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 2jhp_1_A DATA FIRST_RESID 2 DATA SEQUENCE PEPHAVLYVT NELSHIVKDG FLPIWKLTGD ESLNDLWLEN GKYATDVYAY DATA SEQUENCE GDVSKWTIRQ LRGHGFIFIS THKNVQLADI IKTVDVRIPR EVARSHDMKA DATA SEQUENCE FENEIGRRRI RMRKGFGDAL RNYAFKMAIE FHGSEAETLN DANPRLHKIY DATA SEQUENCE GMPEIPPLYM EYAEIGTRFD DEPTDEKLVS MLDYIVYSAE EVHYIGCGDL DATA SEQUENCE RTLMQFKKRS PGRFRRVLWH VYDPIAPECS DPNVIVHNIM VDSKKDILKH DATA SEQUENCE MNFLKRVERL FIWDVSSDXX XXXXXEWETT RFAEDRLGEE IAYEMGGAFS DATA SEQUENCE SALIKHRIPN SKDEYHCIST YLFPQPGADA DMYELRNFMR LRGYSHVDRH DATA SEQUENCE MHPDASVTKV VSRDVRKMVE LYHGRDRGRF LKKRLFEHLH IVRKNGLLHE DATA SEQUENCE SDEPRADLFY LTNRCNMGLE PSIYEVMKKS VIATAWVGRA PLYDYDDFAL DATA SEQUENCE PRSTVMLNGS YRDIRILDGN GAILFLMWRY PDIVKKDLTY DPAWAMNFAV DATA SEQUENCE SLKEPIPDPP VPDISLCRFI GLRVESSVLR VRNPTXXXXX XXXXXXXXDL DATA SEQUENCE SGHLYVTLMS GAYVTDLFWW FKMILDWSAQ NREQKLRDLK RSAAEVIEWX DATA SEQUENCE XXXXXXXXXV RNDLIAALRE YKRKMGMREG ASIDSWLELL RHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.228 177.300 -0.120 0.000 1.155 2 P CA 0.000 63.013 63.100 -0.146 0.000 0.800 2 P CB 0.000 31.600 31.700 -0.167 0.000 0.726 3 E N -0.443 119.669 120.200 -0.148 0.000 2.555 3 E HA 0.226 4.576 4.350 -0.000 0.000 0.209 3 E C -2.027 174.522 176.600 -0.086 0.000 0.847 3 E CA -0.089 56.245 56.400 -0.111 0.000 1.438 3 E CB 0.573 30.178 29.700 -0.158 0.000 1.420 3 E HN 0.349 nan 8.360 nan 0.000 0.755 4 P HA -0.015 nan 4.420 nan 0.000 0.266 4 P C -0.495 176.751 177.300 -0.091 0.000 1.195 4 P CA 0.766 63.760 63.100 -0.177 0.000 0.768 4 P CB 0.239 31.806 31.700 -0.221 0.000 0.838 5 H N 0.387 119.404 119.070 -0.088 0.000 2.821 5 H HA 0.750 5.306 4.556 -0.000 0.000 0.373 5 H C -1.297 173.981 175.328 -0.083 0.000 1.165 5 H CA -1.451 54.548 56.048 -0.082 0.000 1.154 5 H CB 1.512 31.228 29.762 -0.076 0.000 1.765 5 H HN 0.413 nan 8.280 nan 0.000 0.549 6 A N 2.168 125.000 122.820 0.021 0.000 2.327 6 A HA 0.443 4.763 4.320 -0.000 0.000 0.283 6 A C -0.138 177.432 177.584 -0.023 0.000 1.127 6 A CA -0.726 51.279 52.037 -0.053 0.000 0.810 6 A CB 0.781 19.727 19.000 -0.090 0.000 1.066 6 A HN 0.455 nan 8.150 nan 0.000 0.492 7 V N 3.812 123.640 119.914 -0.144 0.000 2.353 7 V HA 0.138 4.258 4.120 -0.000 0.000 0.264 7 V C 0.036 175.867 176.094 -0.437 0.000 1.049 7 V CA 0.025 62.128 62.300 -0.328 0.000 0.896 7 V CB 0.379 31.820 31.823 -0.637 0.000 1.025 7 V HN 0.662 nan 8.190 nan 0.000 0.475 8 L N 6.431 127.471 121.223 -0.304 0.000 2.401 8 L HA 0.317 4.657 4.340 -0.000 0.000 0.283 8 L C -0.255 176.578 176.870 -0.063 0.000 1.151 8 L CA -0.214 54.511 54.840 -0.191 0.000 0.942 8 L CB -0.417 41.499 42.059 -0.238 0.000 1.283 8 L HN 0.614 nan 8.230 nan 0.000 0.442 9 Y N 4.297 124.439 120.300 -0.264 0.000 2.336 9 Y HA 0.459 5.009 4.550 -0.000 0.000 0.335 9 Y C -0.037 175.915 175.900 0.087 0.000 1.046 9 Y CA -0.771 57.251 58.100 -0.130 0.000 1.198 9 Y CB 1.093 39.454 38.460 -0.164 0.000 1.182 9 Y HN 0.276 nan 8.280 nan 0.000 0.502 10 V N 3.358 122.996 119.914 -0.460 0.000 2.715 10 V HA 0.682 4.802 4.120 -0.000 0.000 0.310 10 V C 0.029 175.810 176.094 -0.522 0.000 1.054 10 V CA -0.325 61.811 62.300 -0.273 0.000 0.928 10 V CB 1.156 32.961 31.823 -0.030 0.000 1.007 10 V HN 0.911 nan 8.190 nan 0.000 0.437 11 T N 0.863 115.320 114.554 -0.160 0.000 2.754 11 T HA 0.267 4.617 4.350 -0.000 0.000 0.286 11 T C 0.870 175.549 174.700 -0.034 0.000 0.997 11 T CA 0.631 62.719 62.100 -0.020 0.000 0.982 11 T CB 0.168 69.143 68.868 0.178 0.000 1.027 11 T HN 0.765 nan 8.240 nan 0.000 0.529 12 N N 1.002 119.724 118.700 0.037 0.000 2.120 12 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 12 N C 1.898 177.392 175.510 -0.026 0.000 1.024 12 N CA 1.131 54.179 53.050 -0.003 0.000 0.852 12 N CB -0.168 38.344 38.487 0.042 0.000 1.003 12 N HN 0.841 nan 8.380 nan 0.000 0.424 13 E N 0.691 120.897 120.200 0.010 0.000 2.463 13 E HA -0.155 4.195 4.350 -0.000 0.000 0.201 13 E C 1.182 177.792 176.600 0.017 0.000 1.045 13 E CA 0.876 57.276 56.400 -0.000 0.000 0.872 13 E CB 0.027 29.721 29.700 -0.009 0.000 0.797 13 E HN 0.335 nan 8.360 nan 0.000 0.538 14 L N 0.369 121.549 121.223 -0.071 0.000 2.717 14 L HA 0.167 4.507 4.340 -0.000 0.000 0.239 14 L C 2.255 178.895 176.870 -0.384 0.000 1.086 14 L CA 0.782 55.475 54.840 -0.245 0.000 0.897 14 L CB -0.143 41.802 42.059 -0.191 0.000 1.214 14 L HN 0.072 nan 8.230 nan 0.000 0.508 15 S N -0.277 115.266 115.700 -0.261 0.000 2.407 15 S HA -0.270 4.200 4.470 -0.000 0.000 0.235 15 S C 2.191 176.527 174.600 -0.439 0.000 1.036 15 S CA 1.929 59.882 58.200 -0.413 0.000 1.013 15 S CB -0.425 62.392 63.200 -0.640 0.000 0.820 15 S HN 0.711 nan 8.310 nan 0.000 0.476 16 H N 0.590 119.431 119.070 -0.382 0.000 2.462 16 H HA 0.057 4.613 4.556 -0.000 0.000 0.292 16 H C 2.035 177.197 175.328 -0.277 0.000 1.049 16 H CA 1.356 57.230 56.048 -0.291 0.000 1.334 16 H CB -0.843 28.804 29.762 -0.193 0.000 1.404 16 H HN 0.564 nan 8.280 nan 0.000 0.544 17 I N 0.876 120.868 120.570 -0.964 0.000 2.315 17 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 17 I C 2.699 178.447 176.117 -0.615 0.000 1.117 17 I CA 0.568 61.388 61.300 -0.801 0.000 1.404 17 I CB -0.295 37.065 38.000 -1.066 0.000 1.071 17 I HN 0.015 nan 8.210 nan 0.000 0.419 18 V N 1.260 120.783 119.914 -0.652 0.000 2.295 18 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 18 V C 2.457 178.352 176.094 -0.333 0.000 1.049 18 V CA 1.941 63.870 62.300 -0.619 0.000 1.024 18 V CB -0.651 30.827 31.823 -0.575 0.000 0.648 18 V HN 0.396 nan 8.190 nan 0.000 0.447 19 K N -0.397 119.877 120.400 -0.209 0.000 2.286 19 K HA -0.226 4.094 4.320 -0.000 0.000 0.203 19 K C 1.375 177.918 176.600 -0.095 0.000 1.045 19 K CA 1.625 57.865 56.287 -0.078 0.000 0.935 19 K CB -0.193 32.281 32.500 -0.043 0.000 0.737 19 K HN 0.371 nan 8.250 nan 0.000 0.460 20 D N 0.010 120.308 120.400 -0.171 0.000 2.342 20 D HA 0.079 4.719 4.640 -0.000 0.000 0.221 20 D C 0.426 176.541 176.300 -0.308 0.000 1.101 20 D CA -0.035 53.857 54.000 -0.181 0.000 0.837 20 D CB 0.264 40.963 40.800 -0.169 0.000 0.938 20 D HN 0.202 nan 8.370 nan 0.000 0.508 21 G N -1.339 107.281 108.800 -0.299 0.000 2.606 21 G HA2 0.324 4.284 3.960 -0.000 0.000 0.262 21 G HA3 0.324 4.284 3.960 -0.000 0.000 0.262 21 G C 0.269 174.929 174.900 -0.399 0.000 1.394 21 G CA -0.428 44.415 45.100 -0.428 0.000 1.044 21 G HN 0.230 nan 8.290 nan 0.000 0.553 22 F N -1.056 118.958 119.950 0.108 0.000 2.740 22 F HA 0.377 4.904 4.527 -0.000 0.000 0.304 22 F C 1.017 176.862 175.800 0.076 0.000 1.098 22 F CA -0.438 57.608 58.000 0.076 0.000 1.258 22 F CB 0.361 39.393 39.000 0.054 0.000 1.061 22 F HN -0.105 nan 8.300 nan 0.000 0.598 23 L N 2.618 123.992 121.223 0.251 0.000 2.467 23 L HA 0.173 4.513 4.340 -0.000 0.000 0.270 23 L C -2.025 174.923 176.870 0.130 0.000 1.205 23 L CA -1.892 53.023 54.840 0.125 0.000 0.828 23 L CB -0.196 41.851 42.059 -0.021 0.000 1.101 23 L HN -0.215 nan 8.230 nan 0.000 0.479 24 P HA 0.330 nan 4.420 nan 0.000 0.274 24 P C -0.917 176.388 177.300 0.008 0.000 1.246 24 P CA -0.206 62.918 63.100 0.039 0.000 0.795 24 P CB 0.739 32.458 31.700 0.031 0.000 1.006 25 I N 0.122 120.723 120.570 0.052 0.000 2.509 25 I HA 0.389 4.559 4.170 -0.000 0.000 0.293 25 I C -0.874 175.293 176.117 0.082 0.000 1.020 25 I CA -0.432 60.915 61.300 0.079 0.000 1.088 25 I CB 1.678 39.768 38.000 0.149 0.000 1.267 25 I HN 0.322 nan 8.210 nan 0.000 0.430 26 W N 7.480 128.647 121.300 -0.221 0.000 2.362 26 W HA 0.423 5.083 4.660 -0.000 0.000 0.316 26 W C -0.653 175.687 176.519 -0.299 0.000 1.024 26 W CA -1.661 55.584 57.345 -0.167 0.000 1.270 26 W CB 1.120 30.462 29.460 -0.198 0.000 1.273 26 W HN 0.370 nan 8.180 nan 0.000 0.424 27 K N 7.641 128.027 120.400 -0.023 0.000 2.263 27 K HA 0.338 4.658 4.320 -0.000 0.000 0.282 27 K C -0.306 176.219 176.600 -0.125 0.000 1.089 27 K CA -0.248 55.826 56.287 -0.354 0.000 0.907 27 K CB 0.188 32.558 32.500 -0.216 0.000 1.148 27 K HN 0.595 nan 8.250 nan 0.000 0.470 28 L N 2.193 123.230 121.223 -0.310 0.000 2.855 28 L HA 0.582 4.922 4.340 -0.000 0.000 0.204 28 L C 0.345 177.214 176.870 -0.001 0.000 1.206 28 L CA -0.881 53.891 54.840 -0.114 0.000 0.942 28 L CB 0.482 42.431 42.059 -0.183 0.000 1.832 28 L HN 0.807 nan 8.230 nan 0.000 0.522 29 T N -2.277 112.317 114.554 0.066 0.000 3.288 29 T HA 0.049 4.399 4.350 -0.000 0.000 0.404 29 T C 0.410 175.177 174.700 0.110 0.000 1.013 29 T CA -0.115 62.041 62.100 0.093 0.000 1.024 29 T CB -1.071 67.858 68.868 0.101 0.000 1.405 29 T HN 1.007 nan 8.240 nan 0.000 0.424 30 G N 2.805 111.657 108.800 0.087 0.000 2.479 30 G HA2 0.150 4.110 3.960 -0.000 0.000 0.220 30 G HA3 0.150 4.110 3.960 -0.000 0.000 0.220 30 G C 0.239 175.185 174.900 0.075 0.000 1.115 30 G CA 1.102 46.237 45.100 0.058 0.000 0.757 30 G HN 1.191 nan 8.290 nan 0.000 0.560 31 D N -0.737 119.733 120.400 0.118 0.000 2.978 31 D HA 0.263 4.903 4.640 -0.000 0.000 0.268 31 D C -0.574 175.832 176.300 0.176 0.000 1.252 31 D CA -0.934 53.151 54.000 0.142 0.000 0.771 31 D CB -0.698 40.149 40.800 0.077 0.000 1.361 31 D HN 0.118 nan 8.370 nan 0.000 0.558 32 E N 0.713 121.053 120.200 0.233 0.000 0.724 32 E HA -0.153 4.197 4.350 -0.000 0.000 0.339 32 E C 0.172 177.032 176.600 0.434 0.000 0.770 32 E CA 0.779 57.385 56.400 0.344 0.000 1.262 32 E CB -0.619 29.335 29.700 0.423 0.000 0.520 32 E HN 0.578 nan 8.360 nan 0.000 0.346 33 S N 2.018 117.930 115.700 0.353 0.000 2.645 33 S HA 0.306 4.776 4.470 -0.000 0.000 0.266 33 S C 1.060 175.913 174.600 0.421 0.000 1.258 33 S CA -0.914 57.515 58.200 0.381 0.000 0.990 33 S CB 1.202 64.556 63.200 0.257 0.000 0.967 33 S HN 0.359 nan 8.310 nan 0.000 0.556 34 L N 1.480 122.961 121.223 0.430 0.000 1.990 34 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 34 L C 2.090 179.063 176.870 0.172 0.000 1.072 34 L CA 1.940 56.910 54.840 0.216 0.000 0.755 34 L CB -1.545 40.648 42.059 0.223 0.000 0.889 34 L HN 0.741 nan 8.230 nan 0.000 0.432 35 N N -0.227 118.595 118.700 0.203 0.000 2.223 35 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 35 N C 1.468 177.147 175.510 0.282 0.000 1.016 35 N CA 1.341 54.523 53.050 0.221 0.000 0.863 35 N CB -0.384 38.205 38.487 0.170 0.000 0.983 35 N HN 0.422 nan 8.380 nan 0.000 0.429 36 D N 0.662 121.212 120.400 0.249 0.000 2.106 36 D HA -0.107 4.533 4.640 -0.000 0.000 0.191 36 D C 2.098 178.569 176.300 0.284 0.000 0.997 36 D CA 0.723 54.873 54.000 0.250 0.000 0.834 36 D CB -0.350 40.607 40.800 0.261 0.000 0.956 36 D HN 0.186 nan 8.370 nan 0.000 0.448 37 L N -0.861 120.528 121.223 0.277 0.000 2.012 37 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 37 L C 2.360 179.458 176.870 0.378 0.000 1.073 37 L CA 1.278 56.313 54.840 0.325 0.000 0.748 37 L CB -0.556 41.430 42.059 -0.122 0.000 0.891 37 L HN 0.263 nan 8.230 nan 0.000 0.431 38 W N 1.628 123.071 121.300 0.238 0.000 2.335 38 W HA -0.233 4.427 4.660 -0.000 0.000 0.311 38 W C 2.367 178.934 176.519 0.080 0.000 1.213 38 W CA 2.037 59.500 57.345 0.198 0.000 1.274 38 W CB -0.135 29.387 29.460 0.103 0.000 1.148 38 W HN 0.151 nan 8.180 nan 0.000 0.498 39 L N -1.115 120.261 121.223 0.254 0.000 2.240 39 L HA 0.060 4.400 4.340 -0.000 0.000 0.211 39 L C 1.990 178.736 176.870 -0.205 0.000 1.106 39 L CA 1.724 56.565 54.840 0.001 0.000 0.793 39 L CB -1.277 40.892 42.059 0.183 0.000 0.927 39 L HN -0.171 nan 8.230 nan 0.000 0.446 40 E N 0.841 120.929 120.200 -0.185 0.000 2.028 40 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 40 E C 2.048 178.164 176.600 -0.807 0.000 0.984 40 E CA 1.044 57.159 56.400 -0.476 0.000 0.800 40 E CB -0.494 28.988 29.700 -0.363 0.000 0.758 40 E HN 0.538 nan 8.360 nan 0.000 0.448 41 N N 0.696 118.984 118.700 -0.687 0.000 2.149 41 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 41 N C 1.756 177.131 175.510 -0.224 0.000 1.019 41 N CA 1.464 54.289 53.050 -0.375 0.000 0.857 41 N CB -0.551 38.013 38.487 0.129 0.000 0.997 41 N HN 0.202 nan 8.380 nan 0.000 0.426 42 G N -0.078 108.483 108.800 -0.398 0.000 2.559 42 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 42 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 42 G C 1.484 176.157 174.900 -0.378 0.000 1.126 42 G CA 0.311 45.171 45.100 -0.401 0.000 0.778 42 G HN 0.370 nan 8.290 nan 0.000 0.543 43 K N -0.641 119.417 120.400 -0.569 0.000 2.296 43 K HA 0.040 4.360 4.320 -0.000 0.000 0.200 43 K C -0.232 175.988 176.600 -0.632 0.000 1.048 43 K CA 0.208 56.109 56.287 -0.643 0.000 0.966 43 K CB 0.056 32.042 32.500 -0.857 0.000 0.754 43 K HN 0.445 nan 8.250 nan 0.000 0.466 44 Y N -0.268 119.834 120.300 -0.330 0.000 2.327 44 Y HA 0.232 4.781 4.550 -0.000 0.000 0.336 44 Y C 0.952 176.607 175.900 -0.408 0.000 1.035 44 Y CA -0.834 57.016 58.100 -0.416 0.000 1.165 44 Y CB 1.396 39.496 38.460 -0.600 0.000 1.181 44 Y HN -0.079 nan 8.280 nan 0.000 0.494 45 A N 1.707 124.448 122.820 -0.131 0.000 2.343 45 A HA 0.179 4.499 4.320 -0.000 0.000 0.223 45 A C 0.795 178.337 177.584 -0.070 0.000 1.214 45 A CA 0.488 52.477 52.037 -0.080 0.000 0.900 45 A CB -0.148 18.814 19.000 -0.063 0.000 0.942 45 A HN 0.690 nan 8.150 nan 0.000 0.507 46 T N -3.026 111.451 114.554 -0.130 0.000 2.883 46 T HA 0.493 4.843 4.350 -0.000 0.000 0.284 46 T C -0.898 173.700 174.700 -0.170 0.000 1.041 46 T CA -0.766 61.278 62.100 -0.093 0.000 1.007 46 T CB 0.875 69.703 68.868 -0.066 0.000 1.220 46 T HN -0.002 nan 8.240 nan 0.000 0.552 47 D N 0.877 121.217 120.400 -0.100 0.000 2.478 47 D HA 0.372 5.012 4.640 -0.000 0.000 0.234 47 D C 0.208 176.323 176.300 -0.308 0.000 1.154 47 D CA 0.229 54.133 54.000 -0.161 0.000 0.874 47 D CB 0.795 41.497 40.800 -0.163 0.000 1.198 47 D HN 0.699 nan 8.370 nan 0.000 0.455 48 V N -0.519 119.167 119.914 -0.379 0.000 2.925 48 V HA 0.459 4.579 4.120 -0.000 0.000 0.311 48 V C -0.993 174.856 176.094 -0.408 0.000 1.104 48 V CA -1.123 60.904 62.300 -0.454 0.000 0.954 48 V CB 1.211 32.624 31.823 -0.684 0.000 1.022 48 V HN 0.274 nan 8.190 nan 0.000 0.427 49 Y N 1.518 121.721 120.300 -0.162 0.000 2.301 49 Y HA 0.814 5.364 4.550 -0.000 0.000 0.325 49 Y C 0.641 176.471 175.900 -0.117 0.000 1.203 49 Y CA 0.242 58.282 58.100 -0.100 0.000 1.255 49 Y CB 1.773 40.221 38.460 -0.020 0.000 1.232 49 Y HN 1.126 nan 8.280 nan 0.000 0.501 50 A N 3.069 125.922 122.820 0.055 0.000 2.486 50 A HA 0.782 5.102 4.320 -0.000 0.000 0.300 50 A C -1.925 175.594 177.584 -0.109 0.000 1.048 50 A CA -0.687 51.301 52.037 -0.082 0.000 0.696 50 A CB 0.944 19.845 19.000 -0.165 0.000 1.278 50 A HN 0.726 nan 8.150 nan 0.000 0.405 51 Y N -0.387 119.840 120.300 -0.122 0.000 2.615 51 Y HA 0.889 5.439 4.550 -0.000 0.000 0.341 51 Y C 0.238 176.142 175.900 0.006 0.000 1.089 51 Y CA -0.919 57.067 58.100 -0.190 0.000 1.049 51 Y CB 0.804 39.164 38.460 -0.166 0.000 1.296 51 Y HN 2.289 nan 8.280 nan 0.000 0.470 52 G N 0.952 109.950 108.800 0.330 0.000 2.434 52 G HA2 0.067 4.027 3.960 -0.000 0.000 0.671 52 G HA3 0.067 4.027 3.960 -0.000 0.000 0.671 52 G C -1.887 173.203 174.900 0.316 0.000 1.280 52 G CA -0.637 44.630 45.100 0.278 0.000 0.975 52 G HN 1.047 nan 8.290 nan 0.000 0.510 53 D N -0.427 120.098 120.400 0.210 0.000 2.371 53 D HA 0.381 5.021 4.640 -0.000 0.000 0.256 53 D C 1.484 177.877 176.300 0.155 0.000 1.193 53 D CA 0.713 54.816 54.000 0.171 0.000 0.881 53 D CB 1.163 42.019 40.800 0.094 0.000 1.143 53 D HN 1.330 nan 8.370 nan 0.000 0.473 54 V N 1.331 121.324 119.914 0.133 0.000 3.276 54 V HA 0.140 4.260 4.120 -0.000 0.000 0.319 54 V C 1.502 177.605 176.094 0.017 0.000 1.427 54 V CA 0.390 62.754 62.300 0.106 0.000 1.102 54 V CB -0.383 31.372 31.823 -0.115 0.000 1.020 54 V HN 0.512 nan 8.190 nan 0.000 0.456 55 S N 1.667 117.341 115.700 -0.043 0.000 2.515 55 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 55 S C 1.626 176.124 174.600 -0.169 0.000 0.987 55 S CA 1.146 59.300 58.200 -0.077 0.000 0.936 55 S CB -0.518 62.655 63.200 -0.045 0.000 0.766 55 S HN 0.910 nan 8.310 nan 0.000 0.528 56 K N -0.532 119.652 120.400 -0.361 0.000 2.387 56 K HA 0.215 4.535 4.320 -0.000 0.000 0.198 56 K C -0.665 175.554 176.600 -0.635 0.000 1.022 56 K CA -0.669 55.306 56.287 -0.521 0.000 1.128 56 K CB -0.145 31.974 32.500 -0.636 0.000 0.853 56 K HN 0.495 nan 8.250 nan 0.000 0.523 57 W N 2.219 123.475 121.300 -0.074 0.000 2.551 57 W HA 0.238 4.898 4.660 -0.000 0.000 0.330 57 W C 0.204 176.673 176.519 -0.083 0.000 1.063 57 W CA -1.194 56.098 57.345 -0.088 0.000 1.222 57 W CB 1.463 30.826 29.460 -0.162 0.000 1.349 57 W HN -0.080 nan 8.180 nan 0.000 0.536 58 T N -0.060 114.621 114.554 0.212 0.000 2.868 58 T HA 0.076 4.426 4.350 -0.000 0.000 0.292 58 T C 0.802 175.555 174.700 0.087 0.000 1.028 58 T CA -0.546 61.616 62.100 0.104 0.000 1.059 58 T CB 1.251 70.171 68.868 0.086 0.000 0.991 58 T HN 0.449 nan 8.240 nan 0.000 0.531 59 I N 1.482 122.087 120.570 0.058 0.000 2.118 59 I HA -0.167 4.003 4.170 -0.000 0.000 0.241 59 I C 2.678 178.872 176.117 0.128 0.000 1.070 59 I CA 1.605 62.953 61.300 0.080 0.000 1.327 59 I CB -0.383 37.648 38.000 0.052 0.000 1.034 59 I HN 0.737 nan 8.210 nan 0.000 0.405 60 R N -0.252 120.310 120.500 0.103 0.000 2.120 60 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 60 R C 2.328 178.664 176.300 0.060 0.000 1.123 60 R CA 1.685 57.840 56.100 0.093 0.000 0.975 60 R CB -0.389 29.941 30.300 0.050 0.000 0.866 60 R HN 0.601 nan 8.270 nan 0.000 0.446 61 Q N 0.399 120.231 119.800 0.054 0.000 2.020 61 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 61 Q C 2.240 178.286 176.000 0.076 0.000 0.982 61 Q CA 1.256 57.085 55.803 0.044 0.000 0.838 61 Q CB -0.064 28.725 28.738 0.084 0.000 0.899 61 Q HN 0.349 nan 8.270 nan 0.000 0.423 62 L N 0.230 121.462 121.223 0.016 0.000 2.093 62 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 62 L C 2.492 179.443 176.870 0.135 0.000 1.085 62 L CA 0.749 55.510 54.840 -0.132 0.000 0.755 62 L CB -0.322 41.527 42.059 -0.350 0.000 0.904 62 L HN 0.160 nan 8.230 nan 0.000 0.435 63 R N 0.207 120.810 120.500 0.171 0.000 2.115 63 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 63 R C 2.236 178.610 176.300 0.123 0.000 1.111 63 R CA 1.270 57.476 56.100 0.177 0.000 0.976 63 R CB -1.099 29.347 30.300 0.243 0.000 0.870 63 R HN 0.391 nan 8.270 nan 0.000 0.445 64 G N 0.175 109.014 108.800 0.066 0.000 2.443 64 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 64 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 64 G C 1.186 176.028 174.900 -0.097 0.000 1.131 64 G CA 0.367 45.440 45.100 -0.046 0.000 0.775 64 G HN 0.377 nan 8.290 nan 0.000 0.547 65 H N 0.157 119.271 119.070 0.073 0.000 2.548 65 H HA 0.118 4.674 4.556 -0.000 0.000 0.268 65 H C 2.195 177.597 175.328 0.124 0.000 0.975 65 H CA 0.800 56.938 56.048 0.150 0.000 1.195 65 H CB 0.318 30.262 29.762 0.305 0.000 1.397 65 H HN 0.429 nan 8.280 nan 0.000 0.572 66 G N 0.713 109.615 108.800 0.169 0.000 2.132 66 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.228 66 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.228 66 G C -0.227 174.678 174.900 0.008 0.000 1.000 66 G CA -0.309 44.807 45.100 0.027 0.000 0.693 66 G HN 0.156 nan 8.290 nan 0.000 0.515 67 F N 0.263 120.125 119.950 -0.147 0.000 2.538 67 F HA 0.551 5.078 4.527 -0.000 0.000 0.371 67 F C 1.192 176.690 175.800 -0.502 0.000 1.087 67 F CA 0.037 57.812 58.000 -0.376 0.000 1.250 67 F CB 0.593 39.242 39.000 -0.584 0.000 1.110 67 F HN 0.033 nan 8.300 nan 0.000 0.570 68 I N 4.627 124.949 120.570 -0.412 0.000 2.465 68 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 68 I C -1.080 174.880 176.117 -0.261 0.000 1.014 68 I CA -0.712 60.428 61.300 -0.267 0.000 1.093 68 I CB 1.534 39.455 38.000 -0.132 0.000 1.267 68 I HN 0.257 nan 8.210 nan 0.000 0.431 69 F N 6.897 126.959 119.950 0.186 0.000 2.385 69 F HA 0.517 5.044 4.527 -0.000 0.000 0.360 69 F C -0.072 175.847 175.800 0.198 0.000 1.122 69 F CA -0.518 57.649 58.000 0.278 0.000 1.090 69 F CB 0.773 39.917 39.000 0.240 0.000 1.150 69 F HN 0.129 nan 8.300 nan 0.000 0.472 70 I N 2.647 123.415 120.570 0.331 0.000 2.436 70 I HA 0.593 4.763 4.170 -0.000 0.000 0.289 70 I C -0.127 176.105 176.117 0.191 0.000 1.010 70 I CA -0.120 61.298 61.300 0.196 0.000 1.098 70 I CB 1.968 40.039 38.000 0.118 0.000 1.266 70 I HN 0.570 nan 8.210 nan 0.000 0.434 71 S N 1.827 117.613 115.700 0.143 0.000 2.611 71 S HA 0.372 4.842 4.470 -0.000 0.000 0.268 71 S C 0.685 175.287 174.600 0.004 0.000 1.156 71 S CA 0.093 58.340 58.200 0.078 0.000 0.817 71 S CB 1.205 64.486 63.200 0.135 0.000 1.122 71 S HN 0.770 nan 8.310 nan 0.000 0.466 72 T N -0.094 114.373 114.554 -0.144 0.000 2.942 72 T HA 0.177 4.527 4.350 -0.000 0.000 0.265 72 T C 0.751 175.385 174.700 -0.111 0.000 1.062 72 T CA 0.908 62.909 62.100 -0.165 0.000 1.139 72 T CB -0.793 67.922 68.868 -0.255 0.000 0.883 72 T HN 0.711 nan 8.240 nan 0.000 0.468 73 H N 0.467 119.573 119.070 0.061 0.000 2.671 73 H HA 0.339 4.895 4.556 -0.000 0.000 0.372 73 H C 1.615 176.979 175.328 0.059 0.000 1.227 73 H CA -0.460 55.621 56.048 0.055 0.000 1.426 73 H CB 1.004 30.801 29.762 0.058 0.000 1.480 73 H HN 0.003 nan 8.280 nan 0.000 0.611 74 K N 0.464 120.974 120.400 0.184 0.000 2.097 74 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 74 K C -0.257 176.404 176.600 0.102 0.000 1.050 74 K CA 1.321 57.675 56.287 0.111 0.000 0.938 74 K CB 0.144 32.690 32.500 0.077 0.000 0.718 74 K HN 0.742 nan 8.250 nan 0.000 0.442 75 N N -2.434 116.332 118.700 0.109 0.000 2.934 75 N HA 0.218 4.958 4.740 -0.000 0.000 0.253 75 N C -1.702 173.859 175.510 0.085 0.000 1.466 75 N CA -0.928 52.166 53.050 0.073 0.000 0.858 75 N CB 1.906 40.409 38.487 0.026 0.000 1.459 75 N HN -0.208 nan 8.380 nan 0.000 0.532 76 V N -0.319 119.612 119.914 0.029 0.000 2.735 76 V HA 0.533 4.653 4.120 -0.000 0.000 0.310 76 V C -1.184 174.888 176.094 -0.036 0.000 1.061 76 V CA -0.590 61.735 62.300 0.042 0.000 0.913 76 V CB 1.847 33.746 31.823 0.126 0.000 1.005 76 V HN 0.868 nan 8.190 nan 0.000 0.428 77 Q N 4.426 124.222 119.800 -0.007 0.000 2.337 77 Q HA 0.487 4.827 4.340 -0.000 0.000 0.255 77 Q C -1.139 174.833 176.000 -0.047 0.000 0.997 77 Q CA 0.091 55.876 55.803 -0.030 0.000 0.925 77 Q CB 0.932 29.662 28.738 -0.014 0.000 1.212 77 Q HN 0.640 nan 8.270 nan 0.000 0.436 78 L N 2.262 123.439 121.223 -0.077 0.000 2.440 78 L HA 0.600 4.940 4.340 -0.000 0.000 0.262 78 L C 0.980 177.819 176.870 -0.052 0.000 1.072 78 L CA 0.124 54.920 54.840 -0.073 0.000 0.798 78 L CB 0.476 42.471 42.059 -0.106 0.000 1.307 78 L HN 0.773 nan 8.230 nan 0.000 0.475 79 A N -0.700 122.095 122.820 -0.043 0.000 2.167 79 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 79 A C 1.382 178.954 177.584 -0.020 0.000 1.151 79 A CA 1.217 53.228 52.037 -0.044 0.000 0.735 79 A CB -0.352 18.613 19.000 -0.059 0.000 0.802 79 A HN 0.776 nan 8.150 nan 0.000 0.467 80 D N -0.927 119.465 120.400 -0.012 0.000 2.995 80 D HA 0.220 4.860 4.640 -0.000 0.000 0.289 80 D C 0.656 176.954 176.300 -0.003 0.000 1.116 80 D CA 1.132 55.135 54.000 0.003 0.000 0.994 80 D CB 0.393 41.203 40.800 0.017 0.000 1.209 80 D HN 0.486 nan 8.370 nan 0.000 0.458 81 I N -2.294 118.264 120.570 -0.020 0.000 3.279 81 I HA 0.437 4.607 4.170 -0.000 0.000 0.315 81 I C -0.802 175.288 176.117 -0.045 0.000 1.187 81 I CA -1.170 60.117 61.300 -0.022 0.000 0.953 81 I CB 2.414 40.407 38.000 -0.012 0.000 1.279 81 I HN -0.294 nan 8.210 nan 0.000 0.465 82 I N 2.756 123.304 120.570 -0.036 0.000 2.260 82 I HA 0.215 4.385 4.170 -0.000 0.000 0.297 82 I C -0.079 176.002 176.117 -0.059 0.000 1.143 82 I CA -0.277 60.996 61.300 -0.044 0.000 1.271 82 I CB 0.215 38.202 38.000 -0.022 0.000 1.461 82 I HN 0.455 nan 8.210 nan 0.000 0.530 83 K N 5.220 125.548 120.400 -0.121 0.000 2.339 83 K HA 0.153 4.473 4.320 -0.000 0.000 0.286 83 K C -0.122 176.413 176.600 -0.108 0.000 1.050 83 K CA -0.044 56.143 56.287 -0.166 0.000 0.956 83 K CB 0.491 32.746 32.500 -0.407 0.000 0.990 83 K HN 0.420 nan 8.250 nan 0.000 0.475 84 T N 3.502 118.035 114.554 -0.036 0.000 2.902 84 T HA 0.036 4.386 4.350 -0.000 0.000 0.301 84 T C -0.130 174.595 174.700 0.042 0.000 1.012 84 T CA -0.478 61.633 62.100 0.017 0.000 1.151 84 T CB 0.518 69.413 68.868 0.045 0.000 0.946 84 T HN 0.344 nan 8.240 nan 0.000 0.542 85 V N 4.697 124.659 119.914 0.080 0.000 2.493 85 V HA -0.027 4.093 4.120 -0.000 0.000 0.292 85 V C 1.303 177.490 176.094 0.156 0.000 1.016 85 V CA 0.160 62.547 62.300 0.145 0.000 1.097 85 V CB 0.616 32.528 31.823 0.149 0.000 0.947 85 V HN 0.878 nan 8.190 nan 0.000 0.479 86 D N 3.610 124.143 120.400 0.221 0.000 2.084 86 D HA -0.064 4.576 4.640 -0.000 0.000 0.194 86 D C 0.538 176.906 176.300 0.113 0.000 0.990 86 D CA 1.377 55.485 54.000 0.179 0.000 0.826 86 D CB 0.164 41.090 40.800 0.211 0.000 0.971 86 D HN 0.397 nan 8.370 nan 0.000 0.453 87 V N 1.174 121.151 119.914 0.105 0.000 2.350 87 V HA 0.273 4.393 4.120 -0.000 0.000 0.285 87 V C 0.134 176.260 176.094 0.054 0.000 1.014 87 V CA -0.767 61.561 62.300 0.045 0.000 0.831 87 V CB 1.879 33.696 31.823 -0.009 0.000 1.000 87 V HN -0.081 nan 8.190 nan 0.000 0.433 88 R N 5.266 125.791 120.500 0.042 0.000 2.196 88 R HA 0.435 4.775 4.340 -0.000 0.000 0.340 88 R C -0.526 175.785 176.300 0.019 0.000 1.043 88 R CA -0.621 55.504 56.100 0.041 0.000 0.883 88 R CB 0.468 30.795 30.300 0.045 0.000 1.078 88 R HN 0.555 nan 8.270 nan 0.000 0.462 89 I N 7.454 128.039 120.570 0.025 0.000 2.452 89 I HA 0.176 4.346 4.170 -0.000 0.000 0.287 89 I C -1.855 174.271 176.117 0.015 0.000 1.079 89 I CA -2.638 58.681 61.300 0.031 0.000 1.387 89 I CB 0.608 38.672 38.000 0.108 0.000 1.404 89 I HN 0.446 nan 8.210 nan 0.000 0.522 90 P HA 0.194 nan 4.420 nan 0.000 0.271 90 P C 0.911 178.208 177.300 -0.004 0.000 1.233 90 P CA -0.300 62.802 63.100 0.004 0.000 0.789 90 P CB 0.762 32.465 31.700 0.006 0.000 0.951 91 R N 1.109 121.605 120.500 -0.007 0.000 2.082 91 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 91 R C 1.954 178.245 176.300 -0.016 0.000 1.136 91 R CA 1.709 57.801 56.100 -0.014 0.000 0.935 91 R CB -0.483 29.814 30.300 -0.004 0.000 0.842 91 R HN 0.620 nan 8.270 nan 0.000 0.430 92 E N 0.402 120.599 120.200 -0.005 0.000 2.209 92 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 92 E C 1.965 178.563 176.600 -0.004 0.000 0.993 92 E CA 1.260 57.659 56.400 -0.002 0.000 0.819 92 E CB -0.125 29.577 29.700 0.004 0.000 0.745 92 E HN 0.179 nan 8.360 nan 0.000 0.477 93 V N 1.597 121.510 119.914 -0.001 0.000 2.809 93 V HA -0.166 3.954 4.120 -0.000 0.000 0.256 93 V C 2.436 178.516 176.094 -0.023 0.000 1.080 93 V CA 1.256 63.562 62.300 0.011 0.000 1.102 93 V CB -0.586 31.260 31.823 0.038 0.000 0.705 93 V HN 0.279 nan 8.190 nan 0.000 0.475 94 A N -0.309 122.469 122.820 -0.071 0.000 1.873 94 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 94 A C 1.760 179.102 177.584 -0.404 0.000 1.193 94 A CA 1.942 53.867 52.037 -0.187 0.000 0.629 94 A CB -0.261 18.640 19.000 -0.165 0.000 0.826 94 A HN 0.528 nan 8.150 nan 0.000 0.447 95 R N -2.054 118.219 120.500 -0.378 0.000 3.041 95 R HA -0.089 4.251 4.340 -0.000 0.000 0.310 95 R C -0.099 176.197 176.300 -0.007 0.000 1.070 95 R CA 0.662 56.679 56.100 -0.138 0.000 0.741 95 R CB -1.900 28.323 30.300 -0.128 0.000 1.592 95 R HN 0.410 nan 8.270 nan 0.000 0.426 96 S N 0.271 115.988 115.700 0.029 0.000 2.710 96 S HA 0.056 4.526 4.470 -0.000 0.000 0.224 96 S C 0.158 174.874 174.600 0.193 0.000 0.948 96 S CA 0.469 58.739 58.200 0.117 0.000 0.949 96 S CB -0.132 63.108 63.200 0.067 0.000 0.778 96 S HN 0.619 nan 8.310 nan 0.000 0.498 97 H N 0.417 119.451 119.070 -0.060 0.000 2.958 97 H HA -0.142 4.414 4.556 -0.000 0.000 0.274 97 H C -0.164 175.093 175.328 -0.118 0.000 1.184 97 H CA 0.825 56.804 56.048 -0.116 0.000 1.143 97 H CB -1.625 28.092 29.762 -0.076 0.000 1.297 97 H HN 0.303 nan 8.280 nan 0.000 0.356 98 D N 0.284 120.686 120.400 0.004 0.000 2.338 98 D HA 0.058 4.698 4.640 -0.000 0.000 0.255 98 D C 1.293 177.589 176.300 -0.007 0.000 1.237 98 D CA -0.181 53.822 54.000 0.004 0.000 0.883 98 D CB 0.626 41.440 40.800 0.023 0.000 1.087 98 D HN 0.205 nan 8.370 nan 0.000 0.485 99 M N 4.837 124.413 119.600 -0.039 0.000 2.175 99 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 99 M C 1.606 177.947 176.300 0.067 0.000 1.063 99 M CA 1.601 56.881 55.300 -0.034 0.000 1.119 99 M CB 0.026 32.550 32.600 -0.126 0.000 1.377 99 M HN 0.261 nan 8.290 nan 0.000 0.415 100 K N -0.624 119.802 120.400 0.044 0.000 2.001 100 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 100 K C 1.993 178.630 176.600 0.062 0.000 1.048 100 K CA 1.439 57.759 56.287 0.055 0.000 0.932 100 K CB -0.446 32.079 32.500 0.042 0.000 0.715 100 K HN 0.415 nan 8.250 nan 0.000 0.437 101 A N 1.037 123.893 122.820 0.060 0.000 1.940 101 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 101 A C 1.994 179.622 177.584 0.074 0.000 1.176 101 A CA 1.300 53.369 52.037 0.052 0.000 0.631 101 A CB -0.743 18.284 19.000 0.044 0.000 0.814 101 A HN 0.365 nan 8.150 nan 0.000 0.446 102 F N 1.070 120.988 119.950 -0.053 0.000 2.069 102 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 102 F C 2.278 178.066 175.800 -0.021 0.000 1.113 102 F CA 2.344 60.307 58.000 -0.062 0.000 1.214 102 F CB -0.436 38.494 39.000 -0.116 0.000 0.978 102 F HN 0.384 nan 8.300 nan 0.000 0.474 103 E N -0.063 120.138 120.200 0.001 0.000 2.077 103 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 103 E C 1.870 178.413 176.600 -0.095 0.000 0.989 103 E CA 1.615 57.978 56.400 -0.061 0.000 0.800 103 E CB -0.506 29.244 29.700 0.083 0.000 0.746 103 E HN 0.590 nan 8.360 nan 0.000 0.452 104 N N 0.664 119.335 118.700 -0.049 0.000 2.223 104 N HA -0.196 4.544 4.740 -0.000 0.000 0.185 104 N C 1.796 177.259 175.510 -0.078 0.000 1.016 104 N CA 1.000 54.020 53.050 -0.050 0.000 0.863 104 N CB -0.016 38.458 38.487 -0.022 0.000 0.983 104 N HN 0.060 nan 8.380 nan 0.000 0.429 105 E N 1.315 121.450 120.200 -0.109 0.000 2.031 105 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 105 E C 1.710 178.212 176.600 -0.163 0.000 0.994 105 E CA 1.094 57.418 56.400 -0.127 0.000 0.800 105 E CB -0.218 29.399 29.700 -0.138 0.000 0.752 105 E HN 0.318 nan 8.360 nan 0.000 0.447 106 I N 0.053 120.467 120.570 -0.261 0.000 2.118 106 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 106 I C 2.419 178.457 176.117 -0.131 0.000 1.070 106 I CA 1.470 62.636 61.300 -0.222 0.000 1.327 106 I CB -0.869 36.966 38.000 -0.274 0.000 1.034 106 I HN 0.283 nan 8.210 nan 0.000 0.405 107 G N 0.649 109.383 108.800 -0.111 0.000 2.421 107 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 107 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 107 G C 1.816 176.674 174.900 -0.070 0.000 1.171 107 G CA 0.526 45.580 45.100 -0.076 0.000 0.775 107 G HN 0.302 nan 8.290 nan 0.000 0.543 108 R N -0.197 120.263 120.500 -0.066 0.000 2.070 108 R HA -0.048 4.292 4.340 -0.000 0.000 0.233 108 R C 2.658 178.924 176.300 -0.057 0.000 1.137 108 R CA 1.445 57.512 56.100 -0.055 0.000 0.945 108 R CB -0.300 29.973 30.300 -0.043 0.000 0.845 108 R HN 0.255 nan 8.270 nan 0.000 0.430 109 R N 1.118 121.583 120.500 -0.058 0.000 2.120 109 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 109 R C 2.108 178.377 176.300 -0.052 0.000 1.123 109 R CA 1.483 57.556 56.100 -0.045 0.000 0.975 109 R CB -0.227 30.051 30.300 -0.038 0.000 0.866 109 R HN -0.013 nan 8.270 nan 0.000 0.446 110 R N 0.059 120.517 120.500 -0.069 0.000 2.091 110 R HA -0.007 4.333 4.340 -0.000 0.000 0.238 110 R C 2.081 178.300 176.300 -0.135 0.000 1.136 110 R CA 1.936 57.987 56.100 -0.082 0.000 0.959 110 R CB -0.371 29.883 30.300 -0.076 0.000 0.856 110 R HN 0.311 nan 8.270 nan 0.000 0.437 111 I N 0.317 120.805 120.570 -0.137 0.000 2.286 111 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 111 I C 2.071 178.087 176.117 -0.168 0.000 1.115 111 I CA 1.048 62.235 61.300 -0.188 0.000 1.392 111 I CB -0.215 37.711 38.000 -0.123 0.000 1.065 111 I HN 0.143 nan 8.210 nan 0.000 0.418 112 R N 0.385 120.827 120.500 -0.096 0.000 2.148 112 R HA -0.064 4.276 4.340 -0.000 0.000 0.227 112 R C 2.054 178.329 176.300 -0.042 0.000 1.103 112 R CA 1.143 57.209 56.100 -0.057 0.000 0.983 112 R CB -0.444 29.840 30.300 -0.027 0.000 0.874 112 R HN 0.440 nan 8.270 nan 0.000 0.451 113 M N -0.181 119.391 119.600 -0.047 0.000 2.476 113 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 113 M C 1.946 178.267 176.300 0.036 0.000 1.079 113 M CA 1.079 56.392 55.300 0.022 0.000 1.104 113 M CB -0.145 32.478 32.600 0.040 0.000 1.409 113 M HN 0.026 nan 8.290 nan 0.000 0.467 114 R N 0.411 120.828 120.500 -0.138 0.000 2.105 114 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 114 R C 2.198 178.545 176.300 0.078 0.000 1.135 114 R CA 1.247 57.241 56.100 -0.177 0.000 0.967 114 R CB -0.341 29.631 30.300 -0.547 0.000 0.861 114 R HN 0.340 nan 8.270 nan 0.000 0.442 115 K N 0.056 120.472 120.400 0.026 0.000 2.057 115 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 115 K C 2.119 178.781 176.600 0.103 0.000 1.049 115 K CA 1.496 57.811 56.287 0.046 0.000 0.931 115 K CB -0.241 32.276 32.500 0.029 0.000 0.714 115 K HN 0.303 nan 8.250 nan 0.000 0.440 116 G N 0.780 109.670 108.800 0.149 0.000 2.440 116 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 116 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 116 G C 1.303 176.347 174.900 0.240 0.000 1.154 116 G CA 0.694 45.907 45.100 0.189 0.000 0.767 116 G HN 0.364 nan 8.290 nan 0.000 0.552 117 F N 2.376 122.442 119.950 0.194 0.000 2.051 117 F HA 0.042 4.569 4.527 -0.000 0.000 0.296 117 F C 2.590 178.510 175.800 0.200 0.000 1.122 117 F CA 1.807 59.940 58.000 0.220 0.000 1.201 117 F CB -0.714 38.529 39.000 0.404 0.000 0.978 117 F HN 0.101 nan 8.300 nan 0.000 0.472 118 G N -0.333 108.440 108.800 -0.044 0.000 2.442 118 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 118 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 118 G C 1.252 176.173 174.900 0.034 0.000 1.141 118 G CA 1.176 46.226 45.100 -0.082 0.000 0.763 118 G HN 0.390 nan 8.290 nan 0.000 0.554 119 D N 0.643 121.071 120.400 0.045 0.000 2.183 119 D HA 0.084 4.724 4.640 -0.000 0.000 0.203 119 D C 2.760 179.108 176.300 0.080 0.000 0.969 119 D CA 1.020 55.072 54.000 0.086 0.000 0.842 119 D CB -0.327 40.526 40.800 0.088 0.000 0.957 119 D HN 0.304 nan 8.370 nan 0.000 0.484 120 A N 0.543 123.381 122.820 0.031 0.000 1.898 120 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 120 A C 2.267 179.861 177.584 0.017 0.000 1.181 120 A CA 0.796 52.847 52.037 0.023 0.000 0.620 120 A CB -0.707 18.280 19.000 -0.021 0.000 0.819 120 A HN 0.198 nan 8.150 nan 0.000 0.442 121 L N -1.367 119.811 121.223 -0.075 0.000 2.141 121 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 121 L C 2.796 179.705 176.870 0.066 0.000 1.094 121 L CA 1.522 56.327 54.840 -0.058 0.000 0.763 121 L CB -0.458 41.459 42.059 -0.235 0.000 0.908 121 L HN 0.422 nan 8.230 nan 0.000 0.437 122 R N 0.081 120.634 120.500 0.090 0.000 2.119 122 R HA -0.082 4.258 4.340 -0.000 0.000 0.222 122 R C 2.065 178.453 176.300 0.148 0.000 1.088 122 R CA 0.903 57.055 56.100 0.087 0.000 0.984 122 R CB 0.089 30.469 30.300 0.133 0.000 0.884 122 R HN 0.370 nan 8.270 nan 0.000 0.447 123 N N 0.020 118.861 118.700 0.235 0.000 2.142 123 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 123 N C 1.400 177.043 175.510 0.221 0.000 1.023 123 N CA 1.122 54.346 53.050 0.290 0.000 0.852 123 N CB -0.583 38.023 38.487 0.198 0.000 0.998 123 N HN 0.285 nan 8.380 nan 0.000 0.424 124 Y N 1.508 121.833 120.300 0.042 0.000 2.165 124 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 124 Y C 2.198 178.083 175.900 -0.024 0.000 1.155 124 Y CA 1.853 59.928 58.100 -0.042 0.000 1.164 124 Y CB -0.460 37.954 38.460 -0.078 0.000 0.978 124 Y HN 0.078 nan 8.280 nan 0.000 0.513 125 A N -0.484 122.314 122.820 -0.038 0.000 1.969 125 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 125 A C 2.055 179.649 177.584 0.018 0.000 1.169 125 A CA 1.411 53.357 52.037 -0.151 0.000 0.635 125 A CB -1.408 17.535 19.000 -0.096 0.000 0.810 125 A HN 0.591 nan 8.150 nan 0.000 0.445 126 F N -0.031 120.063 119.950 0.240 0.000 2.325 126 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 126 F C 2.237 178.168 175.800 0.218 0.000 1.090 126 F CA 0.905 59.073 58.000 0.280 0.000 1.392 126 F CB 0.227 39.222 39.000 -0.009 0.000 1.053 126 F HN 0.029 nan 8.300 nan 0.000 0.521 127 K N -0.500 119.997 120.400 0.161 0.000 2.167 127 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 127 K C 1.581 178.118 176.600 -0.104 0.000 1.052 127 K CA 0.962 57.251 56.287 0.003 0.000 0.956 127 K CB -0.093 32.338 32.500 -0.114 0.000 0.735 127 K HN 0.271 nan 8.250 nan 0.000 0.451 128 M N -0.823 118.636 119.600 -0.235 0.000 2.308 128 M HA 0.259 4.739 4.480 -0.000 0.000 0.269 128 M C 0.287 176.491 176.300 -0.159 0.000 1.040 128 M CA -0.092 55.038 55.300 -0.283 0.000 1.024 128 M CB 0.509 32.761 32.600 -0.581 0.000 1.465 128 M HN -0.175 nan 8.290 nan 0.000 0.517 129 A N 0.018 122.796 122.820 -0.070 0.000 2.469 129 A HA 0.735 5.055 4.320 -0.000 0.000 0.299 129 A C 0.372 178.032 177.584 0.126 0.000 1.098 129 A CA -0.488 51.498 52.037 -0.083 0.000 0.737 129 A CB 1.435 20.204 19.000 -0.384 0.000 1.312 129 A HN 0.078 nan 8.150 nan 0.000 0.414 130 I N 0.144 120.762 120.570 0.079 0.000 2.729 130 I HA 0.094 4.264 4.170 -0.000 0.000 0.256 130 I C 0.799 177.081 176.117 0.275 0.000 1.115 130 I CA 0.964 62.367 61.300 0.171 0.000 1.446 130 I CB -0.007 38.043 38.000 0.083 0.000 1.176 130 I HN 0.672 nan 8.210 nan 0.000 0.446 131 E N 0.703 120.977 120.200 0.123 0.000 2.249 131 E HA 0.350 4.700 4.350 -0.000 0.000 0.280 131 E C -1.327 175.210 176.600 -0.106 0.000 1.016 131 E CA -0.306 56.187 56.400 0.155 0.000 0.830 131 E CB 1.105 30.979 29.700 0.290 0.000 1.081 131 E HN -0.043 nan 8.360 nan 0.000 0.395 132 F N 2.059 121.965 119.950 -0.073 0.000 2.507 132 F HA 0.277 4.804 4.527 -0.000 0.000 0.328 132 F C 0.436 176.110 175.800 -0.210 0.000 1.136 132 F CA -0.661 57.285 58.000 -0.091 0.000 0.930 132 F CB 1.169 40.098 39.000 -0.120 0.000 1.166 132 F HN 0.365 nan 8.300 nan 0.000 0.436 133 H N 0.752 119.904 119.070 0.136 0.000 2.567 133 H HA 0.446 5.002 4.556 -0.000 0.000 0.345 133 H C 0.802 175.924 175.328 -0.343 0.000 1.169 133 H CA -0.256 55.749 56.048 -0.072 0.000 1.227 133 H CB 1.924 31.622 29.762 -0.107 0.000 1.607 133 H HN 0.800 nan 8.280 nan 0.000 0.534 134 G N 1.900 110.366 108.800 -0.556 0.000 2.305 134 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.287 134 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.287 134 G C -0.059 174.785 174.900 -0.093 0.000 1.036 134 G CA 0.572 45.358 45.100 -0.523 0.000 0.887 134 G HN 0.479 nan 8.290 nan 0.000 0.505 135 S N -0.609 115.061 115.700 -0.050 0.000 2.632 135 S HA 0.705 5.175 4.470 -0.000 0.000 0.271 135 S C 0.456 175.056 174.600 -0.001 0.000 1.260 135 S CA -0.297 57.910 58.200 0.012 0.000 1.010 135 S CB 2.037 65.231 63.200 -0.009 0.000 0.965 135 S HN 0.571 nan 8.310 nan 0.000 0.534 136 E N -0.706 119.505 120.200 0.019 0.000 2.421 136 E HA 0.506 4.856 4.350 -0.000 0.000 0.265 136 E C 0.779 177.396 176.600 0.029 0.000 0.990 136 E CA -0.720 55.689 56.400 0.016 0.000 0.874 136 E CB 0.776 30.504 29.700 0.045 0.000 1.646 136 E HN 0.483 nan 8.360 nan 0.000 0.451 137 A N 1.090 123.959 122.820 0.082 0.000 1.958 137 A HA -0.274 4.046 4.320 -0.000 0.000 0.221 137 A C 1.830 179.502 177.584 0.147 0.000 1.178 137 A CA 2.395 54.541 52.037 0.182 0.000 0.642 137 A CB -0.814 18.343 19.000 0.262 0.000 0.816 137 A HN 0.653 nan 8.150 nan 0.000 0.453 138 E N 0.062 120.326 120.200 0.106 0.000 2.160 138 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 138 E C 1.620 178.284 176.600 0.108 0.000 0.991 138 E CA 2.014 58.474 56.400 0.099 0.000 0.810 138 E CB -1.189 28.568 29.700 0.095 0.000 0.742 138 E HN 0.489 nan 8.360 nan 0.000 0.466 139 T N 1.943 116.548 114.554 0.086 0.000 2.809 139 T HA 0.089 4.439 4.350 -0.000 0.000 0.260 139 T C 2.183 176.906 174.700 0.039 0.000 1.039 139 T CA 0.997 63.144 62.100 0.079 0.000 1.141 139 T CB -0.252 68.601 68.868 -0.025 0.000 0.869 139 T HN 0.068 nan 8.240 nan 0.000 0.437 140 L N 1.459 122.666 121.223 -0.027 0.000 2.013 140 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 140 L C 2.553 179.502 176.870 0.132 0.000 1.073 140 L CA 1.167 55.964 54.840 -0.072 0.000 0.753 140 L CB -0.770 41.041 42.059 -0.415 0.000 0.890 140 L HN 0.209 nan 8.230 nan 0.000 0.432 141 N N -0.074 118.717 118.700 0.151 0.000 2.192 141 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 141 N C 0.990 176.490 175.510 -0.017 0.000 1.013 141 N CA 1.353 54.475 53.050 0.120 0.000 0.863 141 N CB -0.245 38.294 38.487 0.085 0.000 0.990 141 N HN 0.385 nan 8.380 nan 0.000 0.430 142 D N -0.718 119.595 120.400 -0.144 0.000 2.402 142 D HA 0.207 4.847 4.640 -0.000 0.000 0.216 142 D C -0.163 175.597 176.300 -0.900 0.000 1.128 142 D CA -0.026 53.710 54.000 -0.439 0.000 0.833 142 D CB 0.385 40.935 40.800 -0.417 0.000 0.971 142 D HN 0.093 nan 8.370 nan 0.000 0.503 143 A N 1.065 123.565 122.820 -0.533 0.000 2.306 143 A HA 0.339 4.659 4.320 -0.000 0.000 0.314 143 A C 0.169 177.639 177.584 -0.191 0.000 1.164 143 A CA -0.583 51.150 52.037 -0.508 0.000 0.822 143 A CB 0.817 19.728 19.000 -0.148 0.000 1.130 143 A HN -0.068 nan 8.150 nan 0.000 0.496 144 N N 3.268 121.981 118.700 0.021 0.000 2.415 144 N HA 0.197 4.937 4.740 -0.000 0.000 0.250 144 N C -1.746 173.780 175.510 0.025 0.000 1.127 144 N CA -2.205 50.873 53.050 0.047 0.000 0.945 144 N CB 0.994 39.544 38.487 0.105 0.000 1.196 144 N HN 0.288 nan 8.380 nan 0.000 0.499 145 P HA -0.052 nan 4.420 nan 0.000 0.230 145 P C 0.549 177.738 177.300 -0.185 0.000 1.158 145 P CA 0.820 63.800 63.100 -0.200 0.000 0.769 145 P CB 0.400 31.748 31.700 -0.586 0.000 0.807 146 R N -1.437 118.905 120.500 -0.263 0.000 2.310 146 R HA 0.173 4.513 4.340 -0.000 0.000 0.202 146 R C 1.635 177.875 176.300 -0.100 0.000 0.933 146 R CA 0.186 56.113 56.100 -0.289 0.000 1.054 146 R CB -0.053 30.025 30.300 -0.370 0.000 0.985 146 R HN 0.201 nan 8.270 nan 0.000 0.489 147 L N -1.405 119.765 121.223 -0.088 0.000 2.691 147 L HA 0.204 4.544 4.340 -0.000 0.000 0.185 147 L C 0.229 177.031 176.870 -0.113 0.000 1.081 147 L CA 0.224 54.983 54.840 -0.134 0.000 0.865 147 L CB 0.269 42.166 42.059 -0.271 0.000 1.370 147 L HN 0.015 nan 8.230 nan 0.000 0.488 148 H N 2.351 121.468 119.070 0.078 0.000 2.707 148 H HA 0.272 4.828 4.556 -0.000 0.000 0.359 148 H C -0.517 174.853 175.328 0.069 0.000 1.113 148 H CA 0.053 56.190 56.048 0.149 0.000 1.422 148 H CB 0.531 30.408 29.762 0.192 0.000 1.443 148 H HN 0.033 nan 8.280 nan 0.000 0.591 149 K N 3.448 123.948 120.400 0.167 0.000 2.339 149 K HA 0.306 4.626 4.320 -0.000 0.000 0.264 149 K C -0.276 176.139 176.600 -0.309 0.000 0.986 149 K CA -0.762 55.452 56.287 -0.121 0.000 0.866 149 K CB 1.679 34.096 32.500 -0.138 0.000 1.103 149 K HN 0.372 nan 8.250 nan 0.000 0.441 150 I N 4.707 125.040 120.570 -0.394 0.000 2.328 150 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 150 I C -0.241 175.578 176.117 -0.497 0.000 1.012 150 I CA -0.878 60.234 61.300 -0.314 0.000 1.195 150 I CB -0.146 37.760 38.000 -0.157 0.000 1.350 150 I HN 0.439 nan 8.210 nan 0.000 0.464 151 Y N 3.845 124.029 120.300 -0.193 0.000 2.587 151 Y HA 0.865 5.415 4.550 -0.000 0.000 0.337 151 Y C 0.941 176.726 175.900 -0.191 0.000 1.065 151 Y CA -0.656 57.300 58.100 -0.240 0.000 1.126 151 Y CB 2.375 40.569 38.460 -0.444 0.000 1.279 151 Y HN 0.693 nan 8.280 nan 0.000 0.489 152 G N 0.343 109.167 108.800 0.040 0.000 2.321 152 G HA2 0.402 4.362 3.960 -0.000 0.000 0.296 152 G HA3 0.402 4.362 3.960 -0.000 0.000 0.296 152 G C -1.766 173.122 174.900 -0.020 0.000 1.287 152 G CA -1.097 43.979 45.100 -0.041 0.000 0.846 152 G HN 0.390 nan 8.290 nan 0.000 0.508 153 M N 2.188 121.769 119.600 -0.032 0.000 2.353 153 M HA 0.261 4.741 4.480 -0.000 0.000 0.218 153 M C -2.605 173.687 176.300 -0.013 0.000 1.044 153 M CA -1.127 54.167 55.300 -0.010 0.000 0.615 153 M CB 1.397 33.995 32.600 -0.004 0.000 1.531 153 M HN 0.377 nan 8.290 nan 0.000 0.378 154 P HA 0.166 nan 4.420 nan 0.000 0.274 154 P C -0.540 176.733 177.300 -0.045 0.000 1.237 154 P CA -0.176 62.908 63.100 -0.026 0.000 0.793 154 P CB 0.880 32.566 31.700 -0.023 0.000 0.977 155 E N 1.043 121.194 120.200 -0.082 0.000 2.406 155 E HA 0.086 4.436 4.350 -0.000 0.000 0.258 155 E C 0.023 176.518 176.600 -0.174 0.000 1.043 155 E CA -0.180 56.145 56.400 -0.125 0.000 0.929 155 E CB 0.036 29.639 29.700 -0.161 0.000 0.969 155 E HN 0.331 nan 8.360 nan 0.000 0.462 156 I N 7.724 128.180 120.570 -0.191 0.000 2.598 156 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 156 I C -1.557 174.355 176.117 -0.340 0.000 1.140 156 I CA -1.484 59.621 61.300 -0.326 0.000 1.420 156 I CB 0.268 38.075 38.000 -0.322 0.000 1.387 156 I HN 0.376 nan 8.210 nan 0.000 0.553 157 P HA 0.213 nan 4.420 nan 0.000 0.274 157 P C -2.596 174.537 177.300 -0.279 0.000 1.256 157 P CA -1.590 61.304 63.100 -0.343 0.000 0.795 157 P CB -0.493 30.980 31.700 -0.379 0.000 1.038 158 P HA 0.129 nan 4.420 nan 0.000 0.261 158 P C -0.488 176.792 177.300 -0.033 0.000 1.183 158 P CA 0.974 63.972 63.100 -0.170 0.000 0.761 158 P CB 0.090 31.492 31.700 -0.497 0.000 0.785 159 L N 2.941 124.185 121.223 0.036 0.000 2.301 159 L HA 0.636 4.976 4.340 -0.000 0.000 0.249 159 L C -0.908 176.093 176.870 0.218 0.000 1.069 159 L CA -1.092 53.819 54.840 0.119 0.000 0.865 159 L CB 1.556 43.594 42.059 -0.035 0.000 1.467 159 L HN 0.221 nan 8.230 nan 0.000 0.419 160 Y N 0.923 121.288 120.300 0.109 0.000 2.396 160 Y HA 0.681 5.231 4.550 -0.000 0.000 0.332 160 Y C -0.828 175.137 175.900 0.108 0.000 1.034 160 Y CA -0.597 57.555 58.100 0.087 0.000 1.057 160 Y CB 1.640 40.127 38.460 0.045 0.000 1.220 160 Y HN 0.616 nan 8.280 nan 0.000 0.440 161 M N 1.435 120.842 119.600 -0.321 0.000 3.528 161 M HA 0.427 4.907 4.480 -0.000 0.000 0.379 161 M C 1.007 177.030 176.300 -0.462 0.000 1.684 161 M CA -0.601 54.555 55.300 -0.241 0.000 0.776 161 M CB 0.109 32.702 32.600 -0.012 0.000 2.539 161 M HN 0.475 nan 8.290 nan 0.000 0.445 162 E N -0.132 119.949 120.200 -0.199 0.000 2.831 162 E HA -0.386 3.964 4.350 -0.000 0.000 0.227 162 E C 0.741 177.233 176.600 -0.181 0.000 0.895 162 E CA 4.545 60.855 56.400 -0.149 0.000 1.313 162 E CB -0.412 29.245 29.700 -0.072 0.000 1.338 162 E HN 1.036 nan 8.360 nan 0.000 0.485 163 Y N -3.517 116.681 120.300 -0.170 0.000 2.913 163 Y HA 0.205 4.755 4.550 -0.000 0.000 0.464 163 Y C 0.750 176.549 175.900 -0.168 0.000 1.235 163 Y CA 0.422 58.428 58.100 -0.158 0.000 2.399 163 Y CB -1.737 36.629 38.460 -0.158 0.000 1.252 163 Y HN 1.736 nan 8.280 nan 0.000 0.631 164 A N 0.782 123.441 122.820 -0.269 0.000 2.439 164 A HA 0.276 4.596 4.320 -0.000 0.000 0.686 164 A C 0.238 177.801 177.584 -0.035 0.000 0.142 164 A CA 1.819 53.760 52.037 -0.159 0.000 0.040 164 A CB -1.510 17.445 19.000 -0.076 0.000 3.973 164 A HN 2.398 nan 8.150 nan 0.000 0.548 165 E N 0.544 120.759 120.200 0.025 0.000 3.027 165 E HA 0.102 4.452 4.350 -0.000 0.000 0.221 165 E C 0.889 177.535 176.600 0.077 0.000 1.070 165 E CA 0.120 56.544 56.400 0.041 0.000 1.705 165 E CB -0.058 29.659 29.700 0.029 0.000 1.998 165 E HN 1.448 nan 8.360 nan 0.000 0.976 166 I N 1.653 122.296 120.570 0.121 0.000 3.325 166 I HA -0.158 4.012 4.170 -0.000 0.000 0.354 166 I C 0.909 177.094 176.117 0.113 0.000 1.171 166 I CA 1.059 62.458 61.300 0.165 0.000 1.515 166 I CB -0.204 37.931 38.000 0.225 0.000 1.267 166 I HN 0.222 nan 8.210 nan 0.000 0.496 167 G N 5.248 114.113 108.800 0.110 0.000 2.948 167 G HA2 0.085 4.045 3.960 -0.000 0.000 0.174 167 G HA3 0.085 4.045 3.960 -0.000 0.000 0.174 167 G C 0.402 175.424 174.900 0.203 0.000 1.839 167 G CA 0.666 45.882 45.100 0.192 0.000 0.908 167 G HN 0.871 nan 8.290 nan 0.000 0.419 168 T N -0.593 114.069 114.554 0.180 0.000 2.788 168 T HA 0.447 4.797 4.350 -0.000 0.000 0.280 168 T C 0.393 175.256 174.700 0.270 0.000 0.984 168 T CA -0.476 61.724 62.100 0.167 0.000 0.972 168 T CB 0.817 69.755 68.868 0.117 0.000 1.039 168 T HN 0.458 nan 8.240 nan 0.000 0.530 169 R N 1.117 121.717 120.500 0.167 0.000 2.459 169 R HA 0.529 4.869 4.340 -0.000 0.000 0.281 169 R C -0.898 175.535 176.300 0.223 0.000 1.050 169 R CA -0.490 55.697 56.100 0.145 0.000 1.055 169 R CB 0.048 30.326 30.300 -0.036 0.000 1.045 169 R HN 0.546 nan 8.270 nan 0.000 0.495 170 F N 0.052 120.112 119.950 0.184 0.000 2.577 170 F HA 0.523 5.050 4.527 -0.000 0.000 0.318 170 F C -0.779 175.085 175.800 0.107 0.000 1.065 170 F CA -1.407 56.652 58.000 0.099 0.000 0.929 170 F CB 1.233 40.266 39.000 0.056 0.000 1.237 170 F HN 0.321 nan 8.300 nan 0.000 0.468 171 D N 2.219 122.763 120.400 0.239 0.000 2.424 171 D HA 0.203 4.843 4.640 -0.000 0.000 0.244 171 D C -0.875 175.641 176.300 0.360 0.000 1.134 171 D CA 0.898 55.006 54.000 0.180 0.000 0.881 171 D CB 1.146 42.026 40.800 0.134 0.000 1.191 171 D HN 0.596 nan 8.370 nan 0.000 0.445 172 D N 0.628 121.191 120.400 0.273 0.000 2.570 172 D HA 0.330 4.970 4.640 -0.000 0.000 0.244 172 D C -0.869 175.568 176.300 0.228 0.000 1.178 172 D CA -0.449 53.791 54.000 0.400 0.000 0.881 172 D CB 1.691 42.657 40.800 0.276 0.000 1.453 172 D HN 0.226 nan 8.370 nan 0.000 0.447 173 E N 0.501 120.783 120.200 0.136 0.000 2.320 173 E HA 0.470 4.820 4.350 -0.000 0.000 0.264 173 E C -2.248 174.331 176.600 -0.034 0.000 0.923 173 E CA -1.956 54.454 56.400 0.017 0.000 0.796 173 E CB 2.258 31.921 29.700 -0.060 0.000 1.262 173 E HN 0.197 nan 8.360 nan 0.000 0.428 174 P HA 0.013 nan 4.420 nan 0.000 0.269 174 P C -0.600 176.661 177.300 -0.065 0.000 1.215 174 P CA 0.106 63.184 63.100 -0.037 0.000 0.780 174 P CB 0.880 32.565 31.700 -0.026 0.000 0.898 175 T N -1.225 113.298 114.554 -0.052 0.000 2.591 175 T HA 0.286 4.636 4.350 -0.000 0.000 0.274 175 T C -0.293 174.386 174.700 -0.034 0.000 0.945 175 T CA -0.784 61.282 62.100 -0.056 0.000 1.087 175 T CB 0.157 68.991 68.868 -0.057 0.000 1.416 175 T HN 0.274 nan 8.240 nan 0.000 0.514 176 D N 2.046 122.430 120.400 -0.026 0.000 2.362 176 D HA 0.098 4.738 4.640 -0.000 0.000 0.238 176 D C 0.460 176.758 176.300 -0.003 0.000 1.212 176 D CA 0.132 54.125 54.000 -0.012 0.000 0.902 176 D CB 0.536 41.336 40.800 -0.000 0.000 1.180 176 D HN 0.685 nan 8.370 nan 0.000 0.445 177 E N 0.546 120.746 120.200 -0.001 0.000 2.452 177 E HA -0.091 4.259 4.350 -0.000 0.000 0.261 177 E C 0.958 177.568 176.600 0.016 0.000 0.987 177 E CA -0.303 56.098 56.400 0.003 0.000 0.926 177 E CB 0.936 30.637 29.700 0.001 0.000 0.934 177 E HN 0.391 nan 8.360 nan 0.000 0.452 178 K N 3.158 123.566 120.400 0.013 0.000 2.137 178 K HA -0.284 4.036 4.320 -0.000 0.000 0.216 178 K C 1.572 178.202 176.600 0.050 0.000 1.052 178 K CA 2.158 58.462 56.287 0.027 0.000 0.939 178 K CB -0.240 32.269 32.500 0.014 0.000 0.724 178 K HN 0.770 nan 8.250 nan 0.000 0.465 179 L N 0.502 121.750 121.223 0.043 0.000 2.240 179 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 179 L C 2.396 179.282 176.870 0.026 0.000 1.106 179 L CA 0.579 55.447 54.840 0.048 0.000 0.793 179 L CB 0.020 42.116 42.059 0.062 0.000 0.927 179 L HN 0.247 nan 8.230 nan 0.000 0.446 180 V N -3.208 116.726 119.914 0.033 0.000 2.788 180 V HA -0.102 4.018 4.120 -0.000 0.000 0.251 180 V C 2.276 178.406 176.094 0.061 0.000 1.068 180 V CA 1.702 64.035 62.300 0.055 0.000 1.090 180 V CB 0.525 32.399 31.823 0.086 0.000 0.710 180 V HN 0.307 nan 8.190 nan 0.000 0.467 181 S N 0.063 115.793 115.700 0.051 0.000 2.399 181 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 181 S C 1.803 176.420 174.600 0.028 0.000 1.022 181 S CA 2.117 60.361 58.200 0.074 0.000 0.983 181 S CB -0.399 62.857 63.200 0.093 0.000 0.803 181 S HN 0.712 nan 8.310 nan 0.000 0.480 182 M N 1.113 120.685 119.600 -0.046 0.000 2.065 182 M HA -0.142 4.338 4.480 -0.000 0.000 0.259 182 M C 1.788 177.753 176.300 -0.559 0.000 1.071 182 M CA 1.704 56.832 55.300 -0.286 0.000 1.109 182 M CB -0.494 32.046 32.600 -0.100 0.000 1.313 182 M HN 0.294 nan 8.290 nan 0.000 0.408 183 L N 0.078 121.090 121.223 -0.351 0.000 2.079 183 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 183 L C 2.061 178.776 176.870 -0.258 0.000 1.081 183 L CA 1.251 55.823 54.840 -0.446 0.000 0.752 183 L CB -1.158 40.428 42.059 -0.789 0.000 0.896 183 L HN 0.321 nan 8.230 nan 0.000 0.433 184 D N -0.316 120.064 120.400 -0.033 0.000 2.116 184 D HA -0.236 4.404 4.640 -0.000 0.000 0.193 184 D C 1.969 178.295 176.300 0.044 0.000 0.998 184 D CA 1.925 56.002 54.000 0.129 0.000 0.836 184 D CB -0.168 40.683 40.800 0.084 0.000 0.951 184 D HN 0.607 nan 8.370 nan 0.000 0.449 185 Y N -1.023 119.338 120.300 0.101 0.000 2.503 185 Y HA 0.244 4.794 4.550 -0.000 0.000 0.278 185 Y C 1.901 178.092 175.900 0.485 0.000 1.111 185 Y CA -0.099 58.164 58.100 0.272 0.000 1.270 185 Y CB -0.407 38.126 38.460 0.121 0.000 1.063 185 Y HN -0.131 nan 8.280 nan 0.000 0.548 186 I N 0.339 120.927 120.570 0.029 0.000 2.703 186 I HA 0.099 4.269 4.170 -0.000 0.000 0.259 186 I C 0.200 176.533 176.117 0.359 0.000 1.151 186 I CA 0.189 61.641 61.300 0.254 0.000 1.470 186 I CB 0.202 38.209 38.000 0.011 0.000 1.112 186 I HN -0.048 nan 8.210 nan 0.000 0.437 187 V N 2.397 122.438 119.914 0.213 0.000 2.405 187 V HA 0.035 4.155 4.120 -0.000 0.000 0.264 187 V C 0.283 176.552 176.094 0.292 0.000 1.048 187 V CA 0.371 62.794 62.300 0.206 0.000 0.966 187 V CB 0.056 31.992 31.823 0.189 0.000 1.015 187 V HN 0.448 nan 8.190 nan 0.000 0.477 188 Y N 4.033 124.301 120.300 -0.053 0.000 3.189 188 Y HA 0.060 4.610 4.550 -0.000 0.000 0.213 188 Y C 2.052 177.893 175.900 -0.099 0.000 1.032 188 Y CA 0.846 58.845 58.100 -0.169 0.000 1.482 188 Y CB 0.424 38.425 38.460 -0.764 0.000 1.460 188 Y HN 0.537 nan 8.280 nan 0.000 0.398 189 S N 0.779 116.310 115.700 -0.280 0.000 2.526 189 S HA 0.566 5.036 4.470 -0.000 0.000 0.220 189 S C 0.743 175.353 174.600 0.016 0.000 1.017 189 S CA 0.111 58.163 58.200 -0.246 0.000 0.930 189 S CB -0.044 63.120 63.200 -0.059 0.000 0.856 189 S HN 0.493 nan 8.310 nan 0.000 0.497 190 A N 1.808 124.648 122.820 0.034 0.000 2.492 190 A HA 0.387 4.707 4.320 -0.000 0.000 0.254 190 A C 0.805 178.367 177.584 -0.037 0.000 1.091 190 A CA -0.277 51.788 52.037 0.048 0.000 0.768 190 A CB 0.070 19.098 19.000 0.047 0.000 1.028 190 A HN 0.544 nan 8.150 nan 0.000 0.498 191 E N 1.014 121.218 120.200 0.007 0.000 2.299 191 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 191 E C 0.380 176.889 176.600 -0.152 0.000 0.998 191 E CA 0.700 57.064 56.400 -0.060 0.000 0.851 191 E CB 0.364 30.076 29.700 0.021 0.000 0.795 191 E HN 0.800 nan 8.360 nan 0.000 0.492 192 E N 0.674 120.805 120.200 -0.116 0.000 2.278 192 E HA 0.301 4.651 4.350 -0.000 0.000 0.272 192 E C -1.734 174.831 176.600 -0.058 0.000 0.890 192 E CA -0.460 55.861 56.400 -0.131 0.000 0.770 192 E CB 1.928 31.625 29.700 -0.005 0.000 1.212 192 E HN -0.172 nan 8.360 nan 0.000 0.415 193 V N 4.802 124.591 119.914 -0.210 0.000 2.448 193 V HA 0.308 4.428 4.120 -0.000 0.000 0.295 193 V C -0.526 175.669 176.094 0.169 0.000 1.025 193 V CA -0.723 61.564 62.300 -0.023 0.000 0.859 193 V CB 1.609 33.224 31.823 -0.346 0.000 0.988 193 V HN 0.684 nan 8.190 nan 0.000 0.431 194 H N 4.895 124.224 119.070 0.431 0.000 2.640 194 H HA 0.271 4.827 4.556 -0.000 0.000 0.297 194 H C -1.402 174.161 175.328 0.392 0.000 1.073 194 H CA -0.315 56.075 56.048 0.569 0.000 1.305 194 H CB 1.346 31.501 29.762 0.654 0.000 1.404 194 H HN 0.579 nan 8.280 nan 0.000 0.459 195 Y N 5.689 126.244 120.300 0.424 0.000 2.587 195 Y HA 0.175 4.725 4.550 -0.000 0.000 0.328 195 Y C -0.740 175.299 175.900 0.231 0.000 0.980 195 Y CA -1.649 56.591 58.100 0.233 0.000 1.272 195 Y CB 0.011 38.628 38.460 0.261 0.000 1.094 195 Y HN 0.448 nan 8.280 nan 0.000 0.503 196 I N 4.139 124.870 120.570 0.269 0.000 2.342 196 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 196 I C 1.128 177.144 176.117 -0.168 0.000 1.010 196 I CA -0.168 61.117 61.300 -0.025 0.000 1.308 196 I CB 0.625 38.431 38.000 -0.322 0.000 1.400 196 I HN 0.848 nan 8.210 nan 0.000 0.488 197 G N 4.528 113.198 108.800 -0.216 0.000 2.204 197 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 197 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 197 G C 0.788 175.511 174.900 -0.294 0.000 1.062 197 G CA 0.071 45.018 45.100 -0.254 0.000 0.798 197 G HN 0.982 nan 8.290 nan 0.000 0.496 198 C N -1.211 117.813 119.300 -0.460 0.000 2.437 198 C HA 0.496 4.956 4.460 -0.000 0.000 0.283 198 C C 2.536 177.263 174.990 -0.439 0.000 1.424 198 C CA 0.694 59.203 59.018 -0.847 0.000 1.782 198 C CB -1.268 25.994 27.740 -0.797 0.000 1.833 198 C HN 2.499 nan 8.230 nan 0.000 0.532 199 G N 2.303 110.951 108.800 -0.253 0.000 2.527 199 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.268 199 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.268 199 G C 0.259 175.075 174.900 -0.140 0.000 1.175 199 G CA 0.862 45.868 45.100 -0.157 0.000 0.962 199 G HN 0.769 nan 8.290 nan 0.000 0.560 200 D N 0.998 121.331 120.400 -0.110 0.000 2.340 200 D HA 0.255 4.895 4.640 -0.000 0.000 0.220 200 D C 1.881 178.117 176.300 -0.107 0.000 1.039 200 D CA 0.825 54.769 54.000 -0.094 0.000 0.866 200 D CB 0.070 40.829 40.800 -0.069 0.000 0.913 200 D HN 1.303 nan 8.370 nan 0.000 0.523 201 L N -1.260 119.882 121.223 -0.135 0.000 5.044 201 L HA -0.316 4.024 4.340 -0.000 0.000 0.412 201 L C 1.937 178.736 176.870 -0.118 0.000 0.971 201 L CA 0.795 55.549 54.840 -0.143 0.000 1.411 201 L CB -1.322 40.654 42.059 -0.138 0.000 1.884 201 L HN 0.171 nan 8.230 nan 0.000 0.631 202 R N 0.538 120.981 120.500 -0.094 0.000 2.091 202 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 202 R C 1.796 178.052 176.300 -0.074 0.000 1.136 202 R CA 2.271 58.322 56.100 -0.082 0.000 0.959 202 R CB -0.138 30.124 30.300 -0.062 0.000 0.856 202 R HN 0.415 nan 8.270 nan 0.000 0.437 203 T N 1.541 116.062 114.554 -0.054 0.000 2.684 203 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 203 T C 1.641 176.323 174.700 -0.030 0.000 1.036 203 T CA 1.454 63.543 62.100 -0.020 0.000 1.148 203 T CB -0.241 68.640 68.868 0.021 0.000 0.863 203 T HN 0.153 nan 8.240 nan 0.000 0.436 204 L N 0.728 121.907 121.223 -0.072 0.000 2.083 204 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 204 L C 2.120 178.856 176.870 -0.224 0.000 1.083 204 L CA 1.650 56.400 54.840 -0.149 0.000 0.752 204 L CB -0.564 41.368 42.059 -0.210 0.000 0.899 204 L HN 0.192 nan 8.230 nan 0.000 0.433 205 M N -1.437 118.035 119.600 -0.215 0.000 2.254 205 M HA -0.094 4.386 4.480 -0.000 0.000 0.265 205 M C 2.077 178.231 176.300 -0.243 0.000 1.066 205 M CA 1.101 56.232 55.300 -0.281 0.000 1.123 205 M CB -1.034 31.446 32.600 -0.200 0.000 1.388 205 M HN 0.324 nan 8.290 nan 0.000 0.425 206 Q N -0.843 118.874 119.800 -0.139 0.000 2.172 206 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 206 Q C 1.987 177.940 176.000 -0.079 0.000 0.964 206 Q CA 1.148 56.891 55.803 -0.099 0.000 0.855 206 Q CB -0.571 28.138 28.738 -0.049 0.000 0.918 206 Q HN 0.468 nan 8.270 nan 0.000 0.444 207 F N 2.048 121.873 119.950 -0.209 0.000 2.113 207 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 207 F C 2.387 178.039 175.800 -0.247 0.000 1.103 207 F CA 1.554 59.454 58.000 -0.167 0.000 1.248 207 F CB -0.077 38.858 39.000 -0.108 0.000 0.999 207 F HN -0.042 nan 8.300 nan 0.000 0.475 208 K N 0.489 120.581 120.400 -0.513 0.000 2.044 208 K HA -0.315 4.005 4.320 -0.000 0.000 0.210 208 K C 2.293 178.624 176.600 -0.449 0.000 1.049 208 K CA 2.109 57.882 56.287 -0.858 0.000 0.927 208 K CB -0.281 31.364 32.500 -1.424 0.000 0.713 208 K HN 0.268 nan 8.250 nan 0.000 0.443 209 K N 0.381 120.577 120.400 -0.338 0.000 2.031 209 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 209 K C 2.098 178.578 176.600 -0.200 0.000 1.049 209 K CA 1.228 57.380 56.287 -0.225 0.000 0.939 209 K CB 0.085 32.481 32.500 -0.174 0.000 0.717 209 K HN 0.114 nan 8.250 nan 0.000 0.438 210 R N -0.474 119.894 120.500 -0.219 0.000 2.119 210 R HA 0.091 4.431 4.340 -0.000 0.000 0.222 210 R C 0.199 176.338 176.300 -0.269 0.000 1.088 210 R CA 0.898 56.877 56.100 -0.203 0.000 0.984 210 R CB 0.336 30.540 30.300 -0.160 0.000 0.884 210 R HN -0.007 nan 8.270 nan 0.000 0.447 211 S N 0.796 116.242 115.700 -0.424 0.000 2.128 211 S HA 0.234 4.704 4.470 -0.000 0.000 0.157 211 S C -2.220 172.192 174.600 -0.314 0.000 1.650 211 S CA -1.031 56.895 58.200 -0.457 0.000 1.269 211 S CB 1.570 64.268 63.200 -0.837 0.000 1.227 211 S HN -0.043 nan 8.310 nan 0.000 0.405 212 P HA -0.150 nan 4.420 nan 0.000 0.216 212 P C 1.845 179.180 177.300 0.059 0.000 1.157 212 P CA 1.472 64.549 63.100 -0.038 0.000 0.880 212 P CB -0.076 31.598 31.700 -0.043 0.000 0.791 213 G N 1.132 109.932 108.800 0.000 0.000 2.587 213 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 213 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 213 G C 1.493 176.433 174.900 0.066 0.000 1.240 213 G CA 1.458 46.570 45.100 0.019 0.000 0.794 213 G HN 0.340 nan 8.290 nan 0.000 0.580 214 R N -0.604 119.940 120.500 0.073 0.000 2.189 214 R HA 0.091 4.431 4.340 -0.000 0.000 0.223 214 R C 2.298 178.813 176.300 0.358 0.000 1.092 214 R CA 1.178 57.377 56.100 0.165 0.000 0.989 214 R CB -0.714 29.715 30.300 0.215 0.000 0.876 214 R HN 0.387 nan 8.270 nan 0.000 0.457 215 F N 2.435 122.532 119.950 0.245 0.000 2.051 215 F HA -0.073 4.454 4.527 -0.000 0.000 0.296 215 F C 2.507 178.545 175.800 0.397 0.000 1.122 215 F CA 1.370 59.656 58.000 0.476 0.000 1.201 215 F CB -0.126 39.002 39.000 0.214 0.000 0.978 215 F HN -0.205 nan 8.300 nan 0.000 0.472 216 R N 0.114 120.745 120.500 0.218 0.000 2.105 216 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 216 R C 2.135 178.413 176.300 -0.036 0.000 1.135 216 R CA 1.581 57.714 56.100 0.054 0.000 0.967 216 R CB -0.317 30.047 30.300 0.106 0.000 0.861 216 R HN 0.343 nan 8.270 nan 0.000 0.442 217 R N 0.021 120.510 120.500 -0.017 0.000 2.323 217 R HA 0.068 4.408 4.340 -0.000 0.000 0.198 217 R C -0.027 176.190 176.300 -0.140 0.000 0.988 217 R CA 0.229 56.288 56.100 -0.069 0.000 1.041 217 R CB 0.350 30.613 30.300 -0.062 0.000 0.926 217 R HN -0.040 nan 8.270 nan 0.000 0.476 218 V N 1.588 121.377 119.914 -0.210 0.000 2.555 218 V HA 0.192 4.312 4.120 -0.000 0.000 0.302 218 V C -0.651 175.101 176.094 -0.569 0.000 1.038 218 V CA -1.054 60.969 62.300 -0.461 0.000 0.887 218 V CB 2.037 33.414 31.823 -0.743 0.000 0.991 218 V HN -0.010 nan 8.190 nan 0.000 0.434 219 L N 5.203 126.124 121.223 -0.503 0.000 2.260 219 L HA 0.496 4.836 4.340 -0.000 0.000 0.289 219 L C -1.175 175.391 176.870 -0.508 0.000 1.057 219 L CA -0.073 54.524 54.840 -0.405 0.000 0.811 219 L CB 0.569 42.472 42.059 -0.260 0.000 1.184 219 L HN 0.636 nan 8.230 nan 0.000 0.429 220 W N 5.226 126.356 121.300 -0.283 0.000 2.283 220 W HA 0.365 5.025 4.660 -0.000 0.000 0.317 220 W C -0.028 176.316 176.519 -0.291 0.000 1.042 220 W CA -0.435 56.794 57.345 -0.194 0.000 1.348 220 W CB 0.451 29.838 29.460 -0.123 0.000 1.216 220 W HN 0.403 nan 8.180 nan 0.000 0.404 221 H N 3.553 122.623 119.070 -0.002 0.000 2.705 221 H HA 0.319 4.875 4.556 -0.000 0.000 0.291 221 H C -0.119 175.204 175.328 -0.007 0.000 1.085 221 H CA -0.298 55.688 56.048 -0.103 0.000 1.357 221 H CB 0.966 30.576 29.762 -0.254 0.000 1.419 221 H HN 0.284 nan 8.280 nan 0.000 0.462 222 V N 2.712 122.604 119.914 -0.036 0.000 2.417 222 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 222 V C -1.102 174.925 176.094 -0.112 0.000 1.024 222 V CA -0.869 61.438 62.300 0.012 0.000 0.861 222 V CB 1.080 32.880 31.823 -0.037 0.000 0.985 222 V HN 0.376 nan 8.190 nan 0.000 0.436 223 Y N 3.205 123.558 120.300 0.089 0.000 2.328 223 Y HA 0.847 5.397 4.550 -0.000 0.000 0.336 223 Y C 0.006 175.880 175.900 -0.042 0.000 0.960 223 Y CA -0.712 57.437 58.100 0.082 0.000 1.134 223 Y CB 1.778 40.299 38.460 0.100 0.000 1.166 223 Y HN 0.858 nan 8.280 nan 0.000 0.464 224 D N 4.123 124.582 120.400 0.097 0.000 2.625 224 D HA 0.120 4.760 4.640 -0.000 0.000 0.203 224 D C -2.565 173.744 176.300 0.014 0.000 1.230 224 D CA -1.363 52.643 54.000 0.010 0.000 0.784 224 D CB 2.747 43.506 40.800 -0.068 0.000 1.936 224 D HN 0.126 nan 8.370 nan 0.000 0.522 225 P HA -0.108 nan 4.420 nan 0.000 0.218 225 P C 1.292 178.590 177.300 -0.004 0.000 1.152 225 P CA 1.376 64.486 63.100 0.016 0.000 0.857 225 P CB 0.018 31.726 31.700 0.014 0.000 0.787 226 I N -5.948 114.610 120.570 -0.021 0.000 3.891 226 I HA 0.437 4.607 4.170 -0.000 0.000 0.331 226 I C 0.432 176.521 176.117 -0.047 0.000 1.406 226 I CA -0.762 60.520 61.300 -0.031 0.000 1.139 226 I CB -0.242 37.739 38.000 -0.032 0.000 1.056 226 I HN -0.274 nan 8.210 nan 0.000 0.399 227 A N 3.626 126.414 122.820 -0.053 0.000 2.492 227 A HA 0.507 4.827 4.320 -0.000 0.000 0.254 227 A C -2.016 175.528 177.584 -0.067 0.000 1.091 227 A CA -0.906 51.086 52.037 -0.074 0.000 0.768 227 A CB -0.503 18.445 19.000 -0.087 0.000 1.028 227 A HN 0.315 nan 8.150 nan 0.000 0.498 228 P HA 0.194 nan 4.420 nan 0.000 0.279 228 P C -0.230 177.028 177.300 -0.070 0.000 1.282 228 P CA -0.525 62.538 63.100 -0.063 0.000 0.788 228 P CB 0.541 32.204 31.700 -0.062 0.000 1.139 229 E N -1.037 119.127 120.200 -0.060 0.000 2.415 229 E HA 0.149 4.499 4.350 -0.000 0.000 0.262 229 E C -0.663 175.897 176.600 -0.066 0.000 1.038 229 E CA 0.204 56.566 56.400 -0.063 0.000 0.921 229 E CB 0.293 29.963 29.700 -0.049 0.000 0.950 229 E HN 0.322 nan 8.360 nan 0.000 0.438 230 C N 3.145 122.404 119.300 -0.069 0.000 2.478 230 C HA 0.173 4.633 4.460 -0.000 0.000 0.334 230 C C 1.343 176.306 174.990 -0.044 0.000 1.106 230 C CA -0.338 58.646 59.018 -0.058 0.000 1.363 230 C CB -0.431 27.271 27.740 -0.063 0.000 1.941 230 C HN 0.855 nan 8.230 nan 0.000 0.436 231 S N 2.062 117.742 115.700 -0.033 0.000 2.547 231 S HA -0.028 4.442 4.470 -0.000 0.000 0.235 231 S C 0.249 174.846 174.600 -0.006 0.000 0.980 231 S CA 0.567 58.753 58.200 -0.023 0.000 0.941 231 S CB -0.321 62.866 63.200 -0.022 0.000 0.763 231 S HN 0.841 nan 8.310 nan 0.000 0.532 232 D N 3.931 124.339 120.400 0.014 0.000 2.401 232 D HA 0.134 4.774 4.640 -0.000 0.000 0.254 232 D C -1.266 175.049 176.300 0.025 0.000 1.192 232 D CA -1.463 52.571 54.000 0.058 0.000 0.885 232 D CB 1.507 42.402 40.800 0.158 0.000 1.147 232 D HN 0.205 nan 8.370 nan 0.000 0.478 233 P HA -0.140 nan 4.420 nan 0.000 0.218 233 P C 0.713 177.990 177.300 -0.039 0.000 1.149 233 P CA 0.940 64.031 63.100 -0.016 0.000 0.817 233 P CB 0.266 31.961 31.700 -0.010 0.000 0.785 234 N N -0.196 118.487 118.700 -0.029 0.000 2.322 234 N HA 0.024 4.764 4.740 -0.000 0.000 0.194 234 N C -0.258 175.238 175.510 -0.025 0.000 1.126 234 N CA -0.001 53.012 53.050 -0.063 0.000 0.845 234 N CB -0.344 38.089 38.487 -0.090 0.000 0.976 234 N HN -0.025 nan 8.380 nan 0.000 0.475 235 V N 1.965 121.869 119.914 -0.016 0.000 2.313 235 V HA 0.374 4.494 4.120 -0.000 0.000 0.278 235 V C 0.091 176.102 176.094 -0.137 0.000 1.017 235 V CA -0.694 61.593 62.300 -0.021 0.000 0.823 235 V CB 0.987 32.822 31.823 0.019 0.000 1.010 235 V HN 0.079 nan 8.190 nan 0.000 0.443 236 I N 5.349 125.767 120.570 -0.253 0.000 2.304 236 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 236 I C -0.242 175.558 176.117 -0.528 0.000 1.018 236 I CA -0.432 60.643 61.300 -0.374 0.000 1.260 236 I CB 1.647 39.387 38.000 -0.435 0.000 1.390 236 I HN 0.279 nan 8.210 nan 0.000 0.475 237 V N 6.531 126.131 119.914 -0.524 0.000 2.394 237 V HA 0.327 4.447 4.120 -0.000 0.000 0.282 237 V C -0.179 175.533 176.094 -0.637 0.000 1.031 237 V CA -0.577 61.441 62.300 -0.470 0.000 0.881 237 V CB 0.998 32.675 31.823 -0.243 0.000 0.982 237 V HN 0.552 nan 8.190 nan 0.000 0.451 238 H N 3.763 122.689 119.070 -0.242 0.000 2.539 238 H HA 0.351 4.907 4.556 -0.000 0.000 0.332 238 H C -0.287 175.007 175.328 -0.056 0.000 1.031 238 H CA -0.471 55.466 56.048 -0.184 0.000 1.206 238 H CB 1.320 30.886 29.762 -0.328 0.000 1.446 238 H HN 0.636 nan 8.280 nan 0.000 0.496 239 N N 2.786 121.538 118.700 0.086 0.000 2.455 239 N HA 0.154 4.894 4.740 -0.000 0.000 0.258 239 N C -0.397 175.179 175.510 0.109 0.000 1.158 239 N CA -0.105 52.986 53.050 0.069 0.000 0.893 239 N CB 0.306 38.811 38.487 0.031 0.000 1.173 239 N HN 0.334 nan 8.380 nan 0.000 0.503 240 I N 0.869 121.546 120.570 0.179 0.000 2.428 240 I HA 0.217 4.387 4.170 -0.000 0.000 0.296 240 I C 0.069 176.282 176.117 0.160 0.000 0.985 240 I CA -0.536 60.877 61.300 0.188 0.000 1.260 240 I CB 1.415 39.575 38.000 0.267 0.000 1.389 240 I HN 0.127 nan 8.210 nan 0.000 0.484 241 M N 6.467 126.135 119.600 0.113 0.000 2.144 241 M HA 0.435 4.915 4.480 -0.000 0.000 0.356 241 M C -1.319 175.038 176.300 0.096 0.000 1.217 241 M CA -0.430 54.919 55.300 0.083 0.000 1.087 241 M CB 0.734 33.371 32.600 0.062 0.000 1.609 241 M HN 0.275 nan 8.290 nan 0.000 0.467 242 V N 6.067 126.029 119.914 0.081 0.000 2.383 242 V HA 0.235 4.355 4.120 -0.000 0.000 0.275 242 V C 0.043 176.248 176.094 0.185 0.000 1.036 242 V CA -0.268 62.101 62.300 0.114 0.000 0.889 242 V CB 0.911 32.778 31.823 0.073 0.000 0.985 242 V HN 0.995 nan 8.190 nan 0.000 0.459 243 D N 1.951 122.445 120.400 0.157 0.000 2.489 243 D HA 0.093 4.733 4.640 -0.000 0.000 0.231 243 D C 0.596 176.967 176.300 0.119 0.000 1.114 243 D CA 0.407 54.500 54.000 0.155 0.000 0.842 243 D CB 0.677 41.544 40.800 0.112 0.000 1.133 243 D HN 0.582 nan 8.370 nan 0.000 0.506 244 S N -0.582 115.178 115.700 0.100 0.000 2.618 244 S HA 0.361 4.831 4.470 -0.000 0.000 0.277 244 S C 0.807 175.442 174.600 0.058 0.000 1.138 244 S CA -0.677 57.559 58.200 0.061 0.000 0.844 244 S CB 2.436 65.661 63.200 0.042 0.000 1.127 244 S HN 0.073 nan 8.310 nan 0.000 0.474 245 K N 1.019 121.434 120.400 0.026 0.000 2.211 245 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 245 K C 1.431 178.055 176.600 0.040 0.000 1.047 245 K CA 1.369 57.670 56.287 0.023 0.000 0.935 245 K CB -0.456 32.040 32.500 -0.007 0.000 0.728 245 K HN 0.539 nan 8.250 nan 0.000 0.452 246 K N 1.018 121.438 120.400 0.033 0.000 2.113 246 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 246 K C 1.508 178.120 176.600 0.021 0.000 1.047 246 K CA 1.871 58.175 56.287 0.027 0.000 0.928 246 K CB -0.166 32.348 32.500 0.023 0.000 0.716 246 K HN 0.304 nan 8.250 nan 0.000 0.446 247 D N 0.151 120.577 120.400 0.042 0.000 2.350 247 D HA -0.080 4.560 4.640 -0.000 0.000 0.216 247 D C 1.589 177.947 176.300 0.098 0.000 0.968 247 D CA 1.022 55.061 54.000 0.066 0.000 0.894 247 D CB 0.143 40.996 40.800 0.089 0.000 0.909 247 D HN 0.329 nan 8.370 nan 0.000 0.520 248 I N -0.491 120.117 120.570 0.063 0.000 3.718 248 I HA -0.087 4.083 4.170 -0.000 0.000 0.297 248 I C 1.825 177.970 176.117 0.048 0.000 1.220 248 I CA -0.147 61.215 61.300 0.103 0.000 1.381 248 I CB 0.306 38.351 38.000 0.075 0.000 1.238 248 I HN -0.135 nan 8.210 nan 0.000 0.448 249 L N 2.231 123.483 121.223 0.048 0.000 2.043 249 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 249 L C 2.539 179.403 176.870 -0.009 0.000 1.075 249 L CA 2.104 56.999 54.840 0.091 0.000 0.752 249 L CB -1.174 40.976 42.059 0.151 0.000 0.891 249 L HN 0.425 nan 8.230 nan 0.000 0.432 250 K N -1.691 118.638 120.400 -0.119 0.000 2.362 250 K HA -0.134 4.186 4.320 -0.000 0.000 0.200 250 K C 0.785 177.176 176.600 -0.348 0.000 1.046 250 K CA 1.135 57.278 56.287 -0.240 0.000 0.952 250 K CB -0.259 32.055 32.500 -0.309 0.000 0.753 250 K HN 0.389 nan 8.250 nan 0.000 0.466 251 H N 0.355 119.396 119.070 -0.048 0.000 2.550 251 H HA 0.350 4.906 4.556 -0.000 0.000 0.304 251 H C -0.311 174.915 175.328 -0.170 0.000 1.086 251 H CA -0.061 55.913 56.048 -0.124 0.000 1.089 251 H CB -0.131 29.466 29.762 -0.275 0.000 1.528 251 H HN 0.180 nan 8.280 nan 0.000 0.539 252 M N 0.936 120.438 119.600 -0.163 0.000 2.535 252 M HA 0.196 4.676 4.480 -0.000 0.000 0.314 252 M C -0.225 175.773 176.300 -0.503 0.000 1.153 252 M CA -0.883 54.197 55.300 -0.366 0.000 0.924 252 M CB 2.442 34.616 32.600 -0.710 0.000 1.710 252 M HN -0.039 nan 8.290 nan 0.000 0.451 253 N N 1.538 120.001 118.700 -0.395 0.000 2.501 253 N HA 0.340 5.080 4.740 -0.000 0.000 0.245 253 N C -0.634 174.682 175.510 -0.322 0.000 0.974 253 N CA -0.157 52.720 53.050 -0.289 0.000 0.941 253 N CB 0.411 38.835 38.487 -0.105 0.000 1.122 253 N HN 0.500 nan 8.380 nan 0.000 0.507 254 F N 1.816 121.753 119.950 -0.022 0.000 2.416 254 F HA 0.152 4.679 4.527 -0.000 0.000 0.296 254 F C 1.671 177.443 175.800 -0.046 0.000 1.099 254 F CA 0.179 58.154 58.000 -0.043 0.000 1.427 254 F CB 0.189 39.163 39.000 -0.043 0.000 1.079 254 F HN 0.379 nan 8.300 nan 0.000 0.536 255 L N 0.061 121.356 121.223 0.119 0.000 2.633 255 L HA -0.066 4.274 4.340 -0.000 0.000 0.235 255 L C 0.570 177.445 176.870 0.008 0.000 1.163 255 L CA 0.934 55.807 54.840 0.055 0.000 0.859 255 L CB -0.400 41.683 42.059 0.041 0.000 0.973 255 L HN -0.016 nan 8.230 nan 0.000 0.451 256 K N 0.202 120.596 120.400 -0.010 0.000 2.427 256 K HA 0.328 4.648 4.320 -0.000 0.000 0.252 256 K C -0.406 176.145 176.600 -0.081 0.000 0.931 256 K CA -0.775 55.483 56.287 -0.049 0.000 0.793 256 K CB 1.562 34.034 32.500 -0.047 0.000 1.211 256 K HN -0.159 nan 8.250 nan 0.000 0.426 257 R N 2.878 123.290 120.500 -0.146 0.000 2.442 257 R HA 0.244 4.584 4.340 -0.000 0.000 0.291 257 R C -0.777 175.371 176.300 -0.254 0.000 1.069 257 R CA -0.156 55.776 56.100 -0.279 0.000 1.022 257 R CB 0.369 30.390 30.300 -0.465 0.000 0.976 257 R HN 0.453 nan 8.270 nan 0.000 0.443 258 V N 0.341 120.140 119.914 -0.192 0.000 3.120 258 V HA 0.352 4.472 4.120 -0.000 0.000 0.303 258 V C -0.959 175.197 176.094 0.104 0.000 1.238 258 V CA -1.176 61.105 62.300 -0.033 0.000 1.008 258 V CB 1.801 33.611 31.823 -0.022 0.000 1.064 258 V HN 0.831 nan 8.190 nan 0.000 0.434 259 E N 2.436 122.733 120.200 0.162 0.000 2.152 259 E HA 0.482 4.832 4.350 -0.000 0.000 0.285 259 E C -0.487 176.160 176.600 0.078 0.000 1.043 259 E CA -0.634 55.830 56.400 0.106 0.000 0.839 259 E CB 0.897 30.615 29.700 0.030 0.000 1.069 259 E HN 0.670 nan 8.360 nan 0.000 0.399 260 R N 3.407 123.931 120.500 0.041 0.000 2.532 260 R HA 0.465 4.805 4.340 -0.000 0.000 0.295 260 R C -0.906 175.614 176.300 0.366 0.000 0.968 260 R CA -1.013 55.123 56.100 0.060 0.000 0.916 260 R CB 1.355 31.425 30.300 -0.384 0.000 1.124 260 R HN 0.409 nan 8.270 nan 0.000 0.463 261 L N 2.591 124.113 121.223 0.499 0.000 2.346 261 L HA 0.512 4.852 4.340 -0.000 0.000 0.276 261 L C -1.488 175.748 176.870 0.610 0.000 1.006 261 L CA -0.510 54.657 54.840 0.545 0.000 0.817 261 L CB 1.426 43.661 42.059 0.293 0.000 1.272 261 L HN 0.553 nan 8.230 nan 0.000 0.421 262 F N 6.141 126.164 119.950 0.122 0.000 2.385 262 F HA 0.662 5.189 4.527 -0.000 0.000 0.360 262 F C -0.754 175.055 175.800 0.015 0.000 1.122 262 F CA -0.522 57.357 58.000 -0.202 0.000 1.090 262 F CB 0.765 39.193 39.000 -0.953 0.000 1.150 262 F HN 0.367 nan 8.300 nan 0.000 0.472 263 I N 6.721 127.117 120.570 -0.290 0.000 2.389 263 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 263 I C -1.325 174.686 176.117 -0.178 0.000 0.999 263 I CA -0.605 60.588 61.300 -0.178 0.000 1.129 263 I CB 1.321 39.147 38.000 -0.291 0.000 1.288 263 I HN 0.625 nan 8.210 nan 0.000 0.444 264 W N 7.623 128.806 121.300 -0.195 0.000 2.475 264 W HA 0.326 4.986 4.660 -0.000 0.000 0.320 264 W C -0.974 175.587 176.519 0.071 0.000 1.022 264 W CA -0.345 56.953 57.345 -0.079 0.000 1.240 264 W CB 1.746 31.217 29.460 0.018 0.000 1.328 264 W HN 0.515 nan 8.180 nan 0.000 0.439 265 D N 4.479 124.821 120.400 -0.097 0.000 2.740 265 D HA 0.120 4.760 4.640 -0.000 0.000 0.301 265 D C -0.437 175.743 176.300 -0.200 0.000 1.408 265 D CA 0.094 54.090 54.000 -0.007 0.000 0.808 265 D CB 0.529 41.432 40.800 0.172 0.000 1.128 265 D HN -0.053 nan 8.370 nan 0.000 0.465 266 V N 1.506 121.060 119.914 -0.601 0.000 2.529 266 V HA 0.387 4.506 4.120 -0.000 0.000 0.292 266 V C 0.541 176.568 176.094 -0.111 0.000 1.028 266 V CA 0.262 62.263 62.300 -0.499 0.000 1.074 266 V CB 0.762 32.012 31.823 -0.956 0.000 0.958 266 V HN 0.448 nan 8.190 nan 0.000 0.481 267 S N 3.443 119.103 115.700 -0.066 0.000 2.565 267 S HA 0.782 5.252 4.470 -0.000 0.000 0.269 267 S C -0.821 173.783 174.600 0.006 0.000 1.153 267 S CA -0.697 57.511 58.200 0.013 0.000 0.835 267 S CB 2.284 65.502 63.200 0.031 0.000 1.122 267 S HN 0.541 nan 8.310 nan 0.000 0.462 268 S N 0.372 116.092 115.700 0.033 0.000 2.851 268 S HA 0.603 5.073 4.470 -0.000 0.000 0.317 268 S C -1.022 173.597 174.600 0.032 0.000 1.144 268 S CA -0.836 57.381 58.200 0.028 0.000 0.862 268 S CB 1.161 64.385 63.200 0.041 0.000 1.259 268 S HN 0.826 nan 8.310 nan 0.000 0.564 278 W N 2.708 124.008 121.300 -0.001 0.000 2.961 278 W HA 0.558 5.218 4.660 -0.000 0.000 0.368 278 W C -0.477 176.044 176.519 0.004 0.000 1.213 278 W CA -0.952 56.390 57.345 -0.005 0.000 1.173 278 W CB 0.612 30.061 29.460 -0.018 0.000 1.487 278 W HN 0.175 nan 8.180 nan 0.000 0.585 279 E N 1.093 121.543 120.200 0.417 0.000 3.351 279 E HA 0.068 4.418 4.350 -0.000 0.000 0.220 279 E C 1.247 177.935 176.600 0.146 0.000 1.150 279 E CA -0.055 56.503 56.400 0.264 0.000 1.359 279 E CB 0.906 30.707 29.700 0.170 0.000 1.365 279 E HN 0.490 nan 8.360 nan 0.000 0.434 280 T N -2.700 111.901 114.554 0.078 0.000 2.881 280 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 280 T C 1.891 176.669 174.700 0.130 0.000 1.068 280 T CA 1.609 63.664 62.100 -0.076 0.000 1.131 280 T CB -0.366 68.260 68.868 -0.403 0.000 0.871 280 T HN 0.088 nan 8.240 nan 0.000 0.479 281 T N 2.125 116.809 114.554 0.216 0.000 2.624 281 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 281 T C 2.103 176.905 174.700 0.170 0.000 1.041 281 T CA 1.577 63.794 62.100 0.195 0.000 1.159 281 T CB -0.367 68.616 68.868 0.191 0.000 0.863 281 T HN 0.444 nan 8.240 nan 0.000 0.434 282 R N -0.329 120.267 120.500 0.160 0.000 2.127 282 R HA -0.027 4.313 4.340 -0.000 0.000 0.238 282 R C 2.245 178.619 176.300 0.123 0.000 1.134 282 R CA 1.262 57.442 56.100 0.134 0.000 0.975 282 R CB -0.491 29.876 30.300 0.113 0.000 0.865 282 R HN 0.376 nan 8.270 nan 0.000 0.447 283 F N 0.889 120.824 119.950 -0.025 0.000 2.128 283 F HA -0.072 4.455 4.527 -0.000 0.000 0.295 283 F C 2.304 178.088 175.800 -0.026 0.000 1.100 283 F CA 1.370 59.324 58.000 -0.076 0.000 1.260 283 F CB -0.184 38.733 39.000 -0.139 0.000 1.009 283 F HN -0.042 nan 8.300 nan 0.000 0.476 284 A N -0.360 122.574 122.820 0.191 0.000 2.067 284 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 284 A C 1.998 179.627 177.584 0.074 0.000 1.158 284 A CA 1.598 53.705 52.037 0.117 0.000 0.661 284 A CB -0.673 18.410 19.000 0.140 0.000 0.801 284 A HN 0.544 nan 8.150 nan 0.000 0.452 285 E N -0.028 120.246 120.200 0.123 0.000 2.051 285 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 285 E C 1.295 178.021 176.600 0.211 0.000 0.979 285 E CA 1.024 57.572 56.400 0.247 0.000 0.803 285 E CB -0.150 29.729 29.700 0.299 0.000 0.761 285 E HN 0.486 nan 8.360 nan 0.000 0.451 286 D N 0.517 120.953 120.400 0.060 0.000 2.117 286 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 286 D C 1.956 178.109 176.300 -0.244 0.000 0.987 286 D CA 0.819 54.786 54.000 -0.056 0.000 0.829 286 D CB -0.091 40.606 40.800 -0.173 0.000 0.961 286 D HN -0.071 nan 8.370 nan 0.000 0.460 287 R N 0.338 120.661 120.500 -0.295 0.000 2.120 287 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 287 R C 2.178 178.317 176.300 -0.267 0.000 1.123 287 R CA 0.241 56.176 56.100 -0.274 0.000 0.975 287 R CB -1.117 29.048 30.300 -0.224 0.000 0.866 287 R HN 0.249 nan 8.270 nan 0.000 0.446 288 L N -0.058 121.005 121.223 -0.266 0.000 2.027 288 L HA 0.049 4.389 4.340 -0.000 0.000 0.206 288 L C 2.034 178.487 176.870 -0.695 0.000 1.074 288 L CA 2.228 56.877 54.840 -0.318 0.000 0.745 288 L CB -1.197 40.792 42.059 -0.117 0.000 0.898 288 L HN 0.241 nan 8.230 nan 0.000 0.433 289 G N -1.099 106.890 108.800 -1.353 0.000 2.440 289 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 289 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 289 G C 1.436 175.886 174.900 -0.750 0.000 1.154 289 G CA 0.948 44.873 45.100 -1.958 0.000 0.767 289 G HN 0.536 nan 8.290 nan 0.000 0.552 290 E N 0.301 120.190 120.200 -0.518 0.000 2.051 290 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 290 E C 2.478 178.914 176.600 -0.273 0.000 0.991 290 E CA 1.155 57.375 56.400 -0.300 0.000 0.799 290 E CB -0.122 29.449 29.700 -0.215 0.000 0.748 290 E HN 0.568 nan 8.360 nan 0.000 0.449 291 E N 0.635 120.669 120.200 -0.275 0.000 2.051 291 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 291 E C 2.194 178.675 176.600 -0.198 0.000 0.991 291 E CA 0.886 57.170 56.400 -0.192 0.000 0.799 291 E CB -0.127 29.470 29.700 -0.171 0.000 0.748 291 E HN 0.251 nan 8.360 nan 0.000 0.449 292 I N 1.116 121.505 120.570 -0.302 0.000 2.208 292 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 292 I C 2.531 178.334 176.117 -0.524 0.000 1.097 292 I CA 1.076 62.179 61.300 -0.327 0.000 1.363 292 I CB -0.312 37.529 38.000 -0.265 0.000 1.051 292 I HN 0.116 nan 8.210 nan 0.000 0.413 293 A N -0.067 122.309 122.820 -0.740 0.000 1.877 293 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 293 A C 2.275 179.622 177.584 -0.395 0.000 1.186 293 A CA 1.501 53.015 52.037 -0.872 0.000 0.620 293 A CB -1.086 17.461 19.000 -0.754 0.000 0.822 293 A HN 0.480 nan 8.150 nan 0.000 0.443 294 Y N 0.913 121.009 120.300 -0.340 0.000 2.165 294 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 294 Y C 2.332 178.129 175.900 -0.172 0.000 1.155 294 Y CA 2.300 60.269 58.100 -0.218 0.000 1.164 294 Y CB -0.242 38.110 38.460 -0.180 0.000 0.978 294 Y HN 0.495 nan 8.280 nan 0.000 0.513 295 E N -0.575 119.587 120.200 -0.063 0.000 2.118 295 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 295 E C 1.724 178.249 176.600 -0.125 0.000 0.992 295 E CA 1.447 57.796 56.400 -0.085 0.000 0.804 295 E CB -0.220 29.441 29.700 -0.065 0.000 0.741 295 E HN 0.532 nan 8.360 nan 0.000 0.458 296 M N 0.642 120.155 119.600 -0.145 0.000 2.453 296 M HA 0.116 4.596 4.480 -0.000 0.000 0.239 296 M C 0.679 176.986 176.300 0.012 0.000 1.151 296 M CA -0.319 54.960 55.300 -0.035 0.000 0.989 296 M CB 0.784 33.396 32.600 0.020 0.000 1.548 296 M HN -0.047 nan 8.290 nan 0.000 0.479 297 G N -0.279 108.438 108.800 -0.137 0.000 2.353 297 G HA2 0.351 4.311 3.960 -0.000 0.000 0.239 297 G HA3 0.351 4.311 3.960 -0.000 0.000 0.239 297 G C 0.906 175.750 174.900 -0.092 0.000 1.295 297 G CA 0.502 45.519 45.100 -0.138 0.000 0.884 297 G HN 0.589 nan 8.290 nan 0.000 0.537 298 G N 0.982 109.758 108.800 -0.039 0.000 2.349 298 G HA2 0.002 3.962 3.960 -0.000 0.000 0.213 298 G HA3 0.002 3.962 3.960 -0.000 0.000 0.213 298 G C 1.313 176.213 174.900 -0.001 0.000 1.044 298 G CA 0.924 46.004 45.100 -0.033 0.000 0.633 298 G HN 1.758 nan 8.290 nan 0.000 0.506 299 A N -0.656 122.176 122.820 0.021 0.000 2.169 299 A HA 0.758 5.078 4.320 -0.000 0.000 0.210 299 A C 0.427 177.873 177.584 -0.230 0.000 1.168 299 A CA 0.604 52.612 52.037 -0.048 0.000 0.813 299 A CB 0.141 19.136 19.000 -0.008 0.000 0.861 299 A HN 0.580 nan 8.150 nan 0.000 0.481 300 F N -0.346 119.615 119.950 0.019 0.000 2.507 300 F HA 0.300 4.827 4.527 -0.000 0.000 0.325 300 F C 1.604 177.419 175.800 0.025 0.000 1.116 300 F CA -0.011 58.015 58.000 0.043 0.000 0.930 300 F CB 2.085 41.104 39.000 0.031 0.000 1.146 300 F HN 0.110 nan 8.300 nan 0.000 0.447 301 S N 0.916 116.751 115.700 0.225 0.000 2.402 301 S HA 0.015 4.485 4.470 -0.000 0.000 0.229 301 S C 0.390 175.081 174.600 0.153 0.000 1.021 301 S CA 0.884 59.173 58.200 0.149 0.000 0.974 301 S CB -0.329 62.949 63.200 0.130 0.000 0.800 301 S HN 0.631 nan 8.310 nan 0.000 0.484 302 S N -0.725 115.104 115.700 0.216 0.000 2.567 302 S HA 0.794 5.264 4.470 -0.000 0.000 0.270 302 S C -1.087 173.600 174.600 0.145 0.000 1.152 302 S CA -0.605 57.669 58.200 0.124 0.000 0.835 302 S CB 1.266 64.649 63.200 0.304 0.000 1.115 302 S HN 1.083 nan 8.310 nan 0.000 0.459 303 A N 0.555 123.383 122.820 0.013 0.000 2.449 303 A HA 0.854 5.174 4.320 -0.000 0.000 0.302 303 A C -1.746 175.942 177.584 0.174 0.000 1.048 303 A CA -0.671 51.440 52.037 0.123 0.000 0.708 303 A CB 1.596 20.626 19.000 0.050 0.000 1.274 303 A HN 1.093 nan 8.150 nan 0.000 0.410 304 L N 3.493 124.872 121.223 0.260 0.000 2.342 304 L HA 0.585 4.925 4.340 -0.000 0.000 0.276 304 L C -1.133 175.897 176.870 0.266 0.000 0.997 304 L CA -0.291 54.727 54.840 0.295 0.000 0.838 304 L CB 1.136 43.387 42.059 0.321 0.000 1.224 304 L HN 0.574 nan 8.230 nan 0.000 0.416 305 I N 3.682 124.403 120.570 0.252 0.000 2.412 305 I HA 0.340 4.510 4.170 -0.000 0.000 0.296 305 I C 0.439 176.743 176.117 0.311 0.000 0.987 305 I CA -0.843 60.628 61.300 0.286 0.000 1.180 305 I CB 1.406 39.497 38.000 0.151 0.000 1.340 305 I HN 0.588 nan 8.210 nan 0.000 0.455 306 K N 4.774 125.406 120.400 0.386 0.000 2.489 306 K HA -0.047 4.273 4.320 -0.000 0.000 0.278 306 K C -0.338 176.444 176.600 0.304 0.000 1.000 306 K CA 0.391 56.876 56.287 0.330 0.000 1.012 306 K CB 0.350 33.044 32.500 0.322 0.000 0.903 306 K HN 0.596 nan 8.250 nan 0.000 0.485 307 H N 5.733 124.902 119.070 0.165 0.000 2.607 307 H HA 0.109 4.665 4.556 -0.000 0.000 0.248 307 H C -0.764 174.640 175.328 0.127 0.000 1.355 307 H CA -0.792 55.327 56.048 0.119 0.000 1.524 307 H CB 0.243 30.072 29.762 0.112 0.000 1.563 307 H HN 0.594 nan 8.280 nan 0.000 0.509 308 R N 3.908 124.384 120.500 -0.040 0.000 2.340 308 R HA 0.245 4.585 4.340 -0.000 0.000 0.300 308 R C -0.158 176.077 176.300 -0.108 0.000 1.069 308 R CA -0.619 55.486 56.100 0.009 0.000 0.984 308 R CB 0.689 31.020 30.300 0.051 0.000 1.003 308 R HN 0.313 nan 8.270 nan 0.000 0.459 309 I N 4.870 125.456 120.570 0.026 0.000 2.452 309 I HA 0.126 4.296 4.170 -0.000 0.000 0.287 309 I C -1.500 174.578 176.117 -0.065 0.000 1.079 309 I CA -1.971 59.329 61.300 0.000 0.000 1.387 309 I CB 0.443 38.522 38.000 0.131 0.000 1.404 309 I HN 0.355 nan 8.210 nan 0.000 0.522 310 P HA 0.114 nan 4.420 nan 0.000 0.270 310 P C -0.486 176.731 177.300 -0.139 0.000 1.223 310 P CA -0.162 62.836 63.100 -0.170 0.000 0.785 310 P CB 0.901 32.405 31.700 -0.326 0.000 0.923 311 N N -0.430 118.196 118.700 -0.122 0.000 2.439 311 N HA -0.023 4.717 4.740 -0.000 0.000 0.176 311 N C 1.688 177.133 175.510 -0.109 0.000 1.029 311 N CA 0.830 53.816 53.050 -0.107 0.000 0.886 311 N CB -0.545 37.898 38.487 -0.074 0.000 1.057 311 N HN 0.295 nan 8.380 nan 0.000 0.437 312 S N 0.895 116.514 115.700 -0.135 0.000 2.362 312 S HA 0.060 4.530 4.470 -0.000 0.000 0.221 312 S C 0.657 175.175 174.600 -0.136 0.000 1.032 312 S CA 0.811 58.928 58.200 -0.138 0.000 0.973 312 S CB 0.020 63.109 63.200 -0.184 0.000 0.849 312 S HN 0.207 nan 8.310 nan 0.000 0.465 313 K N 2.057 122.350 120.400 -0.177 0.000 2.322 313 K HA 0.153 4.473 4.320 -0.000 0.000 0.283 313 K C 0.051 176.637 176.600 -0.024 0.000 1.042 313 K CA -0.090 56.120 56.287 -0.128 0.000 0.958 313 K CB 0.555 32.929 32.500 -0.211 0.000 0.984 313 K HN 0.009 nan 8.250 nan 0.000 0.473 314 D N 2.109 122.512 120.400 0.004 0.000 2.277 314 D HA -0.051 4.589 4.640 -0.000 0.000 0.209 314 D C 0.049 176.391 176.300 0.070 0.000 0.970 314 D CA 0.925 54.943 54.000 0.029 0.000 0.874 314 D CB 0.559 41.359 40.800 -0.000 0.000 0.982 314 D HN 0.716 nan 8.370 nan 0.000 0.504 315 E N -0.860 119.386 120.200 0.076 0.000 2.416 315 E HA 0.500 4.850 4.350 -0.000 0.000 0.273 315 E C -1.119 175.555 176.600 0.123 0.000 0.935 315 E CA -0.980 55.440 56.400 0.032 0.000 0.784 315 E CB 2.075 31.739 29.700 -0.061 0.000 1.301 315 E HN 0.003 nan 8.360 nan 0.000 0.454 316 Y N -2.287 117.913 120.300 -0.168 0.000 2.852 316 Y HA 0.514 5.064 4.550 -0.000 0.000 0.350 316 Y C -1.516 174.220 175.900 -0.273 0.000 1.272 316 Y CA -1.205 56.825 58.100 -0.117 0.000 1.086 316 Y CB 0.932 39.450 38.460 0.097 0.000 1.408 316 Y HN 0.642 nan 8.280 nan 0.000 0.447 317 H N 0.283 119.543 119.070 0.316 0.000 2.797 317 H HA 0.814 5.370 4.556 -0.000 0.000 0.372 317 H C -0.755 174.695 175.328 0.202 0.000 1.168 317 H CA -0.252 55.881 56.048 0.143 0.000 1.163 317 H CB 2.230 32.043 29.762 0.086 0.000 1.778 317 H HN 1.161 nan 8.280 nan 0.000 0.551 318 C N 0.243 119.668 119.300 0.209 0.000 3.295 318 C HA 0.619 5.079 4.460 -0.000 0.000 0.341 318 C C -0.905 174.094 174.990 0.015 0.000 1.418 318 C CA -0.979 58.100 59.018 0.102 0.000 1.240 318 C CB 0.181 28.020 27.740 0.165 0.000 1.562 318 C HN 0.721 nan 8.230 nan 0.000 0.457 319 I N 2.706 123.244 120.570 -0.053 0.000 2.307 319 I HA 0.609 4.779 4.170 -0.000 0.000 0.289 319 I C 0.304 176.373 176.117 -0.079 0.000 1.021 319 I CA 0.523 61.758 61.300 -0.109 0.000 1.224 319 I CB 1.270 39.148 38.000 -0.203 0.000 1.376 319 I HN 0.861 nan 8.210 nan 0.000 0.470 320 S N 3.073 118.729 115.700 -0.075 0.000 2.596 320 S HA 0.530 5.000 4.470 -0.000 0.000 0.270 320 S C 0.168 174.689 174.600 -0.132 0.000 1.155 320 S CA -0.379 57.764 58.200 -0.095 0.000 0.827 320 S CB 2.026 65.185 63.200 -0.068 0.000 1.130 320 S HN 0.582 nan 8.310 nan 0.000 0.467 321 T N 1.302 115.732 114.554 -0.208 0.000 3.111 321 T HA 0.368 4.718 4.350 -0.000 0.000 0.236 321 T C -0.788 173.695 174.700 -0.361 0.000 0.984 321 T CA 0.737 62.636 62.100 -0.335 0.000 1.195 321 T CB -0.136 68.457 68.868 -0.460 0.000 0.929 321 T HN 0.624 nan 8.240 nan 0.000 0.431 322 Y N -0.119 120.206 120.300 0.042 0.000 2.576 322 Y HA 0.669 5.219 4.550 -0.000 0.000 0.346 322 Y C -0.920 174.803 175.900 -0.294 0.000 1.018 322 Y CA -1.445 56.633 58.100 -0.036 0.000 1.050 322 Y CB 1.715 40.211 38.460 0.060 0.000 1.280 322 Y HN -0.075 nan 8.280 nan 0.000 0.474 323 L N 3.740 124.925 121.223 -0.064 0.000 2.356 323 L HA 0.591 4.931 4.340 -0.000 0.000 0.277 323 L C -1.338 175.455 176.870 -0.128 0.000 0.996 323 L CA -0.681 54.003 54.840 -0.259 0.000 0.822 323 L CB 1.047 42.979 42.059 -0.211 0.000 1.256 323 L HN 0.476 nan 8.230 nan 0.000 0.413 324 F N 1.605 121.636 119.950 0.135 0.000 2.629 324 F HA 0.851 5.378 4.527 -0.000 0.000 0.316 324 F C -2.872 173.011 175.800 0.138 0.000 1.081 324 F CA -3.747 54.310 58.000 0.096 0.000 0.954 324 F CB 0.030 39.028 39.000 -0.002 0.000 1.337 324 F HN 0.120 nan 8.300 nan 0.000 0.474 325 P HA 0.209 nan 4.420 nan 0.000 0.272 325 P C -1.386 176.121 177.300 0.344 0.000 1.240 325 P CA -0.305 63.074 63.100 0.465 0.000 0.791 325 P CB 0.537 32.498 31.700 0.433 0.000 0.978 326 Q N 1.820 121.795 119.800 0.291 0.000 2.325 326 Q HA 0.364 4.704 4.340 -0.000 0.000 0.262 326 Q C -2.300 173.637 176.000 -0.105 0.000 0.968 326 Q CA -2.180 53.662 55.803 0.065 0.000 0.877 326 Q CB 0.705 29.478 28.738 0.059 0.000 1.253 326 Q HN 0.306 nan 8.270 nan 0.000 0.448 327 P HA -0.018 nan 4.420 nan 0.000 0.268 327 P C 0.692 177.974 177.300 -0.029 0.000 1.204 327 P CA 0.743 63.837 63.100 -0.010 0.000 0.768 327 P CB 0.578 32.298 31.700 0.034 0.000 0.842 328 G N 1.409 110.178 108.800 -0.052 0.000 2.184 328 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.264 328 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.264 328 G C 0.409 175.263 174.900 -0.077 0.000 0.975 328 G CA 0.065 45.138 45.100 -0.046 0.000 0.642 328 G HN 0.862 nan 8.290 nan 0.000 0.536 329 A N -0.215 122.500 122.820 -0.176 0.000 2.322 329 A HA 0.618 4.938 4.320 -0.000 0.000 0.269 329 A C 0.244 177.749 177.584 -0.133 0.000 1.094 329 A CA 0.052 51.963 52.037 -0.209 0.000 0.807 329 A CB 0.446 19.168 19.000 -0.463 0.000 1.047 329 A HN 0.249 nan 8.150 nan 0.000 0.487 330 D N 0.585 120.962 120.400 -0.037 0.000 2.382 330 D HA 0.386 5.026 4.640 -0.000 0.000 0.240 330 D C 1.437 177.762 176.300 0.043 0.000 1.146 330 D CA 1.017 55.021 54.000 0.006 0.000 0.897 330 D CB 0.989 41.798 40.800 0.015 0.000 1.197 330 D HN 0.558 nan 8.370 nan 0.000 0.432 331 A N 2.107 124.939 122.820 0.020 0.000 1.978 331 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 331 A C 1.394 178.916 177.584 -0.104 0.000 1.170 331 A CA 1.856 53.890 52.037 -0.005 0.000 0.636 331 A CB -0.368 18.626 19.000 -0.010 0.000 0.810 331 A HN 0.674 nan 8.150 nan 0.000 0.448 332 D N -1.925 118.429 120.400 -0.077 0.000 2.339 332 D HA 0.128 4.768 4.640 -0.000 0.000 0.217 332 D C 0.698 176.899 176.300 -0.165 0.000 1.050 332 D CA -0.065 53.867 54.000 -0.113 0.000 0.856 332 D CB -0.509 40.312 40.800 0.034 0.000 0.922 332 D HN 0.319 nan 8.370 nan 0.000 0.518 333 M N 1.335 120.882 119.600 -0.088 0.000 2.538 333 M HA 0.154 4.634 4.480 -0.000 0.000 0.327 333 M C -1.293 174.981 176.300 -0.043 0.000 1.545 333 M CA -0.308 55.011 55.300 0.031 0.000 1.380 333 M CB -0.443 32.230 32.600 0.121 0.000 1.657 333 M HN -0.073 nan 8.290 nan 0.000 0.459 334 Y N 3.656 124.025 120.300 0.115 0.000 2.735 334 Y HA 0.337 4.887 4.550 -0.000 0.000 0.354 334 Y C 0.186 176.158 175.900 0.119 0.000 1.288 334 Y CA -0.157 57.989 58.100 0.078 0.000 1.836 334 Y CB -0.121 38.366 38.460 0.044 0.000 1.920 334 Y HN 0.597 nan 8.280 nan 0.000 0.438 335 E N 1.622 121.982 120.200 0.266 0.000 2.290 335 E HA 0.566 4.916 4.350 -0.000 0.000 0.274 335 E C -1.524 175.287 176.600 0.352 0.000 0.889 335 E CA -0.501 56.070 56.400 0.284 0.000 0.760 335 E CB 1.388 31.232 29.700 0.240 0.000 1.206 335 E HN 0.380 nan 8.360 nan 0.000 0.419 336 L N 1.941 123.380 121.223 0.360 0.000 2.293 336 L HA 0.685 5.025 4.340 -0.000 0.000 0.264 336 L C -0.054 177.023 176.870 0.345 0.000 1.029 336 L CA -1.338 53.714 54.840 0.354 0.000 0.897 336 L CB 1.248 43.462 42.059 0.258 0.000 1.497 336 L HN 0.371 nan 8.230 nan 0.000 0.495 337 R N 0.918 121.611 120.500 0.322 0.000 2.670 337 R HA 0.317 4.657 4.340 -0.000 0.000 0.289 337 R C -1.123 175.200 176.300 0.038 0.000 0.965 337 R CA -0.509 55.777 56.100 0.309 0.000 0.899 337 R CB 1.496 32.123 30.300 0.546 0.000 1.173 337 R HN 0.585 nan 8.270 nan 0.000 0.456 338 N N 2.667 121.410 118.700 0.072 0.000 2.485 338 N HA 0.152 4.892 4.740 -0.000 0.000 0.243 338 N C -1.103 174.430 175.510 0.038 0.000 0.987 338 N CA -0.264 52.748 53.050 -0.063 0.000 0.940 338 N CB 0.546 39.036 38.487 0.004 0.000 1.122 338 N HN 0.260 nan 8.380 nan 0.000 0.509 339 F N 4.763 124.585 119.950 -0.213 0.000 2.410 339 F HA 0.422 4.949 4.527 -0.000 0.000 0.348 339 F C -0.669 175.111 175.800 -0.033 0.000 1.106 339 F CA -0.433 57.563 58.000 -0.005 0.000 1.163 339 F CB 0.738 39.838 39.000 0.167 0.000 1.129 339 F HN 0.341 nan 8.300 nan 0.000 0.516 340 M N 7.548 126.633 119.600 -0.859 0.000 2.134 340 M HA 0.352 4.832 4.480 -0.000 0.000 0.310 340 M C -0.493 175.227 176.300 -0.966 0.000 0.966 340 M CA -0.593 54.289 55.300 -0.696 0.000 0.922 340 M CB 1.853 34.266 32.600 -0.313 0.000 1.537 340 M HN 0.494 nan 8.290 nan 0.000 0.424 341 R N 4.177 124.206 120.500 -0.785 0.000 2.234 341 R HA 0.660 5.000 4.340 -0.000 0.000 0.324 341 R C -1.476 174.710 176.300 -0.190 0.000 1.054 341 R CA -0.018 55.839 56.100 -0.405 0.000 0.912 341 R CB 0.604 30.829 30.300 -0.126 0.000 1.030 341 R HN 0.781 nan 8.270 nan 0.000 0.455 342 L N 3.549 124.706 121.223 -0.110 0.000 2.260 342 L HA 0.610 4.950 4.340 -0.000 0.000 0.265 342 L C 0.409 177.260 176.870 -0.031 0.000 1.015 342 L CA -1.324 53.469 54.840 -0.079 0.000 0.826 342 L CB 1.112 43.131 42.059 -0.068 0.000 1.373 342 L HN 0.547 nan 8.230 nan 0.000 0.450 343 R N 0.461 120.933 120.500 -0.046 0.000 2.573 343 R HA 0.845 5.185 4.340 -0.000 0.000 0.272 343 R C -0.462 175.837 176.300 -0.001 0.000 1.009 343 R CA -0.348 55.739 56.100 -0.022 0.000 1.059 343 R CB 1.201 31.476 30.300 -0.041 0.000 1.112 343 R HN 0.733 nan 8.270 nan 0.000 0.517 344 G N 0.559 109.368 108.800 0.014 0.000 2.351 344 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.472 344 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.472 344 G C -1.663 173.266 174.900 0.048 0.000 1.570 344 G CA -0.919 44.206 45.100 0.041 0.000 0.921 344 G HN 0.614 nan 8.290 nan 0.000 0.674 345 Y N 1.446 121.714 120.300 -0.053 0.000 2.811 345 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 345 Y C 0.742 176.571 175.900 -0.119 0.000 1.247 345 Y CA 1.775 59.821 58.100 -0.090 0.000 1.526 345 Y CB 0.822 39.213 38.460 -0.114 0.000 1.284 345 Y HN 1.073 nan 8.280 nan 0.000 0.586 346 S N 4.692 119.889 115.700 -0.838 0.000 2.543 346 S HA 0.269 4.739 4.470 -0.000 0.000 0.271 346 S C -0.240 173.930 174.600 -0.717 0.000 1.148 346 S CA -0.864 57.001 58.200 -0.559 0.000 0.914 346 S CB 0.529 63.621 63.200 -0.181 0.000 1.096 346 S HN 0.837 nan 8.310 nan 0.000 0.471 347 H N 2.311 121.223 119.070 -0.262 0.000 2.547 347 H HA 0.204 4.760 4.556 -0.000 0.000 0.272 347 H C 0.302 175.589 175.328 -0.068 0.000 0.989 347 H CA 0.748 56.700 56.048 -0.159 0.000 1.214 347 H CB 0.231 29.953 29.762 -0.067 0.000 1.389 347 H HN 0.210 nan 8.280 nan 0.000 0.577 348 V N 2.009 121.960 119.914 0.062 0.000 2.448 348 V HA 0.013 4.133 4.120 -0.000 0.000 0.295 348 V C -0.047 176.090 176.094 0.073 0.000 1.025 348 V CA -1.073 61.284 62.300 0.094 0.000 0.859 348 V CB 2.402 34.335 31.823 0.184 0.000 0.988 348 V HN 0.080 nan 8.190 nan 0.000 0.431 349 D N 4.317 124.768 120.400 0.084 0.000 2.367 349 D HA 0.096 4.736 4.640 -0.000 0.000 0.255 349 D C 0.937 177.355 176.300 0.196 0.000 1.300 349 D CA 0.172 54.254 54.000 0.137 0.000 0.959 349 D CB 0.361 41.266 40.800 0.176 0.000 1.064 349 D HN 0.433 nan 8.370 nan 0.000 0.509 350 R N 1.774 122.401 120.500 0.211 0.000 2.480 350 R HA 0.039 4.379 4.340 -0.000 0.000 0.277 350 R C 1.370 177.827 176.300 0.261 0.000 1.008 350 R CA -0.081 56.200 56.100 0.301 0.000 1.090 350 R CB -0.115 30.382 30.300 0.328 0.000 1.234 350 R HN 0.614 nan 8.270 nan 0.000 0.549 351 H N -0.740 118.391 119.070 0.102 0.000 2.422 351 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 351 H C 1.718 177.071 175.328 0.042 0.000 1.098 351 H CA 1.190 57.278 56.048 0.065 0.000 1.315 351 H CB 0.132 29.919 29.762 0.042 0.000 1.382 351 H HN -0.013 nan 8.280 nan 0.000 0.523 352 M N 1.357 120.661 119.600 -0.494 0.000 2.202 352 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 352 M C 0.270 176.399 176.300 -0.285 0.000 1.063 352 M CA 0.991 56.013 55.300 -0.464 0.000 1.097 352 M CB -0.777 31.561 32.600 -0.436 0.000 1.382 352 M HN 0.458 nan 8.290 nan 0.000 0.413 353 H N 1.379 120.445 119.070 -0.007 0.000 2.819 353 H HA 0.186 4.742 4.556 -0.000 0.000 0.303 353 H C -2.003 173.304 175.328 -0.035 0.000 1.058 353 H CA -1.746 54.330 56.048 0.046 0.000 1.471 353 H CB -0.206 29.648 29.762 0.153 0.000 1.480 353 H HN 0.085 nan 8.280 nan 0.000 0.517 354 P HA -0.117 nan 4.420 nan 0.000 0.265 354 P C 0.441 177.711 177.300 -0.049 0.000 1.193 354 P CA -0.054 63.032 63.100 -0.024 0.000 0.765 354 P CB 0.810 32.485 31.700 -0.041 0.000 0.823 355 D N 1.477 121.865 120.400 -0.019 0.000 2.601 355 D HA -0.025 4.615 4.640 -0.000 0.000 0.229 355 D C 0.382 176.655 176.300 -0.046 0.000 1.140 355 D CA 0.694 54.678 54.000 -0.027 0.000 0.862 355 D CB 0.599 41.399 40.800 -0.000 0.000 1.192 355 D HN 0.353 nan 8.370 nan 0.000 0.480 356 A N 2.718 125.505 122.820 -0.055 0.000 2.492 356 A HA 0.395 4.715 4.320 -0.000 0.000 0.254 356 A C 0.371 177.986 177.584 0.052 0.000 1.091 356 A CA 0.058 52.068 52.037 -0.045 0.000 0.768 356 A CB 0.175 19.140 19.000 -0.058 0.000 1.028 356 A HN 0.505 nan 8.150 nan 0.000 0.498 357 S N 1.189 116.879 115.700 -0.016 0.000 2.732 357 S HA 0.620 5.090 4.470 -0.000 0.000 0.293 357 S C -0.332 174.221 174.600 -0.078 0.000 1.159 357 S CA -0.418 57.762 58.200 -0.033 0.000 0.847 357 S CB 0.984 64.175 63.200 -0.016 0.000 1.169 357 S HN 1.607 nan 8.310 nan 0.000 0.501 358 V N 1.822 121.678 119.914 -0.096 0.000 2.521 358 V HA 0.526 4.646 4.120 -0.000 0.000 0.286 358 V C -0.746 175.353 176.094 0.008 0.000 1.034 358 V CA 0.700 62.957 62.300 -0.071 0.000 1.045 358 V CB 0.262 32.016 31.823 -0.115 0.000 0.974 358 V HN 1.023 nan 8.190 nan 0.000 0.480 359 T N 7.274 121.869 114.554 0.068 0.000 2.861 359 T HA 0.361 4.711 4.350 -0.000 0.000 0.287 359 T C -0.537 174.259 174.700 0.160 0.000 1.003 359 T CA -0.609 61.549 62.100 0.096 0.000 0.977 359 T CB 1.467 70.374 68.868 0.064 0.000 0.996 359 T HN 0.800 nan 8.240 nan 0.000 0.448 360 K N 1.989 122.467 120.400 0.129 0.000 2.205 360 K HA 0.616 4.936 4.320 -0.000 0.000 0.279 360 K C -0.941 175.615 176.600 -0.072 0.000 1.027 360 K CA -0.592 55.639 56.287 -0.093 0.000 0.932 360 K CB 0.942 33.428 32.500 -0.023 0.000 1.032 360 K HN 0.428 nan 8.250 nan 0.000 0.466 361 V N 4.842 124.560 119.914 -0.327 0.000 2.623 361 V HA 0.354 4.474 4.120 -0.000 0.000 0.304 361 V C -1.216 174.662 176.094 -0.361 0.000 1.054 361 V CA -0.738 61.373 62.300 -0.315 0.000 0.882 361 V CB 1.867 33.325 31.823 -0.608 0.000 1.002 361 V HN 0.508 nan 8.190 nan 0.000 0.424 362 V N 6.385 126.236 119.914 -0.104 0.000 2.389 362 V HA 0.278 4.398 4.120 -0.000 0.000 0.264 362 V C 1.588 177.654 176.094 -0.048 0.000 1.049 362 V CA 0.491 62.763 62.300 -0.047 0.000 0.932 362 V CB 0.320 32.166 31.823 0.038 0.000 1.011 362 V HN 1.036 nan 8.190 nan 0.000 0.475 363 S N 3.885 119.605 115.700 0.034 0.000 2.381 363 S HA -0.297 4.173 4.470 -0.000 0.000 0.230 363 S C 2.039 176.656 174.600 0.028 0.000 1.052 363 S CA 2.296 60.551 58.200 0.092 0.000 1.068 363 S CB -0.434 62.832 63.200 0.109 0.000 0.918 363 S HN 0.861 nan 8.310 nan 0.000 0.448 364 R N 1.193 121.704 120.500 0.019 0.000 2.103 364 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 364 R C 1.193 177.514 176.300 0.035 0.000 1.142 364 R CA 2.046 58.157 56.100 0.018 0.000 0.960 364 R CB -0.427 29.884 30.300 0.018 0.000 0.858 364 R HN 0.406 nan 8.270 nan 0.000 0.439 365 D N -0.318 120.110 120.400 0.048 0.000 2.249 365 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 365 D C 1.716 178.054 176.300 0.063 0.000 0.962 365 D CA 0.627 54.681 54.000 0.090 0.000 0.860 365 D CB 0.287 41.199 40.800 0.188 0.000 0.955 365 D HN 0.128 nan 8.370 nan 0.000 0.505 366 V N 0.742 120.637 119.914 -0.032 0.000 3.129 366 V HA -0.068 4.052 4.120 -0.000 0.000 0.259 366 V C 2.354 178.491 176.094 0.072 0.000 1.116 366 V CA 0.860 63.129 62.300 -0.050 0.000 1.127 366 V CB -0.063 31.650 31.823 -0.184 0.000 0.742 366 V HN -0.023 nan 8.190 nan 0.000 0.474 367 R N -0.242 120.307 120.500 0.082 0.000 2.093 367 R HA -0.018 4.322 4.340 -0.000 0.000 0.224 367 R C 2.415 178.808 176.300 0.155 0.000 1.101 367 R CA 0.932 57.122 56.100 0.151 0.000 0.979 367 R CB -0.102 30.219 30.300 0.035 0.000 0.877 367 R HN 0.164 nan 8.270 nan 0.000 0.441 368 K N 0.361 120.806 120.400 0.076 0.000 2.057 368 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 368 K C 2.000 178.587 176.600 -0.021 0.000 1.049 368 K CA 1.581 57.884 56.287 0.027 0.000 0.931 368 K CB -0.142 32.372 32.500 0.023 0.000 0.714 368 K HN 0.287 nan 8.250 nan 0.000 0.440 369 M N 0.270 119.895 119.600 0.042 0.000 2.073 369 M HA -0.219 4.261 4.480 -0.000 0.000 0.258 369 M C 2.266 178.548 176.300 -0.030 0.000 1.070 369 M CA 1.554 56.913 55.300 0.098 0.000 1.103 369 M CB -0.556 32.173 32.600 0.216 0.000 1.321 369 M HN -0.114 nan 8.290 nan 0.000 0.405 370 V N 0.669 120.485 119.914 -0.163 0.000 2.252 370 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 370 V C 2.006 177.913 176.094 -0.313 0.000 1.056 370 V CA 2.319 64.306 62.300 -0.521 0.000 1.022 370 V CB -0.921 30.546 31.823 -0.592 0.000 0.641 370 V HN 0.515 nan 8.190 nan 0.000 0.445 371 E N -0.271 119.821 120.200 -0.179 0.000 2.204 371 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 371 E C 2.121 178.606 176.600 -0.192 0.000 0.990 371 E CA 1.081 57.403 56.400 -0.130 0.000 0.821 371 E CB -0.156 29.518 29.700 -0.042 0.000 0.750 371 E HN 0.532 nan 8.360 nan 0.000 0.477 372 L N -0.898 120.126 121.223 -0.332 0.000 2.202 372 L HA -0.049 4.291 4.340 -0.000 0.000 0.205 372 L C 1.434 177.911 176.870 -0.654 0.000 1.083 372 L CA 0.763 55.238 54.840 -0.608 0.000 0.790 372 L CB 0.099 41.549 42.059 -1.016 0.000 0.942 372 L HN 0.174 nan 8.230 nan 0.000 0.452 373 Y N -3.052 117.217 120.300 -0.051 0.000 2.526 373 Y HA 0.207 4.757 4.550 -0.000 0.000 0.265 373 Y C 1.306 177.258 175.900 0.087 0.000 1.092 373 Y CA -1.023 57.054 58.100 -0.037 0.000 1.277 373 Y CB -0.191 38.279 38.460 0.016 0.000 1.228 373 Y HN 0.045 nan 8.280 nan 0.000 0.507 374 H N 0.064 119.157 119.070 0.039 0.000 2.660 374 H HA 0.483 5.039 4.556 -0.000 0.000 0.374 374 H C 0.293 175.605 175.328 -0.027 0.000 1.291 374 H CA 0.410 56.460 56.048 0.004 0.000 1.437 374 H CB 0.844 30.581 29.762 -0.041 0.000 1.509 374 H HN 0.327 nan 8.280 nan 0.000 0.614 375 G N 0.742 109.583 108.800 0.068 0.000 2.397 375 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.453 375 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.453 375 G C 0.171 175.069 174.900 -0.003 0.000 1.579 375 G CA -0.798 44.315 45.100 0.021 0.000 0.906 375 G HN 0.496 nan 8.290 nan 0.000 0.675 376 R N 0.450 120.947 120.500 -0.006 0.000 2.293 376 R HA -0.062 4.278 4.340 -0.000 0.000 0.219 376 R C 1.443 177.738 176.300 -0.008 0.000 1.091 376 R CA 1.834 57.927 56.100 -0.011 0.000 1.004 376 R CB -0.032 30.264 30.300 -0.007 0.000 0.865 376 R HN 0.704 nan 8.270 nan 0.000 0.469 377 D N -1.478 118.921 120.400 -0.002 0.000 2.368 377 D HA 0.070 4.710 4.640 -0.000 0.000 0.218 377 D C 0.132 176.438 176.300 0.010 0.000 1.112 377 D CA -0.132 53.869 54.000 0.002 0.000 0.834 377 D CB 0.232 41.036 40.800 0.006 0.000 0.953 377 D HN -0.045 nan 8.370 nan 0.000 0.505 378 R N -1.103 119.402 120.500 0.009 0.000 2.892 378 R HA 0.686 5.026 4.340 -0.000 0.000 0.265 378 R C 0.506 176.819 176.300 0.022 0.000 1.025 378 R CA -0.586 55.530 56.100 0.026 0.000 0.982 378 R CB 2.125 32.439 30.300 0.025 0.000 1.185 378 R HN 0.087 nan 8.270 nan 0.000 0.484 379 G N 0.425 109.260 108.800 0.057 0.000 2.705 379 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.193 379 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.193 379 G C 0.900 175.812 174.900 0.019 0.000 1.015 379 G CA 0.205 45.334 45.100 0.047 0.000 0.743 379 G HN 0.555 nan 8.290 nan 0.000 0.476 380 R N 0.065 120.519 120.500 -0.076 0.000 2.080 380 R HA 0.073 4.413 4.340 -0.000 0.000 0.236 380 R C 2.178 178.331 176.300 -0.244 0.000 1.137 380 R CA 2.342 58.288 56.100 -0.257 0.000 0.943 380 R CB -0.433 29.558 30.300 -0.516 0.000 0.846 380 R HN 0.416 nan 8.270 nan 0.000 0.431 381 F N 0.065 120.073 119.950 0.097 0.000 2.367 381 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 381 F C 2.053 177.827 175.800 -0.043 0.000 1.094 381 F CA -0.024 57.988 58.000 0.021 0.000 1.409 381 F CB -0.181 38.829 39.000 0.017 0.000 1.064 381 F HN 0.123 nan 8.300 nan 0.000 0.528 382 L N 1.015 122.404 121.223 0.276 0.000 1.994 382 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 382 L C 2.330 179.161 176.870 -0.064 0.000 1.071 382 L CA 1.899 56.820 54.840 0.135 0.000 0.745 382 L CB -0.861 41.317 42.059 0.198 0.000 0.892 382 L HN 0.013 nan 8.230 nan 0.000 0.431 383 K N -0.393 119.985 120.400 -0.037 0.000 2.020 383 K HA -0.298 4.022 4.320 -0.000 0.000 0.212 383 K C 2.325 178.920 176.600 -0.008 0.000 1.050 383 K CA 2.152 58.412 56.287 -0.045 0.000 0.929 383 K CB -0.219 32.290 32.500 0.015 0.000 0.714 383 K HN 0.297 nan 8.250 nan 0.000 0.443 384 K N 0.450 120.860 120.400 0.016 0.000 2.015 384 K HA -0.211 4.109 4.320 -0.000 0.000 0.216 384 K C 2.170 178.812 176.600 0.070 0.000 1.052 384 K CA 1.897 58.231 56.287 0.078 0.000 0.937 384 K CB -0.063 32.499 32.500 0.104 0.000 0.719 384 K HN 0.121 nan 8.250 nan 0.000 0.446 385 R N 0.290 120.766 120.500 -0.040 0.000 2.120 385 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 385 R C 2.421 178.625 176.300 -0.161 0.000 1.123 385 R CA 1.293 57.320 56.100 -0.122 0.000 0.975 385 R CB -0.292 29.867 30.300 -0.234 0.000 0.866 385 R HN 0.274 nan 8.270 nan 0.000 0.446 386 L N -0.571 120.500 121.223 -0.253 0.000 2.005 386 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 386 L C 2.300 179.069 176.870 -0.168 0.000 1.072 386 L CA 1.080 55.660 54.840 -0.433 0.000 0.744 386 L CB -0.559 40.937 42.059 -0.939 0.000 0.895 386 L HN 0.075 nan 8.230 nan 0.000 0.433 387 F N 1.405 121.281 119.950 -0.125 0.000 2.063 387 F HA -0.316 4.211 4.527 -0.000 0.000 0.298 387 F C 2.461 178.247 175.800 -0.024 0.000 1.109 387 F CA 2.095 60.125 58.000 0.050 0.000 1.212 387 F CB -0.345 38.708 39.000 0.088 0.000 0.973 387 F HN 0.104 nan 8.300 nan 0.000 0.480 388 E N -1.755 118.411 120.200 -0.058 0.000 2.150 388 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 388 E C 2.254 178.770 176.600 -0.140 0.000 0.985 388 E CA 1.145 57.448 56.400 -0.162 0.000 0.814 388 E CB -0.467 29.203 29.700 -0.049 0.000 0.752 388 E HN 0.589 nan 8.360 nan 0.000 0.466 389 H N 0.492 119.433 119.070 -0.215 0.000 2.403 389 H HA 0.025 4.581 4.556 -0.000 0.000 0.298 389 H C 2.052 177.272 175.328 -0.180 0.000 1.059 389 H CA 0.755 56.704 56.048 -0.165 0.000 1.363 389 H CB 0.258 29.899 29.762 -0.201 0.000 1.410 389 H HN 0.130 nan 8.280 nan 0.000 0.528 390 L N -0.226 120.696 121.223 -0.501 0.000 2.156 390 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 390 L C 1.517 177.983 176.870 -0.674 0.000 1.095 390 L CA 0.855 55.195 54.840 -0.833 0.000 0.770 390 L CB -0.173 41.230 42.059 -1.092 0.000 0.914 390 L HN 0.384 nan 8.230 nan 0.000 0.439 391 H N -1.443 117.443 119.070 -0.308 0.000 2.893 391 H HA 0.419 4.975 4.556 -0.000 0.000 0.270 391 H C 0.083 175.222 175.328 -0.316 0.000 1.095 391 H CA -0.085 55.761 56.048 -0.336 0.000 1.186 391 H CB 1.105 30.424 29.762 -0.738 0.000 1.562 391 H HN 0.173 nan 8.280 nan 0.000 0.536 392 I N 1.559 122.032 120.570 -0.163 0.000 2.433 392 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 392 I C -0.032 176.054 176.117 -0.050 0.000 1.001 392 I CA -0.971 60.249 61.300 -0.133 0.000 1.119 392 I CB 2.813 40.730 38.000 -0.138 0.000 1.289 392 I HN -0.270 nan 8.210 nan 0.000 0.438 393 V N 6.369 126.262 119.914 -0.035 0.000 2.479 393 V HA 0.134 4.254 4.120 -0.000 0.000 0.281 393 V C 0.657 176.820 176.094 0.115 0.000 1.031 393 V CA -0.354 61.991 62.300 0.076 0.000 1.038 393 V CB 0.472 32.416 31.823 0.201 0.000 0.981 393 V HN 0.655 nan 8.190 nan 0.000 0.478 394 R N 4.228 124.750 120.500 0.035 0.000 2.343 394 R HA 0.408 4.748 4.340 -0.000 0.000 0.326 394 R C -0.421 175.903 176.300 0.041 0.000 1.055 394 R CA -0.020 56.093 56.100 0.021 0.000 0.961 394 R CB 0.135 30.420 30.300 -0.024 0.000 0.978 394 R HN 0.697 nan 8.270 nan 0.000 0.443 395 K N 2.473 122.897 120.400 0.041 0.000 2.557 395 K HA 0.179 4.498 4.320 -0.000 0.000 0.257 395 K C -1.547 175.061 176.600 0.013 0.000 0.933 395 K CA -0.777 55.514 56.287 0.006 0.000 0.820 395 K CB 1.323 33.743 32.500 -0.133 0.000 1.330 395 K HN 0.396 nan 8.250 nan 0.000 0.432 396 N N 2.096 120.812 118.700 0.026 0.000 2.401 396 N HA 0.130 4.870 4.740 -0.000 0.000 0.255 396 N C 0.869 176.405 175.510 0.043 0.000 1.110 396 N CA 0.568 53.641 53.050 0.039 0.000 0.949 396 N CB 1.409 39.924 38.487 0.048 0.000 1.110 396 N HN 0.788 nan 8.380 nan 0.000 0.490 397 G N 3.737 112.557 108.800 0.033 0.000 2.505 397 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 397 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 397 G C 1.434 176.329 174.900 -0.009 0.000 1.145 397 G CA 0.749 45.820 45.100 -0.048 0.000 0.761 397 G HN 0.642 nan 8.290 nan 0.000 0.571 398 L N -0.497 120.783 121.223 0.096 0.000 2.201 398 L HA 0.115 4.455 4.340 -0.000 0.000 0.212 398 L C 2.386 179.270 176.870 0.023 0.000 1.105 398 L CA 0.458 55.332 54.840 0.057 0.000 0.775 398 L CB -0.177 41.928 42.059 0.076 0.000 0.913 398 L HN 0.171 nan 8.230 nan 0.000 0.440 399 L N -2.080 119.161 121.223 0.031 0.000 2.616 399 L HA 0.112 4.452 4.340 -0.000 0.000 0.229 399 L C 0.972 177.850 176.870 0.014 0.000 1.110 399 L CA -0.197 54.655 54.840 0.020 0.000 0.884 399 L CB -0.130 41.946 42.059 0.028 0.000 1.115 399 L HN 0.209 nan 8.230 nan 0.000 0.481 400 H N 2.024 121.033 119.070 -0.101 0.000 2.668 400 H HA 0.189 4.745 4.556 -0.000 0.000 0.303 400 H C -0.738 174.519 175.328 -0.118 0.000 1.074 400 H CA -0.105 55.868 56.048 -0.125 0.000 1.406 400 H CB 0.948 30.600 29.762 -0.183 0.000 1.442 400 H HN 0.132 nan 8.280 nan 0.000 0.482 401 E N 3.713 123.618 120.200 -0.492 0.000 2.146 401 E HA 0.210 4.560 4.350 -0.000 0.000 0.282 401 E C -0.765 175.526 176.600 -0.514 0.000 0.989 401 E CA -0.668 55.515 56.400 -0.362 0.000 0.799 401 E CB 0.723 30.297 29.700 -0.210 0.000 1.088 401 E HN 0.670 nan 8.360 nan 0.000 0.397 402 S N 3.038 118.601 115.700 -0.229 0.000 2.578 402 S HA 0.342 4.812 4.470 -0.000 0.000 0.301 402 S C -0.035 174.562 174.600 -0.005 0.000 1.091 402 S CA -0.906 57.265 58.200 -0.049 0.000 1.032 402 S CB 1.689 65.009 63.200 0.201 0.000 1.064 402 S HN 0.515 nan 8.310 nan 0.000 0.508 403 D N 0.149 120.575 120.400 0.044 0.000 2.388 403 D HA 0.156 4.796 4.640 -0.000 0.000 0.208 403 D C -0.032 176.299 176.300 0.051 0.000 1.035 403 D CA 0.589 54.609 54.000 0.034 0.000 0.875 403 D CB 0.352 41.173 40.800 0.036 0.000 0.984 403 D HN 0.552 nan 8.370 nan 0.000 0.508 404 E N 1.472 121.725 120.200 0.088 0.000 2.212 404 E HA 0.324 4.674 4.350 -0.000 0.000 0.270 404 E C -2.349 174.292 176.600 0.067 0.000 0.956 404 E CA -2.097 54.351 56.400 0.080 0.000 0.825 404 E CB 1.223 30.989 29.700 0.111 0.000 1.167 404 E HN -0.046 nan 8.360 nan 0.000 0.400 405 P HA 0.021 nan 4.420 nan 0.000 0.265 405 P C -0.372 176.920 177.300 -0.013 0.000 1.193 405 P CA 0.301 63.402 63.100 0.001 0.000 0.765 405 P CB 0.430 32.115 31.700 -0.025 0.000 0.823 406 R N 1.701 122.185 120.500 -0.026 0.000 2.854 406 R HA 0.899 5.239 4.340 -0.000 0.000 0.271 406 R C -1.231 174.972 176.300 -0.161 0.000 0.996 406 R CA -1.232 54.847 56.100 -0.036 0.000 0.961 406 R CB 1.707 32.082 30.300 0.126 0.000 1.182 406 R HN 0.371 nan 8.270 nan 0.000 0.479 407 A N 0.952 123.591 122.820 -0.303 0.000 2.374 407 A HA 0.474 4.794 4.320 -0.000 0.000 0.317 407 A C -1.135 176.420 177.584 -0.048 0.000 1.094 407 A CA -0.801 51.045 52.037 -0.317 0.000 0.765 407 A CB 1.476 20.028 19.000 -0.747 0.000 1.268 407 A HN 0.874 nan 8.150 nan 0.000 0.438 408 D N 2.539 122.957 120.400 0.029 0.000 2.772 408 D HA 0.242 4.882 4.640 -0.000 0.000 0.326 408 D C -1.071 175.300 176.300 0.118 0.000 1.207 408 D CA 0.181 54.324 54.000 0.238 0.000 0.777 408 D CB 0.758 41.648 40.800 0.148 0.000 1.169 408 D HN 0.394 nan 8.370 nan 0.000 0.506 409 L N 0.485 121.799 121.223 0.152 0.000 2.276 409 L HA 0.360 4.700 4.340 -0.000 0.000 0.286 409 L C 0.207 177.173 176.870 0.160 0.000 1.061 409 L CA -0.563 54.219 54.840 -0.096 0.000 0.807 409 L CB 0.128 42.147 42.059 -0.067 0.000 1.177 409 L HN 0.232 nan 8.230 nan 0.000 0.429 410 F N 4.189 124.231 119.950 0.154 0.000 2.905 410 F HA -0.317 4.210 4.527 -0.000 0.000 0.291 410 F C 0.452 176.439 175.800 0.311 0.000 1.002 410 F CA 0.955 59.093 58.000 0.230 0.000 0.978 410 F CB -1.866 37.272 39.000 0.229 0.000 1.036 410 F HN 0.669 nan 8.300 nan 0.000 0.820 411 Y N -3.872 116.552 120.300 0.207 0.000 2.510 411 Y HA 0.275 4.825 4.550 -0.000 0.000 0.285 411 Y C 1.145 177.087 175.900 0.071 0.000 1.089 411 Y CA -0.302 57.879 58.100 0.134 0.000 1.007 411 Y CB -0.724 37.812 38.460 0.125 0.000 1.372 411 Y HN -0.090 nan 8.280 nan 0.000 0.563 412 L N 2.262 123.070 121.223 -0.691 0.000 2.030 412 L HA -0.191 4.149 4.340 -0.000 0.000 0.222 412 L C 2.075 178.808 176.870 -0.228 0.000 1.082 412 L CA 3.086 57.596 54.840 -0.550 0.000 0.785 412 L CB -1.659 40.099 42.059 -0.502 0.000 0.895 412 L HN 0.724 nan 8.230 nan 0.000 0.439 413 T N -3.992 110.396 114.554 -0.278 0.000 3.206 413 T HA 0.122 4.472 4.350 -0.000 0.000 0.253 413 T C 0.710 175.136 174.700 -0.457 0.000 1.042 413 T CA -0.460 61.248 62.100 -0.653 0.000 0.931 413 T CB -0.926 67.520 68.868 -0.703 0.000 1.029 413 T HN 0.271 nan 8.240 nan 0.000 0.564 414 N N 1.732 120.369 118.700 -0.105 0.000 2.407 414 N HA 0.074 4.814 4.740 -0.000 0.000 0.250 414 N C 1.285 176.893 175.510 0.163 0.000 1.236 414 N CA -0.356 52.689 53.050 -0.009 0.000 0.879 414 N CB 0.710 39.235 38.487 0.064 0.000 1.088 414 N HN 0.220 nan 8.380 nan 0.000 0.450 415 R N 1.318 121.899 120.500 0.134 0.000 2.159 415 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 415 R C 2.136 178.516 176.300 0.133 0.000 1.131 415 R CA 1.394 57.614 56.100 0.200 0.000 0.982 415 R CB -0.321 30.026 30.300 0.078 0.000 0.868 415 R HN 0.841 nan 8.270 nan 0.000 0.453 416 C N -0.027 119.334 119.300 0.101 0.000 2.443 416 C HA 0.127 4.587 4.460 -0.000 0.000 0.290 416 C C 0.879 175.928 174.990 0.099 0.000 1.476 416 C CA -0.069 58.995 59.018 0.077 0.000 1.772 416 C CB -0.871 26.907 27.740 0.064 0.000 1.714 416 C HN 0.358 nan 8.230 nan 0.000 0.562 417 N N -0.195 118.610 118.700 0.175 0.000 2.204 417 N HA 0.221 4.961 4.740 -0.000 0.000 0.219 417 N C 0.098 175.684 175.510 0.128 0.000 1.151 417 N CA -0.093 53.066 53.050 0.182 0.000 0.867 417 N CB -0.133 38.489 38.487 0.226 0.000 1.043 417 N HN 0.613 nan 8.380 nan 0.000 0.516 418 M N 0.245 119.815 119.600 -0.051 0.000 2.248 418 M HA 0.096 4.576 4.480 -0.000 0.000 0.343 418 M C 0.994 177.113 176.300 -0.302 0.000 1.243 418 M CA 1.164 56.150 55.300 -0.524 0.000 1.025 418 M CB 0.257 32.586 32.600 -0.452 0.000 1.759 418 M HN 0.479 nan 8.290 nan 0.000 0.452 419 G N 4.099 112.685 108.800 -0.356 0.000 2.160 419 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.251 419 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.251 419 G C -0.034 174.831 174.900 -0.058 0.000 1.008 419 G CA 0.330 45.334 45.100 -0.159 0.000 0.724 419 G HN 0.699 nan 8.290 nan 0.000 0.514 420 L N -1.000 120.210 121.223 -0.022 0.000 3.288 420 L HA 0.343 4.683 4.340 -0.000 0.000 0.293 420 L C 1.683 178.584 176.870 0.053 0.000 1.294 420 L CA -0.378 54.480 54.840 0.029 0.000 1.006 420 L CB 0.492 42.574 42.059 0.038 0.000 1.407 420 L HN 0.072 nan 8.230 nan 0.000 0.592 421 E N 1.119 121.362 120.200 0.071 0.000 2.086 421 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 421 E C -0.749 175.953 176.600 0.171 0.000 1.012 421 E CA 1.972 58.423 56.400 0.085 0.000 0.812 421 E CB -0.846 28.998 29.700 0.239 0.000 0.743 421 E HN 0.377 nan 8.360 nan 0.000 0.453 422 P HA -0.221 nan 4.420 nan 0.000 0.215 422 P C 1.441 178.829 177.300 0.147 0.000 1.163 422 P CA 2.333 65.552 63.100 0.198 0.000 0.894 422 P CB -0.136 31.634 31.700 0.117 0.000 0.791 423 S N -1.869 113.879 115.700 0.080 0.000 2.461 423 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 423 S C 1.965 176.575 174.600 0.016 0.000 1.005 423 S CA 0.524 58.753 58.200 0.048 0.000 0.942 423 S CB -1.422 61.800 63.200 0.036 0.000 0.776 423 S HN 0.031 nan 8.310 nan 0.000 0.514 424 I N 0.277 120.830 120.570 -0.029 0.000 2.163 424 I HA -0.149 4.021 4.170 -0.000 0.000 0.240 424 I C 2.293 178.323 176.117 -0.144 0.000 1.081 424 I CA 1.575 62.788 61.300 -0.145 0.000 1.353 424 I CB -0.470 37.378 38.000 -0.253 0.000 1.054 424 I HN 0.248 nan 8.210 nan 0.000 0.407 425 Y N 0.635 120.965 120.300 0.050 0.000 2.274 425 Y HA -0.276 4.274 4.550 -0.000 0.000 0.290 425 Y C 2.577 178.510 175.900 0.055 0.000 1.145 425 Y CA 1.242 59.382 58.100 0.068 0.000 1.203 425 Y CB -0.225 38.291 38.460 0.093 0.000 0.984 425 Y HN 0.165 nan 8.280 nan 0.000 0.533 426 E N 0.044 120.343 120.200 0.165 0.000 2.110 426 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 426 E C 2.100 178.718 176.600 0.031 0.000 0.988 426 E CA 1.268 57.717 56.400 0.081 0.000 0.804 426 E CB -0.192 29.540 29.700 0.053 0.000 0.745 426 E HN 0.206 nan 8.360 nan 0.000 0.458 427 V N 0.513 120.434 119.914 0.012 0.000 2.307 427 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 427 V C 2.250 178.342 176.094 -0.004 0.000 1.045 427 V CA 1.984 64.274 62.300 -0.017 0.000 1.024 427 V CB -0.439 31.355 31.823 -0.050 0.000 0.651 427 V HN 0.405 nan 8.190 nan 0.000 0.449 428 M N -0.309 119.305 119.600 0.023 0.000 2.446 428 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 428 M C 2.177 178.532 176.300 0.092 0.000 1.066 428 M CA 1.541 56.879 55.300 0.063 0.000 1.087 428 M CB -0.570 32.098 32.600 0.114 0.000 1.406 428 M HN 0.287 nan 8.290 nan 0.000 0.459 429 K N 1.851 122.289 120.400 0.063 0.000 2.228 429 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 429 K C 1.707 178.240 176.600 -0.112 0.000 1.051 429 K CA 1.031 57.279 56.287 -0.065 0.000 0.960 429 K CB 0.269 32.681 32.500 -0.148 0.000 0.743 429 K HN 0.437 nan 8.250 nan 0.000 0.458 430 K N -1.171 119.194 120.400 -0.057 0.000 2.450 430 K HA 0.155 4.475 4.320 -0.000 0.000 0.206 430 K C 0.406 176.989 176.600 -0.028 0.000 1.148 430 K CA -0.298 55.956 56.287 -0.055 0.000 1.014 430 K CB 0.627 33.094 32.500 -0.055 0.000 0.966 430 K HN -0.120 nan 8.250 nan 0.000 0.566 431 S N 0.597 116.287 115.700 -0.017 0.000 2.585 431 S HA 0.116 4.586 4.470 -0.000 0.000 0.273 431 S C 1.240 175.836 174.600 -0.007 0.000 1.339 431 S CA -0.706 57.486 58.200 -0.014 0.000 1.028 431 S CB 1.196 64.386 63.200 -0.016 0.000 0.906 431 S HN 0.118 nan 8.310 nan 0.000 0.528 432 V N 4.176 124.078 119.914 -0.021 0.000 2.591 432 V HA 0.233 4.353 4.120 -0.000 0.000 0.249 432 V C 0.922 177.059 176.094 0.072 0.000 1.053 432 V CA 1.208 63.511 62.300 0.005 0.000 1.068 432 V CB -0.588 31.197 31.823 -0.064 0.000 0.689 432 V HN 0.768 nan 8.190 nan 0.000 0.462 433 I N -0.259 120.324 120.570 0.021 0.000 2.667 433 I HA 0.637 4.807 4.170 -0.000 0.000 0.288 433 I C -1.117 174.968 176.117 -0.053 0.000 1.267 433 I CA -0.361 60.956 61.300 0.028 0.000 1.055 433 I CB 1.481 39.554 38.000 0.120 0.000 1.294 433 I HN 0.035 nan 8.210 nan 0.000 0.429 434 A N 4.179 126.956 122.820 -0.071 0.000 2.498 434 A HA 0.922 5.242 4.320 -0.000 0.000 0.298 434 A C -0.644 176.843 177.584 -0.161 0.000 1.075 434 A CA -0.392 51.575 52.037 -0.117 0.000 0.714 434 A CB 1.910 20.858 19.000 -0.086 0.000 1.299 434 A HN 0.643 nan 8.150 nan 0.000 0.407 435 T N -1.287 113.129 114.554 -0.230 0.000 2.908 435 T HA 0.863 5.213 4.350 -0.000 0.000 0.290 435 T C -0.423 174.242 174.700 -0.057 0.000 1.034 435 T CA -0.142 61.846 62.100 -0.187 0.000 1.010 435 T CB 1.787 70.374 68.868 -0.468 0.000 1.068 435 T HN 2.084 nan 8.240 nan 0.000 0.481 436 A N 2.101 124.969 122.820 0.080 0.000 2.455 436 A HA 0.576 4.896 4.320 -0.000 0.000 0.300 436 A C -1.032 176.652 177.584 0.167 0.000 1.040 436 A CA -0.914 51.165 52.037 0.069 0.000 0.697 436 A CB 1.209 20.175 19.000 -0.057 0.000 1.265 436 A HN 0.941 nan 8.150 nan 0.000 0.407 437 W N 4.059 125.308 121.300 -0.085 0.000 2.303 437 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 437 W C -0.047 176.320 176.519 -0.253 0.000 1.362 437 W CA 0.838 58.019 57.345 -0.274 0.000 1.234 437 W CB 1.496 30.792 29.460 -0.273 0.000 1.248 437 W HN 0.776 nan 8.180 nan 0.000 0.546 438 V N 3.294 122.718 119.914 -0.816 0.000 3.451 438 V HA 0.340 4.460 4.120 -0.000 0.000 0.288 438 V C 0.909 176.577 176.094 -0.710 0.000 1.502 438 V CA 0.349 62.325 62.300 -0.539 0.000 1.026 438 V CB -0.398 31.217 31.823 -0.347 0.000 0.840 438 V HN 0.563 nan 8.190 nan 0.000 0.437 439 G N 1.016 108.979 108.800 -1.395 0.000 2.353 439 G HA2 0.299 4.259 3.960 -0.000 0.000 0.239 439 G HA3 0.299 4.259 3.960 -0.000 0.000 0.239 439 G C 0.568 175.284 174.900 -0.308 0.000 1.295 439 G CA -0.119 44.398 45.100 -0.971 0.000 0.884 439 G HN 0.470 nan 8.290 nan 0.000 0.537 440 R N 1.824 122.210 120.500 -0.190 0.000 2.307 440 R HA 0.251 4.591 4.340 -0.000 0.000 0.200 440 R C 1.515 177.799 176.300 -0.026 0.000 0.893 440 R CA 0.189 56.255 56.100 -0.057 0.000 1.042 440 R CB 0.344 30.594 30.300 -0.082 0.000 1.059 440 R HN 0.584 nan 8.270 nan 0.000 0.530 441 A N 3.149 125.934 122.820 -0.057 0.000 2.475 441 A HA 0.129 4.449 4.320 -0.000 0.000 0.239 441 A C -1.966 175.574 177.584 -0.074 0.000 1.087 441 A CA -0.527 51.474 52.037 -0.060 0.000 0.779 441 A CB -0.219 18.737 19.000 -0.073 0.000 1.036 441 A HN -0.002 nan 8.150 nan 0.000 0.506 442 P HA 0.429 nan 4.420 nan 0.000 0.206 442 P C -1.040 176.108 177.300 -0.254 0.000 1.867 442 P CA 0.258 63.277 63.100 -0.135 0.000 0.991 442 P CB -0.078 31.603 31.700 -0.033 0.000 1.822 443 L N 1.781 122.789 121.223 -0.359 0.000 2.620 443 L HA 0.419 4.759 4.340 -0.000 0.000 0.261 443 L C -1.037 175.641 176.870 -0.320 0.000 0.978 443 L CA -1.008 53.510 54.840 -0.537 0.000 0.897 443 L CB 1.185 43.218 42.059 -0.043 0.000 1.207 443 L HN -0.013 nan 8.230 nan 0.000 0.425 444 Y N 2.060 122.452 120.300 0.155 0.000 2.301 444 Y HA 0.316 4.866 4.550 -0.000 0.000 0.328 444 Y C 0.971 176.955 175.900 0.140 0.000 1.242 444 Y CA -0.721 57.447 58.100 0.114 0.000 1.323 444 Y CB 0.300 38.809 38.460 0.082 0.000 1.266 444 Y HN 0.595 nan 8.280 nan 0.000 0.527 445 D N -0.694 119.857 120.400 0.251 0.000 2.983 445 D HA -0.291 4.349 4.640 -0.000 0.000 0.225 445 D C -1.393 175.063 176.300 0.260 0.000 1.174 445 D CA 1.249 55.365 54.000 0.192 0.000 0.831 445 D CB -1.675 39.224 40.800 0.166 0.000 1.104 445 D HN 0.590 nan 8.370 nan 0.000 0.421 446 Y N -0.038 120.253 120.300 -0.014 0.000 2.332 446 Y HA 0.324 4.874 4.550 -0.000 0.000 0.325 446 Y C -0.420 175.316 175.900 -0.273 0.000 1.054 446 Y CA -1.263 56.751 58.100 -0.142 0.000 1.119 446 Y CB 1.676 40.014 38.460 -0.203 0.000 1.168 446 Y HN -0.267 nan 8.280 nan 0.000 0.439 447 D N 2.717 122.830 120.400 -0.478 0.000 3.071 447 D HA 0.172 4.812 4.640 -0.000 0.000 0.259 447 D C -1.093 174.984 176.300 -0.372 0.000 1.331 447 D CA 0.088 53.892 54.000 -0.327 0.000 0.861 447 D CB 0.070 40.740 40.800 -0.216 0.000 1.059 447 D HN 0.405 nan 8.370 nan 0.000 0.486 448 D N -0.197 119.874 120.400 -0.549 0.000 2.228 448 D HA 0.295 4.935 4.640 -0.000 0.000 0.247 448 D C -0.296 175.841 176.300 -0.273 0.000 0.995 448 D CA -0.600 53.107 54.000 -0.488 0.000 0.903 448 D CB 0.861 41.237 40.800 -0.707 0.000 1.205 448 D HN 0.174 nan 8.370 nan 0.000 0.459 449 F N -0.060 119.838 119.950 -0.086 0.000 2.379 449 F HA 0.755 5.282 4.527 -0.000 0.000 0.332 449 F C -0.068 175.859 175.800 0.211 0.000 1.096 449 F CA -1.475 56.547 58.000 0.037 0.000 1.105 449 F CB 0.678 39.689 39.000 0.019 0.000 1.189 449 F HN 0.215 nan 8.300 nan 0.000 0.515 450 A N 4.976 128.027 122.820 0.384 0.000 2.320 450 A HA 0.544 4.864 4.320 -0.000 0.000 0.287 450 A C -0.394 177.323 177.584 0.222 0.000 1.181 450 A CA -0.755 51.448 52.037 0.276 0.000 0.831 450 A CB 0.076 19.180 19.000 0.172 0.000 1.102 450 A HN 0.893 nan 8.150 nan 0.000 0.513 451 L N 3.653 124.941 121.223 0.108 0.000 2.380 451 L HA 0.250 4.590 4.340 -0.000 0.000 0.273 451 L C -2.019 174.906 176.870 0.092 0.000 1.138 451 L CA -1.750 53.176 54.840 0.144 0.000 0.832 451 L CB 0.935 43.053 42.059 0.098 0.000 1.124 451 L HN 0.463 nan 8.230 nan 0.000 0.454 452 P HA 0.066 nan 4.420 nan 0.000 0.263 452 P C 0.256 177.583 177.300 0.045 0.000 1.195 452 P CA 0.064 63.202 63.100 0.064 0.000 0.762 452 P CB 0.489 32.239 31.700 0.084 0.000 0.799 453 R N 2.071 122.559 120.500 -0.019 0.000 2.103 453 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 453 R C 2.187 178.471 176.300 -0.028 0.000 1.142 453 R CA 2.325 58.399 56.100 -0.043 0.000 0.960 453 R CB -0.750 29.489 30.300 -0.101 0.000 0.858 453 R HN 0.603 nan 8.270 nan 0.000 0.439 454 S N -0.237 115.448 115.700 -0.024 0.000 2.383 454 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 454 S C 1.932 176.523 174.600 -0.014 0.000 1.026 454 S CA 1.578 59.748 58.200 -0.050 0.000 0.981 454 S CB -0.370 62.831 63.200 0.002 0.000 0.818 454 S HN 0.216 nan 8.310 nan 0.000 0.472 455 T N 2.423 117.004 114.554 0.045 0.000 2.777 455 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 455 T C 1.924 176.628 174.700 0.006 0.000 1.040 455 T CA 1.321 63.443 62.100 0.036 0.000 1.141 455 T CB -0.628 68.291 68.868 0.085 0.000 0.868 455 T HN 0.295 nan 8.240 nan 0.000 0.444 456 V N 1.730 121.704 119.914 0.100 0.000 2.233 456 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 456 V C 2.549 178.687 176.094 0.074 0.000 1.050 456 V CA 1.849 64.250 62.300 0.169 0.000 1.010 456 V CB -0.693 31.217 31.823 0.146 0.000 0.637 456 V HN 0.447 nan 8.190 nan 0.000 0.444 457 M N -0.721 118.882 119.600 0.005 0.000 2.089 457 M HA -0.258 4.222 4.480 -0.000 0.000 0.257 457 M C 2.154 178.450 176.300 -0.007 0.000 1.071 457 M CA 2.107 57.377 55.300 -0.051 0.000 1.096 457 M CB -0.525 31.981 32.600 -0.156 0.000 1.330 457 M HN 0.281 nan 8.290 nan 0.000 0.403 458 L N -0.597 120.631 121.223 0.009 0.000 2.217 458 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 458 L C 1.807 178.787 176.870 0.184 0.000 1.107 458 L CA 0.665 55.607 54.840 0.170 0.000 0.783 458 L CB -0.525 41.597 42.059 0.105 0.000 0.919 458 L HN 0.326 nan 8.230 nan 0.000 0.442 459 N N -0.340 118.353 118.700 -0.011 0.000 2.439 459 N HA 0.000 4.740 4.740 -0.000 0.000 0.176 459 N C 1.848 177.352 175.510 -0.011 0.000 1.029 459 N CA 1.095 54.071 53.050 -0.124 0.000 0.886 459 N CB -0.269 37.925 38.487 -0.488 0.000 1.057 459 N HN 0.185 nan 8.380 nan 0.000 0.437 460 G N -0.171 108.688 108.800 0.099 0.000 2.421 460 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 460 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 460 G C 0.594 175.631 174.900 0.228 0.000 1.143 460 G CA 0.281 45.519 45.100 0.229 0.000 0.784 460 G HN 0.311 nan 8.290 nan 0.000 0.541 461 S N 0.078 115.877 115.700 0.164 0.000 2.448 461 S HA 0.565 5.035 4.470 -0.000 0.000 0.279 461 S C -1.060 173.639 174.600 0.164 0.000 1.195 461 S CA -0.671 57.711 58.200 0.302 0.000 1.051 461 S CB 0.005 63.487 63.200 0.469 0.000 0.948 461 S HN 0.223 nan 8.310 nan 0.000 0.493 462 Y N 2.318 122.815 120.300 0.329 0.000 2.605 462 Y HA 0.492 5.042 4.550 -0.000 0.000 0.343 462 Y C 1.335 177.112 175.900 -0.205 0.000 1.036 462 Y CA -1.233 56.978 58.100 0.185 0.000 1.065 462 Y CB 0.832 39.332 38.460 0.067 0.000 1.288 462 Y HN 0.563 nan 8.280 nan 0.000 0.481 463 R N 0.281 120.514 120.500 -0.446 0.000 2.162 463 R HA -0.242 4.098 4.340 -0.000 0.000 0.245 463 R C 0.299 176.432 176.300 -0.277 0.000 1.129 463 R CA 2.690 58.354 56.100 -0.726 0.000 0.940 463 R CB -0.178 29.895 30.300 -0.379 0.000 0.875 463 R HN 0.805 nan 8.270 nan 0.000 0.437 464 D N -0.717 119.630 120.400 -0.088 0.000 2.350 464 D HA 0.088 4.728 4.640 -0.000 0.000 0.213 464 D C -0.043 176.269 176.300 0.020 0.000 1.031 464 D CA 0.407 54.385 54.000 -0.036 0.000 0.861 464 D CB 0.390 41.172 40.800 -0.031 0.000 0.926 464 D HN 0.128 nan 8.370 nan 0.000 0.520 465 I N 1.505 122.136 120.570 0.101 0.000 2.354 465 I HA 0.252 4.422 4.170 -0.000 0.000 0.286 465 I C 0.337 176.543 176.117 0.149 0.000 1.007 465 I CA -0.737 60.652 61.300 0.148 0.000 1.167 465 I CB 1.254 39.406 38.000 0.253 0.000 1.320 465 I HN -0.380 nan 8.210 nan 0.000 0.458 466 R N 4.724 125.261 120.500 0.062 0.000 2.265 466 R HA 0.489 4.829 4.340 -0.000 0.000 0.314 466 R C -0.842 175.479 176.300 0.035 0.000 1.053 466 R CA -0.273 55.840 56.100 0.022 0.000 0.931 466 R CB 0.680 30.879 30.300 -0.168 0.000 1.024 466 R HN 0.548 nan 8.270 nan 0.000 0.457 467 I N 5.557 126.170 120.570 0.071 0.000 2.410 467 I HA 0.423 4.593 4.170 -0.000 0.000 0.286 467 I C -1.584 174.540 176.117 0.011 0.000 1.009 467 I CA -0.280 61.054 61.300 0.055 0.000 1.111 467 I CB 0.735 38.794 38.000 0.098 0.000 1.262 467 I HN 0.531 nan 8.210 nan 0.000 0.443 468 L N 5.303 126.522 121.223 -0.007 0.000 2.409 468 L HA 0.566 4.906 4.340 -0.000 0.000 0.255 468 L C -1.048 175.816 176.870 -0.010 0.000 1.027 468 L CA -1.200 53.624 54.840 -0.026 0.000 0.834 468 L CB 2.008 44.053 42.059 -0.024 0.000 1.426 468 L HN 0.570 nan 8.230 nan 0.000 0.411 469 D N -0.140 120.243 120.400 -0.027 0.000 2.358 469 D HA 0.202 4.842 4.640 -0.000 0.000 0.244 469 D C 1.229 177.556 176.300 0.046 0.000 1.163 469 D CA -0.005 53.984 54.000 -0.020 0.000 0.945 469 D CB 1.104 41.862 40.800 -0.069 0.000 1.152 469 D HN 0.599 nan 8.370 nan 0.000 0.451 470 G N 0.368 109.223 108.800 0.092 0.000 2.469 470 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.219 470 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.219 470 G C 1.308 176.355 174.900 0.245 0.000 1.150 470 G CA 0.924 46.173 45.100 0.248 0.000 0.763 470 G HN 0.760 nan 8.290 nan 0.000 0.561 471 N N 0.554 119.331 118.700 0.127 0.000 2.142 471 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 471 N C 2.468 178.076 175.510 0.164 0.000 1.023 471 N CA 1.094 54.261 53.050 0.196 0.000 0.852 471 N CB -0.324 38.238 38.487 0.125 0.000 0.998 471 N HN 0.280 nan 8.380 nan 0.000 0.424 472 G N 0.612 109.463 108.800 0.084 0.000 2.440 472 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 472 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 472 G C 1.577 176.574 174.900 0.161 0.000 1.154 472 G CA 1.034 46.178 45.100 0.073 0.000 0.767 472 G HN 0.469 nan 8.290 nan 0.000 0.552 473 A N 0.738 123.644 122.820 0.143 0.000 1.908 473 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 473 A C 2.373 180.067 177.584 0.184 0.000 1.181 473 A CA 1.413 53.538 52.037 0.146 0.000 0.627 473 A CB -0.272 18.785 19.000 0.095 0.000 0.818 473 A HN 0.313 nan 8.150 nan 0.000 0.445 474 I N -0.580 120.092 120.570 0.168 0.000 2.202 474 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 474 I C 2.282 178.483 176.117 0.140 0.000 1.091 474 I CA 1.017 62.370 61.300 0.089 0.000 1.368 474 I CB -1.025 36.935 38.000 -0.066 0.000 1.058 474 I HN 0.195 nan 8.210 nan 0.000 0.410 475 L N 0.006 121.345 121.223 0.194 0.000 2.083 475 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 475 L C 2.414 179.459 176.870 0.291 0.000 1.083 475 L CA 1.615 56.579 54.840 0.207 0.000 0.752 475 L CB -1.542 40.614 42.059 0.163 0.000 0.899 475 L HN 0.124 nan 8.230 nan 0.000 0.433 476 F N -0.039 120.041 119.950 0.215 0.000 2.102 476 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 476 F C 2.258 178.213 175.800 0.258 0.000 1.105 476 F CA 1.535 59.735 58.000 0.333 0.000 1.239 476 F CB -0.135 39.035 39.000 0.282 0.000 0.991 476 F HN -0.011 nan 8.300 nan 0.000 0.474 477 L N -0.754 120.621 121.223 0.253 0.000 2.156 477 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 477 L C 2.516 179.465 176.870 0.132 0.000 1.095 477 L CA 0.923 55.856 54.840 0.156 0.000 0.770 477 L CB -0.598 41.521 42.059 0.100 0.000 0.914 477 L HN 0.183 nan 8.230 nan 0.000 0.439 478 M N -1.397 118.289 119.600 0.143 0.000 2.106 478 M HA -0.283 4.197 4.480 -0.000 0.000 0.259 478 M C 2.192 178.584 176.300 0.153 0.000 1.068 478 M CA 2.111 57.497 55.300 0.143 0.000 1.100 478 M CB -0.475 32.217 32.600 0.152 0.000 1.351 478 M HN 0.451 nan 8.290 nan 0.000 0.404 479 W N 0.646 121.886 121.300 -0.099 0.000 2.443 479 W HA -0.075 4.585 4.660 -0.000 0.000 0.296 479 W C 2.407 178.759 176.519 -0.278 0.000 1.202 479 W CA 1.249 58.495 57.345 -0.166 0.000 1.312 479 W CB -0.259 29.093 29.460 -0.180 0.000 1.120 479 W HN 0.038 nan 8.180 nan 0.000 0.536 480 R N -1.338 118.835 120.500 -0.546 0.000 2.128 480 R HA 0.022 4.362 4.340 -0.000 0.000 0.211 480 R C -0.039 175.788 176.300 -0.790 0.000 1.067 480 R CA 1.129 56.678 56.100 -0.919 0.000 1.010 480 R CB -0.492 29.089 30.300 -1.198 0.000 0.922 480 R HN 0.123 nan 8.270 nan 0.000 0.457 481 Y N -0.432 119.790 120.300 -0.130 0.000 2.658 481 Y HA 0.377 4.927 4.550 -0.000 0.000 0.362 481 Y C -2.014 173.892 175.900 0.010 0.000 1.017 481 Y CA -2.530 55.555 58.100 -0.025 0.000 1.134 481 Y CB 1.718 40.217 38.460 0.063 0.000 1.144 481 Y HN 0.094 nan 8.280 nan 0.000 0.655 482 P HA -0.154 nan 4.420 nan 0.000 0.220 482 P C 0.693 178.052 177.300 0.098 0.000 1.144 482 P CA 1.637 64.787 63.100 0.083 0.000 0.800 482 P CB 0.394 32.121 31.700 0.046 0.000 0.772 483 D N -2.608 117.859 120.400 0.112 0.000 2.431 483 D HA 0.188 4.828 4.640 -0.000 0.000 0.213 483 D C 1.602 177.969 176.300 0.111 0.000 1.130 483 D CA 0.000 54.059 54.000 0.098 0.000 0.834 483 D CB -0.001 40.845 40.800 0.076 0.000 0.985 483 D HN 0.137 nan 8.370 nan 0.000 0.504 484 I N -0.440 120.220 120.570 0.149 0.000 2.339 484 I HA -0.030 4.140 4.170 -0.000 0.000 0.245 484 I C 0.380 176.575 176.117 0.130 0.000 1.096 484 I CA 0.727 62.112 61.300 0.142 0.000 1.408 484 I CB 0.469 38.566 38.000 0.162 0.000 1.092 484 I HN -0.254 nan 8.210 nan 0.000 0.423 485 V N 2.571 122.567 119.914 0.137 0.000 2.380 485 V HA 0.236 4.356 4.120 -0.000 0.000 0.286 485 V C -0.245 175.910 176.094 0.102 0.000 1.015 485 V CA -0.971 61.391 62.300 0.104 0.000 0.834 485 V CB 1.105 32.979 31.823 0.084 0.000 1.009 485 V HN 0.142 nan 8.190 nan 0.000 0.428 486 K N 2.432 122.889 120.400 0.094 0.000 2.219 486 K HA 0.278 4.598 4.320 -0.000 0.000 0.258 486 K C 0.799 177.462 176.600 0.106 0.000 1.008 486 K CA -0.459 55.884 56.287 0.093 0.000 0.928 486 K CB 1.131 33.681 32.500 0.084 0.000 0.983 486 K HN 0.355 nan 8.250 nan 0.000 0.484 487 K N 1.063 121.524 120.400 0.101 0.000 2.147 487 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 487 K C 1.126 177.802 176.600 0.127 0.000 1.049 487 K CA 1.536 57.891 56.287 0.113 0.000 0.936 487 K CB -0.091 32.461 32.500 0.087 0.000 0.722 487 K HN 0.499 nan 8.250 nan 0.000 0.446 488 D N -0.268 120.195 120.400 0.105 0.000 2.349 488 D HA -0.049 4.591 4.640 -0.000 0.000 0.224 488 D C -0.437 175.954 176.300 0.151 0.000 1.029 488 D CA -0.090 53.970 54.000 0.100 0.000 0.879 488 D CB 0.060 40.900 40.800 0.067 0.000 0.906 488 D HN -0.042 nan 8.370 nan 0.000 0.528 489 L N 1.306 122.639 121.223 0.183 0.000 2.706 489 L HA -0.013 4.327 4.340 -0.000 0.000 0.282 489 L C -0.210 176.879 176.870 0.365 0.000 1.219 489 L CA 0.804 55.786 54.840 0.236 0.000 0.935 489 L CB 0.160 42.334 42.059 0.191 0.000 1.204 489 L HN -0.124 nan 8.230 nan 0.000 0.491 490 T N 7.311 122.044 114.554 0.298 0.000 2.729 490 T HA 0.467 4.817 4.350 -0.000 0.000 0.296 490 T C -0.650 174.295 174.700 0.408 0.000 0.928 490 T CA 0.310 62.589 62.100 0.299 0.000 1.045 490 T CB -0.156 68.828 68.868 0.192 0.000 0.902 490 T HN 0.615 nan 8.240 nan 0.000 0.500 491 Y N 0.678 121.090 120.300 0.186 0.000 2.725 491 Y HA 0.632 5.182 4.550 -0.000 0.000 0.333 491 Y C -1.613 174.387 175.900 0.167 0.000 1.242 491 Y CA -1.582 56.638 58.100 0.200 0.000 1.059 491 Y CB 1.242 39.871 38.460 0.282 0.000 1.306 491 Y HN 0.326 nan 8.280 nan 0.000 0.454 492 D N 2.054 122.475 120.400 0.035 0.000 2.441 492 D HA 0.443 5.083 4.640 -0.000 0.000 0.231 492 D C -2.252 174.010 176.300 -0.064 0.000 1.073 492 D CA -2.793 51.168 54.000 -0.065 0.000 0.850 492 D CB 1.944 42.774 40.800 0.050 0.000 1.062 492 D HN 0.307 nan 8.370 nan 0.000 0.524 493 P HA -0.120 nan 4.420 nan 0.000 0.216 493 P C 1.071 178.331 177.300 -0.067 0.000 1.150 493 P CA 1.468 64.503 63.100 -0.108 0.000 0.837 493 P CB 0.268 31.887 31.700 -0.136 0.000 0.786 494 A N -0.815 121.967 122.820 -0.062 0.000 1.877 494 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 494 A C 2.234 179.790 177.584 -0.047 0.000 1.186 494 A CA 1.391 53.390 52.037 -0.063 0.000 0.620 494 A CB -1.963 17.023 19.000 -0.025 0.000 0.822 494 A HN 0.302 nan 8.150 nan 0.000 0.443 495 W N 0.706 121.916 121.300 -0.151 0.000 2.332 495 W HA -0.220 4.440 4.660 -0.000 0.000 0.321 495 W C 2.380 178.754 176.519 -0.240 0.000 1.219 495 W CA 2.177 59.435 57.345 -0.145 0.000 1.277 495 W CB -0.464 28.952 29.460 -0.074 0.000 1.161 495 W HN 0.433 nan 8.180 nan 0.000 0.476 496 A N 1.053 123.614 122.820 -0.431 0.000 1.927 496 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 496 A C 1.980 179.349 177.584 -0.359 0.000 1.185 496 A CA 2.466 54.004 52.037 -0.832 0.000 0.639 496 A CB -1.143 17.576 19.000 -0.468 0.000 0.820 496 A HN 0.459 nan 8.150 nan 0.000 0.451 497 M N -0.042 119.387 119.600 -0.286 0.000 2.686 497 M HA -0.038 4.442 4.480 -0.000 0.000 0.246 497 M C 0.916 176.944 176.300 -0.454 0.000 1.096 497 M CA 0.342 55.478 55.300 -0.274 0.000 1.076 497 M CB -0.241 32.228 32.600 -0.217 0.000 1.504 497 M HN 0.358 nan 8.290 nan 0.000 0.524 498 N N -0.023 118.245 118.700 -0.720 0.000 2.515 498 N HA 0.047 4.787 4.740 -0.000 0.000 0.185 498 N C -0.418 174.288 175.510 -1.341 0.000 1.109 498 N CA 0.707 52.986 53.050 -1.284 0.000 0.903 498 N CB 0.208 37.490 38.487 -2.007 0.000 0.969 498 N HN 0.195 nan 8.380 nan 0.000 0.450 499 F N 0.184 119.797 119.950 -0.562 0.000 2.480 499 F HA 0.584 5.111 4.527 -0.000 0.000 0.329 499 F C 0.413 176.106 175.800 -0.179 0.000 1.091 499 F CA -1.279 56.557 58.000 -0.274 0.000 0.972 499 F CB 1.319 40.315 39.000 -0.006 0.000 1.150 499 F HN -0.241 nan 8.300 nan 0.000 0.467 500 A N 2.091 124.943 122.820 0.053 0.000 2.306 500 A HA 0.804 5.124 4.320 -0.000 0.000 0.314 500 A C -1.079 176.544 177.584 0.065 0.000 1.164 500 A CA -0.577 51.481 52.037 0.035 0.000 0.822 500 A CB 0.847 19.852 19.000 0.009 0.000 1.130 500 A HN 0.556 nan 8.150 nan 0.000 0.496 501 V N 2.017 121.954 119.914 0.040 0.000 2.588 501 V HA 0.581 4.701 4.120 -0.000 0.000 0.304 501 V C 0.132 176.227 176.094 0.000 0.000 1.042 501 V CA -0.421 61.880 62.300 0.003 0.000 0.877 501 V CB 1.874 33.697 31.823 -0.000 0.000 0.996 501 V HN 1.078 nan 8.190 nan 0.000 0.425 502 S N 5.498 121.195 115.700 -0.004 0.000 2.475 502 S HA 0.887 5.357 4.470 -0.000 0.000 0.298 502 S C -0.954 173.651 174.600 0.008 0.000 1.119 502 S CA -0.721 57.492 58.200 0.022 0.000 1.085 502 S CB 1.427 64.661 63.200 0.057 0.000 1.028 502 S HN 0.533 nan 8.310 nan 0.000 0.489 503 L N 1.879 123.107 121.223 0.009 0.000 2.408 503 L HA 0.524 4.864 4.340 -0.000 0.000 0.268 503 L C -0.022 176.887 176.870 0.064 0.000 0.986 503 L CA -0.769 54.090 54.840 0.031 0.000 0.820 503 L CB 2.257 44.292 42.059 -0.039 0.000 1.303 503 L HN 0.732 nan 8.230 nan 0.000 0.411 504 K N 2.907 123.374 120.400 0.111 0.000 2.278 504 K HA 0.143 4.463 4.320 -0.000 0.000 0.237 504 K C -0.748 175.932 176.600 0.133 0.000 1.229 504 K CA 0.063 56.405 56.287 0.092 0.000 1.155 504 K CB 0.050 32.590 32.500 0.067 0.000 1.590 504 K HN 0.355 nan 8.250 nan 0.000 0.290 505 E N 2.929 123.193 120.200 0.106 0.000 2.246 505 E HA 0.284 4.634 4.350 -0.000 0.000 0.266 505 E C -2.624 173.996 176.600 0.035 0.000 0.880 505 E CA -2.426 54.056 56.400 0.136 0.000 0.762 505 E CB 1.699 31.546 29.700 0.245 0.000 1.180 505 E HN 0.319 nan 8.360 nan 0.000 0.416 506 P HA 0.194 nan 4.420 nan 0.000 0.271 506 P C 0.394 177.622 177.300 -0.119 0.000 1.218 506 P CA -0.289 62.778 63.100 -0.055 0.000 0.780 506 P CB 0.790 32.459 31.700 -0.052 0.000 0.901 507 I N 3.413 123.884 120.570 -0.166 0.000 2.906 507 I HA -0.071 4.099 4.170 -0.000 0.000 0.302 507 I C -1.596 174.324 176.117 -0.329 0.000 1.220 507 I CA -0.947 60.179 61.300 -0.289 0.000 1.441 507 I CB -0.700 37.215 38.000 -0.142 0.000 1.336 507 I HN 0.249 nan 8.210 nan 0.000 0.565 508 P HA 0.076 nan 4.420 nan 0.000 0.270 508 P C -1.116 176.072 177.300 -0.187 0.000 1.223 508 P CA -0.027 62.856 63.100 -0.362 0.000 0.785 508 P CB 0.481 31.962 31.700 -0.365 0.000 0.923 509 D N 0.211 120.548 120.400 -0.104 0.000 2.616 509 D HA 0.256 4.896 4.640 -0.000 0.000 0.238 509 D C -2.404 173.909 176.300 0.022 0.000 1.354 509 D CA -1.697 52.291 54.000 -0.020 0.000 0.970 509 D CB 0.316 41.100 40.800 -0.026 0.000 1.369 509 D HN 0.139 nan 8.370 nan 0.000 0.585 510 P HA 0.192 nan 4.420 nan 0.000 0.265 510 P C -2.385 174.950 177.300 0.058 0.000 1.187 510 P CA -1.056 62.133 63.100 0.147 0.000 0.766 510 P CB -0.023 31.855 31.700 0.298 0.000 0.820 511 P HA -0.001 nan 4.420 nan 0.000 0.244 511 P C 0.222 177.431 177.300 -0.152 0.000 1.723 511 P CA 0.128 63.265 63.100 0.061 0.000 1.110 511 P CB -0.065 31.741 31.700 0.177 0.000 1.972 512 V N 4.206 124.033 119.914 -0.146 0.000 2.775 512 V HA 0.196 4.316 4.120 -0.000 0.000 0.299 512 V C -1.626 174.299 176.094 -0.282 0.000 1.062 512 V CA -2.146 59.830 62.300 -0.539 0.000 1.063 512 V CB 1.058 32.777 31.823 -0.173 0.000 0.994 512 V HN 0.242 nan 8.190 nan 0.000 0.483 513 P HA 0.163 nan 4.420 nan 0.000 0.218 513 P C -0.483 176.593 177.300 -0.373 0.000 1.793 513 P CA -0.168 62.675 63.100 -0.429 0.000 0.941 513 P CB -0.231 31.228 31.700 -0.401 0.000 1.919 514 D N 0.292 120.496 120.400 -0.327 0.000 2.399 514 D HA 0.051 4.691 4.640 -0.000 0.000 0.241 514 D C 1.691 177.759 176.300 -0.386 0.000 1.133 514 D CA -0.256 53.471 54.000 -0.455 0.000 0.890 514 D CB 0.612 40.903 40.800 -0.849 0.000 1.201 514 D HN -0.014 nan 8.370 nan 0.000 0.432 515 I N 1.725 122.082 120.570 -0.354 0.000 2.181 515 I HA -0.402 3.768 4.170 -0.000 0.000 0.247 515 I C 2.331 178.317 176.117 -0.219 0.000 1.081 515 I CA 1.820 62.959 61.300 -0.269 0.000 1.340 515 I CB -0.311 37.566 38.000 -0.205 0.000 1.036 515 I HN 0.565 nan 8.210 nan 0.000 0.417 516 S N 0.509 116.136 115.700 -0.122 0.000 2.392 516 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 516 S C 1.884 176.409 174.600 -0.125 0.000 1.041 516 S CA 1.670 59.898 58.200 0.047 0.000 1.026 516 S CB -0.737 62.727 63.200 0.439 0.000 0.845 516 S HN 0.447 nan 8.310 nan 0.000 0.465 517 L N 0.766 121.760 121.223 -0.382 0.000 2.145 517 L HA 0.372 4.712 4.340 -0.000 0.000 0.201 517 L C 0.301 176.831 176.870 -0.568 0.000 1.075 517 L CA 0.844 55.288 54.840 -0.659 0.000 0.773 517 L CB -0.114 41.154 42.059 -1.318 0.000 0.936 517 L HN 0.477 nan 8.230 nan 0.000 0.451 518 C N 0.347 119.339 119.300 -0.513 0.000 2.321 518 C HA 0.528 4.988 4.460 -0.000 0.000 0.323 518 C C 1.202 175.885 174.990 -0.512 0.000 1.191 518 C CA -0.647 58.029 59.018 -0.571 0.000 1.455 518 C CB 0.472 28.097 27.740 -0.192 0.000 2.083 518 C HN 0.497 nan 8.230 nan 0.000 0.442 519 R N 0.819 120.880 120.500 -0.731 0.000 2.789 519 R HA 0.365 4.704 4.340 -0.000 0.000 0.166 519 R C 0.051 176.314 176.300 -0.062 0.000 0.957 519 R CA -0.213 55.685 56.100 -0.337 0.000 1.084 519 R CB -0.113 30.010 30.300 -0.294 0.000 1.312 519 R HN 0.569 nan 8.270 nan 0.000 0.546 520 F N 1.664 121.565 119.950 -0.082 0.000 3.074 520 F HA -0.190 4.337 4.527 -0.000 0.000 0.287 520 F C -0.360 175.413 175.800 -0.045 0.000 0.932 520 F CA -0.367 57.462 58.000 -0.284 0.000 0.995 520 F CB -1.246 37.622 39.000 -0.220 0.000 0.966 520 F HN 0.066 nan 8.300 nan 0.000 0.721 521 I N 1.381 121.993 120.570 0.070 0.000 2.598 521 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 521 I C 1.516 177.607 176.117 -0.043 0.000 1.140 521 I CA 1.412 62.624 61.300 -0.147 0.000 1.420 521 I CB 0.198 38.115 38.000 -0.137 0.000 1.387 521 I HN 0.565 nan 8.210 nan 0.000 0.553 522 G N 4.996 113.629 108.800 -0.278 0.000 2.175 522 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 522 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 522 G C 0.880 175.745 174.900 -0.057 0.000 0.982 522 G CA 0.299 45.312 45.100 -0.146 0.000 0.641 522 G HN 0.560 nan 8.290 nan 0.000 0.527 523 L N 0.844 122.047 121.223 -0.033 0.000 2.043 523 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 523 L C 2.854 179.724 176.870 -0.000 0.000 1.075 523 L CA 3.017 57.878 54.840 0.035 0.000 0.752 523 L CB -0.377 41.685 42.059 0.005 0.000 0.891 523 L HN 0.444 nan 8.230 nan 0.000 0.432 524 R N -1.421 119.051 120.500 -0.047 0.000 2.073 524 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 524 R C 2.165 178.441 176.300 -0.040 0.000 1.134 524 R CA 1.573 57.665 56.100 -0.014 0.000 0.952 524 R CB -0.798 29.491 30.300 -0.018 0.000 0.850 524 R HN 0.309 nan 8.270 nan 0.000 0.433 525 V N 1.723 121.587 119.914 -0.083 0.000 2.392 525 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 525 V C 2.276 178.344 176.094 -0.043 0.000 1.059 525 V CA 1.681 63.935 62.300 -0.076 0.000 1.051 525 V CB -0.380 31.376 31.823 -0.111 0.000 0.658 525 V HN 0.284 nan 8.190 nan 0.000 0.455 526 E N 0.432 120.618 120.200 -0.023 0.000 2.204 526 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 526 E C 2.482 179.086 176.600 0.006 0.000 0.989 526 E CA 1.535 57.932 56.400 -0.006 0.000 0.824 526 E CB -0.249 29.476 29.700 0.042 0.000 0.756 526 E HN 0.790 nan 8.360 nan 0.000 0.477 527 S N -0.084 115.624 115.700 0.013 0.000 2.387 527 S HA -0.022 4.448 4.470 -0.000 0.000 0.226 527 S C 2.256 176.872 174.600 0.025 0.000 1.026 527 S CA 1.017 59.236 58.200 0.032 0.000 0.972 527 S CB -0.025 63.195 63.200 0.033 0.000 0.814 527 S HN -0.013 nan 8.310 nan 0.000 0.477 528 S N 1.320 117.022 115.700 0.005 0.000 2.371 528 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 528 S C 1.925 176.522 174.600 -0.004 0.000 1.029 528 S CA 1.094 59.292 58.200 -0.002 0.000 0.978 528 S CB -0.513 62.677 63.200 -0.016 0.000 0.833 528 S HN 0.409 nan 8.310 nan 0.000 0.466 529 V N 1.768 121.674 119.914 -0.013 0.000 2.490 529 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 529 V C 2.178 178.269 176.094 -0.006 0.000 1.061 529 V CA 1.219 63.509 62.300 -0.017 0.000 1.064 529 V CB -0.514 31.290 31.823 -0.032 0.000 0.670 529 V HN 0.323 nan 8.190 nan 0.000 0.461 530 L N -0.095 121.134 121.223 0.009 0.000 2.072 530 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 530 L C 2.488 179.384 176.870 0.044 0.000 1.079 530 L CA 1.901 56.759 54.840 0.030 0.000 0.752 530 L CB -0.725 41.371 42.059 0.061 0.000 0.906 530 L HN 0.201 nan 8.230 nan 0.000 0.436 531 R N -0.989 119.535 120.500 0.040 0.000 2.093 531 R HA -0.067 4.273 4.340 -0.000 0.000 0.224 531 R C 2.034 178.344 176.300 0.017 0.000 1.101 531 R CA 1.411 57.532 56.100 0.035 0.000 0.979 531 R CB -0.057 30.259 30.300 0.027 0.000 0.877 531 R HN 0.386 nan 8.270 nan 0.000 0.441 532 V N -2.290 117.629 119.914 0.008 0.000 3.306 532 V HA 0.132 4.252 4.120 -0.000 0.000 0.264 532 V C 1.751 177.845 176.094 -0.000 0.000 1.149 532 V CA 0.911 63.211 62.300 0.001 0.000 1.143 532 V CB -0.252 31.568 31.823 -0.005 0.000 0.767 532 V HN 0.194 nan 8.190 nan 0.000 0.476 533 R N 0.605 121.106 120.500 0.002 0.000 2.140 533 R HA 0.287 4.627 4.340 -0.000 0.000 0.200 533 R C 0.606 176.908 176.300 0.004 0.000 1.069 533 R CA 0.829 56.929 56.100 -0.001 0.000 1.088 533 R CB 0.194 30.490 30.300 -0.008 0.000 1.012 533 R HN 0.558 nan 8.270 nan 0.000 0.500 534 N N 1.127 119.836 118.700 0.015 0.000 2.725 534 N HA 0.171 4.911 4.740 -0.000 0.000 0.248 534 N C -2.818 172.724 175.510 0.054 0.000 1.402 534 N CA -1.742 51.322 53.050 0.024 0.000 0.766 534 N CB 1.144 39.638 38.487 0.013 0.000 1.223 534 N HN -0.107 nan 8.380 nan 0.000 0.515 535 P HA 0.166 nan 4.420 nan 0.000 0.274 535 P C -0.041 177.289 177.300 0.051 0.000 1.237 535 P CA -0.157 62.972 63.100 0.049 0.000 0.793 535 P CB 1.333 33.045 31.700 0.020 0.000 0.977 551 L N 0.224 121.494 121.223 0.077 0.000 2.179 551 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 551 L C 2.221 179.189 176.870 0.163 0.000 1.096 551 L CA 1.739 56.636 54.840 0.095 0.000 0.779 551 L CB -0.069 42.010 42.059 0.033 0.000 0.922 551 L HN 0.210 nan 8.230 nan 0.000 0.443 552 S N -1.246 114.527 115.700 0.122 0.000 2.371 552 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 552 S C 2.041 176.722 174.600 0.136 0.000 1.029 552 S CA 0.719 58.995 58.200 0.127 0.000 0.978 552 S CB -0.970 62.276 63.200 0.077 0.000 0.833 552 S HN 0.410 nan 8.310 nan 0.000 0.466 553 G N 1.418 110.283 108.800 0.107 0.000 2.432 553 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 553 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 553 G C 1.500 176.473 174.900 0.123 0.000 1.135 553 G CA 0.937 46.101 45.100 0.107 0.000 0.767 553 G HN 0.637 nan 8.290 nan 0.000 0.550 554 H N 0.183 119.252 119.070 -0.001 0.000 2.352 554 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 554 H C 2.446 177.637 175.328 -0.228 0.000 1.097 554 H CA 1.533 57.510 56.048 -0.118 0.000 1.311 554 H CB -0.123 29.581 29.762 -0.096 0.000 1.377 554 H HN 0.290 nan 8.280 nan 0.000 0.504 555 L N 0.105 121.372 121.223 0.073 0.000 2.072 555 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 555 L C 2.487 179.299 176.870 -0.096 0.000 1.079 555 L CA 1.508 56.280 54.840 -0.112 0.000 0.752 555 L CB -0.985 41.075 42.059 0.002 0.000 0.906 555 L HN 0.219 nan 8.230 nan 0.000 0.436 556 Y N -1.133 119.127 120.300 -0.067 0.000 2.200 556 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 556 Y C 2.195 178.081 175.900 -0.023 0.000 1.137 556 Y CA 2.045 60.137 58.100 -0.013 0.000 1.163 556 Y CB -0.279 38.202 38.460 0.036 0.000 0.988 556 Y HN -0.006 nan 8.280 nan 0.000 0.518 557 V N 0.298 120.227 119.914 0.025 0.000 2.307 557 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 557 V C 2.548 178.566 176.094 -0.127 0.000 1.045 557 V CA 2.424 64.689 62.300 -0.058 0.000 1.024 557 V CB -1.278 30.543 31.823 -0.004 0.000 0.651 557 V HN 0.697 nan 8.190 nan 0.000 0.449 558 T N -0.737 113.690 114.554 -0.211 0.000 2.665 558 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 558 T C 1.896 176.530 174.700 -0.110 0.000 1.035 558 T CA 1.890 63.900 62.100 -0.150 0.000 1.151 558 T CB -0.610 68.005 68.868 -0.422 0.000 0.862 558 T HN 0.338 nan 8.240 nan 0.000 0.438 559 L N -0.512 120.551 121.223 -0.266 0.000 2.005 559 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 559 L C 2.914 179.703 176.870 -0.134 0.000 1.072 559 L CA 1.565 56.203 54.840 -0.337 0.000 0.744 559 L CB -0.466 41.153 42.059 -0.732 0.000 0.895 559 L HN 0.251 nan 8.230 nan 0.000 0.433 560 M N -0.255 119.260 119.600 -0.142 0.000 2.296 560 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 560 M C 2.445 178.690 176.300 -0.091 0.000 1.064 560 M CA 1.675 56.918 55.300 -0.094 0.000 1.109 560 M CB -0.271 32.047 32.600 -0.469 0.000 1.396 560 M HN 0.313 nan 8.290 nan 0.000 0.430 561 S N -0.923 114.721 115.700 -0.094 0.000 2.402 561 S HA 0.098 4.568 4.470 -0.000 0.000 0.229 561 S C 1.844 176.373 174.600 -0.119 0.000 1.021 561 S CA 0.770 58.916 58.200 -0.090 0.000 0.974 561 S CB -1.174 61.987 63.200 -0.065 0.000 0.800 561 S HN 0.810 nan 8.310 nan 0.000 0.484 562 G N 0.800 109.534 108.800 -0.109 0.000 2.166 562 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 562 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 562 G C 0.750 175.519 174.900 -0.219 0.000 0.986 562 G CA 0.319 45.346 45.100 -0.123 0.000 0.683 562 G HN 1.341 nan 8.290 nan 0.000 0.527 563 A N -1.425 121.183 122.820 -0.353 0.000 2.169 563 A HA 0.654 4.974 4.320 -0.000 0.000 0.210 563 A C 0.592 177.676 177.584 -0.833 0.000 1.168 563 A CA 0.760 52.412 52.037 -0.642 0.000 0.813 563 A CB 0.273 18.758 19.000 -0.859 0.000 0.861 563 A HN 0.698 nan 8.150 nan 0.000 0.481 564 Y N -1.836 118.392 120.300 -0.120 0.000 2.524 564 Y HA 0.582 5.132 4.550 -0.000 0.000 0.344 564 Y C -0.427 175.389 175.900 -0.140 0.000 1.012 564 Y CA -1.214 56.815 58.100 -0.118 0.000 1.068 564 Y CB 2.102 40.536 38.460 -0.043 0.000 1.249 564 Y HN -0.205 nan 8.280 nan 0.000 0.468 565 V N 2.080 122.000 119.914 0.011 0.000 2.380 565 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 565 V C -0.321 175.721 176.094 -0.086 0.000 1.015 565 V CA -0.351 61.917 62.300 -0.053 0.000 0.834 565 V CB 1.278 33.061 31.823 -0.067 0.000 1.009 565 V HN 0.934 nan 8.190 nan 0.000 0.428 566 T N 2.039 116.516 114.554 -0.128 0.000 2.864 566 T HA 0.434 4.784 4.350 -0.000 0.000 0.289 566 T C -1.396 173.197 174.700 -0.177 0.000 1.082 566 T CA -0.452 61.535 62.100 -0.188 0.000 1.009 566 T CB 2.004 70.705 68.868 -0.279 0.000 1.234 566 T HN 0.703 nan 8.240 nan 0.000 0.526 567 D N 1.849 122.165 120.400 -0.139 0.000 2.380 567 D HA 0.304 4.944 4.640 -0.000 0.000 0.230 567 D C 1.526 177.766 176.300 -0.100 0.000 1.154 567 D CA -0.130 53.856 54.000 -0.022 0.000 0.859 567 D CB 0.267 41.179 40.800 0.188 0.000 1.045 567 D HN 0.410 nan 8.370 nan 0.000 0.495 568 L N 3.166 124.202 121.223 -0.311 0.000 2.012 568 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 568 L C 1.967 178.550 176.870 -0.479 0.000 1.073 568 L CA 1.025 55.392 54.840 -0.788 0.000 0.748 568 L CB -0.336 40.863 42.059 -1.434 0.000 0.891 568 L HN 0.540 nan 8.230 nan 0.000 0.431 569 F N -0.609 119.321 119.950 -0.033 0.000 2.069 569 F HA -0.331 4.196 4.527 -0.000 0.000 0.298 569 F C 2.408 178.436 175.800 0.380 0.000 1.113 569 F CA 1.673 59.914 58.000 0.402 0.000 1.214 569 F CB -0.318 38.992 39.000 0.516 0.000 0.978 569 F HN 0.226 nan 8.300 nan 0.000 0.474 570 W N -0.098 121.422 121.300 0.367 0.000 2.358 570 W HA -0.242 4.418 4.660 -0.000 0.000 0.303 570 W C 1.972 178.594 176.519 0.172 0.000 1.208 570 W CA 1.154 58.641 57.345 0.236 0.000 1.274 570 W CB -1.438 28.113 29.460 0.153 0.000 1.138 570 W HN 0.314 nan 8.180 nan 0.000 0.515 571 W N 0.284 121.565 121.300 -0.032 0.000 2.354 571 W HA -0.227 4.433 4.660 -0.000 0.000 0.315 571 W C 2.335 178.812 176.519 -0.070 0.000 1.206 571 W CA 2.815 60.016 57.345 -0.241 0.000 1.290 571 W CB -1.141 28.064 29.460 -0.426 0.000 1.152 571 W HN -0.214 nan 8.180 nan 0.000 0.489 572 F N 0.740 120.808 119.950 0.197 0.000 2.202 572 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 572 F C 2.363 178.199 175.800 0.060 0.000 1.082 572 F CA 1.871 59.910 58.000 0.064 0.000 1.313 572 F CB -1.336 37.697 39.000 0.055 0.000 1.024 572 F HN -0.090 nan 8.300 nan 0.000 0.495 573 K N 0.127 120.743 120.400 0.361 0.000 2.155 573 K HA -0.177 4.143 4.320 -0.000 0.000 0.203 573 K C 2.026 178.758 176.600 0.221 0.000 1.052 573 K CA 1.370 57.848 56.287 0.318 0.000 0.948 573 K CB -0.078 32.662 32.500 0.400 0.000 0.728 573 K HN 0.283 nan 8.250 nan 0.000 0.448 574 M N -0.281 119.393 119.600 0.124 0.000 2.288 574 M HA -0.027 4.453 4.480 -0.000 0.000 0.266 574 M C 1.341 177.638 176.300 -0.005 0.000 1.072 574 M CA 1.432 56.740 55.300 0.014 0.000 1.132 574 M CB -0.105 32.377 32.600 -0.196 0.000 1.386 574 M HN -0.066 nan 8.290 nan 0.000 0.432 575 I N 0.533 120.992 120.570 -0.186 0.000 2.193 575 I HA -0.127 4.043 4.170 -0.000 0.000 0.240 575 I C 2.405 178.502 176.117 -0.033 0.000 1.084 575 I CA 1.420 62.582 61.300 -0.230 0.000 1.365 575 I CB -1.246 36.495 38.000 -0.431 0.000 1.064 575 I HN 0.431 nan 8.210 nan 0.000 0.410 576 L N -0.228 121.013 121.223 0.030 0.000 2.145 576 L HA -0.032 4.308 4.340 -0.000 0.000 0.201 576 L C 1.863 178.785 176.870 0.087 0.000 1.075 576 L CA 0.887 55.757 54.840 0.050 0.000 0.773 576 L CB -0.645 41.446 42.059 0.053 0.000 0.936 576 L HN 0.072 nan 8.230 nan 0.000 0.451 577 D N -1.432 119.054 120.400 0.144 0.000 2.347 577 D HA -0.134 4.506 4.640 -0.000 0.000 0.215 577 D C 1.511 177.949 176.300 0.231 0.000 0.976 577 D CA 0.771 54.873 54.000 0.170 0.000 0.884 577 D CB 0.262 41.179 40.800 0.195 0.000 0.915 577 D HN 0.416 nan 8.370 nan 0.000 0.526 578 W N -0.385 120.930 121.300 0.024 0.000 2.974 578 W HA 0.059 4.719 4.660 -0.000 0.000 0.250 578 W C 1.951 178.481 176.519 0.019 0.000 1.074 578 W CA 0.647 58.013 57.345 0.034 0.000 1.410 578 W CB 0.143 29.640 29.460 0.061 0.000 0.846 578 W HN -0.109 nan 8.180 nan 0.000 0.680 579 S N 0.294 116.027 115.700 0.055 0.000 2.527 579 S HA 0.441 4.911 4.470 -0.000 0.000 0.227 579 S C 1.121 175.649 174.600 -0.119 0.000 1.059 579 S CA 0.326 58.521 58.200 -0.010 0.000 0.919 579 S CB -0.620 62.741 63.200 0.269 0.000 0.805 579 S HN 0.182 nan 8.310 nan 0.000 0.500 580 A N 1.908 124.671 122.820 -0.096 0.000 2.531 580 A HA 0.479 4.799 4.320 -0.000 0.000 0.236 580 A C 0.610 178.121 177.584 -0.122 0.000 1.062 580 A CA 0.190 52.154 52.037 -0.122 0.000 0.760 580 A CB -0.376 18.578 19.000 -0.076 0.000 0.995 580 A HN 0.667 nan 8.150 nan 0.000 0.501 581 Q N 0.000 119.711 119.800 -0.149 0.000 0.780 581 Q HA -0.162 4.178 4.340 -0.000 0.000 0.279 581 Q C -0.787 175.095 176.000 -0.197 0.000 1.071 581 Q CA 1.293 56.963 55.803 -0.222 0.000 0.548 581 Q CB -0.653 27.848 28.738 -0.395 0.000 4.943 581 Q HN 1.044 nan 8.270 nan 0.000 0.362 582 N N 0.333 118.885 118.700 -0.246 0.000 2.455 582 N HA 0.226 4.966 4.740 -0.000 0.000 0.285 582 N C 0.190 175.562 175.510 -0.229 0.000 1.080 582 N CA 0.162 53.096 53.050 -0.193 0.000 0.932 582 N CB 1.533 39.932 38.487 -0.147 0.000 1.610 582 N HN 0.648 nan 8.380 nan 0.000 0.493 583 R N 1.130 121.501 120.500 -0.215 0.000 2.113 583 R HA -0.174 4.166 4.340 -0.000 0.000 0.244 583 R C 1.204 177.365 176.300 -0.233 0.000 1.142 583 R CA 1.277 57.219 56.100 -0.264 0.000 0.953 583 R CB -0.134 30.003 30.300 -0.273 0.000 0.860 583 R HN 0.526 nan 8.270 nan 0.000 0.438 584 E N 0.917 121.015 120.200 -0.170 0.000 2.028 584 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 584 E C 1.900 178.449 176.600 -0.086 0.000 0.988 584 E CA 1.411 57.740 56.400 -0.118 0.000 0.799 584 E CB -0.027 29.618 29.700 -0.092 0.000 0.755 584 E HN 0.474 nan 8.360 nan 0.000 0.447 585 Q N 0.188 119.929 119.800 -0.099 0.000 2.466 585 Q HA -0.070 4.270 4.340 -0.000 0.000 0.210 585 Q C 0.947 176.895 176.000 -0.086 0.000 0.961 585 Q CA 0.583 56.342 55.803 -0.074 0.000 0.953 585 Q CB 0.042 28.733 28.738 -0.079 0.000 1.011 585 Q HN 0.120 nan 8.270 nan 0.000 0.516 586 K N -0.096 120.229 120.400 -0.124 0.000 2.537 586 K HA 0.146 4.466 4.320 -0.000 0.000 0.206 586 K C 0.205 176.907 176.600 0.171 0.000 1.041 586 K CA -0.017 56.184 56.287 -0.144 0.000 1.090 586 K CB 0.650 32.772 32.500 -0.631 0.000 0.833 586 K HN 0.088 nan 8.250 nan 0.000 0.493 587 L N -2.204 119.116 121.223 0.162 0.000 4.061 587 L HA 0.350 4.690 4.340 -0.000 0.000 0.403 587 L C 0.236 177.210 176.870 0.174 0.000 1.233 587 L CA -0.311 54.681 54.840 0.254 0.000 1.323 587 L CB -1.116 41.148 42.059 0.342 0.000 1.460 587 L HN 0.183 nan 8.230 nan 0.000 0.601 588 R N 1.774 122.345 120.500 0.118 0.000 3.517 588 R HA -0.318 4.022 4.340 -0.000 0.000 0.577 588 R C 0.849 177.253 176.300 0.173 0.000 0.241 588 R CA 2.765 58.934 56.100 0.114 0.000 1.784 588 R CB -1.582 28.758 30.300 0.068 0.000 0.850 588 R HN 0.649 nan 8.270 nan 0.000 0.625 589 D N 1.309 121.837 120.400 0.212 0.000 2.417 589 D HA -0.070 4.570 4.640 -0.000 0.000 0.240 589 D C 1.514 178.019 176.300 0.342 0.000 1.062 589 D CA 0.924 55.095 54.000 0.284 0.000 0.959 589 D CB -0.168 40.843 40.800 0.351 0.000 0.877 589 D HN 0.414 nan 8.370 nan 0.000 0.528 590 L N -1.429 119.985 121.223 0.319 0.000 2.731 590 L HA 0.228 4.568 4.340 -0.000 0.000 0.240 590 L C 1.795 178.788 176.870 0.205 0.000 1.120 590 L CA 0.017 55.026 54.840 0.282 0.000 0.913 590 L CB 0.176 42.444 42.059 0.348 0.000 1.213 590 L HN -0.066 nan 8.230 nan 0.000 0.515 591 K N 0.384 120.895 120.400 0.185 0.000 2.108 591 K HA 0.050 4.370 4.320 -0.000 0.000 0.204 591 K C 1.539 178.215 176.600 0.126 0.000 1.036 591 K CA 1.379 57.753 56.287 0.145 0.000 0.965 591 K CB 0.121 32.698 32.500 0.127 0.000 0.804 591 K HN 0.095 nan 8.250 nan 0.000 0.454 592 R N -1.630 118.938 120.500 0.113 0.000 1.181 592 R HA -0.203 4.137 4.340 -0.000 0.000 0.012 592 R C 1.324 177.702 176.300 0.129 0.000 0.961 592 R CA 2.215 58.383 56.100 0.114 0.000 1.988 592 R CB -2.178 28.199 30.300 0.129 0.000 0.117 592 R HN 0.247 nan 8.270 nan 0.000 0.732 593 S N 0.608 116.419 115.700 0.186 0.000 2.558 593 S HA 0.457 4.927 4.470 -0.000 0.000 0.217 593 S C 0.652 175.475 174.600 0.372 0.000 0.975 593 S CA 0.921 59.273 58.200 0.252 0.000 0.912 593 S CB 0.774 64.173 63.200 0.333 0.000 0.776 593 S HN 1.272 nan 8.310 nan 0.000 0.526 594 A N 0.451 123.431 122.820 0.267 0.000 2.791 594 A HA -0.042 4.278 4.320 -0.000 0.000 0.292 594 A C 0.411 178.172 177.584 0.295 0.000 1.487 594 A CA 0.680 52.877 52.037 0.267 0.000 0.760 594 A CB -2.062 17.085 19.000 0.246 0.000 1.031 594 A HN 0.826 nan 8.150 nan 0.000 0.503 595 A N -0.195 122.703 122.820 0.129 0.000 2.340 595 A HA 0.789 5.109 4.320 -0.000 0.000 0.331 595 A C 0.077 177.556 177.584 -0.176 0.000 1.140 595 A CA 0.069 51.966 52.037 -0.234 0.000 0.801 595 A CB 0.845 19.681 19.000 -0.274 0.000 1.234 595 A HN 1.034 nan 8.150 nan 0.000 0.469 596 E N 0.255 120.289 120.200 -0.276 0.000 2.393 596 E HA 0.798 5.148 4.350 -0.000 0.000 0.265 596 E C -1.358 175.083 176.600 -0.264 0.000 0.941 596 E CA -0.900 55.387 56.400 -0.188 0.000 0.801 596 E CB 1.897 31.536 29.700 -0.101 0.000 1.313 596 E HN 0.629 nan 8.360 nan 0.000 0.435 597 V N 0.053 119.819 119.914 -0.247 0.000 3.206 597 V HA 0.424 4.544 4.120 -0.000 0.000 0.305 597 V C -1.407 174.534 176.094 -0.255 0.000 1.257 597 V CA -0.774 61.331 62.300 -0.324 0.000 1.057 597 V CB 2.158 33.671 31.823 -0.517 0.000 1.075 597 V HN 0.740 nan 8.190 nan 0.000 0.443 598 I N 3.004 123.417 120.570 -0.262 0.000 3.083 598 I HA 0.478 4.648 4.170 -0.000 0.000 0.336 598 I C -0.463 175.511 176.117 -0.239 0.000 1.497 598 I CA -0.062 61.129 61.300 -0.181 0.000 0.936 598 I CB 0.266 38.202 38.000 -0.108 0.000 1.671 598 I HN 0.704 nan 8.210 nan 0.000 0.535 599 E N -0.184 119.805 120.200 -0.351 0.000 2.537 599 E HA 0.279 4.629 4.350 -0.000 0.000 0.301 599 E C -2.004 174.416 176.600 -0.301 0.000 0.990 599 E CA -0.863 55.347 56.400 -0.315 0.000 0.828 599 E CB 0.794 30.237 29.700 -0.429 0.000 1.243 599 E HN 0.190 nan 8.360 nan 0.000 0.414 612 R N 1.557 122.053 120.500 -0.008 0.000 2.091 612 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 612 R C 1.835 178.124 176.300 -0.017 0.000 1.136 612 R CA 2.393 58.479 56.100 -0.024 0.000 0.959 612 R CB -0.334 29.950 30.300 -0.027 0.000 0.856 612 R HN 0.765 nan 8.270 nan 0.000 0.437 613 N N 0.183 118.880 118.700 -0.004 0.000 2.309 613 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 613 N C 0.787 176.305 175.510 0.013 0.000 1.018 613 N CA 1.330 54.381 53.050 0.002 0.000 0.876 613 N CB -0.014 38.475 38.487 0.003 0.000 0.972 613 N HN 0.244 nan 8.380 nan 0.000 0.434 614 D N 0.526 120.938 120.400 0.021 0.000 2.103 614 D HA -0.013 4.627 4.640 -0.000 0.000 0.199 614 D C 1.778 178.116 176.300 0.064 0.000 0.978 614 D CA 0.639 54.661 54.000 0.038 0.000 0.829 614 D CB -0.158 40.666 40.800 0.040 0.000 0.981 614 D HN 0.163 nan 8.370 nan 0.000 0.464 615 L N 0.570 121.836 121.223 0.071 0.000 2.046 615 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 615 L C 2.358 179.268 176.870 0.067 0.000 1.077 615 L CA 0.804 55.711 54.840 0.111 0.000 0.747 615 L CB -0.746 41.377 42.059 0.107 0.000 0.896 615 L HN 0.170 nan 8.230 nan 0.000 0.432 616 I N -1.869 118.712 120.570 0.019 0.000 2.394 616 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 616 I C 2.630 178.778 176.117 0.053 0.000 1.136 616 I CA 1.483 62.796 61.300 0.022 0.000 1.425 616 I CB -0.839 37.162 38.000 0.001 0.000 1.079 616 I HN 0.008 nan 8.210 nan 0.000 0.425 617 A N 1.334 124.183 122.820 0.049 0.000 1.902 617 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 617 A C 2.575 180.208 177.584 0.081 0.000 1.181 617 A CA 2.071 54.138 52.037 0.049 0.000 0.623 617 A CB -1.270 17.747 19.000 0.028 0.000 0.818 617 A HN 0.601 nan 8.150 nan 0.000 0.443 618 A N -0.461 122.425 122.820 0.110 0.000 1.877 618 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 618 A C 2.048 179.772 177.584 0.234 0.000 1.186 618 A CA 1.658 53.804 52.037 0.181 0.000 0.620 618 A CB -0.543 18.567 19.000 0.183 0.000 0.822 618 A HN 0.382 nan 8.150 nan 0.000 0.443 619 L N -0.314 121.013 121.223 0.173 0.000 2.046 619 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 619 L C 2.630 179.630 176.870 0.216 0.000 1.077 619 L CA 1.759 56.711 54.840 0.186 0.000 0.747 619 L CB -1.336 40.809 42.059 0.144 0.000 0.896 619 L HN 0.433 nan 8.230 nan 0.000 0.432 620 R N -0.474 120.118 120.500 0.153 0.000 2.081 620 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 620 R C 2.106 178.489 176.300 0.139 0.000 1.131 620 R CA 1.304 57.476 56.100 0.121 0.000 0.960 620 R CB -0.136 30.209 30.300 0.076 0.000 0.856 620 R HN 0.219 nan 8.270 nan 0.000 0.436 621 E N 0.006 120.306 120.200 0.167 0.000 2.153 621 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 621 E C 1.563 178.350 176.600 0.312 0.000 0.988 621 E CA 1.148 57.659 56.400 0.186 0.000 0.811 621 E CB -0.224 29.541 29.700 0.108 0.000 0.746 621 E HN 0.344 nan 8.360 nan 0.000 0.466 622 Y N 1.393 121.829 120.300 0.227 0.000 2.153 622 Y HA -0.162 4.388 4.550 -0.000 0.000 0.289 622 Y C 2.039 177.980 175.900 0.069 0.000 1.127 622 Y CA 2.438 60.615 58.100 0.128 0.000 1.131 622 Y CB -0.229 38.259 38.460 0.046 0.000 0.995 622 Y HN 0.060 nan 8.280 nan 0.000 0.505 623 K N -0.211 120.265 120.400 0.126 0.000 2.211 623 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 623 K C 2.194 178.777 176.600 -0.029 0.000 1.050 623 K CA 1.176 57.475 56.287 0.020 0.000 0.945 623 K CB -0.297 32.272 32.500 0.115 0.000 0.732 623 K HN 0.106 nan 8.250 nan 0.000 0.451 624 R N 1.280 121.787 120.500 0.012 0.000 2.148 624 R HA 0.030 4.370 4.340 -0.000 0.000 0.227 624 R C 1.534 177.819 176.300 -0.025 0.000 1.103 624 R CA 1.076 57.178 56.100 0.005 0.000 0.983 624 R CB 0.076 30.395 30.300 0.031 0.000 0.874 624 R HN 0.282 nan 8.270 nan 0.000 0.451 625 K N -0.029 120.336 120.400 -0.057 0.000 2.365 625 K HA 0.056 4.376 4.320 -0.000 0.000 0.197 625 K C 0.441 176.946 176.600 -0.157 0.000 1.042 625 K CA 0.619 56.854 56.287 -0.087 0.000 0.987 625 K CB 0.304 32.765 32.500 -0.065 0.000 0.779 625 K HN 0.175 nan 8.250 nan 0.000 0.484 626 M N -1.258 118.212 119.600 -0.217 0.000 2.284 626 M HA 0.357 4.837 4.480 -0.000 0.000 0.229 626 M C -0.500 175.723 176.300 -0.128 0.000 0.984 626 M CA -0.699 54.487 55.300 -0.190 0.000 1.016 626 M CB 1.494 33.938 32.600 -0.260 0.000 2.379 626 M HN -0.154 nan 8.290 nan 0.000 0.459 627 G N 2.088 110.848 108.800 -0.066 0.000 2.521 627 G HA2 0.744 4.704 3.960 -0.000 0.000 0.323 627 G HA3 0.744 4.704 3.960 -0.000 0.000 0.323 627 G C 0.317 175.204 174.900 -0.022 0.000 1.211 627 G CA -0.793 44.289 45.100 -0.030 0.000 0.979 627 G HN 0.970 nan 8.290 nan 0.000 0.490 628 M N -1.756 117.840 119.600 -0.006 0.000 2.780 628 M HA -0.237 4.243 4.480 -0.000 0.000 0.127 628 M C 1.203 177.504 176.300 0.002 0.000 0.722 628 M CA 1.911 57.210 55.300 -0.001 0.000 0.488 628 M CB -0.761 31.837 32.600 -0.005 0.000 1.807 628 M HN 0.509 nan 8.290 nan 0.000 0.249 629 R N 2.851 123.347 120.500 -0.007 0.000 3.152 629 R HA 0.235 4.575 4.340 -0.000 0.000 0.209 629 R C -0.175 176.128 176.300 0.005 0.000 1.649 629 R CA 0.493 56.592 56.100 -0.002 0.000 1.185 629 R CB -0.436 29.853 30.300 -0.019 0.000 1.258 629 R HN 0.447 nan 8.270 nan 0.000 0.656 630 E N -1.248 118.967 120.200 0.026 0.000 8.509 630 E HA -0.141 4.209 4.350 -0.000 0.000 0.546 630 E C 0.313 176.935 176.600 0.038 0.000 1.431 630 E CA 0.356 56.783 56.400 0.046 0.000 2.652 630 E CB -0.940 28.817 29.700 0.095 0.000 0.972 630 E HN 0.610 nan 8.360 nan 0.000 0.264 631 G N -0.445 108.391 108.800 0.059 0.000 3.342 631 G HA2 0.486 4.446 3.960 -0.000 0.000 0.252 631 G HA3 0.486 4.446 3.960 -0.000 0.000 0.252 631 G C 0.868 175.810 174.900 0.069 0.000 1.011 631 G CA 1.120 46.278 45.100 0.096 0.000 0.869 631 G HN 1.212 nan 8.290 nan 0.000 0.514 632 A N 0.116 122.959 122.820 0.038 0.000 1.280 632 A HA -0.328 3.992 4.320 -0.000 0.000 0.322 632 A C 1.739 179.346 177.584 0.038 0.000 1.411 632 A CA 3.011 55.062 52.037 0.024 0.000 1.093 632 A CB -1.478 17.518 19.000 -0.006 0.000 1.471 632 A HN 1.284 nan 8.150 nan 0.000 0.723 633 S N -3.576 112.167 115.700 0.072 0.000 1.936 633 S HA 0.260 4.730 4.470 -0.000 0.000 0.184 633 S C 0.804 175.564 174.600 0.268 0.000 0.757 633 S CA 0.804 59.033 58.200 0.049 0.000 1.740 633 S CB -0.680 62.540 63.200 0.033 0.000 1.156 633 S HN 1.412 nan 8.310 nan 0.000 0.474 634 I N 1.882 122.700 120.570 0.413 0.000 4.907 634 I HA -0.495 3.675 4.170 -0.000 0.000 0.038 634 I C 1.303 177.523 176.117 0.171 0.000 0.635 634 I CA 1.997 63.446 61.300 0.249 0.000 0.208 634 I CB -0.952 37.166 38.000 0.197 0.000 0.321 634 I HN 0.286 nan 8.210 nan 0.000 0.150 635 D N 0.510 120.964 120.400 0.090 0.000 2.172 635 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 635 D C 2.003 178.300 176.300 -0.004 0.000 0.999 635 D CA 2.021 56.045 54.000 0.039 0.000 0.856 635 D CB -0.315 40.495 40.800 0.017 0.000 0.934 635 D HN 0.454 nan 8.370 nan 0.000 0.453 636 S N -0.619 115.047 115.700 -0.056 0.000 2.353 636 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 636 S C 1.801 176.263 174.600 -0.230 0.000 1.035 636 S CA 1.266 59.348 58.200 -0.197 0.000 1.025 636 S CB -0.347 62.647 63.200 -0.344 0.000 0.902 636 S HN 0.389 nan 8.310 nan 0.000 0.440 637 W N 1.293 122.566 121.300 -0.044 0.000 2.436 637 W HA 0.168 4.828 4.660 -0.000 0.000 0.284 637 W C 2.092 178.528 176.519 -0.138 0.000 1.225 637 W CA -0.084 57.211 57.345 -0.084 0.000 1.271 637 W CB -0.413 29.064 29.460 0.029 0.000 1.114 637 W HN 0.267 nan 8.180 nan 0.000 0.559 638 L N 0.250 121.548 121.223 0.125 0.000 1.994 638 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 638 L C 2.089 178.959 176.870 -0.000 0.000 1.071 638 L CA 1.511 56.377 54.840 0.043 0.000 0.745 638 L CB -0.734 41.356 42.059 0.053 0.000 0.892 638 L HN -0.008 nan 8.230 nan 0.000 0.431 639 E N -0.280 119.911 120.200 -0.015 0.000 2.516 639 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 639 E C 1.910 178.492 176.600 -0.030 0.000 1.069 639 E CA 0.345 56.721 56.400 -0.039 0.000 0.876 639 E CB 0.149 29.812 29.700 -0.062 0.000 0.843 639 E HN 0.450 nan 8.360 nan 0.000 0.530 640 L N 0.068 121.271 121.223 -0.032 0.000 2.286 640 L HA -0.040 4.300 4.340 -0.000 0.000 0.203 640 L C 1.817 178.676 176.870 -0.019 0.000 1.068 640 L CA 0.303 55.129 54.840 -0.023 0.000 0.811 640 L CB 0.209 42.216 42.059 -0.086 0.000 0.989 640 L HN 0.099 nan 8.230 nan 0.000 0.467 641 L N 0.830 122.006 121.223 -0.079 0.000 2.109 641 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 641 L C 2.207 179.057 176.870 -0.033 0.000 1.086 641 L CA 1.501 56.269 54.840 -0.120 0.000 0.760 641 L CB -1.188 40.733 42.059 -0.231 0.000 0.910 641 L HN 0.467 nan 8.230 nan 0.000 0.437 642 R N -2.003 118.499 120.500 0.003 0.000 2.541 642 R HA 0.026 4.366 4.340 -0.000 0.000 0.245 642 R C 0.910 177.296 176.300 0.143 0.000 1.154 642 R CA 0.335 56.461 56.100 0.043 0.000 1.179 642 R CB -0.256 30.058 30.300 0.024 0.000 1.189 642 R HN 0.459 nan 8.270 nan 0.000 0.526 643 H N -0.893 118.164 119.070 -0.021 0.000 1.785 643 H HA 0.072 4.628 4.556 -0.000 0.000 0.135 643 H C -0.098 175.233 175.328 0.004 0.000 1.141 643 H CA 0.183 56.228 56.048 -0.006 0.000 1.104 643 H CB 0.557 30.317 29.762 -0.004 0.000 0.672 643 H HN 0.064 nan 8.280 nan 0.000 0.274 644 L N 0.000 121.274 121.223 0.085 0.000 2.949 644 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 644 L CA 0.000 54.869 54.840 0.048 0.000 0.813 644 L CB 0.000 42.076 42.059 0.028 0.000 0.961 644 L HN 0.000 nan 8.230 nan 0.000 0.502