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 2w0u_1_D DATA FIRST_RESID 4 DATA SEQUENCE RLICINDYEQ HAKSVLPKSI YDYYRSGAND EETLADNIAA FSRWKLYPRM DATA SEQUENCE LRNVAETDLS TSVLGQRVSM PICVGATAMQ RMAHVDGELA TVRACQSLGT DATA SEQUENCE GMMLSSWATS SIEEVAEAGP EALRWLQLYI YKDREVTKKL VRQAEKMGYK DATA SEQUENCE AIFVTVDTPY LGNRLDDVRN RFKLXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE GLAAYVAKAI DPSISWEDIK WLRRLTSLPI VAKGILRGDD AREAVKHGLN DATA SEQUENCE GILVSNHGAR QLDGVPATID VLPEIVEAVE GKVEVFLDGG VRKGTDVLKA DATA SEQUENCE LALGAKAVFV GRPIVWGLAF QGEKGVQDVL EILKEEFRLA MALSGCQNVK DATA SEQUENCE VIDKTLVRKN 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.270 176.300 -0.050 0.000 0.893 4 R CA 0.000 56.154 56.100 0.089 0.000 0.921 4 R CB 0.000 30.350 30.300 0.084 0.000 0.687 5 L N 0.323 121.435 121.223 -0.185 0.000 0.590 5 L HA -0.257 4.083 4.340 -0.000 0.000 0.356 5 L C 0.892 177.715 176.870 -0.079 0.000 1.004 5 L CA 0.889 55.549 54.840 -0.301 0.000 1.223 5 L CB -0.788 40.742 42.059 -0.881 0.000 0.012 5 L HN 0.311 nan 8.230 nan 0.000 0.094 6 I N 0.813 121.346 120.570 -0.061 0.000 2.927 6 I HA 0.181 4.351 4.170 -0.000 0.000 0.268 6 I C 0.965 177.107 176.117 0.043 0.000 1.153 6 I CA 1.496 62.797 61.300 0.002 0.000 1.459 6 I CB 0.510 38.501 38.000 -0.014 0.000 1.149 6 I HN 0.804 nan 8.210 nan 0.000 0.443 7 C N -2.086 117.247 119.300 0.054 0.000 3.108 7 C HA 0.525 4.985 4.460 -0.000 0.000 0.321 7 C C 1.667 176.754 174.990 0.162 0.000 1.357 7 C CA -0.984 58.081 59.018 0.079 0.000 1.562 7 C CB 0.360 28.123 27.740 0.038 0.000 2.003 7 C HN 0.263 nan 8.230 nan 0.000 0.460 8 I N 1.742 122.386 120.570 0.122 0.000 2.394 8 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 8 I C 2.414 178.640 176.117 0.181 0.000 1.136 8 I CA 1.319 62.714 61.300 0.159 0.000 1.425 8 I CB -0.564 37.480 38.000 0.074 0.000 1.079 8 I HN 0.677 nan 8.210 nan 0.000 0.425 9 N N 0.622 119.381 118.700 0.098 0.000 2.205 9 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 9 N C 1.280 176.787 175.510 -0.005 0.000 1.015 9 N CA 1.388 54.465 53.050 0.046 0.000 0.862 9 N CB -0.227 38.276 38.487 0.027 0.000 0.986 9 N HN 0.406 nan 8.380 nan 0.000 0.429 10 D N 0.015 120.408 120.400 -0.012 0.000 2.117 10 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 10 D C 1.739 177.925 176.300 -0.191 0.000 0.987 10 D CA 0.931 54.856 54.000 -0.125 0.000 0.829 10 D CB -0.498 40.180 40.800 -0.202 0.000 0.961 10 D HN 0.370 nan 8.370 nan 0.000 0.460 11 Y N 1.304 121.511 120.300 -0.155 0.000 2.224 11 Y HA -0.129 4.421 4.550 -0.000 0.000 0.289 11 Y C 2.527 178.340 175.900 -0.146 0.000 1.146 11 Y CA 1.219 59.239 58.100 -0.134 0.000 1.182 11 Y CB -0.047 38.403 38.460 -0.017 0.000 0.983 11 Y HN 0.010 nan 8.280 nan 0.000 0.524 12 E N 0.149 120.230 120.200 -0.199 0.000 2.072 12 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 12 E C 1.963 178.269 176.600 -0.491 0.000 0.985 12 E CA 1.152 57.092 56.400 -0.767 0.000 0.801 12 E CB -0.031 29.225 29.700 -0.739 0.000 0.750 12 E HN 0.576 nan 8.360 nan 0.000 0.452 13 Q N -0.742 118.895 119.800 -0.271 0.000 2.096 13 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 13 Q C 2.086 177.966 176.000 -0.200 0.000 0.982 13 Q CA 1.846 57.516 55.803 -0.221 0.000 0.850 13 Q CB -0.258 28.395 28.738 -0.140 0.000 0.901 13 Q HN 0.448 nan 8.270 nan 0.000 0.422 14 H N -0.059 118.883 119.070 -0.212 0.000 2.389 14 H HA -0.005 4.551 4.556 -0.000 0.000 0.299 14 H C 1.856 177.151 175.328 -0.056 0.000 1.081 14 H CA 1.460 57.442 56.048 -0.110 0.000 1.345 14 H CB 0.044 29.756 29.762 -0.083 0.000 1.393 14 H HN 0.262 nan 8.280 nan 0.000 0.520 15 A N 0.768 123.590 122.820 0.003 0.000 1.930 15 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 15 A C 2.264 179.727 177.584 -0.201 0.000 1.175 15 A CA 1.598 53.664 52.037 0.047 0.000 0.627 15 A CB -0.552 18.552 19.000 0.174 0.000 0.815 15 A HN 0.492 nan 8.150 nan 0.000 0.443 16 K N -0.214 119.849 120.400 -0.562 0.000 2.063 16 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 16 K C 2.276 178.608 176.600 -0.446 0.000 1.048 16 K CA 1.652 57.398 56.287 -0.900 0.000 0.928 16 K CB -0.181 31.749 32.500 -0.951 0.000 0.713 16 K HN 0.432 nan 8.250 nan 0.000 0.442 17 S N 0.019 115.518 115.700 -0.335 0.000 2.335 17 S HA -0.113 4.357 4.470 -0.000 0.000 0.216 17 S C 1.880 176.371 174.600 -0.181 0.000 1.032 17 S CA 1.368 59.418 58.200 -0.250 0.000 1.000 17 S CB -0.185 62.838 63.200 -0.295 0.000 0.928 17 S HN 0.142 nan 8.310 nan 0.000 0.434 18 V N 1.863 121.650 119.914 -0.212 0.000 2.469 18 V HA -0.051 4.069 4.120 -0.000 0.000 0.251 18 V C 0.957 177.071 176.094 0.034 0.000 1.064 18 V CA 1.105 63.358 62.300 -0.077 0.000 1.066 18 V CB -0.660 31.149 31.823 -0.024 0.000 0.667 18 V HN 0.300 nan 8.190 nan 0.000 0.461 19 L N 1.099 122.365 121.223 0.072 0.000 2.334 19 L HA 0.350 4.690 4.340 -0.000 0.000 0.277 19 L C -2.188 174.768 176.870 0.143 0.000 1.075 19 L CA -1.877 53.070 54.840 0.178 0.000 0.804 19 L CB 0.729 42.997 42.059 0.348 0.000 1.174 19 L HN 0.067 nan 8.230 nan 0.000 0.438 20 P HA 0.039 nan 4.420 nan 0.000 0.271 20 P C 0.300 177.720 177.300 0.199 0.000 1.216 20 P CA -0.371 62.810 63.100 0.136 0.000 0.771 20 P CB 0.731 32.500 31.700 0.114 0.000 0.864 21 K N 2.133 122.633 120.400 0.167 0.000 2.066 21 K HA -0.295 4.025 4.320 -0.000 0.000 0.221 21 K C 1.922 178.676 176.600 0.258 0.000 1.056 21 K CA 2.599 59.015 56.287 0.216 0.000 0.950 21 K CB -0.714 31.875 32.500 0.148 0.000 0.726 21 K HN 0.418 nan 8.250 nan 0.000 0.456 22 S N 0.299 116.131 115.700 0.221 0.000 2.372 22 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 22 S C 2.012 176.847 174.600 0.392 0.000 1.044 22 S CA 1.767 60.132 58.200 0.275 0.000 1.050 22 S CB -0.204 63.131 63.200 0.225 0.000 0.901 22 S HN 0.388 nan 8.310 nan 0.000 0.447 23 I N -0.473 120.319 120.570 0.371 0.000 2.400 23 I HA -0.034 4.136 4.170 -0.000 0.000 0.248 23 I C 2.220 178.564 176.117 0.378 0.000 1.109 23 I CA 1.106 62.635 61.300 0.382 0.000 1.425 23 I CB -0.506 37.687 38.000 0.322 0.000 1.094 23 I HN 0.376 nan 8.210 nan 0.000 0.425 24 Y N 2.186 122.688 120.300 0.337 0.000 2.128 24 Y HA -0.334 4.216 4.550 -0.000 0.000 0.284 24 Y C 2.146 178.246 175.900 0.333 0.000 1.154 24 Y CA 1.769 60.114 58.100 0.408 0.000 1.149 24 Y CB -0.447 38.164 38.460 0.251 0.000 0.976 24 Y HN 0.185 nan 8.280 nan 0.000 0.505 25 D N -0.913 119.524 120.400 0.062 0.000 2.117 25 D HA -0.238 4.402 4.640 -0.000 0.000 0.197 25 D C 2.002 178.222 176.300 -0.133 0.000 0.987 25 D CA 1.693 55.638 54.000 -0.092 0.000 0.829 25 D CB -0.809 40.009 40.800 0.029 0.000 0.961 25 D HN 0.544 nan 8.370 nan 0.000 0.460 26 Y N 0.660 120.803 120.300 -0.261 0.000 2.114 26 Y HA -0.337 4.213 4.550 -0.000 0.000 0.282 26 Y C 2.007 177.741 175.900 -0.277 0.000 1.165 26 Y CA 1.669 59.489 58.100 -0.467 0.000 1.148 26 Y CB -0.673 37.255 38.460 -0.886 0.000 0.972 26 Y HN -0.034 nan 8.280 nan 0.000 0.504 27 Y N 0.154 120.291 120.300 -0.271 0.000 2.314 27 Y HA -0.069 4.481 4.550 -0.000 0.000 0.293 27 Y C 2.822 178.566 175.900 -0.260 0.000 1.129 27 Y CA 1.569 59.457 58.100 -0.353 0.000 1.201 27 Y CB -0.547 37.834 38.460 -0.132 0.000 0.999 27 Y HN 0.136 nan 8.280 nan 0.000 0.541 28 R N -0.093 120.394 120.500 -0.023 0.000 2.140 28 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 28 R C 0.693 176.951 176.300 -0.070 0.000 1.059 28 R CA 0.352 56.446 56.100 -0.011 0.000 1.000 28 R CB -0.096 29.994 30.300 -0.349 0.000 0.910 28 R HN 0.118 nan 8.270 nan 0.000 0.455 29 S N -0.012 115.601 115.700 -0.144 0.000 2.563 29 S HA 0.208 4.678 4.470 -0.000 0.000 0.284 29 S C 0.335 174.889 174.600 -0.077 0.000 1.331 29 S CA 0.092 58.227 58.200 -0.109 0.000 1.047 29 S CB 1.343 64.464 63.200 -0.132 0.000 0.859 29 S HN 0.469 nan 8.310 nan 0.000 0.514 30 G N 0.382 109.158 108.800 -0.040 0.000 2.702 30 G HA2 0.685 4.645 3.960 -0.000 0.000 0.254 30 G HA3 0.685 4.645 3.960 -0.000 0.000 0.254 30 G C -0.657 174.225 174.900 -0.030 0.000 1.380 30 G CA -0.440 44.647 45.100 -0.022 0.000 1.042 30 G HN 0.924 nan 8.290 nan 0.000 0.557 31 A N -1.035 121.774 122.820 -0.018 0.000 2.303 31 A HA 0.610 4.930 4.320 -0.000 0.000 0.317 31 A C 0.839 178.414 177.584 -0.015 0.000 1.149 31 A CA 0.245 52.268 52.037 -0.023 0.000 0.822 31 A CB 0.097 19.084 19.000 -0.022 0.000 1.131 31 A HN 0.921 nan 8.150 nan 0.000 0.493 32 N N 0.835 119.524 118.700 -0.017 0.000 1.154 32 N HA -0.266 4.474 4.740 -0.000 0.000 0.135 32 N C 0.085 175.592 175.510 -0.005 0.000 0.562 32 N CA 2.247 55.290 53.050 -0.012 0.000 0.947 32 N CB -0.714 37.766 38.487 -0.011 0.000 1.354 32 N HN 0.744 nan 8.380 nan 0.000 0.505 33 D N 1.966 122.366 120.400 -0.001 0.000 2.349 33 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 33 D C -0.142 176.163 176.300 0.009 0.000 1.029 33 D CA 0.649 54.651 54.000 0.004 0.000 0.879 33 D CB -0.309 40.494 40.800 0.005 0.000 0.906 33 D HN 0.549 nan 8.370 nan 0.000 0.528 34 E N -0.626 119.579 120.200 0.008 0.000 2.637 34 E HA -0.279 4.071 4.350 -0.000 0.000 0.265 34 E C 0.661 177.274 176.600 0.022 0.000 1.073 34 E CA 0.340 56.749 56.400 0.014 0.000 0.778 34 E CB -1.494 28.215 29.700 0.015 0.000 1.362 34 E HN 0.396 nan 8.360 nan 0.000 0.413 35 E N 0.054 120.265 120.200 0.019 0.000 2.038 35 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 35 E C 1.956 178.573 176.600 0.029 0.000 1.000 35 E CA 2.069 58.482 56.400 0.022 0.000 0.803 35 E CB -0.013 29.697 29.700 0.017 0.000 0.750 35 E HN 0.358 nan 8.360 nan 0.000 0.448 36 T N 1.260 115.831 114.554 0.029 0.000 2.867 36 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 36 T C 1.751 176.479 174.700 0.048 0.000 1.057 36 T CA 0.607 62.728 62.100 0.036 0.000 1.136 36 T CB -0.187 68.702 68.868 0.034 0.000 0.874 36 T HN 0.017 nan 8.240 nan 0.000 0.466 37 L N 1.722 122.972 121.223 0.045 0.000 2.012 37 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 37 L C 2.624 179.536 176.870 0.071 0.000 1.073 37 L CA 2.016 56.890 54.840 0.057 0.000 0.748 37 L CB -1.071 41.015 42.059 0.045 0.000 0.891 37 L HN 0.248 nan 8.230 nan 0.000 0.431 38 A N -1.432 121.425 122.820 0.061 0.000 1.929 38 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 38 A C 2.098 179.727 177.584 0.075 0.000 1.176 38 A CA 1.585 53.663 52.037 0.068 0.000 0.628 38 A CB -0.770 18.261 19.000 0.053 0.000 0.816 38 A HN 0.530 nan 8.150 nan 0.000 0.444 39 D N 0.012 120.449 120.400 0.062 0.000 2.178 39 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 39 D C 1.612 177.954 176.300 0.069 0.000 0.974 39 D CA 0.954 54.988 54.000 0.057 0.000 0.841 39 D CB -0.229 40.594 40.800 0.038 0.000 0.953 39 D HN 0.300 nan 8.370 nan 0.000 0.478 40 N N 0.237 118.988 118.700 0.085 0.000 2.094 40 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 40 N C 1.735 177.386 175.510 0.234 0.000 1.023 40 N CA 0.795 53.915 53.050 0.117 0.000 0.857 40 N CB -0.167 38.401 38.487 0.135 0.000 1.013 40 N HN 0.294 nan 8.380 nan 0.000 0.426 41 I N 0.628 121.337 120.570 0.231 0.000 2.162 41 I HA -0.058 4.112 4.170 -0.000 0.000 0.238 41 I C 2.330 178.613 176.117 0.278 0.000 1.076 41 I CA 0.748 62.222 61.300 0.290 0.000 1.353 41 I CB -1.715 36.393 38.000 0.181 0.000 1.063 41 I HN -0.000 nan 8.210 nan 0.000 0.408 42 A N 1.336 124.257 122.820 0.169 0.000 1.917 42 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 42 A C 2.545 180.211 177.584 0.136 0.000 1.182 42 A CA 2.530 54.645 52.037 0.130 0.000 0.633 42 A CB -0.982 18.066 19.000 0.080 0.000 0.819 42 A HN 0.452 nan 8.150 nan 0.000 0.448 43 A N -1.533 121.347 122.820 0.100 0.000 1.978 43 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 43 A C 1.969 179.657 177.584 0.173 0.000 1.170 43 A CA 1.446 53.523 52.037 0.067 0.000 0.636 43 A CB -0.782 18.217 19.000 -0.001 0.000 0.810 43 A HN 0.529 nan 8.150 nan 0.000 0.448 44 F N 0.115 120.196 119.950 0.219 0.000 2.171 44 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 44 F C 2.777 178.703 175.800 0.210 0.000 1.090 44 F CA 1.469 59.611 58.000 0.236 0.000 1.293 44 F CB -0.069 39.018 39.000 0.144 0.000 1.013 44 F HN 0.154 nan 8.300 nan 0.000 0.486 45 S N -0.372 115.517 115.700 0.316 0.000 2.423 45 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 45 S C 1.841 176.521 174.600 0.133 0.000 1.014 45 S CA 0.774 59.089 58.200 0.192 0.000 0.965 45 S CB -0.203 63.075 63.200 0.130 0.000 0.785 45 S HN 0.327 nan 8.310 nan 0.000 0.495 46 R N -0.699 119.854 120.500 0.089 0.000 2.276 46 R HA 0.011 4.351 4.340 -0.000 0.000 0.203 46 R C -0.379 175.851 176.300 -0.116 0.000 1.017 46 R CA 0.324 56.393 56.100 -0.052 0.000 1.010 46 R CB 0.013 30.225 30.300 -0.148 0.000 0.900 46 R HN 0.364 nan 8.270 nan 0.000 0.469 47 W N 2.725 124.072 121.300 0.077 0.000 2.357 47 W HA 0.198 4.858 4.660 -0.000 0.000 0.317 47 W C 0.136 176.718 176.519 0.105 0.000 1.101 47 W CA -0.598 56.804 57.345 0.095 0.000 1.380 47 W CB 0.680 30.200 29.460 0.100 0.000 1.266 47 W HN -0.348 nan 8.180 nan 0.000 0.419 48 K N 4.121 124.702 120.400 0.301 0.000 2.144 48 K HA 0.465 4.785 4.320 -0.000 0.000 0.270 48 K C -0.447 176.253 176.600 0.167 0.000 1.005 48 K CA -0.831 55.549 56.287 0.155 0.000 0.932 48 K CB 1.478 34.003 32.500 0.042 0.000 1.021 48 K HN 0.427 nan 8.250 nan 0.000 0.462 49 L N 2.459 123.668 121.223 -0.023 0.000 2.309 49 L HA 0.315 4.655 4.340 -0.000 0.000 0.282 49 L C -0.578 176.159 176.870 -0.222 0.000 1.036 49 L CA -0.688 54.157 54.840 0.008 0.000 0.806 49 L CB 0.516 42.588 42.059 0.022 0.000 1.220 49 L HN 0.499 nan 8.230 nan 0.000 0.429 50 Y N 3.169 123.505 120.300 0.061 0.000 2.837 50 Y HA 0.269 4.819 4.550 -0.000 0.000 0.356 50 Y C -1.926 173.992 175.900 0.030 0.000 1.035 50 Y CA -2.238 55.889 58.100 0.044 0.000 1.165 50 Y CB 0.373 38.862 38.460 0.048 0.000 1.147 50 Y HN 0.395 nan 8.280 nan 0.000 0.628 51 P HA 0.124 nan 4.420 nan 0.000 0.268 51 P C -0.316 177.020 177.300 0.059 0.000 1.205 51 P CA -0.139 62.993 63.100 0.054 0.000 0.771 51 P CB 1.091 32.798 31.700 0.013 0.000 0.858 52 R N 2.337 122.863 120.500 0.043 0.000 2.349 52 R HA 0.446 4.786 4.340 -0.000 0.000 0.299 52 R C 0.393 176.704 176.300 0.018 0.000 1.027 52 R CA -0.682 55.439 56.100 0.034 0.000 0.958 52 R CB 0.658 30.974 30.300 0.027 0.000 1.047 52 R HN 0.460 nan 8.270 nan 0.000 0.468 53 M N 3.049 122.660 119.600 0.017 0.000 2.409 53 M HA 0.254 4.734 4.480 -0.000 0.000 0.329 53 M C 0.458 176.761 176.300 0.006 0.000 1.180 53 M CA -0.575 54.731 55.300 0.009 0.000 1.053 53 M CB 0.779 33.386 32.600 0.011 0.000 1.586 53 M HN 0.607 nan 8.290 nan 0.000 0.461 54 L N 1.060 122.284 121.223 0.002 0.000 3.548 54 L HA -0.250 4.090 4.340 -0.000 0.000 0.443 54 L C -0.295 176.575 176.870 -0.000 0.000 1.286 54 L CA 0.344 55.185 54.840 0.001 0.000 0.863 54 L CB -1.462 40.599 42.059 0.003 0.000 1.734 54 L HN 0.703 nan 8.230 nan 0.000 0.873 55 R N 0.381 120.880 120.500 -0.003 0.000 2.637 55 R HA 0.360 4.700 4.340 -0.000 0.000 0.291 55 R C 0.252 176.548 176.300 -0.007 0.000 0.963 55 R CA -1.023 55.075 56.100 -0.004 0.000 0.901 55 R CB 1.240 31.538 30.300 -0.004 0.000 1.160 55 R HN 0.038 nan 8.270 nan 0.000 0.457 56 N N 2.397 121.093 118.700 -0.006 0.000 2.423 56 N HA -0.025 4.715 4.740 -0.000 0.000 0.275 56 N C 0.229 175.732 175.510 -0.012 0.000 1.283 56 N CA 0.198 53.243 53.050 -0.008 0.000 0.932 56 N CB 0.637 39.120 38.487 -0.006 0.000 1.185 56 N HN 0.460 nan 8.380 nan 0.000 0.483 57 V N 1.710 121.614 119.914 -0.016 0.000 2.887 57 V HA 0.444 4.564 4.120 -0.000 0.000 0.370 57 V C 1.346 177.427 176.094 -0.022 0.000 1.322 57 V CA -0.105 62.181 62.300 -0.023 0.000 1.267 57 V CB -0.110 31.694 31.823 -0.032 0.000 1.344 57 V HN 0.477 nan 8.190 nan 0.000 0.573 58 A N 0.405 123.215 122.820 -0.015 0.000 1.898 58 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 58 A C 1.325 178.902 177.584 -0.012 0.000 1.183 58 A CA 0.953 52.983 52.037 -0.013 0.000 0.622 58 A CB -0.057 18.937 19.000 -0.009 0.000 0.824 58 A HN 0.522 nan 8.150 nan 0.000 0.444 59 E N 1.618 121.811 120.200 -0.011 0.000 2.597 59 E HA 0.182 4.532 4.350 -0.000 0.000 0.235 59 E C -0.928 175.666 176.600 -0.010 0.000 1.155 59 E CA -0.167 56.229 56.400 -0.008 0.000 1.199 59 E CB -0.218 29.480 29.700 -0.004 0.000 1.409 59 E HN 0.237 nan 8.360 nan 0.000 0.453 60 T N 1.862 116.406 114.554 -0.017 0.000 2.761 60 T HA 0.005 4.355 4.350 -0.000 0.000 0.287 60 T C 0.033 174.728 174.700 -0.008 0.000 0.931 60 T CA 0.178 62.263 62.100 -0.025 0.000 1.164 60 T CB 0.363 69.201 68.868 -0.049 0.000 0.876 60 T HN 0.083 nan 8.240 nan 0.000 0.534 61 D N 3.164 123.566 120.400 0.003 0.000 2.303 61 D HA 0.242 4.882 4.640 -0.000 0.000 0.236 61 D C 0.248 176.583 176.300 0.058 0.000 1.068 61 D CA -0.783 53.232 54.000 0.026 0.000 0.830 61 D CB 1.192 42.006 40.800 0.023 0.000 1.109 61 D HN 0.129 nan 8.370 nan 0.000 0.496 62 L N 2.442 123.719 121.223 0.091 0.000 2.585 62 L HA 0.121 4.461 4.340 -0.000 0.000 0.226 62 L C 1.010 177.960 176.870 0.132 0.000 1.113 62 L CA 0.196 55.146 54.840 0.183 0.000 0.876 62 L CB -0.782 41.415 42.059 0.231 0.000 1.072 62 L HN 0.384 nan 8.230 nan 0.000 0.468 63 S N -1.553 114.193 115.700 0.076 0.000 2.560 63 S HA 0.382 4.852 4.470 -0.000 0.000 0.284 63 S C 0.359 174.993 174.600 0.056 0.000 1.327 63 S CA -0.092 58.138 58.200 0.051 0.000 1.055 63 S CB 1.504 64.725 63.200 0.035 0.000 0.868 63 S HN 0.263 nan 8.310 nan 0.000 0.506 64 T N 0.625 115.207 114.554 0.047 0.000 2.598 64 T HA 0.717 5.067 4.350 -0.000 0.000 0.289 64 T C -1.329 173.406 174.700 0.058 0.000 1.056 64 T CA -0.150 61.982 62.100 0.053 0.000 1.088 64 T CB 0.902 69.804 68.868 0.056 0.000 1.519 64 T HN 1.288 nan 8.240 nan 0.000 0.488 65 S N 0.167 115.913 115.700 0.077 0.000 2.549 65 S HA 0.749 5.219 4.470 -0.000 0.000 0.280 65 S C -1.458 173.230 174.600 0.148 0.000 1.109 65 S CA -0.686 57.575 58.200 0.101 0.000 0.905 65 S CB 1.590 64.844 63.200 0.089 0.000 1.081 65 S HN 0.586 nan 8.310 nan 0.000 0.477 66 V N 3.592 123.622 119.914 0.193 0.000 2.350 66 V HA 0.426 4.546 4.120 -0.000 0.000 0.285 66 V C 0.027 176.271 176.094 0.251 0.000 1.014 66 V CA -0.852 61.593 62.300 0.241 0.000 0.831 66 V CB 0.368 32.302 31.823 0.185 0.000 1.000 66 V HN 0.999 nan 8.190 nan 0.000 0.433 67 L N 5.415 126.784 121.223 0.243 0.000 3.677 67 L HA -0.267 4.073 4.340 -0.000 0.000 0.464 67 L C 1.435 178.395 176.870 0.151 0.000 1.278 67 L CA 0.677 55.627 54.840 0.183 0.000 0.806 67 L CB -1.816 40.330 42.059 0.145 0.000 1.610 67 L HN 1.090 nan 8.230 nan 0.000 0.867 68 G N -2.268 106.608 108.800 0.127 0.000 2.320 68 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 68 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 68 G C 0.303 175.262 174.900 0.099 0.000 1.033 68 G CA 0.360 45.518 45.100 0.097 0.000 0.620 68 G HN 0.419 nan 8.290 nan 0.000 0.517 69 Q N 0.692 120.574 119.800 0.137 0.000 2.267 69 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 69 Q C 0.531 176.594 176.000 0.105 0.000 0.923 69 Q CA -0.566 55.306 55.803 0.116 0.000 0.925 69 Q CB 1.499 30.323 28.738 0.143 0.000 1.195 69 Q HN 0.473 nan 8.270 nan 0.000 0.417 70 R N 1.119 121.654 120.500 0.060 0.000 2.590 70 R HA 0.280 4.620 4.340 -0.000 0.000 0.274 70 R C -0.510 175.812 176.300 0.037 0.000 1.061 70 R CA 0.039 56.166 56.100 0.045 0.000 1.081 70 R CB 0.382 30.696 30.300 0.024 0.000 0.984 70 R HN 0.476 nan 8.270 nan 0.000 0.448 71 V N 0.759 120.695 119.914 0.036 0.000 3.078 71 V HA 0.437 4.557 4.120 -0.000 0.000 0.311 71 V C 0.590 176.686 176.094 0.004 0.000 1.138 71 V CA -0.174 62.134 62.300 0.013 0.000 1.007 71 V CB 1.925 33.764 31.823 0.028 0.000 1.045 71 V HN 0.877 nan 8.190 nan 0.000 0.432 72 S N 1.615 117.307 115.700 -0.013 0.000 2.496 72 S HA 0.244 4.714 4.470 -0.000 0.000 0.224 72 S C 0.490 175.091 174.600 0.002 0.000 0.996 72 S CA 0.813 59.010 58.200 -0.005 0.000 0.927 72 S CB -0.401 62.790 63.200 -0.014 0.000 0.774 72 S HN 1.250 nan 8.310 nan 0.000 0.524 73 M N -1.428 118.155 119.600 -0.029 0.000 2.534 73 M HA 0.486 4.966 4.480 -0.000 0.000 0.280 73 M C -3.176 173.037 176.300 -0.145 0.000 1.217 73 M CA -1.705 53.554 55.300 -0.067 0.000 0.893 73 M CB 1.709 34.258 32.600 -0.085 0.000 1.730 73 M HN -0.305 nan 8.290 nan 0.000 0.483 74 P HA 0.337 nan 4.420 nan 0.000 0.235 74 P C -0.936 176.142 177.300 -0.370 0.000 1.725 74 P CA 0.349 63.289 63.100 -0.266 0.000 0.894 74 P CB -0.696 30.854 31.700 -0.249 0.000 1.704 75 I N 0.159 120.528 120.570 -0.335 0.000 2.468 75 I HA 0.291 4.461 4.170 -0.000 0.000 0.284 75 I C -0.148 175.808 176.117 -0.269 0.000 1.038 75 I CA -0.556 60.550 61.300 -0.324 0.000 1.083 75 I CB 1.615 39.444 38.000 -0.286 0.000 1.223 75 I HN -0.017 nan 8.210 nan 0.000 0.443 76 C N 4.558 123.640 119.300 -0.364 0.000 2.719 76 C HA 0.598 5.058 4.460 -0.000 0.000 0.327 76 C C 0.252 175.207 174.990 -0.059 0.000 1.238 76 C CA -0.858 58.026 59.018 -0.225 0.000 1.727 76 C CB 2.145 29.689 27.740 -0.327 0.000 2.256 76 C HN 0.415 nan 8.230 nan 0.000 0.489 77 V N 2.518 122.483 119.914 0.086 0.000 2.432 77 V HA 0.498 4.618 4.120 -0.000 0.000 0.271 77 V C 1.005 177.224 176.094 0.209 0.000 1.046 77 V CA 0.479 62.833 62.300 0.090 0.000 0.945 77 V CB 0.704 32.540 31.823 0.021 0.000 0.992 77 V HN 1.095 nan 8.190 nan 0.000 0.471 78 G N 3.563 112.448 108.800 0.140 0.000 2.616 78 G HA2 0.518 4.478 3.960 -0.000 0.000 0.268 78 G HA3 0.518 4.478 3.960 -0.000 0.000 0.268 78 G C 0.117 174.969 174.900 -0.079 0.000 1.213 78 G CA -0.163 44.936 45.100 -0.002 0.000 0.926 78 G HN 1.073 nan 8.290 nan 0.000 0.523 79 A N 0.557 123.272 122.820 -0.175 0.000 2.444 79 A HA 0.563 4.883 4.320 -0.000 0.000 0.273 79 A C 0.688 178.234 177.584 -0.064 0.000 1.136 79 A CA 0.287 52.260 52.037 -0.107 0.000 0.799 79 A CB -0.452 18.460 19.000 -0.146 0.000 1.081 79 A HN 1.227 nan 8.150 nan 0.000 0.509 80 T N 0.552 115.106 114.554 -0.001 0.000 2.840 80 T HA 0.693 5.043 4.350 -0.000 0.000 0.287 80 T C -0.034 174.762 174.700 0.159 0.000 0.991 80 T CA -0.031 62.102 62.100 0.054 0.000 0.964 80 T CB 1.380 70.242 68.868 -0.011 0.000 0.954 80 T HN 1.334 nan 8.240 nan 0.000 0.438 81 A N 4.953 127.924 122.820 0.253 0.000 2.466 81 A HA 0.557 4.877 4.320 -0.000 0.000 0.238 81 A C 1.157 178.949 177.584 0.345 0.000 1.074 81 A CA -0.471 51.756 52.037 0.317 0.000 0.774 81 A CB -0.705 18.518 19.000 0.372 0.000 1.015 81 A HN 1.300 nan 8.150 nan 0.000 0.498 82 M N 0.332 120.098 119.600 0.276 0.000 2.298 82 M HA -0.219 4.261 4.480 -0.000 0.000 0.196 82 M C 0.545 177.033 176.300 0.314 0.000 0.531 82 M CA 0.772 56.217 55.300 0.242 0.000 0.459 82 M CB -1.980 30.715 32.600 0.158 0.000 1.279 82 M HN 0.944 nan 8.290 nan 0.000 0.915 83 Q N -0.016 119.930 119.800 0.243 0.000 2.364 83 Q HA -0.022 4.318 4.340 -0.000 0.000 0.207 83 Q C 1.808 177.936 176.000 0.213 0.000 0.970 83 Q CA 0.975 56.903 55.803 0.208 0.000 0.888 83 Q CB 0.096 28.903 28.738 0.114 0.000 0.951 83 Q HN 0.614 nan 8.270 nan 0.000 0.469 84 R N -0.171 120.442 120.500 0.188 0.000 2.280 84 R HA 0.034 4.374 4.340 -0.000 0.000 0.207 84 R C 1.740 178.140 176.300 0.167 0.000 1.043 84 R CA 0.604 56.797 56.100 0.155 0.000 1.006 84 R CB 0.069 30.431 30.300 0.103 0.000 0.885 84 R HN 0.346 nan 8.270 nan 0.000 0.467 85 M N -0.857 118.885 119.600 0.236 0.000 2.419 85 M HA 0.036 4.516 4.480 -0.000 0.000 0.264 85 M C 2.122 178.628 176.300 0.344 0.000 1.082 85 M CA 0.996 56.446 55.300 0.250 0.000 1.119 85 M CB 0.159 32.909 32.600 0.251 0.000 1.398 85 M HN 0.129 nan 8.290 nan 0.000 0.453 86 A N -1.075 121.973 122.820 0.381 0.000 1.984 86 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 86 A C 0.845 178.621 177.584 0.319 0.000 1.173 86 A CA 0.818 53.064 52.037 0.348 0.000 0.673 86 A CB 0.127 19.237 19.000 0.184 0.000 0.830 86 A HN 0.505 nan 8.150 nan 0.000 0.453 87 H N -1.649 117.509 119.070 0.147 0.000 3.112 87 H HA 0.214 4.770 4.556 -0.000 0.000 0.347 87 H C 0.445 175.824 175.328 0.085 0.000 1.188 87 H CA -0.067 56.045 56.048 0.107 0.000 1.240 87 H CB 1.709 31.527 29.762 0.092 0.000 1.920 87 H HN -0.102 nan 8.280 nan 0.000 0.535 88 V N 2.520 122.219 119.914 -0.360 0.000 2.370 88 V HA -0.245 3.875 4.120 -0.000 0.000 0.252 88 V C 1.425 177.533 176.094 0.024 0.000 1.068 88 V CA 2.280 64.481 62.300 -0.164 0.000 1.061 88 V CB -0.244 31.437 31.823 -0.236 0.000 0.656 88 V HN 0.653 nan 8.190 nan 0.000 0.455 89 D N -0.375 120.158 120.400 0.223 0.000 2.348 89 D HA 0.191 4.831 4.640 -0.000 0.000 0.211 89 D C 1.778 178.191 176.300 0.190 0.000 0.998 89 D CA 0.963 55.105 54.000 0.237 0.000 0.873 89 D CB 0.127 41.099 40.800 0.286 0.000 0.925 89 D HN 0.439 nan 8.370 nan 0.000 0.524 90 G N 2.035 110.967 108.800 0.220 0.000 2.685 90 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.357 90 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.357 90 G C 1.158 176.113 174.900 0.093 0.000 1.272 90 G CA 1.186 46.375 45.100 0.148 0.000 0.972 90 G HN 0.268 nan 8.290 nan 0.000 0.550 91 E N 0.497 120.746 120.200 0.081 0.000 2.209 91 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 91 E C 2.703 179.327 176.600 0.040 0.000 0.993 91 E CA 1.298 57.733 56.400 0.059 0.000 0.819 91 E CB -0.218 29.524 29.700 0.069 0.000 0.745 91 E HN 0.527 nan 8.360 nan 0.000 0.477 92 L N -0.266 120.986 121.223 0.047 0.000 2.109 92 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 92 L C 2.396 179.276 176.870 0.016 0.000 1.086 92 L CA 0.920 55.778 54.840 0.031 0.000 0.760 92 L CB -0.536 41.547 42.059 0.041 0.000 0.910 92 L HN 0.139 nan 8.230 nan 0.000 0.437 93 A N 0.120 122.955 122.820 0.023 0.000 1.877 93 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 93 A C 2.400 179.965 177.584 -0.031 0.000 1.186 93 A CA 2.438 54.467 52.037 -0.013 0.000 0.620 93 A CB -0.994 17.977 19.000 -0.049 0.000 0.822 93 A HN 0.376 nan 8.150 nan 0.000 0.443 94 T N -0.668 113.872 114.554 -0.023 0.000 2.622 94 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 94 T C 1.865 176.538 174.700 -0.044 0.000 1.047 94 T CA 1.668 63.748 62.100 -0.034 0.000 1.159 94 T CB -0.750 68.106 68.868 -0.020 0.000 0.863 94 T HN 0.209 nan 8.240 nan 0.000 0.422 95 V N 1.364 121.255 119.914 -0.039 0.000 2.392 95 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 95 V C 2.591 178.643 176.094 -0.070 0.000 1.059 95 V CA 1.825 64.086 62.300 -0.064 0.000 1.051 95 V CB -0.430 31.357 31.823 -0.060 0.000 0.658 95 V HN 0.377 nan 8.190 nan 0.000 0.455 96 R N -0.267 120.203 120.500 -0.050 0.000 2.073 96 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 96 R C 2.437 178.706 176.300 -0.052 0.000 1.134 96 R CA 1.518 57.589 56.100 -0.047 0.000 0.952 96 R CB -0.664 29.617 30.300 -0.032 0.000 0.850 96 R HN 0.606 nan 8.270 nan 0.000 0.433 97 A N 0.567 123.356 122.820 -0.052 0.000 1.883 97 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 97 A C 2.399 179.945 177.584 -0.064 0.000 1.186 97 A CA 1.642 53.647 52.037 -0.054 0.000 0.624 97 A CB -0.935 18.031 19.000 -0.057 0.000 0.822 97 A HN 0.485 nan 8.150 nan 0.000 0.444 98 C N -1.170 118.085 119.300 -0.075 0.000 2.429 98 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 98 C C 2.855 177.786 174.990 -0.098 0.000 1.262 98 C CA 1.269 60.231 59.018 -0.093 0.000 1.733 98 C CB -1.329 26.341 27.740 -0.117 0.000 2.010 98 C HN 0.786 nan 8.230 nan 0.000 0.483 99 Q N 0.988 120.731 119.800 -0.095 0.000 2.050 99 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 99 Q C 2.236 178.195 176.000 -0.069 0.000 0.980 99 Q CA 2.094 57.842 55.803 -0.091 0.000 0.840 99 Q CB -0.068 28.619 28.738 -0.085 0.000 0.898 99 Q HN 0.671 nan 8.270 nan 0.000 0.424 100 S N 0.560 116.226 115.700 -0.057 0.000 2.370 100 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 100 S C 1.797 176.371 174.600 -0.043 0.000 1.033 100 S CA 1.131 59.305 58.200 -0.043 0.000 1.011 100 S CB -0.175 63.003 63.200 -0.036 0.000 0.852 100 S HN 0.305 nan 8.310 nan 0.000 0.457 101 L N 0.485 121.678 121.223 -0.050 0.000 2.240 101 L HA 0.199 4.539 4.340 -0.000 0.000 0.211 101 L C 1.671 178.512 176.870 -0.049 0.000 1.106 101 L CA 0.836 55.648 54.840 -0.047 0.000 0.793 101 L CB -0.460 41.567 42.059 -0.053 0.000 0.927 101 L HN 0.506 nan 8.230 nan 0.000 0.446 102 G N -0.454 108.309 108.800 -0.063 0.000 2.149 102 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 102 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 102 G C 0.316 175.173 174.900 -0.073 0.000 1.018 102 G CA 0.334 45.395 45.100 -0.065 0.000 0.728 102 G HN 0.303 nan 8.290 nan 0.000 0.508 103 T N -1.108 113.391 114.554 -0.092 0.000 2.927 103 T HA 0.773 5.123 4.350 -0.000 0.000 0.286 103 T C 0.963 175.561 174.700 -0.170 0.000 1.040 103 T CA 0.742 62.783 62.100 -0.098 0.000 1.010 103 T CB 1.426 70.243 68.868 -0.085 0.000 1.177 103 T HN 1.233 nan 8.240 nan 0.000 0.546 104 G N 1.037 109.712 108.800 -0.208 0.000 2.502 104 G HA2 0.595 4.555 3.960 -0.000 0.000 0.305 104 G HA3 0.595 4.555 3.960 -0.000 0.000 0.305 104 G C -0.932 173.768 174.900 -0.334 0.000 1.190 104 G CA -0.676 44.065 45.100 -0.598 0.000 0.933 104 G HN 0.800 nan 8.290 nan 0.000 0.503 105 M N 1.358 120.698 119.600 -0.433 0.000 2.326 105 M HA 0.561 5.041 4.480 -0.000 0.000 0.306 105 M C -0.847 175.530 176.300 0.128 0.000 1.054 105 M CA -0.747 54.516 55.300 -0.061 0.000 0.922 105 M CB 2.103 34.650 32.600 -0.088 0.000 1.632 105 M HN 0.497 nan 8.290 nan 0.000 0.436 106 M N 5.853 125.624 119.600 0.286 0.000 2.094 106 M HA 0.299 4.779 4.480 -0.000 0.000 0.348 106 M C -1.457 174.900 176.300 0.095 0.000 1.267 106 M CA -0.946 54.476 55.300 0.203 0.000 1.125 106 M CB 0.759 33.257 32.600 -0.171 0.000 1.527 106 M HN 0.809 nan 8.290 nan 0.000 0.447 107 L N 4.641 125.959 121.223 0.159 0.000 2.410 107 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 107 L C -0.068 176.842 176.870 0.067 0.000 1.152 107 L CA 0.813 55.728 54.840 0.126 0.000 0.855 107 L CB 1.206 43.383 42.059 0.197 0.000 1.129 107 L HN 0.731 nan 8.230 nan 0.000 0.463 108 S N 2.363 118.105 115.700 0.069 0.000 2.610 108 S HA 0.492 4.962 4.470 -0.000 0.000 0.273 108 S C 0.005 174.676 174.600 0.118 0.000 1.274 108 S CA -0.313 57.937 58.200 0.084 0.000 1.023 108 S CB 0.570 63.845 63.200 0.125 0.000 0.962 108 S HN 0.932 nan 8.310 nan 0.000 0.523 109 S N 3.491 119.291 115.700 0.167 0.000 2.579 109 S HA 0.172 4.641 4.470 -0.000 0.000 0.275 109 S C 0.123 174.960 174.600 0.395 0.000 1.345 109 S CA -0.337 57.987 58.200 0.207 0.000 1.031 109 S CB -0.251 63.166 63.200 0.362 0.000 0.892 109 S HN 0.918 nan 8.310 nan 0.000 0.529 110 W N -0.446 120.953 121.300 0.166 0.000 5.121 110 W HA -0.237 4.423 4.660 -0.000 0.000 0.372 110 W C 0.505 177.076 176.519 0.087 0.000 1.394 110 W CA 0.276 57.684 57.345 0.104 0.000 0.885 110 W CB -2.212 27.314 29.460 0.110 0.000 2.520 110 W HN 1.080 nan 8.180 nan 0.000 1.455 111 A N 0.561 123.504 122.820 0.204 0.000 2.462 111 A HA 0.438 4.758 4.320 -0.000 0.000 0.243 111 A C 1.316 178.976 177.584 0.127 0.000 1.076 111 A CA 0.906 53.037 52.037 0.156 0.000 0.773 111 A CB 0.292 19.355 19.000 0.106 0.000 1.010 111 A HN 0.383 nan 8.150 nan 0.000 0.493 112 T N -0.127 114.502 114.554 0.124 0.000 3.473 112 T HA 0.379 4.729 4.350 -0.000 0.000 0.247 112 T C 0.218 174.961 174.700 0.073 0.000 1.010 112 T CA 0.246 62.402 62.100 0.094 0.000 0.940 112 T CB -0.787 68.139 68.868 0.097 0.000 1.068 112 T HN 0.440 nan 8.240 nan 0.000 0.604 113 S N 1.060 116.801 115.700 0.067 0.000 2.537 113 S HA 0.590 5.060 4.470 -0.000 0.000 0.270 113 S C -0.227 174.399 174.600 0.044 0.000 1.142 113 S CA -1.068 57.165 58.200 0.055 0.000 0.870 113 S CB 2.018 65.256 63.200 0.063 0.000 1.112 113 S HN 0.619 nan 8.310 nan 0.000 0.466 114 S N 1.291 117.011 115.700 0.033 0.000 2.617 114 S HA 0.460 4.930 4.470 -0.000 0.000 0.269 114 S C 1.266 175.887 174.600 0.035 0.000 1.292 114 S CA -0.702 57.510 58.200 0.019 0.000 1.010 114 S CB -0.000 63.206 63.200 0.011 0.000 0.944 114 S HN 0.614 nan 8.310 nan 0.000 0.536 115 I N 0.904 121.478 120.570 0.007 0.000 2.208 115 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 115 I C 2.805 178.993 176.117 0.117 0.000 1.097 115 I CA 1.925 63.233 61.300 0.014 0.000 1.363 115 I CB -0.400 37.515 38.000 -0.142 0.000 1.051 115 I HN 0.893 nan 8.210 nan 0.000 0.413 116 E N 1.126 121.367 120.200 0.068 0.000 2.031 116 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 116 E C 2.054 178.696 176.600 0.069 0.000 0.994 116 E CA 1.345 57.790 56.400 0.075 0.000 0.800 116 E CB 0.011 29.735 29.700 0.040 0.000 0.752 116 E HN 0.441 nan 8.360 nan 0.000 0.447 117 E N -0.192 120.039 120.200 0.053 0.000 2.114 117 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 117 E C 2.135 178.764 176.600 0.048 0.000 1.008 117 E CA 1.702 58.128 56.400 0.043 0.000 0.810 117 E CB 0.014 29.737 29.700 0.039 0.000 0.739 117 E HN 0.170 nan 8.360 nan 0.000 0.456 118 V N 0.794 120.754 119.914 0.077 0.000 2.379 118 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 118 V C 2.230 178.338 176.094 0.025 0.000 1.044 118 V CA 1.698 64.040 62.300 0.071 0.000 1.036 118 V CB -0.572 31.327 31.823 0.126 0.000 0.664 118 V HN 0.337 nan 8.190 nan 0.000 0.453 119 A N -0.484 122.369 122.820 0.055 0.000 1.972 119 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 119 A C 2.152 179.714 177.584 -0.038 0.000 1.169 119 A CA 1.804 53.815 52.037 -0.044 0.000 0.635 119 A CB -0.410 18.604 19.000 0.023 0.000 0.810 119 A HN 0.623 nan 8.150 nan 0.000 0.446 120 E N -0.351 119.848 120.200 -0.002 0.000 2.072 120 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 120 E C 2.283 178.872 176.600 -0.018 0.000 0.985 120 E CA 0.911 57.306 56.400 -0.008 0.000 0.801 120 E CB -0.239 29.465 29.700 0.006 0.000 0.750 120 E HN 0.618 nan 8.360 nan 0.000 0.452 121 A N 0.765 123.577 122.820 -0.014 0.000 1.969 121 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 121 A C 1.612 179.173 177.584 -0.039 0.000 1.169 121 A CA 1.364 53.390 52.037 -0.018 0.000 0.635 121 A CB -0.019 18.978 19.000 -0.005 0.000 0.810 121 A HN 0.239 nan 8.150 nan 0.000 0.445 122 G N -0.819 107.943 108.800 -0.062 0.000 4.465 122 G HA2 0.465 4.425 3.960 -0.000 0.000 0.330 122 G HA3 0.465 4.425 3.960 -0.000 0.000 0.330 122 G C -1.632 173.195 174.900 -0.122 0.000 1.475 122 G CA -0.451 44.594 45.100 -0.092 0.000 0.955 122 G HN 0.124 nan 8.290 nan 0.000 0.516 123 P HA -0.080 nan 4.420 nan 0.000 0.218 123 P C 0.803 178.029 177.300 -0.123 0.000 1.149 123 P CA 1.160 64.198 63.100 -0.103 0.000 0.817 123 P CB 0.695 32.354 31.700 -0.067 0.000 0.785 124 E N -0.838 119.295 120.200 -0.112 0.000 2.481 124 E HA 0.292 4.642 4.350 -0.000 0.000 0.198 124 E C 0.539 177.055 176.600 -0.141 0.000 1.027 124 E CA -0.439 55.894 56.400 -0.112 0.000 0.900 124 E CB 0.269 29.921 29.700 -0.080 0.000 0.993 124 E HN 0.145 nan 8.360 nan 0.000 0.482 125 A N 1.426 124.144 122.820 -0.169 0.000 2.425 125 A HA 0.204 4.524 4.320 -0.000 0.000 0.249 125 A C -0.075 177.331 177.584 -0.297 0.000 1.084 125 A CA -0.439 51.473 52.037 -0.210 0.000 0.781 125 A CB 0.197 19.076 19.000 -0.202 0.000 1.019 125 A HN 0.229 nan 8.150 nan 0.000 0.490 126 L N 2.664 123.681 121.223 -0.342 0.000 2.462 126 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 126 L C 0.357 176.770 176.870 -0.762 0.000 1.166 126 L CA 1.003 55.542 54.840 -0.502 0.000 0.880 126 L CB -0.124 41.650 42.059 -0.475 0.000 1.142 126 L HN 0.718 nan 8.230 nan 0.000 0.473 127 R N 5.177 125.209 120.500 -0.780 0.000 2.621 127 R HA 0.562 4.902 4.340 -0.000 0.000 0.292 127 R C -1.451 174.560 176.300 -0.482 0.000 0.969 127 R CA -0.603 55.071 56.100 -0.709 0.000 0.887 127 R CB 1.780 31.568 30.300 -0.853 0.000 1.180 127 R HN 0.603 nan 8.270 nan 0.000 0.450 128 W N 3.156 124.584 121.300 0.213 0.000 2.864 128 W HA 0.424 5.084 4.660 -0.000 0.000 0.343 128 W C -0.899 175.832 176.519 0.353 0.000 1.109 128 W CA -0.980 56.568 57.345 0.338 0.000 1.192 128 W CB 1.376 31.059 29.460 0.372 0.000 1.426 128 W HN 0.252 nan 8.180 nan 0.000 0.529 129 L N 2.511 124.024 121.223 0.482 0.000 2.322 129 L HA 0.370 4.710 4.340 -0.000 0.000 0.281 129 L C -0.001 176.973 176.870 0.172 0.000 1.014 129 L CA -0.250 54.699 54.840 0.182 0.000 0.815 129 L CB 1.438 43.446 42.059 -0.085 0.000 1.247 129 L HN 0.317 nan 8.230 nan 0.000 0.421 130 Q N 4.781 124.622 119.800 0.069 0.000 2.256 130 Q HA 0.529 4.869 4.340 -0.000 0.000 0.257 130 Q C -1.968 173.990 176.000 -0.071 0.000 0.936 130 Q CA -0.590 55.208 55.803 -0.008 0.000 0.903 130 Q CB 1.850 30.526 28.738 -0.104 0.000 1.263 130 Q HN 0.808 nan 8.270 nan 0.000 0.440 131 L N 3.666 124.794 121.223 -0.158 0.000 2.472 131 L HA 0.490 4.830 4.340 -0.000 0.000 0.260 131 L C -1.960 174.695 176.870 -0.357 0.000 0.963 131 L CA -0.505 54.245 54.840 -0.150 0.000 0.829 131 L CB 1.971 43.999 42.059 -0.051 0.000 1.348 131 L HN 0.592 nan 8.230 nan 0.000 0.408 132 Y N 3.670 123.790 120.300 -0.301 0.000 2.457 132 Y HA 0.533 5.083 4.550 -0.000 0.000 0.333 132 Y C 0.113 175.685 175.900 -0.547 0.000 1.119 132 Y CA -0.499 57.298 58.100 -0.506 0.000 1.143 132 Y CB 1.654 39.632 38.460 -0.805 0.000 1.230 132 Y HN 0.348 nan 8.280 nan 0.000 0.469 133 I N 3.954 124.439 120.570 -0.143 0.000 2.347 133 I HA 0.059 4.229 4.170 -0.000 0.000 0.294 133 I C -0.769 175.259 176.117 -0.148 0.000 1.090 133 I CA -0.137 61.126 61.300 -0.061 0.000 1.314 133 I CB -0.271 37.734 38.000 0.008 0.000 1.423 133 I HN 0.495 nan 8.210 nan 0.000 0.503 134 Y N 5.883 126.209 120.300 0.044 0.000 2.326 134 Y HA 0.176 4.726 4.550 -0.000 0.000 0.324 134 Y C 1.547 177.415 175.900 -0.054 0.000 1.291 134 Y CA -0.445 57.654 58.100 -0.002 0.000 1.348 134 Y CB 0.639 39.094 38.460 -0.008 0.000 1.294 134 Y HN 0.389 nan 8.280 nan 0.000 0.525 135 K N 0.003 120.481 120.400 0.130 0.000 2.020 135 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 135 K C 0.228 176.831 176.600 0.004 0.000 1.050 135 K CA 1.711 58.013 56.287 0.026 0.000 0.929 135 K CB -0.179 32.335 32.500 0.023 0.000 0.714 135 K HN 0.581 nan 8.250 nan 0.000 0.443 136 D N 1.038 121.459 120.400 0.034 0.000 2.348 136 D HA -0.015 4.625 4.640 -0.000 0.000 0.259 136 D C 0.621 176.940 176.300 0.031 0.000 1.296 136 D CA 0.201 54.206 54.000 0.009 0.000 0.931 136 D CB 0.485 41.282 40.800 -0.006 0.000 1.067 136 D HN 0.047 nan 8.370 nan 0.000 0.503 137 R N 2.558 123.037 120.500 -0.034 0.000 2.237 137 R HA -0.081 4.259 4.340 -0.000 0.000 0.219 137 R C 1.332 177.703 176.300 0.118 0.000 1.080 137 R CA 0.387 56.456 56.100 -0.053 0.000 0.995 137 R CB 0.315 30.401 30.300 -0.356 0.000 0.875 137 R HN 0.500 nan 8.270 nan 0.000 0.462 138 E N 0.617 120.865 120.200 0.080 0.000 2.072 138 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 138 E C 2.162 178.816 176.600 0.089 0.000 0.985 138 E CA 0.906 57.363 56.400 0.095 0.000 0.801 138 E CB -0.094 29.634 29.700 0.047 0.000 0.750 138 E HN 0.065 nan 8.360 nan 0.000 0.452 139 V N 1.287 121.231 119.914 0.051 0.000 2.282 139 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 139 V C 2.389 178.543 176.094 0.099 0.000 1.057 139 V CA 2.263 64.564 62.300 0.002 0.000 1.032 139 V CB -0.965 30.769 31.823 -0.149 0.000 0.645 139 V HN 0.282 nan 8.190 nan 0.000 0.447 140 T N -0.756 113.946 114.554 0.245 0.000 2.777 140 T HA -0.224 4.126 4.350 -0.000 0.000 0.266 140 T C 1.957 176.797 174.700 0.234 0.000 1.040 140 T CA 1.705 63.995 62.100 0.318 0.000 1.141 140 T CB -0.196 68.935 68.868 0.438 0.000 0.868 140 T HN 0.442 nan 8.240 nan 0.000 0.444 141 K N 1.039 121.601 120.400 0.270 0.000 2.057 141 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 141 K C 2.251 178.889 176.600 0.063 0.000 1.049 141 K CA 1.278 57.659 56.287 0.157 0.000 0.931 141 K CB -0.002 32.626 32.500 0.214 0.000 0.714 141 K HN 0.217 nan 8.250 nan 0.000 0.440 142 K N 0.386 120.821 120.400 0.060 0.000 2.097 142 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 142 K C 2.118 178.713 176.600 -0.008 0.000 1.050 142 K CA 1.141 57.438 56.287 0.016 0.000 0.938 142 K CB -0.051 32.452 32.500 0.004 0.000 0.718 142 K HN 0.129 nan 8.250 nan 0.000 0.442 143 L N 0.486 121.708 121.223 -0.002 0.000 2.046 143 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 143 L C 2.317 179.153 176.870 -0.056 0.000 1.077 143 L CA 0.880 55.699 54.840 -0.035 0.000 0.747 143 L CB -0.477 41.579 42.059 -0.005 0.000 0.896 143 L HN -0.016 nan 8.230 nan 0.000 0.432 144 V N -0.426 119.469 119.914 -0.031 0.000 2.343 144 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 144 V C 2.740 178.805 176.094 -0.049 0.000 1.051 144 V CA 1.519 63.788 62.300 -0.052 0.000 1.036 144 V CB -0.637 31.142 31.823 -0.073 0.000 0.654 144 V HN 0.402 nan 8.190 nan 0.000 0.451 145 R N -0.173 120.304 120.500 -0.037 0.000 2.083 145 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 145 R C 2.281 178.568 176.300 -0.023 0.000 1.137 145 R CA 1.775 57.859 56.100 -0.026 0.000 0.951 145 R CB -0.663 29.628 30.300 -0.015 0.000 0.851 145 R HN 0.593 nan 8.270 nan 0.000 0.434 146 Q N -0.244 119.534 119.800 -0.037 0.000 2.224 146 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 146 Q C 1.858 177.828 176.000 -0.050 0.000 0.970 146 Q CA 1.204 56.984 55.803 -0.038 0.000 0.865 146 Q CB 0.080 28.786 28.738 -0.052 0.000 0.922 146 Q HN 0.347 nan 8.270 nan 0.000 0.445 147 A N 0.632 123.388 122.820 -0.107 0.000 1.898 147 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 147 A C 1.718 179.349 177.584 0.079 0.000 1.181 147 A CA 1.441 53.400 52.037 -0.130 0.000 0.620 147 A CB -0.360 18.524 19.000 -0.193 0.000 0.819 147 A HN 0.424 nan 8.150 nan 0.000 0.442 148 E N -0.370 119.854 120.200 0.040 0.000 2.077 148 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 148 E C 2.104 178.742 176.600 0.062 0.000 0.989 148 E CA 1.406 57.837 56.400 0.053 0.000 0.800 148 E CB -0.116 29.595 29.700 0.017 0.000 0.746 148 E HN 0.603 nan 8.360 nan 0.000 0.452 149 K N 0.251 120.680 120.400 0.048 0.000 2.057 149 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 149 K C 1.460 178.105 176.600 0.075 0.000 1.049 149 K CA 1.080 57.395 56.287 0.046 0.000 0.931 149 K CB 0.148 32.666 32.500 0.029 0.000 0.714 149 K HN 0.102 nan 8.250 nan 0.000 0.440 150 M N 0.027 119.708 119.600 0.136 0.000 2.493 150 M HA 0.126 4.606 4.480 -0.000 0.000 0.244 150 M C 0.603 177.020 176.300 0.194 0.000 1.182 150 M CA 0.592 56.007 55.300 0.192 0.000 0.981 150 M CB 0.691 33.459 32.600 0.280 0.000 1.551 150 M HN 0.452 nan 8.290 nan 0.000 0.476 151 G N 0.730 109.614 108.800 0.140 0.000 2.147 151 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 151 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 151 G C -0.424 174.462 174.900 -0.024 0.000 1.005 151 G CA -0.171 44.947 45.100 0.029 0.000 0.713 151 G HN 0.472 nan 8.290 nan 0.000 0.515 152 Y N -0.026 120.268 120.300 -0.010 0.000 2.359 152 Y HA 0.466 5.016 4.550 -0.000 0.000 0.330 152 Y C 1.581 177.510 175.900 0.048 0.000 1.143 152 Y CA -0.449 57.653 58.100 0.004 0.000 1.318 152 Y CB 0.994 39.478 38.460 0.039 0.000 1.234 152 Y HN -0.087 nan 8.280 nan 0.000 0.522 153 K N 1.817 122.331 120.400 0.189 0.000 2.393 153 K HA 0.437 4.757 4.320 -0.000 0.000 0.193 153 K C -0.087 176.708 176.600 0.326 0.000 1.026 153 K CA 0.348 56.762 56.287 0.212 0.000 1.064 153 K CB 0.373 32.966 32.500 0.155 0.000 0.833 153 K HN 0.670 nan 8.250 nan 0.000 0.521 154 A N 0.688 123.778 122.820 0.450 0.000 2.608 154 A HA 0.589 4.909 4.320 -0.000 0.000 0.292 154 A C -1.482 176.240 177.584 0.230 0.000 1.066 154 A CA -0.722 51.477 52.037 0.271 0.000 0.676 154 A CB 1.167 20.253 19.000 0.142 0.000 1.277 154 A HN -0.020 nan 8.150 nan 0.000 0.413 155 I N 1.036 121.614 120.570 0.013 0.000 2.378 155 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 155 I C -1.319 174.704 176.117 -0.156 0.000 0.992 155 I CA -0.268 61.039 61.300 0.011 0.000 1.154 155 I CB 0.947 38.930 38.000 -0.027 0.000 1.315 155 I HN 0.527 nan 8.210 nan 0.000 0.448 156 F N 5.576 125.469 119.950 -0.095 0.000 2.385 156 F HA 0.306 4.833 4.527 -0.000 0.000 0.360 156 F C 0.394 176.088 175.800 -0.176 0.000 1.122 156 F CA -0.642 57.257 58.000 -0.168 0.000 1.090 156 F CB 1.648 40.496 39.000 -0.254 0.000 1.150 156 F HN 0.122 nan 8.300 nan 0.000 0.472 157 V N 4.955 124.835 119.914 -0.056 0.000 2.364 157 V HA 0.334 4.454 4.120 -0.000 0.000 0.272 157 V C -0.032 175.985 176.094 -0.129 0.000 1.036 157 V CA -0.132 62.106 62.300 -0.105 0.000 0.880 157 V CB 0.979 32.752 31.823 -0.082 0.000 0.991 157 V HN 0.759 nan 8.190 nan 0.000 0.460 158 T N 6.736 121.140 114.554 -0.251 0.000 2.737 158 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 158 T C 0.835 175.496 174.700 -0.066 0.000 0.922 158 T CA 0.325 62.301 62.100 -0.206 0.000 1.079 158 T CB 1.104 69.726 68.868 -0.411 0.000 0.892 158 T HN 0.923 nan 8.240 nan 0.000 0.514 159 V N 0.450 120.350 119.914 -0.023 0.000 3.578 159 V HA 0.240 4.360 4.120 -0.000 0.000 0.290 159 V C 0.991 177.089 176.094 0.006 0.000 1.376 159 V CA -0.067 62.206 62.300 -0.045 0.000 1.083 159 V CB -0.089 31.641 31.823 -0.154 0.000 0.911 159 V HN 0.764 nan 8.190 nan 0.000 0.433 160 D N -0.366 120.089 120.400 0.092 0.000 2.463 160 D HA 0.139 4.779 4.640 -0.000 0.000 0.224 160 D C 0.479 176.830 176.300 0.084 0.000 1.174 160 D CA 0.109 54.163 54.000 0.090 0.000 0.829 160 D CB -0.018 40.851 40.800 0.115 0.000 0.993 160 D HN 0.413 nan 8.370 nan 0.000 0.497 161 T N 0.977 115.598 114.554 0.111 0.000 3.658 161 T HA 0.249 4.599 4.350 -0.000 0.000 0.245 161 T C -2.132 172.535 174.700 -0.055 0.000 1.292 161 T CA -0.930 61.191 62.100 0.034 0.000 1.598 161 T CB 1.558 70.486 68.868 0.100 0.000 0.861 161 T HN -0.095 nan 8.240 nan 0.000 0.663 162 P HA 0.009 nan 4.420 nan 0.000 0.217 162 P C -0.331 176.694 177.300 -0.458 0.000 1.150 162 P CA 1.101 64.075 63.100 -0.210 0.000 0.832 162 P CB 0.123 31.779 31.700 -0.073 0.000 0.787 163 Y N -2.873 117.384 120.300 -0.071 0.000 2.576 163 Y HA 0.459 5.009 4.550 -0.000 0.000 0.346 163 Y C 0.080 175.916 175.900 -0.106 0.000 1.018 163 Y CA -1.604 56.449 58.100 -0.079 0.000 1.050 163 Y CB 0.702 39.126 38.460 -0.059 0.000 1.280 163 Y HN -0.340 nan 8.280 nan 0.000 0.474 164 L N 1.819 123.067 121.223 0.042 0.000 2.426 164 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 164 L C 0.752 177.604 176.870 -0.030 0.000 1.169 164 L CA 0.346 55.157 54.840 -0.049 0.000 0.836 164 L CB 0.368 42.385 42.059 -0.070 0.000 1.112 164 L HN 0.809 nan 8.230 nan 0.000 0.465 165 G N 2.199 110.952 108.800 -0.078 0.000 2.614 165 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.239 165 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.239 165 G C -0.235 174.635 174.900 -0.050 0.000 1.240 165 G CA -0.444 44.618 45.100 -0.062 0.000 0.842 165 G HN 0.769 nan 8.290 nan 0.000 0.584 166 N N -0.021 118.654 118.700 -0.041 0.000 2.469 166 N HA 0.183 4.923 4.740 -0.000 0.000 0.239 166 N C -0.157 175.331 175.510 -0.037 0.000 1.053 166 N CA -0.350 52.678 53.050 -0.036 0.000 0.937 166 N CB 0.250 38.717 38.487 -0.033 0.000 1.163 166 N HN 0.335 nan 8.380 nan 0.000 0.509 167 R N 3.938 124.412 120.500 -0.043 0.000 2.230 167 R HA 0.274 4.614 4.340 -0.000 0.000 0.337 167 R C 1.178 177.454 176.300 -0.039 0.000 1.063 167 R CA -0.418 55.652 56.100 -0.050 0.000 0.935 167 R CB 0.776 31.030 30.300 -0.076 0.000 1.121 167 R HN 0.557 nan 8.270 nan 0.000 0.486 168 L N 1.169 122.376 121.223 -0.027 0.000 2.081 168 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 168 L C 1.367 178.232 176.870 -0.008 0.000 1.080 168 L CA 1.206 56.038 54.840 -0.014 0.000 0.754 168 L CB -0.148 41.906 42.059 -0.008 0.000 0.893 168 L HN 0.618 nan 8.230 nan 0.000 0.433 169 D N -0.109 120.282 120.400 -0.015 0.000 2.219 169 D HA -0.151 4.489 4.640 -0.000 0.000 0.205 169 D C 1.657 177.955 176.300 -0.003 0.000 0.970 169 D CA 1.002 54.999 54.000 -0.004 0.000 0.851 169 D CB -0.051 40.742 40.800 -0.012 0.000 0.943 169 D HN 0.314 nan 8.370 nan 0.000 0.488 170 D N -0.547 119.833 120.400 -0.034 0.000 2.269 170 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 170 D C 2.122 178.436 176.300 0.024 0.000 0.963 170 D CA 0.269 54.244 54.000 -0.041 0.000 0.864 170 D CB 0.208 40.948 40.800 -0.101 0.000 0.936 170 D HN 0.115 nan 8.370 nan 0.000 0.505 171 V N 0.137 120.061 119.914 0.017 0.000 2.500 171 V HA -0.056 4.064 4.120 -0.000 0.000 0.243 171 V C 2.365 178.480 176.094 0.035 0.000 1.039 171 V CA 0.862 63.178 62.300 0.026 0.000 1.053 171 V CB -0.266 31.563 31.823 0.011 0.000 0.695 171 V HN 0.013 nan 8.190 nan 0.000 0.463 172 R N 1.642 122.160 120.500 0.031 0.000 2.096 172 R HA -0.102 4.238 4.340 -0.000 0.000 0.240 172 R C 0.461 176.790 176.300 0.047 0.000 1.139 172 R CA 1.541 57.662 56.100 0.035 0.000 0.952 172 R CB -0.216 30.103 30.300 0.032 0.000 0.854 172 R HN 0.643 nan 8.270 nan 0.000 0.436 173 N N 1.223 119.963 118.700 0.067 0.000 2.476 173 N HA 0.118 4.858 4.740 -0.000 0.000 0.257 173 N C -0.938 174.642 175.510 0.117 0.000 0.970 173 N CA -0.460 52.641 53.050 0.086 0.000 0.938 173 N CB 1.655 40.204 38.487 0.103 0.000 1.144 173 N HN 0.001 nan 8.380 nan 0.000 0.500 174 R N 1.376 121.931 120.500 0.092 0.000 2.698 174 R HA 0.155 4.495 4.340 -0.000 0.000 0.266 174 R C -1.048 175.347 176.300 0.158 0.000 1.026 174 R CA 0.247 56.411 56.100 0.108 0.000 1.102 174 R CB 0.382 30.718 30.300 0.060 0.000 0.978 174 R HN 0.577 nan 8.270 nan 0.000 0.436 175 F N 2.684 122.622 119.950 -0.019 0.000 2.551 175 F HA 0.507 5.034 4.527 0.000 0.000 0.316 175 F C -0.760 175.004 175.800 -0.060 0.000 1.089 175 F CA -0.517 57.453 58.000 -0.050 0.000 0.915 175 F CB 1.504 40.462 39.000 -0.071 0.000 1.186 175 F HN 0.402 nan 8.300 nan 0.000 0.456 176 K N 5.588 125.645 120.400 -0.571 0.000 2.609 176 K HA 0.306 4.626 4.320 -0.000 0.000 0.261 176 K C -2.077 174.237 176.600 -0.477 0.000 0.945 176 K CA -0.740 55.328 56.287 -0.365 0.000 0.898 176 K CB 1.651 34.071 32.500 -0.133 0.000 1.349 176 K HN 0.651 nan 8.250 nan 0.000 0.420 205 L N 0.844 122.132 121.223 0.108 0.000 2.240 205 L HA 0.356 4.696 4.340 -0.000 0.000 0.211 205 L C 3.055 179.947 176.870 0.036 0.000 1.106 205 L CA 2.502 57.390 54.840 0.080 0.000 0.793 205 L CB -0.468 41.592 42.059 0.002 0.000 0.927 205 L HN 0.744 nan 8.230 nan 0.000 0.446 206 A N -0.864 121.967 122.820 0.018 0.000 2.015 206 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 206 A C 2.423 180.011 177.584 0.007 0.000 1.163 206 A CA 1.390 53.428 52.037 0.001 0.000 0.646 206 A CB -0.717 18.285 19.000 0.004 0.000 0.806 206 A HN 0.423 nan 8.150 nan 0.000 0.448 207 A N -1.276 121.538 122.820 -0.010 0.000 1.898 207 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 207 A C 2.021 179.556 177.584 -0.081 0.000 1.181 207 A CA 1.407 53.401 52.037 -0.071 0.000 0.620 207 A CB -0.798 18.109 19.000 -0.155 0.000 0.819 207 A HN 0.533 nan 8.150 nan 0.000 0.442 208 Y N -0.052 120.228 120.300 -0.032 0.000 2.256 208 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 208 Y C 2.533 178.439 175.900 0.009 0.000 1.155 208 Y CA 1.477 59.570 58.100 -0.012 0.000 1.203 208 Y CB -0.373 38.044 38.460 -0.071 0.000 0.980 208 Y HN 0.120 nan 8.280 nan 0.000 0.530 209 V N -0.834 119.115 119.914 0.059 0.000 2.379 209 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 209 V C 2.438 178.544 176.094 0.020 0.000 1.044 209 V CA 1.561 63.858 62.300 -0.005 0.000 1.036 209 V CB -1.252 30.499 31.823 -0.120 0.000 0.664 209 V HN 0.410 nan 8.190 nan 0.000 0.453 210 A N -0.467 122.360 122.820 0.010 0.000 2.015 210 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 210 A C 2.278 179.865 177.584 0.004 0.000 1.163 210 A CA 1.583 53.619 52.037 -0.003 0.000 0.646 210 A CB -0.311 18.721 19.000 0.052 0.000 0.806 210 A HN 0.546 nan 8.150 nan 0.000 0.448 211 K N -0.774 119.646 120.400 0.034 0.000 2.137 211 K HA 0.158 4.478 4.320 -0.000 0.000 0.202 211 K C 2.255 178.909 176.600 0.090 0.000 1.052 211 K CA 0.873 57.185 56.287 0.042 0.000 0.961 211 K CB -0.099 32.412 32.500 0.019 0.000 0.741 211 K HN 0.409 nan 8.250 nan 0.000 0.452 212 A N 1.474 124.404 122.820 0.183 0.000 1.862 212 A HA 0.128 4.448 4.320 -0.000 0.000 0.211 212 A C 1.095 178.871 177.584 0.321 0.000 1.220 212 A CA 0.220 52.423 52.037 0.277 0.000 0.616 212 A CB -0.188 19.073 19.000 0.435 0.000 0.878 212 A HN 0.082 nan 8.150 nan 0.000 0.453 213 I N 1.652 122.355 120.570 0.221 0.000 2.471 213 I HA 0.074 4.244 4.170 -0.000 0.000 0.286 213 I C -0.528 175.535 176.117 -0.091 0.000 1.079 213 I CA -0.334 60.967 61.300 0.002 0.000 1.398 213 I CB 0.538 38.412 38.000 -0.210 0.000 1.403 213 I HN 0.166 nan 8.210 nan 0.000 0.530 214 D N 9.666 130.010 120.400 -0.094 0.000 2.344 214 D HA 0.119 4.759 4.640 -0.000 0.000 0.253 214 D C -1.458 174.733 176.300 -0.182 0.000 1.255 214 D CA -2.004 51.925 54.000 -0.118 0.000 0.894 214 D CB 1.229 41.974 40.800 -0.092 0.000 1.067 214 D HN 0.300 nan 8.370 nan 0.000 0.492 215 P HA -0.031 nan 4.420 nan 0.000 0.245 215 P C 0.731 177.946 177.300 -0.142 0.000 1.212 215 P CA 0.296 63.209 63.100 -0.312 0.000 0.774 215 P CB 0.170 31.511 31.700 -0.598 0.000 0.999 216 S N -0.393 115.243 115.700 -0.108 0.000 2.556 216 S HA 0.079 4.549 4.470 -0.000 0.000 0.216 216 S C 1.059 175.616 174.600 -0.073 0.000 0.970 216 S CA -0.639 57.522 58.200 -0.065 0.000 0.912 216 S CB -1.225 61.943 63.200 -0.053 0.000 0.790 216 S HN 0.227 nan 8.310 nan 0.000 0.504 217 I N 2.095 122.605 120.570 -0.100 0.000 2.618 217 I HA 0.471 4.641 4.170 -0.000 0.000 0.284 217 I C 0.214 176.251 176.117 -0.134 0.000 1.146 217 I CA -0.402 60.831 61.300 -0.112 0.000 1.425 217 I CB 0.717 38.643 38.000 -0.124 0.000 1.383 217 I HN 0.266 nan 8.210 nan 0.000 0.562 218 S N 4.385 120.020 115.700 -0.109 0.000 2.795 218 S HA 0.421 4.891 4.470 -0.000 0.000 0.308 218 S C 0.260 174.766 174.600 -0.157 0.000 1.098 218 S CA -0.848 57.279 58.200 -0.120 0.000 0.934 218 S CB 0.623 63.833 63.200 0.017 0.000 1.300 218 S HN 0.845 nan 8.310 nan 0.000 0.566 219 W N 0.875 122.150 121.300 -0.042 0.000 2.525 219 W HA 0.149 4.809 4.660 0.000 0.000 0.259 219 W C 2.359 178.906 176.519 0.047 0.000 1.253 219 W CA 0.356 57.631 57.345 -0.115 0.000 1.262 219 W CB -0.072 29.209 29.460 -0.299 0.000 1.122 219 W HN 0.668 nan 8.180 nan 0.000 0.607 220 E N 0.370 120.727 120.200 0.262 0.000 2.077 220 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 220 E C 1.472 178.193 176.600 0.201 0.000 0.989 220 E CA 1.321 57.855 56.400 0.224 0.000 0.800 220 E CB -0.543 29.245 29.700 0.146 0.000 0.746 220 E HN 0.404 nan 8.360 nan 0.000 0.452 221 D N 0.406 120.880 120.400 0.123 0.000 2.310 221 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 221 D C 1.783 178.235 176.300 0.253 0.000 0.965 221 D CA 0.350 54.429 54.000 0.132 0.000 0.879 221 D CB 0.199 40.994 40.800 -0.008 0.000 0.921 221 D HN 0.143 nan 8.370 nan 0.000 0.510 222 I N 1.293 121.976 120.570 0.188 0.000 2.333 222 I HA -0.153 4.017 4.170 -0.000 0.000 0.246 222 I C 2.223 178.496 176.117 0.260 0.000 1.106 222 I CA 0.919 62.338 61.300 0.197 0.000 1.411 222 I CB -0.575 37.520 38.000 0.158 0.000 1.082 222 I HN -0.079 nan 8.210 nan 0.000 0.420 223 K N -0.452 120.139 120.400 0.320 0.000 2.103 223 K HA -0.253 4.067 4.320 -0.000 0.000 0.207 223 K C 2.043 178.771 176.600 0.213 0.000 1.048 223 K CA 1.790 58.233 56.287 0.261 0.000 0.930 223 K CB -0.369 32.284 32.500 0.256 0.000 0.716 223 K HN 0.353 nan 8.250 nan 0.000 0.444 224 W N 1.630 122.973 121.300 0.072 0.000 2.335 224 W HA -0.242 4.418 4.660 -0.000 0.000 0.311 224 W C 1.742 178.282 176.519 0.035 0.000 1.213 224 W CA 1.104 58.476 57.345 0.045 0.000 1.274 224 W CB -0.481 29.000 29.460 0.034 0.000 1.148 224 W HN 0.006 nan 8.180 nan 0.000 0.498 225 L N 1.581 122.793 121.223 -0.018 0.000 2.046 225 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 225 L C 2.655 179.384 176.870 -0.235 0.000 1.077 225 L CA 1.948 56.601 54.840 -0.312 0.000 0.747 225 L CB -1.100 40.955 42.059 -0.006 0.000 0.896 225 L HN -0.055 nan 8.230 nan 0.000 0.432 226 R N -0.030 120.426 120.500 -0.072 0.000 2.073 226 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 226 R C 2.429 178.674 176.300 -0.093 0.000 1.134 226 R CA 1.666 57.738 56.100 -0.046 0.000 0.952 226 R CB -0.424 29.897 30.300 0.034 0.000 0.850 226 R HN 0.351 nan 8.270 nan 0.000 0.433 227 R N -0.037 120.399 120.500 -0.106 0.000 2.152 227 R HA -0.102 4.237 4.340 -0.000 0.000 0.232 227 R C 2.052 178.239 176.300 -0.188 0.000 1.117 227 R CA 0.811 56.842 56.100 -0.114 0.000 0.981 227 R CB -0.253 30.005 30.300 -0.071 0.000 0.870 227 R HN 0.069 nan 8.270 nan 0.000 0.451 228 L N -0.489 120.534 121.223 -0.333 0.000 2.492 228 L HA 0.076 4.416 4.340 -0.000 0.000 0.223 228 L C 0.278 177.006 176.870 -0.236 0.000 1.132 228 L CA 1.105 55.715 54.840 -0.383 0.000 0.850 228 L CB 0.516 42.134 42.059 -0.736 0.000 0.966 228 L HN -0.011 nan 8.230 nan 0.000 0.454 229 T N -3.137 111.312 114.554 -0.176 0.000 2.885 229 T HA 0.245 4.595 4.350 -0.000 0.000 0.322 229 T C 0.434 175.090 174.700 -0.074 0.000 1.387 229 T CA -0.008 62.026 62.100 -0.111 0.000 1.041 229 T CB 1.310 70.116 68.868 -0.105 0.000 1.287 229 T HN 0.027 nan 8.240 nan 0.000 0.491 230 S N 3.226 118.899 115.700 -0.046 0.000 2.556 230 S HA 0.343 4.813 4.470 -0.000 0.000 0.216 230 S C 0.684 175.274 174.600 -0.016 0.000 0.970 230 S CA -0.437 57.746 58.200 -0.029 0.000 0.912 230 S CB -0.496 62.693 63.200 -0.019 0.000 0.790 230 S HN 0.631 nan 8.310 nan 0.000 0.504 231 L N 2.464 123.677 121.223 -0.016 0.000 2.490 231 L HA 0.280 4.620 4.340 -0.000 0.000 0.274 231 L C -2.261 174.600 176.870 -0.015 0.000 1.201 231 L CA -1.897 52.945 54.840 0.004 0.000 0.869 231 L CB -0.027 42.043 42.059 0.018 0.000 1.123 231 L HN 0.055 nan 8.230 nan 0.000 0.484 232 P HA -0.001 nan 4.420 nan 0.000 0.260 232 P C -0.720 176.515 177.300 -0.108 0.000 1.172 232 P CA 0.732 63.808 63.100 -0.039 0.000 0.760 232 P CB 0.228 31.919 31.700 -0.014 0.000 0.773 233 I N 3.255 123.752 120.570 -0.122 0.000 2.412 233 I HA 0.362 4.532 4.170 -0.000 0.000 0.296 233 I C -0.180 175.798 176.117 -0.232 0.000 0.987 233 I CA -0.954 60.241 61.300 -0.176 0.000 1.180 233 I CB 1.922 39.864 38.000 -0.097 0.000 1.340 233 I HN -0.031 nan 8.210 nan 0.000 0.455 234 V N 4.817 124.491 119.914 -0.401 0.000 2.487 234 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 234 V C 0.213 176.190 176.094 -0.195 0.000 1.028 234 V CA -0.773 61.307 62.300 -0.366 0.000 0.860 234 V CB 1.764 33.120 31.823 -0.778 0.000 0.991 234 V HN 0.838 nan 8.190 nan 0.000 0.427 235 A N 4.402 127.191 122.820 -0.053 0.000 2.350 235 A HA 0.468 4.788 4.320 -0.000 0.000 0.293 235 A C 0.090 177.690 177.584 0.026 0.000 1.231 235 A CA -0.133 51.899 52.037 -0.007 0.000 0.883 235 A CB -0.018 19.011 19.000 0.048 0.000 1.133 235 A HN 0.800 nan 8.150 nan 0.000 0.533 236 K N 2.475 122.884 120.400 0.015 0.000 2.234 236 K HA 0.501 4.821 4.320 -0.000 0.000 0.277 236 K C 0.789 177.393 176.600 0.007 0.000 1.038 236 K CA 0.493 56.792 56.287 0.020 0.000 0.888 236 K CB 0.450 32.941 32.500 -0.016 0.000 1.091 236 K HN 1.362 nan 8.250 nan 0.000 0.467 237 G N 4.129 112.946 108.800 0.027 0.000 2.175 237 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.182 237 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.182 237 G C -0.090 174.842 174.900 0.054 0.000 1.003 237 G CA -0.479 44.651 45.100 0.051 0.000 0.666 237 G HN 0.490 nan 8.290 nan 0.000 0.506 238 I N 1.046 121.650 120.570 0.057 0.000 2.588 238 I HA 0.335 4.505 4.170 -0.000 0.000 0.283 238 I C 1.452 177.606 176.117 0.062 0.000 1.119 238 I CA 0.129 61.470 61.300 0.069 0.000 1.419 238 I CB 1.107 39.160 38.000 0.087 0.000 1.394 238 I HN 0.098 nan 8.210 nan 0.000 0.562 239 L N 5.561 126.821 121.223 0.062 0.000 3.086 239 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 239 L C 0.615 177.514 176.870 0.049 0.000 1.184 239 L CA -0.015 54.856 54.840 0.052 0.000 1.002 239 L CB 0.292 42.380 42.059 0.049 0.000 1.383 239 L HN 0.508 nan 8.230 nan 0.000 0.582 240 R N -0.648 119.887 120.500 0.058 0.000 2.637 240 R HA 0.435 4.775 4.340 -0.000 0.000 0.291 240 R C 1.067 177.395 176.300 0.047 0.000 0.963 240 R CA -0.046 56.086 56.100 0.053 0.000 0.901 240 R CB 1.802 32.140 30.300 0.063 0.000 1.160 240 R HN -0.016 nan 8.270 nan 0.000 0.457 241 G N 1.871 110.691 108.800 0.033 0.000 2.476 241 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 241 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 241 G C 0.869 175.778 174.900 0.016 0.000 1.164 241 G CA 1.464 46.577 45.100 0.020 0.000 0.768 241 G HN 0.786 nan 8.290 nan 0.000 0.560 242 D N 1.060 121.472 120.400 0.019 0.000 2.097 242 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 242 D C 1.673 177.976 176.300 0.004 0.000 0.984 242 D CA 1.329 55.331 54.000 0.004 0.000 0.826 242 D CB -0.845 39.959 40.800 0.008 0.000 0.973 242 D HN 0.188 nan 8.370 nan 0.000 0.460 243 D N 0.713 121.157 120.400 0.072 0.000 2.158 243 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 243 D C 2.137 178.517 176.300 0.132 0.000 0.995 243 D CA 1.994 56.098 54.000 0.173 0.000 0.846 243 D CB -0.541 40.409 40.800 0.250 0.000 0.941 243 D HN 0.360 nan 8.370 nan 0.000 0.456 244 A N 0.758 123.625 122.820 0.079 0.000 1.877 244 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 244 A C 2.188 179.769 177.584 -0.005 0.000 1.186 244 A CA 1.320 53.388 52.037 0.051 0.000 0.620 244 A CB -0.428 18.590 19.000 0.029 0.000 0.822 244 A HN 0.115 nan 8.150 nan 0.000 0.443 245 R N -0.928 119.551 120.500 -0.035 0.000 2.105 245 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 245 R C 2.183 178.407 176.300 -0.127 0.000 1.135 245 R CA 1.623 57.683 56.100 -0.066 0.000 0.967 245 R CB -0.230 30.033 30.300 -0.062 0.000 0.861 245 R HN 0.588 nan 8.270 nan 0.000 0.442 246 E N 0.525 120.586 120.200 -0.232 0.000 2.106 246 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 246 E C 1.752 178.016 176.600 -0.560 0.000 0.984 246 E CA 1.376 57.460 56.400 -0.527 0.000 0.806 246 E CB -0.111 29.016 29.700 -0.956 0.000 0.750 246 E HN 0.322 nan 8.360 nan 0.000 0.458 247 A N -0.056 122.605 122.820 -0.265 0.000 1.877 247 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 247 A C 2.466 180.081 177.584 0.052 0.000 1.186 247 A CA 1.710 53.787 52.037 0.067 0.000 0.620 247 A CB -0.829 18.300 19.000 0.215 0.000 0.822 247 A HN 0.180 nan 8.150 nan 0.000 0.443 248 V N 0.487 120.400 119.914 -0.001 0.000 2.287 248 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 248 V C 2.560 178.649 176.094 -0.007 0.000 1.053 248 V CA 2.294 64.591 62.300 -0.005 0.000 1.027 248 V CB -0.672 31.135 31.823 -0.026 0.000 0.646 248 V HN 0.561 nan 8.190 nan 0.000 0.447 249 K N -0.635 119.747 120.400 -0.030 0.000 2.147 249 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 249 K C 1.780 178.338 176.600 -0.070 0.000 1.049 249 K CA 1.333 57.585 56.287 -0.058 0.000 0.936 249 K CB -0.237 32.210 32.500 -0.090 0.000 0.722 249 K HN 0.614 nan 8.250 nan 0.000 0.446 250 H N -0.775 118.241 119.070 -0.089 0.000 2.555 250 H HA 0.050 4.606 4.556 -0.000 0.000 0.283 250 H C 0.659 176.001 175.328 0.024 0.000 1.037 250 H CA 0.497 56.542 56.048 -0.005 0.000 1.169 250 H CB 0.303 30.114 29.762 0.082 0.000 1.375 250 H HN 0.469 nan 8.280 nan 0.000 0.582 251 G N 1.407 110.250 108.800 0.073 0.000 2.176 251 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 251 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 251 G C 0.214 175.141 174.900 0.045 0.000 1.024 251 G CA -0.043 45.080 45.100 0.038 0.000 0.755 251 G HN 0.268 nan 8.290 nan 0.000 0.507 252 L N -0.986 120.276 121.223 0.065 0.000 2.439 252 L HA 0.332 4.672 4.340 -0.000 0.000 0.261 252 L C 1.406 178.280 176.870 0.005 0.000 1.153 252 L CA -0.201 54.663 54.840 0.041 0.000 0.808 252 L CB 0.698 42.802 42.059 0.075 0.000 1.126 252 L HN 0.177 nan 8.230 nan 0.000 0.460 253 N N -0.134 118.553 118.700 -0.022 0.000 2.254 253 N HA 0.217 4.956 4.740 -0.000 0.000 0.190 253 N C 0.169 175.667 175.510 -0.020 0.000 1.107 253 N CA 0.012 53.047 53.050 -0.024 0.000 0.869 253 N CB 0.831 39.300 38.487 -0.031 0.000 0.983 253 N HN 0.737 nan 8.380 nan 0.000 0.487 254 G N -0.148 108.638 108.800 -0.024 0.000 2.466 254 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 254 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 254 G C -2.089 172.814 174.900 0.005 0.000 1.460 254 G CA -0.637 44.454 45.100 -0.014 0.000 0.791 254 G HN -0.105 nan 8.290 nan 0.000 0.505 255 I N 0.889 121.449 120.570 -0.017 0.000 2.436 255 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 255 I C -0.822 175.388 176.117 0.156 0.000 1.010 255 I CA -0.929 60.398 61.300 0.045 0.000 1.098 255 I CB 1.420 39.422 38.000 0.004 0.000 1.266 255 I HN 0.398 nan 8.210 nan 0.000 0.434 256 L N 8.171 129.524 121.223 0.216 0.000 2.270 256 L HA 0.361 4.701 4.340 -0.000 0.000 0.286 256 L C -0.180 176.762 176.870 0.121 0.000 1.059 256 L CA -0.308 54.679 54.840 0.245 0.000 0.839 256 L CB 0.871 43.031 42.059 0.170 0.000 1.221 256 L HN 0.320 nan 8.230 nan 0.000 0.431 257 V N 4.650 124.632 119.914 0.113 0.000 2.425 257 V HA 0.320 4.440 4.120 -0.000 0.000 0.276 257 V C 0.606 176.741 176.094 0.069 0.000 1.017 257 V CA 0.346 62.689 62.300 0.072 0.000 1.062 257 V CB -0.041 31.813 31.823 0.052 0.000 0.997 257 V HN 0.887 nan 8.190 nan 0.000 0.476 258 S N 3.801 119.532 115.700 0.052 0.000 2.533 258 S HA 0.457 4.927 4.470 -0.000 0.000 0.271 258 S C -0.048 174.587 174.600 0.058 0.000 1.143 258 S CA -0.799 57.425 58.200 0.040 0.000 0.891 258 S CB 1.452 64.648 63.200 -0.006 0.000 1.105 258 S HN 0.840 nan 8.310 nan 0.000 0.468 259 N N 2.427 121.168 118.700 0.068 0.000 2.321 259 N HA 0.171 4.911 4.740 -0.000 0.000 0.242 259 N C 0.040 175.641 175.510 0.152 0.000 1.141 259 N CA -0.120 52.985 53.050 0.091 0.000 0.864 259 N CB -0.785 37.744 38.487 0.069 0.000 1.100 259 N HN 0.924 nan 8.380 nan 0.000 0.510 260 H N 0.204 119.284 119.070 0.016 0.000 2.791 260 H HA -0.153 4.403 4.556 -0.000 0.000 0.302 260 H C 1.092 176.421 175.328 0.001 0.000 1.198 260 H CA 0.797 56.852 56.048 0.011 0.000 1.145 260 H CB -1.327 28.452 29.762 0.028 0.000 1.385 260 H HN 0.665 nan 8.280 nan 0.000 0.409 261 G N -0.688 108.158 108.800 0.076 0.000 2.198 261 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.260 261 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.260 261 G C 0.901 175.841 174.900 0.067 0.000 1.025 261 G CA 1.053 46.186 45.100 0.055 0.000 0.769 261 G HN 1.965 nan 8.290 nan 0.000 0.507 262 A N -2.210 120.657 122.820 0.079 0.000 2.847 262 A HA -0.265 4.055 4.320 -0.000 0.000 0.263 262 A C 1.574 179.181 177.584 0.038 0.000 1.391 262 A CA 2.356 54.428 52.037 0.057 0.000 0.866 262 A CB -1.668 17.361 19.000 0.048 0.000 1.057 262 A HN 1.152 nan 8.150 nan 0.000 0.673 263 R N -1.328 119.206 120.500 0.056 0.000 2.312 263 R HA 0.134 4.474 4.340 -0.000 0.000 0.205 263 R C 1.822 178.087 176.300 -0.058 0.000 0.904 263 R CA 0.690 56.792 56.100 0.004 0.000 1.052 263 R CB 0.064 30.391 30.300 0.044 0.000 1.014 263 R HN 0.660 nan 8.270 nan 0.000 0.503 264 Q N 0.093 119.865 119.800 -0.048 0.000 2.429 264 Q HA 0.156 4.496 4.340 -0.000 0.000 0.230 264 Q C -0.029 175.953 176.000 -0.031 0.000 0.970 264 Q CA 0.014 55.770 55.803 -0.077 0.000 0.778 264 Q CB -0.455 28.231 28.738 -0.086 0.000 2.016 264 Q HN 0.052 nan 8.270 nan 0.000 0.543 265 L N 3.091 124.310 121.223 -0.007 0.000 2.268 265 L HA 0.246 4.586 4.340 -0.000 0.000 0.289 265 L C -0.736 176.139 176.870 0.007 0.000 1.064 265 L CA -0.140 54.700 54.840 0.001 0.000 0.824 265 L CB 0.233 42.298 42.059 0.010 0.000 1.202 265 L HN 0.131 nan 8.230 nan 0.000 0.433 266 D N 3.669 124.070 120.400 0.002 0.000 2.382 266 D HA 0.493 5.133 4.640 -0.000 0.000 0.245 266 D C 1.059 177.365 176.300 0.009 0.000 1.120 266 D CA 1.275 55.279 54.000 0.007 0.000 0.890 266 D CB 0.996 41.797 40.800 0.002 0.000 1.201 266 D HN 0.856 nan 8.370 nan 0.000 0.433 267 G N 1.617 110.425 108.800 0.014 0.000 2.184 267 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.206 267 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.206 267 G C 0.338 175.248 174.900 0.017 0.000 0.995 267 G CA 0.038 45.147 45.100 0.014 0.000 0.651 267 G HN 0.961 nan 8.290 nan 0.000 0.511 268 V N -1.574 118.353 119.914 0.022 0.000 3.083 268 V HA 0.796 4.916 4.120 -0.000 0.000 0.306 268 V C -1.326 174.785 176.094 0.027 0.000 1.077 268 V CA -1.946 60.369 62.300 0.026 0.000 1.073 268 V CB 0.747 32.589 31.823 0.032 0.000 1.081 268 V HN 0.085 nan 8.190 nan 0.000 0.474 269 P HA 0.364 nan 4.420 nan 0.000 0.272 269 P C -0.337 176.978 177.300 0.025 0.000 1.240 269 P CA -0.107 63.010 63.100 0.027 0.000 0.791 269 P CB 0.242 31.961 31.700 0.031 0.000 0.978 270 A N 0.855 123.686 122.820 0.018 0.000 2.498 270 A HA 0.214 4.534 4.320 -0.000 0.000 0.239 270 A C 1.635 179.209 177.584 -0.017 0.000 1.068 270 A CA 0.547 52.583 52.037 -0.001 0.000 0.766 270 A CB -0.736 18.249 19.000 -0.025 0.000 1.003 270 A HN 0.704 nan 8.150 nan 0.000 0.497 271 T N 1.025 115.564 114.554 -0.025 0.000 2.788 271 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 271 T C 1.637 176.294 174.700 -0.071 0.000 1.044 271 T CA 1.604 63.693 62.100 -0.017 0.000 1.139 271 T CB -0.459 68.422 68.868 0.021 0.000 0.867 271 T HN 0.532 nan 8.240 nan 0.000 0.454 272 I N 2.399 122.846 120.570 -0.204 0.000 2.335 272 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 272 I C 1.573 177.631 176.117 -0.099 0.000 1.129 272 I CA 1.394 62.506 61.300 -0.313 0.000 1.402 272 I CB -0.471 37.030 38.000 -0.832 0.000 1.069 272 I HN 0.092 nan 8.210 nan 0.000 0.424 273 D N -0.319 120.109 120.400 0.047 0.000 2.149 273 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 273 D C 2.292 178.664 176.300 0.120 0.000 0.972 273 D CA 1.826 55.941 54.000 0.191 0.000 0.835 273 D CB -0.219 40.663 40.800 0.136 0.000 0.966 273 D HN 0.418 nan 8.370 nan 0.000 0.476 274 V N -0.856 119.089 119.914 0.051 0.000 2.951 274 V HA 0.002 4.122 4.120 -0.000 0.000 0.255 274 V C 2.251 178.356 176.094 0.019 0.000 1.088 274 V CA 0.340 62.665 62.300 0.041 0.000 1.109 274 V CB -0.666 31.177 31.823 0.034 0.000 0.724 274 V HN 0.015 nan 8.190 nan 0.000 0.471 275 L N 1.666 122.880 121.223 -0.014 0.000 2.021 275 L HA -0.041 4.299 4.340 -0.000 0.000 0.215 275 L C 0.121 176.964 176.870 -0.045 0.000 1.074 275 L CA 2.774 57.587 54.840 -0.043 0.000 0.760 275 L CB -1.810 40.195 42.059 -0.089 0.000 0.889 275 L HN 0.268 nan 8.230 nan 0.000 0.433 276 P HA -0.249 nan 4.420 nan 0.000 0.215 276 P C 1.507 178.809 177.300 0.003 0.000 1.163 276 P CA 1.963 65.051 63.100 -0.020 0.000 0.894 276 P CB -0.087 31.640 31.700 0.044 0.000 0.791 277 E N -0.705 119.509 120.200 0.023 0.000 2.118 277 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 277 E C 1.885 178.488 176.600 0.006 0.000 0.992 277 E CA 1.080 57.492 56.400 0.020 0.000 0.804 277 E CB -0.479 29.239 29.700 0.030 0.000 0.741 277 E HN 0.143 nan 8.360 nan 0.000 0.458 278 I N -0.044 120.527 120.570 0.000 0.000 2.286 278 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 278 I C 2.321 178.422 176.117 -0.026 0.000 1.104 278 I CA 0.424 61.719 61.300 -0.007 0.000 1.397 278 I CB -0.027 37.972 38.000 -0.002 0.000 1.072 278 I HN 0.021 nan 8.210 nan 0.000 0.417 279 V N 0.684 120.575 119.914 -0.037 0.000 2.332 279 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 279 V C 2.485 178.557 176.094 -0.038 0.000 1.055 279 V CA 2.330 64.600 62.300 -0.051 0.000 1.038 279 V CB -0.582 31.206 31.823 -0.059 0.000 0.651 279 V HN 0.518 nan 8.190 nan 0.000 0.450 280 E N 0.011 120.197 120.200 -0.023 0.000 2.046 280 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 280 E C 2.223 178.813 176.600 -0.017 0.000 0.982 280 E CA 1.166 57.557 56.400 -0.016 0.000 0.800 280 E CB -0.247 29.451 29.700 -0.004 0.000 0.756 280 E HN 0.552 nan 8.360 nan 0.000 0.449 281 A N 0.498 123.310 122.820 -0.014 0.000 2.019 281 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 281 A C 2.233 179.803 177.584 -0.023 0.000 1.164 281 A CA 1.137 53.165 52.037 -0.015 0.000 0.644 281 A CB -0.272 18.723 19.000 -0.008 0.000 0.805 281 A HN 0.254 nan 8.150 nan 0.000 0.449 282 V N -0.301 119.596 119.914 -0.029 0.000 3.406 282 V HA -0.059 4.061 4.120 -0.000 0.000 0.263 282 V C 0.584 176.655 176.094 -0.038 0.000 1.172 282 V CA 0.918 63.196 62.300 -0.037 0.000 1.140 282 V CB -1.014 30.779 31.823 -0.050 0.000 0.784 282 V HN 0.735 nan 8.190 nan 0.000 0.467 283 E N -0.065 120.115 120.200 -0.033 0.000 2.294 283 E HA -0.313 4.037 4.350 -0.000 0.000 0.228 283 E C 1.237 177.818 176.600 -0.033 0.000 1.253 283 E CA 0.341 56.723 56.400 -0.030 0.000 0.716 283 E CB -1.504 28.181 29.700 -0.025 0.000 1.184 283 E HN 0.806 nan 8.360 nan 0.000 0.374 284 G N -0.251 108.524 108.800 -0.042 0.000 2.155 284 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.257 284 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.257 284 G C 0.773 175.648 174.900 -0.043 0.000 0.983 284 G CA 0.933 46.007 45.100 -0.044 0.000 0.676 284 G HN 0.422 nan 8.290 nan 0.000 0.528 285 K N -0.684 119.691 120.400 -0.042 0.000 2.228 285 K HA 0.334 4.654 4.320 -0.000 0.000 0.202 285 K C 1.225 177.799 176.600 -0.043 0.000 1.051 285 K CA 1.363 57.628 56.287 -0.037 0.000 0.960 285 K CB 0.318 32.798 32.500 -0.033 0.000 0.743 285 K HN 0.931 nan 8.250 nan 0.000 0.458 286 V N -1.780 118.097 119.914 -0.061 0.000 3.078 286 V HA 0.335 4.455 4.120 -0.000 0.000 0.311 286 V C -1.045 174.965 176.094 -0.141 0.000 1.138 286 V CA -1.311 60.943 62.300 -0.078 0.000 1.007 286 V CB 2.091 33.875 31.823 -0.065 0.000 1.045 286 V HN -0.006 nan 8.190 nan 0.000 0.432 287 E N 1.238 121.326 120.200 -0.187 0.000 2.384 287 E HA 0.428 4.778 4.350 -0.000 0.000 0.266 287 E C -0.892 175.294 176.600 -0.690 0.000 1.012 287 E CA -0.177 55.986 56.400 -0.394 0.000 0.901 287 E CB 1.637 31.130 29.700 -0.346 0.000 0.967 287 E HN 0.609 nan 8.360 nan 0.000 0.435 288 V N 4.612 124.111 119.914 -0.692 0.000 2.513 288 V HA 0.434 4.554 4.120 -0.000 0.000 0.299 288 V C -0.475 175.189 176.094 -0.717 0.000 1.035 288 V CA -0.626 61.310 62.300 -0.608 0.000 0.889 288 V CB 0.566 32.236 31.823 -0.255 0.000 0.988 288 V HN 0.477 nan 8.190 nan 0.000 0.440 289 F N 3.756 123.754 119.950 0.079 0.000 2.618 289 F HA 0.830 5.357 4.527 0.000 0.000 0.332 289 F C -0.276 175.599 175.800 0.126 0.000 1.061 289 F CA -1.023 57.062 58.000 0.141 0.000 0.974 289 F CB 1.918 41.121 39.000 0.338 0.000 1.310 289 F HN 0.360 nan 8.300 nan 0.000 0.491 290 L N 1.505 122.949 121.223 0.368 0.000 2.445 290 L HA 0.617 4.957 4.340 -0.000 0.000 0.262 290 L C -1.897 175.131 176.870 0.264 0.000 0.974 290 L CA -0.379 54.601 54.840 0.232 0.000 0.822 290 L CB 1.993 44.141 42.059 0.148 0.000 1.339 290 L HN 0.837 nan 8.230 nan 0.000 0.409 291 D N 2.353 122.865 120.400 0.186 0.000 2.592 291 D HA 0.786 5.426 4.640 -0.000 0.000 0.263 291 D C -0.357 176.023 176.300 0.133 0.000 1.132 291 D CA -0.067 54.029 54.000 0.161 0.000 0.996 291 D CB 1.871 42.735 40.800 0.107 0.000 1.442 291 D HN 0.949 nan 8.370 nan 0.000 0.486 292 G N -1.628 107.248 108.800 0.126 0.000 3.269 292 G HA2 0.452 4.412 3.960 -0.000 0.000 0.668 292 G HA3 0.452 4.412 3.960 -0.000 0.000 0.668 292 G C 0.752 175.796 174.900 0.239 0.000 1.100 292 G CA 0.422 45.601 45.100 0.132 0.000 0.940 292 G HN 1.838 nan 8.290 nan 0.000 0.438 293 G N -0.694 108.243 108.800 0.228 0.000 2.194 293 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.236 293 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.236 293 G C 0.691 175.707 174.900 0.194 0.000 0.987 293 G CA 0.378 45.676 45.100 0.331 0.000 0.635 293 G HN 1.977 nan 8.290 nan 0.000 0.520 294 V N 2.242 122.211 119.914 0.091 0.000 2.450 294 V HA 0.383 4.503 4.120 -0.000 0.000 0.281 294 V C 1.360 177.386 176.094 -0.114 0.000 1.019 294 V CA 0.711 62.921 62.300 -0.150 0.000 1.062 294 V CB 0.986 32.768 31.823 -0.068 0.000 0.979 294 V HN 0.431 nan 8.190 nan 0.000 0.477 295 R N 3.108 123.500 120.500 -0.179 0.000 2.612 295 R HA 0.320 4.660 4.340 -0.000 0.000 0.260 295 R C 0.097 176.345 176.300 -0.087 0.000 0.943 295 R CA -0.066 55.987 56.100 -0.079 0.000 1.036 295 R CB 0.799 31.088 30.300 -0.017 0.000 1.520 295 R HN 0.514 nan 8.270 nan 0.000 0.563 296 K N -0.646 119.665 120.400 -0.148 0.000 2.443 296 K HA 0.445 4.765 4.320 -0.000 0.000 0.251 296 K C 0.765 177.322 176.600 -0.072 0.000 0.972 296 K CA -0.275 55.958 56.287 -0.090 0.000 0.833 296 K CB 2.108 34.562 32.500 -0.077 0.000 1.317 296 K HN -0.054 nan 8.250 nan 0.000 0.441 297 G N 0.177 108.979 108.800 0.003 0.000 2.469 297 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 297 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 297 G C 1.366 176.335 174.900 0.116 0.000 1.150 297 G CA 1.998 47.157 45.100 0.099 0.000 0.763 297 G HN 0.741 nan 8.290 nan 0.000 0.561 298 T N -1.330 113.245 114.554 0.036 0.000 2.962 298 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 298 T C 1.744 176.458 174.700 0.023 0.000 1.088 298 T CA 1.598 63.723 62.100 0.043 0.000 1.127 298 T CB -0.185 68.702 68.868 0.031 0.000 0.883 298 T HN 0.176 nan 8.240 nan 0.000 0.493 299 D N 1.403 121.722 120.400 -0.133 0.000 2.117 299 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 299 D C 2.346 178.602 176.300 -0.073 0.000 0.987 299 D CA 0.922 54.694 54.000 -0.380 0.000 0.829 299 D CB -0.412 39.775 40.800 -1.021 0.000 0.961 299 D HN 0.365 nan 8.370 nan 0.000 0.460 300 V N 1.309 121.207 119.914 -0.027 0.000 2.295 300 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 300 V C 2.495 178.697 176.094 0.179 0.000 1.049 300 V CA 1.033 63.342 62.300 0.015 0.000 1.024 300 V CB -0.543 31.183 31.823 -0.161 0.000 0.648 300 V HN 0.125 nan 8.190 nan 0.000 0.447 301 L N 0.264 121.671 121.223 0.307 0.000 2.046 301 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 301 L C 2.359 179.319 176.870 0.150 0.000 1.077 301 L CA 1.948 56.950 54.840 0.270 0.000 0.747 301 L CB -0.763 41.385 42.059 0.149 0.000 0.896 301 L HN 0.237 nan 8.230 nan 0.000 0.432 302 K N -0.701 119.782 120.400 0.137 0.000 2.057 302 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 302 K C 2.119 178.720 176.600 0.001 0.000 1.050 302 K CA 1.221 57.560 56.287 0.086 0.000 0.935 302 K CB -0.406 32.201 32.500 0.178 0.000 0.715 302 K HN 0.453 nan 8.250 nan 0.000 0.439 303 A N 1.223 124.097 122.820 0.091 0.000 1.883 303 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 303 A C 2.072 179.652 177.584 -0.006 0.000 1.186 303 A CA 1.482 53.542 52.037 0.038 0.000 0.624 303 A CB -0.569 18.501 19.000 0.115 0.000 0.822 303 A HN 0.112 nan 8.150 nan 0.000 0.444 304 L N -0.529 120.717 121.223 0.038 0.000 2.093 304 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 304 L C 2.992 179.871 176.870 0.015 0.000 1.085 304 L CA 1.722 56.585 54.840 0.039 0.000 0.755 304 L CB -0.844 41.277 42.059 0.103 0.000 0.904 304 L HN 0.394 nan 8.230 nan 0.000 0.435 305 A N -0.624 122.204 122.820 0.014 0.000 1.908 305 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 305 A C 2.189 179.737 177.584 -0.060 0.000 1.181 305 A CA 1.719 53.751 52.037 -0.008 0.000 0.627 305 A CB -0.886 18.119 19.000 0.008 0.000 0.818 305 A HN 0.397 nan 8.150 nan 0.000 0.445 306 L N -1.607 119.538 121.223 -0.130 0.000 2.622 306 L HA 0.127 4.467 4.340 -0.000 0.000 0.233 306 L C 1.691 178.491 176.870 -0.118 0.000 1.156 306 L CA 0.628 55.354 54.840 -0.189 0.000 0.866 306 L CB -0.132 41.707 42.059 -0.368 0.000 0.980 306 L HN 0.660 nan 8.230 nan 0.000 0.448 307 G N -1.049 107.704 108.800 -0.078 0.000 2.205 307 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.180 307 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.180 307 G C 0.370 175.227 174.900 -0.071 0.000 1.004 307 G CA -0.226 44.836 45.100 -0.065 0.000 0.670 307 G HN 0.396 nan 8.290 nan 0.000 0.496 308 A N 0.157 122.941 122.820 -0.061 0.000 2.483 308 A HA 0.660 4.980 4.320 -0.000 0.000 0.238 308 A C 1.273 178.838 177.584 -0.032 0.000 1.070 308 A CA 1.489 53.495 52.037 -0.051 0.000 0.770 308 A CB 0.651 19.652 19.000 0.002 0.000 1.008 308 A HN 0.444 nan 8.150 nan 0.000 0.497 309 K N 0.641 121.014 120.400 -0.046 0.000 2.166 309 K HA 0.385 4.705 4.320 -0.000 0.000 0.201 309 K C 0.377 177.038 176.600 0.102 0.000 1.052 309 K CA 1.522 57.823 56.287 0.024 0.000 0.969 309 K CB 0.104 32.601 32.500 -0.005 0.000 0.761 309 K HN 1.070 nan 8.250 nan 0.000 0.459 310 A N -0.541 122.392 122.820 0.189 0.000 2.608 310 A HA 0.542 4.862 4.320 -0.000 0.000 0.292 310 A C -1.331 176.255 177.584 0.003 0.000 1.066 310 A CA -0.425 51.628 52.037 0.026 0.000 0.676 310 A CB 1.060 20.023 19.000 -0.063 0.000 1.277 310 A HN 0.150 nan 8.150 nan 0.000 0.413 311 V N -1.743 118.051 119.914 -0.200 0.000 3.019 311 V HA 0.974 5.094 4.120 -0.000 0.000 0.317 311 V C -0.898 174.957 176.094 -0.398 0.000 1.094 311 V CA -1.024 61.200 62.300 -0.127 0.000 1.000 311 V CB 1.521 33.319 31.823 -0.042 0.000 1.060 311 V HN 0.775 nan 8.190 nan 0.000 0.443 312 F N 1.178 121.090 119.950 -0.065 0.000 2.532 312 F HA 0.774 5.301 4.527 -0.000 0.000 0.321 312 F C 0.063 175.813 175.800 -0.084 0.000 1.089 312 F CA -0.935 57.002 58.000 -0.105 0.000 0.926 312 F CB 2.335 41.231 39.000 -0.174 0.000 1.168 312 F HN 0.617 nan 8.300 nan 0.000 0.459 313 V N 0.209 120.159 119.914 0.060 0.000 2.483 313 V HA 0.867 4.987 4.120 -0.000 0.000 0.295 313 V C 0.120 176.198 176.094 -0.027 0.000 1.035 313 V CA -0.264 62.035 62.300 -0.001 0.000 0.896 313 V CB 0.892 32.684 31.823 -0.052 0.000 0.986 313 V HN 0.910 nan 8.190 nan 0.000 0.447 314 G N 2.763 111.525 108.800 -0.064 0.000 2.571 314 G HA2 0.093 4.053 3.960 -0.000 0.000 0.225 314 G HA3 0.093 4.053 3.960 -0.000 0.000 0.225 314 G C 1.171 175.931 174.900 -0.233 0.000 1.731 314 G CA -0.133 44.892 45.100 -0.124 0.000 0.858 314 G HN 0.623 nan 8.290 nan 0.000 0.611 315 R N 1.061 121.388 120.500 -0.289 0.000 2.103 315 R HA -0.099 4.241 4.340 -0.000 0.000 0.242 315 R C -0.180 175.667 176.300 -0.756 0.000 1.142 315 R CA 1.943 57.673 56.100 -0.616 0.000 0.960 315 R CB -1.078 28.964 30.300 -0.430 0.000 0.858 315 R HN 0.307 nan 8.270 nan 0.000 0.439 316 P HA -0.159 nan 4.420 nan 0.000 0.219 316 P C 0.917 178.117 177.300 -0.167 0.000 1.146 316 P CA 1.106 64.148 63.100 -0.097 0.000 0.808 316 P CB -0.014 31.665 31.700 -0.036 0.000 0.779 317 I N -1.372 119.062 120.570 -0.227 0.000 2.286 317 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 317 I C 2.264 178.261 176.117 -0.200 0.000 1.104 317 I CA 1.249 62.440 61.300 -0.181 0.000 1.397 317 I CB -1.615 36.295 38.000 -0.148 0.000 1.072 317 I HN -0.123 nan 8.210 nan 0.000 0.417 318 V N -0.041 119.643 119.914 -0.383 0.000 2.407 318 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 318 V C 2.339 178.338 176.094 -0.158 0.000 1.055 318 V CA 1.674 63.690 62.300 -0.473 0.000 1.049 318 V CB -0.765 30.448 31.823 -1.017 0.000 0.662 318 V HN 0.427 nan 8.190 nan 0.000 0.455 319 W N 0.263 121.549 121.300 -0.022 0.000 2.381 319 W HA 0.002 4.662 4.660 -0.000 0.000 0.301 319 W C 2.531 179.172 176.519 0.204 0.000 1.205 319 W CA 0.422 57.838 57.345 0.118 0.000 1.285 319 W CB -0.676 28.870 29.460 0.144 0.000 1.133 319 W HN 0.289 nan 8.180 nan 0.000 0.521 320 G N 0.681 109.634 108.800 0.255 0.000 2.418 320 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 320 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 320 G C 1.373 176.403 174.900 0.218 0.000 1.158 320 G CA 0.818 46.017 45.100 0.166 0.000 0.771 320 G HN 0.051 nan 8.290 nan 0.000 0.545 321 L N 1.393 122.680 121.223 0.107 0.000 2.012 321 L HA 0.043 4.383 4.340 -0.000 0.000 0.210 321 L C 3.157 180.135 176.870 0.180 0.000 1.073 321 L CA 2.005 56.880 54.840 0.058 0.000 0.748 321 L CB -0.800 41.270 42.059 0.018 0.000 0.891 321 L HN 0.270 nan 8.230 nan 0.000 0.431 322 A N -1.955 121.048 122.820 0.305 0.000 2.015 322 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 322 A C 2.168 180.019 177.584 0.444 0.000 1.163 322 A CA 1.464 53.736 52.037 0.392 0.000 0.646 322 A CB -0.809 18.472 19.000 0.468 0.000 0.806 322 A HN 0.461 nan 8.150 nan 0.000 0.448 323 F N -0.417 119.713 119.950 0.301 0.000 2.094 323 F HA 0.068 4.595 4.527 0.000 0.000 0.291 323 F C 1.687 177.562 175.800 0.125 0.000 1.109 323 F CA 1.811 59.935 58.000 0.206 0.000 1.221 323 F CB 0.141 39.233 39.000 0.153 0.000 1.014 323 F HN 0.222 nan 8.300 nan 0.000 0.473 324 Q N -0.165 119.648 119.800 0.021 0.000 2.074 324 Q HA 0.256 4.596 4.340 -0.000 0.000 0.265 324 Q C 0.629 176.531 176.000 -0.163 0.000 0.855 324 Q CA 0.166 55.879 55.803 -0.151 0.000 1.083 324 Q CB 0.927 29.543 28.738 -0.203 0.000 1.260 324 Q HN 0.611 nan 8.270 nan 0.000 0.427 325 G N 2.251 110.837 108.800 -0.355 0.000 2.651 325 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.315 325 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.315 325 G C 0.684 175.391 174.900 -0.323 0.000 1.258 325 G CA 0.864 45.459 45.100 -0.841 0.000 1.002 325 G HN 0.505 nan 8.290 nan 0.000 0.551 326 E N 0.288 120.338 120.200 -0.250 0.000 2.058 326 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 326 E C 2.436 178.999 176.600 -0.061 0.000 0.997 326 E CA 1.685 58.018 56.400 -0.111 0.000 0.801 326 E CB -0.238 29.421 29.700 -0.068 0.000 0.746 326 E HN 0.515 nan 8.360 nan 0.000 0.450 327 K N -0.383 119.990 120.400 -0.044 0.000 2.147 327 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 327 K C 2.033 178.669 176.600 0.060 0.000 1.049 327 K CA 1.249 57.541 56.287 0.007 0.000 0.936 327 K CB -0.242 32.266 32.500 0.014 0.000 0.722 327 K HN 0.239 nan 8.250 nan 0.000 0.446 328 G N 0.275 109.124 108.800 0.081 0.000 2.394 328 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 328 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 328 G C 1.440 176.355 174.900 0.025 0.000 1.165 328 G CA 0.591 45.816 45.100 0.209 0.000 0.784 328 G HN 0.172 nan 8.290 nan 0.000 0.535 329 V N 0.418 120.315 119.914 -0.029 0.000 2.358 329 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 329 V C 2.717 178.761 176.094 -0.084 0.000 1.047 329 V CA 2.089 64.341 62.300 -0.079 0.000 1.035 329 V CB -0.396 31.384 31.823 -0.073 0.000 0.658 329 V HN 0.449 nan 8.190 nan 0.000 0.452 330 Q N -0.285 119.484 119.800 -0.051 0.000 2.119 330 Q HA -0.246 4.094 4.340 -0.000 0.000 0.201 330 Q C 1.965 177.941 176.000 -0.040 0.000 0.972 330 Q CA 1.880 57.658 55.803 -0.042 0.000 0.847 330 Q CB -0.068 28.656 28.738 -0.023 0.000 0.903 330 Q HN 0.611 nan 8.270 nan 0.000 0.433 331 D N -0.318 120.070 120.400 -0.020 0.000 2.097 331 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 331 D C 1.974 178.206 176.300 -0.114 0.000 0.989 331 D CA 1.173 55.169 54.000 -0.006 0.000 0.827 331 D CB -0.262 40.613 40.800 0.125 0.000 0.966 331 D HN 0.101 nan 8.370 nan 0.000 0.456 332 V N 0.985 120.735 119.914 -0.274 0.000 2.287 332 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 332 V C 2.644 178.637 176.094 -0.169 0.000 1.053 332 V CA 1.298 63.395 62.300 -0.339 0.000 1.027 332 V CB -0.494 31.083 31.823 -0.411 0.000 0.646 332 V HN 0.206 nan 8.190 nan 0.000 0.447 333 L N -0.597 120.550 121.223 -0.128 0.000 2.083 333 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 333 L C 2.519 179.351 176.870 -0.063 0.000 1.083 333 L CA 1.593 56.378 54.840 -0.093 0.000 0.752 333 L CB -0.533 41.476 42.059 -0.084 0.000 0.899 333 L HN 0.380 nan 8.230 nan 0.000 0.433 334 E N 0.043 120.214 120.200 -0.048 0.000 2.152 334 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 334 E C 2.290 178.885 176.600 -0.009 0.000 0.983 334 E CA 0.759 57.147 56.400 -0.020 0.000 0.818 334 E CB 0.052 29.746 29.700 -0.009 0.000 0.758 334 E HN 0.468 nan 8.360 nan 0.000 0.467 335 I N 0.878 121.435 120.570 -0.022 0.000 2.179 335 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 335 I C 2.216 178.332 176.117 -0.002 0.000 1.088 335 I CA 1.099 62.395 61.300 -0.007 0.000 1.357 335 I CB -0.178 37.816 38.000 -0.011 0.000 1.051 335 I HN 0.120 nan 8.210 nan 0.000 0.409 336 L N 0.428 121.638 121.223 -0.023 0.000 2.083 336 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 336 L C 2.619 179.512 176.870 0.040 0.000 1.083 336 L CA 1.295 56.128 54.840 -0.012 0.000 0.752 336 L CB -0.603 41.419 42.059 -0.061 0.000 0.899 336 L HN 0.224 nan 8.230 nan 0.000 0.433 337 K N 0.036 120.453 120.400 0.027 0.000 2.002 337 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 337 K C 2.073 178.740 176.600 0.111 0.000 1.048 337 K CA 1.378 57.711 56.287 0.076 0.000 0.930 337 K CB 0.101 32.621 32.500 0.034 0.000 0.714 337 K HN 0.176 nan 8.250 nan 0.000 0.438 338 E N 0.893 121.128 120.200 0.059 0.000 2.106 338 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 338 E C 1.923 178.547 176.600 0.040 0.000 0.984 338 E CA 1.036 57.461 56.400 0.041 0.000 0.806 338 E CB -0.081 29.632 29.700 0.023 0.000 0.750 338 E HN 0.414 nan 8.360 nan 0.000 0.458 339 E N -0.147 120.084 120.200 0.051 0.000 2.077 339 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 339 E C 1.909 178.554 176.600 0.075 0.000 0.989 339 E CA 0.728 57.156 56.400 0.047 0.000 0.800 339 E CB -0.234 29.491 29.700 0.041 0.000 0.746 339 E HN 0.161 nan 8.360 nan 0.000 0.452 340 F N 2.040 121.971 119.950 -0.032 0.000 2.102 340 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 340 F C 2.496 178.284 175.800 -0.020 0.000 1.105 340 F CA 1.732 59.714 58.000 -0.030 0.000 1.239 340 F CB -0.189 38.789 39.000 -0.035 0.000 0.991 340 F HN -0.206 nan 8.300 nan 0.000 0.474 341 R N 0.242 120.700 120.500 -0.070 0.000 2.083 341 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 341 R C 2.236 178.433 176.300 -0.170 0.000 1.137 341 R CA 2.067 58.074 56.100 -0.155 0.000 0.951 341 R CB -0.887 29.399 30.300 -0.024 0.000 0.851 341 R HN 0.448 nan 8.270 nan 0.000 0.434 342 L N 0.817 121.981 121.223 -0.099 0.000 2.017 342 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 342 L C 2.389 179.196 176.870 -0.105 0.000 1.073 342 L CA 2.195 56.987 54.840 -0.080 0.000 0.745 342 L CB -0.746 41.288 42.059 -0.041 0.000 0.894 342 L HN 0.307 nan 8.230 nan 0.000 0.432 343 A N -0.844 121.902 122.820 -0.123 0.000 1.933 343 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 343 A C 2.399 179.878 177.584 -0.175 0.000 1.175 343 A CA 2.161 54.127 52.037 -0.117 0.000 0.628 343 A CB -0.631 18.320 19.000 -0.081 0.000 0.814 343 A HN 0.562 nan 8.150 nan 0.000 0.444 344 M N -0.770 118.636 119.600 -0.323 0.000 2.132 344 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 344 M C 2.408 178.597 176.300 -0.185 0.000 1.065 344 M CA 1.411 56.509 55.300 -0.337 0.000 1.122 344 M CB -0.224 32.029 32.600 -0.578 0.000 1.365 344 M HN 0.484 nan 8.290 nan 0.000 0.411 345 A N 0.221 122.946 122.820 -0.158 0.000 1.877 345 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 345 A C 1.914 179.457 177.584 -0.067 0.000 1.186 345 A CA 1.351 53.331 52.037 -0.095 0.000 0.620 345 A CB -0.967 17.986 19.000 -0.078 0.000 0.822 345 A HN 0.534 nan 8.150 nan 0.000 0.443 346 L N -0.162 121.021 121.223 -0.066 0.000 2.376 346 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 346 L C 2.136 178.986 176.870 -0.035 0.000 1.133 346 L CA 0.975 55.789 54.840 -0.044 0.000 0.816 346 L CB -0.148 41.888 42.059 -0.039 0.000 0.933 346 L HN 0.281 nan 8.230 nan 0.000 0.449 347 S N -0.440 115.233 115.700 -0.044 0.000 2.528 347 S HA 0.160 4.630 4.470 -0.000 0.000 0.219 347 S C 1.335 175.926 174.600 -0.016 0.000 0.985 347 S CA 0.641 58.828 58.200 -0.023 0.000 0.914 347 S CB 0.456 63.640 63.200 -0.026 0.000 0.776 347 S HN 0.600 nan 8.310 nan 0.000 0.526 348 G N 0.880 109.663 108.800 -0.029 0.000 2.204 348 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 348 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 348 G C -0.145 174.741 174.900 -0.024 0.000 1.062 348 G CA -0.227 44.861 45.100 -0.020 0.000 0.798 348 G HN 0.494 nan 8.290 nan 0.000 0.496 349 C N 0.859 120.132 119.300 -0.045 0.000 2.294 349 C HA 0.456 4.916 4.460 -0.000 0.000 0.319 349 C C 1.506 176.461 174.990 -0.057 0.000 1.164 349 C CA -0.527 58.462 59.018 -0.048 0.000 1.497 349 C CB 1.260 28.961 27.740 -0.065 0.000 2.061 349 C HN 0.643 nan 8.230 nan 0.000 0.438 350 Q N 2.568 122.348 119.800 -0.034 0.000 2.172 350 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 350 Q C 0.466 176.453 176.000 -0.022 0.000 0.964 350 Q CA 1.517 57.303 55.803 -0.029 0.000 0.855 350 Q CB 0.325 29.054 28.738 -0.015 0.000 0.918 350 Q HN 0.980 nan 8.270 nan 0.000 0.444 351 N N -3.647 115.047 118.700 -0.010 0.000 2.732 351 N HA 0.115 4.855 4.740 -0.000 0.000 0.259 351 N C 0.351 175.879 175.510 0.029 0.000 1.402 351 N CA -0.001 53.057 53.050 0.014 0.000 0.829 351 N CB 0.843 39.343 38.487 0.021 0.000 1.495 351 N HN -0.212 nan 8.380 nan 0.000 0.511 352 V N -2.683 117.273 119.914 0.070 0.000 2.913 352 V HA 0.013 4.133 4.120 -0.000 0.000 0.260 352 V C 1.339 177.471 176.094 0.063 0.000 1.098 352 V CA 1.172 63.532 62.300 0.099 0.000 1.121 352 V CB -0.885 31.026 31.823 0.145 0.000 0.714 352 V HN 0.642 nan 8.190 nan 0.000 0.487 353 K N 0.173 120.598 120.400 0.043 0.000 2.439 353 K HA 0.135 4.455 4.320 -0.000 0.000 0.197 353 K C 1.778 178.392 176.600 0.023 0.000 1.041 353 K CA 1.022 57.327 56.287 0.030 0.000 0.970 353 K CB 0.126 32.640 32.500 0.025 0.000 0.773 353 K HN 0.494 nan 8.250 nan 0.000 0.479 354 V N 1.310 121.236 119.914 0.020 0.000 3.174 354 V HA 0.030 4.150 4.120 -0.000 0.000 0.254 354 V C 0.943 177.046 176.094 0.016 0.000 1.120 354 V CA 0.204 62.512 62.300 0.013 0.000 1.114 354 V CB -0.177 31.649 31.823 0.005 0.000 0.756 354 V HN 0.199 nan 8.190 nan 0.000 0.467 355 I N 2.971 123.555 120.570 0.024 0.000 2.826 355 I HA 0.053 4.223 4.170 -0.000 0.000 0.295 355 I C 0.127 176.258 176.117 0.025 0.000 1.213 355 I CA 0.615 61.933 61.300 0.030 0.000 1.436 355 I CB 0.112 38.145 38.000 0.054 0.000 1.348 355 I HN 0.443 nan 8.210 nan 0.000 0.570 356 D N 4.503 124.917 120.400 0.024 0.000 2.626 356 D HA 0.236 4.876 4.640 -0.000 0.000 0.278 356 D C -0.019 176.292 176.300 0.019 0.000 1.211 356 D CA -0.887 53.123 54.000 0.017 0.000 0.903 356 D CB 0.890 41.698 40.800 0.013 0.000 1.408 356 D HN 0.251 nan 8.370 nan 0.000 0.454 357 K N -0.914 119.492 120.400 0.009 0.000 2.209 357 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 357 K C 1.532 178.149 176.600 0.029 0.000 1.048 357 K CA 1.718 58.011 56.287 0.010 0.000 0.940 357 K CB -0.361 32.142 32.500 0.004 0.000 0.729 357 K HN 0.703 nan 8.250 nan 0.000 0.451 358 T N -0.736 113.831 114.554 0.022 0.000 3.113 358 T HA 0.033 4.383 4.350 -0.000 0.000 0.263 358 T C 1.708 176.441 174.700 0.055 0.000 1.143 358 T CA 0.370 62.477 62.100 0.011 0.000 1.090 358 T CB -0.166 68.699 68.868 -0.005 0.000 0.922 358 T HN 0.091 nan 8.240 nan 0.000 0.521 359 L N 1.340 122.619 121.223 0.093 0.000 2.376 359 L HA 0.175 4.515 4.340 -0.000 0.000 0.219 359 L C 0.874 177.905 176.870 0.268 0.000 1.133 359 L CA 0.158 55.094 54.840 0.161 0.000 0.816 359 L CB -0.264 41.859 42.059 0.107 0.000 0.933 359 L HN 0.377 nan 8.230 nan 0.000 0.449 360 V N -2.889 117.171 119.914 0.243 0.000 3.001 360 V HA 0.686 4.806 4.120 -0.000 0.000 0.314 360 V C -0.661 175.673 176.094 0.400 0.000 1.099 360 V CA -0.937 61.588 62.300 0.375 0.000 0.989 360 V CB 2.322 34.315 31.823 0.283 0.000 1.040 360 V HN 0.067 nan 8.190 nan 0.000 0.434 361 R N 0.785 121.617 120.500 0.553 0.000 2.594 361 R HA 0.503 4.843 4.340 -0.000 0.000 0.265 361 R C -1.309 175.119 176.300 0.214 0.000 1.070 361 R CA -0.699 55.624 56.100 0.370 0.000 0.909 361 R CB 2.492 32.880 30.300 0.148 0.000 1.243 361 R HN 0.884 nan 8.270 nan 0.000 0.455 362 K N 2.365 122.611 120.400 -0.257 0.000 2.248 362 K HA 0.225 4.545 4.320 -0.000 0.000 0.281 362 K C -0.133 176.332 176.600 -0.225 0.000 1.054 362 K CA -0.448 55.501 56.287 -0.564 0.000 0.903 362 K CB 0.486 32.308 32.500 -1.130 0.000 1.077 362 K HN 0.491 nan 8.250 nan 0.000 0.474 363 N N 0.000 118.626 118.700 -0.123 0.000 1.763 363 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 363 N CA 0.000 52.956 53.050 -0.157 0.000 0.885 363 N CB 0.000 38.438 38.487 -0.082 0.000 1.341 363 N HN 0.000 nan 8.380 nan 0.000 0.667