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 2r5h_1_J DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.614 177.584 0.051 0.000 1.274 20 A CA 0.000 52.049 52.037 0.021 0.000 0.836 20 A CB 0.000 19.023 19.000 0.038 0.000 0.831 21 V N 2.229 122.088 119.914 -0.092 0.000 2.630 21 V HA 0.818 4.938 4.120 0.000 0.000 0.305 21 V C 0.151 176.174 176.094 -0.119 0.000 1.046 21 V CA -0.121 62.090 62.300 -0.148 0.000 0.934 21 V CB 1.694 33.121 31.823 -0.659 0.000 1.003 21 V HN 1.623 nan 8.190 nan 0.000 0.451 22 V N 0.628 120.612 119.914 0.117 0.000 3.049 22 V HA 0.664 4.784 4.120 0.000 0.000 0.309 22 V C -0.033 176.380 176.094 0.531 0.000 1.148 22 V CA -0.880 61.584 62.300 0.272 0.000 0.990 22 V CB 1.754 33.657 31.823 0.134 0.000 1.039 22 V HN 0.825 nan 8.190 nan 0.000 0.430 23 S N 1.816 117.832 115.700 0.526 0.000 2.673 23 S HA 0.016 4.486 4.470 0.000 0.000 0.308 23 S C 1.678 176.389 174.600 0.186 0.000 1.246 23 S CA 0.542 58.946 58.200 0.339 0.000 1.077 23 S CB 0.291 63.575 63.200 0.140 0.000 0.814 23 S HN 1.790 nan 8.310 nan 0.000 0.503 24 T N 2.244 116.850 114.554 0.087 0.000 2.778 24 T HA -0.181 4.169 4.350 0.000 0.000 0.269 24 T C 1.203 175.662 174.700 -0.402 0.000 1.050 24 T CA 1.615 63.438 62.100 -0.462 0.000 1.137 24 T CB -0.579 68.189 68.868 -0.166 0.000 0.860 24 T HN 0.664 nan 8.240 nan 0.000 0.468 25 D N 1.416 121.735 120.400 -0.135 0.000 2.239 25 D HA -0.099 4.541 4.640 0.000 0.000 0.202 25 D C 2.137 178.386 176.300 -0.085 0.000 0.993 25 D CA 0.981 54.924 54.000 -0.095 0.000 0.874 25 D CB -0.169 40.613 40.800 -0.031 0.000 0.922 25 D HN 0.661 nan 8.370 nan 0.000 0.464 26 E N -0.369 119.795 120.200 -0.061 0.000 1.999 26 E HA -0.171 4.179 4.350 0.000 0.000 0.194 26 E C 1.920 178.535 176.600 0.025 0.000 0.995 26 E CA 0.934 57.346 56.400 0.019 0.000 0.825 26 E CB -0.424 29.351 29.700 0.125 0.000 0.777 26 E HN 0.529 nan 8.360 nan 0.000 0.459 27 Y N -0.079 120.244 120.300 0.039 0.000 2.502 27 Y HA 0.304 4.854 4.550 0.000 0.000 0.295 27 Y C 0.049 176.030 175.900 0.136 0.000 1.193 27 Y CA -0.369 57.771 58.100 0.066 0.000 1.295 27 Y CB -0.071 38.409 38.460 0.033 0.000 1.059 27 Y HN -0.289 nan 8.280 nan 0.000 0.514 28 V N 1.057 120.840 119.914 -0.218 0.000 2.769 28 V HA 0.851 4.971 4.120 0.000 0.000 0.312 28 V C -0.289 175.765 176.094 -0.066 0.000 1.061 28 V CA -1.079 61.157 62.300 -0.106 0.000 0.931 28 V CB 1.456 33.168 31.823 -0.185 0.000 1.010 28 V HN 0.323 nan 8.190 nan 0.000 0.433 29 A N 3.872 126.672 122.820 -0.034 0.000 2.330 29 A HA 0.824 5.144 4.320 0.000 0.000 0.313 29 A C -0.383 177.164 177.584 -0.061 0.000 1.124 29 A CA -0.755 51.261 52.037 -0.034 0.000 0.774 29 A CB 1.003 19.999 19.000 -0.007 0.000 1.198 29 A HN 0.831 nan 8.150 nan 0.000 0.465 30 R N 1.583 122.046 120.500 -0.061 0.000 2.229 30 R HA 0.464 4.804 4.340 0.000 0.000 0.332 30 R C 0.495 176.729 176.300 -0.110 0.000 0.989 30 R CA -0.149 55.899 56.100 -0.087 0.000 0.842 30 R CB 1.508 31.771 30.300 -0.062 0.000 1.119 30 R HN 0.867 nan 8.270 nan 0.000 0.456 31 T N -1.050 113.401 114.554 -0.172 0.000 2.824 31 T HA 0.146 4.496 4.350 0.000 0.000 0.277 31 T C 0.472 175.012 174.700 -0.266 0.000 0.975 31 T CA -0.691 61.286 62.100 -0.206 0.000 0.966 31 T CB 0.899 69.579 68.868 -0.314 0.000 1.054 31 T HN 0.555 nan 8.240 nan 0.000 0.533 32 N N 0.740 119.298 118.700 -0.237 0.000 2.761 32 N HA 0.270 5.010 4.740 0.000 0.000 0.317 32 N C -1.033 174.319 175.510 -0.264 0.000 1.546 32 N CA -0.339 52.562 53.050 -0.248 0.000 1.015 32 N CB 0.121 38.564 38.487 -0.072 0.000 1.343 32 N HN 0.450 nan 8.380 nan 0.000 0.504 33 I N 2.040 122.378 120.570 -0.387 0.000 2.382 33 I HA 0.273 4.443 4.170 0.000 0.000 0.286 33 I C -0.748 175.313 176.117 -0.093 0.000 1.002 33 I CA -0.485 60.705 61.300 -0.182 0.000 1.135 33 I CB 0.571 38.447 38.000 -0.206 0.000 1.288 33 I HN 0.119 nan 8.210 nan 0.000 0.448 34 Y N 5.777 126.237 120.300 0.267 0.000 2.364 34 Y HA 0.494 5.044 4.550 0.000 0.000 0.340 34 Y C -0.526 175.606 175.900 0.386 0.000 0.975 34 Y CA -0.676 57.647 58.100 0.371 0.000 1.089 34 Y CB 2.090 40.753 38.460 0.340 0.000 1.192 34 Y HN 0.367 nan 8.280 nan 0.000 0.454 35 Y N 1.285 121.939 120.300 0.590 0.000 2.549 35 Y HA 0.339 4.889 4.550 0.000 0.000 0.339 35 Y C -0.229 175.824 175.900 0.256 0.000 1.053 35 Y CA -1.011 57.352 58.100 0.439 0.000 1.105 35 Y CB 1.462 40.209 38.460 0.479 0.000 1.258 35 Y HN 0.523 nan 8.280 nan 0.000 0.478 36 H N 1.459 120.655 119.070 0.210 0.000 2.457 36 H HA 0.834 5.390 4.556 0.000 0.000 0.335 36 H C -1.643 173.508 175.328 -0.295 0.000 1.115 36 H CA -0.480 55.533 56.048 -0.058 0.000 1.219 36 H CB 1.335 31.069 29.762 -0.048 0.000 1.471 36 H HN 0.815 nan 8.280 nan 0.000 0.491 37 A N 2.770 125.030 122.820 -0.934 0.000 2.589 37 A HA 0.659 4.979 4.320 0.000 0.000 0.296 37 A C -0.941 176.339 177.584 -0.506 0.000 1.062 37 A CA -0.057 51.619 52.037 -0.601 0.000 0.686 37 A CB 1.708 20.273 19.000 -0.726 0.000 1.282 37 A HN 1.002 nan 8.150 nan 0.000 0.404 38 G N 0.517 109.165 108.800 -0.253 0.000 2.318 38 G HA2 0.589 4.549 3.960 0.000 0.000 0.306 38 G HA3 0.589 4.549 3.960 0.000 0.000 0.306 38 G C -0.412 174.475 174.900 -0.022 0.000 1.696 38 G CA 0.220 45.267 45.100 -0.088 0.000 0.905 38 G HN 1.860 nan 8.290 nan 0.000 0.700 39 T N -0.284 114.278 114.554 0.012 0.000 2.928 39 T HA 0.375 4.725 4.350 0.000 0.000 0.305 39 T C 1.882 176.607 174.700 0.041 0.000 1.035 39 T CA 0.836 62.957 62.100 0.036 0.000 1.145 39 T CB 1.334 70.220 68.868 0.031 0.000 0.963 39 T HN 1.678 nan 8.240 nan 0.000 0.545 40 S N 2.709 118.449 115.700 0.066 0.000 2.406 40 S HA -0.021 4.449 4.470 0.000 0.000 0.228 40 S C 0.967 175.607 174.600 0.066 0.000 1.020 40 S CA 0.210 58.454 58.200 0.074 0.000 0.965 40 S CB -0.337 62.914 63.200 0.086 0.000 0.798 40 S HN 0.970 nan 8.310 nan 0.000 0.488 41 R N 0.150 120.697 120.500 0.079 0.000 3.776 41 R HA 0.186 4.526 4.340 0.000 0.000 0.314 41 R C -1.723 174.657 176.300 0.134 0.000 0.920 41 R CA -0.250 55.902 56.100 0.087 0.000 1.117 41 R CB -0.133 30.213 30.300 0.077 0.000 1.365 41 R HN 0.337 nan 8.270 nan 0.000 0.437 42 L N 3.552 124.862 121.223 0.144 0.000 2.464 42 L HA 0.416 4.756 4.340 0.000 0.000 0.264 42 L C -0.192 176.869 176.870 0.317 0.000 1.199 42 L CA -0.309 54.684 54.840 0.254 0.000 0.818 42 L CB 0.468 42.567 42.059 0.067 0.000 1.102 42 L HN 0.436 nan 8.230 nan 0.000 0.473 43 L N 1.404 122.888 121.223 0.435 0.000 2.505 43 L HA 0.759 5.099 4.340 0.000 0.000 0.259 43 L C -0.853 176.204 176.870 0.310 0.000 0.952 43 L CA -0.055 54.968 54.840 0.306 0.000 0.840 43 L CB 1.974 44.138 42.059 0.174 0.000 1.358 43 L HN 0.709 nan 8.230 nan 0.000 0.409 44 A N 2.538 125.490 122.820 0.219 0.000 2.479 44 A HA 0.989 5.309 4.320 0.000 0.000 0.296 44 A C -1.684 175.910 177.584 0.016 0.000 1.121 44 A CA -0.648 51.442 52.037 0.088 0.000 0.743 44 A CB 2.223 21.286 19.000 0.106 0.000 1.323 44 A HN 0.592 nan 8.150 nan 0.000 0.415 45 V N 0.603 120.505 119.914 -0.021 0.000 2.781 45 V HA 0.622 4.742 4.120 0.000 0.000 0.289 45 V C 0.312 176.400 176.094 -0.011 0.000 1.275 45 V CA 0.355 62.644 62.300 -0.018 0.000 0.936 45 V CB 1.365 33.188 31.823 0.000 0.000 1.074 45 V HN 1.774 nan 8.190 nan 0.000 0.444 46 G N 2.769 111.570 108.800 0.002 0.000 2.933 46 G HA2 0.486 4.446 3.960 0.000 0.000 0.203 46 G HA3 0.486 4.446 3.960 0.000 0.000 0.203 46 G C -1.390 173.545 174.900 0.058 0.000 1.170 46 G CA -0.316 44.803 45.100 0.032 0.000 0.880 46 G HN 0.634 nan 8.290 nan 0.000 0.573 47 H N 1.479 120.529 119.070 -0.033 0.000 2.489 47 H HA 0.406 4.962 4.556 0.000 0.000 0.343 47 H C -1.728 173.524 175.328 -0.126 0.000 1.086 47 H CA -1.801 54.195 56.048 -0.086 0.000 1.198 47 H CB 3.065 32.710 29.762 -0.195 0.000 1.490 47 H HN 0.130 nan 8.280 nan 0.000 0.504 48 P HA -0.078 nan 4.420 nan 0.000 0.230 48 P C -0.067 176.953 177.300 -0.466 0.000 1.158 48 P CA 1.147 63.979 63.100 -0.446 0.000 0.769 48 P CB 0.212 31.486 31.700 -0.711 0.000 0.807 49 Y N -0.995 119.387 120.300 0.137 0.000 2.723 49 Y HA 0.291 4.841 4.550 0.000 0.000 0.272 49 Y C 1.182 177.175 175.900 0.156 0.000 1.142 49 Y CA -0.524 57.669 58.100 0.156 0.000 1.217 49 Y CB 0.003 38.587 38.460 0.206 0.000 1.391 49 Y HN -0.185 nan 8.280 nan 0.000 0.479 50 F N -1.106 119.086 119.950 0.404 0.000 2.685 50 F HA 0.828 5.355 4.527 0.000 0.000 0.315 50 F C -3.378 172.452 175.800 0.050 0.000 1.126 50 F CA -3.404 54.679 58.000 0.138 0.000 0.950 50 F CB 0.874 39.894 39.000 0.033 0.000 1.360 50 F HN -0.364 nan 8.300 nan 0.000 0.469 51 P HA 0.284 nan 4.420 nan 0.000 0.287 51 P C -0.656 176.769 177.300 0.208 0.000 1.281 51 P CA 0.083 63.283 63.100 0.167 0.000 0.781 51 P CB 1.364 33.134 31.700 0.117 0.000 0.903 52 I N 4.713 125.363 120.570 0.134 0.000 2.329 52 I HA 0.103 4.273 4.170 0.000 0.000 0.295 52 I C 1.338 177.507 176.117 0.086 0.000 1.109 52 I CA 0.389 61.770 61.300 0.136 0.000 1.297 52 I CB -0.472 37.598 38.000 0.118 0.000 1.433 52 I HN 0.330 nan 8.210 nan 0.000 0.509 53 K N 4.566 125.007 120.400 0.069 0.000 2.280 53 K HA 0.653 4.973 4.320 0.000 0.000 0.234 53 K C -0.235 176.382 176.600 0.027 0.000 1.028 53 K CA -1.316 54.993 56.287 0.038 0.000 0.882 53 K CB 1.094 33.609 32.500 0.025 0.000 1.194 53 K HN 0.079 nan 8.250 nan 0.000 0.458 54 K N 1.051 121.461 120.400 0.016 0.000 2.380 54 K HA 0.040 4.360 4.320 0.000 0.000 0.267 54 K C -1.638 174.964 176.600 0.004 0.000 0.990 54 K CA -1.147 55.147 56.287 0.012 0.000 0.946 54 K CB 0.422 32.925 32.500 0.006 0.000 0.937 54 K HN 0.387 nan 8.250 nan 0.000 0.491 55 P HA -0.185 nan 4.420 nan 0.000 0.216 55 P C -0.345 176.948 177.300 -0.012 0.000 1.150 55 P CA 1.829 64.925 63.100 -0.007 0.000 0.843 55 P CB 0.033 31.730 31.700 -0.005 0.000 0.787 56 N N -0.642 118.053 118.700 -0.008 0.000 2.607 56 N HA -0.050 4.690 4.740 0.000 0.000 0.207 56 N C 0.858 176.362 175.510 -0.009 0.000 1.040 56 N CA -0.142 52.902 53.050 -0.010 0.000 0.947 56 N CB -1.556 36.926 38.487 -0.008 0.000 1.293 56 N HN 0.056 nan 8.380 nan 0.000 0.446 57 N N 1.042 119.739 118.700 -0.006 0.000 2.267 57 N HA -0.070 4.670 4.740 0.000 0.000 0.226 57 N C -0.337 175.169 175.510 -0.006 0.000 1.314 57 N CA 0.203 53.250 53.050 -0.006 0.000 0.887 57 N CB 0.231 38.716 38.487 -0.004 0.000 1.120 57 N HN 0.427 nan 8.380 nan 0.000 0.440 58 N N 0.343 119.039 118.700 -0.007 0.000 2.480 58 N HA 0.076 4.816 4.740 0.000 0.000 0.281 58 N C -1.023 174.483 175.510 -0.006 0.000 1.381 58 N CA -0.310 52.736 53.050 -0.006 0.000 0.903 58 N CB 0.272 38.754 38.487 -0.010 0.000 1.274 58 N HN 0.449 nan 8.380 nan 0.000 0.505 59 K N 1.912 122.309 120.400 -0.004 0.000 2.213 59 K HA 0.291 4.611 4.320 0.000 0.000 0.270 59 K C 0.109 176.711 176.600 0.002 0.000 1.002 59 K CA -0.653 55.631 56.287 -0.005 0.000 0.868 59 K CB 1.260 33.756 32.500 -0.007 0.000 1.093 59 K HN 0.316 nan 8.250 nan 0.000 0.454 60 I N 4.071 124.642 120.570 0.002 0.000 2.311 60 I HA 0.046 4.216 4.170 0.000 0.000 0.297 60 I C 1.093 177.215 176.117 0.008 0.000 1.131 60 I CA -0.475 60.832 61.300 0.012 0.000 1.289 60 I CB 0.301 38.306 38.000 0.007 0.000 1.446 60 I HN 0.574 nan 8.210 nan 0.000 0.524 61 L N 7.102 128.335 121.223 0.016 0.000 2.191 61 L HA 0.172 4.512 4.340 0.000 0.000 0.212 61 L C 0.276 177.154 176.870 0.013 0.000 1.103 61 L CA 1.518 56.365 54.840 0.012 0.000 0.769 61 L CB 0.078 42.149 42.059 0.020 0.000 0.908 61 L HN 0.506 nan 8.230 nan 0.000 0.438 62 V N 1.255 121.185 119.914 0.026 0.000 2.733 62 V HA 0.518 4.638 4.120 0.000 0.000 0.306 62 V C -2.485 173.630 176.094 0.035 0.000 1.084 62 V CA -1.032 61.286 62.300 0.030 0.000 0.905 62 V CB 2.175 34.029 31.823 0.051 0.000 1.010 62 V HN 0.086 nan 8.190 nan 0.000 0.424 63 P HA 0.372 nan 4.420 nan 0.000 0.287 63 P C -1.195 176.125 177.300 0.034 0.000 1.292 63 P CA -1.012 62.097 63.100 0.016 0.000 0.879 63 P CB 1.533 33.219 31.700 -0.024 0.000 1.214 64 K N 0.765 121.189 120.400 0.039 0.000 2.382 64 K HA 0.235 4.556 4.320 0.000 0.000 0.286 64 K C -0.873 175.743 176.600 0.026 0.000 1.062 64 K CA 0.042 56.360 56.287 0.052 0.000 1.000 64 K CB -0.303 32.239 32.500 0.069 0.000 0.954 64 K HN 0.205 nan 8.250 nan 0.000 0.470 65 V N 3.981 123.912 119.914 0.027 0.000 2.340 65 V HA 0.131 4.251 4.120 0.000 0.000 0.277 65 V C -0.234 175.884 176.094 0.041 0.000 1.017 65 V CA -0.552 61.748 62.300 0.000 0.000 0.820 65 V CB 1.044 32.841 31.823 -0.044 0.000 1.028 65 V HN 0.795 nan 8.190 nan 0.000 0.436 66 S N 3.249 119.005 115.700 0.093 0.000 2.671 66 S HA 0.697 5.167 4.470 0.000 0.000 0.299 66 S C 0.872 175.593 174.600 0.201 0.000 1.116 66 S CA 0.085 58.445 58.200 0.267 0.000 0.912 66 S CB 2.105 65.367 63.200 0.102 0.000 1.130 66 S HN 0.815 nan 8.310 nan 0.000 0.501 67 G N 0.636 109.650 108.800 0.357 0.000 3.414 67 G HA2 0.409 4.369 3.960 0.000 0.000 0.258 67 G HA3 0.409 4.369 3.960 0.000 0.000 0.258 67 G C 0.074 175.042 174.900 0.112 0.000 1.348 67 G CA -0.077 45.164 45.100 0.235 0.000 1.319 67 G HN 0.645 nan 8.290 nan 0.000 0.555 68 L N -0.979 120.291 121.223 0.080 0.000 3.606 68 L HA 0.266 4.606 4.340 0.000 0.000 0.336 68 L C 0.235 177.112 176.870 0.011 0.000 1.300 68 L CA -0.114 54.738 54.840 0.021 0.000 1.050 68 L CB 0.465 42.531 42.059 0.010 0.000 1.439 68 L HN 0.140 nan 8.230 nan 0.000 0.621 69 Q N -0.704 119.120 119.800 0.040 0.000 2.348 69 Q HA 0.495 4.835 4.340 0.000 0.000 0.271 69 Q C -1.445 174.611 176.000 0.093 0.000 1.067 69 Q CA -0.905 54.948 55.803 0.085 0.000 0.839 69 Q CB 2.086 30.879 28.738 0.092 0.000 1.354 69 Q HN -0.040 nan 8.270 nan 0.000 0.447 70 Y N 0.763 121.094 120.300 0.052 0.000 2.316 70 Y HA 0.202 4.752 4.550 0.000 0.000 0.331 70 Y C 0.357 176.298 175.900 0.068 0.000 1.083 70 Y CA -0.374 57.767 58.100 0.068 0.000 1.206 70 Y CB 0.917 39.401 38.460 0.040 0.000 1.195 70 Y HN 0.237 nan 8.280 nan 0.000 0.497 71 R N 3.427 124.062 120.500 0.224 0.000 2.391 71 R HA 0.249 4.589 4.340 0.000 0.000 0.310 71 R C -1.199 175.182 176.300 0.135 0.000 1.174 71 R CA -0.466 55.697 56.100 0.103 0.000 1.118 71 R CB 0.362 30.680 30.300 0.030 0.000 1.134 71 R HN 0.411 nan 8.270 nan 0.000 0.524 72 V N 5.828 125.805 119.914 0.104 0.000 2.326 72 V HA 0.107 4.227 4.120 0.000 0.000 0.249 72 V C 0.341 176.502 176.094 0.112 0.000 1.114 72 V CA -0.130 62.251 62.300 0.135 0.000 1.028 72 V CB -0.833 31.077 31.823 0.146 0.000 1.170 72 V HN 0.349 nan 8.190 nan 0.000 0.494 73 F N 3.342 123.339 119.950 0.079 0.000 2.471 73 F HA 0.436 4.963 4.527 0.000 0.000 0.353 73 F C 0.829 176.775 175.800 0.242 0.000 1.113 73 F CA -0.336 57.726 58.000 0.103 0.000 1.262 73 F CB 0.517 39.482 39.000 -0.058 0.000 1.146 73 F HN 0.315 nan 8.300 nan 0.000 0.578 74 R N 3.220 123.973 120.500 0.421 0.000 2.246 74 R HA 0.568 4.908 4.340 0.000 0.000 0.332 74 R C -1.466 174.782 176.300 -0.086 0.000 0.974 74 R CA -0.430 55.837 56.100 0.278 0.000 0.837 74 R CB 0.235 30.724 30.300 0.315 0.000 1.145 74 R HN 0.579 nan 8.270 nan 0.000 0.467 75 I N 4.186 124.622 120.570 -0.223 0.000 2.365 75 I HA 0.220 4.390 4.170 0.000 0.000 0.291 75 I C -0.102 175.710 176.117 -0.509 0.000 1.004 75 I CA -0.257 60.843 61.300 -0.332 0.000 1.311 75 I CB 1.192 38.974 38.000 -0.364 0.000 1.401 75 I HN 0.496 nan 8.210 nan 0.000 0.491 76 H N 7.355 126.333 119.070 -0.153 0.000 2.638 76 H HA 0.515 5.071 4.556 0.000 0.000 0.317 76 H C -0.860 174.343 175.328 -0.209 0.000 1.006 76 H CA -0.506 55.453 56.048 -0.148 0.000 1.222 76 H CB 1.132 30.851 29.762 -0.071 0.000 1.419 76 H HN 0.358 nan 8.280 nan 0.000 0.489 77 L N 5.496 126.612 121.223 -0.178 0.000 2.317 77 L HA 0.394 4.734 4.340 0.000 0.000 0.281 77 L C -2.166 174.485 176.870 -0.366 0.000 1.024 77 L CA -2.158 52.458 54.840 -0.375 0.000 0.810 77 L CB 2.015 43.741 42.059 -0.555 0.000 1.240 77 L HN 0.334 nan 8.230 nan 0.000 0.427 78 P HA -0.007 nan 4.420 nan 0.000 0.271 78 P C -0.746 176.455 177.300 -0.165 0.000 1.220 78 P CA -0.237 62.605 63.100 -0.431 0.000 0.768 78 P CB 0.771 32.050 31.700 -0.700 0.000 0.848 79 D N 5.540 125.943 120.400 0.005 0.000 2.570 79 D HA -0.072 4.568 4.640 0.000 0.000 0.243 79 D C -0.952 175.476 176.300 0.214 0.000 1.171 79 D CA -0.835 53.245 54.000 0.135 0.000 0.879 79 D CB 0.523 41.400 40.800 0.127 0.000 1.143 79 D HN 0.255 nan 8.370 nan 0.000 0.511 80 P HA -0.131 nan 4.420 nan 0.000 0.216 80 P C 0.463 177.968 177.300 0.341 0.000 1.153 80 P CA 0.755 64.013 63.100 0.263 0.000 0.844 80 P CB 0.117 31.690 31.700 -0.212 0.000 0.787 81 N N 0.554 119.364 118.700 0.184 0.000 2.717 81 N HA -0.132 4.608 4.740 0.000 0.000 0.197 81 N C 0.713 176.346 175.510 0.206 0.000 1.215 81 N CA 0.981 54.128 53.050 0.161 0.000 0.949 81 N CB -0.277 38.318 38.487 0.180 0.000 0.999 81 N HN 0.422 nan 8.380 nan 0.000 0.448 82 K N -1.287 119.250 120.400 0.229 0.000 2.618 82 K HA 0.104 4.424 4.320 0.000 0.000 0.205 82 K C -0.329 176.362 176.600 0.152 0.000 1.445 82 K CA -0.478 55.911 56.287 0.169 0.000 1.034 82 K CB 0.377 32.947 32.500 0.117 0.000 1.209 82 K HN -0.086 nan 8.250 nan 0.000 0.627 83 F N 2.619 122.580 119.950 0.019 0.000 2.602 83 F HA 0.200 4.727 4.527 0.000 0.000 0.367 83 F C 1.068 176.714 175.800 -0.256 0.000 1.126 83 F CA -0.232 57.612 58.000 -0.260 0.000 1.321 83 F CB 0.569 39.149 39.000 -0.700 0.000 1.094 83 F HN 0.113 nan 8.300 nan 0.000 0.594 84 G N 7.034 115.136 108.800 -1.164 0.000 2.716 84 G HA2 0.207 4.167 3.960 0.000 0.000 0.296 84 G HA3 0.207 4.167 3.960 0.000 0.000 0.296 84 G C -0.785 173.455 174.900 -1.101 0.000 0.811 84 G CA -0.452 44.126 45.100 -0.869 0.000 1.758 84 G HN 0.472 nan 8.290 nan 0.000 0.512 85 F N 2.524 122.281 119.950 -0.322 0.000 2.427 85 F HA 0.247 4.774 4.527 0.000 0.000 0.352 85 F C -0.411 175.428 175.800 0.065 0.000 1.100 85 F CA -2.053 55.956 58.000 0.015 0.000 1.191 85 F CB 1.595 40.790 39.000 0.324 0.000 1.128 85 F HN 0.309 nan 8.300 nan 0.000 0.533 86 P HA -0.122 nan 4.420 nan 0.000 0.234 86 P C -0.566 176.863 177.300 0.214 0.000 1.162 86 P CA 1.163 64.395 63.100 0.220 0.000 0.759 86 P CB 0.074 31.907 31.700 0.221 0.000 0.813 87 D N -2.205 118.378 120.400 0.305 0.000 2.706 87 D HA 0.255 4.895 4.640 0.000 0.000 0.225 87 D C -0.312 176.074 176.300 0.143 0.000 1.241 87 D CA -0.366 53.769 54.000 0.225 0.000 0.784 87 D CB 0.770 41.758 40.800 0.314 0.000 1.521 87 D HN -0.156 nan 8.370 nan 0.000 0.461 88 T N -1.248 113.158 114.554 -0.247 0.000 3.475 88 T HA 0.188 4.538 4.350 0.000 0.000 0.310 88 T C 1.112 175.327 174.700 -0.808 0.000 0.963 88 T CA 0.474 62.165 62.100 -0.681 0.000 0.985 88 T CB -0.428 68.257 68.868 -0.305 0.000 1.198 88 T HN 0.242 nan 8.240 nan 0.000 0.508 89 S N 1.842 117.176 115.700 -0.611 0.000 2.388 89 S HA 0.009 4.479 4.470 0.000 0.000 0.223 89 S C 1.698 176.083 174.600 -0.358 0.000 1.034 89 S CA 0.457 58.432 58.200 -0.375 0.000 0.963 89 S CB -1.150 61.962 63.200 -0.147 0.000 0.827 89 S HN 0.590 nan 8.310 nan 0.000 0.481 90 F N 2.058 121.993 119.950 -0.024 0.000 2.664 90 F HA 0.291 4.818 4.527 0.000 0.000 0.297 90 F C 0.575 176.405 175.800 0.050 0.000 1.164 90 F CA -1.107 56.886 58.000 -0.012 0.000 1.472 90 F CB -1.616 37.361 39.000 -0.038 0.000 1.108 90 F HN 0.481 nan 8.300 nan 0.000 0.596 91 Y N -0.614 119.512 120.300 -0.290 0.000 2.689 91 Y HA 0.608 5.159 4.550 0.000 0.000 0.333 91 Y C -1.652 174.136 175.900 -0.187 0.000 1.190 91 Y CA -2.404 55.632 58.100 -0.106 0.000 1.063 91 Y CB 0.882 39.364 38.460 0.038 0.000 1.294 91 Y HN -0.163 nan 8.280 nan 0.000 0.466 92 N N 2.856 121.469 118.700 -0.145 0.000 2.518 92 N HA 0.437 5.177 4.740 0.000 0.000 0.254 92 N C -2.344 173.005 175.510 -0.268 0.000 0.979 92 N CA -2.499 50.373 53.050 -0.297 0.000 0.930 92 N CB 1.850 40.283 38.487 -0.091 0.000 1.152 92 N HN 0.481 nan 8.380 nan 0.000 0.505 93 P HA -0.008 nan 4.420 nan 0.000 0.251 93 P C -0.717 176.564 177.300 -0.032 0.000 1.251 93 P CA 0.729 63.742 63.100 -0.145 0.000 0.763 93 P CB 0.543 32.072 31.700 -0.285 0.000 1.067 94 D N -0.788 119.581 120.400 -0.053 0.000 2.716 94 D HA -0.041 4.599 4.640 0.000 0.000 0.273 94 D C 1.950 178.232 176.300 -0.031 0.000 1.024 94 D CA 1.272 55.251 54.000 -0.036 0.000 0.944 94 D CB -0.599 40.175 40.800 -0.045 0.000 1.186 94 D HN 0.225 nan 8.370 nan 0.000 0.485 95 T N -0.729 113.807 114.554 -0.030 0.000 3.004 95 T HA -0.006 4.344 4.350 0.000 0.000 0.243 95 T C 1.252 175.928 174.700 -0.041 0.000 1.020 95 T CA -0.021 62.061 62.100 -0.030 0.000 1.145 95 T CB -0.246 68.610 68.868 -0.020 0.000 0.876 95 T HN 0.185 nan 8.240 nan 0.000 0.449 96 Q N 0.884 120.674 119.800 -0.016 0.000 2.471 96 Q HA 0.461 4.801 4.340 0.000 0.000 0.223 96 Q C -0.514 175.403 176.000 -0.138 0.000 1.045 96 Q CA -0.690 55.095 55.803 -0.030 0.000 0.956 96 Q CB 0.770 29.532 28.738 0.040 0.000 1.249 96 Q HN 0.098 nan 8.270 nan 0.000 0.549 97 R N 0.857 121.200 120.500 -0.262 0.000 2.584 97 R HA 0.423 4.763 4.340 0.000 0.000 0.276 97 R C -1.254 174.875 176.300 -0.284 0.000 1.046 97 R CA -0.684 55.119 56.100 -0.495 0.000 0.906 97 R CB 1.578 31.078 30.300 -1.332 0.000 1.215 97 R HN 0.747 nan 8.270 nan 0.000 0.449 98 L N 2.987 124.060 121.223 -0.251 0.000 2.349 98 L HA 0.467 4.807 4.340 0.000 0.000 0.275 98 L C -0.078 176.843 176.870 0.085 0.000 1.115 98 L CA -0.567 54.155 54.840 -0.197 0.000 0.820 98 L CB 1.241 43.070 42.059 -0.384 0.000 1.135 98 L HN 0.153 nan 8.230 nan 0.000 0.445 99 V N 1.579 121.495 119.914 0.003 0.000 2.789 99 V HA 0.356 4.476 4.120 0.000 0.000 0.311 99 V C -0.740 175.294 176.094 -0.101 0.000 1.073 99 V CA -0.813 61.543 62.300 0.093 0.000 0.921 99 V CB 1.959 33.843 31.823 0.102 0.000 1.009 99 V HN 0.620 nan 8.190 nan 0.000 0.426 100 W N 1.984 123.276 121.300 -0.012 0.000 2.303 100 W HA 0.697 5.357 4.660 0.000 0.000 0.334 100 W C 0.259 176.780 176.519 0.003 0.000 1.197 100 W CA -0.086 57.255 57.345 -0.006 0.000 1.262 100 W CB 1.425 30.840 29.460 -0.076 0.000 1.153 100 W HN 0.694 nan 8.180 nan 0.000 0.596 101 A N 2.060 125.164 122.820 0.473 0.000 2.386 101 A HA 0.621 4.942 4.320 0.000 0.000 0.311 101 A C -1.610 176.189 177.584 0.357 0.000 1.068 101 A CA -0.617 51.577 52.037 0.260 0.000 0.743 101 A CB 1.175 20.235 19.000 0.101 0.000 1.258 101 A HN 0.683 nan 8.150 nan 0.000 0.429 102 C N 2.751 122.123 119.300 0.120 0.000 2.303 102 C HA 0.639 5.099 4.460 0.000 0.000 0.326 102 C C 1.254 176.128 174.990 -0.193 0.000 1.285 102 C CA 0.220 59.181 59.018 -0.094 0.000 1.675 102 C CB 0.171 27.855 27.740 -0.093 0.000 2.289 102 C HN 1.118 nan 8.230 nan 0.000 0.512 103 V N 3.251 123.012 119.914 -0.254 0.000 3.539 103 V HA 0.505 4.625 4.120 0.000 0.000 0.262 103 V C 0.761 176.735 176.094 -0.200 0.000 1.381 103 V CA 0.678 62.836 62.300 -0.237 0.000 1.060 103 V CB -0.266 31.368 31.823 -0.314 0.000 0.842 103 V HN 0.940 nan 8.190 nan 0.000 0.445 104 G N 0.329 108.915 108.800 -0.357 0.000 2.683 104 G HA2 0.631 4.591 3.960 0.000 0.000 0.299 104 G HA3 0.631 4.591 3.960 0.000 0.000 0.299 104 G C -1.540 173.051 174.900 -0.514 0.000 1.432 104 G CA -0.394 44.528 45.100 -0.295 0.000 0.978 104 G HN 0.159 nan 8.290 nan 0.000 0.513 105 V N 1.581 121.144 119.914 -0.584 0.000 2.656 105 V HA 0.655 4.775 4.120 0.000 0.000 0.307 105 V C -0.559 175.040 176.094 -0.825 0.000 1.051 105 V CA -0.772 61.108 62.300 -0.701 0.000 0.893 105 V CB 2.142 33.741 31.823 -0.373 0.000 0.999 105 V HN 0.846 nan 8.190 nan 0.000 0.426 106 E N 3.019 122.712 120.200 -0.845 0.000 2.302 106 E HA 0.498 4.848 4.350 0.000 0.000 0.263 106 E C -1.813 174.448 176.600 -0.566 0.000 0.897 106 E CA -0.447 55.456 56.400 -0.829 0.000 0.809 106 E CB 2.074 31.381 29.700 -0.655 0.000 1.270 106 E HN 0.465 nan 8.360 nan 0.000 0.410 107 V N 3.925 123.636 119.914 -0.339 0.000 2.320 107 V HA 0.423 4.543 4.120 0.000 0.000 0.265 107 V C 0.748 176.803 176.094 -0.066 0.000 1.048 107 V CA -0.329 61.908 62.300 -0.105 0.000 0.865 107 V CB 0.963 32.932 31.823 0.244 0.000 1.043 107 V HN 0.699 nan 8.190 nan 0.000 0.474 108 G N 5.148 113.866 108.800 -0.137 0.000 2.353 108 G HA2 0.468 4.428 3.960 0.000 0.000 0.284 108 G HA3 0.468 4.428 3.960 0.000 0.000 0.284 108 G C -0.100 174.722 174.900 -0.131 0.000 1.172 108 G CA -0.633 44.402 45.100 -0.108 0.000 0.854 108 G HN 0.496 nan 8.290 nan 0.000 0.485 109 R N 2.241 122.662 120.500 -0.131 0.000 2.275 109 R HA 0.279 4.619 4.340 0.000 0.000 0.326 109 R C 0.653 176.871 176.300 -0.136 0.000 0.973 109 R CA -0.617 55.349 56.100 -0.223 0.000 0.854 109 R CB 1.622 31.775 30.300 -0.245 0.000 1.156 109 R HN 0.574 nan 8.270 nan 0.000 0.487 110 G N 2.601 111.321 108.800 -0.133 0.000 3.639 110 G HA2 0.038 3.998 3.960 0.000 0.000 0.279 110 G HA3 0.038 3.998 3.960 0.000 0.000 0.279 110 G C 0.063 174.926 174.900 -0.062 0.000 1.312 110 G CA -0.069 44.986 45.100 -0.074 0.000 1.355 110 G HN 0.249 nan 8.290 nan 0.000 0.595 111 Q N 0.728 120.483 119.800 -0.075 0.000 2.377 111 Q HA 0.369 4.709 4.340 0.000 0.000 0.271 111 Q C -2.544 173.446 176.000 -0.018 0.000 1.077 111 Q CA -2.046 53.735 55.803 -0.037 0.000 0.820 111 Q CB 3.008 31.720 28.738 -0.043 0.000 1.347 111 Q HN 0.140 nan 8.270 nan 0.000 0.444 112 P HA 0.037 nan 4.420 nan 0.000 0.268 112 P C -0.447 176.859 177.300 0.010 0.000 1.204 112 P CA -0.320 62.782 63.100 0.004 0.000 0.768 112 P CB 0.652 32.356 31.700 0.007 0.000 0.842 113 L N 2.849 124.078 121.223 0.011 0.000 2.453 113 L HA 0.498 4.838 4.340 0.000 0.000 0.272 113 L C 1.352 178.231 176.870 0.014 0.000 1.182 113 L CA 1.626 56.476 54.840 0.017 0.000 0.858 113 L CB -0.079 41.992 42.059 0.020 0.000 1.120 113 L HN 0.809 nan 8.230 nan 0.000 0.474 114 G N 1.686 110.495 108.800 0.015 0.000 2.427 114 G HA2 0.544 4.504 3.960 0.000 0.000 0.306 114 G HA3 0.544 4.504 3.960 0.000 0.000 0.306 114 G C -1.649 173.251 174.900 0.000 0.000 1.280 114 G CA -0.040 45.063 45.100 0.006 0.000 0.837 114 G HN 0.641 nan 8.290 nan 0.000 0.482 115 V N -1.931 117.974 119.914 -0.016 0.000 2.680 115 V HA 0.969 5.089 4.120 0.000 0.000 0.309 115 V C 0.395 176.449 176.094 -0.065 0.000 1.052 115 V CA -0.128 62.155 62.300 -0.027 0.000 0.908 115 V CB 1.382 33.194 31.823 -0.018 0.000 1.001 115 V HN 1.704 nan 8.190 nan 0.000 0.431 116 G N 2.945 111.695 108.800 -0.083 0.000 2.388 116 G HA2 0.685 4.645 3.960 0.000 0.000 0.330 116 G HA3 0.685 4.645 3.960 0.000 0.000 0.330 116 G C -1.050 173.778 174.900 -0.119 0.000 1.142 116 G CA -0.779 44.236 45.100 -0.142 0.000 0.908 116 G HN 0.963 nan 8.290 nan 0.000 0.473 117 I N 1.316 121.819 120.570 -0.113 0.000 2.377 117 I HA 0.536 4.706 4.170 0.000 0.000 0.293 117 I C -0.400 175.707 176.117 -0.016 0.000 0.987 117 I CA -0.476 60.767 61.300 -0.095 0.000 1.185 117 I CB 1.763 39.732 38.000 -0.052 0.000 1.341 117 I HN 0.372 nan 8.210 nan 0.000 0.455 118 S N 4.376 120.023 115.700 -0.088 0.000 2.532 118 S HA 0.935 5.405 4.470 0.000 0.000 0.301 118 S C -0.172 174.503 174.600 0.124 0.000 1.083 118 S CA -0.574 57.742 58.200 0.192 0.000 1.025 118 S CB 1.979 65.213 63.200 0.056 0.000 1.056 118 S HN 0.918 nan 8.310 nan 0.000 0.494 119 G N 0.673 109.596 108.800 0.205 0.000 2.600 119 G HA2 0.551 4.511 3.960 0.000 0.000 0.293 119 G HA3 0.551 4.511 3.960 0.000 0.000 0.293 119 G C -2.259 172.704 174.900 0.106 0.000 1.408 119 G CA -0.454 44.710 45.100 0.107 0.000 0.782 119 G HN 0.613 nan 8.290 nan 0.000 0.482 120 H N 0.229 119.306 119.070 0.012 0.000 2.934 120 H HA 0.430 4.986 4.556 0.000 0.000 0.340 120 H C -2.152 173.156 175.328 -0.033 0.000 1.008 120 H CA -1.632 54.408 56.048 -0.012 0.000 1.317 120 H CB 2.921 32.686 29.762 0.005 0.000 1.670 120 H HN 0.131 nan 8.280 nan 0.000 0.516 121 P HA -0.060 nan 4.420 nan 0.000 0.216 121 P C 0.216 177.646 177.300 0.216 0.000 1.150 121 P CA 1.234 64.424 63.100 0.149 0.000 0.837 121 P CB 0.377 32.105 31.700 0.045 0.000 0.786 122 L N -1.067 120.412 121.223 0.426 0.000 2.784 122 L HA 0.287 4.627 4.340 0.000 0.000 0.241 122 L C -0.245 176.374 176.870 -0.417 0.000 1.352 122 L CA -1.001 53.812 54.840 -0.046 0.000 0.911 122 L CB 0.406 42.461 42.059 -0.006 0.000 1.227 122 L HN -0.070 nan 8.230 nan 0.000 0.501 123 L N 1.204 122.247 121.223 -0.299 0.000 2.367 123 L HA 0.257 4.597 4.340 0.000 0.000 0.275 123 L C 0.766 177.507 176.870 -0.215 0.000 1.129 123 L CA 0.355 55.009 54.840 -0.310 0.000 0.839 123 L CB 0.647 42.652 42.059 -0.090 0.000 1.133 123 L HN 0.242 nan 8.230 nan 0.000 0.453 124 N N 4.969 123.521 118.700 -0.245 0.000 2.744 124 N HA 0.003 4.743 4.740 0.000 0.000 0.290 124 N C -0.929 174.545 175.510 -0.060 0.000 1.206 124 N CA 0.235 53.181 53.050 -0.173 0.000 1.119 124 N CB -0.333 38.020 38.487 -0.223 0.000 1.449 124 N HN 0.530 nan 8.380 nan 0.000 0.514 125 K N 3.587 123.966 120.400 -0.035 0.000 2.358 125 K HA 0.146 4.466 4.320 0.000 0.000 0.260 125 K C 0.280 176.848 176.600 -0.053 0.000 0.956 125 K CA -0.555 55.739 56.287 0.012 0.000 0.834 125 K CB 1.577 33.942 32.500 -0.226 0.000 1.102 125 K HN 0.312 nan 8.250 nan 0.000 0.431 126 L N 3.769 124.999 121.223 0.010 0.000 2.117 126 L HA 0.147 4.487 4.340 0.000 0.000 0.200 126 L C -0.384 176.460 176.870 -0.043 0.000 1.110 126 L CA 1.568 56.402 54.840 -0.011 0.000 0.774 126 L CB 0.086 42.159 42.059 0.024 0.000 0.934 126 L HN 0.875 nan 8.230 nan 0.000 0.456 127 D N -2.305 118.091 120.400 -0.006 0.000 2.622 127 D HA 0.243 4.883 4.640 0.000 0.000 0.255 127 D C -1.563 174.790 176.300 0.088 0.000 1.246 127 D CA -0.644 53.356 54.000 0.001 0.000 0.795 127 D CB 0.336 41.144 40.800 0.013 0.000 1.369 127 D HN 0.083 nan 8.370 nan 0.000 0.425 128 D N -1.299 119.163 120.400 0.104 0.000 2.389 128 D HA 0.367 5.007 4.640 0.000 0.000 0.247 128 D C 0.589 176.962 176.300 0.122 0.000 1.128 128 D CA 0.011 54.135 54.000 0.206 0.000 0.884 128 D CB 0.964 41.866 40.800 0.169 0.000 1.194 128 D HN 0.413 nan 8.370 nan 0.000 0.441 129 T N 0.131 114.742 114.554 0.096 0.000 3.004 129 T HA 0.046 4.396 4.350 0.000 0.000 0.266 129 T C 1.349 176.023 174.700 -0.045 0.000 0.986 129 T CA -0.365 61.753 62.100 0.030 0.000 0.902 129 T CB -0.042 68.867 68.868 0.068 0.000 1.118 129 T HN 0.564 nan 8.240 nan 0.000 0.522 130 E N 2.037 122.215 120.200 -0.036 0.000 2.338 130 E HA -0.107 4.243 4.350 0.000 0.000 0.197 130 E C 0.005 176.572 176.600 -0.054 0.000 1.007 130 E CA 0.533 56.892 56.400 -0.067 0.000 0.849 130 E CB 0.160 29.827 29.700 -0.054 0.000 0.774 130 E HN 0.408 nan 8.360 nan 0.000 0.506 131 N N -0.907 117.773 118.700 -0.032 0.000 4.389 131 N HA 0.183 4.923 4.740 0.000 0.000 0.182 131 N C -1.856 173.643 175.510 -0.018 0.000 1.101 131 N CA 0.261 53.294 53.050 -0.027 0.000 1.036 131 N CB 0.996 39.472 38.487 -0.017 0.000 1.596 131 N HN 0.146 nan 8.380 nan 0.000 0.880 132 A N 1.515 124.316 122.820 -0.032 0.000 2.313 132 A HA 0.805 5.125 4.320 0.000 0.000 0.323 132 A C 0.731 178.301 177.584 -0.023 0.000 1.133 132 A CA 0.209 52.227 52.037 -0.033 0.000 0.847 132 A CB 1.075 20.030 19.000 -0.075 0.000 1.308 132 A HN 1.065 nan 8.150 nan 0.000 0.475 133 S N -1.699 113.993 115.700 -0.013 0.000 2.744 133 S HA 0.605 5.075 4.470 0.000 0.000 0.265 133 S C 0.118 174.723 174.600 0.008 0.000 1.065 133 S CA 0.743 58.942 58.200 -0.002 0.000 1.191 133 S CB 0.062 63.264 63.200 0.003 0.000 1.150 133 S HN 2.317 nan 8.310 nan 0.000 0.646 134 A N 0.491 123.317 122.820 0.011 0.000 2.594 134 A HA 0.596 4.916 4.320 0.000 0.000 0.296 134 A C -1.414 176.207 177.584 0.062 0.000 1.061 134 A CA -0.728 51.335 52.037 0.043 0.000 0.689 134 A CB 0.186 19.216 19.000 0.050 0.000 1.280 134 A HN 0.410 nan 8.150 nan 0.000 0.406 135 Y N 1.674 121.980 120.300 0.011 0.000 2.717 135 Y HA 0.296 4.846 4.550 0.000 0.000 0.330 135 Y C 1.039 176.944 175.900 0.009 0.000 1.217 135 Y CA 1.012 59.119 58.100 0.011 0.000 1.506 135 Y CB 0.554 39.019 38.460 0.009 0.000 1.268 135 Y HN 0.994 nan 8.280 nan 0.000 0.561 136 A N 5.170 128.151 122.820 0.269 0.000 2.462 136 A HA 0.504 4.824 4.320 0.000 0.000 0.243 136 A C 0.061 177.752 177.584 0.178 0.000 1.076 136 A CA -0.217 51.920 52.037 0.166 0.000 0.773 136 A CB -0.281 18.765 19.000 0.077 0.000 1.010 136 A HN 1.043 nan 8.150 nan 0.000 0.493 137 A N 3.681 126.555 122.820 0.090 0.000 2.567 137 A HA 0.251 4.571 4.320 0.000 0.000 0.240 137 A C 0.729 178.341 177.584 0.047 0.000 1.053 137 A CA -0.124 51.944 52.037 0.052 0.000 0.755 137 A CB -0.621 18.395 19.000 0.027 0.000 0.978 137 A HN 0.964 nan 8.150 nan 0.000 0.507 138 N N 0.109 118.827 118.700 0.030 0.000 2.124 138 N HA 0.136 4.876 4.740 0.000 0.000 0.227 138 N C 0.142 175.659 175.510 0.012 0.000 1.268 138 N CA 1.497 54.558 53.050 0.017 0.000 0.864 138 N CB 0.101 38.589 38.487 0.000 0.000 1.070 138 N HN 0.912 nan 8.380 nan 0.000 0.452 139 A N 0.129 122.952 122.820 0.005 0.000 2.273 139 A HA 0.597 4.917 4.320 0.000 0.000 0.320 139 A C 1.297 178.876 177.584 -0.009 0.000 1.358 139 A CA -0.207 51.828 52.037 -0.003 0.000 0.910 139 A CB 0.117 19.114 19.000 -0.006 0.000 1.159 139 A HN 0.634 nan 8.150 nan 0.000 0.526 140 G N 1.507 110.301 108.800 -0.011 0.000 2.996 140 G HA2 0.145 4.105 3.960 0.000 0.000 0.201 140 G HA3 0.145 4.105 3.960 0.000 0.000 0.201 140 G C 0.344 175.234 174.900 -0.017 0.000 1.415 140 G CA 1.716 46.808 45.100 -0.013 0.000 0.789 140 G HN 1.245 nan 8.290 nan 0.000 0.722 141 V N -0.452 119.450 119.914 -0.020 0.000 3.000 141 V HA 0.404 4.524 4.120 0.000 0.000 0.300 141 V C -0.934 175.144 176.094 -0.028 0.000 1.251 141 V CA -0.274 62.012 62.300 -0.023 0.000 0.972 141 V CB 1.918 33.728 31.823 -0.021 0.000 1.065 141 V HN 0.753 nan 8.190 nan 0.000 0.431 142 D N 2.739 123.119 120.400 -0.033 0.000 3.508 142 D HA -0.167 4.473 4.640 0.000 0.000 0.232 142 D C 0.235 176.509 176.300 -0.042 0.000 1.131 142 D CA 0.854 54.830 54.000 -0.041 0.000 1.040 142 D CB -0.364 40.415 40.800 -0.036 0.000 0.879 142 D HN 0.835 nan 8.370 nan 0.000 0.407 143 N N 1.338 120.009 118.700 -0.048 0.000 2.204 143 N HA 0.090 4.830 4.740 0.000 0.000 0.219 143 N C 0.032 175.505 175.510 -0.062 0.000 1.151 143 N CA -0.387 52.635 53.050 -0.047 0.000 0.867 143 N CB 0.466 38.928 38.487 -0.042 0.000 1.043 143 N HN 0.359 nan 8.380 nan 0.000 0.516 144 R N 1.213 121.670 120.500 -0.072 0.000 2.802 144 R HA 0.063 4.403 4.340 0.000 0.000 0.264 144 R C -0.038 176.212 176.300 -0.083 0.000 0.996 144 R CA 0.553 56.597 56.100 -0.093 0.000 1.123 144 R CB 0.163 30.394 30.300 -0.114 0.000 0.996 144 R HN 0.289 nan 8.270 nan 0.000 0.444 145 E N -0.073 120.071 120.200 -0.094 0.000 2.449 145 E HA 0.209 4.559 4.350 0.000 0.000 0.278 145 E C -1.407 175.157 176.600 -0.060 0.000 0.992 145 E CA -1.005 55.347 56.400 -0.080 0.000 0.807 145 E CB 1.687 31.324 29.700 -0.105 0.000 1.350 145 E HN 0.559 nan 8.360 nan 0.000 0.462 146 C N 2.497 121.773 119.300 -0.040 0.000 2.168 146 C HA 0.584 5.044 4.460 0.000 0.000 0.333 146 C C -0.293 174.687 174.990 -0.016 0.000 1.106 146 C CA -0.199 58.813 59.018 -0.010 0.000 1.574 146 C CB -2.172 25.566 27.740 -0.004 0.000 2.055 146 C HN 0.482 nan 8.230 nan 0.000 0.473 147 I N 5.174 125.745 120.570 0.001 0.000 2.693 147 I HA 0.655 4.825 4.170 0.000 0.000 0.303 147 I C 0.230 176.393 176.117 0.076 0.000 1.025 147 I CA 0.122 61.437 61.300 0.026 0.000 1.086 147 I CB 2.429 40.453 38.000 0.040 0.000 1.268 147 I HN 0.753 nan 8.210 nan 0.000 0.440 148 S N 5.420 121.165 115.700 0.075 0.000 2.579 148 S HA 0.849 5.319 4.470 0.000 0.000 0.272 148 S C -0.694 173.919 174.600 0.022 0.000 1.141 148 S CA -0.843 57.387 58.200 0.051 0.000 0.843 148 S CB 2.368 65.586 63.200 0.030 0.000 1.122 148 S HN 0.692 nan 8.310 nan 0.000 0.468 149 M N -0.402 119.159 119.600 -0.065 0.000 3.695 149 M HA 0.637 5.117 4.480 0.000 0.000 0.327 149 M C -2.239 173.926 176.300 -0.225 0.000 1.551 149 M CA -0.780 54.456 55.300 -0.107 0.000 0.814 149 M CB 0.920 33.460 32.600 -0.101 0.000 2.062 149 M HN 0.644 nan 8.290 nan 0.000 0.452 150 D N 0.978 121.233 120.400 -0.242 0.000 2.440 150 D HA 0.418 5.058 4.640 0.000 0.000 0.252 150 D C -0.982 175.196 176.300 -0.204 0.000 1.180 150 D CA -0.249 53.612 54.000 -0.232 0.000 0.894 150 D CB 0.116 40.844 40.800 -0.120 0.000 1.111 150 D HN 0.578 nan 8.370 nan 0.000 0.544 151 Y N 1.197 121.461 120.300 -0.060 0.000 2.410 151 Y HA -0.135 4.415 4.550 0.000 0.000 0.356 151 Y C 1.722 177.574 175.900 -0.081 0.000 1.259 151 Y CA -0.335 57.713 58.100 -0.087 0.000 1.518 151 Y CB 0.624 39.062 38.460 -0.037 0.000 1.350 151 Y HN 0.275 nan 8.280 nan 0.000 0.699 152 K N 1.746 122.238 120.400 0.153 0.000 2.379 152 K HA 0.037 4.357 4.320 0.000 0.000 0.284 152 K C -0.554 176.094 176.600 0.081 0.000 1.044 152 K CA -0.457 55.870 56.287 0.067 0.000 0.974 152 K CB 0.480 33.001 32.500 0.034 0.000 0.962 152 K HN 0.566 nan 8.250 nan 0.000 0.474 153 Q N 2.511 122.355 119.800 0.073 0.000 2.362 153 Q HA -0.043 4.297 4.340 0.000 0.000 0.305 153 Q C -0.871 175.177 176.000 0.080 0.000 1.120 153 Q CA 0.891 56.740 55.803 0.077 0.000 1.011 153 Q CB 0.271 29.053 28.738 0.074 0.000 1.048 153 Q HN 0.658 nan 8.270 nan 0.000 0.386 154 T N 4.341 118.945 114.554 0.083 0.000 2.886 154 T HA 0.421 4.771 4.350 0.000 0.000 0.292 154 T C -1.039 173.731 174.700 0.116 0.000 1.012 154 T CA -0.678 61.478 62.100 0.094 0.000 0.982 154 T CB 1.765 70.677 68.868 0.074 0.000 1.018 154 T HN 0.522 nan 8.240 nan 0.000 0.451 155 Q N 2.441 122.330 119.800 0.147 0.000 2.275 155 Q HA 0.624 4.964 4.340 0.000 0.000 0.258 155 Q C -2.034 174.094 176.000 0.214 0.000 0.960 155 Q CA -0.890 55.058 55.803 0.241 0.000 0.801 155 Q CB 1.408 30.268 28.738 0.204 0.000 1.302 155 Q HN 0.637 nan 8.270 nan 0.000 0.433 156 L N 1.456 122.893 121.223 0.358 0.000 2.549 156 L HA 0.785 5.125 4.340 0.000 0.000 0.259 156 L C -2.045 175.071 176.870 0.411 0.000 0.934 156 L CA -0.688 54.309 54.840 0.262 0.000 0.865 156 L CB 1.739 43.924 42.059 0.209 0.000 1.352 156 L HN 0.635 nan 8.230 nan 0.000 0.410 157 C N 4.817 124.224 119.300 0.179 0.000 2.441 157 C HA 0.888 5.348 4.460 0.000 0.000 0.318 157 C C -0.696 174.337 174.990 0.072 0.000 1.222 157 C CA -0.547 58.597 59.018 0.210 0.000 1.474 157 C CB 0.366 28.216 27.740 0.184 0.000 2.125 157 C HN 0.917 nan 8.230 nan 0.000 0.479 158 L N 6.484 127.792 121.223 0.142 0.000 2.354 158 L HA 0.744 5.084 4.340 0.000 0.000 0.269 158 L C -0.519 176.436 176.870 0.141 0.000 1.005 158 L CA -0.742 54.164 54.840 0.110 0.000 0.819 158 L CB 1.670 43.787 42.059 0.097 0.000 1.311 158 L HN 0.512 nan 8.230 nan 0.000 0.423 159 I N 1.017 121.678 120.570 0.153 0.000 2.569 159 I HA 0.766 4.936 4.170 0.000 0.000 0.290 159 I C -0.058 175.928 176.117 -0.218 0.000 1.088 159 I CA -0.334 61.084 61.300 0.196 0.000 1.047 159 I CB 2.166 40.461 38.000 0.491 0.000 1.237 159 I HN 0.785 nan 8.210 nan 0.000 0.421 160 G N 2.620 111.260 108.800 -0.268 0.000 2.606 160 G HA2 0.395 4.355 3.960 0.000 0.000 0.300 160 G HA3 0.395 4.355 3.960 0.000 0.000 0.300 160 G C 0.080 174.845 174.900 -0.226 0.000 1.360 160 G CA -0.155 44.522 45.100 -0.706 0.000 0.783 160 G HN 0.731 nan 8.290 nan 0.000 0.484 161 C N -1.731 117.463 119.300 -0.177 0.000 2.611 161 C HA 0.520 4.980 4.460 0.000 0.000 0.282 161 C C 0.634 175.581 174.990 -0.071 0.000 1.321 161 C CA -0.196 58.796 59.018 -0.043 0.000 1.747 161 C CB -0.557 27.247 27.740 0.107 0.000 2.124 161 C HN 0.346 nan 8.230 nan 0.000 0.531 162 K N 2.152 122.579 120.400 0.044 0.000 2.139 162 K HA 0.540 4.860 4.320 0.000 0.000 0.243 162 K C -2.682 174.154 176.600 0.393 0.000 0.983 162 K CA -2.202 54.174 56.287 0.149 0.000 0.890 162 K CB 0.617 33.138 32.500 0.035 0.000 1.090 162 K HN 0.167 nan 8.250 nan 0.000 0.445 163 P HA 0.140 nan 4.420 nan 0.000 0.274 163 P C -2.450 174.641 177.300 -0.349 0.000 1.231 163 P CA -1.150 61.623 63.100 -0.546 0.000 0.790 163 P CB 0.127 31.268 31.700 -0.932 0.000 0.951 164 P HA 0.192 nan 4.420 nan 0.000 0.268 164 P C -0.197 176.933 177.300 -0.283 0.000 1.204 164 P CA 0.515 63.449 63.100 -0.275 0.000 0.768 164 P CB 0.555 32.103 31.700 -0.255 0.000 0.842 165 I N 2.501 122.918 120.570 -0.255 0.000 2.328 165 I HA 0.306 4.476 4.170 0.000 0.000 0.287 165 I C 1.229 177.182 176.117 -0.274 0.000 1.012 165 I CA -0.341 60.813 61.300 -0.243 0.000 1.195 165 I CB 1.574 39.462 38.000 -0.185 0.000 1.350 165 I HN 0.389 nan 8.210 nan 0.000 0.464 166 G N 5.385 114.024 108.800 -0.268 0.000 2.532 166 G HA2 0.619 4.579 3.960 0.000 0.000 0.291 166 G HA3 0.619 4.579 3.960 0.000 0.000 0.291 166 G C -0.767 174.033 174.900 -0.167 0.000 1.349 166 G CA -0.290 44.654 45.100 -0.260 0.000 1.038 166 G HN 0.705 nan 8.290 nan 0.000 0.518 167 E N -1.517 118.614 120.200 -0.116 0.000 2.408 167 E HA 0.621 4.971 4.350 0.000 0.000 0.275 167 E C -1.383 175.228 176.600 0.018 0.000 0.935 167 E CA -1.036 55.304 56.400 -0.100 0.000 0.775 167 E CB 2.437 32.016 29.700 -0.202 0.000 1.277 167 E HN 0.814 nan 8.360 nan 0.000 0.455 168 H N -0.730 118.170 119.070 -0.283 0.000 2.951 168 H HA 0.227 4.783 4.556 0.000 0.000 0.292 168 H C -1.910 173.256 175.328 -0.271 0.000 1.412 168 H CA -1.202 54.703 56.048 -0.238 0.000 1.206 168 H CB -0.304 29.387 29.762 -0.118 0.000 1.862 168 H HN 0.661 nan 8.280 nan 0.000 0.502 169 W N 0.584 121.768 121.300 -0.194 0.000 2.332 169 W HA 0.646 5.306 4.660 0.000 0.000 0.351 169 W C 0.670 177.084 176.519 -0.176 0.000 1.195 169 W CA 0.550 57.775 57.345 -0.201 0.000 1.334 169 W CB 1.641 31.065 29.460 -0.060 0.000 1.206 169 W HN 0.995 nan 8.180 nan 0.000 0.637 170 G N 0.294 109.210 108.800 0.193 0.000 2.441 170 G HA2 0.252 4.212 3.960 0.000 0.000 0.294 170 G HA3 0.252 4.212 3.960 0.000 0.000 0.294 170 G C -2.043 172.921 174.900 0.106 0.000 1.393 170 G CA -1.204 43.965 45.100 0.115 0.000 0.796 170 G HN 0.267 nan 8.290 nan 0.000 0.494 171 K N 0.125 120.569 120.400 0.075 0.000 2.316 171 K HA 0.501 4.821 4.320 0.000 0.000 0.289 171 K C 0.171 176.797 176.600 0.043 0.000 1.070 171 K CA -0.090 56.229 56.287 0.054 0.000 0.928 171 K CB 0.643 33.168 32.500 0.043 0.000 1.039 171 K HN 0.653 nan 8.250 nan 0.000 0.480 172 G N 2.686 111.512 108.800 0.044 0.000 3.565 172 G HA2 0.042 4.002 3.960 0.000 0.000 0.346 172 G HA3 0.042 4.002 3.960 0.000 0.000 0.346 172 G C -0.367 174.549 174.900 0.027 0.000 1.363 172 G CA -0.387 44.734 45.100 0.035 0.000 1.134 172 G HN 0.621 nan 8.290 nan 0.000 0.471 173 S N 2.059 117.772 115.700 0.022 0.000 4.474 173 S HA -0.096 4.374 4.470 0.000 0.000 0.535 173 S C -0.668 173.942 174.600 0.016 0.000 1.029 173 S CA -0.282 57.928 58.200 0.017 0.000 0.913 173 S CB 0.328 63.536 63.200 0.013 0.000 1.054 173 S HN 0.537 nan 8.310 nan 0.000 0.442 174 P HA -0.041 nan 4.420 nan 0.000 0.285 174 P C -0.239 177.068 177.300 0.012 0.000 1.613 174 P CA -0.027 63.081 63.100 0.012 0.000 1.239 174 P CB 0.368 32.073 31.700 0.009 0.000 1.161 175 C N -0.709 118.596 119.300 0.010 0.000 2.340 175 C HA 0.290 4.750 4.460 0.000 0.000 0.323 175 C C -0.150 174.844 174.990 0.007 0.000 1.260 175 C CA -0.200 58.824 59.018 0.009 0.000 1.464 175 C CB 0.240 27.985 27.740 0.009 0.000 2.156 175 C HN 0.409 nan 8.230 nan 0.000 0.476 176 T N 4.865 119.423 114.554 0.006 0.000 2.751 176 T HA 0.313 4.663 4.350 0.000 0.000 0.279 176 T C -0.382 174.320 174.700 0.004 0.000 0.941 176 T CA 0.619 62.722 62.100 0.005 0.000 1.192 176 T CB -0.313 68.558 68.868 0.004 0.000 0.883 176 T HN 0.812 nan 8.240 nan 0.000 0.534 177 Q N 0.713 120.515 119.800 0.004 0.000 2.964 177 Q HA 0.181 4.521 4.340 0.000 0.000 0.215 177 Q C -0.718 175.284 176.000 0.002 0.000 1.019 177 Q CA -0.855 54.950 55.803 0.003 0.000 0.990 177 Q CB 0.938 29.678 28.738 0.003 0.000 2.131 177 Q HN 0.351 nan 8.270 nan 0.000 0.522 178 V N 0.420 120.334 119.914 0.002 0.000 5.678 178 V HA -0.313 3.807 4.120 0.000 0.000 0.205 178 V C 0.834 176.929 176.094 0.001 0.000 0.703 178 V CA 1.386 63.687 62.300 0.001 0.000 0.545 178 V CB -1.663 30.160 31.823 0.000 0.000 0.202 178 V HN 0.907 nan 8.190 nan 0.000 0.481 179 A N 2.531 125.352 122.820 0.001 0.000 2.879 179 A HA 0.399 4.719 4.320 0.000 0.000 0.246 179 A C 0.954 178.538 177.584 0.000 0.000 1.921 179 A CA 0.616 52.653 52.037 0.001 0.000 1.626 179 A CB -1.176 17.824 19.000 0.001 0.000 0.790 179 A HN 2.133 nan 8.150 nan 0.000 0.625 180 V N -2.969 116.945 119.914 -0.000 0.000 3.855 180 V HA -0.226 3.894 4.120 0.000 0.000 0.547 180 V C 0.170 176.262 176.094 -0.002 0.000 0.694 180 V CA 0.903 63.202 62.300 -0.002 0.000 2.115 180 V CB -0.499 31.323 31.823 -0.002 0.000 2.500 180 V HN 0.914 nan 8.190 nan 0.000 0.522 181 Q N 3.098 122.896 119.800 -0.003 0.000 2.347 181 Q HA 0.429 4.769 4.340 0.000 0.000 0.262 181 Q C -2.619 173.378 176.000 -0.005 0.000 0.980 181 Q CA -2.358 53.443 55.803 -0.004 0.000 0.867 181 Q CB 1.695 30.430 28.738 -0.004 0.000 1.242 181 Q HN 0.714 nan 8.270 nan 0.000 0.453 182 P HA -0.101 nan 4.420 nan 0.000 0.255 182 P C 0.240 177.535 177.300 -0.008 0.000 1.141 182 P CA 1.784 64.880 63.100 -0.006 0.000 0.767 182 P CB 0.219 31.915 31.700 -0.006 0.000 0.726 183 G N 3.600 112.395 108.800 -0.009 0.000 3.246 183 G HA2 -0.185 3.775 3.960 0.000 0.000 0.196 183 G HA3 -0.185 3.775 3.960 0.000 0.000 0.196 183 G C -0.189 174.704 174.900 -0.012 0.000 2.019 183 G CA -0.344 44.749 45.100 -0.012 0.000 1.385 183 G HN 0.464 nan 8.290 nan 0.000 0.484 184 D N 1.832 122.227 120.400 -0.009 0.000 5.044 184 D HA 0.168 4.808 4.640 0.000 0.000 0.263 184 D C 1.188 177.482 176.300 -0.010 0.000 1.567 184 D CA 1.070 55.064 54.000 -0.009 0.000 1.204 184 D CB -0.724 40.072 40.800 -0.006 0.000 1.347 184 D HN 0.771 nan 8.370 nan 0.000 0.758 185 C N 3.446 122.737 119.300 -0.015 0.000 1.833 185 C HA -0.134 4.326 4.460 0.000 0.000 0.420 185 C C -1.628 173.354 174.990 -0.014 0.000 1.476 185 C CA -1.257 57.750 59.018 -0.018 0.000 1.582 185 C CB -0.156 27.568 27.740 -0.027 0.000 2.810 185 C HN 0.471 nan 8.230 nan 0.000 0.542 186 P HA 0.271 nan 4.420 nan 0.000 0.269 186 P C -2.524 174.772 177.300 -0.006 0.000 1.209 186 P CA -0.590 62.509 63.100 -0.002 0.000 0.776 186 P CB -0.016 31.688 31.700 0.007 0.000 0.876 187 P HA 0.138 nan 4.420 nan 0.000 0.281 187 P C -0.518 176.801 177.300 0.032 0.000 1.286 187 P CA 0.014 63.121 63.100 0.013 0.000 0.772 187 P CB 0.310 32.023 31.700 0.023 0.000 0.862 188 L N 3.497 124.728 121.223 0.013 0.000 2.453 188 L HA 0.402 4.742 4.340 0.000 0.000 0.261 188 L C 0.720 177.718 176.870 0.214 0.000 1.179 188 L CA 0.479 55.360 54.840 0.068 0.000 0.813 188 L CB -0.023 41.916 42.059 -0.200 0.000 1.110 188 L HN 0.484 nan 8.230 nan 0.000 0.466 189 E N 1.694 122.146 120.200 0.420 0.000 2.522 189 E HA 0.132 4.482 4.350 0.000 0.000 0.315 189 E C -1.554 175.127 176.600 0.134 0.000 0.917 189 E CA -0.754 55.829 56.400 0.305 0.000 0.796 189 E CB 1.535 31.299 29.700 0.108 0.000 1.323 189 E HN 0.312 nan 8.360 nan 0.000 0.397 190 L N 5.558 126.668 121.223 -0.189 0.000 2.540 190 L HA 0.290 4.630 4.340 0.000 0.000 0.276 190 L C -0.800 175.810 176.870 -0.434 0.000 1.212 190 L CA 0.953 55.359 54.840 -0.724 0.000 0.893 190 L CB 0.144 41.751 42.059 -0.754 0.000 1.138 190 L HN 0.509 nan 8.230 nan 0.000 0.491 191 I N 5.208 125.453 120.570 -0.542 0.000 2.498 191 I HA 0.328 4.498 4.170 0.000 0.000 0.290 191 I C -0.148 175.839 176.117 -0.217 0.000 1.032 191 I CA -0.772 60.320 61.300 -0.347 0.000 1.073 191 I CB 1.737 39.517 38.000 -0.366 0.000 1.251 191 I HN 0.546 nan 8.210 nan 0.000 0.426 192 N N 3.129 121.758 118.700 -0.118 0.000 2.508 192 N HA 0.546 5.286 4.740 0.000 0.000 0.285 192 N C -0.467 175.028 175.510 -0.026 0.000 1.144 192 N CA 0.027 53.023 53.050 -0.089 0.000 0.978 192 N CB 2.164 40.595 38.487 -0.094 0.000 1.180 192 N HN 0.677 nan 8.380 nan 0.000 0.484 193 T N -2.033 112.495 114.554 -0.042 0.000 2.827 193 T HA 0.193 4.543 4.350 0.000 0.000 0.328 193 T C -1.470 173.176 174.700 -0.091 0.000 1.598 193 T CA -0.690 61.398 62.100 -0.020 0.000 1.043 193 T CB 0.365 69.248 68.868 0.026 0.000 1.447 193 T HN 0.014 nan 8.240 nan 0.000 0.491 194 V N 4.662 124.538 119.914 -0.064 0.000 2.397 194 V HA 0.296 4.416 4.120 0.000 0.000 0.262 194 V C 0.967 176.972 176.094 -0.148 0.000 1.047 194 V CA -0.418 61.775 62.300 -0.179 0.000 1.003 194 V CB -0.045 31.537 31.823 -0.402 0.000 1.037 194 V HN 0.709 nan 8.190 nan 0.000 0.480 195 I N 5.720 126.139 120.570 -0.251 0.000 2.705 195 I HA 0.015 4.185 4.170 0.000 0.000 0.291 195 I C 0.867 176.919 176.117 -0.108 0.000 1.146 195 I CA 0.414 61.522 61.300 -0.321 0.000 1.383 195 I CB -0.512 37.092 38.000 -0.660 0.000 1.454 195 I HN 0.681 nan 8.210 nan 0.000 0.581 196 Q N 4.494 124.293 119.800 -0.001 0.000 2.312 196 Q HA 0.123 4.463 4.340 0.000 0.000 0.236 196 Q C 0.232 176.249 176.000 0.028 0.000 0.965 196 Q CA -0.573 55.272 55.803 0.071 0.000 0.894 196 Q CB 1.278 29.921 28.738 -0.158 0.000 1.225 196 Q HN 0.526 nan 8.270 nan 0.000 0.478 197 D N -0.304 120.137 120.400 0.068 0.000 2.414 197 D HA 0.052 4.692 4.640 0.000 0.000 0.242 197 D C 0.650 176.955 176.300 0.008 0.000 1.129 197 D CA 1.316 55.358 54.000 0.071 0.000 0.885 197 D CB 0.703 41.536 40.800 0.054 0.000 1.198 197 D HN 0.753 nan 8.370 nan 0.000 0.437 198 G N 3.706 112.538 108.800 0.053 0.000 2.268 198 G HA2 -0.221 3.740 3.960 0.000 0.000 0.240 198 G HA3 -0.221 3.740 3.960 0.000 0.000 0.240 198 G C 0.182 175.123 174.900 0.067 0.000 1.010 198 G CA 0.250 45.370 45.100 0.034 0.000 0.618 198 G HN 0.662 nan 8.290 nan 0.000 0.516 199 D N 1.603 122.055 120.400 0.087 0.000 2.400 199 D HA 0.363 5.003 4.640 0.000 0.000 0.238 199 D C 1.026 177.465 176.300 0.231 0.000 1.157 199 D CA 0.336 54.395 54.000 0.098 0.000 0.889 199 D CB 0.378 41.168 40.800 -0.017 0.000 1.199 199 D HN 0.093 nan 8.370 nan 0.000 0.436 200 M N 1.900 121.592 119.600 0.153 0.000 2.084 200 M HA 0.135 4.615 4.480 0.000 0.000 0.351 200 M C 0.305 176.721 176.300 0.194 0.000 1.240 200 M CA -0.820 54.563 55.300 0.138 0.000 1.083 200 M CB 0.683 33.331 32.600 0.079 0.000 1.593 200 M HN 0.169 nan 8.290 nan 0.000 0.463 201 V N 0.350 120.341 119.914 0.129 0.000 3.672 201 V HA 0.037 4.158 4.120 0.000 0.000 0.301 201 V C 0.573 176.714 176.094 0.079 0.000 1.123 201 V CA -0.493 61.858 62.300 0.086 0.000 1.210 201 V CB 0.069 31.799 31.823 -0.156 0.000 1.089 201 V HN 0.792 nan 8.190 nan 0.000 0.491 202 D N 0.775 121.237 120.400 0.103 0.000 2.449 202 D HA 0.171 4.811 4.640 0.000 0.000 0.236 202 D C 1.055 177.321 176.300 -0.057 0.000 1.149 202 D CA 0.979 55.001 54.000 0.037 0.000 0.878 202 D CB 1.225 42.014 40.800 -0.018 0.000 1.198 202 D HN 1.076 nan 8.370 nan 0.000 0.446 203 T N -0.324 114.172 114.554 -0.096 0.000 3.058 203 T HA 0.417 4.767 4.350 0.000 0.000 0.278 203 T C 1.103 175.771 174.700 -0.054 0.000 0.974 203 T CA 0.404 62.347 62.100 -0.261 0.000 0.893 203 T CB 0.280 68.511 68.868 -1.062 0.000 1.138 203 T HN 0.604 nan 8.240 nan 0.000 0.529 204 G N 0.814 109.589 108.800 -0.042 0.000 2.192 204 G HA2 -0.142 3.818 3.960 0.000 0.000 0.193 204 G HA3 -0.142 3.818 3.960 0.000 0.000 0.193 204 G C 0.231 175.105 174.900 -0.044 0.000 0.999 204 G CA -0.137 44.914 45.100 -0.082 0.000 0.659 204 G HN 0.515 nan 8.290 nan 0.000 0.503 205 F N 1.451 121.506 119.950 0.175 0.000 2.661 205 F HA 0.461 4.988 4.527 0.000 0.000 0.306 205 F C 1.521 177.478 175.800 0.262 0.000 1.094 205 F CA 0.427 58.551 58.000 0.206 0.000 1.254 205 F CB 1.152 40.255 39.000 0.173 0.000 1.040 205 F HN 0.703 nan 8.300 nan 0.000 0.562 206 G N 1.072 110.083 108.800 0.352 0.000 2.525 206 G HA2 0.211 4.171 3.960 0.000 0.000 0.685 206 G HA3 0.211 4.171 3.960 0.000 0.000 0.685 206 G C -1.481 173.572 174.900 0.254 0.000 1.290 206 G CA -0.671 44.592 45.100 0.272 0.000 0.915 206 G HN 0.415 nan 8.290 nan 0.000 0.548 207 A N 0.075 123.036 122.820 0.234 0.000 2.337 207 A HA 1.145 5.465 4.320 0.000 0.000 0.329 207 A C 0.226 177.962 177.584 0.253 0.000 1.146 207 A CA 0.666 52.812 52.037 0.182 0.000 0.800 207 A CB 1.168 20.259 19.000 0.152 0.000 1.220 207 A HN 2.571 nan 8.150 nan 0.000 0.472 208 M N 0.092 119.754 119.600 0.103 0.000 3.417 208 M HA 0.365 4.845 4.480 0.000 0.000 0.309 208 M C -2.441 173.775 176.300 -0.139 0.000 1.072 208 M CA -0.746 54.625 55.300 0.117 0.000 0.882 208 M CB 1.122 33.812 32.600 0.150 0.000 1.786 208 M HN 0.489 nan 8.290 nan 0.000 0.556 209 D N 0.707 121.101 120.400 -0.009 0.000 2.453 209 D HA 0.519 5.160 4.640 0.000 0.000 0.238 209 D C -0.332 175.960 176.300 -0.014 0.000 1.088 209 D CA -0.400 53.561 54.000 -0.066 0.000 0.854 209 D CB 0.570 41.439 40.800 0.114 0.000 1.076 209 D HN 0.593 nan 8.370 nan 0.000 0.533 210 F N 1.022 121.026 119.950 0.090 0.000 2.206 210 F HA -0.107 4.421 4.527 0.000 0.000 0.298 210 F C 2.326 178.151 175.800 0.041 0.000 1.090 210 F CA 0.505 58.538 58.000 0.055 0.000 1.323 210 F CB 0.158 39.191 39.000 0.056 0.000 1.028 210 F HN 0.289 nan 8.300 nan 0.000 0.492 211 T N -1.174 113.501 114.554 0.201 0.000 2.977 211 T HA -0.151 4.199 4.350 0.000 0.000 0.271 211 T C 1.898 176.654 174.700 0.092 0.000 1.105 211 T CA 1.800 63.975 62.100 0.125 0.000 1.116 211 T CB -0.415 68.507 68.868 0.088 0.000 0.878 211 T HN 0.441 nan 8.240 nan 0.000 0.509 212 T N -1.559 113.052 114.554 0.096 0.000 2.959 212 T HA 0.258 4.608 4.350 0.000 0.000 0.254 212 T C 1.564 176.309 174.700 0.075 0.000 1.003 212 T CA -0.317 61.827 62.100 0.074 0.000 0.950 212 T CB -0.009 68.900 68.868 0.068 0.000 1.090 212 T HN 0.105 nan 8.240 nan 0.000 0.503 213 L N 0.795 122.079 121.223 0.103 0.000 2.509 213 L HA 0.400 4.740 4.340 0.000 0.000 0.222 213 L C 0.456 177.362 176.870 0.060 0.000 1.123 213 L CA 0.960 55.851 54.840 0.085 0.000 0.856 213 L CB -0.742 41.386 42.059 0.116 0.000 0.985 213 L HN 0.518 nan 8.230 nan 0.000 0.456 214 Q N -1.132 118.713 119.800 0.075 0.000 2.490 214 Q HA 0.408 4.748 4.340 0.000 0.000 0.255 214 Q C 0.803 176.815 176.000 0.021 0.000 0.997 214 Q CA -0.068 55.751 55.803 0.026 0.000 0.709 214 Q CB 1.881 30.622 28.738 0.005 0.000 1.255 214 Q HN 0.082 nan 8.270 nan 0.000 0.486 215 A N 2.795 125.616 122.820 0.002 0.000 1.883 215 A HA -0.279 4.041 4.320 0.000 0.000 0.217 215 A C 1.835 179.411 177.584 -0.014 0.000 1.186 215 A CA 1.941 53.976 52.037 -0.002 0.000 0.624 215 A CB -0.502 18.492 19.000 -0.009 0.000 0.822 215 A HN 0.889 nan 8.150 nan 0.000 0.444 216 N N 0.241 118.918 118.700 -0.038 0.000 2.249 216 N HA -0.319 4.421 4.740 0.000 0.000 0.201 216 N C 0.948 176.424 175.510 -0.056 0.000 0.970 216 N CA 2.227 55.237 53.050 -0.066 0.000 0.925 216 N CB -0.395 38.023 38.487 -0.114 0.000 1.046 216 N HN 0.590 nan 8.380 nan 0.000 0.526 217 K N -0.708 119.676 120.400 -0.027 0.000 2.971 217 K HA -0.222 4.098 4.320 0.000 0.000 0.265 217 K C -0.972 175.640 176.600 0.020 0.000 1.052 217 K CA 1.121 57.415 56.287 0.011 0.000 0.780 217 K CB -1.522 30.996 32.500 0.030 0.000 1.214 217 K HN 0.493 nan 8.250 nan 0.000 0.478 218 S N -1.291 114.339 115.700 -0.117 0.000 2.640 218 S HA 0.149 4.619 4.470 0.000 0.000 0.163 218 S C -0.255 174.114 174.600 -0.384 0.000 0.936 218 S CA -0.846 57.152 58.200 -0.337 0.000 1.081 218 S CB 0.416 63.260 63.200 -0.592 0.000 1.720 218 S HN 0.319 nan 8.310 nan 0.000 0.488 219 E N 0.917 120.910 120.200 -0.346 0.000 2.526 219 E HA 0.262 4.612 4.350 0.000 0.000 0.208 219 E C 0.407 176.677 176.600 -0.550 0.000 0.997 219 E CA 0.125 56.226 56.400 -0.498 0.000 0.961 219 E CB 1.402 30.770 29.700 -0.554 0.000 1.030 219 E HN 0.674 nan 8.360 nan 0.000 0.483 220 V N -2.237 117.471 119.914 -0.344 0.000 2.932 220 V HA 0.444 4.564 4.120 0.000 0.000 0.307 220 V C -3.075 173.110 176.094 0.153 0.000 1.147 220 V CA -3.127 59.074 62.300 -0.165 0.000 0.951 220 V CB 1.844 33.411 31.823 -0.427 0.000 1.031 220 V HN -0.255 nan 8.190 nan 0.000 0.426 221 P HA -0.060 nan 4.420 nan 0.000 0.267 221 P C 1.064 178.562 177.300 0.330 0.000 1.158 221 P CA 0.334 63.650 63.100 0.360 0.000 0.756 221 P CB 0.296 32.277 31.700 0.468 0.000 0.766 222 L N 3.385 124.738 121.223 0.216 0.000 2.149 222 L HA -0.307 4.033 4.340 0.000 0.000 0.223 222 L C 1.891 178.964 176.870 0.338 0.000 1.089 222 L CA 2.651 57.568 54.840 0.127 0.000 0.800 222 L CB -1.307 40.723 42.059 -0.048 0.000 0.897 222 L HN 0.549 nan 8.230 nan 0.000 0.443 223 D N -1.389 119.307 120.400 0.493 0.000 2.178 223 D HA -0.169 4.471 4.640 0.000 0.000 0.202 223 D C 1.848 178.345 176.300 0.327 0.000 0.974 223 D CA 1.931 56.187 54.000 0.426 0.000 0.841 223 D CB -0.400 40.646 40.800 0.411 0.000 0.953 223 D HN 0.557 nan 8.370 nan 0.000 0.478 224 I N -0.462 120.313 120.570 0.342 0.000 3.616 224 I HA 0.065 4.235 4.170 0.000 0.000 0.296 224 I C 1.958 178.339 176.117 0.441 0.000 1.226 224 I CA 0.127 61.659 61.300 0.388 0.000 1.394 224 I CB -0.795 37.503 38.000 0.497 0.000 1.171 224 I HN 0.094 nan 8.210 nan 0.000 0.442 225 C N 1.728 121.194 119.300 0.277 0.000 2.403 225 C HA -0.190 4.270 4.460 0.000 0.000 0.282 225 C C 2.466 177.605 174.990 0.248 0.000 1.200 225 C CA 1.627 60.767 59.018 0.203 0.000 1.846 225 C CB -2.566 25.270 27.740 0.161 0.000 2.115 225 C HN 0.722 nan 8.230 nan 0.000 0.497 226 T N -2.610 112.077 114.554 0.222 0.000 3.092 226 T HA 0.335 4.685 4.350 0.000 0.000 0.258 226 T C 0.506 175.294 174.700 0.147 0.000 1.031 226 T CA 0.293 62.489 62.100 0.161 0.000 0.925 226 T CB 0.049 68.988 68.868 0.119 0.000 1.036 226 T HN 0.595 nan 8.240 nan 0.000 0.544 227 S N 1.134 116.952 115.700 0.197 0.000 2.694 227 S HA 0.819 5.289 4.470 0.000 0.000 0.286 227 S C -0.824 173.764 174.600 -0.020 0.000 1.080 227 S CA -0.850 57.413 58.200 0.104 0.000 0.953 227 S CB 0.561 63.827 63.200 0.109 0.000 1.313 227 S HN 0.247 nan 8.310 nan 0.000 0.555 228 I N 0.458 120.965 120.570 -0.106 0.000 2.499 228 I HA 0.330 4.500 4.170 0.000 0.000 0.288 228 I C -1.068 174.916 176.117 -0.221 0.000 1.048 228 I CA -0.304 60.840 61.300 -0.261 0.000 1.062 228 I CB 1.187 38.981 38.000 -0.342 0.000 1.238 228 I HN 0.474 nan 8.210 nan 0.000 0.426 229 C N 5.833 124.953 119.300 -0.300 0.000 2.289 229 C HA 0.353 4.813 4.460 0.000 0.000 0.340 229 C C 0.579 175.558 174.990 -0.018 0.000 1.152 229 C CA -0.562 58.394 59.018 -0.103 0.000 1.650 229 C CB -1.285 26.426 27.740 -0.048 0.000 2.203 229 C HN 0.610 nan 8.230 nan 0.000 0.511 230 K N 2.514 122.939 120.400 0.041 0.000 2.164 230 K HA 0.439 4.759 4.320 0.000 0.000 0.258 230 K C -1.111 175.635 176.600 0.242 0.000 0.951 230 K CA -0.523 55.791 56.287 0.045 0.000 0.844 230 K CB 1.870 34.271 32.500 -0.166 0.000 1.099 230 K HN 0.551 nan 8.250 nan 0.000 0.435 231 Y N 3.164 123.463 120.300 -0.001 0.000 2.350 231 Y HA 0.299 4.849 4.550 0.000 0.000 0.338 231 Y C -2.581 173.218 175.900 -0.169 0.000 0.961 231 Y CA -2.877 55.221 58.100 -0.004 0.000 1.100 231 Y CB 1.462 39.910 38.460 -0.021 0.000 1.179 231 Y HN 0.427 nan 8.280 nan 0.000 0.454 232 P HA -0.063 nan 4.420 nan 0.000 0.261 232 P C -0.655 175.990 177.300 -1.092 0.000 1.183 232 P CA 0.553 63.125 63.100 -0.880 0.000 0.761 232 P CB 0.448 31.575 31.700 -0.954 0.000 0.785 233 D N 2.947 122.968 120.400 -0.631 0.000 2.619 233 D HA 0.045 4.685 4.640 0.000 0.000 0.224 233 D C 0.774 176.832 176.300 -0.404 0.000 1.133 233 D CA -0.105 53.626 54.000 -0.448 0.000 1.017 233 D CB -0.602 40.043 40.800 -0.259 0.000 1.077 233 D HN 0.354 nan 8.370 nan 0.000 0.503 234 Y N 1.336 121.428 120.300 -0.346 0.000 2.069 234 Y HA -0.325 4.225 4.550 0.000 0.000 0.278 234 Y C 2.257 178.021 175.900 -0.226 0.000 1.175 234 Y CA 0.442 58.320 58.100 -0.370 0.000 1.134 234 Y CB -0.117 38.099 38.460 -0.406 0.000 0.965 234 Y HN 0.345 nan 8.280 nan 0.000 0.498 235 I N 0.456 121.026 120.570 -0.000 0.000 2.194 235 I HA -0.343 3.827 4.170 0.000 0.000 0.246 235 I C 2.304 178.408 176.117 -0.022 0.000 1.093 235 I CA 1.764 63.066 61.300 0.004 0.000 1.355 235 I CB -1.156 36.849 38.000 0.008 0.000 1.046 235 I HN 0.312 nan 8.210 nan 0.000 0.413 236 K N 0.503 120.865 120.400 -0.062 0.000 2.021 236 K HA -0.031 4.289 4.320 0.000 0.000 0.205 236 K C 2.257 178.828 176.600 -0.049 0.000 1.047 236 K CA 0.858 57.112 56.287 -0.056 0.000 0.943 236 K CB 0.025 32.475 32.500 -0.083 0.000 0.725 236 K HN 0.188 nan 8.250 nan 0.000 0.439 237 M N 0.795 120.346 119.600 -0.083 0.000 2.195 237 M HA -0.187 4.293 4.480 0.000 0.000 0.260 237 M C 2.139 178.435 176.300 -0.006 0.000 1.066 237 M CA 1.320 56.584 55.300 -0.061 0.000 1.089 237 M CB -0.418 32.117 32.600 -0.108 0.000 1.377 237 M HN -0.043 nan 8.290 nan 0.000 0.411 238 V N -0.329 119.581 119.914 -0.008 0.000 2.307 238 V HA -0.191 3.929 4.120 0.000 0.000 0.245 238 V C 2.198 178.330 176.094 0.064 0.000 1.045 238 V CA 2.008 64.332 62.300 0.041 0.000 1.024 238 V CB -0.679 31.167 31.823 0.038 0.000 0.651 238 V HN 0.420 nan 8.190 nan 0.000 0.449 239 S N -0.575 115.151 115.700 0.044 0.000 2.595 239 S HA -0.063 4.407 4.470 0.000 0.000 0.235 239 S C 0.854 175.489 174.600 0.058 0.000 0.974 239 S CA 0.192 58.422 58.200 0.049 0.000 0.942 239 S CB -0.457 62.761 63.200 0.029 0.000 0.766 239 S HN 0.714 nan 8.310 nan 0.000 0.536 240 E N 3.396 123.633 120.200 0.062 0.000 2.480 240 E HA 0.010 4.360 4.350 0.000 0.000 0.258 240 E C -1.007 175.670 176.600 0.129 0.000 0.984 240 E CA -1.346 55.105 56.400 0.085 0.000 0.930 240 E CB 0.473 30.220 29.700 0.079 0.000 0.936 240 E HN 0.091 nan 8.360 nan 0.000 0.466 241 P HA -0.200 nan 4.420 nan 0.000 0.197 241 P C 0.660 178.027 177.300 0.112 0.000 1.076 241 P CA 1.161 64.307 63.100 0.076 0.000 0.876 241 P CB -0.347 31.365 31.700 0.019 0.000 0.705 242 Y N 0.157 120.482 120.300 0.042 0.000 2.465 242 Y HA -0.093 4.457 4.550 0.000 0.000 0.277 242 Y C 1.896 177.942 175.900 0.244 0.000 1.190 242 Y CA 1.545 59.713 58.100 0.112 0.000 1.385 242 Y CB -1.732 36.769 38.460 0.068 0.000 0.966 242 Y HN 0.367 nan 8.280 nan 0.000 0.579 243 G N 0.065 109.070 108.800 0.343 0.000 2.295 243 G HA2 -0.348 3.612 3.960 0.000 0.000 0.287 243 G HA3 -0.348 3.612 3.960 0.000 0.000 0.287 243 G C 0.420 175.503 174.900 0.306 0.000 1.055 243 G CA 0.651 45.935 45.100 0.308 0.000 0.922 243 G HN 0.460 nan 8.290 nan 0.000 0.503 244 D N -0.400 120.146 120.400 0.243 0.000 2.323 244 D HA 0.128 4.768 4.640 0.000 0.000 0.218 244 D C 2.531 178.847 176.300 0.028 0.000 0.973 244 D CA 1.037 55.158 54.000 0.202 0.000 0.890 244 D CB 0.071 40.984 40.800 0.189 0.000 1.011 244 D HN 0.365 nan 8.370 nan 0.000 0.499 245 S N 0.651 116.355 115.700 0.007 0.000 2.490 245 S HA -0.166 4.304 4.470 0.000 0.000 0.243 245 S C 1.037 175.531 174.600 -0.177 0.000 1.052 245 S CA 1.187 59.347 58.200 -0.066 0.000 1.254 245 S CB -0.683 62.487 63.200 -0.050 0.000 1.191 245 S HN 0.399 nan 8.310 nan 0.000 0.422 246 L N -1.640 119.489 121.223 -0.158 0.000 2.333 246 L HA 0.727 5.067 4.340 0.000 0.000 0.263 246 L C -0.037 176.818 176.870 -0.026 0.000 1.014 246 L CA -0.973 53.726 54.840 -0.235 0.000 0.820 246 L CB 1.579 43.611 42.059 -0.044 0.000 1.352 246 L HN 0.357 nan 8.230 nan 0.000 0.421 247 F N -0.335 119.740 119.950 0.208 0.000 2.658 247 F HA 0.500 5.027 4.527 0.000 0.000 0.293 247 F C -0.066 175.881 175.800 0.246 0.000 0.986 247 F CA -0.846 57.279 58.000 0.208 0.000 1.182 247 F CB -0.276 38.831 39.000 0.178 0.000 0.965 247 F HN 0.328 nan 8.300 nan 0.000 0.659 248 F N 2.581 122.896 119.950 0.609 0.000 2.508 248 F HA 0.669 5.196 4.527 0.000 0.000 0.325 248 F C -1.085 174.806 175.800 0.150 0.000 1.090 248 F CA -2.217 55.922 58.000 0.233 0.000 0.945 248 F CB 1.653 40.775 39.000 0.203 0.000 1.156 248 F HN 0.123 nan 8.300 nan 0.000 0.463 249 Y N 4.396 124.107 120.300 -0.983 0.000 2.573 249 Y HA 0.652 5.202 4.550 0.000 0.000 0.328 249 Y C -2.640 172.777 175.900 -0.806 0.000 1.170 249 Y CA -2.115 55.527 58.100 -0.763 0.000 1.078 249 Y CB 0.641 38.902 38.460 -0.332 0.000 1.341 249 Y HN 0.562 nan 8.280 nan 0.000 0.459 250 L N 2.081 122.927 121.223 -0.628 0.000 2.482 250 L HA 0.802 5.142 4.340 0.000 0.000 0.263 250 L C -0.683 176.062 176.870 -0.209 0.000 0.957 250 L CA -1.606 52.919 54.840 -0.525 0.000 0.836 250 L CB 2.005 43.729 42.059 -0.558 0.000 1.324 250 L HN 0.948 nan 8.230 nan 0.000 0.406 251 R N 0.729 121.164 120.500 -0.108 0.000 2.892 251 R HA 0.972 5.312 4.340 0.000 0.000 0.265 251 R C -0.688 175.606 176.300 -0.009 0.000 1.025 251 R CA -1.002 55.103 56.100 0.009 0.000 0.982 251 R CB 2.112 32.450 30.300 0.063 0.000 1.185 251 R HN 0.652 nan 8.270 nan 0.000 0.484 252 R N 0.773 121.303 120.500 0.049 0.000 3.021 252 R HA 0.114 4.454 4.340 0.000 0.000 0.206 252 R C -1.588 174.756 176.300 0.072 0.000 1.593 252 R CA -0.135 55.988 56.100 0.038 0.000 1.243 252 R CB 0.625 30.925 30.300 -0.001 0.000 1.573 252 R HN 0.900 nan 8.270 nan 0.000 0.640 253 E N 1.695 121.949 120.200 0.090 0.000 2.212 253 E HA 0.486 4.836 4.350 0.000 0.000 0.270 253 E C -0.846 175.798 176.600 0.073 0.000 0.956 253 E CA -1.061 55.394 56.400 0.092 0.000 0.825 253 E CB 1.844 31.612 29.700 0.113 0.000 1.167 253 E HN 0.415 nan 8.360 nan 0.000 0.400 254 Q N 1.834 121.677 119.800 0.070 0.000 2.527 254 Q HA 0.613 4.953 4.340 0.000 0.000 0.280 254 Q C -1.107 174.943 176.000 0.084 0.000 0.977 254 Q CA -1.032 54.814 55.803 0.073 0.000 0.837 254 Q CB 2.186 30.966 28.738 0.069 0.000 1.454 254 Q HN 0.607 nan 8.270 nan 0.000 0.387 255 M N 1.740 121.406 119.600 0.111 0.000 3.015 255 M HA 0.679 5.159 4.480 0.000 0.000 0.272 255 M C -2.167 174.263 176.300 0.217 0.000 1.085 255 M CA -0.476 54.892 55.300 0.113 0.000 0.795 255 M CB 2.151 34.773 32.600 0.038 0.000 1.632 255 M HN 1.061 nan 8.290 nan 0.000 0.535 256 F N 0.158 120.094 119.950 -0.023 0.000 2.858 256 F HA 0.667 5.194 4.527 0.000 0.000 0.319 256 F C -1.539 174.231 175.800 -0.049 0.000 1.166 256 F CA -0.976 57.005 58.000 -0.032 0.000 0.899 256 F CB 0.165 39.142 39.000 -0.037 0.000 1.332 256 F HN 0.409 nan 8.300 nan 0.000 0.461 257 V N 1.456 121.454 119.914 0.139 0.000 2.485 257 V HA 0.392 4.512 4.120 0.000 0.000 0.287 257 V C 0.751 176.733 176.094 -0.186 0.000 1.022 257 V CA 0.121 62.386 62.300 -0.058 0.000 1.067 257 V CB 0.570 32.395 31.823 0.003 0.000 0.967 257 V HN 1.061 nan 8.190 nan 0.000 0.479 258 R N 2.644 122.924 120.500 -0.367 0.000 2.167 258 R HA 0.312 4.652 4.340 0.000 0.000 0.201 258 R C 0.351 176.367 176.300 -0.475 0.000 1.024 258 R CA 0.790 56.656 56.100 -0.390 0.000 1.053 258 R CB 0.162 30.271 30.300 -0.319 0.000 0.987 258 R HN 0.924 nan 8.270 nan 0.000 0.493 259 H N -2.066 116.809 119.070 -0.326 0.000 3.008 259 H HA 0.538 5.094 4.556 0.000 0.000 0.354 259 H C -1.740 173.190 175.328 -0.664 0.000 1.252 259 H CA -0.756 54.999 56.048 -0.489 0.000 1.117 259 H CB 1.679 31.033 29.762 -0.680 0.000 1.857 259 H HN -0.111 nan 8.280 nan 0.000 0.547 260 L N 2.066 122.988 121.223 -0.501 0.000 2.376 260 L HA 0.452 4.792 4.340 0.000 0.000 0.275 260 L C -1.108 175.535 176.870 -0.379 0.000 0.987 260 L CA -0.059 54.496 54.840 -0.475 0.000 0.828 260 L CB 0.800 42.710 42.059 -0.249 0.000 1.249 260 L HN 0.456 nan 8.230 nan 0.000 0.409 261 F N 0.637 120.371 119.950 -0.360 0.000 2.631 261 F HA 0.508 5.035 4.527 0.000 0.000 0.350 261 F C 0.233 175.926 175.800 -0.179 0.000 1.080 261 F CA -1.038 56.727 58.000 -0.393 0.000 1.026 261 F CB 1.990 40.472 39.000 -0.863 0.000 1.347 261 F HN 0.452 nan 8.300 nan 0.000 0.501 262 N N 0.542 119.376 118.700 0.223 0.000 2.504 262 N HA 0.193 4.933 4.740 0.000 0.000 0.280 262 N C -1.212 174.463 175.510 0.274 0.000 1.052 262 N CA -0.786 52.389 53.050 0.208 0.000 0.887 262 N CB 0.806 39.364 38.487 0.118 0.000 1.323 262 N HN 0.391 nan 8.380 nan 0.000 0.509 263 R N 1.956 122.656 120.500 0.334 0.000 2.473 263 R HA 0.055 4.395 4.340 0.000 0.000 0.315 263 R C 0.137 176.456 176.300 0.032 0.000 0.972 263 R CA 0.055 56.249 56.100 0.157 0.000 1.047 263 R CB -0.051 30.277 30.300 0.047 0.000 0.932 263 R HN 0.510 nan 8.270 nan 0.000 0.411 264 A N 1.981 124.807 122.820 0.010 0.000 2.313 264 A HA 0.670 4.991 4.320 0.000 0.000 0.261 264 A C 0.745 178.304 177.584 -0.042 0.000 1.090 264 A CA 0.518 52.544 52.037 -0.019 0.000 0.807 264 A CB 0.619 19.604 19.000 -0.025 0.000 1.055 264 A HN 0.859 nan 8.150 nan 0.000 0.492 265 G N -1.138 107.639 108.800 -0.039 0.000 2.381 265 G HA2 0.456 4.416 3.960 0.000 0.000 0.672 265 G HA3 0.456 4.416 3.960 0.000 0.000 0.672 265 G C -0.217 174.661 174.900 -0.037 0.000 1.324 265 G CA -0.031 45.043 45.100 -0.043 0.000 0.975 265 G HN 2.015 nan 8.290 nan 0.000 0.593 266 T N -1.783 112.750 114.554 -0.035 0.000 2.910 266 T HA 0.601 4.951 4.350 0.000 0.000 0.293 266 T C 0.645 175.326 174.700 -0.031 0.000 1.015 266 T CA -0.106 61.976 62.100 -0.029 0.000 1.094 266 T CB 1.494 70.347 68.868 -0.026 0.000 0.968 266 T HN 1.489 nan 8.240 nan 0.000 0.521 267 V N 3.447 123.344 119.914 -0.028 0.000 2.585 267 V HA 0.386 4.506 4.120 0.000 0.000 0.296 267 V C 1.556 177.636 176.094 -0.024 0.000 1.035 267 V CA 0.571 62.854 62.300 -0.029 0.000 1.084 267 V CB 0.418 32.228 31.823 -0.022 0.000 0.953 267 V HN 1.206 nan 8.190 nan 0.000 0.483 268 G N 3.942 112.726 108.800 -0.027 0.000 2.641 268 G HA2 0.145 4.105 3.960 0.000 0.000 0.207 268 G HA3 0.145 4.105 3.960 0.000 0.000 0.207 268 G C 0.359 175.249 174.900 -0.017 0.000 1.137 268 G CA -0.068 45.018 45.100 -0.023 0.000 0.824 268 G HN 0.655 nan 8.290 nan 0.000 0.547 269 E N 0.351 120.541 120.200 -0.017 0.000 2.238 269 E HA 0.411 4.761 4.350 0.000 0.000 0.267 269 E C -1.453 175.146 176.600 -0.002 0.000 0.887 269 E CA -0.660 55.736 56.400 -0.008 0.000 0.769 269 E CB 1.821 31.516 29.700 -0.009 0.000 1.187 269 E HN 0.040 nan 8.360 nan 0.000 0.416 270 N N 0.413 119.120 118.700 0.012 0.000 2.443 270 N HA 0.212 4.952 4.740 0.000 0.000 0.295 270 N C -0.999 174.542 175.510 0.050 0.000 1.076 270 N CA -0.494 52.571 53.050 0.025 0.000 0.919 270 N CB 1.491 40.002 38.487 0.040 0.000 1.176 270 N HN 0.122 nan 8.380 nan 0.000 0.487 271 V N 3.498 123.445 119.914 0.054 0.000 2.557 271 V HA 0.075 4.195 4.120 0.000 0.000 0.301 271 V C -1.883 174.339 176.094 0.213 0.000 1.026 271 V CA -0.837 61.523 62.300 0.099 0.000 1.137 271 V CB -0.071 31.756 31.823 0.006 0.000 0.917 271 V HN 0.645 nan 8.190 nan 0.000 0.484 272 P HA 0.103 nan 4.420 nan 0.000 0.266 272 P C 0.101 177.494 177.300 0.154 0.000 1.215 272 P CA -0.202 62.984 63.100 0.143 0.000 0.763 272 P CB 0.301 32.054 31.700 0.088 0.000 0.806 273 D N 1.243 121.641 120.400 -0.003 0.000 2.407 273 D HA -0.153 4.487 4.640 0.000 0.000 0.234 273 D C 0.512 176.581 176.300 -0.385 0.000 1.029 273 D CA 0.700 54.487 54.000 -0.355 0.000 0.937 273 D CB -0.571 40.082 40.800 -0.245 0.000 0.882 273 D HN 0.402 nan 8.370 nan 0.000 0.531 274 D N 0.013 120.317 120.400 -0.160 0.000 2.407 274 D HA -0.026 4.614 4.640 0.000 0.000 0.208 274 D C 1.523 177.809 176.300 -0.023 0.000 1.083 274 D CA -0.141 53.800 54.000 -0.099 0.000 0.844 274 D CB -0.120 40.656 40.800 -0.040 0.000 0.967 274 D HN 0.294 nan 8.370 nan 0.000 0.506 275 L N -0.254 121.012 121.223 0.072 0.000 2.592 275 L HA 0.209 4.549 4.340 0.000 0.000 0.227 275 L C 0.197 177.261 176.870 0.323 0.000 1.127 275 L CA -0.028 54.934 54.840 0.202 0.000 0.884 275 L CB -0.517 41.704 42.059 0.271 0.000 1.065 275 L HN 0.117 nan 8.230 nan 0.000 0.457 276 Y N -2.219 118.098 120.300 0.028 0.000 2.982 276 Y HA 0.598 5.148 4.550 0.000 0.000 0.355 276 Y C -1.533 174.382 175.900 0.026 0.000 1.408 276 Y CA -1.898 56.221 58.100 0.032 0.000 1.107 276 Y CB 0.768 39.253 38.460 0.042 0.000 2.117 276 Y HN -0.233 nan 8.280 nan 0.000 0.411 277 I N 1.395 122.074 120.570 0.181 0.000 2.656 277 I HA 0.342 4.512 4.170 0.000 0.000 0.292 277 I C -0.859 175.389 176.117 0.218 0.000 1.144 277 I CA -1.448 59.870 61.300 0.029 0.000 1.038 277 I CB 2.112 40.145 38.000 0.056 0.000 1.244 277 I HN 0.450 nan 8.210 nan 0.000 0.420 278 K N 2.440 122.888 120.400 0.081 0.000 2.508 278 K HA 0.116 4.436 4.320 0.000 0.000 0.273 278 K C 0.454 177.125 176.600 0.119 0.000 0.964 278 K CA 0.337 56.704 56.287 0.134 0.000 0.948 278 K CB 0.693 33.219 32.500 0.043 0.000 0.917 278 K HN 0.942 nan 8.250 nan 0.000 0.512 279 G N -0.175 108.679 108.800 0.090 0.000 3.194 279 G HA2 0.414 4.374 3.960 0.000 0.000 0.160 279 G HA3 0.414 4.374 3.960 0.000 0.000 0.160 279 G C -0.856 174.053 174.900 0.015 0.000 1.267 279 G CA -0.175 44.956 45.100 0.051 0.000 0.962 279 G HN 0.603 nan 8.290 nan 0.000 0.612 280 S N -1.835 113.857 115.700 -0.013 0.000 2.562 280 S HA 0.544 5.014 4.470 0.000 0.000 0.274 280 S C 0.782 175.354 174.600 -0.046 0.000 1.160 280 S CA 0.646 58.835 58.200 -0.018 0.000 0.933 280 S CB 1.139 64.337 63.200 -0.003 0.000 1.100 280 S HN 2.384 nan 8.310 nan 0.000 0.468 281 G N 4.242 113.015 108.800 -0.045 0.000 2.678 281 G HA2 -0.463 3.497 3.960 0.000 0.000 0.362 281 G HA3 -0.463 3.497 3.960 0.000 0.000 0.362 281 G C 1.466 176.299 174.900 -0.113 0.000 1.169 281 G CA 2.687 47.752 45.100 -0.059 0.000 0.933 281 G HN 2.138 nan 8.290 nan 0.000 0.587 282 S N -0.217 115.412 115.700 -0.119 0.000 2.369 282 S HA -0.247 4.223 4.470 0.000 0.000 0.225 282 S C 2.452 176.760 174.600 -0.486 0.000 1.043 282 S CA 3.748 61.822 58.200 -0.210 0.000 1.074 282 S CB -1.600 61.541 63.200 -0.098 0.000 0.962 282 S HN 2.053 nan 8.310 nan 0.000 0.433 283 T N -0.260 114.085 114.554 -0.348 0.000 3.139 283 T HA 0.279 4.629 4.350 0.000 0.000 0.267 283 T C 1.252 175.831 174.700 -0.201 0.000 1.164 283 T CA 0.763 62.672 62.100 -0.318 0.000 1.075 283 T CB -0.490 68.371 68.868 -0.011 0.000 0.904 283 T HN 0.580 nan 8.240 nan 0.000 0.540 284 A N 0.539 123.253 122.820 -0.176 0.000 2.423 284 A HA 0.451 4.771 4.320 0.000 0.000 0.246 284 A C 0.692 178.223 177.584 -0.087 0.000 1.278 284 A CA -0.543 51.448 52.037 -0.078 0.000 0.903 284 A CB -0.133 18.841 19.000 -0.045 0.000 0.997 284 A HN 0.430 nan 8.150 nan 0.000 0.510 285 N N 0.116 118.710 118.700 -0.176 0.000 2.690 285 N HA 0.404 5.144 4.740 0.000 0.000 0.255 285 N C -1.139 174.302 175.510 -0.115 0.000 1.195 285 N CA -0.433 52.546 53.050 -0.119 0.000 0.790 285 N CB 0.347 38.766 38.487 -0.114 0.000 1.216 285 N HN 0.091 nan 8.380 nan 0.000 0.528 286 L N 1.496 122.696 121.223 -0.039 0.000 2.667 286 L HA 0.029 4.369 4.340 0.000 0.000 0.296 286 L C 0.971 177.885 176.870 0.073 0.000 1.252 286 L CA 0.782 55.635 54.840 0.020 0.000 0.891 286 L CB -0.022 42.004 42.059 -0.055 0.000 1.141 286 L HN 0.540 nan 8.230 nan 0.000 0.501 287 A N 2.936 125.879 122.820 0.204 0.000 2.242 287 A HA 0.523 4.843 4.320 0.000 0.000 0.304 287 A C 0.247 177.831 177.584 -0.001 0.000 1.100 287 A CA -0.382 51.735 52.037 0.133 0.000 0.860 287 A CB 0.664 19.790 19.000 0.210 0.000 1.168 287 A HN 0.623 nan 8.150 nan 0.000 0.503 288 S N 0.077 115.754 115.700 -0.038 0.000 2.506 288 S HA 0.069 4.539 4.470 0.000 0.000 0.291 288 S C 1.066 175.507 174.600 -0.266 0.000 1.230 288 S CA 0.387 58.518 58.200 -0.115 0.000 1.107 288 S CB -0.161 62.990 63.200 -0.082 0.000 0.942 288 S HN 0.828 nan 8.310 nan 0.000 0.502 289 S N 4.494 120.016 115.700 -0.296 0.000 2.881 289 S HA 0.123 4.593 4.470 0.000 0.000 0.228 289 S C 0.388 174.575 174.600 -0.690 0.000 0.965 289 S CA -0.125 57.763 58.200 -0.519 0.000 0.998 289 S CB -0.909 62.139 63.200 -0.254 0.000 0.795 289 S HN 0.794 nan 8.310 nan 0.000 0.518 290 N N 1.648 120.032 118.700 -0.527 0.000 2.976 290 N HA 0.219 4.959 4.740 0.000 0.000 0.255 290 N C -1.421 173.982 175.510 -0.179 0.000 1.312 290 N CA -0.349 52.546 53.050 -0.257 0.000 0.897 290 N CB 0.573 38.997 38.487 -0.106 0.000 1.184 290 N HN 0.315 nan 8.380 nan 0.000 0.497 291 Y N 1.227 121.581 120.300 0.090 0.000 2.298 291 Y HA 0.469 5.019 4.550 0.000 0.000 0.329 291 Y C 0.285 176.306 175.900 0.201 0.000 1.293 291 Y CA -0.865 57.297 58.100 0.103 0.000 1.388 291 Y CB 0.354 38.821 38.460 0.012 0.000 1.309 291 Y HN 0.205 nan 8.280 nan 0.000 0.544 292 F N -0.730 119.355 119.950 0.225 0.000 2.668 292 F HA 0.929 5.456 4.527 0.000 0.000 0.309 292 F C -3.578 172.322 175.800 0.166 0.000 1.117 292 F CA -2.623 55.480 58.000 0.171 0.000 0.951 292 F CB 2.056 41.117 39.000 0.103 0.000 1.323 292 F HN 0.226 nan 8.300 nan 0.000 0.451 293 P HA 0.386 nan 4.420 nan 0.000 0.314 293 P C -1.563 175.824 177.300 0.145 0.000 1.401 293 P CA -0.600 62.453 63.100 -0.079 0.000 1.175 293 P CB 2.504 34.187 31.700 -0.029 0.000 1.676 294 T N -0.300 114.202 114.554 -0.086 0.000 2.817 294 T HA 0.509 4.859 4.350 0.000 0.000 0.293 294 T C -2.096 172.504 174.700 -0.166 0.000 0.964 294 T CA -1.746 60.347 62.100 -0.013 0.000 1.085 294 T CB 0.599 69.458 68.868 -0.015 0.000 0.921 294 T HN 0.290 nan 8.240 nan 0.000 0.502 295 P HA 0.529 nan 4.420 nan 0.000 0.297 295 P C -0.745 176.353 177.300 -0.337 0.000 1.307 295 P CA -0.800 62.131 63.100 -0.281 0.000 0.773 295 P CB 1.246 32.790 31.700 -0.260 0.000 1.265 296 S N -1.420 114.054 115.700 -0.376 0.000 2.511 296 S HA 0.487 4.957 4.470 0.000 0.000 0.283 296 S C -0.681 173.800 174.600 -0.199 0.000 1.078 296 S CA -0.641 57.309 58.200 -0.417 0.000 0.994 296 S CB -0.555 62.136 63.200 -0.848 0.000 1.171 296 S HN 0.662 nan 8.310 nan 0.000 0.444 297 G N 2.773 111.542 108.800 -0.052 0.000 2.327 297 G HA2 0.488 4.448 3.960 0.000 0.000 0.302 297 G HA3 0.488 4.448 3.960 0.000 0.000 0.302 297 G C 0.210 175.155 174.900 0.074 0.000 1.113 297 G CA -0.225 44.901 45.100 0.044 0.000 0.921 297 G HN 0.761 nan 8.290 nan 0.000 0.425 298 S N 2.794 118.584 115.700 0.150 0.000 2.608 298 S HA 0.228 4.698 4.470 0.000 0.000 0.261 298 S C 1.134 175.786 174.600 0.085 0.000 1.314 298 S CA -0.690 57.605 58.200 0.159 0.000 0.992 298 S CB 0.203 63.499 63.200 0.160 0.000 0.935 298 S HN 0.762 nan 8.310 nan 0.000 0.564 299 M N 3.377 123.019 119.600 0.070 0.000 2.198 299 M HA -0.114 4.366 4.480 0.000 0.000 0.561 299 M C -0.512 175.810 176.300 0.037 0.000 1.329 299 M CA 0.105 55.430 55.300 0.042 0.000 0.671 299 M CB -0.768 31.850 32.600 0.029 0.000 1.882 299 M HN 0.467 nan 8.290 nan 0.000 0.559 300 V N 3.638 123.572 119.914 0.034 0.000 2.614 300 V HA 0.553 4.673 4.120 0.000 0.000 0.291 300 V C 0.301 176.411 176.094 0.027 0.000 1.049 300 V CA -0.389 61.931 62.300 0.035 0.000 1.038 300 V CB 1.291 33.135 31.823 0.035 0.000 0.980 300 V HN 0.842 nan 8.190 nan 0.000 0.481 301 T N 2.561 117.131 114.554 0.027 0.000 2.861 301 T HA 0.361 4.711 4.350 0.000 0.000 0.287 301 T C 0.974 175.685 174.700 0.019 0.000 1.003 301 T CA 0.379 62.490 62.100 0.019 0.000 0.977 301 T CB 1.934 70.809 68.868 0.013 0.000 0.996 301 T HN 0.930 nan 8.240 nan 0.000 0.448 302 S N 2.597 118.305 115.700 0.014 0.000 2.353 302 S HA -0.107 4.363 4.470 0.000 0.000 0.222 302 S C 0.829 175.434 174.600 0.008 0.000 1.035 302 S CA 1.611 59.819 58.200 0.013 0.000 1.025 302 S CB -0.455 62.749 63.200 0.007 0.000 0.902 302 S HN 0.828 nan 8.310 nan 0.000 0.440 303 D N 1.057 121.458 120.400 0.003 0.000 2.924 303 D HA 0.358 4.998 4.640 0.000 0.000 0.239 303 D C 0.304 176.601 176.300 -0.004 0.000 1.198 303 D CA 0.573 54.572 54.000 -0.003 0.000 0.958 303 D CB -0.150 40.647 40.800 -0.004 0.000 1.169 303 D HN 0.348 nan 8.370 nan 0.000 0.438 304 A N 0.073 122.891 122.820 -0.003 0.000 2.504 304 A HA -0.009 4.311 4.320 0.000 0.000 0.233 304 A C 0.264 177.838 177.584 -0.016 0.000 1.079 304 A CA -0.451 51.579 52.037 -0.011 0.000 1.080 304 A CB 0.246 19.245 19.000 -0.002 0.000 1.144 304 A HN -0.019 nan 8.150 nan 0.000 0.491 305 Q N 0.911 120.709 119.800 -0.005 0.000 2.264 305 Q HA 0.047 4.387 4.340 0.000 0.000 0.296 305 Q C 1.039 176.977 176.000 -0.103 0.000 1.103 305 Q CA 0.145 55.944 55.803 -0.007 0.000 0.967 305 Q CB 0.337 29.093 28.738 0.030 0.000 1.090 305 Q HN 0.499 nan 8.270 nan 0.000 0.379 306 I N 2.193 122.597 120.570 -0.276 0.000 3.251 306 I HA -0.000 4.170 4.170 0.000 0.000 0.277 306 I C 0.516 176.249 176.117 -0.639 0.000 1.268 306 I CA 0.574 61.544 61.300 -0.549 0.000 1.449 306 I CB -0.471 36.926 38.000 -1.005 0.000 1.083 306 I HN 0.314 nan 8.210 nan 0.000 0.464 307 F N 0.319 120.324 119.950 0.091 0.000 2.507 307 F HA 0.418 4.945 4.527 0.000 0.000 0.327 307 F C 1.247 177.015 175.800 -0.054 0.000 1.068 307 F CA -0.682 57.346 58.000 0.047 0.000 0.965 307 F CB 0.888 39.898 39.000 0.016 0.000 1.192 307 F HN -0.157 nan 8.300 nan 0.000 0.476 308 N N -0.016 118.707 118.700 0.039 0.000 2.997 308 N HA -0.220 4.520 4.740 0.000 0.000 0.214 308 N C -0.517 174.894 175.510 -0.164 0.000 0.904 308 N CA 0.711 53.719 53.050 -0.069 0.000 1.021 308 N CB -0.618 37.857 38.487 -0.020 0.000 1.040 308 N HN 0.652 nan 8.380 nan 0.000 0.573 309 K N 0.971 121.237 120.400 -0.224 0.000 2.164 309 K HA 0.498 4.818 4.320 0.000 0.000 0.258 309 K C -2.770 173.431 176.600 -0.665 0.000 0.951 309 K CA -1.934 54.178 56.287 -0.290 0.000 0.844 309 K CB 1.648 34.068 32.500 -0.134 0.000 1.099 309 K HN -0.126 nan 8.250 nan 0.000 0.435 310 P HA 0.155 nan 4.420 nan 0.000 0.293 310 P C -1.522 175.067 177.300 -1.186 0.000 1.300 310 P CA -0.276 62.172 63.100 -1.086 0.000 0.792 310 P CB 0.322 31.458 31.700 -0.940 0.000 0.925 311 Y N 1.430 121.215 120.300 -0.857 0.000 2.328 311 Y HA 0.382 4.932 4.550 0.000 0.000 0.337 311 Y C 0.131 175.475 175.900 -0.926 0.000 1.008 311 Y CA -0.832 56.736 58.100 -0.886 0.000 1.129 311 Y CB 1.133 38.994 38.460 -0.998 0.000 1.185 311 Y HN 0.330 nan 8.280 nan 0.000 0.476 312 W N 4.867 125.980 121.300 -0.313 0.000 2.294 312 W HA 0.479 5.139 4.660 0.000 0.000 0.314 312 W C -0.147 176.199 176.519 -0.289 0.000 1.044 312 W CA -0.676 56.513 57.345 -0.261 0.000 1.284 312 W CB 1.076 30.454 29.460 -0.136 0.000 1.231 312 W HN 0.522 nan 8.180 nan 0.000 0.419 313 L N 4.072 125.285 121.223 -0.017 0.000 2.685 313 L HA -0.026 4.314 4.340 0.000 0.000 0.233 313 L C 2.328 179.127 176.870 -0.119 0.000 1.173 313 L CA 0.137 54.875 54.840 -0.170 0.000 0.961 313 L CB -0.377 41.516 42.059 -0.276 0.000 1.217 313 L HN 0.629 nan 8.230 nan 0.000 0.478 314 Q N 0.700 120.478 119.800 -0.037 0.000 2.118 314 Q HA -0.219 4.121 4.340 0.000 0.000 0.211 314 Q C 1.216 177.194 176.000 -0.037 0.000 0.998 314 Q CA 1.423 57.209 55.803 -0.028 0.000 0.872 314 Q CB -0.051 28.678 28.738 -0.014 0.000 0.925 314 Q HN 0.447 nan 8.270 nan 0.000 0.414 315 R N -0.475 120.009 120.500 -0.027 0.000 3.084 315 R HA 0.789 5.129 4.340 0.000 0.000 0.234 315 R C -1.653 174.641 176.300 -0.010 0.000 1.433 315 R CA -0.141 55.947 56.100 -0.019 0.000 1.053 315 R CB 2.222 32.521 30.300 -0.002 0.000 1.449 315 R HN 0.285 nan 8.270 nan 0.000 0.505 316 A N 0.630 123.460 122.820 0.016 0.000 2.449 316 A HA 0.105 4.425 4.320 0.000 0.000 0.304 316 A C -0.738 176.886 177.584 0.066 0.000 1.004 316 A CA -0.729 51.346 52.037 0.064 0.000 0.871 316 A CB 0.712 19.757 19.000 0.074 0.000 1.092 316 A HN 0.726 nan 8.150 nan 0.000 0.364 317 Q N 1.150 120.999 119.800 0.082 0.000 2.500 317 Q HA 0.300 4.640 4.340 0.000 0.000 0.213 317 Q C 0.904 176.923 176.000 0.031 0.000 0.974 317 Q CA 1.296 57.125 55.803 0.043 0.000 0.918 317 Q CB -0.136 28.638 28.738 0.060 0.000 0.980 317 Q HN 1.255 nan 8.270 nan 0.000 0.505 318 G N -1.146 107.717 108.800 0.105 0.000 2.511 318 G HA2 0.318 4.278 3.960 0.000 0.000 0.316 318 G HA3 0.318 4.278 3.960 0.000 0.000 0.316 318 G C -0.685 174.284 174.900 0.114 0.000 1.210 318 G CA -0.584 44.605 45.100 0.149 0.000 0.969 318 G HN 0.227 nan 8.290 nan 0.000 0.492 319 H N -0.727 118.473 119.070 0.216 0.000 2.372 319 H HA 0.043 4.599 4.556 0.000 0.000 0.301 319 H C 1.529 177.024 175.328 0.278 0.000 1.065 319 H CA 0.785 56.968 56.048 0.226 0.000 1.364 319 H CB 0.244 30.150 29.762 0.240 0.000 1.406 319 H HN 0.385 nan 8.280 nan 0.000 0.521 320 N N 0.860 119.854 118.700 0.489 0.000 2.482 320 N HA -0.094 4.646 4.740 0.000 0.000 0.260 320 N C -0.022 175.658 175.510 0.284 0.000 1.236 320 N CA 0.354 53.672 53.050 0.447 0.000 0.938 320 N CB 0.762 39.584 38.487 0.559 0.000 1.128 320 N HN 0.261 nan 8.380 nan 0.000 0.448 321 N N 0.325 119.079 118.700 0.090 0.000 2.241 321 N HA 0.255 4.995 4.740 0.000 0.000 0.238 321 N C 0.023 175.310 175.510 -0.372 0.000 1.244 321 N CA 0.355 53.345 53.050 -0.100 0.000 0.880 321 N CB 0.324 38.775 38.487 -0.058 0.000 1.179 321 N HN 0.733 nan 8.380 nan 0.000 0.513 322 G N 0.052 108.588 108.800 -0.439 0.000 2.321 322 G HA2 -0.077 3.883 3.960 0.000 0.000 0.174 322 G HA3 -0.077 3.883 3.960 0.000 0.000 0.174 322 G C -0.585 174.221 174.900 -0.156 0.000 1.008 322 G CA -0.462 44.400 45.100 -0.398 0.000 0.739 322 G HN 0.114 nan 8.290 nan 0.000 0.502 323 I N 2.158 122.591 120.570 -0.229 0.000 2.347 323 I HA 0.220 4.390 4.170 0.000 0.000 0.294 323 I C 0.991 176.816 176.117 -0.487 0.000 1.090 323 I CA -1.007 59.992 61.300 -0.502 0.000 1.314 323 I CB -0.033 37.312 38.000 -1.092 0.000 1.423 323 I HN 0.141 nan 8.210 nan 0.000 0.503 324 C N 6.286 125.474 119.300 -0.187 0.000 3.424 324 C HA 0.075 4.535 4.460 0.000 0.000 0.577 324 C C 0.620 175.585 174.990 -0.042 0.000 1.086 324 C CA -1.118 57.884 59.018 -0.026 0.000 1.153 324 C CB -2.480 25.328 27.740 0.112 0.000 1.411 324 C HN 0.629 nan 8.230 nan 0.000 0.636 325 W N 0.699 122.043 121.300 0.072 0.000 2.561 325 W HA 0.279 4.939 4.660 0.000 0.000 0.343 325 W C 1.355 177.810 176.519 -0.108 0.000 1.190 325 W CA 1.203 58.525 57.345 -0.038 0.000 1.232 325 W CB -0.217 29.209 29.460 -0.057 0.000 1.195 325 W HN 0.885 nan 8.180 nan 0.000 0.571 326 G N 2.683 111.543 108.800 0.100 0.000 2.143 326 G HA2 -0.423 3.537 3.960 0.000 0.000 0.249 326 G HA3 -0.423 3.537 3.960 0.000 0.000 0.249 326 G C 0.496 175.390 174.900 -0.010 0.000 0.981 326 G CA 0.009 45.101 45.100 -0.012 0.000 0.665 326 G HN 0.741 nan 8.290 nan 0.000 0.528 327 N N -1.112 117.598 118.700 0.017 0.000 2.782 327 N HA -0.159 4.581 4.740 0.000 0.000 0.251 327 N C 0.333 175.772 175.510 -0.118 0.000 1.101 327 N CA 1.917 54.956 53.050 -0.019 0.000 0.764 327 N CB -1.071 37.411 38.487 -0.008 0.000 1.122 327 N HN 0.892 nan 8.380 nan 0.000 0.561 328 Q N -0.030 119.681 119.800 -0.147 0.000 2.235 328 Q HA 0.679 5.019 4.340 0.000 0.000 0.256 328 Q C -0.221 175.592 176.000 -0.311 0.000 0.951 328 Q CA -0.304 55.303 55.803 -0.326 0.000 0.890 328 Q CB 2.029 30.496 28.738 -0.452 0.000 1.279 328 Q HN 0.216 nan 8.270 nan 0.000 0.444 329 L N 2.794 123.776 121.223 -0.402 0.000 2.438 329 L HA 0.468 4.808 4.340 0.000 0.000 0.270 329 L C -1.480 175.301 176.870 -0.148 0.000 0.972 329 L CA -0.439 54.294 54.840 -0.177 0.000 0.831 329 L CB 1.368 43.384 42.059 -0.071 0.000 1.273 329 L HN 0.728 nan 8.230 nan 0.000 0.405 330 F N 4.525 124.450 119.950 -0.041 0.000 2.366 330 F HA 0.271 4.798 4.527 0.000 0.000 0.357 330 F C 0.148 175.964 175.800 0.027 0.000 1.107 330 F CA -1.003 56.952 58.000 -0.075 0.000 1.208 330 F CB 1.492 40.367 39.000 -0.207 0.000 1.464 330 F HN 0.110 nan 8.300 nan 0.000 0.501 331 V N 2.147 122.264 119.914 0.339 0.000 2.439 331 V HA 0.075 4.195 4.120 0.000 0.000 0.271 331 V C 0.309 176.569 176.094 0.277 0.000 1.040 331 V CA -0.053 62.407 62.300 0.267 0.000 1.002 331 V CB 0.673 32.605 31.823 0.183 0.000 1.000 331 V HN 0.527 nan 8.190 nan 0.000 0.477 332 T N 4.982 119.662 114.554 0.209 0.000 2.743 332 T HA 0.598 4.948 4.350 0.000 0.000 0.292 332 T C -0.209 174.653 174.700 0.270 0.000 0.972 332 T CA -0.450 61.786 62.100 0.226 0.000 0.967 332 T CB 1.301 70.254 68.868 0.141 0.000 0.926 332 T HN 0.346 nan 8.240 nan 0.000 0.459 333 V N 3.474 123.566 119.914 0.296 0.000 2.715 333 V HA 0.752 4.872 4.120 0.000 0.000 0.310 333 V C -0.371 175.807 176.094 0.140 0.000 1.054 333 V CA -0.772 61.670 62.300 0.237 0.000 0.928 333 V CB 2.186 34.140 31.823 0.217 0.000 1.007 333 V HN 0.692 nan 8.190 nan 0.000 0.437 334 V N 2.643 122.598 119.914 0.069 0.000 2.711 334 V HA 0.590 4.710 4.120 0.000 0.000 0.304 334 V C -1.686 174.419 176.094 0.018 0.000 1.097 334 V CA -0.347 61.920 62.300 -0.053 0.000 0.906 334 V CB 2.160 33.856 31.823 -0.211 0.000 1.015 334 V HN 1.065 nan 8.190 nan 0.000 0.427 335 D N 2.152 122.546 120.400 -0.009 0.000 2.333 335 D HA 0.273 4.913 4.640 0.000 0.000 0.225 335 D C 0.659 176.974 176.300 0.026 0.000 1.345 335 D CA 0.395 54.390 54.000 -0.009 0.000 0.971 335 D CB 1.893 42.539 40.800 -0.257 0.000 1.451 335 D HN 0.585 nan 8.370 nan 0.000 0.561 336 T N -0.794 113.801 114.554 0.069 0.000 3.051 336 T HA -0.042 4.308 4.350 0.000 0.000 0.255 336 T C 1.600 176.340 174.700 0.065 0.000 1.085 336 T CA 1.167 63.309 62.100 0.071 0.000 1.109 336 T CB -0.254 68.661 68.868 0.080 0.000 0.921 336 T HN 0.301 nan 8.240 nan 0.000 0.488 337 T N 0.648 115.244 114.554 0.070 0.000 3.077 337 T HA 0.104 4.454 4.350 0.000 0.000 0.269 337 T C 1.061 175.787 174.700 0.043 0.000 1.146 337 T CA 0.366 62.502 62.100 0.061 0.000 1.091 337 T CB -0.357 68.558 68.868 0.078 0.000 0.892 337 T HN 0.419 nan 8.240 nan 0.000 0.533 338 R N 0.906 121.432 120.500 0.044 0.000 2.674 338 R HA 0.278 4.618 4.340 0.000 0.000 0.270 338 R C 0.711 177.087 176.300 0.127 0.000 1.492 338 R CA -0.001 56.129 56.100 0.048 0.000 1.624 338 R CB 0.787 31.091 30.300 0.007 0.000 1.307 338 R HN 0.398 nan 8.270 nan 0.000 0.683 339 S N -1.825 113.922 115.700 0.079 0.000 2.524 339 S HA 0.020 4.490 4.470 0.000 0.000 0.215 339 S C 0.807 175.225 174.600 -0.303 0.000 0.986 339 S CA -0.285 57.920 58.200 0.008 0.000 0.911 339 S CB 0.399 63.598 63.200 -0.002 0.000 0.805 339 S HN 0.129 nan 8.310 nan 0.000 0.501 340 T N 4.835 119.304 114.554 -0.142 0.000 2.822 340 T HA 0.145 4.495 4.350 0.000 0.000 0.288 340 T C -0.363 174.163 174.700 -0.289 0.000 0.991 340 T CA 0.212 62.212 62.100 -0.166 0.000 1.176 340 T CB -0.346 68.491 68.868 -0.052 0.000 0.951 340 T HN 0.639 nan 8.240 nan 0.000 0.526 341 N N 3.120 121.633 118.700 -0.311 0.000 2.372 341 N HA 0.488 5.228 4.740 0.000 0.000 0.285 341 N C -0.080 175.358 175.510 -0.119 0.000 1.008 341 N CA -0.971 51.909 53.050 -0.283 0.000 0.880 341 N CB 1.056 39.314 38.487 -0.383 0.000 1.239 341 N HN 0.606 nan 8.380 nan 0.000 0.484 342 M N -0.371 119.203 119.600 -0.044 0.000 2.288 342 M HA 0.569 5.049 4.480 0.000 0.000 0.334 342 M C -0.562 175.744 176.300 0.011 0.000 1.150 342 M CA -0.529 54.768 55.300 -0.005 0.000 1.118 342 M CB 1.122 33.733 32.600 0.019 0.000 1.501 342 M HN 0.502 nan 8.290 nan 0.000 0.462 343 S N 3.564 119.284 115.700 0.033 0.000 2.537 343 S HA 0.879 5.349 4.470 0.000 0.000 0.301 343 S C -0.528 174.129 174.600 0.095 0.000 1.092 343 S CA -1.035 57.207 58.200 0.070 0.000 1.048 343 S CB 1.699 64.939 63.200 0.066 0.000 1.053 343 S HN 0.858 nan 8.310 nan 0.000 0.501 344 L N -0.580 120.736 121.223 0.155 0.000 2.445 344 L HA 0.929 5.269 4.340 0.000 0.000 0.262 344 L C -0.909 176.132 176.870 0.285 0.000 0.974 344 L CA -1.033 53.910 54.840 0.171 0.000 0.822 344 L CB 1.542 43.673 42.059 0.119 0.000 1.339 344 L HN 0.992 nan 8.230 nan 0.000 0.409 345 C N 1.765 121.215 119.300 0.249 0.000 2.481 345 C HA 0.973 5.433 4.460 0.000 0.000 0.324 345 C C 0.320 175.489 174.990 0.297 0.000 1.170 345 C CA 0.212 59.414 59.018 0.307 0.000 1.361 345 C CB 0.589 28.467 27.740 0.230 0.000 1.977 345 C HN 1.267 nan 8.230 nan 0.000 0.459 346 A N 3.626 126.636 122.820 0.316 0.000 2.294 346 A HA 0.947 5.267 4.320 0.000 0.000 0.330 346 A C 0.292 177.942 177.584 0.110 0.000 1.133 346 A CA 0.044 52.201 52.037 0.201 0.000 0.836 346 A CB 0.969 20.068 19.000 0.164 0.000 1.190 346 A HN 2.245 nan 8.150 nan 0.000 0.492 347 A N 0.063 122.843 122.820 -0.066 0.000 2.279 347 A HA 0.582 4.902 4.320 0.000 0.000 0.303 347 A C 0.608 178.057 177.584 -0.225 0.000 1.108 347 A CA -0.251 51.555 52.037 -0.384 0.000 0.830 347 A CB 0.295 19.033 19.000 -0.437 0.000 1.106 347 A HN 1.251 nan 8.150 nan 0.000 0.493 348 I N 0.301 120.703 120.570 -0.279 0.000 3.265 348 I HA 0.149 4.319 4.170 0.000 0.000 0.282 348 I C 0.553 176.582 176.117 -0.146 0.000 1.207 348 I CA 1.368 62.575 61.300 -0.154 0.000 1.449 348 I CB 0.143 38.066 38.000 -0.129 0.000 1.121 348 I HN 0.770 nan 8.210 nan 0.000 0.442 349 S N -2.005 113.572 115.700 -0.206 0.000 2.579 349 S HA 0.172 4.642 4.470 0.000 0.000 0.290 349 S C 0.454 174.952 174.600 -0.169 0.000 1.123 349 S CA -0.060 58.051 58.200 -0.147 0.000 0.894 349 S CB 0.185 63.325 63.200 -0.101 0.000 1.095 349 S HN 0.215 nan 8.310 nan 0.000 0.450 350 T N 0.421 114.909 114.554 -0.109 0.000 3.118 350 T HA 0.082 4.432 4.350 0.000 0.000 0.260 350 T C 1.561 176.230 174.700 -0.051 0.000 1.139 350 T CA 1.112 63.165 62.100 -0.078 0.000 1.085 350 T CB -0.568 68.275 68.868 -0.041 0.000 0.934 350 T HN 0.545 nan 8.240 nan 0.000 0.518 351 S N 1.641 117.307 115.700 -0.057 0.000 2.502 351 S HA -0.063 4.407 4.470 0.000 0.000 0.219 351 S C 0.710 175.295 174.600 -0.026 0.000 1.064 351 S CA 0.781 58.959 58.200 -0.037 0.000 1.173 351 S CB -0.637 62.540 63.200 -0.039 0.000 1.118 351 S HN 0.618 nan 8.310 nan 0.000 0.406 352 E N 1.206 121.386 120.200 -0.034 0.000 2.864 352 E HA -0.093 4.257 4.350 0.000 0.000 0.285 352 E C 0.758 177.371 176.600 0.022 0.000 0.965 352 E CA 1.071 57.468 56.400 -0.006 0.000 0.985 352 E CB 0.104 29.796 29.700 -0.014 0.000 1.000 352 E HN 0.593 nan 8.360 nan 0.000 0.475 353 T N -1.962 112.612 114.554 0.035 0.000 3.132 353 T HA 0.220 4.570 4.350 0.000 0.000 0.274 353 T C -0.029 174.712 174.700 0.068 0.000 1.011 353 T CA -0.081 62.049 62.100 0.049 0.000 0.899 353 T CB -0.143 68.746 68.868 0.036 0.000 1.089 353 T HN 0.441 nan 8.240 nan 0.000 0.543 354 T N -0.752 113.849 114.554 0.079 0.000 2.971 354 T HA 0.496 4.846 4.350 0.000 0.000 0.304 354 T C -0.902 173.878 174.700 0.132 0.000 1.038 354 T CA -0.944 61.219 62.100 0.105 0.000 1.007 354 T CB 1.323 70.241 68.868 0.083 0.000 1.055 354 T HN 0.220 nan 8.240 nan 0.000 0.451 355 Y N 3.012 123.360 120.300 0.080 0.000 2.721 355 Y HA 0.326 4.876 4.550 0.000 0.000 0.329 355 Y C 0.063 176.028 175.900 0.109 0.000 1.211 355 Y CA 0.351 58.506 58.100 0.090 0.000 1.512 355 Y CB 0.412 38.862 38.460 -0.016 0.000 1.249 355 Y HN 0.574 nan 8.280 nan 0.000 0.549 356 K N 5.921 126.093 120.400 -0.381 0.000 2.463 356 K HA 0.100 4.420 4.320 0.000 0.000 0.255 356 K C 0.255 176.703 176.600 -0.253 0.000 0.942 356 K CA -0.796 55.395 56.287 -0.159 0.000 0.814 356 K CB 1.593 34.067 32.500 -0.043 0.000 1.122 356 K HN 0.723 nan 8.250 nan 0.000 0.425 357 N N 0.818 119.523 118.700 0.009 0.000 2.182 357 N HA -0.172 4.568 4.740 0.000 0.000 0.192 357 N C 1.112 176.666 175.510 0.073 0.000 1.007 357 N CA 1.975 55.105 53.050 0.134 0.000 0.873 357 N CB 0.162 38.764 38.487 0.190 0.000 0.998 357 N HN 0.653 nan 8.380 nan 0.000 0.436 358 T N -4.205 110.371 114.554 0.037 0.000 3.134 358 T HA 0.194 4.544 4.350 0.000 0.000 0.260 358 T C 0.872 175.573 174.700 0.002 0.000 1.027 358 T CA -0.294 61.821 62.100 0.025 0.000 0.913 358 T CB -0.087 68.788 68.868 0.012 0.000 1.046 358 T HN 0.041 nan 8.240 nan 0.000 0.553 359 N N 0.416 119.121 118.700 0.008 0.000 2.230 359 N HA 0.250 4.990 4.740 0.000 0.000 0.202 359 N C -1.120 174.221 175.510 -0.283 0.000 1.119 359 N CA -0.554 52.424 53.050 -0.119 0.000 0.851 359 N CB 0.063 38.449 38.487 -0.167 0.000 0.990 359 N HN 0.349 nan 8.380 nan 0.000 0.497 360 F N 0.236 120.123 119.950 -0.105 0.000 2.574 360 F HA 0.434 4.961 4.527 0.000 0.000 0.313 360 F C -0.139 175.647 175.800 -0.024 0.000 1.130 360 F CA -1.041 56.932 58.000 -0.044 0.000 0.936 360 F CB 1.613 40.587 39.000 -0.042 0.000 1.219 360 F HN -0.342 nan 8.300 nan 0.000 0.445 361 K N 2.889 123.375 120.400 0.144 0.000 2.258 361 K HA 0.344 4.664 4.320 0.000 0.000 0.284 361 K C -0.537 176.018 176.600 -0.075 0.000 1.051 361 K CA -0.664 55.622 56.287 -0.001 0.000 0.923 361 K CB 1.050 33.527 32.500 -0.039 0.000 1.046 361 K HN 0.453 nan 8.250 nan 0.000 0.474 362 E N 2.966 123.041 120.200 -0.209 0.000 2.166 362 E HA 0.251 4.601 4.350 0.000 0.000 0.275 362 E C -0.887 175.516 176.600 -0.327 0.000 0.941 362 E CA -0.475 55.860 56.400 -0.108 0.000 0.784 362 E CB 1.132 30.828 29.700 -0.006 0.000 1.115 362 E HN 0.357 nan 8.360 nan 0.000 0.399 363 Y N 0.664 121.029 120.300 0.108 0.000 2.598 363 Y HA 0.538 5.089 4.550 0.000 0.000 0.340 363 Y C 0.102 176.050 175.900 0.080 0.000 1.038 363 Y CA -1.049 57.123 58.100 0.120 0.000 1.100 363 Y CB 1.640 40.168 38.460 0.113 0.000 1.281 363 Y HN 0.249 nan 8.280 nan 0.000 0.488 364 L N 3.111 124.485 121.223 0.251 0.000 2.406 364 L HA 0.541 4.881 4.340 0.000 0.000 0.270 364 L C -0.870 175.948 176.870 -0.086 0.000 0.982 364 L CA -0.680 54.173 54.840 0.023 0.000 0.843 364 L CB 1.233 43.222 42.059 -0.116 0.000 1.225 364 L HN 0.601 nan 8.230 nan 0.000 0.412 365 R N 1.486 121.969 120.500 -0.028 0.000 2.854 365 R HA 0.562 4.902 4.340 0.000 0.000 0.271 365 R C -1.135 175.181 176.300 0.026 0.000 0.996 365 R CA -0.761 55.325 56.100 -0.022 0.000 0.961 365 R CB 2.261 32.576 30.300 0.025 0.000 1.182 365 R HN 0.622 nan 8.270 nan 0.000 0.479 366 H N -0.550 118.466 119.070 -0.089 0.000 2.877 366 H HA 0.448 5.004 4.556 0.000 0.000 0.347 366 H C -0.592 174.717 175.328 -0.030 0.000 1.042 366 H CA -0.641 55.365 56.048 -0.071 0.000 1.276 366 H CB 1.764 31.460 29.762 -0.109 0.000 1.681 366 H HN 0.765 nan 8.280 nan 0.000 0.521 367 G N 2.361 111.192 108.800 0.051 0.000 2.528 367 G HA2 0.393 4.353 3.960 0.000 0.000 0.289 367 G HA3 0.393 4.353 3.960 0.000 0.000 0.289 367 G C -0.828 173.933 174.900 -0.231 0.000 1.192 367 G CA -0.417 44.633 45.100 -0.084 0.000 0.921 367 G HN 0.649 nan 8.290 nan 0.000 0.512 368 E N -0.051 120.091 120.200 -0.097 0.000 2.454 368 E HA 0.093 4.443 4.350 0.000 0.000 0.315 368 E C -1.392 175.233 176.600 0.042 0.000 0.907 368 E CA -0.356 56.005 56.400 -0.064 0.000 0.797 368 E CB 1.886 31.616 29.700 0.050 0.000 1.396 368 E HN 0.720 nan 8.360 nan 0.000 0.389 369 E N 3.970 124.127 120.200 -0.072 0.000 2.114 369 E HA 0.325 4.675 4.350 0.000 0.000 0.266 369 E C -1.061 175.460 176.600 -0.132 0.000 0.896 369 E CA -0.403 55.990 56.400 -0.011 0.000 0.750 369 E CB 0.739 30.431 29.700 -0.013 0.000 1.121 369 E HN 0.256 nan 8.360 nan 0.000 0.413 370 Y N 2.376 122.682 120.300 0.010 0.000 2.392 370 Y HA 0.392 4.942 4.550 0.000 0.000 0.323 370 Y C -0.036 175.806 175.900 -0.098 0.000 1.291 370 Y CA -0.328 57.728 58.100 -0.073 0.000 1.345 370 Y CB 1.436 39.830 38.460 -0.111 0.000 1.320 370 Y HN 0.600 nan 8.280 nan 0.000 0.518 371 D N 0.579 121.000 120.400 0.034 0.000 2.484 371 D HA 0.280 4.920 4.640 0.000 0.000 0.206 371 D C -1.996 174.224 176.300 -0.133 0.000 1.322 371 D CA -0.242 53.732 54.000 -0.043 0.000 0.913 371 D CB 0.610 41.388 40.800 -0.037 0.000 1.559 371 D HN 0.378 nan 8.370 nan 0.000 0.565 372 L N 3.882 125.012 121.223 -0.155 0.000 2.272 372 L HA 0.485 4.825 4.340 0.000 0.000 0.289 372 L C 0.067 176.785 176.870 -0.253 0.000 1.032 372 L CA -0.634 54.054 54.840 -0.253 0.000 0.810 372 L CB 1.349 43.361 42.059 -0.079 0.000 1.205 372 L HN 0.437 nan 8.230 nan 0.000 0.422 373 Q N 3.473 122.957 119.800 -0.527 0.000 2.306 373 Q HA 0.689 5.029 4.340 0.000 0.000 0.269 373 Q C -1.337 174.141 176.000 -0.870 0.000 1.053 373 Q CA -0.668 54.852 55.803 -0.470 0.000 0.879 373 Q CB 3.045 31.557 28.738 -0.378 0.000 1.344 373 Q HN 0.348 nan 8.270 nan 0.000 0.464 374 F N 0.014 119.600 119.950 -0.607 0.000 2.688 374 F HA 0.414 4.941 4.527 0.000 0.000 0.308 374 F C -0.856 174.480 175.800 -0.774 0.000 1.117 374 F CA -0.814 56.743 58.000 -0.737 0.000 0.976 374 F CB 1.532 40.087 39.000 -0.741 0.000 1.291 374 F HN 0.259 nan 8.300 nan 0.000 0.439 375 I N 3.487 123.674 120.570 -0.639 0.000 2.468 375 I HA 0.336 4.506 4.170 0.000 0.000 0.284 375 I C -1.309 174.481 176.117 -0.544 0.000 1.038 375 I CA -0.461 60.562 61.300 -0.461 0.000 1.083 375 I CB 1.225 38.919 38.000 -0.509 0.000 1.223 375 I HN 0.365 nan 8.210 nan 0.000 0.443 376 F N 4.024 123.970 119.950 -0.006 0.000 2.436 376 F HA 0.438 4.965 4.527 0.000 0.000 0.340 376 F C 0.680 176.796 175.800 0.526 0.000 1.113 376 F CA -0.591 57.530 58.000 0.202 0.000 1.022 376 F CB 1.384 40.433 39.000 0.083 0.000 1.128 376 F HN 0.412 nan 8.300 nan 0.000 0.466 377 Q N 3.480 123.643 119.800 0.606 0.000 2.290 377 Q HA 0.397 4.737 4.340 0.000 0.000 0.259 377 Q C -1.134 174.927 176.000 0.103 0.000 0.941 377 Q CA -1.230 54.730 55.803 0.262 0.000 0.912 377 Q CB 1.626 30.404 28.738 0.068 0.000 1.244 377 Q HN 0.702 nan 8.270 nan 0.000 0.441 378 L N 4.714 125.862 121.223 -0.124 0.000 2.418 378 L HA 0.239 4.579 4.340 0.000 0.000 0.274 378 L C -1.172 175.473 176.870 -0.375 0.000 1.135 378 L CA 0.317 54.888 54.840 -0.448 0.000 0.870 378 L CB 0.180 41.872 42.059 -0.611 0.000 1.154 378 L HN 0.764 nan 8.230 nan 0.000 0.462 379 C N 4.578 123.681 119.300 -0.328 0.000 2.531 379 C HA 0.822 5.282 4.460 0.000 0.000 0.369 379 C C -0.100 174.765 174.990 -0.208 0.000 1.258 379 C CA -0.915 57.973 59.018 -0.217 0.000 1.876 379 C CB 1.829 29.491 27.740 -0.130 0.000 2.256 379 C HN 0.914 nan 8.230 nan 0.000 0.510 380 K N 0.434 120.768 120.400 -0.109 0.000 2.508 380 K HA 0.850 5.170 4.320 0.000 0.000 0.260 380 K C -1.902 174.700 176.600 0.005 0.000 0.949 380 K CA -0.489 55.753 56.287 -0.075 0.000 0.834 380 K CB 1.494 33.966 32.500 -0.046 0.000 1.365 380 K HN 0.631 nan 8.250 nan 0.000 0.437 381 I N 1.625 122.200 120.570 0.008 0.000 2.500 381 I HA 0.142 4.312 4.170 0.000 0.000 0.286 381 I C -0.338 175.783 176.117 0.007 0.000 1.063 381 I CA -0.913 60.431 61.300 0.072 0.000 1.062 381 I CB 2.327 40.456 38.000 0.215 0.000 1.223 381 I HN 0.791 nan 8.210 nan 0.000 0.435 382 T N 4.065 118.641 114.554 0.036 0.000 2.814 382 T HA 0.400 4.750 4.350 0.000 0.000 0.297 382 T C -0.199 174.509 174.700 0.013 0.000 0.956 382 T CA -0.443 61.663 62.100 0.010 0.000 1.123 382 T CB 0.828 69.710 68.868 0.024 0.000 0.902 382 T HN 0.380 nan 8.240 nan 0.000 0.528 383 L N 5.157 126.361 121.223 -0.031 0.000 2.404 383 L HA 0.244 4.584 4.340 0.000 0.000 0.277 383 L C 1.501 178.375 176.870 0.007 0.000 1.184 383 L CA -0.214 54.615 54.840 -0.019 0.000 1.013 383 L CB -0.261 41.758 42.059 -0.066 0.000 1.318 383 L HN 1.047 nan 8.230 nan 0.000 0.435 384 T N -0.412 114.158 114.554 0.027 0.000 2.833 384 T HA 0.484 4.834 4.350 0.000 0.000 0.312 384 T C 1.331 176.045 174.700 0.022 0.000 1.085 384 T CA 0.019 62.133 62.100 0.023 0.000 0.955 384 T CB 1.038 69.922 68.868 0.027 0.000 1.353 384 T HN 0.385 nan 8.240 nan 0.000 0.544 385 A N 1.066 123.895 122.820 0.016 0.000 1.821 385 A HA -0.000 4.320 4.320 0.000 0.000 0.215 385 A C 1.983 179.578 177.584 0.018 0.000 1.214 385 A CA 1.592 53.637 52.037 0.012 0.000 0.608 385 A CB -1.393 17.611 19.000 0.007 0.000 0.862 385 A HN 0.889 nan 8.150 nan 0.000 0.448 386 D N -0.237 120.172 120.400 0.015 0.000 2.311 386 D HA -0.079 4.561 4.640 0.000 0.000 0.212 386 D C 1.824 178.128 176.300 0.008 0.000 0.972 386 D CA 1.017 55.026 54.000 0.014 0.000 0.887 386 D CB -0.476 40.323 40.800 -0.002 0.000 0.915 386 D HN 0.194 nan 8.370 nan 0.000 0.497 387 V N 0.785 120.710 119.914 0.018 0.000 2.256 387 V HA -0.174 3.946 4.120 0.000 0.000 0.240 387 V C 2.456 178.594 176.094 0.072 0.000 1.036 387 V CA 1.358 63.674 62.300 0.026 0.000 1.008 387 V CB -0.413 31.458 31.823 0.081 0.000 0.648 387 V HN 0.121 nan 8.190 nan 0.000 0.453 388 M N 0.554 120.202 119.600 0.081 0.000 2.195 388 M HA -0.215 4.265 4.480 0.000 0.000 0.260 388 M C 2.183 178.553 176.300 0.115 0.000 1.066 388 M CA 2.519 57.884 55.300 0.108 0.000 1.089 388 M CB -0.365 32.276 32.600 0.069 0.000 1.377 388 M HN 0.684 nan 8.290 nan 0.000 0.411 389 T N -2.218 112.386 114.554 0.084 0.000 2.770 389 T HA -0.199 4.151 4.350 0.000 0.000 0.263 389 T C 1.640 176.423 174.700 0.138 0.000 1.039 389 T CA 1.323 63.468 62.100 0.074 0.000 1.142 389 T CB -1.067 67.829 68.868 0.048 0.000 0.868 389 T HN 0.529 nan 8.240 nan 0.000 0.435 390 Y N 2.373 122.649 120.300 -0.039 0.000 2.070 390 Y HA -0.018 4.532 4.550 0.000 0.000 0.280 390 Y C 2.205 178.042 175.900 -0.105 0.000 1.148 390 Y CA 1.293 59.340 58.100 -0.089 0.000 1.125 390 Y CB -0.537 37.771 38.460 -0.254 0.000 0.975 390 Y HN 0.168 nan 8.280 nan 0.000 0.492 391 I N -0.368 120.247 120.570 0.076 0.000 2.657 391 I HA -0.335 3.835 4.170 0.000 0.000 0.261 391 I C 2.274 178.328 176.117 -0.105 0.000 1.212 391 I CA 1.582 62.845 61.300 -0.062 0.000 1.453 391 I CB -0.534 37.552 38.000 0.143 0.000 1.092 391 I HN 0.440 nan 8.210 nan 0.000 0.452 392 H N 0.218 119.229 119.070 -0.098 0.000 2.476 392 H HA 0.116 4.672 4.556 0.000 0.000 0.292 392 H C 2.092 177.327 175.328 -0.155 0.000 1.019 392 H CA 0.867 56.852 56.048 -0.105 0.000 1.330 392 H CB 0.506 30.247 29.762 -0.036 0.000 1.451 392 H HN 0.116 nan 8.280 nan 0.000 0.535 393 S N 0.583 116.297 115.700 0.022 0.000 2.561 393 S HA 0.009 4.479 4.470 0.000 0.000 0.225 393 S C 1.914 176.364 174.600 -0.250 0.000 0.977 393 S CA 0.456 58.630 58.200 -0.043 0.000 0.926 393 S CB 0.186 63.390 63.200 0.007 0.000 0.769 393 S HN 0.461 nan 8.310 nan 0.000 0.533 394 M N 0.952 120.282 119.600 -0.450 0.000 2.697 394 M HA 0.216 4.696 4.480 0.000 0.000 0.221 394 M C -0.043 175.819 176.300 -0.731 0.000 1.309 394 M CA 0.925 55.699 55.300 -0.876 0.000 1.296 394 M CB 0.292 32.351 32.600 -0.901 0.000 1.101 394 M HN 0.079 nan 8.290 nan 0.000 0.516 395 N N 0.564 118.891 118.700 -0.622 0.000 2.504 395 N HA 0.153 4.893 4.740 0.000 0.000 0.280 395 N C 0.420 175.654 175.510 -0.459 0.000 1.052 395 N CA -0.004 52.736 53.050 -0.516 0.000 0.887 395 N CB 1.402 39.568 38.487 -0.535 0.000 1.323 395 N HN 0.370 nan 8.380 nan 0.000 0.509 396 S N 1.773 117.214 115.700 -0.432 0.000 2.348 396 S HA -0.221 4.249 4.470 0.000 0.000 0.221 396 S C 2.126 176.545 174.600 -0.302 0.000 1.033 396 S CA 2.043 59.955 58.200 -0.480 0.000 1.010 396 S CB -0.981 61.924 63.200 -0.492 0.000 0.891 396 S HN 0.762 nan 8.310 nan 0.000 0.442 397 T N 2.522 116.924 114.554 -0.253 0.000 2.624 397 T HA -0.237 4.113 4.350 0.000 0.000 0.266 397 T C 1.807 176.358 174.700 -0.248 0.000 1.050 397 T CA 1.691 63.674 62.100 -0.196 0.000 1.163 397 T CB -1.188 67.579 68.868 -0.169 0.000 0.861 397 T HN 0.310 nan 8.240 nan 0.000 0.443 398 I N 2.380 122.713 120.570 -0.395 0.000 2.203 398 I HA -0.266 3.904 4.170 0.000 0.000 0.237 398 I C 2.690 178.382 176.117 -0.709 0.000 0.993 398 I CA 1.751 62.645 61.300 -0.678 0.000 1.277 398 I CB -1.715 35.783 38.000 -0.837 0.000 0.984 398 I HN 0.373 nan 8.210 nan 0.000 0.402 399 L N 0.054 121.169 121.223 -0.180 0.000 1.976 399 L HA -0.214 4.126 4.340 0.000 0.000 0.209 399 L C 2.570 179.577 176.870 0.228 0.000 1.071 399 L CA 1.566 56.618 54.840 0.352 0.000 0.746 399 L CB -0.908 41.325 42.059 0.291 0.000 0.890 399 L HN 0.282 nan 8.230 nan 0.000 0.432 400 E N 0.554 120.801 120.200 0.078 0.000 2.055 400 E HA -0.294 4.056 4.350 0.000 0.000 0.209 400 E C 1.842 178.488 176.600 0.077 0.000 1.036 400 E CA 1.943 58.380 56.400 0.062 0.000 0.849 400 E CB -0.450 29.252 29.700 0.003 0.000 0.767 400 E HN 0.549 nan 8.360 nan 0.000 0.461 401 D N -0.040 120.368 120.400 0.014 0.000 2.149 401 D HA -0.153 4.487 4.640 0.000 0.000 0.198 401 D C 0.425 176.810 176.300 0.142 0.000 0.990 401 D CA 0.577 54.591 54.000 0.023 0.000 0.839 401 D CB -0.257 40.501 40.800 -0.069 0.000 0.948 401 D HN 0.161 nan 8.370 nan 0.000 0.460 402 W N 2.505 123.837 121.300 0.053 0.000 2.443 402 W HA 0.057 4.717 4.660 0.000 0.000 0.335 402 W C 1.004 177.557 176.519 0.057 0.000 1.382 402 W CA 0.206 57.590 57.345 0.065 0.000 1.305 402 W CB -0.671 28.833 29.460 0.073 0.000 1.283 402 W HN -0.019 nan 8.180 nan 0.000 0.567 439 D N 2.607 123.028 120.400 0.035 0.000 2.352 439 D HA 0.210 4.850 4.640 0.000 0.000 0.245 439 D C -1.452 174.907 176.300 0.099 0.000 1.224 439 D CA -2.096 51.942 54.000 0.065 0.000 0.879 439 D CB 1.285 42.133 40.800 0.081 0.000 1.057 439 D HN 0.126 nan 8.370 nan 0.000 0.491 440 P HA -0.122 nan 4.420 nan 0.000 0.223 440 P C 0.586 178.051 177.300 0.274 0.000 1.144 440 P CA 0.857 64.041 63.100 0.140 0.000 0.783 440 P CB 0.106 31.861 31.700 0.092 0.000 0.771 441 L N -1.175 120.233 121.223 0.309 0.000 3.036 441 L HA 0.324 4.664 4.340 0.000 0.000 0.237 441 L C 1.890 178.990 176.870 0.383 0.000 1.319 441 L CA -0.222 54.930 54.840 0.519 0.000 1.112 441 L CB -0.180 42.209 42.059 0.551 0.000 1.480 441 L HN -0.156 nan 8.230 nan 0.000 0.506 442 K N 1.324 121.850 120.400 0.209 0.000 2.190 442 K HA 0.034 4.354 4.320 0.000 0.000 0.202 442 K C 1.781 178.378 176.600 -0.005 0.000 1.045 442 K CA 0.697 57.038 56.287 0.089 0.000 0.976 442 K CB 0.380 32.901 32.500 0.036 0.000 0.849 442 K HN 0.016 nan 8.250 nan 0.000 0.468 443 K N 0.499 120.822 120.400 -0.130 0.000 2.589 443 K HA -0.015 4.305 4.320 0.000 0.000 0.192 443 K C -0.348 175.856 176.600 -0.659 0.000 1.029 443 K CA 0.443 56.491 56.287 -0.398 0.000 1.031 443 K CB -0.502 31.691 32.500 -0.512 0.000 0.821 443 K HN 0.197 nan 8.250 nan 0.000 0.502 444 Y N -0.013 120.221 120.300 -0.110 0.000 2.630 444 Y HA 0.401 4.951 4.550 0.000 0.000 0.337 444 Y C 0.191 175.648 175.900 -0.739 0.000 1.051 444 Y CA -1.133 56.729 58.100 -0.397 0.000 1.121 444 Y CB 1.873 40.202 38.460 -0.218 0.000 1.299 444 Y HN -0.262 nan 8.280 nan 0.000 0.498 445 T N 2.255 116.182 114.554 -1.044 0.000 2.890 445 T HA 0.609 4.959 4.350 0.000 0.000 0.295 445 T C -1.291 172.693 174.700 -1.193 0.000 0.993 445 T CA -0.698 60.865 62.100 -0.895 0.000 0.979 445 T CB 0.081 68.701 68.868 -0.414 0.000 0.967 445 T HN 0.314 nan 8.240 nan 0.000 0.441 446 F N 0.150 120.129 119.950 0.048 0.000 2.598 446 F HA 0.571 5.098 4.527 0.000 0.000 0.327 446 F C -0.045 175.807 175.800 0.086 0.000 1.057 446 F CA -1.607 56.412 58.000 0.032 0.000 0.957 446 F CB 0.920 39.935 39.000 0.025 0.000 1.278 446 F HN 0.468 nan 8.300 nan 0.000 0.484 447 W N 3.656 124.965 121.300 0.016 0.000 2.505 447 W HA 0.075 4.735 4.660 0.000 0.000 0.332 447 W C -0.448 176.118 176.519 0.078 0.000 1.434 447 W CA -0.153 57.130 57.345 -0.104 0.000 1.320 447 W CB 0.058 29.220 29.460 -0.497 0.000 1.363 447 W HN 0.464 nan 8.180 nan 0.000 0.565 448 E N 5.127 125.615 120.200 0.481 0.000 2.152 448 E HA 0.204 4.554 4.350 0.000 0.000 0.285 448 E C -0.493 176.392 176.600 0.476 0.000 1.043 448 E CA -0.389 56.283 56.400 0.453 0.000 0.839 448 E CB 1.514 31.425 29.700 0.352 0.000 1.069 448 E HN 0.135 nan 8.360 nan 0.000 0.399 449 V N 3.686 123.816 119.914 0.360 0.000 2.459 449 V HA 0.294 4.414 4.120 0.000 0.000 0.295 449 V C 0.359 176.590 176.094 0.229 0.000 1.029 449 V CA -0.993 61.458 62.300 0.251 0.000 0.874 449 V CB 1.651 33.543 31.823 0.115 0.000 0.985 449 V HN 0.518 nan 8.190 nan 0.000 0.438 450 N N 4.306 123.116 118.700 0.184 0.000 2.479 450 N HA 0.428 5.168 4.740 0.000 0.000 0.261 450 N C -0.231 175.321 175.510 0.070 0.000 0.979 450 N CA -0.390 52.748 53.050 0.147 0.000 0.930 450 N CB 1.936 40.493 38.487 0.117 0.000 1.172 450 N HN 0.720 nan 8.380 nan 0.000 0.499 451 L N 3.365 124.605 121.223 0.029 0.000 2.766 451 L HA 0.171 4.511 4.340 0.000 0.000 0.242 451 L C 1.888 178.795 176.870 0.062 0.000 1.136 451 L CA -0.015 54.831 54.840 0.010 0.000 0.933 451 L CB 0.307 42.303 42.059 -0.104 0.000 1.241 451 L HN 0.465 nan 8.230 nan 0.000 0.522 452 K N 0.742 121.121 120.400 -0.035 0.000 2.015 452 K HA -0.223 4.097 4.320 0.000 0.000 0.216 452 K C 0.692 177.266 176.600 -0.043 0.000 1.052 452 K CA 1.570 57.768 56.287 -0.149 0.000 0.937 452 K CB -0.124 32.300 32.500 -0.127 0.000 0.719 452 K HN 0.077 nan 8.250 nan 0.000 0.446 453 E N 0.550 120.768 120.200 0.031 0.000 2.330 453 E HA 0.008 4.358 4.350 0.000 0.000 0.210 453 E C 0.403 177.077 176.600 0.122 0.000 1.256 453 E CA 0.364 56.813 56.400 0.083 0.000 1.346 453 E CB 0.331 30.077 29.700 0.077 0.000 1.308 453 E HN 0.134 nan 8.360 nan 0.000 0.441 454 K N -0.860 119.632 120.400 0.153 0.000 2.511 454 K HA 0.168 4.488 4.320 0.000 0.000 0.206 454 K C 0.079 176.796 176.600 0.194 0.000 1.333 454 K CA -0.143 56.229 56.287 0.143 0.000 0.957 454 K CB 0.186 32.718 32.500 0.052 0.000 1.172 454 K HN 0.083 nan 8.250 nan 0.000 0.547 455 F N 2.054 121.960 119.950 -0.075 0.000 2.602 455 F HA 0.041 4.568 4.527 0.000 0.000 0.367 455 F C 0.965 176.948 175.800 0.304 0.000 1.126 455 F CA 0.630 58.614 58.000 -0.028 0.000 1.321 455 F CB 0.481 39.214 39.000 -0.444 0.000 1.094 455 F HN -0.249 nan 8.300 nan 0.000 0.594 456 S N 1.572 117.649 115.700 0.630 0.000 2.575 456 S HA 0.671 5.141 4.470 0.000 0.000 0.278 456 S C 0.346 175.157 174.600 0.353 0.000 1.139 456 S CA -0.165 58.385 58.200 0.583 0.000 0.954 456 S CB 1.401 64.955 63.200 0.590 0.000 1.054 456 S HN 0.767 nan 8.310 nan 0.000 0.483 457 A N 2.805 125.639 122.820 0.023 0.000 1.840 457 A HA 0.080 4.400 4.320 0.000 0.000 0.214 457 A C 0.598 178.135 177.584 -0.078 0.000 1.198 457 A CA 1.289 53.002 52.037 -0.542 0.000 0.608 457 A CB -0.875 17.928 19.000 -0.329 0.000 0.839 457 A HN 0.903 nan 8.150 nan 0.000 0.443 458 D N 1.133 121.550 120.400 0.028 0.000 2.359 458 D HA 0.138 4.778 4.640 0.000 0.000 0.273 458 D C 0.460 176.789 176.300 0.047 0.000 1.362 458 D CA 0.018 54.037 54.000 0.031 0.000 1.010 458 D CB -0.188 40.607 40.800 -0.010 0.000 1.090 458 D HN 0.411 nan 8.370 nan 0.000 0.521 459 L N 0.913 122.207 121.223 0.117 0.000 2.610 459 L HA -0.008 4.332 4.340 0.000 0.000 0.232 459 L C 0.913 177.800 176.870 0.028 0.000 1.149 459 L CA 0.423 55.372 54.840 0.183 0.000 0.872 459 L CB -0.351 41.860 42.059 0.253 0.000 0.992 459 L HN 0.163 nan 8.230 nan 0.000 0.447 460 D N -0.382 119.991 120.400 -0.046 0.000 2.312 460 D HA -0.117 4.523 4.640 0.000 0.000 0.211 460 D C 1.627 177.830 176.300 -0.162 0.000 0.964 460 D CA 0.648 54.602 54.000 -0.077 0.000 0.877 460 D CB 0.109 40.869 40.800 -0.066 0.000 0.924 460 D HN 0.234 nan 8.370 nan 0.000 0.515 461 Q N -0.344 119.259 119.800 -0.328 0.000 2.204 461 Q HA 0.241 4.581 4.340 0.000 0.000 0.209 461 Q C -0.688 174.758 176.000 -0.923 0.000 0.861 461 Q CA 0.042 55.500 55.803 -0.575 0.000 0.971 461 Q CB 0.275 28.626 28.738 -0.645 0.000 1.095 461 Q HN 0.300 nan 8.270 nan 0.000 0.486 462 F N 0.284 120.134 119.950 -0.168 0.000 2.613 462 F HA 0.328 4.855 4.527 0.000 0.000 0.310 462 F C -1.614 174.138 175.800 -0.081 0.000 1.085 462 F CA -2.094 55.770 58.000 -0.226 0.000 0.945 462 F CB 1.980 40.559 39.000 -0.703 0.000 1.298 462 F HN -0.261 nan 8.300 nan 0.000 0.455 463 P HA -0.126 nan 4.420 nan 0.000 0.215 463 P C 1.714 179.094 177.300 0.132 0.000 1.157 463 P CA 1.271 64.437 63.100 0.109 0.000 0.859 463 P CB 0.896 32.645 31.700 0.082 0.000 0.786 464 L N -0.134 121.194 121.223 0.175 0.000 1.976 464 L HA -0.084 4.256 4.340 0.000 0.000 0.209 464 L C 2.602 179.650 176.870 0.298 0.000 1.071 464 L CA 2.505 57.441 54.840 0.160 0.000 0.746 464 L CB -1.585 40.502 42.059 0.047 0.000 0.890 464 L HN 0.024 nan 8.230 nan 0.000 0.432 465 G N -0.264 108.765 108.800 0.381 0.000 2.628 465 G HA2 -0.355 3.605 3.960 0.000 0.000 0.217 465 G HA3 -0.355 3.605 3.960 0.000 0.000 0.217 465 G C 1.517 176.553 174.900 0.227 0.000 1.240 465 G CA 1.057 46.370 45.100 0.355 0.000 0.792 465 G HN 0.370 nan 8.290 nan 0.000 0.593 466 R N 0.317 120.899 120.500 0.137 0.000 2.228 466 R HA -0.216 4.124 4.340 0.000 0.000 0.264 466 R C 2.624 178.961 176.300 0.063 0.000 1.179 466 R CA 2.049 58.187 56.100 0.063 0.000 0.998 466 R CB -0.228 30.097 30.300 0.042 0.000 0.885 466 R HN 0.419 nan 8.270 nan 0.000 0.466 467 K N -0.925 119.564 120.400 0.149 0.000 2.044 467 K HA -0.061 4.259 4.320 0.000 0.000 0.204 467 K C 1.896 178.602 176.600 0.177 0.000 1.045 467 K CA 0.902 57.300 56.287 0.185 0.000 0.951 467 K CB -0.306 32.360 32.500 0.278 0.000 0.738 467 K HN 0.045 nan 8.250 nan 0.000 0.443 468 F N 2.562 122.597 119.950 0.142 0.000 2.095 468 F HA -0.209 4.318 4.527 0.000 0.000 0.298 468 F C 1.950 177.559 175.800 -0.318 0.000 1.104 468 F CA 1.021 58.885 58.000 -0.226 0.000 1.232 468 F CB -0.504 38.448 39.000 -0.079 0.000 0.987 468 F HN -0.128 nan 8.300 nan 0.000 0.475 469 L N 0.317 121.269 121.223 -0.452 0.000 2.013 469 L HA -0.205 4.135 4.340 0.000 0.000 0.212 469 L C 2.165 178.782 176.870 -0.421 0.000 1.073 469 L CA 1.722 56.262 54.840 -0.500 0.000 0.753 469 L CB -0.833 41.106 42.059 -0.200 0.000 0.890 469 L HN 0.302 nan 8.230 nan 0.000 0.432 470 L N -1.122 119.942 121.223 -0.265 0.000 2.645 470 L HA -0.041 4.299 4.340 0.000 0.000 0.235 470 L C 1.724 178.444 176.870 -0.251 0.000 1.150 470 L CA 0.134 54.850 54.840 -0.205 0.000 0.911 470 L CB -0.153 41.844 42.059 -0.104 0.000 1.077 470 L HN 0.469 nan 8.230 nan 0.000 0.438 471 Q N -0.400 119.145 119.800 -0.426 0.000 2.418 471 Q HA 0.183 4.523 4.340 0.000 0.000 0.176 471 Q C 0.753 176.445 176.000 -0.513 0.000 0.747 471 Q CA -0.131 55.390 55.803 -0.471 0.000 0.776 471 Q CB 0.246 28.588 28.738 -0.660 0.000 1.118 471 Q HN 0.197 nan 8.270 nan 0.000 0.570 472 L N 0.000 120.792 121.223 -0.719 0.000 2.949 472 L HA 0.000 4.340 4.340 0.000 0.000 0.249 472 L CA 0.000 54.541 54.840 -0.499 0.000 0.813 472 L CB 0.000 41.756 42.059 -0.505 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502