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_D 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 0.000 177.608 177.584 0.039 0.000 1.274 1 A CA 0.000 52.051 52.037 0.023 0.000 0.836 1 A CB 0.000 19.009 19.000 0.014 0.000 0.831 2 D N 0.959 121.393 120.400 0.056 0.000 2.425 2 D HA 0.295 4.935 4.640 -0.000 0.000 0.247 2 D C 0.803 177.186 176.300 0.138 0.000 1.147 2 D CA 1.093 55.159 54.000 0.110 0.000 0.879 2 D CB 0.547 41.437 40.800 0.149 0.000 1.179 2 D HN 0.570 nan 8.370 nan 0.000 0.456 3 N N 1.875 120.688 118.700 0.189 0.000 2.575 3 N HA 0.087 4.827 4.740 -0.000 0.000 0.258 3 N C -0.260 175.413 175.510 0.271 0.000 1.019 3 N CA -0.418 52.738 53.050 0.177 0.000 0.909 3 N CB 0.471 39.000 38.487 0.070 0.000 1.728 3 N HN 0.171 nan 8.380 nan 0.000 0.604 4 R N 1.842 122.412 120.500 0.115 0.000 2.390 4 R HA 0.197 4.537 4.340 -0.000 0.000 0.291 4 R C -0.139 176.017 176.300 -0.240 0.000 1.070 4 R CA -0.389 55.684 56.100 -0.044 0.000 1.014 4 R CB 1.099 31.356 30.300 -0.071 0.000 1.007 4 R HN 0.178 nan 8.270 nan 0.000 0.466 5 R N 4.243 124.378 120.500 -0.608 0.000 2.449 5 R HA 0.080 4.420 4.340 -0.000 0.000 0.296 5 R C -2.110 173.931 176.300 -0.431 0.000 1.047 5 R CA -1.259 54.148 56.100 -1.155 0.000 1.018 5 R CB 0.487 30.254 30.300 -0.888 0.000 0.962 5 R HN 0.347 nan 8.270 nan 0.000 0.428 6 P HA 0.127 nan 4.420 nan 0.000 0.280 6 P C -0.746 176.455 177.300 -0.165 0.000 1.244 6 P CA -0.116 62.842 63.100 -0.236 0.000 0.784 6 P CB 0.906 32.466 31.700 -0.233 0.000 0.913 7 I N 3.080 123.518 120.570 -0.220 0.000 2.433 7 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 7 I C 0.217 176.254 176.117 -0.133 0.000 1.001 7 I CA -0.953 60.325 61.300 -0.037 0.000 1.119 7 I CB 1.290 39.278 38.000 -0.020 0.000 1.289 7 I HN 0.320 nan 8.210 nan 0.000 0.438 8 W N 5.082 126.381 121.300 -0.002 0.000 2.332 8 W HA 0.180 4.840 4.660 0.000 0.000 0.306 8 W C 0.455 177.021 176.519 0.078 0.000 1.149 8 W CA -0.418 56.971 57.345 0.072 0.000 1.271 8 W CB 1.220 30.775 29.460 0.158 0.000 1.243 8 W HN 0.462 nan 8.180 nan 0.000 0.459 9 N N 4.768 123.581 118.700 0.188 0.000 2.678 9 N HA 0.232 4.972 4.740 -0.000 0.000 0.231 9 N C -1.259 174.357 175.510 0.177 0.000 1.038 9 N CA -0.140 52.999 53.050 0.148 0.000 0.932 9 N CB 0.104 38.639 38.487 0.080 0.000 1.176 9 N HN 0.290 nan 8.380 nan 0.000 0.511 10 L N 2.264 123.608 121.223 0.201 0.000 2.261 10 L HA 0.487 4.826 4.340 -0.000 0.000 0.289 10 L C 0.698 177.619 176.870 0.086 0.000 1.059 10 L CA -0.698 54.245 54.840 0.172 0.000 0.816 10 L CB 1.109 43.279 42.059 0.184 0.000 1.191 10 L HN 0.419 nan 8.230 nan 0.000 0.431 11 A N 3.549 126.365 122.820 -0.007 0.000 2.492 11 A HA 0.072 4.392 4.320 -0.000 0.000 0.254 11 A C -0.064 177.361 177.584 -0.265 0.000 1.091 11 A CA -0.117 51.793 52.037 -0.211 0.000 0.768 11 A CB -0.239 18.502 19.000 -0.431 0.000 1.028 11 A HN 0.793 nan 8.150 nan 0.000 0.498 12 H N 3.217 122.063 119.070 -0.372 0.000 2.580 12 H HA 0.290 4.846 4.556 -0.000 0.000 0.322 12 H C 0.448 175.541 175.328 -0.391 0.000 1.082 12 H CA 0.035 55.915 56.048 -0.279 0.000 1.383 12 H CB 0.328 29.995 29.762 -0.159 0.000 1.450 12 H HN 0.865 nan 8.280 nan 0.000 0.505 13 M N 4.545 123.728 119.600 -0.694 0.000 2.632 13 M HA -0.199 4.281 4.480 -0.000 0.000 0.184 13 M C -1.720 174.294 176.300 -0.476 0.000 0.976 13 M CA 0.189 55.084 55.300 -0.675 0.000 0.612 13 M CB -0.852 31.113 32.600 -1.059 0.000 1.181 13 M HN 0.256 nan 8.290 nan 0.000 0.840 14 V N 2.996 122.682 119.914 -0.380 0.000 2.270 14 V HA 0.192 4.312 4.120 -0.000 0.000 0.263 14 V C 0.740 176.786 176.094 -0.080 0.000 1.066 14 V CA 0.137 62.294 62.300 -0.240 0.000 0.857 14 V CB 1.028 32.692 31.823 -0.265 0.000 1.099 14 V HN 0.694 nan 8.190 nan 0.000 0.476 15 N N 2.151 120.805 118.700 -0.078 0.000 2.197 15 N HA 0.371 5.111 4.740 -0.000 0.000 0.201 15 N C 0.524 176.063 175.510 0.049 0.000 1.148 15 N CA 0.083 53.034 53.050 -0.165 0.000 0.883 15 N CB 0.885 39.317 38.487 -0.091 0.000 1.012 15 N HN 0.683 nan 8.380 nan 0.000 0.507 16 A N 0.474 123.395 122.820 0.168 0.000 2.330 16 A HA 0.403 4.723 4.320 -0.000 0.000 0.327 16 A C 1.247 178.955 177.584 0.206 0.000 1.155 16 A CA -0.722 51.396 52.037 0.135 0.000 0.803 16 A CB 0.787 19.792 19.000 0.008 0.000 1.208 16 A HN 0.042 nan 8.150 nan 0.000 0.477 17 V N 0.006 119.993 119.914 0.122 0.000 2.626 17 V HA -0.049 4.071 4.120 -0.000 0.000 0.252 17 V C 2.137 178.221 176.094 -0.016 0.000 1.067 17 V CA 2.185 64.481 62.300 -0.008 0.000 1.081 17 V CB -1.400 30.385 31.823 -0.063 0.000 0.686 17 V HN 1.051 nan 8.190 nan 0.000 0.468 18 A N 0.045 122.862 122.820 -0.004 0.000 2.019 18 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 18 A C 2.207 179.785 177.584 -0.010 0.000 1.164 18 A CA 1.932 53.964 52.037 -0.008 0.000 0.644 18 A CB -0.559 18.428 19.000 -0.022 0.000 0.805 18 A HN 0.699 nan 8.150 nan 0.000 0.449 19 Q N -0.788 119.033 119.800 0.035 0.000 2.378 19 Q HA 0.071 4.411 4.340 -0.000 0.000 0.205 19 Q C 1.739 177.805 176.000 0.109 0.000 0.954 19 Q CA 0.586 56.452 55.803 0.105 0.000 0.901 19 Q CB -0.181 28.720 28.738 0.271 0.000 0.981 19 Q HN 0.751 nan 8.270 nan 0.000 0.483 20 I N 1.883 122.411 120.570 -0.069 0.000 2.099 20 I HA -0.234 3.936 4.170 -0.000 0.000 0.239 20 I C -0.655 175.229 176.117 -0.389 0.000 1.066 20 I CA 1.217 62.335 61.300 -0.302 0.000 1.324 20 I CB -1.295 36.336 38.000 -0.615 0.000 1.037 20 I HN 0.155 nan 8.210 nan 0.000 0.401 21 P HA -0.143 nan 4.420 nan 0.000 0.218 21 P C 0.749 177.959 177.300 -0.151 0.000 1.149 21 P CA 1.581 64.535 63.100 -0.244 0.000 0.817 21 P CB -0.096 31.580 31.700 -0.040 0.000 0.785 22 D N -0.589 119.724 120.400 -0.145 0.000 2.117 22 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 22 D C 1.821 177.966 176.300 -0.260 0.000 0.987 22 D CA 1.074 54.947 54.000 -0.212 0.000 0.829 22 D CB -0.904 39.724 40.800 -0.287 0.000 0.961 22 D HN 0.163 nan 8.370 nan 0.000 0.460 23 F N 0.484 120.344 119.950 -0.150 0.000 2.259 23 F HA 0.048 4.575 4.527 0.000 0.000 0.298 23 F C 2.313 178.017 175.800 -0.161 0.000 1.088 23 F CA 0.405 58.322 58.000 -0.139 0.000 1.358 23 F CB -0.332 38.576 39.000 -0.153 0.000 1.040 23 F HN -0.081 nan 8.300 nan 0.000 0.505 24 L N -0.381 120.802 121.223 -0.068 0.000 2.046 24 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 24 L C 1.965 178.798 176.870 -0.062 0.000 1.077 24 L CA 1.244 56.007 54.840 -0.129 0.000 0.747 24 L CB -0.670 41.239 42.059 -0.252 0.000 0.896 24 L HN 0.050 nan 8.230 nan 0.000 0.432 25 D N 0.173 120.531 120.400 -0.069 0.000 2.178 25 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 25 D C 2.339 178.617 176.300 -0.037 0.000 0.980 25 D CA 1.065 55.035 54.000 -0.051 0.000 0.842 25 D CB -0.121 40.641 40.800 -0.064 0.000 0.948 25 D HN 0.273 nan 8.370 nan 0.000 0.472 26 L N -0.864 120.336 121.223 -0.039 0.000 2.275 26 L HA 0.040 4.380 4.340 -0.000 0.000 0.215 26 L C 1.655 178.542 176.870 0.029 0.000 1.119 26 L CA 1.053 55.890 54.840 -0.005 0.000 0.790 26 L CB -0.052 42.009 42.059 0.003 0.000 0.919 26 L HN 0.231 nan 8.230 nan 0.000 0.443 27 G N -1.346 107.470 108.800 0.027 0.000 2.273 27 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.162 27 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.162 27 G C 0.272 175.194 174.900 0.036 0.000 1.006 27 G CA -0.248 44.868 45.100 0.027 0.000 0.704 27 G HN 0.379 nan 8.290 nan 0.000 0.487 28 A N 0.721 123.571 122.820 0.051 0.000 2.445 28 A HA 0.538 4.858 4.320 -0.000 0.000 0.242 28 A C 1.186 178.797 177.584 0.045 0.000 1.075 28 A CA 0.803 52.874 52.037 0.058 0.000 0.777 28 A CB 0.228 19.262 19.000 0.056 0.000 1.013 28 A HN 0.937 nan 8.150 nan 0.000 0.493 29 N N 0.311 119.065 118.700 0.091 0.000 2.236 29 N HA 0.423 5.163 4.740 -0.000 0.000 0.196 29 N C -0.207 175.522 175.510 0.365 0.000 1.114 29 N CA 0.600 53.745 53.050 0.158 0.000 0.859 29 N CB 0.348 38.852 38.487 0.028 0.000 0.982 29 N HN 0.842 nan 8.380 nan 0.000 0.493 30 A N 0.309 123.321 122.820 0.320 0.000 2.610 30 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 30 A C -1.579 176.162 177.584 0.261 0.000 1.086 30 A CA -0.906 51.413 52.037 0.469 0.000 0.677 30 A CB 1.171 20.459 19.000 0.479 0.000 1.278 30 A HN 0.250 nan 8.150 nan 0.000 0.414 31 L N -1.464 119.965 121.223 0.343 0.000 2.409 31 L HA 0.880 5.220 4.340 -0.000 0.000 0.255 31 L C -1.127 175.842 176.870 0.164 0.000 1.027 31 L CA -0.544 54.371 54.840 0.125 0.000 0.834 31 L CB 2.103 44.143 42.059 -0.031 0.000 1.426 31 L HN 0.883 nan 8.230 nan 0.000 0.411 32 E N 1.533 121.752 120.200 0.031 0.000 2.210 32 E HA 0.741 5.091 4.350 -0.000 0.000 0.266 32 E C -1.789 174.779 176.600 -0.053 0.000 0.883 32 E CA -0.533 55.878 56.400 0.020 0.000 0.761 32 E CB 2.351 32.043 29.700 -0.012 0.000 1.156 32 E HN 0.917 nan 8.360 nan 0.000 0.412 33 A N 4.256 127.058 122.820 -0.030 0.000 2.386 33 A HA 0.465 4.785 4.320 -0.000 0.000 0.311 33 A C -0.988 176.521 177.584 -0.124 0.000 1.068 33 A CA -0.823 51.113 52.037 -0.169 0.000 0.743 33 A CB 1.103 19.893 19.000 -0.349 0.000 1.258 33 A HN 0.613 nan 8.150 nan 0.000 0.429 34 D N 1.987 122.300 120.400 -0.145 0.000 2.313 34 D HA 0.363 5.003 4.640 -0.000 0.000 0.239 34 D C -0.608 175.638 176.300 -0.089 0.000 1.142 34 D CA 0.117 54.064 54.000 -0.087 0.000 0.847 34 D CB 1.783 42.539 40.800 -0.073 0.000 1.082 34 D HN 0.149 nan 8.370 nan 0.000 0.480 35 V N 3.090 122.948 119.914 -0.094 0.000 2.333 35 V HA 0.186 4.306 4.120 -0.000 0.000 0.274 35 V C 0.946 176.946 176.094 -0.157 0.000 1.028 35 V CA -0.563 61.587 62.300 -0.249 0.000 0.851 35 V CB 1.116 32.658 31.823 -0.467 0.000 1.000 35 V HN 0.590 nan 8.190 nan 0.000 0.456 36 T N 2.143 116.613 114.554 -0.140 0.000 2.899 36 T HA 0.712 5.062 4.350 -0.000 0.000 0.284 36 T C -0.762 173.803 174.700 -0.226 0.000 1.004 36 T CA -0.326 61.784 62.100 0.017 0.000 1.043 36 T CB 1.039 70.013 68.868 0.176 0.000 1.013 36 T HN 0.199 nan 8.240 nan 0.000 0.518 37 F N 0.388 120.333 119.950 -0.009 0.000 2.551 37 F HA 0.546 5.073 4.527 0.000 0.000 0.316 37 F C 0.343 176.140 175.800 -0.005 0.000 1.089 37 F CA -1.061 56.926 58.000 -0.022 0.000 0.915 37 F CB 2.542 41.535 39.000 -0.012 0.000 1.186 37 F HN 0.580 nan 8.300 nan 0.000 0.456 38 K N 2.798 123.274 120.400 0.126 0.000 2.464 38 K HA 0.567 4.887 4.320 -0.000 0.000 0.252 38 K C 0.553 177.221 176.600 0.114 0.000 1.000 38 K CA 0.151 56.492 56.287 0.090 0.000 0.951 38 K CB 0.726 33.238 32.500 0.020 0.000 1.183 38 K HN 0.858 nan 8.250 nan 0.000 0.445 39 G N 2.350 111.217 108.800 0.111 0.000 2.611 39 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.301 39 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.301 39 G C 0.573 175.566 174.900 0.156 0.000 1.233 39 G CA 0.559 45.713 45.100 0.090 0.000 0.993 39 G HN 0.841 nan 8.290 nan 0.000 0.553 40 S N -0.722 115.058 115.700 0.134 0.000 2.593 40 S HA 0.428 4.898 4.470 -0.000 0.000 0.217 40 S C 0.675 175.483 174.600 0.345 0.000 0.966 40 S CA 0.861 59.173 58.200 0.187 0.000 0.914 40 S CB 0.403 63.651 63.200 0.079 0.000 0.776 40 S HN 1.194 nan 8.310 nan 0.000 0.523 41 V N 5.231 125.301 119.914 0.261 0.000 2.348 41 V HA 0.365 4.485 4.120 -0.000 0.000 0.270 41 V C -2.274 173.762 176.094 -0.097 0.000 1.037 41 V CA -2.171 60.197 62.300 0.113 0.000 0.872 41 V CB 0.878 32.723 31.823 0.037 0.000 1.002 41 V HN 0.278 nan 8.190 nan 0.000 0.464 42 P HA 0.108 nan 4.420 nan 0.000 0.271 42 P C 0.420 177.439 177.300 -0.468 0.000 1.233 42 P CA 0.283 62.745 63.100 -1.063 0.000 0.764 42 P CB 1.533 32.604 31.700 -1.049 0.000 0.825 43 T N 1.740 116.008 114.554 -0.476 0.000 3.058 43 T HA 0.168 4.518 4.350 -0.000 0.000 0.247 43 T C -0.050 174.455 174.700 -0.324 0.000 0.987 43 T CA 0.511 62.398 62.100 -0.356 0.000 1.062 43 T CB -0.155 68.441 68.868 -0.453 0.000 1.048 43 T HN 0.248 nan 8.240 nan 0.000 0.468 44 Y N 1.696 121.993 120.300 -0.005 0.000 2.602 44 Y HA 0.551 5.101 4.550 -0.000 0.000 0.342 44 Y C 0.066 175.993 175.900 0.045 0.000 1.029 44 Y CA -1.257 56.902 58.100 0.098 0.000 1.080 44 Y CB 1.985 40.462 38.460 0.029 0.000 1.284 44 Y HN 0.080 nan 8.280 nan 0.000 0.485 45 T N -0.343 114.379 114.554 0.279 0.000 2.744 45 T HA 0.565 4.915 4.350 -0.000 0.000 0.291 45 T C -1.339 173.484 174.700 0.204 0.000 0.957 45 T CA -0.562 61.552 62.100 0.024 0.000 1.002 45 T CB 0.556 69.147 68.868 -0.461 0.000 0.919 45 T HN 0.615 nan 8.240 nan 0.000 0.468 46 Y N 2.044 122.337 120.300 -0.011 0.000 2.452 46 Y HA 0.273 4.823 4.550 -0.000 0.000 0.323 46 Y C -0.233 175.668 175.900 0.002 0.000 1.244 46 Y CA -0.995 57.114 58.100 0.014 0.000 1.158 46 Y CB 0.782 39.216 38.460 -0.043 0.000 1.332 46 Y HN 0.774 nan 8.280 nan 0.000 0.456 47 H N 3.446 122.097 119.070 -0.698 0.000 2.368 47 H HA 0.489 5.045 4.556 -0.000 0.000 0.311 47 H C 0.708 175.537 175.328 -0.832 0.000 1.042 47 H CA 1.848 57.558 56.048 -0.563 0.000 1.377 47 H CB 0.964 30.495 29.762 -0.384 0.000 1.473 47 H HN 1.267 nan 8.280 nan 0.000 0.593 48 G N 0.686 108.927 108.800 -0.931 0.000 2.746 48 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.685 48 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.685 48 G C -0.151 174.722 174.900 -0.045 0.000 1.350 48 G CA -0.017 44.724 45.100 -0.599 0.000 0.837 48 G HN 0.666 nan 8.290 nan 0.000 0.564 49 T N 0.274 114.827 114.554 -0.002 0.000 2.913 49 T HA 0.733 5.083 4.350 -0.000 0.000 0.287 49 T C -1.272 173.460 174.700 0.054 0.000 1.008 49 T CA -0.408 61.720 62.100 0.045 0.000 1.067 49 T CB 1.638 70.527 68.868 0.035 0.000 0.996 49 T HN 0.818 nan 8.240 nan 0.000 0.513 50 P HA 0.535 nan 4.420 nan 0.000 0.278 50 P C -0.427 176.955 177.300 0.137 0.000 1.258 50 P CA -0.603 62.549 63.100 0.087 0.000 0.811 50 P CB 0.503 32.251 31.700 0.080 0.000 1.063 51 c N -1.625 117.012 118.600 0.061 0.000 3.311 51 c HA 0.487 5.057 4.570 -0.000 0.000 0.366 51 c C -0.618 173.488 174.090 0.027 0.000 1.694 51 c CA -0.858 55.456 56.329 -0.024 0.000 1.244 51 c CB 0.618 42.932 42.510 -0.327 0.000 2.038 51 c HN 0.462 nan 8.230 nan 0.000 0.436 52 D N 0.821 121.239 120.400 0.029 0.000 2.506 52 D HA 0.208 4.848 4.640 -0.000 0.000 0.234 52 D C -0.291 176.088 176.300 0.132 0.000 1.143 52 D CA 0.504 54.574 54.000 0.117 0.000 0.871 52 D CB 0.073 40.959 40.800 0.144 0.000 1.190 52 D HN 0.514 nan 8.370 nan 0.000 0.459 53 F N 1.007 120.994 119.950 0.062 0.000 2.629 53 F HA 0.202 4.729 4.527 -0.000 0.000 0.377 53 F C 1.744 177.611 175.800 0.112 0.000 1.101 53 F CA 1.613 59.656 58.000 0.071 0.000 1.301 53 F CB 0.430 39.468 39.000 0.064 0.000 1.062 53 F HN 0.542 nan 8.300 nan 0.000 0.583 54 G N 3.465 112.011 108.800 -0.424 0.000 2.159 54 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.256 54 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.256 54 G C -0.023 174.870 174.900 -0.013 0.000 0.977 54 G CA -0.292 44.717 45.100 -0.152 0.000 0.652 54 G HN 0.599 nan 8.290 nan 0.000 0.531 55 R N 0.492 120.955 120.500 -0.063 0.000 2.686 55 R HA 0.463 4.803 4.340 -0.000 0.000 0.286 55 R C -1.040 175.215 176.300 -0.074 0.000 0.969 55 R CA -0.980 55.097 56.100 -0.039 0.000 0.898 55 R CB 1.115 31.386 30.300 -0.049 0.000 1.183 55 R HN 0.143 nan 8.270 nan 0.000 0.456 56 D N 0.800 121.171 120.400 -0.049 0.000 2.350 56 D HA 0.081 4.721 4.640 -0.000 0.000 0.249 56 D C 0.608 176.869 176.300 -0.064 0.000 1.119 56 D CA -0.021 53.953 54.000 -0.042 0.000 0.886 56 D CB 1.087 41.882 40.800 -0.009 0.000 1.195 56 D HN 0.472 nan 8.370 nan 0.000 0.437 57 c N 1.460 120.021 118.600 -0.065 0.000 2.799 57 c HA 0.135 4.705 4.570 -0.000 0.000 0.267 57 c C 1.858 175.882 174.090 -0.111 0.000 1.257 57 c CA -0.395 55.865 56.329 -0.115 0.000 1.702 57 c CB -1.003 41.464 42.510 -0.072 0.000 1.934 57 c HN 0.651 nan 8.230 nan 0.000 0.594 58 I N -2.613 117.963 120.570 0.011 0.000 3.856 58 I HA 0.347 4.517 4.170 -0.000 0.000 0.330 58 I C 0.280 176.594 176.117 0.327 0.000 1.546 58 I CA -0.236 61.165 61.300 0.169 0.000 1.132 58 I CB -0.212 37.939 38.000 0.252 0.000 1.157 58 I HN -0.077 nan 8.210 nan 0.000 0.440 59 R N 3.056 123.676 120.500 0.200 0.000 2.694 59 R HA 0.300 4.640 4.340 -0.000 0.000 0.268 59 R C -0.786 175.723 176.300 0.349 0.000 1.061 59 R CA 0.175 56.407 56.100 0.221 0.000 1.133 59 R CB 0.540 30.891 30.300 0.086 0.000 1.020 59 R HN 0.647 nan 8.270 nan 0.000 0.475 60 W N -0.245 121.082 121.300 0.045 0.000 2.989 60 W HA 0.551 5.211 4.660 -0.000 0.000 0.344 60 W C -1.299 175.226 176.519 0.009 0.000 1.233 60 W CA -0.669 56.693 57.345 0.028 0.000 1.187 60 W CB 1.025 30.457 29.460 -0.047 0.000 1.443 60 W HN 0.481 nan 8.180 nan 0.000 0.573 61 E N 0.103 120.433 120.200 0.217 0.000 2.430 61 E HA 0.462 4.812 4.350 -0.000 0.000 0.279 61 E C -1.850 174.980 176.600 0.383 0.000 1.003 61 E CA -0.820 55.586 56.400 0.009 0.000 0.801 61 E CB 1.303 31.129 29.700 0.209 0.000 1.313 61 E HN 0.256 nan 8.360 nan 0.000 0.459 62 Y N 2.248 122.846 120.300 0.497 0.000 2.511 62 Y HA 0.084 4.634 4.550 -0.000 0.000 0.332 62 Y C 1.351 177.453 175.900 0.338 0.000 1.177 62 Y CA 0.223 58.579 58.100 0.427 0.000 1.422 62 Y CB 0.187 38.811 38.460 0.274 0.000 1.271 62 Y HN 0.620 nan 8.280 nan 0.000 0.550 63 F N 3.684 123.782 119.950 0.247 0.000 2.095 63 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 63 F C 2.068 177.976 175.800 0.180 0.000 1.104 63 F CA 2.165 60.255 58.000 0.149 0.000 1.232 63 F CB -0.448 38.556 39.000 0.007 0.000 0.987 63 F HN 0.714 nan 8.300 nan 0.000 0.475 64 N N 0.774 119.482 118.700 0.013 0.000 2.104 64 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 64 N C 1.785 177.267 175.510 -0.048 0.000 1.024 64 N CA 2.234 55.212 53.050 -0.122 0.000 0.853 64 N CB -1.311 37.158 38.487 -0.031 0.000 1.008 64 N HN 0.322 nan 8.380 nan 0.000 0.424 65 V N 0.431 120.401 119.914 0.093 0.000 2.427 65 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 65 V C 2.191 178.330 176.094 0.075 0.000 1.051 65 V CA 1.388 63.747 62.300 0.098 0.000 1.048 65 V CB -0.969 30.972 31.823 0.196 0.000 0.666 65 V HN 0.123 nan 8.190 nan 0.000 0.456 66 F N 0.376 120.321 119.950 -0.008 0.000 2.102 66 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 66 F C 2.089 177.814 175.800 -0.126 0.000 1.105 66 F CA 1.662 59.639 58.000 -0.038 0.000 1.239 66 F CB -0.172 38.843 39.000 0.025 0.000 0.991 66 F HN 0.014 nan 8.300 nan 0.000 0.474 67 L N -0.031 121.135 121.223 -0.095 0.000 2.046 67 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 67 L C 2.445 179.264 176.870 -0.084 0.000 1.077 67 L CA 1.549 56.274 54.840 -0.191 0.000 0.747 67 L CB -0.757 41.111 42.059 -0.317 0.000 0.896 67 L HN 0.078 nan 8.230 nan 0.000 0.432 68 K N -0.542 119.806 120.400 -0.087 0.000 2.103 68 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 68 K C 2.069 178.632 176.600 -0.062 0.000 1.048 68 K CA 1.846 58.096 56.287 -0.062 0.000 0.930 68 K CB -0.259 32.209 32.500 -0.054 0.000 0.716 68 K HN 0.325 nan 8.250 nan 0.000 0.444 69 T N 1.940 116.434 114.554 -0.101 0.000 2.812 69 T HA -0.038 4.312 4.350 -0.000 0.000 0.264 69 T C 1.881 176.600 174.700 0.031 0.000 1.042 69 T CA 0.790 62.849 62.100 -0.068 0.000 1.140 69 T CB -0.120 68.669 68.868 -0.131 0.000 0.870 69 T HN 0.105 nan 8.240 nan 0.000 0.445 70 L N 0.737 121.878 121.223 -0.135 0.000 2.079 70 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 70 L C 2.872 179.899 176.870 0.261 0.000 1.081 70 L CA 1.346 56.186 54.840 -0.001 0.000 0.752 70 L CB -0.550 41.239 42.059 -0.450 0.000 0.896 70 L HN 0.194 nan 8.230 nan 0.000 0.433 71 R N 0.670 121.280 120.500 0.184 0.000 2.083 71 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 71 R C 2.120 178.411 176.300 -0.014 0.000 1.137 71 R CA 1.918 57.989 56.100 -0.050 0.000 0.951 71 R CB -0.137 30.059 30.300 -0.172 0.000 0.851 71 R HN 0.428 nan 8.270 nan 0.000 0.434 72 E N -0.716 119.475 120.200 -0.016 0.000 2.085 72 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 72 E C 1.708 178.275 176.600 -0.056 0.000 0.994 72 E CA 1.444 57.789 56.400 -0.092 0.000 0.801 72 E CB -0.154 29.425 29.700 -0.201 0.000 0.743 72 E HN 0.480 nan 8.360 nan 0.000 0.453 73 Y N 0.289 120.659 120.300 0.117 0.000 2.616 73 Y HA -0.059 4.491 4.550 -0.000 0.000 0.296 73 Y C 1.837 177.900 175.900 0.270 0.000 1.154 73 Y CA 1.227 59.452 58.100 0.208 0.000 1.325 73 Y CB 0.392 39.029 38.460 0.296 0.000 1.007 73 Y HN 0.082 nan 8.280 nan 0.000 0.542 74 T N -5.357 109.409 114.554 0.354 0.000 3.209 74 T HA 0.184 4.534 4.350 -0.000 0.000 0.295 74 T C 0.190 175.041 174.700 0.252 0.000 0.977 74 T CA -0.257 62.035 62.100 0.319 0.000 0.922 74 T CB -0.186 68.778 68.868 0.160 0.000 1.152 74 T HN -0.134 nan 8.240 nan 0.000 0.527 75 T N 4.912 119.562 114.554 0.159 0.000 2.801 75 T HA 0.452 4.802 4.350 -0.000 0.000 0.306 75 T C -2.824 171.610 174.700 -0.443 0.000 1.020 75 T CA -1.349 60.678 62.100 -0.120 0.000 0.948 75 T CB 1.173 69.964 68.868 -0.128 0.000 0.962 75 T HN 0.041 nan 8.240 nan 0.000 0.465 76 P HA 0.117 nan 4.420 nan 0.000 0.261 76 P C 1.174 178.112 177.300 -0.603 0.000 1.173 76 P CA 1.187 63.478 63.100 -1.349 0.000 0.760 76 P CB 0.295 31.521 31.700 -0.791 0.000 0.783 77 G N 2.012 110.553 108.800 -0.431 0.000 2.253 77 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 77 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 77 G C 0.570 175.404 174.900 -0.110 0.000 0.998 77 G CA -0.210 44.780 45.100 -0.184 0.000 0.621 77 G HN 0.681 nan 8.290 nan 0.000 0.524 78 N N 1.192 119.825 118.700 -0.112 0.000 2.479 78 N HA 0.368 5.108 4.740 -0.000 0.000 0.257 78 N C 1.759 177.259 175.510 -0.016 0.000 1.232 78 N CA 0.740 53.754 53.050 -0.060 0.000 0.920 78 N CB 0.994 39.444 38.487 -0.061 0.000 1.105 78 N HN 0.551 nan 8.380 nan 0.000 0.444 79 A N 4.166 126.958 122.820 -0.048 0.000 1.978 79 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 79 A C 1.793 179.346 177.584 -0.052 0.000 1.170 79 A CA 1.462 53.475 52.037 -0.040 0.000 0.636 79 A CB -0.118 18.848 19.000 -0.057 0.000 0.810 79 A HN 0.795 nan 8.150 nan 0.000 0.448 80 K N -1.803 118.517 120.400 -0.133 0.000 2.404 80 K HA 0.071 4.391 4.320 -0.000 0.000 0.194 80 K C -0.104 176.439 176.600 -0.094 0.000 1.023 80 K CA -0.386 55.731 56.287 -0.284 0.000 1.094 80 K CB 0.018 32.057 32.500 -0.769 0.000 0.841 80 K HN 0.522 nan 8.250 nan 0.000 0.523 81 Y N 2.845 123.092 120.300 -0.088 0.000 2.810 81 Y HA -0.116 4.434 4.550 -0.000 0.000 0.332 81 Y C -0.296 175.664 175.900 0.100 0.000 1.243 81 Y CA 0.014 58.122 58.100 0.012 0.000 1.537 81 Y CB 0.409 38.858 38.460 -0.017 0.000 1.265 81 Y HN -0.130 nan 8.280 nan 0.000 0.572 82 R N 6.177 126.433 120.500 -0.406 0.000 2.388 82 R HA 0.100 4.440 4.340 -0.000 0.000 0.314 82 R C 0.408 176.309 176.300 -0.665 0.000 0.959 82 R CA -0.332 55.555 56.100 -0.355 0.000 0.851 82 R CB 1.066 31.401 30.300 0.058 0.000 1.168 82 R HN 0.878 nan 8.270 nan 0.000 0.472 83 D N 1.842 121.806 120.400 -0.727 0.000 2.317 83 D HA -0.070 4.570 4.640 -0.000 0.000 0.211 83 D C 1.105 177.338 176.300 -0.112 0.000 0.966 83 D CA 0.669 54.367 54.000 -0.503 0.000 0.876 83 D CB 0.167 40.854 40.800 -0.189 0.000 0.927 83 D HN 0.648 nan 8.370 nan 0.000 0.519 84 G N -0.464 108.305 108.800 -0.052 0.000 2.920 84 G HA2 0.001 3.961 3.960 -0.000 0.000 0.208 84 G HA3 0.001 3.961 3.960 -0.000 0.000 0.208 84 G C -0.141 174.870 174.900 0.185 0.000 1.159 84 G CA -0.370 44.763 45.100 0.055 0.000 0.784 84 G HN 0.209 nan 8.290 nan 0.000 0.535 85 F N 2.553 122.509 119.950 0.010 0.000 2.313 85 F HA 0.462 4.989 4.527 -0.000 0.000 0.369 85 F C 0.871 176.796 175.800 0.209 0.000 1.109 85 F CA -2.823 55.233 58.000 0.093 0.000 1.132 85 F CB 0.592 39.634 39.000 0.069 0.000 1.291 85 F HN 0.114 nan 8.300 nan 0.000 0.496 86 I N 3.861 124.652 120.570 0.369 0.000 4.227 86 I HA 0.436 4.606 4.170 -0.000 0.000 0.334 86 I C -1.099 175.237 176.117 0.365 0.000 1.341 86 I CA 0.027 61.551 61.300 0.375 0.000 1.123 86 I CB 0.770 39.017 38.000 0.411 0.000 1.097 86 I HN 0.411 nan 8.210 nan 0.000 0.399 87 L N 2.014 123.415 121.223 0.297 0.000 2.545 87 L HA 0.566 4.906 4.340 -0.000 0.000 0.258 87 L C -1.911 175.121 176.870 0.270 0.000 0.942 87 L CA -0.648 54.303 54.840 0.186 0.000 0.855 87 L CB 2.410 44.587 42.059 0.197 0.000 1.374 87 L HN 0.217 nan 8.230 nan 0.000 0.411 88 F N 2.584 122.540 119.950 0.010 0.000 2.576 88 F HA 0.840 5.367 4.527 -0.000 0.000 0.313 88 F C -1.336 174.423 175.800 -0.068 0.000 1.078 88 F CA -1.191 56.843 58.000 0.057 0.000 0.921 88 F CB 1.428 40.512 39.000 0.141 0.000 1.232 88 F HN 0.061 nan 8.300 nan 0.000 0.459 89 V N 4.066 124.037 119.914 0.096 0.000 2.394 89 V HA 0.332 4.452 4.120 -0.000 0.000 0.282 89 V C -0.050 176.116 176.094 0.119 0.000 1.031 89 V CA -0.701 61.579 62.300 -0.033 0.000 0.881 89 V CB 1.454 33.218 31.823 -0.099 0.000 0.982 89 V HN 0.701 nan 8.190 nan 0.000 0.451 90 L N 4.289 125.575 121.223 0.105 0.000 2.259 90 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 90 L C 0.074 176.973 176.870 0.048 0.000 1.051 90 L CA -0.393 54.532 54.840 0.141 0.000 0.824 90 L CB 0.912 43.106 42.059 0.225 0.000 1.206 90 L HN 0.572 nan 8.230 nan 0.000 0.429 91 D N 5.168 125.576 120.400 0.014 0.000 2.402 91 D HA 0.220 4.860 4.640 -0.000 0.000 0.235 91 D C -0.424 175.873 176.300 -0.005 0.000 1.226 91 D CA -0.040 53.948 54.000 -0.019 0.000 0.918 91 D CB 0.444 41.209 40.800 -0.058 0.000 1.043 91 D HN 0.288 nan 8.370 nan 0.000 0.506 92 L N 4.472 125.689 121.223 -0.011 0.000 2.260 92 L HA 0.257 4.597 4.340 -0.000 0.000 0.289 92 L C 1.020 177.914 176.870 0.040 0.000 1.057 92 L CA -0.564 54.317 54.840 0.069 0.000 0.811 92 L CB 0.983 42.984 42.059 -0.098 0.000 1.184 92 L HN -0.033 nan 8.230 nan 0.000 0.429 93 K N 2.641 123.161 120.400 0.200 0.000 2.333 93 K HA 0.131 4.451 4.320 -0.000 0.000 0.241 93 K C 0.968 177.577 176.600 0.014 0.000 1.193 93 K CA -0.050 56.298 56.287 0.103 0.000 1.142 93 K CB 0.105 32.684 32.500 0.131 0.000 1.731 93 K HN 0.629 nan 8.250 nan 0.000 0.344 94 T N -3.638 110.810 114.554 -0.177 0.000 3.122 94 T HA 0.047 4.396 4.350 -0.000 0.000 0.250 94 T C 1.753 176.445 174.700 -0.014 0.000 1.067 94 T CA 0.148 62.062 62.100 -0.308 0.000 0.966 94 T CB 0.390 69.043 68.868 -0.360 0.000 1.002 94 T HN 0.334 nan 8.240 nan 0.000 0.542 95 G N 1.629 110.420 108.800 -0.015 0.000 2.462 95 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 95 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 95 G C 1.460 176.371 174.900 0.019 0.000 1.121 95 G CA 0.681 45.775 45.100 -0.011 0.000 0.758 95 G HN 0.578 nan 8.290 nan 0.000 0.559 96 S N 0.111 115.819 115.700 0.013 0.000 2.577 96 S HA 0.349 4.819 4.470 -0.000 0.000 0.219 96 S C 0.696 175.296 174.600 -0.000 0.000 0.962 96 S CA -0.480 57.727 58.200 0.011 0.000 0.921 96 S CB 0.102 63.311 63.200 0.015 0.000 0.789 96 S HN 0.188 nan 8.310 nan 0.000 0.497 97 L N 2.860 124.071 121.223 -0.021 0.000 2.426 97 L HA 0.225 4.565 4.340 -0.000 0.000 0.271 97 L C 1.006 177.840 176.870 -0.060 0.000 1.169 97 L CA -0.468 54.324 54.840 -0.080 0.000 0.836 97 L CB 0.510 42.441 42.059 -0.213 0.000 1.112 97 L HN 0.262 nan 8.230 nan 0.000 0.465 98 S N 1.435 117.098 115.700 -0.061 0.000 2.600 98 S HA 0.076 4.546 4.470 -0.000 0.000 0.265 98 S C 0.950 175.495 174.600 -0.091 0.000 1.325 98 S CA -0.718 57.451 58.200 -0.052 0.000 1.002 98 S CB 0.818 63.995 63.200 -0.039 0.000 0.921 98 S HN 0.586 nan 8.310 nan 0.000 0.554 99 N N 1.589 120.245 118.700 -0.074 0.000 2.137 99 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 99 N C 0.811 176.248 175.510 -0.122 0.000 1.017 99 N CA 1.661 54.649 53.050 -0.104 0.000 0.859 99 N CB -0.662 37.783 38.487 -0.070 0.000 1.002 99 N HN 0.683 nan 8.380 nan 0.000 0.428 100 D N 0.290 120.639 120.400 -0.086 0.000 2.347 100 D HA -0.038 4.602 4.640 -0.000 0.000 0.215 100 D C 1.366 177.618 176.300 -0.079 0.000 0.976 100 D CA 0.502 54.459 54.000 -0.073 0.000 0.884 100 D CB -0.056 40.716 40.800 -0.046 0.000 0.915 100 D HN 0.433 nan 8.370 nan 0.000 0.526 101 Q N -0.299 119.441 119.800 -0.100 0.000 2.408 101 Q HA 0.059 4.399 4.340 -0.000 0.000 0.205 101 Q C 1.956 177.872 176.000 -0.140 0.000 0.919 101 Q CA 0.002 55.748 55.803 -0.094 0.000 0.932 101 Q CB 0.795 29.486 28.738 -0.079 0.000 1.058 101 Q HN 0.110 nan 8.270 nan 0.000 0.517 102 V N 0.805 120.590 119.914 -0.215 0.000 2.244 102 V HA -0.271 3.849 4.120 -0.000 0.000 0.244 102 V C 2.297 178.303 176.094 -0.147 0.000 1.042 102 V CA 1.921 64.051 62.300 -0.283 0.000 1.006 102 V CB -0.485 31.046 31.823 -0.487 0.000 0.641 102 V HN 0.312 nan 8.190 nan 0.000 0.446 103 R N 0.373 120.791 120.500 -0.136 0.000 2.094 103 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 103 R C -0.017 176.218 176.300 -0.109 0.000 1.137 103 R CA 2.323 58.361 56.100 -0.102 0.000 0.943 103 R CB -1.429 28.829 30.300 -0.070 0.000 0.850 103 R HN 0.426 nan 8.270 nan 0.000 0.433 104 P HA -0.097 nan 4.420 nan 0.000 0.218 104 P C 0.725 178.004 177.300 -0.034 0.000 1.148 104 P CA 1.820 64.893 63.100 -0.046 0.000 0.822 104 P CB -0.086 31.602 31.700 -0.020 0.000 0.784 105 A N -0.016 122.784 122.820 -0.033 0.000 1.902 105 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 105 A C 2.513 179.996 177.584 -0.169 0.000 1.181 105 A CA 2.108 54.200 52.037 0.091 0.000 0.623 105 A CB -1.900 17.128 19.000 0.047 0.000 0.818 105 A HN 0.278 nan 8.150 nan 0.000 0.443 106 G N -0.531 107.810 108.800 -0.765 0.000 2.418 106 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 106 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 106 G C 1.427 176.081 174.900 -0.410 0.000 1.158 106 G CA 1.028 45.229 45.100 -1.498 0.000 0.771 106 G HN 0.658 nan 8.290 nan 0.000 0.545 107 E N 0.572 120.648 120.200 -0.208 0.000 2.051 107 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 107 E C 2.474 179.058 176.600 -0.027 0.000 0.991 107 E CA 0.970 57.318 56.400 -0.087 0.000 0.799 107 E CB -0.068 29.601 29.700 -0.052 0.000 0.748 107 E HN 0.263 nan 8.360 nan 0.000 0.449 108 N N 0.373 119.088 118.700 0.025 0.000 2.188 108 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 108 N C 1.910 177.539 175.510 0.198 0.000 1.018 108 N CA 0.741 53.855 53.050 0.107 0.000 0.858 108 N CB -0.231 38.344 38.487 0.146 0.000 0.989 108 N HN 0.006 nan 8.380 nan 0.000 0.426 109 V N 1.587 121.661 119.914 0.266 0.000 2.358 109 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 109 V C 2.426 178.760 176.094 0.402 0.000 1.047 109 V CA 1.688 64.278 62.300 0.483 0.000 1.035 109 V CB -0.943 31.303 31.823 0.704 0.000 0.658 109 V HN 0.271 nan 8.190 nan 0.000 0.452 110 A N 0.087 122.992 122.820 0.142 0.000 1.865 110 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 110 A C 2.281 179.841 177.584 -0.040 0.000 1.191 110 A CA 2.241 54.094 52.037 -0.307 0.000 0.623 110 A CB -0.494 18.074 19.000 -0.721 0.000 0.826 110 A HN 0.557 nan 8.150 nan 0.000 0.444 111 K N -0.600 119.806 120.400 0.009 0.000 2.057 111 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 111 K C 2.037 178.677 176.600 0.067 0.000 1.049 111 K CA 1.349 57.660 56.287 0.040 0.000 0.931 111 K CB -0.163 32.360 32.500 0.038 0.000 0.714 111 K HN 0.425 nan 8.250 nan 0.000 0.440 112 E N 1.070 121.334 120.200 0.107 0.000 2.051 112 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 112 E C 2.156 178.756 176.600 -0.001 0.000 0.991 112 E CA 1.051 57.488 56.400 0.063 0.000 0.799 112 E CB -0.171 29.630 29.700 0.169 0.000 0.748 112 E HN 0.294 nan 8.360 nan 0.000 0.449 113 L N 0.285 121.540 121.223 0.054 0.000 2.017 113 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 113 L C 2.645 179.554 176.870 0.064 0.000 1.073 113 L CA 0.542 55.343 54.840 -0.064 0.000 0.745 113 L CB -0.384 41.567 42.059 -0.180 0.000 0.894 113 L HN 0.139 nan 8.230 nan 0.000 0.432 114 L N -0.357 121.005 121.223 0.233 0.000 1.989 114 L HA -0.287 4.053 4.340 -0.000 0.000 0.211 114 L C 2.637 179.571 176.870 0.105 0.000 1.071 114 L CA 1.887 56.879 54.840 0.254 0.000 0.749 114 L CB -0.476 41.664 42.059 0.136 0.000 0.890 114 L HN 0.253 nan 8.230 nan 0.000 0.431 115 Q N -1.177 118.654 119.800 0.051 0.000 2.046 115 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 115 Q C 1.664 177.660 176.000 -0.007 0.000 0.975 115 Q CA 1.637 57.448 55.803 0.014 0.000 0.836 115 Q CB -0.038 28.703 28.738 0.006 0.000 0.896 115 Q HN 0.584 nan 8.270 nan 0.000 0.428 116 N N -1.373 117.314 118.700 -0.022 0.000 2.368 116 N HA -0.032 4.708 4.740 -0.000 0.000 0.178 116 N C 0.996 176.484 175.510 -0.037 0.000 1.076 116 N CA 0.474 53.494 53.050 -0.050 0.000 0.889 116 N CB 0.376 38.806 38.487 -0.094 0.000 1.040 116 N HN 0.203 nan 8.380 nan 0.000 0.463 117 Y N -0.647 119.547 120.300 -0.176 0.000 2.506 117 Y HA 0.154 4.704 4.550 -0.000 0.000 0.287 117 Y C 1.245 177.069 175.900 -0.126 0.000 1.147 117 Y CA 0.654 58.612 58.100 -0.236 0.000 1.241 117 Y CB -0.009 38.202 38.460 -0.415 0.000 1.279 117 Y HN -0.078 nan 8.280 nan 0.000 0.527 118 W N 1.191 122.438 121.300 -0.088 0.000 3.290 118 W HA 0.175 4.835 4.660 -0.000 0.000 0.287 118 W C 0.648 177.056 176.519 -0.186 0.000 1.288 118 W CA 0.531 57.770 57.345 -0.177 0.000 1.725 118 W CB -1.247 28.184 29.460 -0.049 0.000 1.103 118 W HN 0.282 nan 8.180 nan 0.000 0.670 119 N N 1.948 120.668 118.700 0.033 0.000 2.707 119 N HA -0.332 4.408 4.740 -0.000 0.000 0.253 119 N C -0.292 175.197 175.510 -0.035 0.000 0.998 119 N CA 1.543 54.582 53.050 -0.018 0.000 0.751 119 N CB -1.774 36.682 38.487 -0.050 0.000 0.920 119 N HN 0.366 nan 8.380 nan 0.000 0.539 120 N N -1.529 117.129 118.700 -0.070 0.000 2.721 120 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 120 N C 0.893 176.175 175.510 -0.379 0.000 1.072 120 N CA 1.329 54.206 53.050 -0.288 0.000 0.710 120 N CB -1.339 37.090 38.487 -0.097 0.000 0.993 120 N HN 0.938 nan 8.380 nan 0.000 0.547 121 G N -1.221 107.435 108.800 -0.240 0.000 2.162 121 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 121 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 121 G C -0.309 174.574 174.900 -0.028 0.000 0.976 121 G CA 0.426 45.459 45.100 -0.112 0.000 0.655 121 G HN 0.646 nan 8.290 nan 0.000 0.533 122 N N 0.814 119.498 118.700 -0.028 0.000 2.609 122 N HA 0.460 5.200 4.740 -0.000 0.000 0.234 122 N C 0.386 175.873 175.510 -0.039 0.000 1.001 122 N CA -0.047 52.990 53.050 -0.021 0.000 0.926 122 N CB 0.659 39.139 38.487 -0.013 0.000 1.130 122 N HN 0.370 nan 8.380 nan 0.000 0.510 123 N N 1.000 119.672 118.700 -0.047 0.000 2.714 123 N HA -0.174 4.566 4.740 -0.000 0.000 0.253 123 N C -0.125 175.331 175.510 -0.090 0.000 1.024 123 N CA 0.126 53.133 53.050 -0.072 0.000 0.726 123 N CB -0.491 37.951 38.487 -0.076 0.000 0.908 123 N HN 0.708 nan 8.380 nan 0.000 0.542 124 G N -0.425 108.330 108.800 -0.074 0.000 2.557 124 G HA2 0.578 4.538 3.960 -0.000 0.000 0.292 124 G HA3 0.578 4.538 3.960 -0.000 0.000 0.292 124 G C 0.552 175.327 174.900 -0.207 0.000 1.237 124 G CA 0.053 45.081 45.100 -0.119 0.000 0.978 124 G HN 0.346 nan 8.290 nan 0.000 0.498 125 G N -1.507 106.966 108.800 -0.545 0.000 2.491 125 G HA2 0.381 4.341 3.960 -0.000 0.000 0.242 125 G HA3 0.381 4.341 3.960 -0.000 0.000 0.242 125 G C 0.903 175.758 174.900 -0.075 0.000 1.266 125 G CA -0.189 44.596 45.100 -0.525 0.000 0.844 125 G HN 0.791 nan 8.290 nan 0.000 0.571 126 R N 0.726 121.284 120.500 0.097 0.000 2.334 126 R HA 0.488 4.828 4.340 -0.000 0.000 0.212 126 R C 1.023 177.476 176.300 0.255 0.000 0.897 126 R CA 0.346 56.536 56.100 0.150 0.000 1.056 126 R CB 0.212 30.493 30.300 -0.032 0.000 1.046 126 R HN 0.470 nan 8.270 nan 0.000 0.513 127 A N 1.274 124.285 122.820 0.318 0.000 2.425 127 A HA 0.250 4.570 4.320 -0.000 0.000 0.242 127 A C -0.884 176.747 177.584 0.078 0.000 1.077 127 A CA -0.376 51.794 52.037 0.221 0.000 0.781 127 A CB -0.029 18.997 19.000 0.044 0.000 1.020 127 A HN 0.304 nan 8.150 nan 0.000 0.494 128 Y N -0.052 120.260 120.300 0.020 0.000 2.326 128 Y HA 0.405 4.955 4.550 -0.000 0.000 0.333 128 Y C 0.426 176.061 175.900 -0.443 0.000 1.240 128 Y CA 0.096 58.141 58.100 -0.093 0.000 1.365 128 Y CB 1.046 39.325 38.460 -0.301 0.000 1.289 128 Y HN 0.349 nan 8.280 nan 0.000 0.548 129 V N 2.959 122.764 119.914 -0.181 0.000 2.483 129 V HA 0.355 4.475 4.120 -0.000 0.000 0.297 129 V C -0.768 175.134 176.094 -0.319 0.000 1.027 129 V CA -0.983 60.949 62.300 -0.614 0.000 0.855 129 V CB 1.446 32.944 31.823 -0.542 0.000 0.995 129 V HN 0.459 nan 8.190 nan 0.000 0.424 130 V N 6.126 125.790 119.914 -0.418 0.000 2.370 130 V HA 0.410 4.530 4.120 -0.000 0.000 0.279 130 V C -0.022 175.933 176.094 -0.231 0.000 1.029 130 V CA -0.442 61.624 62.300 -0.390 0.000 0.870 130 V CB 1.566 33.051 31.823 -0.564 0.000 0.984 130 V HN 0.671 nan 8.190 nan 0.000 0.451 131 L N 4.409 125.504 121.223 -0.214 0.000 2.261 131 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 131 L C 0.485 177.389 176.870 0.057 0.000 1.059 131 L CA 0.283 55.085 54.840 -0.065 0.000 0.816 131 L CB 1.190 43.221 42.059 -0.046 0.000 1.191 131 L HN 0.625 nan 8.230 nan 0.000 0.431 132 S N 5.326 121.044 115.700 0.031 0.000 2.448 132 S HA 0.636 5.106 4.470 -0.000 0.000 0.320 132 S C -0.547 174.049 174.600 -0.007 0.000 1.071 132 S CA -0.544 57.715 58.200 0.099 0.000 1.113 132 S CB 0.330 63.595 63.200 0.108 0.000 0.972 132 S HN 0.445 nan 8.310 nan 0.000 0.465 133 L N 7.008 128.237 121.223 0.010 0.000 2.329 133 L HA 0.559 4.899 4.340 -0.000 0.000 0.279 133 L C -1.648 175.147 176.870 -0.125 0.000 1.014 133 L CA -2.103 52.632 54.840 -0.176 0.000 0.814 133 L CB 2.474 44.304 42.059 -0.383 0.000 1.257 133 L HN 0.481 nan 8.230 nan 0.000 0.424 134 P HA 0.092 nan 4.420 nan 0.000 0.261 134 P C -0.705 176.447 177.300 -0.246 0.000 1.352 134 P CA 0.296 63.319 63.100 -0.128 0.000 0.891 134 P CB 0.524 32.176 31.700 -0.081 0.000 1.383 135 D N 0.599 120.753 120.400 -0.410 0.000 2.763 135 D HA 0.119 4.759 4.640 -0.000 0.000 0.235 135 D C 1.236 177.289 176.300 -0.412 0.000 1.334 135 D CA -0.515 53.182 54.000 -0.505 0.000 0.950 135 D CB 1.606 41.784 40.800 -1.036 0.000 1.433 135 D HN -0.095 nan 8.370 nan 0.000 0.580 136 I N 0.745 121.172 120.570 -0.239 0.000 2.756 136 I HA 0.147 4.317 4.170 -0.000 0.000 0.262 136 I C 1.610 177.671 176.117 -0.094 0.000 1.225 136 I CA 0.788 61.993 61.300 -0.158 0.000 1.472 136 I CB 0.036 38.011 38.000 -0.042 0.000 1.094 136 I HN 0.333 nan 8.210 nan 0.000 0.454 137 G N -0.278 108.451 108.800 -0.117 0.000 2.848 137 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.208 137 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.208 137 G C 0.978 175.820 174.900 -0.097 0.000 1.152 137 G CA 0.001 45.091 45.100 -0.017 0.000 0.789 137 G HN 0.637 nan 8.290 nan 0.000 0.531 138 H N -0.343 118.511 119.070 -0.360 0.000 2.610 138 H HA 0.082 4.638 4.556 -0.000 0.000 0.302 138 H C 1.560 176.615 175.328 -0.455 0.000 1.063 138 H CA -0.446 55.345 56.048 -0.428 0.000 1.159 138 H CB 0.182 29.706 29.762 -0.397 0.000 1.427 138 H HN 0.644 nan 8.280 nan 0.000 0.553 139 Y N 0.014 120.203 120.300 -0.185 0.000 2.315 139 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 139 Y C 1.752 177.685 175.900 0.056 0.000 1.154 139 Y CA 0.420 58.465 58.100 -0.092 0.000 1.229 139 Y CB -0.247 38.251 38.460 0.064 0.000 0.980 139 Y HN 0.070 nan 8.280 nan 0.000 0.540 140 E N 0.515 120.532 120.200 -0.306 0.000 2.204 140 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 140 E C 1.865 178.487 176.600 0.036 0.000 0.990 140 E CA 1.011 57.358 56.400 -0.087 0.000 0.821 140 E CB -0.659 28.913 29.700 -0.213 0.000 0.750 140 E HN 0.664 nan 8.360 nan 0.000 0.477 141 F N 1.406 121.286 119.950 -0.117 0.000 2.065 141 F HA -0.296 4.231 4.527 -0.000 0.000 0.298 141 F C 2.251 178.143 175.800 0.153 0.000 1.112 141 F CA 1.474 59.462 58.000 -0.019 0.000 1.212 141 F CB -0.120 38.825 39.000 -0.092 0.000 0.975 141 F HN -0.181 nan 8.300 nan 0.000 0.476 142 V N 0.933 121.140 119.914 0.488 0.000 2.453 142 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 142 V C 2.390 178.688 176.094 0.340 0.000 1.048 142 V CA 1.978 64.568 62.300 0.482 0.000 1.049 142 V CB -0.658 31.468 31.823 0.506 0.000 0.672 142 V HN 0.298 nan 8.190 nan 0.000 0.457 143 R N 0.332 120.983 120.500 0.252 0.000 2.073 143 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 143 R C 2.485 178.869 176.300 0.140 0.000 1.134 143 R CA 1.625 57.834 56.100 0.182 0.000 0.952 143 R CB -0.918 29.484 30.300 0.170 0.000 0.850 143 R HN 0.571 nan 8.270 nan 0.000 0.433 144 G N 0.655 109.509 108.800 0.090 0.000 2.402 144 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 144 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 144 G C 1.274 176.209 174.900 0.057 0.000 1.162 144 G CA 0.242 45.361 45.100 0.031 0.000 0.777 144 G HN 0.238 nan 8.290 nan 0.000 0.539 145 F N 1.501 121.410 119.950 -0.069 0.000 2.069 145 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 145 F C 2.744 178.608 175.800 0.107 0.000 1.113 145 F CA 2.103 60.109 58.000 0.010 0.000 1.214 145 F CB -0.033 39.025 39.000 0.097 0.000 0.978 145 F HN 0.034 nan 8.300 nan 0.000 0.474 146 K N -0.098 120.543 120.400 0.402 0.000 2.097 146 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 146 K C 2.189 178.854 176.600 0.109 0.000 1.049 146 K CA 1.488 57.940 56.287 0.275 0.000 0.933 146 K CB -0.352 32.303 32.500 0.259 0.000 0.717 146 K HN 0.371 nan 8.250 nan 0.000 0.442 147 E N 0.797 121.046 120.200 0.082 0.000 2.110 147 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 147 E C 1.903 178.506 176.600 0.006 0.000 0.988 147 E CA 1.059 57.482 56.400 0.038 0.000 0.804 147 E CB 0.190 29.910 29.700 0.034 0.000 0.745 147 E HN 0.053 nan 8.360 nan 0.000 0.458 148 V N 1.044 120.942 119.914 -0.027 0.000 2.358 148 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 148 V C 2.447 178.521 176.094 -0.034 0.000 1.047 148 V CA 1.163 63.434 62.300 -0.047 0.000 1.035 148 V CB -0.390 31.375 31.823 -0.097 0.000 0.658 148 V HN 0.214 nan 8.190 nan 0.000 0.452 149 L N -0.251 120.933 121.223 -0.064 0.000 2.017 149 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 149 L C 2.399 179.280 176.870 0.018 0.000 1.073 149 L CA 1.882 56.715 54.840 -0.012 0.000 0.745 149 L CB -0.836 41.203 42.059 -0.034 0.000 0.894 149 L HN 0.253 nan 8.230 nan 0.000 0.432 150 K N -0.189 120.218 120.400 0.011 0.000 2.002 150 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 150 K C 2.102 178.692 176.600 -0.017 0.000 1.048 150 K CA 1.749 58.035 56.287 -0.000 0.000 0.930 150 K CB -0.259 32.249 32.500 0.013 0.000 0.714 150 K HN 0.197 nan 8.250 nan 0.000 0.438 151 K N 1.397 121.792 120.400 -0.007 0.000 2.152 151 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 151 K C 1.416 178.005 176.600 -0.018 0.000 1.048 151 K CA 1.499 57.779 56.287 -0.011 0.000 0.933 151 K CB 0.153 32.652 32.500 -0.003 0.000 0.721 151 K HN -0.019 nan 8.250 nan 0.000 0.447 152 E N -0.303 119.897 120.200 0.001 0.000 2.489 152 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 152 E C 0.782 177.279 176.600 -0.173 0.000 1.057 152 E CA 0.739 57.151 56.400 0.022 0.000 0.866 152 E CB 0.576 30.385 29.700 0.181 0.000 0.916 152 E HN 0.600 nan 8.360 nan 0.000 0.500 153 G N 1.839 110.512 108.800 -0.211 0.000 2.137 153 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 153 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 153 G C 0.266 174.866 174.900 -0.500 0.000 1.002 153 G CA 0.071 44.967 45.100 -0.340 0.000 0.702 153 G HN 0.381 nan 8.290 nan 0.000 0.515 154 H N -0.436 118.601 119.070 -0.054 0.000 2.481 154 H HA 0.262 4.818 4.556 -0.000 0.000 0.273 154 H C 1.476 176.739 175.328 -0.108 0.000 1.145 154 H CA 0.188 56.180 56.048 -0.093 0.000 0.964 154 H CB 0.425 30.118 29.762 -0.114 0.000 1.722 154 H HN 0.648 nan 8.280 nan 0.000 0.573 155 E N 1.446 121.641 120.200 -0.007 0.000 2.160 155 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 155 E C 1.352 177.953 176.600 0.001 0.000 0.991 155 E CA 1.521 57.924 56.400 0.005 0.000 0.810 155 E CB 0.385 30.088 29.700 0.004 0.000 0.742 155 E HN 0.508 nan 8.360 nan 0.000 0.466 156 D N 0.599 120.991 120.400 -0.013 0.000 2.218 156 D HA -0.218 4.422 4.640 -0.000 0.000 0.204 156 D C 1.992 178.260 176.300 -0.054 0.000 0.976 156 D CA 0.708 54.703 54.000 -0.008 0.000 0.853 156 D CB -0.664 40.132 40.800 -0.007 0.000 0.939 156 D HN 0.342 nan 8.370 nan 0.000 0.481 157 L N -0.067 121.047 121.223 -0.181 0.000 2.349 157 L HA -0.080 4.260 4.340 -0.000 0.000 0.220 157 L C 2.512 179.244 176.870 -0.229 0.000 1.130 157 L CA 0.374 54.939 54.840 -0.458 0.000 0.791 157 L CB -0.395 41.053 42.059 -1.019 0.000 0.918 157 L HN 0.034 nan 8.230 nan 0.000 0.444 158 L N -0.405 120.812 121.223 -0.010 0.000 2.353 158 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 158 L C 2.235 179.259 176.870 0.256 0.000 1.133 158 L CA 0.945 55.883 54.840 0.163 0.000 0.798 158 L CB -0.444 41.712 42.059 0.160 0.000 0.922 158 L HN 0.345 nan 8.230 nan 0.000 0.445 159 E N -0.008 120.340 120.200 0.245 0.000 2.268 159 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 159 E C 1.358 178.298 176.600 0.567 0.000 0.995 159 E CA 0.642 57.291 56.400 0.416 0.000 0.836 159 E CB 0.183 30.041 29.700 0.264 0.000 0.763 159 E HN 0.293 nan 8.360 nan 0.000 0.491 160 K N 0.273 120.911 120.400 0.398 0.000 2.358 160 K HA 0.173 4.493 4.320 -0.000 0.000 0.197 160 K C -0.210 176.771 176.600 0.635 0.000 1.025 160 K CA 0.083 56.630 56.287 0.434 0.000 1.104 160 K CB 1.130 33.755 32.500 0.208 0.000 0.855 160 K HN -0.077 nan 8.250 nan 0.000 0.531 161 V N 0.438 120.611 119.914 0.431 0.000 2.495 161 V HA 0.660 4.780 4.120 -0.000 0.000 0.298 161 V C 0.450 176.108 176.094 -0.727 0.000 1.031 161 V CA -0.919 61.404 62.300 0.038 0.000 0.871 161 V CB 1.753 33.652 31.823 0.127 0.000 0.988 161 V HN 0.282 nan 8.190 nan 0.000 0.432 162 G N 2.709 110.832 108.800 -1.129 0.000 2.816 162 G HA2 0.779 4.739 3.960 -0.000 0.000 0.288 162 G HA3 0.779 4.739 3.960 -0.000 0.000 0.288 162 G C -2.117 171.980 174.900 -1.339 0.000 1.334 162 G CA -0.574 43.511 45.100 -1.692 0.000 0.978 162 G HN 0.459 nan 8.290 nan 0.000 0.493 163 Y N -0.656 119.462 120.300 -0.303 0.000 2.470 163 Y HA 0.531 5.081 4.550 0.000 0.000 0.341 163 Y C -1.076 174.896 175.900 0.120 0.000 1.021 163 Y CA -1.150 56.910 58.100 -0.067 0.000 1.025 163 Y CB 2.961 41.311 38.460 -0.184 0.000 1.266 163 Y HN 0.437 nan 8.280 nan 0.000 0.448 164 D N 2.632 123.312 120.400 0.468 0.000 2.386 164 D HA 0.288 4.928 4.640 -0.000 0.000 0.247 164 D C -1.811 174.873 176.300 0.639 0.000 1.336 164 D CA -0.381 53.938 54.000 0.532 0.000 0.976 164 D CB 0.512 41.602 40.800 0.483 0.000 1.257 164 D HN 0.177 nan 8.370 nan 0.000 0.570 165 F N 2.068 122.196 119.950 0.295 0.000 2.405 165 F HA 0.492 5.019 4.527 -0.000 0.000 0.355 165 F C 0.998 176.796 175.800 -0.004 0.000 1.121 165 F CA -1.087 56.910 58.000 -0.004 0.000 1.112 165 F CB 1.247 40.031 39.000 -0.361 0.000 1.126 165 F HN 0.181 nan 8.300 nan 0.000 0.481 166 S N 0.738 116.519 115.700 0.135 0.000 2.651 166 S HA 0.918 5.388 4.470 -0.000 0.000 0.279 166 S C -0.130 174.420 174.600 -0.084 0.000 1.148 166 S CA -0.387 57.835 58.200 0.036 0.000 0.837 166 S CB 1.607 64.841 63.200 0.057 0.000 1.138 166 S HN 1.446 nan 8.310 nan 0.000 0.478 167 G N 1.007 109.702 108.800 -0.175 0.000 2.697 167 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.240 167 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.240 167 G C -3.063 171.723 174.900 -0.190 0.000 1.346 167 G CA -0.311 44.635 45.100 -0.257 0.000 0.887 167 G HN 0.812 nan 8.290 nan 0.000 0.569 168 P HA 0.250 nan 4.420 nan 0.000 0.274 168 P C 0.252 177.451 177.300 -0.168 0.000 1.256 168 P CA -0.080 62.935 63.100 -0.141 0.000 0.795 168 P CB 0.339 31.976 31.700 -0.105 0.000 1.038 169 Y N -0.630 119.621 120.300 -0.081 0.000 2.352 169 Y HA -0.020 4.530 4.550 -0.000 0.000 0.292 169 Y C 1.307 177.145 175.900 -0.103 0.000 1.136 169 Y CA 1.209 59.253 58.100 -0.093 0.000 1.227 169 Y CB -0.110 38.284 38.460 -0.111 0.000 0.991 169 Y HN 0.057 nan 8.280 nan 0.000 0.545 170 L N 0.315 121.562 121.223 0.039 0.000 2.334 170 L HA 0.290 4.630 4.340 -0.000 0.000 0.276 170 L C -1.574 175.282 176.870 -0.024 0.000 1.014 170 L CA -1.906 52.932 54.840 -0.003 0.000 0.815 170 L CB 1.499 43.555 42.059 -0.004 0.000 1.268 170 L HN -0.138 nan 8.230 nan 0.000 0.428 171 P HA 0.009 nan 4.420 nan 0.000 0.231 171 P C -0.242 177.044 177.300 -0.023 0.000 1.168 171 P CA 0.469 63.557 63.100 -0.019 0.000 0.779 171 P CB 0.392 32.085 31.700 -0.012 0.000 0.844 172 S N -2.012 113.671 115.700 -0.027 0.000 2.596 172 S HA 0.454 4.924 4.470 -0.000 0.000 0.270 172 S C -0.658 173.905 174.600 -0.062 0.000 1.155 172 S CA -1.067 57.114 58.200 -0.032 0.000 0.827 172 S CB 0.738 63.935 63.200 -0.005 0.000 1.130 172 S HN -0.136 nan 8.310 nan 0.000 0.467 173 L N 2.371 123.541 121.223 -0.088 0.000 2.483 173 L HA 0.287 4.627 4.340 -0.000 0.000 0.276 173 L C -1.728 175.093 176.870 -0.082 0.000 1.213 173 L CA -1.297 53.454 54.840 -0.149 0.000 0.843 173 L CB 0.030 41.985 42.059 -0.174 0.000 1.107 173 L HN 0.555 nan 8.230 nan 0.000 0.487 174 P HA 0.064 nan 4.420 nan 0.000 0.271 174 P C -0.425 176.872 177.300 -0.004 0.000 1.218 174 P CA -0.446 62.632 63.100 -0.037 0.000 0.780 174 P CB 0.462 32.140 31.700 -0.036 0.000 0.901 175 T N -0.569 113.994 114.554 0.016 0.000 2.802 175 T HA 0.117 4.467 4.350 -0.000 0.000 0.305 175 T C 1.698 176.450 174.700 0.088 0.000 1.053 175 T CA -0.571 61.556 62.100 0.046 0.000 1.058 175 T CB 0.107 69.001 68.868 0.043 0.000 0.988 175 T HN 0.240 nan 8.240 nan 0.000 0.539 176 L N 0.282 121.586 121.223 0.135 0.000 2.043 176 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 176 L C 2.839 179.853 176.870 0.241 0.000 1.075 176 L CA 1.840 56.834 54.840 0.258 0.000 0.752 176 L CB -0.621 41.606 42.059 0.279 0.000 0.891 176 L HN 0.805 nan 8.230 nan 0.000 0.432 177 D N -0.209 120.277 120.400 0.143 0.000 2.117 177 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 177 D C 2.138 178.437 176.300 -0.002 0.000 0.987 177 D CA 1.575 55.615 54.000 0.066 0.000 0.829 177 D CB 0.218 41.041 40.800 0.039 0.000 0.961 177 D HN 0.347 nan 8.370 nan 0.000 0.460 178 A N 0.208 123.034 122.820 0.009 0.000 1.933 178 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 178 A C 2.361 179.930 177.584 -0.025 0.000 1.175 178 A CA 1.936 53.962 52.037 -0.018 0.000 0.628 178 A CB -0.739 18.256 19.000 -0.009 0.000 0.814 178 A HN 0.201 nan 8.150 nan 0.000 0.444 179 T N -1.446 113.118 114.554 0.016 0.000 2.708 179 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 179 T C 1.806 176.458 174.700 -0.079 0.000 1.037 179 T CA 1.578 63.681 62.100 0.004 0.000 1.146 179 T CB -0.514 68.458 68.868 0.173 0.000 0.865 179 T HN 0.771 nan 8.240 nan 0.000 0.435 180 H N 0.727 119.589 119.070 -0.347 0.000 2.319 180 H HA -0.114 4.442 4.556 0.000 0.000 0.297 180 H C 2.323 177.462 175.328 -0.316 0.000 1.097 180 H CA 1.162 56.773 56.048 -0.727 0.000 1.285 180 H CB 0.215 29.308 29.762 -1.115 0.000 1.368 180 H HN 0.149 nan 8.280 nan 0.000 0.495 181 E N 0.399 120.517 120.200 -0.136 0.000 2.110 181 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 181 E C 2.364 178.883 176.600 -0.135 0.000 0.988 181 E CA 0.818 57.119 56.400 -0.166 0.000 0.804 181 E CB -0.411 29.198 29.700 -0.152 0.000 0.745 181 E HN 0.596 nan 8.360 nan 0.000 0.458 182 A N 0.502 123.262 122.820 -0.099 0.000 1.883 182 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 182 A C 2.029 179.635 177.584 0.037 0.000 1.186 182 A CA 1.418 53.432 52.037 -0.039 0.000 0.624 182 A CB -0.893 18.136 19.000 0.048 0.000 0.822 182 A HN 0.227 nan 8.150 nan 0.000 0.444 183 Y N 0.248 120.569 120.300 0.036 0.000 2.181 183 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 183 Y C 2.388 178.217 175.900 -0.119 0.000 1.146 183 Y CA 1.722 59.737 58.100 -0.143 0.000 1.164 183 Y CB -0.413 37.907 38.460 -0.233 0.000 0.982 183 Y HN 0.290 nan 8.280 nan 0.000 0.515 184 K N 0.232 120.655 120.400 0.037 0.000 2.057 184 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 184 K C 1.964 178.499 176.600 -0.110 0.000 1.049 184 K CA 1.556 57.810 56.287 -0.055 0.000 0.931 184 K CB -0.171 32.258 32.500 -0.118 0.000 0.714 184 K HN 0.259 nan 8.250 nan 0.000 0.440 185 K N 0.267 120.542 120.400 -0.209 0.000 2.147 185 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 185 K C 1.986 178.473 176.600 -0.188 0.000 1.049 185 K CA 1.203 57.248 56.287 -0.403 0.000 0.936 185 K CB -0.038 31.831 32.500 -1.052 0.000 0.722 185 K HN 0.127 nan 8.250 nan 0.000 0.446 186 A N 0.454 123.291 122.820 0.028 0.000 2.169 186 A HA 0.155 4.475 4.320 -0.000 0.000 0.212 186 A C 1.346 178.959 177.584 0.049 0.000 1.153 186 A CA 0.839 52.991 52.037 0.192 0.000 0.756 186 A CB -0.244 18.995 19.000 0.398 0.000 0.813 186 A HN 0.398 nan 8.150 nan 0.000 0.471 187 G N -1.313 107.476 108.800 -0.018 0.000 2.160 187 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.244 187 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.244 187 G C -0.063 174.763 174.900 -0.124 0.000 1.022 187 G CA 0.141 45.211 45.100 -0.051 0.000 0.741 187 G HN 0.841 nan 8.290 nan 0.000 0.508 188 V N 1.202 121.015 119.914 -0.168 0.000 2.347 188 V HA 0.521 4.641 4.120 -0.000 0.000 0.280 188 V C 0.376 176.355 176.094 -0.193 0.000 1.021 188 V CA 0.195 62.302 62.300 -0.321 0.000 0.847 188 V CB 1.689 33.167 31.823 -0.576 0.000 0.990 188 V HN 0.465 nan 8.190 nan 0.000 0.444 189 D N 2.237 122.533 120.400 -0.174 0.000 2.535 189 D HA 0.478 5.118 4.640 -0.000 0.000 0.229 189 D C 0.399 176.661 176.300 -0.064 0.000 1.238 189 D CA 0.201 54.154 54.000 -0.079 0.000 0.824 189 D CB 1.129 41.904 40.800 -0.043 0.000 1.045 189 D HN 0.709 nan 8.370 nan 0.000 0.500 190 G N -0.871 107.859 108.800 -0.118 0.000 2.322 190 G HA2 0.328 4.288 3.960 -0.000 0.000 0.295 190 G HA3 0.328 4.288 3.960 -0.000 0.000 0.295 190 G C -0.808 174.112 174.900 0.034 0.000 1.369 190 G CA -0.710 44.397 45.100 0.011 0.000 0.821 190 G HN 0.220 nan 8.290 nan 0.000 0.536 191 H N -1.618 117.376 119.070 -0.127 0.000 2.886 191 H HA -0.158 4.398 4.556 -0.000 0.000 0.294 191 H C -0.174 174.989 175.328 -0.274 0.000 1.246 191 H CA 0.713 56.474 56.048 -0.480 0.000 1.142 191 H CB -1.353 27.737 29.762 -1.121 0.000 1.358 191 H HN 0.416 nan 8.280 nan 0.000 0.406 192 I N 0.926 121.549 120.570 0.088 0.000 2.354 192 I HA 0.218 4.387 4.170 -0.000 0.000 0.292 192 I C -0.065 176.251 176.117 0.331 0.000 0.989 192 I CA -0.351 60.942 61.300 -0.013 0.000 1.188 192 I CB 0.832 38.608 38.000 -0.373 0.000 1.342 192 I HN 0.043 nan 8.210 nan 0.000 0.457 193 W N 6.847 128.175 121.300 0.046 0.000 2.627 193 W HA 0.663 5.323 4.660 -0.000 0.000 0.339 193 W C -0.853 175.786 176.519 0.200 0.000 1.058 193 W CA -0.840 56.599 57.345 0.156 0.000 1.223 193 W CB 1.481 31.098 29.460 0.263 0.000 1.389 193 W HN 0.185 nan 8.180 nan 0.000 0.541 194 L N 3.256 124.644 121.223 0.275 0.000 2.362 194 L HA 0.700 5.040 4.340 -0.000 0.000 0.275 194 L C -0.205 176.630 176.870 -0.058 0.000 0.998 194 L CA -0.261 54.661 54.840 0.137 0.000 0.820 194 L CB 1.296 43.374 42.059 0.033 0.000 1.270 194 L HN 0.420 nan 8.230 nan 0.000 0.415 195 S N 2.224 117.810 115.700 -0.189 0.000 2.568 195 S HA 0.729 5.199 4.470 -0.000 0.000 0.302 195 S C -1.176 173.412 174.600 -0.020 0.000 1.082 195 S CA -0.837 57.096 58.200 -0.444 0.000 1.009 195 S CB 2.184 64.847 63.200 -0.895 0.000 1.069 195 S HN 0.668 nan 8.310 nan 0.000 0.500 196 D N -1.068 119.316 120.400 -0.027 0.000 2.661 196 D HA 0.593 5.232 4.640 -0.000 0.000 0.228 196 D C 0.624 176.583 176.300 -0.568 0.000 1.183 196 D CA 0.462 54.398 54.000 -0.108 0.000 0.844 196 D CB 1.691 42.540 40.800 0.081 0.000 1.555 196 D HN 1.034 nan 8.370 nan 0.000 0.453 197 G N 1.714 110.117 108.800 -0.661 0.000 2.192 197 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.193 197 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.193 197 G C 1.232 175.432 174.900 -1.166 0.000 0.999 197 G CA 0.312 44.858 45.100 -0.924 0.000 0.659 197 G HN 0.472 nan 8.290 nan 0.000 0.503 198 L N 1.196 121.579 121.223 -1.400 0.000 1.971 198 L HA 0.001 4.341 4.340 -0.000 0.000 0.215 198 L C 2.161 178.831 176.870 -0.333 0.000 1.072 198 L CA 2.478 56.874 54.840 -0.738 0.000 0.758 198 L CB -0.580 41.469 42.059 -0.016 0.000 0.889 198 L HN 0.602 nan 8.230 nan 0.000 0.433 199 T N -1.872 112.580 114.554 -0.169 0.000 2.934 199 T HA 0.247 4.597 4.350 -0.000 0.000 0.283 199 T C -0.201 174.484 174.700 -0.024 0.000 1.005 199 T CA -0.764 61.297 62.100 -0.065 0.000 1.041 199 T CB 1.164 70.074 68.868 0.069 0.000 1.042 199 T HN 0.452 nan 8.240 nan 0.000 0.505 200 N N 0.887 119.605 118.700 0.030 0.000 2.750 200 N HA 0.215 4.955 4.740 -0.000 0.000 0.253 200 N C -0.620 174.972 175.510 0.136 0.000 1.408 200 N CA -0.654 52.435 53.050 0.066 0.000 0.780 200 N CB 0.663 39.164 38.487 0.024 0.000 1.191 200 N HN 0.463 nan 8.380 nan 0.000 0.511 201 F N 2.594 122.546 119.950 0.003 0.000 2.664 201 F HA 0.159 4.686 4.527 -0.000 0.000 0.296 201 F C 0.110 175.914 175.800 0.006 0.000 1.125 201 F CA 0.053 58.057 58.000 0.008 0.000 1.444 201 F CB 0.330 39.351 39.000 0.034 0.000 1.114 201 F HN 0.391 nan 8.300 nan 0.000 0.576 202 S N -1.354 114.319 115.700 -0.045 0.000 2.277 202 S HA 0.264 4.734 4.470 -0.000 0.000 0.230 202 S C -2.191 172.385 174.600 -0.040 0.000 0.893 202 S CA -1.015 57.109 58.200 -0.126 0.000 1.044 202 S CB 0.892 63.983 63.200 -0.182 0.000 1.252 202 S HN -0.203 nan 8.310 nan 0.000 0.393 203 P HA -0.223 nan 4.420 nan 0.000 0.220 203 P C 1.585 178.874 177.300 -0.019 0.000 1.155 203 P CA 1.241 64.328 63.100 -0.023 0.000 0.880 203 P CB 0.053 31.734 31.700 -0.031 0.000 0.790 204 L N -1.248 119.959 121.223 -0.028 0.000 1.951 204 L HA -0.201 4.139 4.340 -0.000 0.000 0.222 204 L C 2.623 179.490 176.870 -0.004 0.000 1.078 204 L CA 2.307 57.135 54.840 -0.020 0.000 0.778 204 L CB -1.570 40.473 42.059 -0.027 0.000 0.893 204 L HN 0.085 nan 8.230 nan 0.000 0.436 205 G N -1.680 107.122 108.800 0.004 0.000 2.534 205 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 205 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 205 G C 1.072 175.997 174.900 0.041 0.000 1.128 205 G CA 0.537 45.655 45.100 0.030 0.000 0.784 205 G HN 0.319 nan 8.290 nan 0.000 0.542 206 D N 1.199 121.619 120.400 0.034 0.000 2.075 206 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 206 D C 2.856 179.166 176.300 0.017 0.000 0.985 206 D CA 1.487 55.509 54.000 0.038 0.000 0.834 206 D CB -0.465 40.355 40.800 0.033 0.000 0.987 206 D HN 0.466 nan 8.370 nan 0.000 0.452 207 M N 0.243 119.841 119.600 -0.003 0.000 2.117 207 M HA -0.026 4.454 4.480 -0.000 0.000 0.262 207 M C 2.316 178.611 176.300 -0.007 0.000 1.065 207 M CA 1.817 57.106 55.300 -0.019 0.000 1.114 207 M CB -0.555 32.028 32.600 -0.028 0.000 1.361 207 M HN -0.094 nan 8.290 nan 0.000 0.408 208 A N 1.457 124.279 122.820 0.003 0.000 1.892 208 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 208 A C 2.308 179.901 177.584 0.015 0.000 1.188 208 A CA 2.503 54.545 52.037 0.009 0.000 0.631 208 A CB -0.849 18.159 19.000 0.014 0.000 0.822 208 A HN 0.606 nan 8.150 nan 0.000 0.447 209 R N -0.784 119.730 120.500 0.023 0.000 2.080 209 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 209 R C 1.986 178.297 176.300 0.019 0.000 1.137 209 R CA 1.898 58.014 56.100 0.027 0.000 0.943 209 R CB -0.696 29.625 30.300 0.035 0.000 0.846 209 R HN 0.427 nan 8.270 nan 0.000 0.431 210 L N 0.659 121.890 121.223 0.012 0.000 2.027 210 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 210 L C 1.703 178.568 176.870 -0.009 0.000 1.074 210 L CA 1.899 56.740 54.840 0.002 0.000 0.745 210 L CB -0.483 41.569 42.059 -0.013 0.000 0.898 210 L HN 0.068 nan 8.230 nan 0.000 0.433 211 K N -0.039 120.354 120.400 -0.011 0.000 2.057 211 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 211 K C 2.060 178.658 176.600 -0.002 0.000 1.049 211 K CA 1.563 57.845 56.287 -0.009 0.000 0.931 211 K CB -0.385 32.110 32.500 -0.008 0.000 0.714 211 K HN 0.569 nan 8.250 nan 0.000 0.440 212 E N 0.514 120.718 120.200 0.005 0.000 2.077 212 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 212 E C 1.858 178.461 176.600 0.004 0.000 0.989 212 E CA 1.158 57.566 56.400 0.013 0.000 0.800 212 E CB 0.008 29.723 29.700 0.025 0.000 0.746 212 E HN 0.221 nan 8.360 nan 0.000 0.452 213 A N 1.158 123.975 122.820 -0.004 0.000 1.877 213 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 213 A C 2.188 179.738 177.584 -0.056 0.000 1.186 213 A CA 1.477 53.493 52.037 -0.035 0.000 0.620 213 A CB -0.668 18.316 19.000 -0.027 0.000 0.822 213 A HN 0.338 nan 8.150 nan 0.000 0.443 214 I N -0.694 119.856 120.570 -0.034 0.000 2.142 214 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 214 I C 2.540 178.642 176.117 -0.024 0.000 1.078 214 I CA 1.978 63.261 61.300 -0.029 0.000 1.343 214 I CB -0.278 37.714 38.000 -0.014 0.000 1.046 214 I HN 0.355 nan 8.210 nan 0.000 0.405 215 K N 0.574 120.966 120.400 -0.013 0.000 2.044 215 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 215 K C 2.356 178.948 176.600 -0.014 0.000 1.049 215 K CA 2.085 58.369 56.287 -0.005 0.000 0.927 215 K CB -0.247 32.256 32.500 0.005 0.000 0.713 215 K HN 0.150 nan 8.250 nan 0.000 0.443 216 S N 0.223 115.907 115.700 -0.026 0.000 2.359 216 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 216 S C 2.090 176.626 174.600 -0.108 0.000 1.035 216 S CA 1.515 59.688 58.200 -0.044 0.000 1.018 216 S CB -0.348 62.818 63.200 -0.055 0.000 0.876 216 S HN 0.429 nan 8.310 nan 0.000 0.448 217 R N 0.346 120.761 120.500 -0.142 0.000 2.091 217 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 217 R C 0.900 177.155 176.300 -0.075 0.000 1.136 217 R CA 1.990 58.000 56.100 -0.151 0.000 0.959 217 R CB -0.437 29.785 30.300 -0.131 0.000 0.856 217 R HN 0.367 nan 8.270 nan 0.000 0.437 218 D N 0.498 120.873 120.400 -0.040 0.000 2.340 218 D HA -0.005 4.635 4.640 -0.000 0.000 0.220 218 D C 0.391 176.684 176.300 -0.012 0.000 1.039 218 D CA 0.367 54.357 54.000 -0.016 0.000 0.866 218 D CB 0.344 41.145 40.800 0.002 0.000 0.913 218 D HN 0.260 nan 8.370 nan 0.000 0.523 219 S N -0.342 115.352 115.700 -0.011 0.000 2.603 219 S HA 0.441 4.911 4.470 -0.000 0.000 0.268 219 S C 1.523 176.130 174.600 0.010 0.000 1.317 219 S CA -0.197 58.007 58.200 0.006 0.000 1.012 219 S CB 2.042 65.255 63.200 0.021 0.000 0.926 219 S HN 0.043 nan 8.310 nan 0.000 0.539 220 A N 2.108 124.938 122.820 0.018 0.000 1.877 220 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 220 A C 1.800 179.406 177.584 0.037 0.000 1.186 220 A CA 1.735 53.784 52.037 0.020 0.000 0.620 220 A CB -1.559 17.452 19.000 0.020 0.000 0.822 220 A HN 1.070 nan 8.150 nan 0.000 0.443 221 N N -0.429 118.305 118.700 0.057 0.000 2.362 221 N HA 0.297 5.037 4.740 -0.000 0.000 0.204 221 N C 0.683 176.269 175.510 0.127 0.000 1.166 221 N CA 0.371 53.476 53.050 0.092 0.000 0.831 221 N CB -0.073 38.476 38.487 0.102 0.000 1.008 221 N HN 0.350 nan 8.380 nan 0.000 0.472 222 G N 0.082 108.926 108.800 0.074 0.000 2.554 222 G HA2 0.208 4.168 3.960 -0.000 0.000 0.238 222 G HA3 0.208 4.168 3.960 -0.000 0.000 0.238 222 G C 0.088 175.015 174.900 0.044 0.000 1.259 222 G CA -0.634 44.485 45.100 0.031 0.000 0.843 222 G HN 0.513 nan 8.290 nan 0.000 0.582 223 F N -0.212 119.631 119.950 -0.178 0.000 2.712 223 F HA 0.469 4.996 4.527 0.000 0.000 0.297 223 F C 0.659 176.334 175.800 -0.209 0.000 1.114 223 F CA -0.821 57.007 58.000 -0.286 0.000 1.305 223 F CB 0.110 38.673 39.000 -0.729 0.000 1.086 223 F HN 0.127 nan 8.300 nan 0.000 0.599 224 I N 2.632 122.730 120.570 -0.787 0.000 2.471 224 I HA 0.112 4.282 4.170 -0.000 0.000 0.286 224 I C 0.337 176.317 176.117 -0.228 0.000 1.079 224 I CA 0.198 61.186 61.300 -0.520 0.000 1.398 224 I CB 0.976 38.638 38.000 -0.564 0.000 1.403 224 I HN 0.227 nan 8.210 nan 0.000 0.530 225 N N 4.211 122.849 118.700 -0.104 0.000 2.349 225 N HA 0.065 4.805 4.740 -0.000 0.000 0.180 225 N C -0.251 175.154 175.510 -0.175 0.000 1.024 225 N CA 0.668 53.690 53.050 -0.045 0.000 0.869 225 N CB 0.307 38.869 38.487 0.125 0.000 1.022 225 N HN 0.405 nan 8.380 nan 0.000 0.433 226 K N 0.682 120.858 120.400 -0.374 0.000 2.426 226 K HA 0.464 4.784 4.320 -0.000 0.000 0.251 226 K C -1.171 175.132 176.600 -0.495 0.000 0.941 226 K CA -0.430 55.447 56.287 -0.683 0.000 0.808 226 K CB 2.600 34.074 32.500 -1.710 0.000 1.265 226 K HN -0.036 nan 8.250 nan 0.000 0.432 227 I N 2.845 123.219 120.570 -0.326 0.000 2.406 227 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 227 I C -0.735 175.369 176.117 -0.022 0.000 0.999 227 I CA -1.114 60.109 61.300 -0.128 0.000 1.124 227 I CB 1.105 39.062 38.000 -0.071 0.000 1.289 227 I HN 0.512 nan 8.210 nan 0.000 0.441 228 Y N 4.716 124.980 120.300 -0.061 0.000 2.468 228 Y HA 0.658 5.208 4.550 -0.000 0.000 0.342 228 Y C -1.395 174.658 175.900 0.255 0.000 1.021 228 Y CA -1.312 56.837 58.100 0.082 0.000 1.079 228 Y CB 1.101 39.638 38.460 0.128 0.000 1.226 228 Y HN 0.463 nan 8.280 nan 0.000 0.460 229 Y N 4.188 124.606 120.300 0.198 0.000 2.377 229 Y HA 0.513 5.063 4.550 -0.000 0.000 0.339 229 Y C -1.183 174.879 175.900 0.269 0.000 1.011 229 Y CA -1.814 56.357 58.100 0.119 0.000 1.093 229 Y CB 1.095 39.570 38.460 0.025 0.000 1.201 229 Y HN 0.917 nan 8.280 nan 0.000 0.455 230 W N 3.604 124.488 121.300 -0.694 0.000 2.627 230 W HA 0.653 5.313 4.660 -0.000 0.000 0.339 230 W C -0.631 175.595 176.519 -0.487 0.000 1.058 230 W CA -1.168 55.913 57.345 -0.439 0.000 1.223 230 W CB 0.927 30.232 29.460 -0.257 0.000 1.389 230 W HN 0.662 nan 8.180 nan 0.000 0.541 231 S N 1.125 116.809 115.700 -0.026 0.000 3.681 231 S HA -0.128 4.342 4.470 -0.000 0.000 0.473 231 S C -0.672 173.951 174.600 0.039 0.000 0.830 231 S CA 0.375 58.540 58.200 -0.060 0.000 1.355 231 S CB -1.970 61.150 63.200 -0.133 0.000 0.892 231 S HN 0.710 nan 8.310 nan 0.000 0.649 232 V N 2.305 122.300 119.914 0.135 0.000 2.328 232 V HA 0.384 4.504 4.120 -0.000 0.000 0.278 232 V C 0.482 176.676 176.094 0.165 0.000 1.021 232 V CA -0.405 62.009 62.300 0.190 0.000 0.838 232 V CB 1.744 33.706 31.823 0.232 0.000 0.999 232 V HN 0.558 nan 8.190 nan 0.000 0.447 233 D N 2.381 122.890 120.400 0.181 0.000 2.500 233 D HA 0.198 4.838 4.640 -0.000 0.000 0.218 233 D C 0.481 176.907 176.300 0.210 0.000 1.140 233 D CA 0.242 54.413 54.000 0.284 0.000 0.830 233 D CB 0.917 41.960 40.800 0.404 0.000 1.055 233 D HN 0.468 nan 8.370 nan 0.000 0.512 234 K N 0.192 120.660 120.400 0.113 0.000 2.267 234 K HA 0.388 4.708 4.320 -0.000 0.000 0.246 234 K C 1.017 177.625 176.600 0.012 0.000 0.954 234 K CA -0.739 55.577 56.287 0.048 0.000 0.824 234 K CB 3.068 35.587 32.500 0.030 0.000 1.167 234 K HN -0.351 nan 8.250 nan 0.000 0.431 235 V N 1.121 121.023 119.914 -0.019 0.000 2.252 235 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 235 V C 2.393 178.437 176.094 -0.084 0.000 1.056 235 V CA 2.666 64.928 62.300 -0.063 0.000 1.022 235 V CB -0.775 31.007 31.823 -0.068 0.000 0.641 235 V HN 1.032 nan 8.190 nan 0.000 0.445 236 S N 1.139 116.807 115.700 -0.053 0.000 2.359 236 S HA -0.299 4.171 4.470 -0.000 0.000 0.223 236 S C 2.044 176.615 174.600 -0.049 0.000 1.039 236 S CA 2.335 60.506 58.200 -0.048 0.000 1.042 236 S CB -1.271 61.913 63.200 -0.025 0.000 0.915 236 S HN 0.783 nan 8.310 nan 0.000 0.439 237 T N -0.966 113.571 114.554 -0.028 0.000 2.904 237 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 237 T C 1.904 176.580 174.700 -0.039 0.000 1.059 237 T CA 1.525 63.610 62.100 -0.024 0.000 1.137 237 T CB -1.337 67.546 68.868 0.024 0.000 0.879 237 T HN 0.456 nan 8.240 nan 0.000 0.467 238 T N 2.012 116.542 114.554 -0.040 0.000 2.708 238 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 238 T C 1.969 176.584 174.700 -0.143 0.000 1.037 238 T CA 1.307 63.368 62.100 -0.065 0.000 1.146 238 T CB -0.242 68.589 68.868 -0.063 0.000 0.865 238 T HN 0.453 nan 8.240 nan 0.000 0.435 239 K N 1.079 121.352 120.400 -0.212 0.000 2.009 239 K HA -0.065 4.255 4.320 -0.000 0.000 0.210 239 K C 2.711 179.295 176.600 -0.027 0.000 1.049 239 K CA 1.333 57.455 56.287 -0.274 0.000 0.929 239 K CB -0.403 31.874 32.500 -0.372 0.000 0.714 239 K HN 0.292 nan 8.250 nan 0.000 0.440 240 A N 1.501 124.295 122.820 -0.042 0.000 1.908 240 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 240 A C 2.378 179.911 177.584 -0.085 0.000 1.181 240 A CA 2.113 54.128 52.037 -0.038 0.000 0.627 240 A CB -0.807 18.154 19.000 -0.065 0.000 0.818 240 A HN 0.385 nan 8.150 nan 0.000 0.445 241 A N -0.321 122.424 122.820 -0.125 0.000 1.877 241 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 241 A C 2.201 179.704 177.584 -0.135 0.000 1.186 241 A CA 1.566 53.510 52.037 -0.155 0.000 0.620 241 A CB -0.655 18.287 19.000 -0.097 0.000 0.822 241 A HN 0.486 nan 8.150 nan 0.000 0.443 242 L N -0.465 120.647 121.223 -0.186 0.000 2.017 242 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 242 L C 2.118 178.862 176.870 -0.211 0.000 1.073 242 L CA 1.586 56.175 54.840 -0.418 0.000 0.745 242 L CB -0.745 40.886 42.059 -0.713 0.000 0.894 242 L HN 0.327 nan 8.230 nan 0.000 0.432 243 D N -0.209 120.201 120.400 0.018 0.000 2.144 243 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 243 D C 2.165 178.507 176.300 0.069 0.000 0.984 243 D CA 1.625 55.703 54.000 0.131 0.000 0.834 243 D CB -0.214 40.674 40.800 0.147 0.000 0.955 243 D HN 0.353 nan 8.370 nan 0.000 0.465 244 V N -2.634 117.281 119.914 0.002 0.000 3.141 244 V HA 0.285 4.405 4.120 -0.000 0.000 0.265 244 V C 1.482 177.581 176.094 0.008 0.000 1.126 244 V CA 1.083 63.375 62.300 -0.012 0.000 1.141 244 V CB -0.383 31.401 31.823 -0.066 0.000 0.743 244 V HN 0.254 nan 8.190 nan 0.000 0.492 245 G N 0.249 109.064 108.800 0.025 0.000 2.138 245 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.193 245 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.193 245 G C 0.070 174.985 174.900 0.025 0.000 0.998 245 G CA 0.130 45.267 45.100 0.061 0.000 0.668 245 G HN 1.650 nan 8.290 nan 0.000 0.516 246 V N -2.232 117.673 119.914 -0.016 0.000 3.051 246 V HA 0.581 4.701 4.120 -0.000 0.000 0.306 246 V C 0.970 177.057 176.094 -0.013 0.000 1.083 246 V CA 0.584 62.878 62.300 -0.009 0.000 1.104 246 V CB 1.342 33.180 31.823 0.025 0.000 1.027 246 V HN 0.095 nan 8.190 nan 0.000 0.483 247 D N 2.250 122.635 120.400 -0.024 0.000 2.355 247 D HA 0.215 4.855 4.640 -0.000 0.000 0.206 247 D C 0.803 177.157 176.300 0.090 0.000 1.010 247 D CA 1.310 55.308 54.000 -0.004 0.000 0.875 247 D CB 0.891 41.601 40.800 -0.150 0.000 0.966 247 D HN 0.864 nan 8.370 nan 0.000 0.512 248 G N 0.703 109.542 108.800 0.065 0.000 2.617 248 G HA2 0.518 4.478 3.960 -0.000 0.000 0.306 248 G HA3 0.518 4.478 3.960 -0.000 0.000 0.306 248 G C -0.959 174.088 174.900 0.245 0.000 1.360 248 G CA -0.313 44.897 45.100 0.184 0.000 0.983 248 G HN -0.108 nan 8.290 nan 0.000 0.496 249 I N 2.567 123.283 120.570 0.243 0.000 2.411 249 I HA 0.336 4.506 4.170 -0.000 0.000 0.284 249 I C -0.041 176.229 176.117 0.255 0.000 1.012 249 I CA -0.790 60.649 61.300 0.233 0.000 1.119 249 I CB 1.438 39.523 38.000 0.143 0.000 1.261 249 I HN 0.483 nan 8.210 nan 0.000 0.448 250 M N 5.746 125.531 119.600 0.308 0.000 2.188 250 M HA 0.443 4.923 4.480 -0.000 0.000 0.357 250 M C -0.431 175.970 176.300 0.168 0.000 1.204 250 M CA 0.305 55.758 55.300 0.255 0.000 1.095 250 M CB 1.139 33.940 32.600 0.334 0.000 1.604 250 M HN 0.667 nan 8.290 nan 0.000 0.464 251 T N 2.583 117.209 114.554 0.121 0.000 2.923 251 T HA 0.369 4.719 4.350 -0.000 0.000 0.311 251 T C 0.225 174.930 174.700 0.009 0.000 1.183 251 T CA -0.844 61.303 62.100 0.079 0.000 1.020 251 T CB 1.070 70.010 68.868 0.121 0.000 1.165 251 T HN 0.809 nan 8.240 nan 0.000 0.482 252 N N 1.807 120.418 118.700 -0.148 0.000 2.494 252 N HA 0.034 4.774 4.740 -0.000 0.000 0.182 252 N C -0.696 174.429 175.510 -0.643 0.000 1.076 252 N CA 0.810 53.593 53.050 -0.445 0.000 0.908 252 N CB 0.139 38.170 38.487 -0.760 0.000 0.967 252 N HN 0.593 nan 8.380 nan 0.000 0.449 253 Y N -1.047 119.393 120.300 0.233 0.000 2.592 253 Y HA 0.360 4.910 4.550 -0.000 0.000 0.354 253 Y C -1.961 174.023 175.900 0.140 0.000 1.063 253 Y CA -2.129 56.074 58.100 0.172 0.000 1.205 253 Y CB 1.457 39.977 38.460 0.101 0.000 1.106 253 Y HN -0.116 nan 8.280 nan 0.000 0.649 254 P HA -0.193 nan 4.420 nan 0.000 0.220 254 P C 1.289 178.666 177.300 0.129 0.000 1.144 254 P CA 1.687 64.891 63.100 0.173 0.000 0.800 254 P CB 0.320 32.129 31.700 0.182 0.000 0.772 255 N N -0.699 118.079 118.700 0.129 0.000 2.289 255 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 255 N C 1.428 176.980 175.510 0.069 0.000 1.016 255 N CA 1.130 54.227 53.050 0.079 0.000 0.872 255 N CB -1.229 37.294 38.487 0.060 0.000 0.973 255 N HN 0.072 nan 8.380 nan 0.000 0.433 256 V N 1.544 121.519 119.914 0.102 0.000 2.261 256 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 256 V C 2.602 178.715 176.094 0.031 0.000 1.047 256 V CA 1.292 63.632 62.300 0.065 0.000 1.015 256 V CB -0.751 31.132 31.823 0.100 0.000 0.642 256 V HN 0.212 nan 8.190 nan 0.000 0.446 257 L N -0.066 121.184 121.223 0.046 0.000 2.042 257 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 257 L C 2.236 179.114 176.870 0.014 0.000 1.076 257 L CA 1.959 56.809 54.840 0.017 0.000 0.749 257 L CB -0.638 41.442 42.059 0.035 0.000 0.893 257 L HN 0.164 nan 8.230 nan 0.000 0.432 258 I N 0.004 120.591 120.570 0.027 0.000 2.163 258 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 258 I C 2.615 178.743 176.117 0.017 0.000 1.085 258 I CA 1.483 62.796 61.300 0.023 0.000 1.347 258 I CB -2.333 35.681 38.000 0.024 0.000 1.044 258 I HN 0.395 nan 8.210 nan 0.000 0.408 259 G N 0.492 109.299 108.800 0.011 0.000 2.418 259 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 259 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 259 G C 1.880 176.776 174.900 -0.006 0.000 1.158 259 G CA 0.993 46.094 45.100 0.002 0.000 0.771 259 G HN 0.286 nan 8.290 nan 0.000 0.545 260 V N 0.983 120.877 119.914 -0.033 0.000 2.343 260 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 260 V C 2.850 178.951 176.094 0.011 0.000 1.051 260 V CA 1.368 63.615 62.300 -0.089 0.000 1.036 260 V CB -0.389 31.321 31.823 -0.188 0.000 0.654 260 V HN 0.349 nan 8.190 nan 0.000 0.451 261 L N -0.455 120.798 121.223 0.050 0.000 2.450 261 L HA -0.154 4.186 4.340 -0.000 0.000 0.224 261 L C 2.258 179.194 176.870 0.109 0.000 1.149 261 L CA 1.301 56.212 54.840 0.119 0.000 0.816 261 L CB -0.523 41.585 42.059 0.082 0.000 0.932 261 L HN 0.335 nan 8.230 nan 0.000 0.449 262 K N -0.261 120.183 120.400 0.073 0.000 2.400 262 K HA 0.062 4.382 4.320 -0.000 0.000 0.194 262 K C 0.253 176.902 176.600 0.081 0.000 1.033 262 K CA 0.155 56.480 56.287 0.063 0.000 1.021 262 K CB 0.209 32.732 32.500 0.038 0.000 0.808 262 K HN 0.376 nan 8.250 nan 0.000 0.505 263 E N 1.407 121.676 120.200 0.115 0.000 2.343 263 E HA 0.120 4.470 4.350 -0.000 0.000 0.269 263 E C -0.520 176.190 176.600 0.184 0.000 1.047 263 E CA -0.339 56.142 56.400 0.135 0.000 0.874 263 E CB 1.214 30.993 29.700 0.131 0.000 1.033 263 E HN -0.029 nan 8.360 nan 0.000 0.409 264 S N 1.001 116.779 115.700 0.130 0.000 2.558 264 S HA 0.168 4.638 4.470 -0.000 0.000 0.293 264 S C 1.219 175.893 174.600 0.124 0.000 1.292 264 S CA 0.606 58.863 58.200 0.096 0.000 1.063 264 S CB 0.544 63.782 63.200 0.063 0.000 0.831 264 S HN 0.896 nan 8.310 nan 0.000 0.499 265 G N 1.618 110.421 108.800 0.004 0.000 2.253 265 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 265 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 265 G C 0.464 175.091 174.900 -0.455 0.000 0.998 265 G CA 0.613 45.604 45.100 -0.181 0.000 0.621 265 G HN 0.711 nan 8.290 nan 0.000 0.524 266 Y N 0.849 121.200 120.300 0.086 0.000 2.594 266 Y HA 0.119 4.668 4.550 -0.000 0.000 0.283 266 Y C 2.508 178.485 175.900 0.128 0.000 1.140 266 Y CA 0.898 59.117 58.100 0.197 0.000 1.261 266 Y CB -0.408 38.175 38.460 0.205 0.000 1.358 266 Y HN 0.350 nan 8.280 nan 0.000 0.513 267 N N 0.606 119.416 118.700 0.184 0.000 2.192 267 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 267 N C 1.018 176.533 175.510 0.008 0.000 1.013 267 N CA 1.914 55.020 53.050 0.094 0.000 0.863 267 N CB -0.820 37.709 38.487 0.070 0.000 0.990 267 N HN 0.535 nan 8.380 nan 0.000 0.430 268 D N -0.480 119.891 120.400 -0.049 0.000 2.347 268 D HA -0.084 4.556 4.640 -0.000 0.000 0.215 268 D C 1.005 177.193 176.300 -0.187 0.000 0.976 268 D CA 0.712 54.654 54.000 -0.097 0.000 0.884 268 D CB 0.028 40.770 40.800 -0.096 0.000 0.915 268 D HN 0.386 nan 8.370 nan 0.000 0.526 269 K N -1.169 119.026 120.400 -0.341 0.000 2.474 269 K HA 0.115 4.435 4.320 -0.000 0.000 0.204 269 K C -0.405 175.739 176.600 -0.760 0.000 1.220 269 K CA 0.068 55.959 56.287 -0.661 0.000 0.966 269 K CB 1.153 32.973 32.500 -1.133 0.000 1.049 269 K HN 0.066 nan 8.250 nan 0.000 0.554 270 Y N 1.137 121.412 120.300 -0.042 0.000 2.524 270 Y HA 0.411 4.961 4.550 -0.000 0.000 0.347 270 Y C -0.396 175.472 175.900 -0.054 0.000 1.005 270 Y CA -1.389 56.672 58.100 -0.065 0.000 1.025 270 Y CB 1.607 40.066 38.460 -0.001 0.000 1.275 270 Y HN -0.095 nan 8.280 nan 0.000 0.460 271 R N 0.777 121.315 120.500 0.064 0.000 2.739 271 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 271 R C -2.076 174.187 176.300 -0.063 0.000 1.010 271 R CA -1.190 54.912 56.100 0.003 0.000 0.897 271 R CB 1.469 31.751 30.300 -0.029 0.000 1.236 271 R HN 0.559 nan 8.270 nan 0.000 0.466 272 L N 1.948 123.128 121.223 -0.073 0.000 2.455 272 L HA 0.344 4.684 4.340 -0.000 0.000 0.272 272 L C 0.041 176.762 176.870 -0.249 0.000 1.174 272 L CA 0.543 55.300 54.840 -0.139 0.000 0.869 272 L CB 0.782 42.789 42.059 -0.088 0.000 1.130 272 L HN 0.878 nan 8.230 nan 0.000 0.474 273 A N 3.627 126.156 122.820 -0.484 0.000 2.483 273 A HA 0.505 4.825 4.320 -0.000 0.000 0.238 273 A C 0.377 177.695 177.584 -0.443 0.000 1.070 273 A CA 0.365 51.961 52.037 -0.734 0.000 0.770 273 A CB -0.187 17.663 19.000 -1.917 0.000 1.008 273 A HN 0.881 nan 8.150 nan 0.000 0.497 274 T N -1.670 112.712 114.554 -0.286 0.000 2.910 274 T HA 0.411 4.761 4.350 -0.000 0.000 0.287 274 T C 0.641 175.355 174.700 0.024 0.000 1.050 274 T CA -0.168 61.886 62.100 -0.077 0.000 1.011 274 T CB 0.554 69.417 68.868 -0.008 0.000 1.195 274 T HN 0.576 nan 8.240 nan 0.000 0.540 275 Y N 0.709 121.029 120.300 0.034 0.000 2.315 275 Y HA -0.096 4.454 4.550 -0.000 0.000 0.288 275 Y C 1.755 177.731 175.900 0.128 0.000 1.154 275 Y CA 1.920 60.097 58.100 0.128 0.000 1.229 275 Y CB -0.403 38.147 38.460 0.149 0.000 0.980 275 Y HN 0.667 nan 8.280 nan 0.000 0.540 276 D N -0.036 120.428 120.400 0.106 0.000 2.348 276 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 276 D C -0.242 176.044 176.300 -0.024 0.000 0.970 276 D CA 0.755 54.775 54.000 0.034 0.000 0.889 276 D CB -0.241 40.611 40.800 0.085 0.000 0.912 276 D HN 0.389 nan 8.370 nan 0.000 0.524 277 D N 1.400 121.776 120.400 -0.041 0.000 2.325 277 D HA -0.005 4.635 4.640 -0.000 0.000 0.251 277 D C 0.258 176.537 176.300 -0.035 0.000 1.196 277 D CA -0.230 53.767 54.000 -0.005 0.000 0.866 277 D CB 0.562 41.341 40.800 -0.036 0.000 1.101 277 D HN -0.103 nan 8.370 nan 0.000 0.476 278 N N 3.926 122.574 118.700 -0.086 0.000 2.427 278 N HA 0.001 4.741 4.740 -0.000 0.000 0.269 278 N C -1.565 173.712 175.510 -0.387 0.000 1.235 278 N CA -1.538 51.329 53.050 -0.305 0.000 0.934 278 N CB 0.955 39.346 38.487 -0.160 0.000 1.121 278 N HN 0.153 nan 8.380 nan 0.000 0.480 279 P HA -0.052 nan 4.420 nan 0.000 0.234 279 P C 0.205 177.197 177.300 -0.514 0.000 1.167 279 P CA 1.004 63.552 63.100 -0.920 0.000 0.763 279 P CB -0.145 30.647 31.700 -1.513 0.000 0.835 280 W N 0.111 121.271 121.300 -0.233 0.000 3.278 280 W HA 0.280 4.940 4.660 0.000 0.000 0.308 280 W C 0.789 177.275 176.519 -0.055 0.000 1.253 280 W CA -0.701 56.555 57.345 -0.149 0.000 1.759 280 W CB 0.380 29.601 29.460 -0.397 0.000 1.093 280 W HN -0.054 nan 8.180 nan 0.000 0.648 281 E N 1.553 121.804 120.200 0.085 0.000 2.146 281 E HA 0.156 4.506 4.350 -0.000 0.000 0.282 281 E C -0.224 176.425 176.600 0.082 0.000 0.989 281 E CA -0.262 56.191 56.400 0.088 0.000 0.799 281 E CB 1.076 30.816 29.700 0.067 0.000 1.088 281 E HN -0.244 nan 8.360 nan 0.000 0.397 282 T N 4.696 119.292 114.554 0.070 0.000 2.888 282 T HA 0.008 4.358 4.350 -0.000 0.000 0.301 282 T C -0.043 174.718 174.700 0.102 0.000 1.001 282 T CA -0.019 62.116 62.100 0.058 0.000 1.147 282 T CB -0.108 68.771 68.868 0.018 0.000 0.931 282 T HN 0.302 nan 8.240 nan 0.000 0.541 283 F N 3.307 123.259 119.950 0.002 0.000 2.471 283 F HA 0.391 4.918 4.527 -0.000 0.000 0.353 283 F C 0.348 176.155 175.800 0.011 0.000 1.113 283 F CA -0.408 57.606 58.000 0.023 0.000 1.262 283 F CB 0.437 39.465 39.000 0.046 0.000 1.146 283 F HN 0.398 nan 8.300 nan 0.000 0.578 284 K N 5.135 125.008 120.400 -0.878 0.000 2.578 284 K HA 0.351 4.671 4.320 -0.000 0.000 0.250 284 K C -1.146 174.920 176.600 -0.890 0.000 0.955 284 K CA -0.931 54.974 56.287 -0.636 0.000 0.825 284 K CB 1.505 33.824 32.500 -0.302 0.000 1.151 284 K HN 0.590 nan 8.250 nan 0.000 0.432 285 N N 0.000 118.345 118.700 -0.592 0.000 1.763 285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 285 N CA 0.000 52.907 53.050 -0.239 0.000 0.885 285 N CB 0.000 38.418 38.487 -0.116 0.000 1.341 285 N HN 0.000 nan 8.380 nan 0.000 0.667