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 2oqe_1_B DATA FIRST_RESID 16 DATA SEQUENCE AAPARPAHPL DPLSTAEIKA ATNTVKSYFA GKKISFNTVT LREPARKAYI DATA SEQUENCE QWKEQGGPLP PRLAYYVILE AGKPGVKEGL VDLASLSVIE TRALETVQPI DATA SEQUENCE LTVEDLCSTE EVIRNDPAVI EQCVLSGIPA NEMHKVYCDP WTIGYDERWG DATA SEQUENCE TGKRLQQALV YYRSDEDDSQ YSHPLDFCPI VDTEEKKVIF IDIPNRRRKV DATA SEQUENCE SKHKHANFYP KHMIEKVGAM RPEAPPINVT QPEGVSFKMT GNVMEWSNFK DATA SEQUENCE FHIGFNYREG IVLSDVSYND HGNVRPIFHR ISLSEMIVPY GSPEFPHQRK DATA SEQUENCE HALDIGEYGA GYMTNPLSLG CDCKGVIHYL DAHFSDRAGD PITVKNAVCI DATA SEQUENCE HEEDDGLLFK HSDFRDNFAT SLVTRATKLV VSQIFTAANX EYCLYWVFMQ DATA SEQUENCE DGAIRLDIRL TGILNTYILG DDEEAGPWGT RVYPNVNAHN HQHLFSLRID DATA SEQUENCE PRIDGDGNSA AACDAKSSPY PLGSPENMYG NAFYSEKTTF KTVKDSLTNY DATA SEQUENCE ESATGRSWDI FNPNKVNPYS GKPPSYKLVS TQCPPLLAKE GSLVAKRAPW DATA SEQUENCE ASHSVNVVPY KDNRLYPSGD HVPQWSGDGV RGMREWIGDG SENIDNTDIL DATA SEQUENCE FFHTFGITHF PAPEDFPLXP AEPITLMLRP RHFFTENPGL DIQPSYAMTT DATA SEQUENCE SEAKRAV 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 16 A HA 0.000 nan 4.320 nan 0.000 0.244 16 A C 0.000 177.586 177.584 0.003 0.000 1.274 16 A CA 0.000 52.039 52.037 0.003 0.000 0.836 16 A CB 0.000 19.003 19.000 0.005 0.000 0.831 17 A N 1.841 124.664 122.820 0.005 0.000 2.386 17 A HA 0.601 4.924 4.320 0.006 0.000 0.248 17 A C -1.912 175.674 177.584 0.003 0.000 1.082 17 A CA -0.538 51.502 52.037 0.005 0.000 0.789 17 A CB -0.756 18.249 19.000 0.007 0.000 1.025 17 A HN 0.445 nan 8.150 nan 0.000 0.490 18 P HA 0.376 nan 4.420 nan 0.000 0.272 18 P C -0.191 177.111 177.300 0.004 0.000 1.230 18 P CA -0.095 63.005 63.100 0.000 0.000 0.788 18 P CB 0.595 32.294 31.700 -0.001 0.000 0.949 19 A N 3.022 125.844 122.820 0.004 0.000 2.511 19 A HA 0.080 4.403 4.320 0.006 0.000 0.242 19 A C 0.705 178.296 177.584 0.012 0.000 1.069 19 A CA -0.135 51.907 52.037 0.009 0.000 0.763 19 A CB -0.280 18.726 19.000 0.010 0.000 1.001 19 A HN 0.460 nan 8.150 nan 0.000 0.498 20 R N 2.121 122.629 120.500 0.014 0.000 2.590 20 R HA 0.211 4.554 4.340 0.006 0.000 0.274 20 R C -1.888 174.427 176.300 0.026 0.000 1.061 20 R CA -0.918 55.190 56.100 0.013 0.000 1.081 20 R CB 0.176 30.481 30.300 0.008 0.000 0.984 20 R HN 0.654 nan 8.270 nan 0.000 0.448 21 P HA 0.043 nan 4.420 nan 0.000 0.272 21 P C -0.118 177.229 177.300 0.079 0.000 1.240 21 P CA -0.124 63.012 63.100 0.059 0.000 0.791 21 P CB 0.690 32.431 31.700 0.068 0.000 0.978 22 A N 0.502 123.392 122.820 0.118 0.000 2.076 22 A HA -0.134 4.189 4.320 0.006 0.000 0.220 22 A C 1.031 178.749 177.584 0.224 0.000 1.160 22 A CA 1.443 53.573 52.037 0.155 0.000 0.653 22 A CB -0.783 18.314 19.000 0.162 0.000 0.801 22 A HN 0.748 nan 8.150 nan 0.000 0.455 23 H N -2.723 116.396 119.070 0.082 0.000 3.087 23 H HA 0.267 4.826 4.556 0.006 0.000 0.348 23 H C -2.831 172.452 175.328 -0.075 0.000 1.092 23 H CA -1.252 54.838 56.048 0.071 0.000 1.285 23 H CB 1.729 31.603 29.762 0.187 0.000 1.875 23 H HN -0.103 nan 8.280 nan 0.000 0.512 24 P HA -0.035 nan 4.420 nan 0.000 0.221 24 P C 1.276 178.564 177.300 -0.021 0.000 1.145 24 P CA 0.972 63.948 63.100 -0.207 0.000 0.795 24 P CB 0.337 31.746 31.700 -0.485 0.000 0.775 25 L N -1.946 119.340 121.223 0.105 0.000 2.607 25 L HA 0.133 4.477 4.340 0.006 0.000 0.228 25 L C 0.261 177.059 176.870 -0.120 0.000 1.123 25 L CA -0.155 54.543 54.840 -0.238 0.000 0.890 25 L CB -0.483 41.138 42.059 -0.730 0.000 1.103 25 L HN -0.125 nan 8.230 nan 0.000 0.468 26 D N 1.822 122.284 120.400 0.102 0.000 2.455 26 D HA 0.119 4.762 4.640 0.006 0.000 0.241 26 D C -2.018 174.379 176.300 0.162 0.000 1.138 26 D CA -1.062 53.078 54.000 0.234 0.000 0.877 26 D CB 0.648 41.575 40.800 0.212 0.000 1.187 26 D HN -0.054 nan 8.370 nan 0.000 0.451 27 P HA 0.052 nan 4.420 nan 0.000 0.271 27 P C 0.039 177.430 177.300 0.153 0.000 1.233 27 P CA -0.371 62.836 63.100 0.178 0.000 0.789 27 P CB 0.504 32.334 31.700 0.217 0.000 0.951 28 L N 0.566 121.879 121.223 0.149 0.000 2.540 28 L HA 0.024 4.367 4.340 0.006 0.000 0.276 28 L C 1.339 178.269 176.870 0.100 0.000 1.212 28 L CA 0.146 55.054 54.840 0.114 0.000 0.893 28 L CB -0.345 41.783 42.059 0.116 0.000 1.138 28 L HN 0.503 nan 8.230 nan 0.000 0.491 29 S N 0.331 116.052 115.700 0.035 0.000 2.624 29 S HA 0.102 4.576 4.470 0.006 0.000 0.263 29 S C 1.353 175.881 174.600 -0.119 0.000 1.287 29 S CA -0.191 57.971 58.200 -0.065 0.000 0.990 29 S CB 1.305 64.468 63.200 -0.061 0.000 0.950 29 S HN 0.780 nan 8.310 nan 0.000 0.561 30 T N -1.056 113.330 114.554 -0.281 0.000 2.759 30 T HA -0.138 4.216 4.350 0.006 0.000 0.269 30 T C 1.967 176.606 174.700 -0.101 0.000 1.042 30 T CA 1.269 63.254 62.100 -0.192 0.000 1.140 30 T CB -1.155 67.567 68.868 -0.243 0.000 0.864 30 T HN 0.921 nan 8.240 nan 0.000 0.455 31 A N 1.787 124.552 122.820 -0.092 0.000 1.933 31 A HA -0.070 4.253 4.320 0.006 0.000 0.218 31 A C 2.323 179.885 177.584 -0.038 0.000 1.175 31 A CA 1.583 53.586 52.037 -0.056 0.000 0.628 31 A CB -0.646 18.327 19.000 -0.045 0.000 0.814 31 A HN 0.673 nan 8.150 nan 0.000 0.444 32 E N -0.440 119.744 120.200 -0.027 0.000 2.106 32 E HA -0.101 4.253 4.350 0.006 0.000 0.192 32 E C 1.841 178.438 176.600 -0.004 0.000 0.984 32 E CA 0.962 57.359 56.400 -0.004 0.000 0.806 32 E CB -0.240 29.470 29.700 0.017 0.000 0.750 32 E HN 0.694 nan 8.360 nan 0.000 0.458 33 I N 1.111 121.676 120.570 -0.008 0.000 2.179 33 I HA -0.285 3.888 4.170 0.006 0.000 0.242 33 I C 2.453 178.525 176.117 -0.075 0.000 1.088 33 I CA 1.064 62.354 61.300 -0.017 0.000 1.357 33 I CB -0.102 37.903 38.000 0.008 0.000 1.051 33 I HN -0.029 nan 8.210 nan 0.000 0.409 34 K N 1.428 121.784 120.400 -0.074 0.000 2.097 34 K HA -0.101 4.223 4.320 0.006 0.000 0.206 34 K C 2.022 178.574 176.600 -0.079 0.000 1.049 34 K CA 1.645 57.876 56.287 -0.093 0.000 0.933 34 K CB -0.414 32.045 32.500 -0.069 0.000 0.717 34 K HN 0.286 nan 8.250 nan 0.000 0.442 35 A N 0.432 123.223 122.820 -0.048 0.000 1.933 35 A HA -0.069 4.255 4.320 0.006 0.000 0.218 35 A C 2.352 179.919 177.584 -0.029 0.000 1.175 35 A CA 2.035 54.054 52.037 -0.030 0.000 0.628 35 A CB -1.003 17.989 19.000 -0.013 0.000 0.814 35 A HN 0.414 nan 8.150 nan 0.000 0.444 36 A N -0.274 122.526 122.820 -0.032 0.000 1.873 36 A HA -0.092 4.232 4.320 0.006 0.000 0.215 36 A C 2.485 180.028 177.584 -0.068 0.000 1.186 36 A CA 2.566 54.593 52.037 -0.018 0.000 0.616 36 A CB -1.405 17.607 19.000 0.020 0.000 0.823 36 A HN 0.778 nan 8.150 nan 0.000 0.442 37 T N -1.990 112.447 114.554 -0.196 0.000 2.821 37 T HA -0.141 4.212 4.350 0.006 0.000 0.267 37 T C 1.680 176.317 174.700 -0.106 0.000 1.046 37 T CA 1.414 63.279 62.100 -0.392 0.000 1.139 37 T CB -0.578 67.707 68.868 -0.973 0.000 0.871 37 T HN 0.352 nan 8.240 nan 0.000 0.454 38 N N 1.397 120.050 118.700 -0.077 0.000 2.104 38 N HA -0.074 4.669 4.740 0.006 0.000 0.190 38 N C 2.074 177.603 175.510 0.032 0.000 1.024 38 N CA 1.853 54.899 53.050 -0.006 0.000 0.853 38 N CB -1.019 37.459 38.487 -0.015 0.000 1.008 38 N HN 0.512 nan 8.380 nan 0.000 0.424 39 T N 0.806 115.370 114.554 0.016 0.000 2.708 39 T HA -0.051 4.302 4.350 0.006 0.000 0.266 39 T C 2.139 176.865 174.700 0.044 0.000 1.037 39 T CA 0.949 63.064 62.100 0.025 0.000 1.146 39 T CB -0.306 68.567 68.868 0.007 0.000 0.865 39 T HN -0.015 nan 8.240 nan 0.000 0.435 40 V N 1.296 121.234 119.914 0.040 0.000 2.358 40 V HA -0.136 3.987 4.120 0.006 0.000 0.246 40 V C 2.440 178.692 176.094 0.262 0.000 1.047 40 V CA 1.495 63.830 62.300 0.059 0.000 1.035 40 V CB -0.470 31.306 31.823 -0.079 0.000 0.658 40 V HN 0.447 nan 8.190 nan 0.000 0.452 41 K N -0.089 120.479 120.400 0.280 0.000 2.103 41 K HA -0.182 4.141 4.320 0.006 0.000 0.207 41 K C 2.520 179.219 176.600 0.166 0.000 1.048 41 K CA 1.680 58.114 56.287 0.246 0.000 0.930 41 K CB -0.337 32.290 32.500 0.211 0.000 0.716 41 K HN 0.397 nan 8.250 nan 0.000 0.444 42 S N 0.098 115.867 115.700 0.115 0.000 2.355 42 S HA -0.177 4.296 4.470 0.006 0.000 0.222 42 S C 1.875 176.491 174.600 0.027 0.000 1.031 42 S CA 0.887 59.124 58.200 0.062 0.000 0.993 42 S CB -0.328 62.900 63.200 0.047 0.000 0.859 42 S HN 0.385 nan 8.310 nan 0.000 0.453 43 Y N 0.736 120.961 120.300 -0.125 0.000 2.207 43 Y HA -0.034 4.520 4.550 0.006 0.000 0.287 43 Y C 0.837 176.470 175.900 -0.445 0.000 1.156 43 Y CA 1.633 59.538 58.100 -0.325 0.000 1.182 43 Y CB -0.187 37.986 38.460 -0.478 0.000 0.979 43 Y HN 0.333 nan 8.280 nan 0.000 0.521 44 F N 0.571 120.572 119.950 0.084 0.000 2.819 44 F HA 0.431 4.961 4.527 0.006 0.000 0.294 44 F C 0.939 176.727 175.800 -0.021 0.000 1.166 44 F CA -0.361 57.643 58.000 0.008 0.000 1.374 44 F CB -0.862 38.158 39.000 0.034 0.000 0.956 44 F HN -0.013 nan 8.300 nan 0.000 0.509 45 A N 0.135 122.992 122.820 0.061 0.000 2.540 45 A HA 0.397 4.720 4.320 0.006 0.000 0.239 45 A C 1.591 179.196 177.584 0.036 0.000 1.061 45 A CA 0.931 52.994 52.037 0.044 0.000 0.758 45 A CB -0.516 18.486 19.000 0.003 0.000 0.991 45 A HN 1.073 nan 8.150 nan 0.000 0.502 46 G N 1.539 110.362 108.800 0.039 0.000 2.217 46 G HA2 -0.226 3.738 3.960 0.006 0.000 0.246 46 G HA3 -0.226 3.738 3.960 0.006 0.000 0.246 46 G C 0.252 175.173 174.900 0.034 0.000 0.990 46 G CA 0.717 45.833 45.100 0.027 0.000 0.627 46 G HN 0.866 nan 8.290 nan 0.000 0.522 47 K N 0.714 121.148 120.400 0.057 0.000 2.138 47 K HA 0.504 4.828 4.320 0.006 0.000 0.263 47 K C -0.125 176.482 176.600 0.012 0.000 0.965 47 K CA -0.802 55.509 56.287 0.039 0.000 0.868 47 K CB 1.020 33.562 32.500 0.071 0.000 1.083 47 K HN -0.094 nan 8.250 nan 0.000 0.443 48 K N 4.168 124.559 120.400 -0.016 0.000 2.250 48 K HA 0.241 4.565 4.320 0.006 0.000 0.285 48 K C 0.026 176.580 176.600 -0.077 0.000 1.097 48 K CA -0.107 56.163 56.287 -0.029 0.000 0.913 48 K CB -0.243 32.244 32.500 -0.021 0.000 1.179 48 K HN 0.612 nan 8.250 nan 0.000 0.462 49 I N -1.018 119.493 120.570 -0.100 0.000 2.740 49 I HA 0.551 4.725 4.170 0.006 0.000 0.303 49 I C -0.212 175.788 176.117 -0.195 0.000 1.044 49 I CA -0.755 60.418 61.300 -0.212 0.000 1.064 49 I CB 2.387 40.172 38.000 -0.357 0.000 1.249 49 I HN 0.343 nan 8.210 nan 0.000 0.433 50 S N 3.003 118.549 115.700 -0.257 0.000 2.570 50 S HA 0.689 5.163 4.470 0.006 0.000 0.286 50 S C -1.049 173.377 174.600 -0.290 0.000 1.099 50 S CA -0.658 57.452 58.200 -0.149 0.000 0.913 50 S CB 1.407 64.575 63.200 -0.053 0.000 1.085 50 S HN 0.510 nan 8.310 nan 0.000 0.480 51 F N 2.524 122.457 119.950 -0.028 0.000 2.410 51 F HA 0.470 5.000 4.527 0.006 0.000 0.349 51 F C 1.750 177.540 175.800 -0.017 0.000 1.117 51 F CA -0.600 57.389 58.000 -0.018 0.000 1.104 51 F CB 1.306 40.304 39.000 -0.003 0.000 1.122 51 F HN 0.841 nan 8.300 nan 0.000 0.483 52 N N 1.044 119.806 118.700 0.105 0.000 2.436 52 N HA 0.015 4.758 4.740 0.006 0.000 0.178 52 N C -0.347 175.229 175.510 0.110 0.000 1.026 52 N CA 0.746 53.839 53.050 0.072 0.000 0.880 52 N CB 0.583 39.087 38.487 0.028 0.000 1.061 52 N HN 0.545 nan 8.380 nan 0.000 0.434 53 T N 0.723 115.322 114.554 0.075 0.000 3.032 53 T HA 0.467 4.820 4.350 0.006 0.000 0.312 53 T C -1.284 173.426 174.700 0.016 0.000 1.078 53 T CA -0.485 61.572 62.100 -0.073 0.000 1.028 53 T CB 2.672 71.353 68.868 -0.310 0.000 1.091 53 T HN -0.140 nan 8.240 nan 0.000 0.457 54 V N 2.723 122.658 119.914 0.036 0.000 2.462 54 V HA 0.736 4.860 4.120 0.006 0.000 0.288 54 V C -0.148 176.010 176.094 0.108 0.000 1.020 54 V CA -0.492 61.869 62.300 0.101 0.000 0.857 54 V CB 1.575 33.459 31.823 0.102 0.000 1.013 54 V HN 0.984 nan 8.190 nan 0.000 0.431 55 T N 3.970 118.608 114.554 0.141 0.000 2.864 55 T HA 0.615 4.968 4.350 0.006 0.000 0.299 55 T C -1.114 173.718 174.700 0.220 0.000 1.166 55 T CA -0.547 61.671 62.100 0.197 0.000 1.007 55 T CB 1.623 70.622 68.868 0.217 0.000 1.219 55 T HN 0.534 nan 8.240 nan 0.000 0.506 56 L N 3.230 124.570 121.223 0.196 0.000 2.540 56 L HA 0.466 4.810 4.340 0.006 0.000 0.276 56 L C 0.303 177.261 176.870 0.146 0.000 1.212 56 L CA 0.198 55.128 54.840 0.151 0.000 0.893 56 L CB 0.293 42.424 42.059 0.119 0.000 1.138 56 L HN 0.603 nan 8.230 nan 0.000 0.491 57 R N 4.699 125.272 120.500 0.123 0.000 2.205 57 R HA 0.274 4.618 4.340 0.006 0.000 0.342 57 R C -0.487 175.833 176.300 0.033 0.000 1.058 57 R CA -0.063 56.080 56.100 0.072 0.000 0.904 57 R CB -0.078 30.275 30.300 0.087 0.000 1.089 57 R HN 0.734 nan 8.270 nan 0.000 0.471 58 E N 5.296 125.500 120.200 0.006 0.000 2.415 58 E HA 0.104 4.458 4.350 0.006 0.000 0.262 58 E C -1.948 174.654 176.600 0.004 0.000 1.038 58 E CA -1.489 54.903 56.400 -0.012 0.000 0.921 58 E CB 0.267 29.940 29.700 -0.044 0.000 0.950 58 E HN 0.516 nan 8.360 nan 0.000 0.438 59 P HA -0.040 nan 4.420 nan 0.000 0.267 59 P C -0.902 176.447 177.300 0.081 0.000 1.200 59 P CA 0.036 63.166 63.100 0.050 0.000 0.772 59 P CB 0.448 32.203 31.700 0.091 0.000 0.855 60 A N 2.844 125.712 122.820 0.078 0.000 2.555 60 A HA -0.076 4.248 4.320 0.006 0.000 0.233 60 A C 1.834 179.484 177.584 0.111 0.000 1.060 60 A CA 0.152 52.248 52.037 0.098 0.000 0.759 60 A CB -0.286 18.759 19.000 0.076 0.000 0.995 60 A HN 0.673 nan 8.150 nan 0.000 0.506 61 R N 1.132 121.671 120.500 0.066 0.000 2.083 61 R HA -0.183 4.160 4.340 0.006 0.000 0.237 61 R C 2.132 178.361 176.300 -0.117 0.000 1.137 61 R CA 2.161 58.161 56.100 -0.166 0.000 0.951 61 R CB -0.204 29.732 30.300 -0.607 0.000 0.851 61 R HN 0.871 nan 8.270 nan 0.000 0.434 62 K N -0.179 120.177 120.400 -0.074 0.000 2.002 62 K HA -0.145 4.178 4.320 0.006 0.000 0.209 62 K C 1.962 178.575 176.600 0.022 0.000 1.048 62 K CA 1.529 57.792 56.287 -0.040 0.000 0.930 62 K CB -0.218 32.273 32.500 -0.015 0.000 0.714 62 K HN 0.245 nan 8.250 nan 0.000 0.438 63 A N 0.541 123.396 122.820 0.058 0.000 1.883 63 A HA -0.228 4.095 4.320 0.006 0.000 0.217 63 A C 2.114 179.782 177.584 0.139 0.000 1.186 63 A CA 1.696 53.783 52.037 0.084 0.000 0.624 63 A CB -1.013 18.032 19.000 0.075 0.000 0.822 63 A HN 0.619 nan 8.150 nan 0.000 0.444 64 Y N 0.346 120.696 120.300 0.082 0.000 2.145 64 Y HA -0.170 4.384 4.550 0.006 0.000 0.286 64 Y C 2.044 178.081 175.900 0.228 0.000 1.145 64 Y CA 1.893 60.096 58.100 0.172 0.000 1.148 64 Y CB -0.260 38.318 38.460 0.196 0.000 0.981 64 Y HN 0.263 nan 8.280 nan 0.000 0.507 65 I N 0.101 120.746 120.570 0.125 0.000 2.286 65 I HA -0.323 3.851 4.170 0.006 0.000 0.248 65 I C 2.564 178.644 176.117 -0.061 0.000 1.115 65 I CA 1.649 62.958 61.300 0.016 0.000 1.392 65 I CB -0.472 37.536 38.000 0.012 0.000 1.065 65 I HN 0.344 nan 8.210 nan 0.000 0.418 66 Q N 0.133 119.922 119.800 -0.018 0.000 2.084 66 Q HA -0.274 4.070 4.340 0.006 0.000 0.202 66 Q C 2.131 178.108 176.000 -0.038 0.000 0.978 66 Q CA 2.032 57.821 55.803 -0.024 0.000 0.844 66 Q CB -0.223 28.521 28.738 0.010 0.000 0.898 66 Q HN 0.589 nan 8.270 nan 0.000 0.426 67 W N 1.308 122.492 121.300 -0.192 0.000 2.358 67 W HA -0.209 4.454 4.660 0.006 0.000 0.303 67 W C 2.059 178.414 176.519 -0.274 0.000 1.208 67 W CA 1.890 59.102 57.345 -0.221 0.000 1.274 67 W CB -0.059 29.252 29.460 -0.248 0.000 1.138 67 W HN -0.005 nan 8.180 nan 0.000 0.515 68 K N 0.443 120.526 120.400 -0.529 0.000 2.167 68 K HA -0.070 4.254 4.320 0.006 0.000 0.203 68 K C 1.552 177.853 176.600 -0.497 0.000 1.052 68 K CA 2.014 57.835 56.287 -0.777 0.000 0.956 68 K CB -0.169 32.016 32.500 -0.526 0.000 0.735 68 K HN 0.295 nan 8.250 nan 0.000 0.451 69 E N -1.168 118.849 120.200 -0.307 0.000 2.572 69 E HA 0.108 4.461 4.350 0.006 0.000 0.220 69 E C 0.357 176.861 176.600 -0.160 0.000 0.945 69 E CA 0.039 56.325 56.400 -0.191 0.000 1.070 69 E CB 0.872 30.509 29.700 -0.106 0.000 1.090 69 E HN 0.240 nan 8.360 nan 0.000 0.506 70 Q N -0.384 119.313 119.800 -0.170 0.000 2.093 70 Q HA 0.204 4.547 4.340 0.006 0.000 0.217 70 Q C 0.432 176.360 176.000 -0.119 0.000 0.785 70 Q CA 0.179 55.913 55.803 -0.116 0.000 1.038 70 Q CB 1.810 30.502 28.738 -0.077 0.000 1.190 70 Q HN 0.273 nan 8.270 nan 0.000 0.468 71 G N 0.942 109.635 108.800 -0.179 0.000 2.225 71 G HA2 -0.279 3.685 3.960 0.006 0.000 0.267 71 G HA3 -0.279 3.685 3.960 0.006 0.000 0.267 71 G C 0.395 175.241 174.900 -0.090 0.000 1.024 71 G CA 0.077 45.082 45.100 -0.158 0.000 0.784 71 G HN 0.475 nan 8.290 nan 0.000 0.507 72 G N -0.418 108.339 108.800 -0.071 0.000 2.588 72 G HA2 0.646 4.610 3.960 0.006 0.000 0.281 72 G HA3 0.646 4.610 3.960 0.006 0.000 0.281 72 G C -1.716 173.248 174.900 0.106 0.000 1.236 72 G CA -0.854 44.256 45.100 0.017 0.000 0.969 72 G HN 0.253 nan 8.290 nan 0.000 0.504 73 P HA 0.104 nan 4.420 nan 0.000 0.267 73 P C -0.199 177.206 177.300 0.175 0.000 1.200 73 P CA -0.429 62.738 63.100 0.112 0.000 0.772 73 P CB 0.590 32.327 31.700 0.063 0.000 0.855 74 L N 6.094 127.397 121.223 0.134 0.000 2.418 74 L HA 0.283 4.627 4.340 0.006 0.000 0.274 74 L C -2.169 174.647 176.870 -0.089 0.000 1.135 74 L CA -1.590 53.242 54.840 -0.013 0.000 0.870 74 L CB -0.495 41.557 42.059 -0.011 0.000 1.154 74 L HN 0.290 nan 8.230 nan 0.000 0.462 75 P HA 0.220 nan 4.420 nan 0.000 0.268 75 P C -2.517 174.726 177.300 -0.095 0.000 1.205 75 P CA -0.868 62.171 63.100 -0.102 0.000 0.771 75 P CB -0.199 31.438 31.700 -0.104 0.000 0.858 76 P HA 0.124 nan 4.420 nan 0.000 0.266 76 P C -0.297 176.986 177.300 -0.029 0.000 1.195 76 P CA -0.065 63.019 63.100 -0.027 0.000 0.768 76 P CB 0.395 32.094 31.700 -0.002 0.000 0.838 77 R N 3.382 123.869 120.500 -0.023 0.000 2.210 77 R HA 0.369 4.712 4.340 0.006 0.000 0.338 77 R C -0.932 175.381 176.300 0.021 0.000 1.062 77 R CA 0.182 56.277 56.100 -0.009 0.000 0.902 77 R CB -0.837 29.457 30.300 -0.010 0.000 1.050 77 R HN 0.439 nan 8.270 nan 0.000 0.461 78 L N 3.066 124.312 121.223 0.038 0.000 2.362 78 L HA 0.744 5.087 4.340 0.006 0.000 0.271 78 L C -0.401 176.529 176.870 0.101 0.000 1.002 78 L CA -1.338 53.542 54.840 0.067 0.000 0.818 78 L CB 2.210 44.308 42.059 0.065 0.000 1.298 78 L HN 0.684 nan 8.230 nan 0.000 0.420 79 A N 2.084 124.984 122.820 0.133 0.000 2.318 79 A HA 0.550 4.874 4.320 0.006 0.000 0.324 79 A C -1.482 176.252 177.584 0.251 0.000 1.170 79 A CA -0.358 51.787 52.037 0.179 0.000 0.810 79 A CB 0.857 19.951 19.000 0.158 0.000 1.198 79 A HN 0.594 nan 8.150 nan 0.000 0.484 80 Y N 3.385 123.752 120.300 0.111 0.000 2.320 80 Y HA 0.572 5.126 4.550 0.006 0.000 0.334 80 Y C -0.750 175.227 175.900 0.129 0.000 1.055 80 Y CA -0.890 57.248 58.100 0.063 0.000 1.143 80 Y CB 0.740 39.221 38.460 0.034 0.000 1.193 80 Y HN 0.699 nan 8.280 nan 0.000 0.477 81 Y N 3.210 123.228 120.300 -0.469 0.000 2.536 81 Y HA 0.827 5.381 4.550 0.006 0.000 0.347 81 Y C -1.957 173.577 175.900 -0.609 0.000 1.000 81 Y CA -1.722 56.153 58.100 -0.375 0.000 1.051 81 Y CB 1.163 39.612 38.460 -0.018 0.000 1.259 81 Y HN 0.347 nan 8.280 nan 0.000 0.468 82 V N 4.805 124.594 119.914 -0.208 0.000 2.577 82 V HA 0.542 4.666 4.120 0.006 0.000 0.303 82 V C -0.229 175.842 176.094 -0.039 0.000 1.042 82 V CA -0.771 61.431 62.300 -0.164 0.000 0.872 82 V CB 1.399 33.165 31.823 -0.095 0.000 0.998 82 V HN 0.852 nan 8.190 nan 0.000 0.423 83 I N 2.688 123.198 120.570 -0.101 0.000 2.892 83 I HA 0.722 4.896 4.170 0.006 0.000 0.306 83 I C -1.397 174.572 176.117 -0.246 0.000 1.078 83 I CA -0.982 60.154 61.300 -0.274 0.000 1.032 83 I CB 2.221 39.908 38.000 -0.521 0.000 1.229 83 I HN 0.224 nan 8.210 nan 0.000 0.435 84 L N 2.309 123.381 121.223 -0.251 0.000 2.330 84 L HA 0.581 4.924 4.340 0.006 0.000 0.271 84 L C -0.343 176.391 176.870 -0.226 0.000 1.013 84 L CA -0.278 54.444 54.840 -0.196 0.000 0.816 84 L CB 1.564 43.545 42.059 -0.130 0.000 1.287 84 L HN 0.821 nan 8.230 nan 0.000 0.435 85 E N 0.955 121.044 120.200 -0.185 0.000 2.210 85 E HA 0.585 4.938 4.350 0.006 0.000 0.266 85 E C -0.775 175.764 176.600 -0.102 0.000 0.883 85 E CA -0.764 55.538 56.400 -0.164 0.000 0.761 85 E CB 2.246 31.836 29.700 -0.183 0.000 1.156 85 E HN 0.739 nan 8.360 nan 0.000 0.412 86 A N 2.663 125.435 122.820 -0.079 0.000 2.546 86 A HA 0.395 4.719 4.320 0.006 0.000 0.243 86 A C 1.207 178.766 177.584 -0.041 0.000 1.063 86 A CA 0.977 52.983 52.037 -0.051 0.000 0.757 86 A CB -0.468 18.509 19.000 -0.038 0.000 0.991 86 A HN 1.133 nan 8.150 nan 0.000 0.503 87 G N 1.485 110.266 108.800 -0.033 0.000 2.184 87 G HA2 -0.206 3.757 3.960 0.006 0.000 0.264 87 G HA3 -0.206 3.757 3.960 0.006 0.000 0.264 87 G C 0.214 175.100 174.900 -0.024 0.000 0.975 87 G CA 0.741 45.827 45.100 -0.023 0.000 0.642 87 G HN 0.746 nan 8.290 nan 0.000 0.536 88 K N 0.948 121.326 120.400 -0.037 0.000 2.270 88 K HA 0.528 4.851 4.320 0.006 0.000 0.255 88 K C -2.338 174.239 176.600 -0.039 0.000 0.936 88 K CA -1.668 54.597 56.287 -0.037 0.000 0.809 88 K CB 2.587 35.056 32.500 -0.052 0.000 1.131 88 K HN 0.141 nan 8.250 nan 0.000 0.427 89 P HA 0.225 nan 4.420 nan 0.000 0.277 89 P C 0.544 177.821 177.300 -0.039 0.000 1.240 89 P CA 0.178 63.265 63.100 -0.022 0.000 0.798 89 P CB 0.795 32.493 31.700 -0.003 0.000 0.979 90 G N 0.665 109.440 108.800 -0.042 0.000 2.527 90 G HA2 -0.074 3.889 3.960 0.006 0.000 0.268 90 G HA3 -0.074 3.889 3.960 0.006 0.000 0.268 90 G C -0.337 174.499 174.900 -0.107 0.000 1.175 90 G CA 0.427 45.486 45.100 -0.067 0.000 0.962 90 G HN 1.012 nan 8.290 nan 0.000 0.560 91 V N -3.589 116.240 119.914 -0.142 0.000 3.181 91 V HA 0.935 5.059 4.120 0.006 0.000 0.308 91 V C -0.530 175.470 176.094 -0.156 0.000 1.214 91 V CA -0.680 61.514 62.300 -0.177 0.000 1.053 91 V CB 1.935 33.603 31.823 -0.258 0.000 1.069 91 V HN 1.046 nan 8.190 nan 0.000 0.441 92 K N 1.159 121.463 120.400 -0.161 0.000 2.316 92 K HA 0.710 5.033 4.320 0.006 0.000 0.251 92 K C -1.000 175.530 176.600 -0.117 0.000 0.934 92 K CA -0.548 55.676 56.287 -0.106 0.000 0.802 92 K CB 2.357 34.779 32.500 -0.130 0.000 1.171 92 K HN 1.014 nan 8.250 nan 0.000 0.426 93 E N 0.436 120.548 120.200 -0.146 0.000 2.416 93 E HA 0.800 5.154 4.350 0.006 0.000 0.273 93 E C -0.488 175.762 176.600 -0.583 0.000 0.935 93 E CA -1.249 54.905 56.400 -0.410 0.000 0.784 93 E CB 2.244 31.857 29.700 -0.145 0.000 1.301 93 E HN 0.639 nan 8.360 nan 0.000 0.454 94 G N 0.260 108.392 108.800 -1.114 0.000 2.340 94 G HA2 0.403 4.366 3.960 0.006 0.000 0.299 94 G HA3 0.403 4.366 3.960 0.006 0.000 0.299 94 G C -1.821 172.783 174.900 -0.493 0.000 1.291 94 G CA -1.013 43.665 45.100 -0.703 0.000 0.841 94 G HN 0.410 nan 8.290 nan 0.000 0.500 95 L N -0.006 121.199 121.223 -0.030 0.000 2.381 95 L HA 0.708 5.051 4.340 0.006 0.000 0.268 95 L C -0.545 176.451 176.870 0.209 0.000 0.997 95 L CA -1.187 53.733 54.840 0.133 0.000 0.818 95 L CB 2.276 44.394 42.059 0.099 0.000 1.310 95 L HN 0.332 nan 8.230 nan 0.000 0.416 96 V N 1.067 121.112 119.914 0.219 0.000 2.417 96 V HA 0.166 4.289 4.120 0.006 0.000 0.291 96 V C -0.530 175.619 176.094 0.091 0.000 1.024 96 V CA -0.521 61.863 62.300 0.140 0.000 0.861 96 V CB 1.924 33.827 31.823 0.133 0.000 0.985 96 V HN 0.704 nan 8.190 nan 0.000 0.436 97 D N 3.634 124.069 120.400 0.058 0.000 2.336 97 D HA 0.242 4.886 4.640 0.006 0.000 0.249 97 D C 0.991 177.312 176.300 0.035 0.000 1.213 97 D CA -0.085 53.940 54.000 0.042 0.000 0.870 97 D CB 0.969 41.787 40.800 0.030 0.000 1.076 97 D HN 0.451 nan 8.370 nan 0.000 0.483 98 L N 3.579 124.823 121.223 0.034 0.000 2.141 98 L HA -0.056 4.287 4.340 0.006 0.000 0.209 98 L C 2.352 179.233 176.870 0.018 0.000 1.094 98 L CA 0.942 55.798 54.840 0.027 0.000 0.763 98 L CB -0.280 41.795 42.059 0.027 0.000 0.908 98 L HN 0.565 nan 8.230 nan 0.000 0.437 99 A N -0.193 122.636 122.820 0.015 0.000 1.930 99 A HA -0.170 4.153 4.320 0.006 0.000 0.217 99 A C 2.351 179.943 177.584 0.013 0.000 1.175 99 A CA 1.896 53.940 52.037 0.012 0.000 0.627 99 A CB -0.410 18.595 19.000 0.009 0.000 0.815 99 A HN 0.491 nan 8.150 nan 0.000 0.443 100 S N -1.381 114.328 115.700 0.016 0.000 2.540 100 S HA 0.395 4.869 4.470 0.006 0.000 0.218 100 S C 0.489 175.099 174.600 0.018 0.000 0.977 100 S CA 0.149 58.359 58.200 0.016 0.000 0.918 100 S CB -0.528 62.683 63.200 0.018 0.000 0.806 100 S HN 0.607 nan 8.310 nan 0.000 0.496 101 L N 2.118 123.352 121.223 0.018 0.000 3.762 101 L HA -0.177 4.167 4.340 0.006 0.000 0.460 101 L C 0.048 176.931 176.870 0.022 0.000 1.255 101 L CA 0.492 55.343 54.840 0.019 0.000 0.783 101 L CB -2.440 39.628 42.059 0.015 0.000 1.600 101 L HN 0.682 nan 8.230 nan 0.000 0.862 102 S N -2.200 113.513 115.700 0.022 0.000 2.549 102 S HA 0.760 5.233 4.470 0.006 0.000 0.280 102 S C -0.329 174.270 174.600 -0.002 0.000 1.109 102 S CA -1.017 57.194 58.200 0.019 0.000 0.905 102 S CB 2.585 65.800 63.200 0.026 0.000 1.081 102 S HN 0.002 nan 8.310 nan 0.000 0.477 103 V N 3.407 123.285 119.914 -0.061 0.000 2.508 103 V HA 0.231 4.354 4.120 0.006 0.000 0.281 103 V C 1.103 177.139 176.094 -0.096 0.000 1.041 103 V CA -0.084 62.130 62.300 -0.145 0.000 1.016 103 V CB 0.339 31.819 31.823 -0.572 0.000 0.984 103 V HN 0.919 nan 8.190 nan 0.000 0.478 104 I N 1.031 121.586 120.570 -0.026 0.000 4.139 104 I HA 0.554 4.727 4.170 0.006 0.000 0.335 104 I C 0.530 176.648 176.117 0.001 0.000 1.327 104 I CA 0.250 61.548 61.300 -0.003 0.000 1.112 104 I CB 0.531 38.543 38.000 0.020 0.000 1.058 104 I HN 0.583 nan 8.210 nan 0.000 0.396 105 E N 0.550 120.747 120.200 -0.005 0.000 2.354 105 E HA 0.476 4.830 4.350 0.006 0.000 0.283 105 E C -1.409 175.190 176.600 -0.002 0.000 0.938 105 E CA -0.439 55.965 56.400 0.007 0.000 0.777 105 E CB 2.529 32.241 29.700 0.020 0.000 1.222 105 E HN 0.101 nan 8.360 nan 0.000 0.423 106 T N 2.426 116.992 114.554 0.021 0.000 2.932 106 T HA 0.668 5.022 4.350 0.006 0.000 0.318 106 T C -1.926 172.820 174.700 0.077 0.000 1.265 106 T CA -0.670 61.466 62.100 0.060 0.000 1.036 106 T CB 0.946 69.883 68.868 0.115 0.000 1.209 106 T HN 0.593 nan 8.240 nan 0.000 0.484 107 R N 1.534 122.078 120.500 0.074 0.000 2.663 107 R HA 0.819 5.163 4.340 0.006 0.000 0.267 107 R C -1.609 174.725 176.300 0.056 0.000 1.038 107 R CA -1.204 54.939 56.100 0.073 0.000 0.886 107 R CB 1.149 31.479 30.300 0.050 0.000 1.249 107 R HN 0.665 nan 8.270 nan 0.000 0.463 108 A N 3.031 125.884 122.820 0.053 0.000 2.290 108 A HA 0.612 4.935 4.320 0.006 0.000 0.310 108 A C -0.520 177.063 177.584 -0.001 0.000 1.202 108 A CA -0.861 51.187 52.037 0.020 0.000 0.837 108 A CB 0.618 19.637 19.000 0.033 0.000 1.139 108 A HN 0.609 nan 8.150 nan 0.000 0.509 109 L N 3.148 124.348 121.223 -0.037 0.000 2.384 109 L HA 0.315 4.658 4.340 0.006 0.000 0.261 109 L C 0.655 177.494 176.870 -0.051 0.000 1.024 109 L CA -0.073 54.741 54.840 -0.043 0.000 0.899 109 L CB 1.126 43.139 42.059 -0.077 0.000 1.243 109 L HN 0.901 nan 8.230 nan 0.000 0.449 110 E N 0.439 120.627 120.200 -0.021 0.000 2.427 110 E HA -0.068 4.285 4.350 0.006 0.000 0.196 110 E C 0.875 177.474 176.600 -0.002 0.000 1.028 110 E CA 0.997 57.389 56.400 -0.015 0.000 0.864 110 E CB 0.340 30.041 29.700 0.000 0.000 0.813 110 E HN 0.658 nan 8.360 nan 0.000 0.514 111 T N -1.938 112.620 114.554 0.006 0.000 3.296 111 T HA 0.312 4.665 4.350 0.006 0.000 0.285 111 T C 0.065 174.794 174.700 0.049 0.000 1.014 111 T CA -0.537 61.586 62.100 0.038 0.000 0.920 111 T CB -0.184 68.716 68.868 0.054 0.000 1.143 111 T HN -0.016 nan 8.240 nan 0.000 0.522 112 V N -2.412 117.506 119.914 0.006 0.000 3.141 112 V HA 0.844 4.968 4.120 0.006 0.000 0.312 112 V C -1.665 174.421 176.094 -0.014 0.000 1.157 112 V CA -1.077 61.232 62.300 0.014 0.000 1.041 112 V CB 2.398 34.203 31.823 -0.030 0.000 1.071 112 V HN 0.179 nan 8.190 nan 0.000 0.441 113 Q N 1.593 121.412 119.800 0.032 0.000 2.397 113 Q HA 0.670 5.013 4.340 0.006 0.000 0.275 113 Q C -2.888 173.144 176.000 0.053 0.000 1.090 113 Q CA -1.630 54.183 55.803 0.018 0.000 0.809 113 Q CB 2.943 31.712 28.738 0.051 0.000 1.362 113 Q HN 0.742 nan 8.270 nan 0.000 0.431 114 P HA 0.370 nan 4.420 nan 0.000 0.288 114 P C -0.085 177.270 177.300 0.093 0.000 1.297 114 P CA -0.874 62.310 63.100 0.139 0.000 0.864 114 P CB 1.358 33.116 31.700 0.098 0.000 1.237 115 I N 0.365 121.007 120.570 0.120 0.000 2.919 115 I HA -0.121 4.053 4.170 0.006 0.000 0.303 115 I C -0.088 176.073 176.117 0.073 0.000 1.221 115 I CA 0.301 61.645 61.300 0.072 0.000 1.444 115 I CB 0.044 38.157 38.000 0.187 0.000 1.331 115 I HN 0.121 nan 8.210 nan 0.000 0.572 116 L N 7.618 128.846 121.223 0.009 0.000 2.290 116 L HA 0.280 4.623 4.340 0.006 0.000 0.284 116 L C 0.631 177.561 176.870 0.099 0.000 1.078 116 L CA -0.463 54.414 54.840 0.062 0.000 0.815 116 L CB 1.119 43.239 42.059 0.102 0.000 1.162 116 L HN 0.666 nan 8.230 nan 0.000 0.435 117 T N -0.591 113.943 114.554 -0.033 0.000 2.824 117 T HA 0.249 4.603 4.350 0.006 0.000 0.277 117 T C 1.323 175.963 174.700 -0.099 0.000 0.975 117 T CA -0.883 61.062 62.100 -0.258 0.000 0.966 117 T CB 1.509 70.111 68.868 -0.445 0.000 1.054 117 T HN 0.194 nan 8.240 nan 0.000 0.533 118 V N 1.168 121.003 119.914 -0.132 0.000 2.332 118 V HA -0.165 3.958 4.120 0.006 0.000 0.248 118 V C 2.860 178.955 176.094 0.001 0.000 1.055 118 V CA 2.171 64.464 62.300 -0.011 0.000 1.038 118 V CB -1.039 30.798 31.823 0.023 0.000 0.651 118 V HN 0.943 nan 8.190 nan 0.000 0.450 119 E N -0.166 120.015 120.200 -0.033 0.000 2.097 119 E HA -0.263 4.090 4.350 0.006 0.000 0.196 119 E C 1.990 178.597 176.600 0.010 0.000 1.000 119 E CA 1.607 58.003 56.400 -0.007 0.000 0.804 119 E CB -0.218 29.471 29.700 -0.019 0.000 0.740 119 E HN 0.643 nan 8.360 nan 0.000 0.454 120 D N 0.554 120.957 120.400 0.004 0.000 2.117 120 D HA -0.135 4.508 4.640 0.006 0.000 0.197 120 D C 2.120 178.460 176.300 0.067 0.000 0.987 120 D CA 0.817 54.837 54.000 0.033 0.000 0.829 120 D CB -0.181 40.641 40.800 0.036 0.000 0.961 120 D HN 0.199 nan 8.370 nan 0.000 0.460 121 L N 0.246 121.517 121.223 0.082 0.000 2.093 121 L HA -0.130 4.213 4.340 0.006 0.000 0.208 121 L C 2.495 179.419 176.870 0.089 0.000 1.085 121 L CA 0.702 55.604 54.840 0.103 0.000 0.755 121 L CB -0.402 41.716 42.059 0.098 0.000 0.904 121 L HN 0.105 nan 8.230 nan 0.000 0.435 122 C N -0.438 118.904 119.300 0.069 0.000 2.481 122 C HA -0.060 4.403 4.460 0.006 0.000 0.275 122 C C 3.091 178.114 174.990 0.054 0.000 1.419 122 C CA 0.895 59.952 59.018 0.065 0.000 1.773 122 C CB -0.851 26.923 27.740 0.056 0.000 1.862 122 C HN 0.663 nan 8.230 nan 0.000 0.530 123 S N 0.181 115.910 115.700 0.048 0.000 2.461 123 S HA -0.103 4.371 4.470 0.006 0.000 0.228 123 S C 1.444 176.066 174.600 0.037 0.000 1.005 123 S CA 1.577 59.799 58.200 0.036 0.000 0.942 123 S CB -0.729 62.489 63.200 0.029 0.000 0.776 123 S HN 0.596 nan 8.310 nan 0.000 0.514 124 T N 2.108 116.694 114.554 0.052 0.000 2.904 124 T HA 0.048 4.402 4.350 0.006 0.000 0.267 124 T C 1.594 176.320 174.700 0.043 0.000 1.059 124 T CA 1.263 63.394 62.100 0.053 0.000 1.137 124 T CB -0.270 68.644 68.868 0.077 0.000 0.879 124 T HN 0.534 nan 8.240 nan 0.000 0.467 125 E N 0.992 121.217 120.200 0.041 0.000 2.085 125 E HA -0.176 4.177 4.350 0.006 0.000 0.194 125 E C 2.275 178.871 176.600 -0.006 0.000 0.994 125 E CA 1.080 57.487 56.400 0.012 0.000 0.801 125 E CB -0.057 29.635 29.700 -0.014 0.000 0.743 125 E HN 0.563 nan 8.360 nan 0.000 0.453 126 E N 0.169 120.368 120.200 -0.002 0.000 2.118 126 E HA -0.194 4.159 4.350 0.006 0.000 0.195 126 E C 2.000 178.602 176.600 0.003 0.000 0.992 126 E CA 1.154 57.552 56.400 -0.004 0.000 0.804 126 E CB 0.191 29.892 29.700 0.001 0.000 0.741 126 E HN 0.076 nan 8.360 nan 0.000 0.458 127 V N 1.898 121.819 119.914 0.011 0.000 2.270 127 V HA -0.265 3.858 4.120 0.006 0.000 0.245 127 V C 2.494 178.597 176.094 0.016 0.000 1.043 127 V CA 1.983 64.290 62.300 0.012 0.000 1.014 127 V CB -0.647 31.184 31.823 0.013 0.000 0.645 127 V HN 0.491 nan 8.190 nan 0.000 0.447 128 I N -1.248 119.337 120.570 0.026 0.000 2.439 128 I HA -0.146 4.028 4.170 0.006 0.000 0.251 128 I C 2.527 178.665 176.117 0.036 0.000 1.139 128 I CA 1.474 62.799 61.300 0.041 0.000 1.438 128 I CB -0.576 37.464 38.000 0.067 0.000 1.085 128 I HN 0.060 nan 8.210 nan 0.000 0.427 129 R N 1.265 121.775 120.500 0.017 0.000 2.152 129 R HA -0.014 4.330 4.340 0.006 0.000 0.232 129 R C 1.235 177.542 176.300 0.011 0.000 1.117 129 R CA 1.294 57.400 56.100 0.010 0.000 0.981 129 R CB -0.396 29.895 30.300 -0.015 0.000 0.870 129 R HN 0.545 nan 8.270 nan 0.000 0.451 130 N N 0.541 119.246 118.700 0.008 0.000 2.205 130 N HA -0.035 4.708 4.740 0.006 0.000 0.201 130 N C -0.666 174.845 175.510 0.001 0.000 1.128 130 N CA 0.143 53.196 53.050 0.005 0.000 0.867 130 N CB 0.508 38.997 38.487 0.002 0.000 0.996 130 N HN 0.156 nan 8.380 nan 0.000 0.503 131 D N 1.129 121.531 120.400 0.003 0.000 2.295 131 D HA 0.176 4.819 4.640 0.006 0.000 0.248 131 D C -1.575 174.715 176.300 -0.016 0.000 1.154 131 D CA -1.942 52.055 54.000 -0.004 0.000 0.857 131 D CB 1.942 42.742 40.800 0.000 0.000 1.117 131 D HN -0.107 nan 8.370 nan 0.000 0.468 132 P HA -0.180 nan 4.420 nan 0.000 0.216 132 P C 0.834 178.100 177.300 -0.057 0.000 1.153 132 P CA 1.335 64.415 63.100 -0.034 0.000 0.858 132 P CB 0.138 31.819 31.700 -0.030 0.000 0.789 133 A N -0.876 121.905 122.820 -0.065 0.000 1.930 133 A HA -0.118 4.205 4.320 0.006 0.000 0.217 133 A C 2.312 179.809 177.584 -0.144 0.000 1.175 133 A CA 1.561 53.535 52.037 -0.105 0.000 0.627 133 A CB -1.570 17.367 19.000 -0.105 0.000 0.815 133 A HN 0.041 nan 8.150 nan 0.000 0.443 134 V N 0.168 120.027 119.914 -0.091 0.000 2.358 134 V HA -0.230 3.893 4.120 0.006 0.000 0.246 134 V C 2.392 178.430 176.094 -0.094 0.000 1.047 134 V CA 1.850 64.103 62.300 -0.078 0.000 1.035 134 V CB -0.661 31.195 31.823 0.055 0.000 0.658 134 V HN 0.566 nan 8.190 nan 0.000 0.452 135 I N 0.102 120.640 120.570 -0.053 0.000 2.208 135 I HA -0.290 3.884 4.170 0.006 0.000 0.245 135 I C 2.608 178.674 176.117 -0.085 0.000 1.097 135 I CA 2.005 63.281 61.300 -0.039 0.000 1.363 135 I CB -0.390 37.596 38.000 -0.023 0.000 1.051 135 I HN 0.412 nan 8.210 nan 0.000 0.413 136 E N 0.598 120.728 120.200 -0.116 0.000 2.097 136 E HA -0.283 4.071 4.350 0.006 0.000 0.196 136 E C 2.185 178.658 176.600 -0.212 0.000 1.000 136 E CA 1.294 57.610 56.400 -0.139 0.000 0.804 136 E CB 0.094 29.713 29.700 -0.134 0.000 0.740 136 E HN 0.431 nan 8.360 nan 0.000 0.454 137 Q N -0.165 119.413 119.800 -0.369 0.000 2.167 137 Q HA -0.117 4.226 4.340 0.006 0.000 0.202 137 Q C 2.353 178.086 176.000 -0.445 0.000 0.970 137 Q CA 0.974 56.390 55.803 -0.645 0.000 0.855 137 Q CB -0.502 27.373 28.738 -1.438 0.000 0.911 137 Q HN 0.444 nan 8.270 nan 0.000 0.438 138 C N -0.325 118.857 119.300 -0.196 0.000 2.446 138 C HA -0.047 4.416 4.460 0.006 0.000 0.277 138 C C 2.842 177.828 174.990 -0.007 0.000 1.275 138 C CA 0.333 59.382 59.018 0.051 0.000 1.727 138 C CB -0.877 26.925 27.740 0.103 0.000 2.010 138 C HN 0.246 nan 8.230 nan 0.000 0.486 139 V N 0.667 120.552 119.914 -0.049 0.000 2.343 139 V HA -0.182 3.941 4.120 0.006 0.000 0.247 139 V C 2.383 178.447 176.094 -0.050 0.000 1.051 139 V CA 1.532 63.806 62.300 -0.044 0.000 1.036 139 V CB -0.663 31.133 31.823 -0.046 0.000 0.654 139 V HN 0.391 nan 8.190 nan 0.000 0.451 140 L N 0.178 121.357 121.223 -0.074 0.000 2.187 140 L HA -0.101 4.243 4.340 0.006 0.000 0.213 140 L C 2.293 179.142 176.870 -0.034 0.000 1.100 140 L CA 1.764 56.565 54.840 -0.065 0.000 0.765 140 L CB -0.997 41.003 42.059 -0.100 0.000 0.904 140 L HN 0.303 nan 8.230 nan 0.000 0.437 141 S N -0.987 114.707 115.700 -0.010 0.000 2.593 141 S HA 0.314 4.787 4.470 0.006 0.000 0.217 141 S C 1.410 175.998 174.600 -0.020 0.000 0.966 141 S CA 0.592 58.809 58.200 0.028 0.000 0.914 141 S CB 0.165 63.453 63.200 0.146 0.000 0.776 141 S HN 0.613 nan 8.310 nan 0.000 0.523 142 G N 1.362 110.139 108.800 -0.040 0.000 2.144 142 G HA2 -0.197 3.767 3.960 0.006 0.000 0.218 142 G HA3 -0.197 3.767 3.960 0.006 0.000 0.218 142 G C -0.098 174.743 174.900 -0.098 0.000 0.988 142 G CA -0.461 44.600 45.100 -0.065 0.000 0.659 142 G HN 0.477 nan 8.290 nan 0.000 0.522 143 I N 1.875 122.394 120.570 -0.084 0.000 2.355 143 I HA 0.357 4.530 4.170 0.006 0.000 0.288 143 I C -2.135 173.967 176.117 -0.025 0.000 0.999 143 I CA -2.559 58.689 61.300 -0.087 0.000 1.163 143 I CB 1.979 39.934 38.000 -0.075 0.000 1.316 143 I HN -0.167 nan 8.210 nan 0.000 0.454 144 P HA 0.042 nan 4.420 nan 0.000 0.269 144 P C 0.515 177.826 177.300 0.017 0.000 1.209 144 P CA -0.107 62.996 63.100 0.005 0.000 0.776 144 P CB 0.901 32.612 31.700 0.018 0.000 0.876 145 A N 3.339 126.166 122.820 0.012 0.000 1.986 145 A HA -0.222 4.101 4.320 0.006 0.000 0.220 145 A C 1.552 179.156 177.584 0.034 0.000 1.171 145 A CA 1.948 53.993 52.037 0.015 0.000 0.640 145 A CB -1.240 17.762 19.000 0.004 0.000 0.811 145 A HN 0.724 nan 8.150 nan 0.000 0.451 146 N N -0.495 118.232 118.700 0.044 0.000 2.449 146 N HA -0.030 4.713 4.740 0.006 0.000 0.191 146 N C 0.064 175.647 175.510 0.122 0.000 1.161 146 N CA 0.489 53.582 53.050 0.071 0.000 0.863 146 N CB 0.012 38.535 38.487 0.059 0.000 0.980 146 N HN 0.452 nan 8.380 nan 0.000 0.458 147 E N 0.103 120.354 120.200 0.085 0.000 2.685 147 E HA 0.178 4.531 4.350 0.006 0.000 0.208 147 E C 0.827 177.393 176.600 -0.057 0.000 0.996 147 E CA -0.252 56.166 56.400 0.029 0.000 1.054 147 E CB 0.311 30.035 29.700 0.039 0.000 1.075 147 E HN 0.232 nan 8.360 nan 0.000 0.460 148 M N 0.682 120.298 119.600 0.027 0.000 2.358 148 M HA -0.116 4.368 4.480 0.006 0.000 0.264 148 M C 1.994 178.265 176.300 -0.049 0.000 1.064 148 M CA 1.213 56.518 55.300 0.009 0.000 1.093 148 M CB -1.130 31.489 32.600 0.032 0.000 1.401 148 M HN 0.325 nan 8.290 nan 0.000 0.440 149 H N -0.593 118.459 119.070 -0.030 0.000 2.543 149 H HA -0.026 4.534 4.556 0.006 0.000 0.286 149 H C 0.952 176.209 175.328 -0.118 0.000 1.037 149 H CA 0.878 56.871 56.048 -0.092 0.000 1.250 149 H CB -0.374 29.357 29.762 -0.051 0.000 1.373 149 H HN 0.366 nan 8.280 nan 0.000 0.580 150 K N 0.941 121.053 120.400 -0.480 0.000 2.374 150 K HA 0.212 4.536 4.320 0.006 0.000 0.196 150 K C -0.033 176.587 176.600 0.032 0.000 1.023 150 K CA -0.091 56.047 56.287 -0.247 0.000 1.103 150 K CB 1.211 33.532 32.500 -0.298 0.000 0.848 150 K HN 0.013 nan 8.250 nan 0.000 0.528 151 V N 1.830 121.725 119.914 -0.031 0.000 2.439 151 V HA 0.245 4.368 4.120 0.006 0.000 0.282 151 V C -0.631 175.415 176.094 -0.079 0.000 1.039 151 V CA -0.557 61.802 62.300 0.099 0.000 0.913 151 V CB 0.347 32.232 31.823 0.103 0.000 0.983 151 V HN 0.055 nan 8.190 nan 0.000 0.460 152 Y N 2.817 123.158 120.300 0.068 0.000 2.602 152 Y HA 0.740 5.293 4.550 0.006 0.000 0.342 152 Y C 0.257 176.223 175.900 0.109 0.000 1.029 152 Y CA -0.737 57.402 58.100 0.065 0.000 1.080 152 Y CB 2.193 40.666 38.460 0.022 0.000 1.284 152 Y HN 0.837 nan 8.280 nan 0.000 0.485 153 C N -1.139 118.324 119.300 0.272 0.000 2.985 153 C HA 0.598 5.062 4.460 0.006 0.000 0.314 153 C C -1.614 173.542 174.990 0.277 0.000 1.215 153 C CA -1.050 58.118 59.018 0.250 0.000 1.414 153 C CB 1.447 29.271 27.740 0.141 0.000 1.842 153 C HN 0.728 nan 8.230 nan 0.000 0.477 154 D N 4.330 124.940 120.400 0.351 0.000 2.380 154 D HA 0.383 5.027 4.640 0.006 0.000 0.230 154 D C -2.273 174.285 176.300 0.430 0.000 1.154 154 D CA -1.271 52.970 54.000 0.402 0.000 0.859 154 D CB 1.502 42.648 40.800 0.576 0.000 1.045 154 D HN 0.527 nan 8.370 nan 0.000 0.495 155 P HA 0.147 nan 4.420 nan 0.000 0.226 155 P C -0.392 177.150 177.300 0.403 0.000 1.832 155 P CA -0.671 62.607 63.100 0.297 0.000 1.092 155 P CB -0.267 31.550 31.700 0.195 0.000 1.873 156 W N 1.037 122.416 121.300 0.133 0.000 2.123 156 W HA 0.125 4.788 4.660 0.006 0.000 0.351 156 W C 1.597 178.240 176.519 0.207 0.000 1.292 156 W CA 0.378 57.854 57.345 0.217 0.000 1.263 156 W CB -0.350 29.197 29.460 0.145 0.000 1.165 156 W HN 0.106 nan 8.180 nan 0.000 0.590 157 T N 2.497 117.326 114.554 0.459 0.000 2.906 157 T HA -0.073 4.281 4.350 0.006 0.000 0.320 157 T C 1.300 176.132 174.700 0.219 0.000 1.088 157 T CA -0.219 62.011 62.100 0.217 0.000 1.120 157 T CB 0.275 69.170 68.868 0.045 0.000 1.000 157 T HN 0.444 nan 8.240 nan 0.000 0.550 158 I N 2.846 123.489 120.570 0.123 0.000 2.700 158 I HA 0.006 4.180 4.170 0.006 0.000 0.261 158 I C 1.745 177.905 176.117 0.071 0.000 1.219 158 I CA 1.612 62.961 61.300 0.081 0.000 1.463 158 I CB -0.781 37.245 38.000 0.044 0.000 1.092 158 I HN 1.111 nan 8.210 nan 0.000 0.452 159 G N 0.261 109.108 108.800 0.079 0.000 5.356 159 G HA2 -0.381 3.583 3.960 0.006 0.000 0.309 159 G HA3 -0.381 3.583 3.960 0.006 0.000 0.309 159 G C -0.031 174.979 174.900 0.183 0.000 1.451 159 G CA 0.467 45.579 45.100 0.020 0.000 0.978 159 G HN 0.417 nan 8.290 nan 0.000 0.771 160 Y N 2.036 122.375 120.300 0.065 0.000 2.442 160 Y HA 0.599 5.153 4.550 0.006 0.000 0.330 160 Y C -2.103 173.855 175.900 0.097 0.000 1.100 160 Y CA -0.691 57.468 58.100 0.098 0.000 1.034 160 Y CB 2.152 40.667 38.460 0.091 0.000 1.285 160 Y HN 0.464 nan 8.280 nan 0.000 0.440 161 D N 5.335 125.342 120.400 -0.656 0.000 2.620 161 D HA 0.133 4.777 4.640 0.006 0.000 0.252 161 D C 0.452 176.302 176.300 -0.749 0.000 1.207 161 D CA -0.259 53.460 54.000 -0.469 0.000 0.884 161 D CB 1.559 42.362 40.800 0.005 0.000 1.262 161 D HN 0.843 nan 8.370 nan 0.000 0.552 162 E N 3.636 123.456 120.200 -0.634 0.000 2.472 162 E HA -0.141 4.212 4.350 0.006 0.000 0.200 162 E C 0.857 177.241 176.600 -0.361 0.000 1.046 162 E CA 0.431 56.589 56.400 -0.403 0.000 0.871 162 E CB 0.050 29.689 29.700 -0.101 0.000 0.806 162 E HN 0.455 nan 8.360 nan 0.000 0.533 163 R N -0.551 119.630 120.500 -0.532 0.000 2.148 163 R HA 0.019 4.363 4.340 0.006 0.000 0.223 163 R C 1.305 177.033 176.300 -0.953 0.000 1.088 163 R CA 1.355 56.910 56.100 -0.909 0.000 0.985 163 R CB 0.040 29.402 30.300 -1.563 0.000 0.880 163 R HN 0.336 nan 8.270 nan 0.000 0.451 164 W N -0.746 120.449 121.300 -0.175 0.000 2.661 164 W HA 0.320 4.983 4.660 0.006 0.000 0.288 164 W C 1.009 177.484 176.519 -0.073 0.000 1.014 164 W CA 0.441 57.719 57.345 -0.111 0.000 1.396 164 W CB -0.011 29.391 29.460 -0.096 0.000 0.963 164 W HN 0.222 nan 8.180 nan 0.000 0.584 165 G N 2.128 110.961 108.800 0.055 0.000 2.611 165 G HA2 -0.420 3.543 3.960 0.006 0.000 0.301 165 G HA3 -0.420 3.543 3.960 0.006 0.000 0.301 165 G C 0.752 175.774 174.900 0.204 0.000 1.233 165 G CA 2.092 47.287 45.100 0.159 0.000 0.993 165 G HN 0.139 nan 8.290 nan 0.000 0.553 166 T N -1.635 113.040 114.554 0.201 0.000 3.145 166 T HA 0.497 4.850 4.350 0.006 0.000 0.255 166 T C 2.019 176.787 174.700 0.112 0.000 1.039 166 T CA 1.058 63.254 62.100 0.159 0.000 0.928 166 T CB 0.668 69.629 68.868 0.155 0.000 1.029 166 T HN 1.561 nan 8.240 nan 0.000 0.554 167 G N 1.559 110.434 108.800 0.124 0.000 2.471 167 G HA2 0.081 4.045 3.960 0.006 0.000 0.219 167 G HA3 0.081 4.045 3.960 0.006 0.000 0.219 167 G C 0.419 175.363 174.900 0.072 0.000 1.125 167 G CA 0.080 45.239 45.100 0.099 0.000 0.775 167 G HN 0.498 nan 8.290 nan 0.000 0.548 168 K N -0.757 119.680 120.400 0.062 0.000 2.477 168 K HA 0.416 4.739 4.320 0.006 0.000 0.255 168 K C -0.897 175.698 176.600 -0.009 0.000 0.952 168 K CA -0.948 55.339 56.287 -0.000 0.000 0.826 168 K CB 2.359 34.819 32.500 -0.068 0.000 1.331 168 K HN -0.046 nan 8.250 nan 0.000 0.437 169 R N 2.868 123.353 120.500 -0.024 0.000 2.216 169 R HA 0.319 4.662 4.340 0.006 0.000 0.332 169 R C -1.042 175.234 176.300 -0.040 0.000 1.056 169 R CA -0.119 55.971 56.100 -0.017 0.000 0.901 169 R CB 0.154 30.445 30.300 -0.015 0.000 1.039 169 R HN 0.481 nan 8.270 nan 0.000 0.456 170 L N 3.790 124.994 121.223 -0.030 0.000 2.370 170 L HA 0.455 4.799 4.340 0.006 0.000 0.266 170 L C -0.446 176.422 176.870 -0.003 0.000 1.002 170 L CA -0.932 53.870 54.840 -0.063 0.000 0.818 170 L CB 2.433 44.410 42.059 -0.135 0.000 1.325 170 L HN 0.593 nan 8.230 nan 0.000 0.418 171 Q N 1.531 121.332 119.800 0.002 0.000 2.399 171 Q HA 0.435 4.778 4.340 0.006 0.000 0.276 171 Q C -1.309 174.718 176.000 0.046 0.000 1.098 171 Q CA -0.848 54.996 55.803 0.068 0.000 0.827 171 Q CB 2.883 31.683 28.738 0.102 0.000 1.386 171 Q HN 0.521 nan 8.270 nan 0.000 0.443 172 Q N 0.035 119.887 119.800 0.087 0.000 2.322 172 Q HA 0.719 5.062 4.340 0.006 0.000 0.265 172 Q C -1.291 174.737 176.000 0.045 0.000 0.985 172 Q CA -0.891 54.933 55.803 0.034 0.000 0.849 172 Q CB 1.589 30.318 28.738 -0.016 0.000 1.274 172 Q HN 0.558 nan 8.270 nan 0.000 0.449 173 A N 5.596 128.432 122.820 0.027 0.000 2.391 173 A HA 0.370 4.693 4.320 0.006 0.000 0.316 173 A C -0.163 177.392 177.584 -0.049 0.000 1.381 173 A CA -0.712 51.347 52.037 0.038 0.000 0.998 173 A CB 0.003 19.035 19.000 0.053 0.000 1.147 173 A HN 0.854 nan 8.150 nan 0.000 0.545 174 L N 4.254 125.439 121.223 -0.064 0.000 2.385 174 L HA 0.274 4.617 4.340 0.006 0.000 0.281 174 L C 0.088 176.858 176.870 -0.167 0.000 1.106 174 L CA -0.523 54.210 54.840 -0.179 0.000 0.856 174 L CB 0.439 42.364 42.059 -0.223 0.000 1.186 174 L HN 0.568 nan 8.230 nan 0.000 0.453 175 V N 1.246 120.922 119.914 -0.396 0.000 2.539 175 V HA 0.536 4.660 4.120 0.006 0.000 0.292 175 V C -0.642 175.121 176.094 -0.551 0.000 1.045 175 V CA -0.659 61.436 62.300 -0.342 0.000 0.945 175 V CB 1.012 32.579 31.823 -0.427 0.000 0.993 175 V HN 0.474 nan 8.190 nan 0.000 0.464 176 Y N 2.304 122.600 120.300 -0.008 0.000 2.638 176 Y HA 0.673 5.226 4.550 0.006 0.000 0.339 176 Y C -0.879 175.132 175.900 0.186 0.000 1.084 176 Y CA -0.919 57.204 58.100 0.039 0.000 1.068 176 Y CB 2.241 40.648 38.460 -0.088 0.000 1.294 176 Y HN 0.776 nan 8.280 nan 0.000 0.480 177 Y N 1.403 121.866 120.300 0.270 0.000 2.409 177 Y HA 0.686 5.240 4.550 0.006 0.000 0.343 177 Y C -1.089 174.956 175.900 0.243 0.000 0.973 177 Y CA -1.325 56.916 58.100 0.235 0.000 1.064 177 Y CB 1.302 39.877 38.460 0.192 0.000 1.207 177 Y HN 0.548 nan 8.280 nan 0.000 0.452 178 R N 3.140 123.315 120.500 -0.541 0.000 2.437 178 R HA 0.267 4.610 4.340 0.006 0.000 0.310 178 R C 0.705 176.320 176.300 -1.143 0.000 0.955 178 R CA -0.001 55.646 56.100 -0.755 0.000 0.851 178 R CB 1.750 31.698 30.300 -0.585 0.000 1.161 178 R HN 0.916 nan 8.270 nan 0.000 0.446 179 S N 0.644 115.690 115.700 -1.091 0.000 2.453 179 S HA -0.097 4.376 4.470 0.006 0.000 0.231 179 S C 0.429 174.805 174.600 -0.373 0.000 1.005 179 S CA 0.767 58.617 58.200 -0.584 0.000 0.949 179 S CB 0.028 63.071 63.200 -0.261 0.000 0.774 179 S HN 0.691 nan 8.310 nan 0.000 0.510 180 D N -0.237 119.905 120.400 -0.429 0.000 2.753 180 D HA 0.212 4.856 4.640 0.006 0.000 0.224 180 D C 0.676 176.816 176.300 -0.267 0.000 1.213 180 D CA -0.479 53.372 54.000 -0.249 0.000 0.833 180 D CB 1.405 42.088 40.800 -0.195 0.000 1.607 180 D HN 0.142 nan 8.370 nan 0.000 0.463 181 E N 1.315 121.428 120.200 -0.146 0.000 2.209 181 E HA -0.221 4.132 4.350 0.006 0.000 0.196 181 E C 0.140 176.604 176.600 -0.226 0.000 0.993 181 E CA 1.056 57.377 56.400 -0.131 0.000 0.819 181 E CB -0.003 29.686 29.700 -0.019 0.000 0.745 181 E HN 0.377 nan 8.360 nan 0.000 0.477 182 D N 1.198 121.464 120.400 -0.223 0.000 2.349 182 D HA 0.027 4.670 4.640 0.006 0.000 0.215 182 D C -0.249 175.881 176.300 -0.282 0.000 1.016 182 D CA 0.242 54.092 54.000 -0.251 0.000 0.870 182 D CB -0.132 40.538 40.800 -0.217 0.000 0.917 182 D HN 0.142 nan 8.370 nan 0.000 0.524 183 D N 0.194 120.372 120.400 -0.370 0.000 2.400 183 D HA -0.023 4.620 4.640 0.006 0.000 0.238 183 D C 0.214 176.275 176.300 -0.398 0.000 1.157 183 D CA 0.344 54.058 54.000 -0.477 0.000 0.889 183 D CB 0.772 41.140 40.800 -0.720 0.000 1.199 183 D HN -0.193 nan 8.370 nan 0.000 0.436 184 S N 0.443 115.929 115.700 -0.356 0.000 2.465 184 S HA 0.025 4.499 4.470 0.006 0.000 0.279 184 S C 1.205 175.772 174.600 -0.054 0.000 1.201 184 S CA -0.623 57.473 58.200 -0.173 0.000 1.053 184 S CB 0.474 63.608 63.200 -0.109 0.000 0.953 184 S HN 0.379 nan 8.310 nan 0.000 0.488 185 Q N 4.218 123.878 119.800 -0.234 0.000 2.436 185 Q HA -0.099 4.244 4.340 0.006 0.000 0.209 185 Q C 0.317 176.219 176.000 -0.162 0.000 0.965 185 Q CA 1.264 56.921 55.803 -0.243 0.000 0.910 185 Q CB -0.396 28.036 28.738 -0.509 0.000 0.980 185 Q HN 0.895 nan 8.270 nan 0.000 0.491 186 Y N 1.943 122.237 120.300 -0.011 0.000 2.616 186 Y HA -0.047 4.506 4.550 0.006 0.000 0.296 186 Y C 2.511 178.623 175.900 0.353 0.000 1.154 186 Y CA 1.062 59.204 58.100 0.069 0.000 1.325 186 Y CB 0.177 38.667 38.460 0.049 0.000 1.007 186 Y HN 0.337 nan 8.280 nan 0.000 0.542 187 S N -1.667 114.296 115.700 0.438 0.000 2.522 187 S HA -0.070 4.403 4.470 0.006 0.000 0.227 187 S C 0.238 174.891 174.600 0.087 0.000 0.986 187 S CA 0.549 58.953 58.200 0.340 0.000 0.929 187 S CB -0.401 62.908 63.200 0.181 0.000 0.769 187 S HN 0.462 nan 8.310 nan 0.000 0.529 188 H N 1.966 121.114 119.070 0.130 0.000 2.535 188 H HA 0.428 4.987 4.556 0.006 0.000 0.232 188 H C -2.836 172.602 175.328 0.185 0.000 1.405 188 H CA -1.879 54.238 56.048 0.115 0.000 1.224 188 H CB 0.562 30.372 29.762 0.080 0.000 1.763 188 H HN 0.340 nan 8.280 nan 0.000 0.529 189 P HA 0.008 nan 4.420 nan 0.000 0.271 189 P C 0.048 177.193 177.300 -0.257 0.000 1.218 189 P CA 0.043 63.009 63.100 -0.223 0.000 0.780 189 P CB 1.686 33.226 31.700 -0.267 0.000 0.901 190 L N 1.892 122.891 121.223 -0.373 0.000 2.400 190 L HA 0.260 4.603 4.340 0.006 0.000 0.264 190 L C 1.740 178.384 176.870 -0.377 0.000 1.061 190 L CA -0.492 54.147 54.840 -0.334 0.000 0.799 190 L CB 0.586 42.401 42.059 -0.407 0.000 1.240 190 L HN 0.370 nan 8.230 nan 0.000 0.461 191 D N -0.548 119.742 120.400 -0.184 0.000 2.348 191 D HA -0.021 4.623 4.640 0.006 0.000 0.211 191 D C 0.078 176.510 176.300 0.221 0.000 0.998 191 D CA 0.227 54.224 54.000 -0.004 0.000 0.873 191 D CB -0.019 40.816 40.800 0.059 0.000 0.925 191 D HN 0.248 nan 8.370 nan 0.000 0.524 192 F N -0.856 119.145 119.950 0.086 0.000 2.575 192 F HA 0.633 5.164 4.527 0.006 0.000 0.330 192 F C -0.711 175.112 175.800 0.039 0.000 1.056 192 F CA -2.062 55.978 58.000 0.067 0.000 0.964 192 F CB 1.392 40.405 39.000 0.021 0.000 1.258 192 F HN -0.138 nan 8.300 nan 0.000 0.484 193 C N 3.726 123.137 119.300 0.186 0.000 2.654 193 C HA 0.593 5.057 4.460 0.006 0.000 0.315 193 C C -2.821 172.267 174.990 0.163 0.000 1.054 193 C CA -2.067 56.984 59.018 0.055 0.000 1.419 193 C CB 0.026 27.752 27.740 -0.024 0.000 1.889 193 C HN 0.658 nan 8.230 nan 0.000 0.447 194 P HA 0.271 nan 4.420 nan 0.000 0.271 194 P C -0.618 176.733 177.300 0.085 0.000 1.216 194 P CA 0.045 63.235 63.100 0.150 0.000 0.776 194 P CB 0.398 32.189 31.700 0.152 0.000 0.881 195 I N 3.432 124.045 120.570 0.070 0.000 2.339 195 I HA 0.274 4.448 4.170 0.006 0.000 0.290 195 I C -0.094 175.975 176.117 -0.080 0.000 0.994 195 I CA -0.652 60.630 61.300 -0.030 0.000 1.191 195 I CB 1.239 39.168 38.000 -0.119 0.000 1.343 195 I HN 0.036 nan 8.210 nan 0.000 0.458 196 V N 5.077 124.944 119.914 -0.079 0.000 2.495 196 V HA 0.283 4.407 4.120 0.006 0.000 0.298 196 V C -0.039 175.998 176.094 -0.095 0.000 1.031 196 V CA -0.792 61.470 62.300 -0.063 0.000 0.871 196 V CB 2.300 34.118 31.823 -0.009 0.000 0.988 196 V HN 0.625 nan 8.190 nan 0.000 0.432 197 D N 3.158 123.498 120.400 -0.100 0.000 2.336 197 D HA 0.120 4.764 4.640 0.006 0.000 0.249 197 D C 1.212 177.483 176.300 -0.048 0.000 1.213 197 D CA 0.115 54.058 54.000 -0.094 0.000 0.870 197 D CB 1.781 42.524 40.800 -0.095 0.000 1.076 197 D HN 0.608 nan 8.370 nan 0.000 0.483 198 T N 3.335 117.868 114.554 -0.034 0.000 2.759 198 T HA -0.139 4.215 4.350 0.006 0.000 0.269 198 T C 1.356 176.048 174.700 -0.013 0.000 1.042 198 T CA 1.027 63.120 62.100 -0.011 0.000 1.140 198 T CB 0.246 69.114 68.868 -0.000 0.000 0.864 198 T HN 0.446 nan 8.240 nan 0.000 0.455 199 E N 0.712 120.899 120.200 -0.022 0.000 2.190 199 E HA 0.025 4.378 4.350 0.006 0.000 0.191 199 E C 2.177 178.764 176.600 -0.021 0.000 0.978 199 E CA 0.555 56.941 56.400 -0.023 0.000 0.839 199 E CB -0.039 29.643 29.700 -0.029 0.000 0.787 199 E HN 0.478 nan 8.360 nan 0.000 0.473 200 E N 0.852 121.037 120.200 -0.025 0.000 2.442 200 E HA 0.003 4.357 4.350 0.006 0.000 0.195 200 E C -0.075 176.516 176.600 -0.016 0.000 1.030 200 E CA 0.057 56.444 56.400 -0.021 0.000 0.869 200 E CB 0.083 29.768 29.700 -0.024 0.000 0.857 200 E HN 0.191 nan 8.360 nan 0.000 0.505 201 K N 1.163 121.554 120.400 -0.015 0.000 3.150 201 K HA -0.217 4.106 4.320 0.006 0.000 0.267 201 K C -0.081 176.513 176.600 -0.010 0.000 1.028 201 K CA 0.773 57.055 56.287 -0.009 0.000 0.753 201 K CB -1.650 30.848 32.500 -0.003 0.000 1.288 201 K HN 0.270 nan 8.250 nan 0.000 0.473 202 K N -1.817 118.573 120.400 -0.018 0.000 2.502 202 K HA 0.476 4.800 4.320 0.006 0.000 0.257 202 K C -0.502 176.082 176.600 -0.026 0.000 0.938 202 K CA -1.137 55.140 56.287 -0.017 0.000 0.819 202 K CB 1.919 34.410 32.500 -0.016 0.000 1.333 202 K HN -0.088 nan 8.250 nan 0.000 0.434 203 V N 4.258 124.163 119.914 -0.015 0.000 2.470 203 V HA 0.078 4.202 4.120 0.006 0.000 0.276 203 V C 1.293 177.378 176.094 -0.015 0.000 1.040 203 V CA -0.189 62.103 62.300 -0.014 0.000 1.008 203 V CB 0.324 32.148 31.823 0.002 0.000 0.990 203 V HN 0.871 nan 8.190 nan 0.000 0.477 204 I N 1.630 122.180 120.570 -0.034 0.000 3.854 204 I HA 0.515 4.689 4.170 0.006 0.000 0.312 204 I C 0.175 176.396 176.117 0.173 0.000 1.273 204 I CA 0.624 61.923 61.300 -0.001 0.000 1.298 204 I CB 0.447 38.364 38.000 -0.139 0.000 1.071 204 I HN 0.454 nan 8.210 nan 0.000 0.428 205 F N 0.994 120.920 119.950 -0.041 0.000 2.725 205 F HA 0.629 5.159 4.527 0.006 0.000 0.309 205 F C -1.851 173.989 175.800 0.066 0.000 1.132 205 F CA -1.075 56.966 58.000 0.068 0.000 0.957 205 F CB 1.796 40.929 39.000 0.220 0.000 1.286 205 F HN -0.239 nan 8.300 nan 0.000 0.440 206 I N 3.576 123.912 120.570 -0.390 0.000 2.478 206 I HA 0.279 4.452 4.170 0.006 0.000 0.287 206 I C -1.267 174.808 176.117 -0.070 0.000 1.042 206 I CA -0.863 60.377 61.300 -0.101 0.000 1.067 206 I CB 1.722 39.660 38.000 -0.103 0.000 1.233 206 I HN 0.346 nan 8.210 nan 0.000 0.431 207 D N 7.545 128.115 120.400 0.283 0.000 2.358 207 D HA 0.365 5.009 4.640 0.006 0.000 0.258 207 D C -0.243 176.198 176.300 0.235 0.000 1.223 207 D CA 0.499 54.713 54.000 0.356 0.000 0.886 207 D CB 1.307 42.329 40.800 0.371 0.000 1.120 207 D HN 0.308 nan 8.370 nan 0.000 0.482 208 I N 4.770 125.443 120.570 0.172 0.000 2.406 208 I HA 0.228 4.402 4.170 0.006 0.000 0.290 208 I C -1.901 174.301 176.117 0.141 0.000 0.999 208 I CA -1.887 59.496 61.300 0.139 0.000 1.124 208 I CB 2.076 40.092 38.000 0.027 0.000 1.289 208 I HN 0.109 nan 8.210 nan 0.000 0.441 209 P HA 0.235 nan 4.420 nan 0.000 0.276 209 P C -0.170 177.188 177.300 0.097 0.000 1.244 209 P CA -0.407 62.781 63.100 0.146 0.000 0.801 209 P CB 0.951 32.768 31.700 0.196 0.000 1.006 210 N N 0.474 119.221 118.700 0.078 0.000 2.166 210 N HA -0.111 4.632 4.740 0.006 0.000 0.186 210 N C 0.882 176.423 175.510 0.052 0.000 1.019 210 N CA 1.057 54.137 53.050 0.050 0.000 0.856 210 N CB 0.004 38.513 38.487 0.036 0.000 0.993 210 N HN 0.455 nan 8.380 nan 0.000 0.426 211 R N 1.605 122.148 120.500 0.072 0.000 2.229 211 R HA 0.168 4.511 4.340 0.006 0.000 0.332 211 R C -0.561 175.784 176.300 0.075 0.000 0.989 211 R CA -0.625 55.514 56.100 0.065 0.000 0.842 211 R CB 0.657 30.998 30.300 0.068 0.000 1.119 211 R HN -0.126 nan 8.270 nan 0.000 0.456 212 R N 3.070 123.602 120.500 0.054 0.000 2.539 212 R HA 0.230 4.574 4.340 0.006 0.000 0.275 212 R C -0.411 175.911 176.300 0.037 0.000 1.077 212 R CA -0.396 55.736 56.100 0.054 0.000 1.097 212 R CB 0.678 30.998 30.300 0.034 0.000 1.018 212 R HN 0.520 nan 8.270 nan 0.000 0.483 213 R N 1.312 121.830 120.500 0.029 0.000 2.473 213 R HA 0.285 4.628 4.340 0.006 0.000 0.303 213 R C -0.402 175.889 176.300 -0.016 0.000 1.002 213 R CA -0.436 55.659 56.100 -0.009 0.000 0.884 213 R CB 1.763 32.034 30.300 -0.049 0.000 1.173 213 R HN 0.377 nan 8.270 nan 0.000 0.464 214 K N 0.921 121.311 120.400 -0.018 0.000 2.180 214 K HA 0.210 4.533 4.320 0.006 0.000 0.251 214 K C 0.064 176.639 176.600 -0.043 0.000 1.014 214 K CA -0.614 55.660 56.287 -0.021 0.000 0.913 214 K CB 1.134 33.618 32.500 -0.026 0.000 1.008 214 K HN 0.206 nan 8.250 nan 0.000 0.490 215 V N 1.930 121.815 119.914 -0.049 0.000 2.720 215 V HA -0.095 4.029 4.120 0.006 0.000 0.307 215 V C 0.341 176.417 176.094 -0.030 0.000 1.071 215 V CA 0.496 62.764 62.300 -0.052 0.000 1.199 215 V CB 1.224 32.974 31.823 -0.121 0.000 0.900 215 V HN 0.852 nan 8.190 nan 0.000 0.494 216 S N 4.811 120.493 115.700 -0.029 0.000 2.552 216 S HA 0.092 4.566 4.470 0.006 0.000 0.289 216 S C 0.887 175.544 174.600 0.096 0.000 1.304 216 S CA 0.204 58.384 58.200 -0.034 0.000 1.063 216 S CB 0.364 63.404 63.200 -0.267 0.000 0.848 216 S HN 0.841 nan 8.310 nan 0.000 0.499 217 K N 2.593 122.985 120.400 -0.012 0.000 2.404 217 K HA 0.115 4.438 4.320 0.006 0.000 0.194 217 K C 0.394 176.994 176.600 -0.000 0.000 1.023 217 K CA -0.024 56.253 56.287 -0.018 0.000 1.094 217 K CB 0.059 32.488 32.500 -0.119 0.000 0.841 217 K HN 0.671 nan 8.250 nan 0.000 0.523 218 H N 1.682 120.853 119.070 0.168 0.000 2.679 218 H HA 0.094 4.654 4.556 0.006 0.000 0.369 218 H C 0.269 175.810 175.328 0.355 0.000 1.178 218 H CA 0.285 56.447 56.048 0.189 0.000 1.419 218 H CB 0.611 30.422 29.762 0.083 0.000 1.458 218 H HN -0.085 nan 8.280 nan 0.000 0.605 219 K N 1.211 121.869 120.400 0.431 0.000 2.380 219 K HA -0.017 4.306 4.320 0.006 0.000 0.267 219 K C -0.130 176.767 176.600 0.496 0.000 0.990 219 K CA 0.063 56.583 56.287 0.388 0.000 0.946 219 K CB 0.209 32.885 32.500 0.293 0.000 0.937 219 K HN 0.473 nan 8.250 nan 0.000 0.491 220 H N -0.019 119.177 119.070 0.211 0.000 2.790 220 H HA 0.083 4.643 4.556 0.006 0.000 0.358 220 H C -0.134 175.185 175.328 -0.015 0.000 1.103 220 H CA 0.283 56.402 56.048 0.117 0.000 1.426 220 H CB 0.714 30.390 29.762 -0.143 0.000 1.424 220 H HN 0.624 nan 8.280 nan 0.000 0.599 221 A N 4.296 127.035 122.820 -0.136 0.000 2.527 221 A HA 0.217 4.541 4.320 0.006 0.000 0.313 221 A C -0.067 177.356 177.584 -0.268 0.000 1.410 221 A CA -0.647 51.179 52.037 -0.351 0.000 1.060 221 A CB -0.473 18.047 19.000 -0.799 0.000 1.137 221 A HN 0.661 nan 8.150 nan 0.000 0.542 222 N N 0.897 119.456 118.700 -0.235 0.000 2.459 222 N HA 0.672 5.415 4.740 0.006 0.000 0.288 222 N C -0.089 175.340 175.510 -0.135 0.000 1.186 222 N CA -0.428 52.369 53.050 -0.421 0.000 0.917 222 N CB 1.315 39.226 38.487 -0.961 0.000 1.219 222 N HN 0.609 nan 8.380 nan 0.000 0.525 223 F N -2.406 117.545 119.950 0.002 0.000 2.974 223 F HA 0.433 4.964 4.527 0.006 0.000 0.357 223 F C -0.358 175.475 175.800 0.055 0.000 1.114 223 F CA -0.739 57.267 58.000 0.010 0.000 1.099 223 F CB -0.202 38.722 39.000 -0.127 0.000 1.205 223 F HN 0.203 nan 8.300 nan 0.000 0.535 224 Y N 2.819 123.257 120.300 0.230 0.000 2.379 224 Y HA 0.281 4.835 4.550 0.006 0.000 0.337 224 Y C -1.126 174.804 175.900 0.050 0.000 1.238 224 Y CA -1.449 56.734 58.100 0.138 0.000 1.405 224 Y CB 0.291 38.733 38.460 -0.030 0.000 1.310 224 Y HN -0.223 nan 8.280 nan 0.000 0.569 225 P HA -0.286 nan 4.420 nan 0.000 0.216 225 P C 1.106 178.414 177.300 0.014 0.000 1.154 225 P CA 2.556 65.696 63.100 0.066 0.000 0.865 225 P CB 0.097 31.828 31.700 0.051 0.000 0.789 226 K N -0.870 119.484 120.400 -0.077 0.000 2.147 226 K HA -0.208 4.115 4.320 0.006 0.000 0.205 226 K C 1.687 178.214 176.600 -0.121 0.000 1.049 226 K CA 1.703 57.900 56.287 -0.150 0.000 0.936 226 K CB -1.148 31.200 32.500 -0.252 0.000 0.722 226 K HN 0.271 nan 8.250 nan 0.000 0.446 227 H N -0.006 119.085 119.070 0.036 0.000 2.363 227 H HA 0.071 4.630 4.556 0.006 0.000 0.301 227 H C 2.143 177.495 175.328 0.040 0.000 1.074 227 H CA 1.349 57.411 56.048 0.024 0.000 1.354 227 H CB 0.072 29.837 29.762 0.006 0.000 1.397 227 H HN 0.076 nan 8.280 nan 0.000 0.516 228 M N 0.227 119.927 119.600 0.167 0.000 2.175 228 M HA -0.093 4.391 4.480 0.006 0.000 0.264 228 M C 2.284 178.632 176.300 0.079 0.000 1.063 228 M CA 1.208 56.577 55.300 0.114 0.000 1.119 228 M CB -0.657 32.001 32.600 0.097 0.000 1.377 228 M HN 0.301 nan 8.290 nan 0.000 0.415 229 I N 0.123 120.728 120.570 0.059 0.000 2.208 229 I HA -0.305 3.869 4.170 0.006 0.000 0.245 229 I C 2.239 178.385 176.117 0.048 0.000 1.097 229 I CA 1.372 62.697 61.300 0.041 0.000 1.363 229 I CB -0.356 37.657 38.000 0.022 0.000 1.051 229 I HN 0.385 nan 8.210 nan 0.000 0.413 230 E N 0.378 120.614 120.200 0.060 0.000 2.106 230 E HA -0.250 4.103 4.350 0.006 0.000 0.192 230 E C 2.119 178.764 176.600 0.074 0.000 0.984 230 E CA 0.999 57.438 56.400 0.065 0.000 0.806 230 E CB 0.011 29.758 29.700 0.078 0.000 0.750 230 E HN 0.385 nan 8.360 nan 0.000 0.458 231 K N 0.732 121.185 120.400 0.088 0.000 2.067 231 K HA -0.067 4.257 4.320 0.006 0.000 0.203 231 K C 1.868 178.513 176.600 0.075 0.000 1.048 231 K CA 1.234 57.576 56.287 0.091 0.000 0.954 231 K CB 0.458 33.022 32.500 0.107 0.000 0.737 231 K HN 0.116 nan 8.250 nan 0.000 0.444 232 V N -3.950 116.004 119.914 0.066 0.000 3.528 232 V HA 0.489 4.612 4.120 0.006 0.000 0.294 232 V C 0.836 176.957 176.094 0.044 0.000 1.404 232 V CA 0.434 62.767 62.300 0.055 0.000 1.065 232 V CB 0.401 32.255 31.823 0.053 0.000 0.904 232 V HN 0.464 nan 8.190 nan 0.000 0.435 233 G N 0.046 108.871 108.800 0.043 0.000 2.349 233 G HA2 0.222 4.186 3.960 0.006 0.000 0.213 233 G HA3 0.222 4.186 3.960 0.006 0.000 0.213 233 G C 0.336 175.253 174.900 0.029 0.000 1.044 233 G CA -0.017 45.104 45.100 0.034 0.000 0.633 233 G HN 2.098 nan 8.290 nan 0.000 0.506 234 A N -0.151 122.687 122.820 0.030 0.000 2.590 234 A HA 0.698 5.021 4.320 0.006 0.000 0.294 234 A C -0.339 177.261 177.584 0.026 0.000 1.046 234 A CA -0.109 51.943 52.037 0.025 0.000 0.684 234 A CB 0.631 19.643 19.000 0.020 0.000 1.279 234 A HN 0.632 nan 8.150 nan 0.000 0.415 235 M N 1.310 120.923 119.600 0.023 0.000 2.226 235 M HA 0.289 4.772 4.480 0.006 0.000 0.324 235 M C 0.848 177.158 176.300 0.017 0.000 1.112 235 M CA 0.187 55.500 55.300 0.022 0.000 1.176 235 M CB 0.041 32.653 32.600 0.019 0.000 1.430 235 M HN 0.771 nan 8.290 nan 0.000 0.462 236 R N 1.205 121.714 120.500 0.015 0.000 2.679 236 R HA 0.203 4.547 4.340 0.006 0.000 0.268 236 R C -1.986 174.320 176.300 0.009 0.000 1.044 236 R CA -1.204 54.903 56.100 0.011 0.000 1.105 236 R CB -0.570 29.735 30.300 0.009 0.000 0.989 236 R HN 0.396 nan 8.270 nan 0.000 0.447 237 P HA -0.069 nan 4.420 nan 0.000 0.268 237 P C -0.654 176.649 177.300 0.006 0.000 1.208 237 P CA -0.079 63.025 63.100 0.007 0.000 0.777 237 P CB 0.454 32.158 31.700 0.006 0.000 0.875 238 E N 1.303 121.506 120.200 0.006 0.000 2.417 238 E HA 0.288 4.641 4.350 0.006 0.000 0.261 238 E C -0.247 176.355 176.600 0.004 0.000 1.000 238 E CA -0.130 56.273 56.400 0.005 0.000 0.919 238 E CB 0.016 29.719 29.700 0.005 0.000 0.955 238 E HN 0.481 nan 8.360 nan 0.000 0.455 239 A N 5.574 128.395 122.820 0.002 0.000 2.406 239 A HA 0.367 4.691 4.320 0.006 0.000 0.243 239 A C -2.008 175.578 177.584 0.002 0.000 1.082 239 A CA -1.167 50.871 52.037 0.002 0.000 0.786 239 A CB -0.313 18.688 19.000 0.000 0.000 1.029 239 A HN 0.639 nan 8.150 nan 0.000 0.495 240 P HA 0.250 nan 4.420 nan 0.000 0.268 240 P C -2.294 175.008 177.300 0.003 0.000 1.205 240 P CA -0.619 62.482 63.100 0.003 0.000 0.771 240 P CB -0.207 31.495 31.700 0.003 0.000 0.858 241 P HA 0.227 nan 4.420 nan 0.000 0.271 241 P C -0.651 176.652 177.300 0.005 0.000 1.218 241 P CA 0.124 63.227 63.100 0.005 0.000 0.780 241 P CB 0.794 32.498 31.700 0.006 0.000 0.901 242 I N 2.797 123.370 120.570 0.006 0.000 2.328 242 I HA 0.218 4.391 4.170 0.006 0.000 0.287 242 I C 0.203 176.327 176.117 0.010 0.000 1.012 242 I CA -0.588 60.716 61.300 0.007 0.000 1.195 242 I CB 0.730 38.733 38.000 0.005 0.000 1.350 242 I HN 0.162 nan 8.210 nan 0.000 0.464 243 N N 5.929 124.636 118.700 0.012 0.000 2.438 243 N HA 0.430 5.173 4.740 0.006 0.000 0.282 243 N C -0.791 174.731 175.510 0.019 0.000 1.037 243 N CA -0.368 52.691 53.050 0.015 0.000 0.942 243 N CB 2.659 41.154 38.487 0.014 0.000 1.136 243 N HN 0.175 nan 8.380 nan 0.000 0.481 244 V N 1.724 121.652 119.914 0.024 0.000 2.378 244 V HA 0.509 4.633 4.120 0.006 0.000 0.288 244 V C 0.064 176.178 176.094 0.035 0.000 1.016 244 V CA -0.613 61.707 62.300 0.033 0.000 0.840 244 V CB 1.300 33.148 31.823 0.042 0.000 0.994 244 V HN 0.819 nan 8.190 nan 0.000 0.431 245 T N 1.871 116.446 114.554 0.034 0.000 2.900 245 T HA 0.639 4.992 4.350 0.006 0.000 0.295 245 T C -0.722 173.999 174.700 0.035 0.000 1.044 245 T CA -0.825 61.294 62.100 0.032 0.000 0.995 245 T CB 2.259 71.141 68.868 0.023 0.000 1.072 245 T HN 0.514 nan 8.240 nan 0.000 0.473 246 Q N 1.778 121.598 119.800 0.033 0.000 2.907 246 Q HA 0.245 4.589 4.340 0.006 0.000 0.262 246 Q C -1.809 174.201 176.000 0.016 0.000 0.997 246 Q CA -1.977 53.844 55.803 0.030 0.000 0.797 246 Q CB 1.530 30.290 28.738 0.037 0.000 1.228 246 Q HN 0.583 nan 8.270 nan 0.000 0.466 247 P HA -0.165 nan 4.420 nan 0.000 0.221 247 P C 0.126 177.428 177.300 0.003 0.000 1.145 247 P CA 1.169 64.274 63.100 0.009 0.000 0.795 247 P CB 0.454 32.160 31.700 0.010 0.000 0.775 248 E N -0.320 119.881 120.200 0.002 0.000 2.499 248 E HA 0.357 4.710 4.350 0.006 0.000 0.199 248 E C 0.902 177.491 176.600 -0.017 0.000 1.016 248 E CA -0.031 56.366 56.400 -0.005 0.000 0.933 248 E CB 0.173 29.872 29.700 -0.001 0.000 1.050 248 E HN 0.191 nan 8.360 nan 0.000 0.462 249 G N 1.055 109.842 108.800 -0.022 0.000 2.681 249 G HA2 -0.257 3.706 3.960 0.006 0.000 0.220 249 G HA3 -0.257 3.706 3.960 0.006 0.000 0.220 249 G C -0.049 174.812 174.900 -0.066 0.000 1.353 249 G CA -0.428 44.641 45.100 -0.051 0.000 0.872 249 G HN 0.410 nan 8.290 nan 0.000 0.557 250 V N -2.663 117.157 119.914 -0.157 0.000 2.975 250 V HA 0.866 4.990 4.120 0.006 0.000 0.318 250 V C 1.464 177.455 176.094 -0.172 0.000 1.077 250 V CA 0.862 63.036 62.300 -0.210 0.000 1.000 250 V CB 1.507 32.975 31.823 -0.593 0.000 1.066 250 V HN 2.322 nan 8.190 nan 0.000 0.452 251 S N 1.538 117.238 115.700 -0.001 0.000 2.524 251 S HA 0.192 4.665 4.470 0.006 0.000 0.216 251 S C 0.541 175.252 174.600 0.185 0.000 0.987 251 S CA -0.007 58.249 58.200 0.094 0.000 0.909 251 S CB -0.735 62.571 63.200 0.176 0.000 0.781 251 S HN 1.018 nan 8.310 nan 0.000 0.521 252 F N 1.182 121.280 119.950 0.246 0.000 2.370 252 F HA 0.740 5.270 4.527 0.006 0.000 0.324 252 F C -0.076 175.760 175.800 0.060 0.000 1.116 252 F CA -1.160 56.965 58.000 0.208 0.000 1.123 252 F CB 0.727 39.826 39.000 0.165 0.000 1.238 252 F HN -0.106 nan 8.300 nan 0.000 0.536 253 K N 3.739 124.285 120.400 0.243 0.000 2.471 253 K HA 0.446 4.770 4.320 0.006 0.000 0.252 253 K C -1.570 175.077 176.600 0.078 0.000 0.938 253 K CA -0.746 55.596 56.287 0.091 0.000 0.796 253 K CB 1.402 33.923 32.500 0.035 0.000 1.161 253 K HN 0.863 nan 8.250 nan 0.000 0.425 254 M N 2.898 122.524 119.600 0.042 0.000 2.268 254 M HA 0.264 4.747 4.480 0.006 0.000 0.344 254 M C -0.698 175.589 176.300 -0.023 0.000 1.106 254 M CA -0.660 54.603 55.300 -0.062 0.000 1.010 254 M CB 1.997 34.474 32.600 -0.204 0.000 1.649 254 M HN 0.462 nan 8.290 nan 0.000 0.443 255 T N 2.567 117.101 114.554 -0.034 0.000 2.963 255 T HA 0.516 4.869 4.350 0.006 0.000 0.343 255 T C 0.780 175.492 174.700 0.019 0.000 1.146 255 T CA 0.236 62.344 62.100 0.014 0.000 1.016 255 T CB 1.057 69.944 68.868 0.031 0.000 1.046 255 T HN 1.062 nan 8.240 nan 0.000 0.496 256 G N 4.821 113.642 108.800 0.035 0.000 2.629 256 G HA2 -0.367 3.596 3.960 0.006 0.000 0.313 256 G HA3 -0.367 3.596 3.960 0.006 0.000 0.313 256 G C 0.791 175.665 174.900 -0.043 0.000 1.217 256 G CA 0.584 45.706 45.100 0.036 0.000 0.994 256 G HN 0.614 nan 8.290 nan 0.000 0.549 257 N N 0.180 118.819 118.700 -0.102 0.000 2.322 257 N HA 0.364 5.107 4.740 0.006 0.000 0.194 257 N C 0.130 175.390 175.510 -0.416 0.000 1.126 257 N CA 0.522 53.389 53.050 -0.304 0.000 0.845 257 N CB 0.761 38.957 38.487 -0.486 0.000 0.976 257 N HN 0.433 nan 8.380 nan 0.000 0.475 258 V N 1.829 121.601 119.914 -0.236 0.000 2.432 258 V HA 0.290 4.413 4.120 0.006 0.000 0.275 258 V C 0.033 175.944 176.094 -0.306 0.000 1.043 258 V CA -0.674 61.492 62.300 -0.223 0.000 0.925 258 V CB 1.107 32.919 31.823 -0.018 0.000 0.985 258 V HN 0.164 nan 8.190 nan 0.000 0.466 259 M N 5.233 124.499 119.600 -0.557 0.000 2.300 259 M HA 0.508 4.991 4.480 0.006 0.000 0.348 259 M C -0.524 175.499 176.300 -0.462 0.000 1.151 259 M CA 0.187 55.098 55.300 -0.649 0.000 1.046 259 M CB 1.166 32.991 32.600 -1.291 0.000 1.647 259 M HN 0.659 nan 8.290 nan 0.000 0.451 260 E N 3.854 123.949 120.200 -0.176 0.000 2.218 260 E HA 0.495 4.849 4.350 0.006 0.000 0.263 260 E C -2.179 174.521 176.600 0.167 0.000 0.879 260 E CA -0.293 56.095 56.400 -0.020 0.000 0.762 260 E CB 1.701 31.396 29.700 -0.008 0.000 1.166 260 E HN 0.767 nan 8.360 nan 0.000 0.415 261 W N 2.635 123.939 121.300 0.008 0.000 3.615 261 W HA 0.195 4.858 4.660 0.006 0.000 0.319 261 W C -0.303 176.311 176.519 0.157 0.000 1.172 261 W CA -0.443 56.961 57.345 0.098 0.000 1.240 261 W CB 1.458 30.980 29.460 0.103 0.000 1.313 261 W HN 0.462 nan 8.180 nan 0.000 0.487 262 S N 5.041 120.340 115.700 -0.668 0.000 3.559 262 S HA -0.328 4.146 4.470 0.006 0.000 0.369 262 S C 0.846 175.161 174.600 -0.474 0.000 0.987 262 S CA 1.969 59.716 58.200 -0.755 0.000 1.187 262 S CB -1.388 60.921 63.200 -1.485 0.000 0.914 262 S HN 1.054 nan 8.310 nan 0.000 0.480 263 N N -2.452 115.991 118.700 -0.429 0.000 2.967 263 N HA -0.180 4.564 4.740 0.006 0.000 0.218 263 N C -0.098 175.055 175.510 -0.595 0.000 0.870 263 N CA 1.776 54.426 53.050 -0.667 0.000 1.030 263 N CB -1.599 36.145 38.487 -1.239 0.000 1.027 263 N HN 0.577 nan 8.380 nan 0.000 0.603 264 F N 1.677 121.546 119.950 -0.135 0.000 2.471 264 F HA 0.356 4.886 4.527 0.006 0.000 0.353 264 F C 1.039 176.898 175.800 0.097 0.000 1.113 264 F CA 0.395 58.480 58.000 0.142 0.000 1.262 264 F CB 0.735 39.978 39.000 0.404 0.000 1.146 264 F HN -0.143 nan 8.300 nan 0.000 0.578 265 K N 4.050 124.677 120.400 0.378 0.000 2.468 265 K HA 0.647 4.971 4.320 0.006 0.000 0.252 265 K C -1.732 175.059 176.600 0.320 0.000 0.932 265 K CA -0.536 55.858 56.287 0.178 0.000 0.794 265 K CB 1.623 34.181 32.500 0.098 0.000 1.241 265 K HN 0.518 nan 8.250 nan 0.000 0.428 266 F N -0.453 119.510 119.950 0.022 0.000 2.741 266 F HA 0.374 4.904 4.527 0.006 0.000 0.311 266 F C -1.536 174.254 175.800 -0.016 0.000 1.149 266 F CA -1.176 56.835 58.000 0.019 0.000 0.930 266 F CB 0.936 39.917 39.000 -0.031 0.000 1.312 266 F HN 0.442 nan 8.300 nan 0.000 0.450 267 H N 2.586 121.711 119.070 0.092 0.000 2.488 267 H HA 0.544 5.104 4.556 0.006 0.000 0.322 267 H C -1.133 174.189 175.328 -0.010 0.000 1.078 267 H CA -0.588 55.400 56.048 -0.101 0.000 1.260 267 H CB 1.470 31.088 29.762 -0.240 0.000 1.425 267 H HN 0.738 nan 8.280 nan 0.000 0.471 268 I N 5.457 125.716 120.570 -0.519 0.000 2.291 268 I HA 0.223 4.397 4.170 0.006 0.000 0.290 268 I C 0.990 176.893 176.117 -0.356 0.000 1.050 268 I CA -0.259 60.878 61.300 -0.272 0.000 1.245 268 I CB 1.019 38.901 38.000 -0.197 0.000 1.405 268 I HN 0.544 nan 8.210 nan 0.000 0.478 269 G N 5.304 114.082 108.800 -0.036 0.000 2.601 269 G HA2 0.727 4.690 3.960 0.006 0.000 0.317 269 G HA3 0.727 4.690 3.960 0.006 0.000 0.317 269 G C -1.594 173.421 174.900 0.192 0.000 1.246 269 G CA -0.348 44.832 45.100 0.134 0.000 1.012 269 G HN 0.372 nan 8.290 nan 0.000 0.494 270 F N 0.506 120.475 119.950 0.031 0.000 2.650 270 F HA 0.479 5.010 4.527 0.006 0.000 0.310 270 F C -0.913 174.948 175.800 0.101 0.000 1.112 270 F CA -0.861 57.166 58.000 0.044 0.000 0.986 270 F CB 2.194 41.218 39.000 0.040 0.000 1.285 270 F HN 0.822 nan 8.300 nan 0.000 0.440 271 N N 1.664 120.177 118.700 -0.311 0.000 2.853 271 N HA 0.242 4.986 4.740 0.006 0.000 0.258 271 N C 0.011 175.391 175.510 -0.216 0.000 1.444 271 N CA -0.520 52.517 53.050 -0.021 0.000 0.837 271 N CB 0.304 38.827 38.487 0.060 0.000 1.489 271 N HN 0.489 nan 8.380 nan 0.000 0.529 272 Y N -1.625 118.522 120.300 -0.254 0.000 2.403 272 Y HA 0.158 4.711 4.550 0.006 0.000 0.291 272 Y C 2.022 177.456 175.900 -0.776 0.000 1.143 272 Y CA 1.153 58.751 58.100 -0.837 0.000 1.257 272 Y CB -0.273 37.369 38.460 -1.363 0.000 0.984 272 Y HN 0.656 nan 8.280 nan 0.000 0.550 273 R N 0.241 119.959 120.500 -1.304 0.000 2.125 273 R HA 0.136 4.479 4.340 0.006 0.000 0.195 273 R C 1.871 177.734 176.300 -0.728 0.000 1.138 273 R CA 0.764 56.125 56.100 -1.232 0.000 1.123 273 R CB 0.037 29.313 30.300 -1.707 0.000 1.049 273 R HN 0.307 nan 8.270 nan 0.000 0.503 274 E N 0.043 119.910 120.200 -0.554 0.000 2.358 274 E HA 0.117 4.470 4.350 0.006 0.000 0.195 274 E C 0.833 177.197 176.600 -0.394 0.000 1.010 274 E CA 0.491 56.684 56.400 -0.345 0.000 0.856 274 E CB 0.359 29.947 29.700 -0.188 0.000 0.795 274 E HN 0.564 nan 8.360 nan 0.000 0.504 275 G N 1.786 110.190 108.800 -0.661 0.000 2.536 275 G HA2 -0.350 3.613 3.960 0.006 0.000 0.280 275 G HA3 -0.350 3.613 3.960 0.006 0.000 0.280 275 G C 0.128 174.551 174.900 -0.796 0.000 1.152 275 G CA -0.097 44.412 45.100 -0.985 0.000 0.970 275 G HN 0.200 nan 8.290 nan 0.000 0.549 276 I N 1.140 121.613 120.570 -0.162 0.000 2.683 276 I HA 0.346 4.520 4.170 0.006 0.000 0.286 276 I C 0.344 176.337 176.117 -0.206 0.000 1.175 276 I CA 0.065 61.380 61.300 0.025 0.000 1.429 276 I CB 0.879 38.965 38.000 0.143 0.000 1.371 276 I HN 0.329 nan 8.210 nan 0.000 0.569 277 V N 7.903 127.700 119.914 -0.195 0.000 2.483 277 V HA 0.387 4.510 4.120 0.006 0.000 0.297 277 V C -0.148 175.794 176.094 -0.253 0.000 1.027 277 V CA -0.576 61.566 62.300 -0.263 0.000 0.855 277 V CB 1.742 33.469 31.823 -0.161 0.000 0.995 277 V HN 0.439 nan 8.190 nan 0.000 0.424 278 L N 4.154 125.142 121.223 -0.393 0.000 2.282 278 L HA 0.696 5.039 4.340 0.006 0.000 0.288 278 L C 0.129 176.899 176.870 -0.167 0.000 1.033 278 L CA 0.078 54.766 54.840 -0.252 0.000 0.807 278 L CB 1.709 43.525 42.059 -0.405 0.000 1.209 278 L HN 0.610 nan 8.230 nan 0.000 0.423 279 S N 0.709 116.391 115.700 -0.029 0.000 2.599 279 S HA 0.335 4.809 4.470 0.006 0.000 0.294 279 S C -0.481 174.137 174.600 0.031 0.000 1.094 279 S CA -0.541 57.586 58.200 -0.123 0.000 0.931 279 S CB 1.787 64.827 63.200 -0.267 0.000 1.093 279 S HN 0.757 nan 8.310 nan 0.000 0.488 280 D N 0.937 121.325 120.400 -0.021 0.000 2.705 280 D HA -0.144 4.500 4.640 0.006 0.000 0.240 280 D C -0.711 175.739 176.300 0.250 0.000 1.137 280 D CA 0.374 54.486 54.000 0.186 0.000 0.677 280 D CB -1.233 39.755 40.800 0.313 0.000 1.049 280 D HN 0.238 nan 8.370 nan 0.000 0.427 281 V N 1.172 121.222 119.914 0.227 0.000 2.432 281 V HA 0.566 4.689 4.120 0.006 0.000 0.271 281 V C 0.933 177.169 176.094 0.235 0.000 1.046 281 V CA 0.322 62.795 62.300 0.287 0.000 0.945 281 V CB 1.393 33.367 31.823 0.253 0.000 0.992 281 V HN 0.474 nan 8.190 nan 0.000 0.471 282 S N 4.543 120.426 115.700 0.306 0.000 2.667 282 S HA 0.786 5.259 4.470 0.006 0.000 0.292 282 S C -1.315 173.474 174.600 0.315 0.000 1.126 282 S CA -0.798 57.551 58.200 0.249 0.000 0.881 282 S CB 2.072 65.385 63.200 0.188 0.000 1.132 282 S HN 0.587 nan 8.310 nan 0.000 0.492 283 Y N 1.423 121.796 120.300 0.120 0.000 2.373 283 Y HA 0.517 5.071 4.550 0.006 0.000 0.336 283 Y C -0.661 175.278 175.900 0.064 0.000 0.979 283 Y CA -0.715 57.400 58.100 0.025 0.000 1.080 283 Y CB 1.619 40.088 38.460 0.014 0.000 1.190 283 Y HN 0.848 nan 8.280 nan 0.000 0.446 284 N N 4.761 123.224 118.700 -0.394 0.000 2.439 284 N HA 0.038 4.781 4.740 0.006 0.000 0.243 284 N C -1.263 174.166 175.510 -0.135 0.000 1.088 284 N CA 0.047 52.977 53.050 -0.200 0.000 0.940 284 N CB 0.334 38.678 38.487 -0.238 0.000 1.180 284 N HN 0.663 nan 8.380 nan 0.000 0.505 285 D N 2.594 123.109 120.400 0.192 0.000 2.522 285 D HA 0.101 4.745 4.640 0.006 0.000 0.218 285 D C -0.377 176.003 176.300 0.134 0.000 1.149 285 D CA -0.133 54.041 54.000 0.289 0.000 0.981 285 D CB -0.697 40.359 40.800 0.426 0.000 1.041 285 D HN 0.586 nan 8.370 nan 0.000 0.518 286 H N 1.535 120.659 119.070 0.089 0.000 2.626 286 H HA -0.203 4.356 4.556 0.006 0.000 0.317 286 H C 1.416 176.755 175.328 0.019 0.000 1.140 286 H CA 1.016 57.085 56.048 0.034 0.000 1.134 286 H CB -1.065 28.718 29.762 0.035 0.000 1.486 286 H HN 0.664 nan 8.280 nan 0.000 0.417 287 G N -0.618 108.215 108.800 0.056 0.000 2.232 287 G HA2 -0.336 3.628 3.960 0.006 0.000 0.226 287 G HA3 -0.336 3.628 3.960 0.006 0.000 0.226 287 G C 0.129 175.048 174.900 0.032 0.000 0.996 287 G CA -0.049 45.072 45.100 0.035 0.000 0.626 287 G HN 0.642 nan 8.290 nan 0.000 0.509 288 N N 1.127 119.861 118.700 0.056 0.000 2.469 288 N HA 0.456 5.199 4.740 0.006 0.000 0.239 288 N C 0.050 175.600 175.510 0.067 0.000 1.053 288 N CA -0.120 52.959 53.050 0.049 0.000 0.937 288 N CB 1.088 39.605 38.487 0.050 0.000 1.163 288 N HN 0.172 nan 8.380 nan 0.000 0.509 289 V N 5.362 125.305 119.914 0.047 0.000 2.405 289 V HA 0.264 4.387 4.120 0.006 0.000 0.264 289 V C 0.558 176.706 176.094 0.090 0.000 1.048 289 V CA -0.243 62.095 62.300 0.064 0.000 0.966 289 V CB -0.080 31.765 31.823 0.036 0.000 1.015 289 V HN 0.488 nan 8.190 nan 0.000 0.477 290 R N 6.085 126.680 120.500 0.159 0.000 2.343 290 R HA 0.436 4.780 4.340 0.006 0.000 0.320 290 R C -2.733 173.692 176.300 0.209 0.000 0.956 290 R CA -1.860 54.344 56.100 0.173 0.000 0.836 290 R CB 1.671 32.097 30.300 0.209 0.000 1.151 290 R HN 0.409 nan 8.270 nan 0.000 0.450 291 P HA 0.092 nan 4.420 nan 0.000 0.271 291 P C -0.090 177.243 177.300 0.056 0.000 1.218 291 P CA 0.130 63.296 63.100 0.110 0.000 0.780 291 P CB 0.858 32.611 31.700 0.089 0.000 0.901 292 I N -0.047 120.457 120.570 -0.110 0.000 3.623 292 I HA 0.203 4.377 4.170 0.006 0.000 0.253 292 I C -0.016 175.736 176.117 -0.608 0.000 1.144 292 I CA 0.497 61.470 61.300 -0.545 0.000 1.461 292 I CB 0.214 37.631 38.000 -0.972 0.000 1.575 292 I HN 0.118 nan 8.210 nan 0.000 0.445 293 F N 0.071 119.975 119.950 -0.077 0.000 2.551 293 F HA 0.355 4.886 4.527 0.005 0.000 0.316 293 F C 1.066 176.871 175.800 0.009 0.000 1.089 293 F CA -0.993 56.964 58.000 -0.071 0.000 0.915 293 F CB 0.827 39.742 39.000 -0.143 0.000 1.186 293 F HN -0.032 nan 8.300 nan 0.000 0.456 294 H N 1.898 121.049 119.070 0.136 0.000 2.403 294 H HA 0.237 4.797 4.556 0.006 0.000 0.298 294 H C 0.122 175.449 175.328 -0.003 0.000 1.059 294 H CA 1.074 57.152 56.048 0.050 0.000 1.363 294 H CB 0.529 30.280 29.762 -0.019 0.000 1.410 294 H HN 0.567 nan 8.280 nan 0.000 0.528 295 R N 0.354 120.783 120.500 -0.117 0.000 2.579 295 R HA 0.371 4.715 4.340 0.006 0.000 0.260 295 R C -2.134 174.013 176.300 -0.255 0.000 1.103 295 R CA -0.483 55.470 56.100 -0.245 0.000 0.942 295 R CB 1.802 31.951 30.300 -0.252 0.000 1.251 295 R HN 0.224 nan 8.270 nan 0.000 0.450 296 I N 2.722 123.091 120.570 -0.335 0.000 2.656 296 I HA 0.612 4.786 4.170 0.006 0.000 0.292 296 I C -1.485 174.347 176.117 -0.474 0.000 1.144 296 I CA -0.107 60.941 61.300 -0.421 0.000 1.038 296 I CB 2.101 39.782 38.000 -0.533 0.000 1.244 296 I HN 0.901 nan 8.210 nan 0.000 0.420 297 S N 6.217 121.745 115.700 -0.285 0.000 2.636 297 S HA 0.533 5.006 4.470 0.006 0.000 0.266 297 S C -1.563 173.124 174.600 0.145 0.000 1.147 297 S CA -1.055 57.048 58.200 -0.161 0.000 0.815 297 S CB 1.082 64.175 63.200 -0.179 0.000 1.119 297 S HN 0.591 nan 8.310 nan 0.000 0.470 298 L N 2.644 124.025 121.223 0.264 0.000 2.276 298 L HA 0.486 4.830 4.340 0.006 0.000 0.286 298 L C 1.300 178.211 176.870 0.068 0.000 1.061 298 L CA -0.109 54.853 54.840 0.204 0.000 0.807 298 L CB 1.656 43.867 42.059 0.254 0.000 1.177 298 L HN 1.042 nan 8.230 nan 0.000 0.429 299 S N 0.639 116.361 115.700 0.037 0.000 2.505 299 S HA 0.218 4.692 4.470 0.006 0.000 0.216 299 S C 0.292 174.884 174.600 -0.012 0.000 1.018 299 S CA -0.220 58.025 58.200 0.074 0.000 0.911 299 S CB 0.560 63.856 63.200 0.161 0.000 0.818 299 S HN 0.641 nan 8.310 nan 0.000 0.497 300 E N -0.539 119.538 120.200 -0.205 0.000 2.409 300 E HA 0.664 5.018 4.350 0.006 0.000 0.280 300 E C -1.768 174.644 176.600 -0.313 0.000 1.079 300 E CA -0.412 55.810 56.400 -0.296 0.000 0.840 300 E CB 1.361 30.782 29.700 -0.466 0.000 1.309 300 E HN 0.331 nan 8.360 nan 0.000 0.447 301 M N 1.568 121.101 119.600 -0.111 0.000 2.631 301 M HA 0.647 5.130 4.480 0.006 0.000 0.288 301 M C -1.155 175.288 176.300 0.238 0.000 1.260 301 M CA -0.948 54.322 55.300 -0.050 0.000 0.842 301 M CB 2.507 34.934 32.600 -0.288 0.000 1.743 301 M HN 0.589 nan 8.290 nan 0.000 0.461 302 I N 0.642 121.319 120.570 0.179 0.000 2.692 302 I HA 0.507 4.681 4.170 0.006 0.000 0.293 302 I C -1.587 174.527 176.117 -0.004 0.000 1.200 302 I CA -0.673 60.690 61.300 0.106 0.000 1.036 302 I CB 2.090 40.135 38.000 0.075 0.000 1.258 302 I HN 0.422 nan 8.210 nan 0.000 0.421 303 V N 8.262 128.207 119.914 0.050 0.000 2.271 303 V HA 0.340 4.463 4.120 0.006 0.000 0.259 303 V C -2.342 173.813 176.094 0.102 0.000 1.030 303 V CA -1.210 61.089 62.300 -0.002 0.000 0.957 303 V CB 0.579 32.422 31.823 0.033 0.000 1.186 303 V HN 0.526 nan 8.190 nan 0.000 0.471 304 P HA 0.253 nan 4.420 nan 0.000 0.282 304 P C -0.781 176.543 177.300 0.040 0.000 1.262 304 P CA -0.105 63.065 63.100 0.118 0.000 0.773 304 P CB 0.763 32.459 31.700 -0.008 0.000 0.879 305 Y N 1.027 121.382 120.300 0.091 0.000 2.301 305 Y HA 0.403 4.956 4.550 0.006 0.000 0.328 305 Y C 2.006 177.897 175.900 -0.014 0.000 1.242 305 Y CA 0.221 58.364 58.100 0.071 0.000 1.323 305 Y CB 0.849 39.351 38.460 0.070 0.000 1.266 305 Y HN 0.471 nan 8.280 nan 0.000 0.527 306 G N 0.279 109.132 108.800 0.087 0.000 3.575 306 G HA2 0.018 3.982 3.960 0.006 0.000 0.273 306 G HA3 0.018 3.982 3.960 0.006 0.000 0.273 306 G C -0.188 174.645 174.900 -0.112 0.000 1.053 306 G CA -0.164 44.940 45.100 0.006 0.000 0.803 306 G HN 0.436 nan 8.290 nan 0.000 0.528 307 S N 1.412 116.981 115.700 -0.218 0.000 2.475 307 S HA 0.455 4.928 4.470 0.006 0.000 0.281 307 S C -0.954 173.360 174.600 -0.477 0.000 1.198 307 S CA -1.366 56.545 58.200 -0.482 0.000 1.063 307 S CB 1.797 64.561 63.200 -0.726 0.000 0.972 307 S HN 0.083 nan 8.310 nan 0.000 0.486 308 P HA 0.109 nan 4.420 nan 0.000 0.245 308 P C -0.273 176.888 177.300 -0.232 0.000 1.206 308 P CA 0.160 62.998 63.100 -0.436 0.000 0.781 308 P CB 0.126 31.503 31.700 -0.540 0.000 0.994 309 E N 0.029 120.126 120.200 -0.172 0.000 2.354 309 E HA 0.179 4.533 4.350 0.006 0.000 0.269 309 E C -0.451 176.067 176.600 -0.137 0.000 1.036 309 E CA -0.774 55.599 56.400 -0.045 0.000 0.876 309 E CB 0.485 30.229 29.700 0.073 0.000 1.009 309 E HN 0.040 nan 8.360 nan 0.000 0.416 310 F N 4.564 124.375 119.950 -0.233 0.000 2.471 310 F HA 0.138 4.668 4.527 0.006 0.000 0.353 310 F C -1.435 174.063 175.800 -0.504 0.000 1.113 310 F CA -1.753 56.077 58.000 -0.284 0.000 1.262 310 F CB 0.890 39.794 39.000 -0.160 0.000 1.146 310 F HN 0.320 nan 8.300 nan 0.000 0.578 311 P HA 0.081 nan 4.420 nan 0.000 0.254 311 P C 0.175 176.992 177.300 -0.805 0.000 1.620 311 P CA 0.268 62.533 63.100 -1.392 0.000 1.050 311 P CB -0.164 30.868 31.700 -1.114 0.000 1.539 312 H N 0.755 119.553 119.070 -0.452 0.000 2.546 312 H HA -0.063 4.496 4.556 0.006 0.000 0.277 312 H C 2.083 177.263 175.328 -0.246 0.000 1.004 312 H CA 0.866 56.692 56.048 -0.369 0.000 1.231 312 H CB -0.217 29.313 29.762 -0.386 0.000 1.382 312 H HN 0.394 nan 8.280 nan 0.000 0.580 313 Q N 1.840 121.547 119.800 -0.155 0.000 2.364 313 Q HA -0.148 4.196 4.340 0.006 0.000 0.209 313 Q C 1.328 177.388 176.000 0.100 0.000 0.977 313 Q CA 0.986 56.761 55.803 -0.047 0.000 0.885 313 Q CB -0.343 28.350 28.738 -0.075 0.000 0.941 313 Q HN 0.412 nan 8.270 nan 0.000 0.464 314 R N 0.805 121.289 120.500 -0.025 0.000 2.313 314 R HA 0.167 4.511 4.340 0.006 0.000 0.199 314 R C 0.148 176.445 176.300 -0.005 0.000 0.958 314 R CA 0.099 56.210 56.100 0.019 0.000 1.047 314 R CB 0.256 30.491 30.300 -0.107 0.000 0.955 314 R HN 0.142 nan 8.270 nan 0.000 0.481 315 K N 2.189 122.619 120.400 0.051 0.000 2.244 315 K HA 0.086 4.409 4.320 0.006 0.000 0.263 315 K C -0.384 176.480 176.600 0.440 0.000 1.103 315 K CA -0.088 56.259 56.287 0.100 0.000 0.966 315 K CB 0.458 32.747 32.500 -0.351 0.000 1.429 315 K HN 0.305 nan 8.250 nan 0.000 0.434 316 H N 0.268 119.568 119.070 0.384 0.000 2.927 316 H HA 0.193 4.753 4.556 0.006 0.000 0.213 316 H C -0.821 174.651 175.328 0.241 0.000 1.363 316 H CA -0.716 55.501 56.048 0.282 0.000 1.369 316 H CB -0.518 29.326 29.762 0.137 0.000 2.040 316 H HN 0.374 nan 8.280 nan 0.000 0.544 317 A N 2.159 125.122 122.820 0.238 0.000 2.548 317 A HA 0.297 4.620 4.320 0.006 0.000 0.247 317 A C 0.223 177.876 177.584 0.115 0.000 1.067 317 A CA -0.259 51.846 52.037 0.114 0.000 0.757 317 A CB 0.055 19.037 19.000 -0.031 0.000 0.996 317 A HN 0.487 nan 8.150 nan 0.000 0.504 318 L N 3.695 124.970 121.223 0.087 0.000 2.352 318 L HA 0.198 4.542 4.340 0.006 0.000 0.272 318 L C 0.753 177.637 176.870 0.024 0.000 1.109 318 L CA 0.014 54.905 54.840 0.085 0.000 0.952 318 L CB 0.502 42.634 42.059 0.122 0.000 1.314 318 L HN 0.719 nan 8.230 nan 0.000 0.427 319 D N 1.476 121.913 120.400 0.062 0.000 2.149 319 D HA -0.183 4.460 4.640 0.006 0.000 0.198 319 D C 2.035 178.342 176.300 0.011 0.000 0.990 319 D CA 1.588 55.690 54.000 0.170 0.000 0.839 319 D CB 0.359 41.271 40.800 0.187 0.000 0.948 319 D HN 0.499 nan 8.370 nan 0.000 0.460 320 I N 0.803 121.296 120.570 -0.129 0.000 2.163 320 I HA -0.147 4.027 4.170 0.006 0.000 0.240 320 I C 2.545 178.480 176.117 -0.303 0.000 1.081 320 I CA 1.371 62.507 61.300 -0.273 0.000 1.353 320 I CB -0.325 37.517 38.000 -0.263 0.000 1.054 320 I HN -0.000 nan 8.210 nan 0.000 0.407 321 G N -0.283 108.375 108.800 -0.237 0.000 2.511 321 G HA2 -0.115 3.849 3.960 0.006 0.000 0.217 321 G HA3 -0.115 3.849 3.960 0.006 0.000 0.217 321 G C 1.450 176.216 174.900 -0.224 0.000 1.133 321 G CA 0.263 45.208 45.100 -0.258 0.000 0.792 321 G HN 0.405 nan 8.290 nan 0.000 0.539 322 E N -1.468 118.561 120.200 -0.284 0.000 2.389 322 E HA 0.140 4.494 4.350 0.006 0.000 0.199 322 E C 0.960 177.078 176.600 -0.803 0.000 0.978 322 E CA 0.293 56.374 56.400 -0.531 0.000 0.912 322 E CB 0.347 29.641 29.700 -0.676 0.000 0.907 322 E HN 0.598 nan 8.360 nan 0.000 0.494 323 Y N -0.500 119.780 120.300 -0.034 0.000 2.731 323 Y HA 0.351 4.905 4.550 0.006 0.000 0.269 323 Y C 0.771 176.675 175.900 0.007 0.000 1.156 323 Y CA 0.201 58.307 58.100 0.011 0.000 1.191 323 Y CB 1.130 39.588 38.460 -0.004 0.000 1.382 323 Y HN -0.036 nan 8.280 nan 0.000 0.477 324 G N 0.709 109.482 108.800 -0.044 0.000 3.355 324 G HA2 0.169 4.133 3.960 0.006 0.000 0.686 324 G HA3 0.169 4.133 3.960 0.006 0.000 0.686 324 G C 0.475 175.116 174.900 -0.433 0.000 1.097 324 G CA -0.364 44.551 45.100 -0.309 0.000 0.881 324 G HN 0.637 nan 8.290 nan 0.000 0.550 325 A N 1.105 123.489 122.820 -0.728 0.000 2.121 325 A HA 0.391 4.714 4.320 0.006 0.000 0.218 325 A C 2.460 179.789 177.584 -0.425 0.000 1.154 325 A CA 2.380 53.793 52.037 -1.040 0.000 0.679 325 A CB -0.261 18.116 19.000 -1.038 0.000 0.795 325 A HN 2.112 nan 8.150 nan 0.000 0.458 326 G N -1.571 106.994 108.800 -0.391 0.000 2.471 326 G HA2 -0.014 3.949 3.960 0.006 0.000 0.211 326 G HA3 -0.014 3.949 3.960 0.006 0.000 0.211 326 G C 1.345 176.319 174.900 0.123 0.000 1.194 326 G CA 0.675 45.738 45.100 -0.061 0.000 0.816 326 G HN 0.377 nan 8.290 nan 0.000 0.545 327 Y N 0.736 120.840 120.300 -0.327 0.000 2.241 327 Y HA 0.005 4.559 4.550 0.006 0.000 0.286 327 Y C 2.785 178.711 175.900 0.044 0.000 1.166 327 Y CA 0.724 58.649 58.100 -0.292 0.000 1.203 327 Y CB -0.311 38.019 38.460 -0.217 0.000 0.977 327 Y HN 0.133 nan 8.280 nan 0.000 0.529 328 M N -1.196 118.545 119.600 0.234 0.000 2.495 328 M HA 0.014 4.497 4.480 0.006 0.000 0.237 328 M C 0.758 177.267 176.300 0.347 0.000 1.131 328 M CA 0.176 55.641 55.300 0.275 0.000 1.032 328 M CB 0.034 32.822 32.600 0.312 0.000 1.513 328 M HN -0.109 nan 8.290 nan 0.000 0.488 329 T N 1.827 116.607 114.554 0.377 0.000 2.919 329 T HA 0.107 4.461 4.350 0.006 0.000 0.302 329 T C 0.133 175.008 174.700 0.292 0.000 1.031 329 T CA -0.197 62.145 62.100 0.403 0.000 1.127 329 T CB 0.353 69.530 68.868 0.515 0.000 0.952 329 T HN 0.192 nan 8.240 nan 0.000 0.540 330 N N 4.865 123.703 118.700 0.231 0.000 2.514 330 N HA 0.328 5.071 4.740 0.006 0.000 0.277 330 N C -2.565 173.008 175.510 0.105 0.000 1.126 330 N CA -1.755 51.384 53.050 0.149 0.000 0.978 330 N CB 0.906 39.462 38.487 0.114 0.000 1.106 330 N HN 0.397 nan 8.380 nan 0.000 0.461 331 P HA 0.126 nan 4.420 nan 0.000 0.276 331 P C -0.376 176.922 177.300 -0.003 0.000 1.264 331 P CA -0.056 63.049 63.100 0.009 0.000 0.769 331 P CB 0.367 32.064 31.700 -0.006 0.000 0.840 332 L N 2.899 124.114 121.223 -0.015 0.000 2.361 332 L HA 0.167 4.511 4.340 0.006 0.000 0.278 332 L C 1.120 177.954 176.870 -0.060 0.000 1.113 332 L CA -0.309 54.542 54.840 0.019 0.000 0.849 332 L CB 0.205 42.349 42.059 0.140 0.000 1.155 332 L HN 0.400 nan 8.230 nan 0.000 0.452 333 S N 4.307 119.996 115.700 -0.019 0.000 2.528 333 S HA 0.417 4.891 4.470 0.006 0.000 0.277 333 S C -0.076 174.512 174.600 -0.021 0.000 1.297 333 S CA -0.939 57.237 58.200 -0.040 0.000 1.052 333 S CB 0.528 63.723 63.200 -0.008 0.000 0.917 333 S HN 0.432 nan 8.310 nan 0.000 0.492 334 L N 3.305 124.492 121.223 -0.061 0.000 2.499 334 L HA 0.360 4.703 4.340 0.006 0.000 0.273 334 L C 1.699 178.595 176.870 0.043 0.000 1.195 334 L CA 0.520 55.359 54.840 -0.001 0.000 0.882 334 L CB -0.661 41.373 42.059 -0.042 0.000 1.133 334 L HN 1.159 nan 8.230 nan 0.000 0.483 335 G N 1.568 110.417 108.800 0.082 0.000 2.189 335 G HA2 -0.301 3.663 3.960 0.006 0.000 0.267 335 G HA3 -0.301 3.663 3.960 0.006 0.000 0.267 335 G C 0.693 175.613 174.900 0.033 0.000 0.975 335 G CA 0.442 45.571 45.100 0.048 0.000 0.644 335 G HN 0.752 nan 8.290 nan 0.000 0.537 336 C N -0.850 118.472 119.300 0.038 0.000 2.463 336 C HA 0.252 4.715 4.460 0.006 0.000 0.322 336 C C 2.283 177.293 174.990 0.033 0.000 1.556 336 C CA 1.047 60.081 59.018 0.027 0.000 2.225 336 C CB -0.533 27.220 27.740 0.021 0.000 1.995 336 C HN 0.501 nan 8.230 nan 0.000 0.678 337 D N 0.390 120.819 120.400 0.049 0.000 2.144 337 D HA -0.063 4.580 4.640 0.006 0.000 0.199 337 D C 0.259 176.597 176.300 0.063 0.000 0.984 337 D CA 1.196 55.233 54.000 0.063 0.000 0.834 337 D CB 0.010 40.857 40.800 0.079 0.000 0.955 337 D HN 0.458 nan 8.370 nan 0.000 0.465 338 C N 1.271 120.595 119.300 0.039 0.000 2.364 338 C HA 0.460 4.924 4.460 0.006 0.000 0.324 338 C C 0.129 175.057 174.990 -0.104 0.000 1.234 338 C CA -1.402 57.569 59.018 -0.080 0.000 1.417 338 C CB 1.782 29.420 27.740 -0.171 0.000 2.101 338 C HN 0.028 nan 8.230 nan 0.000 0.466 339 K N 2.115 122.441 120.400 -0.122 0.000 2.159 339 K HA 0.679 5.002 4.320 0.006 0.000 0.266 339 K C 0.551 177.114 176.600 -0.063 0.000 0.975 339 K CA 0.777 57.032 56.287 -0.054 0.000 0.865 339 K CB 1.036 33.534 32.500 -0.004 0.000 1.087 339 K HN 1.210 nan 8.250 nan 0.000 0.446 340 G N 0.863 109.655 108.800 -0.015 0.000 2.384 340 G HA2 -0.176 3.788 3.960 0.006 0.000 0.204 340 G HA3 -0.176 3.788 3.960 0.006 0.000 0.204 340 G C -1.345 173.568 174.900 0.021 0.000 1.237 340 G CA -0.610 44.506 45.100 0.027 0.000 1.060 340 G HN 0.478 nan 8.290 nan 0.000 0.514 341 V N 1.902 121.853 119.914 0.062 0.000 2.389 341 V HA 0.493 4.616 4.120 0.006 0.000 0.264 341 V C 0.425 176.569 176.094 0.084 0.000 1.049 341 V CA -0.317 62.021 62.300 0.064 0.000 0.932 341 V CB 0.730 32.592 31.823 0.064 0.000 1.011 341 V HN 0.578 nan 8.190 nan 0.000 0.475 342 I N 4.305 124.876 120.570 0.001 0.000 2.530 342 I HA 0.444 4.618 4.170 0.006 0.000 0.297 342 I C -0.165 175.894 176.117 -0.097 0.000 1.011 342 I CA -0.591 60.625 61.300 -0.141 0.000 1.107 342 I CB 1.711 39.384 38.000 -0.546 0.000 1.285 342 I HN 0.560 nan 8.210 nan 0.000 0.436 343 H N 5.903 124.898 119.070 -0.125 0.000 2.504 343 H HA 0.418 4.978 4.556 0.006 0.000 0.322 343 H C -1.626 173.573 175.328 -0.216 0.000 1.055 343 H CA -0.211 55.809 56.048 -0.047 0.000 1.231 343 H CB 0.963 30.810 29.762 0.143 0.000 1.417 343 H HN 0.373 nan 8.280 nan 0.000 0.472 344 Y N 3.885 124.184 120.300 -0.001 0.000 2.457 344 Y HA 0.362 4.916 4.550 0.006 0.000 0.333 344 Y C 0.046 175.959 175.900 0.022 0.000 1.119 344 Y CA -0.711 57.397 58.100 0.014 0.000 1.143 344 Y CB 1.626 40.055 38.460 -0.053 0.000 1.230 344 Y HN 0.398 nan 8.280 nan 0.000 0.469 345 L N 2.553 123.867 121.223 0.152 0.000 2.342 345 L HA 0.492 4.836 4.340 0.006 0.000 0.271 345 L C -0.983 175.813 176.870 -0.124 0.000 1.008 345 L CA -1.094 53.753 54.840 0.012 0.000 0.818 345 L CB 1.674 43.703 42.059 -0.050 0.000 1.296 345 L HN 0.537 nan 8.230 nan 0.000 0.427 346 D N 1.240 121.528 120.400 -0.187 0.000 2.253 346 D HA 0.598 5.241 4.640 0.006 0.000 0.249 346 D C -0.311 175.610 176.300 -0.633 0.000 1.049 346 D CA -0.145 53.640 54.000 -0.359 0.000 0.929 346 D CB 2.073 42.695 40.800 -0.296 0.000 1.176 346 D HN 0.568 nan 8.370 nan 0.000 0.437 347 A N 1.664 124.033 122.820 -0.752 0.000 2.337 347 A HA 0.587 4.911 4.320 0.006 0.000 0.329 347 A C -0.876 176.050 177.584 -1.096 0.000 1.146 347 A CA -0.649 50.888 52.037 -0.833 0.000 0.800 347 A CB 0.859 19.472 19.000 -0.646 0.000 1.220 347 A HN 0.570 nan 8.150 nan 0.000 0.472 348 H N 1.303 120.034 119.070 -0.565 0.000 2.667 348 H HA 0.643 5.202 4.556 0.006 0.000 0.353 348 H C -1.455 173.645 175.328 -0.379 0.000 1.072 348 H CA -0.221 55.570 56.048 -0.428 0.000 1.214 348 H CB 1.298 30.974 29.762 -0.144 0.000 1.600 348 H HN 0.540 nan 8.280 nan 0.000 0.527 349 F N -0.199 119.918 119.950 0.277 0.000 2.764 349 F HA 0.438 4.968 4.527 0.006 0.000 0.347 349 F C 0.679 176.586 175.800 0.179 0.000 1.151 349 F CA -1.084 57.078 58.000 0.270 0.000 1.021 349 F CB 1.108 40.365 39.000 0.429 0.000 1.438 349 F HN 0.312 nan 8.300 nan 0.000 0.516 350 S N 0.011 115.939 115.700 0.379 0.000 2.509 350 S HA 0.529 5.003 4.470 0.006 0.000 0.297 350 S C -1.026 173.672 174.600 0.163 0.000 1.118 350 S CA -0.757 57.547 58.200 0.174 0.000 1.074 350 S CB 0.512 63.747 63.200 0.058 0.000 1.038 350 S HN 0.612 nan 8.310 nan 0.000 0.498 351 D N 2.420 122.877 120.400 0.095 0.000 2.478 351 D HA 0.246 4.890 4.640 0.006 0.000 0.269 351 D C 1.158 177.513 176.300 0.092 0.000 1.232 351 D CA -0.635 53.406 54.000 0.069 0.000 1.059 351 D CB 0.250 41.084 40.800 0.057 0.000 1.104 351 D HN 0.543 nan 8.370 nan 0.000 0.566 352 R N -0.682 119.867 120.500 0.083 0.000 2.127 352 R HA -0.115 4.228 4.340 0.006 0.000 0.238 352 R C 1.798 178.218 176.300 0.200 0.000 1.134 352 R CA 1.545 57.719 56.100 0.124 0.000 0.975 352 R CB -0.536 29.801 30.300 0.061 0.000 0.865 352 R HN 0.555 nan 8.270 nan 0.000 0.447 353 A N -0.647 122.253 122.820 0.132 0.000 2.206 353 A HA 0.181 4.504 4.320 0.006 0.000 0.211 353 A C 1.367 179.005 177.584 0.090 0.000 1.158 353 A CA 0.822 52.936 52.037 0.128 0.000 0.761 353 A CB -0.175 18.863 19.000 0.064 0.000 0.801 353 A HN 0.570 nan 8.150 nan 0.000 0.473 354 G N -0.517 108.268 108.800 -0.026 0.000 2.141 354 G HA2 -0.180 3.783 3.960 0.006 0.000 0.242 354 G HA3 -0.180 3.783 3.960 0.006 0.000 0.242 354 G C -0.521 174.224 174.900 -0.259 0.000 0.982 354 G CA 0.156 44.978 45.100 -0.463 0.000 0.662 354 G HN 0.479 nan 8.290 nan 0.000 0.527 355 D N 1.199 121.539 120.400 -0.099 0.000 2.210 355 D HA 0.492 5.135 4.640 0.006 0.000 0.249 355 D C -2.302 173.987 176.300 -0.017 0.000 1.078 355 D CA -1.431 52.536 54.000 -0.054 0.000 0.875 355 D CB 1.455 42.246 40.800 -0.015 0.000 1.175 355 D HN 0.060 nan 8.370 nan 0.000 0.440 356 P HA 0.159 nan 4.420 nan 0.000 0.268 356 P C -0.314 177.025 177.300 0.066 0.000 1.204 356 P CA -0.104 63.015 63.100 0.032 0.000 0.768 356 P CB 0.439 32.136 31.700 -0.006 0.000 0.842 357 I N -1.208 119.437 120.570 0.124 0.000 2.740 357 I HA 0.699 4.872 4.170 0.006 0.000 0.303 357 I C -0.736 175.450 176.117 0.114 0.000 1.044 357 I CA -0.697 60.680 61.300 0.129 0.000 1.064 357 I CB 2.532 40.631 38.000 0.166 0.000 1.249 357 I HN 0.042 nan 8.210 nan 0.000 0.433 358 T N 3.659 118.263 114.554 0.084 0.000 2.841 358 T HA 0.517 4.870 4.350 0.006 0.000 0.283 358 T C -0.507 174.174 174.700 -0.032 0.000 1.000 358 T CA -0.481 61.631 62.100 0.019 0.000 0.977 358 T CB 2.010 70.939 68.868 0.101 0.000 0.979 358 T HN 0.425 nan 8.240 nan 0.000 0.446 359 V N 4.774 124.601 119.914 -0.145 0.000 2.328 359 V HA 0.338 4.461 4.120 0.006 0.000 0.278 359 V C 0.258 176.265 176.094 -0.146 0.000 1.021 359 V CA -1.000 61.259 62.300 -0.067 0.000 0.838 359 V CB 0.996 32.841 31.823 0.037 0.000 0.999 359 V HN 0.659 nan 8.190 nan 0.000 0.447 360 K N 3.458 123.799 120.400 -0.098 0.000 2.350 360 K HA 0.224 4.548 4.320 0.006 0.000 0.279 360 K C 0.658 177.169 176.600 -0.148 0.000 1.027 360 K CA 0.111 56.323 56.287 -0.125 0.000 0.969 360 K CB 0.164 32.603 32.500 -0.101 0.000 0.954 360 K HN 0.815 nan 8.250 nan 0.000 0.474 361 N N 0.684 119.282 118.700 -0.169 0.000 2.738 361 N HA -0.264 4.480 4.740 0.006 0.000 0.249 361 N C 0.433 175.914 175.510 -0.049 0.000 1.047 361 N CA 0.421 53.373 53.050 -0.163 0.000 0.707 361 N CB -0.790 37.394 38.487 -0.505 0.000 0.937 361 N HN 0.728 nan 8.380 nan 0.000 0.545 362 A N -0.709 122.040 122.820 -0.118 0.000 1.968 362 A HA 0.174 4.498 4.320 0.006 0.000 0.217 362 A C 0.875 178.399 177.584 -0.100 0.000 1.169 362 A CA 1.105 53.051 52.037 -0.153 0.000 0.638 362 A CB 0.627 19.377 19.000 -0.417 0.000 0.812 362 A HN 0.179 nan 8.150 nan 0.000 0.446 363 V N -0.167 119.697 119.914 -0.084 0.000 2.604 363 V HA 0.421 4.545 4.120 0.006 0.000 0.305 363 V C -0.241 175.913 176.094 0.100 0.000 1.043 363 V CA -0.829 61.474 62.300 0.005 0.000 0.888 363 V CB 1.108 32.891 31.823 -0.066 0.000 0.995 363 V HN 0.563 nan 8.190 nan 0.000 0.429 364 C N 4.268 123.611 119.300 0.072 0.000 2.456 364 C HA 0.910 5.374 4.460 0.006 0.000 0.325 364 C C -0.616 174.369 174.990 -0.009 0.000 1.217 364 C CA -0.851 58.123 59.018 -0.074 0.000 1.687 364 C CB 0.185 27.837 27.740 -0.147 0.000 2.270 364 C HN 0.755 nan 8.230 nan 0.000 0.499 365 I N 5.374 125.901 120.570 -0.073 0.000 2.466 365 I HA 0.617 4.791 4.170 0.006 0.000 0.289 365 I C -0.304 175.795 176.117 -0.031 0.000 1.026 365 I CA 0.011 61.245 61.300 -0.110 0.000 1.078 365 I CB 1.550 39.383 38.000 -0.278 0.000 1.249 365 I HN 0.985 nan 8.210 nan 0.000 0.429 366 H N 4.423 123.328 119.070 -0.276 0.000 3.003 366 H HA 0.471 5.030 4.556 0.006 0.000 0.327 366 H C -1.912 173.336 175.328 -0.133 0.000 1.353 366 H CA -1.136 54.858 56.048 -0.090 0.000 1.142 366 H CB 1.329 31.089 29.762 -0.004 0.000 1.864 366 H HN 0.614 nan 8.280 nan 0.000 0.529 367 E N 1.337 121.544 120.200 0.012 0.000 2.202 367 E HA 0.596 4.949 4.350 0.006 0.000 0.272 367 E C -1.047 175.539 176.600 -0.023 0.000 0.951 367 E CA -0.863 55.478 56.400 -0.100 0.000 0.813 367 E CB 2.583 32.364 29.700 0.135 0.000 1.151 367 E HN 0.650 nan 8.360 nan 0.000 0.398 368 E N 1.526 121.687 120.200 -0.065 0.000 2.367 368 E HA 0.170 4.523 4.350 0.006 0.000 0.273 368 E C -1.538 175.084 176.600 0.037 0.000 0.903 368 E CA -0.997 55.405 56.400 0.002 0.000 0.764 368 E CB 2.017 31.687 29.700 -0.050 0.000 1.252 368 E HN 0.582 nan 8.360 nan 0.000 0.446 369 D N 0.545 120.973 120.400 0.047 0.000 2.443 369 D HA -0.008 4.635 4.640 0.006 0.000 0.239 369 D C -0.462 175.852 176.300 0.023 0.000 1.136 369 D CA 0.515 54.541 54.000 0.044 0.000 0.879 369 D CB 0.625 41.445 40.800 0.034 0.000 1.195 369 D HN 0.301 nan 8.370 nan 0.000 0.443 370 D N 2.283 122.700 120.400 0.028 0.000 2.804 370 D HA 0.310 4.954 4.640 0.006 0.000 0.308 370 D C 0.634 176.936 176.300 0.003 0.000 1.371 370 D CA 0.520 54.527 54.000 0.012 0.000 0.823 370 D CB -0.141 40.676 40.800 0.029 0.000 1.126 370 D HN 0.649 nan 8.370 nan 0.000 0.467 371 G N 0.390 109.188 108.800 -0.003 0.000 2.547 371 G HA2 -0.274 3.690 3.960 0.006 0.000 0.271 371 G HA3 -0.274 3.690 3.960 0.006 0.000 0.271 371 G C -0.286 174.599 174.900 -0.025 0.000 1.209 371 G CA -0.081 45.011 45.100 -0.013 0.000 0.959 371 G HN 0.309 nan 8.290 nan 0.000 0.563 372 L N 0.586 121.791 121.223 -0.031 0.000 2.326 372 L HA 0.451 4.794 4.340 0.006 0.000 0.278 372 L C 1.626 178.452 176.870 -0.074 0.000 1.092 372 L CA -0.710 54.095 54.840 -0.057 0.000 0.810 372 L CB 1.315 43.354 42.059 -0.033 0.000 1.153 372 L HN 0.559 nan 8.230 nan 0.000 0.439 373 L N 3.982 125.091 121.223 -0.190 0.000 2.145 373 L HA 0.278 4.621 4.340 0.006 0.000 0.201 373 L C -0.105 176.687 176.870 -0.130 0.000 1.075 373 L CA 1.289 55.990 54.840 -0.231 0.000 0.773 373 L CB 0.277 42.058 42.059 -0.463 0.000 0.936 373 L HN 0.573 nan 8.230 nan 0.000 0.451 374 F N -2.801 117.169 119.950 0.034 0.000 2.741 374 F HA 0.570 5.100 4.527 0.006 0.000 0.311 374 F C -0.755 175.074 175.800 0.047 0.000 1.149 374 F CA -1.397 56.624 58.000 0.035 0.000 0.930 374 F CB 0.909 39.926 39.000 0.029 0.000 1.312 374 F HN -0.265 nan 8.300 nan 0.000 0.450 375 K N 0.932 121.530 120.400 0.330 0.000 2.557 375 K HA 0.555 4.879 4.320 0.006 0.000 0.261 375 K C -2.505 174.251 176.600 0.260 0.000 0.932 375 K CA -0.815 55.614 56.287 0.238 0.000 0.829 375 K CB 2.250 34.819 32.500 0.115 0.000 1.358 375 K HN 1.031 nan 8.250 nan 0.000 0.430 376 H N 0.286 119.427 119.070 0.118 0.000 3.029 376 H HA 0.518 5.077 4.556 0.006 0.000 0.358 376 H C -1.836 173.550 175.328 0.096 0.000 1.129 376 H CA -0.228 55.871 56.048 0.085 0.000 1.230 376 H CB 1.994 31.798 29.762 0.070 0.000 1.827 376 H HN 0.508 nan 8.280 nan 0.000 0.530 377 S N 3.032 118.374 115.700 -0.596 0.000 2.568 377 S HA 0.236 4.709 4.470 0.006 0.000 0.293 377 S C -1.262 173.132 174.600 -0.344 0.000 1.089 377 S CA -0.906 57.111 58.200 -0.305 0.000 0.945 377 S CB 1.627 64.804 63.200 -0.038 0.000 1.077 377 S HN 0.683 nan 8.310 nan 0.000 0.485 378 D N 1.417 121.782 120.400 -0.059 0.000 2.274 378 D HA 0.250 4.893 4.640 0.006 0.000 0.239 378 D C 0.839 177.095 176.300 -0.075 0.000 1.104 378 D CA -0.936 53.017 54.000 -0.078 0.000 0.840 378 D CB 0.551 41.269 40.800 -0.137 0.000 1.100 378 D HN 0.457 nan 8.370 nan 0.000 0.477 379 F N 3.199 123.151 119.950 0.003 0.000 2.408 379 F HA 0.036 4.566 4.527 0.006 0.000 0.300 379 F C 1.779 177.378 175.800 -0.335 0.000 1.090 379 F CA 0.311 58.074 58.000 -0.394 0.000 1.427 379 F CB -0.255 38.657 39.000 -0.146 0.000 1.070 379 F HN 0.199 nan 8.300 nan 0.000 0.549 380 R N 0.954 121.018 120.500 -0.726 0.000 2.096 380 R HA -0.120 4.223 4.340 0.006 0.000 0.235 380 R C 0.512 176.683 176.300 -0.214 0.000 1.127 380 R CA 1.531 57.364 56.100 -0.446 0.000 0.968 380 R CB -0.613 29.392 30.300 -0.493 0.000 0.861 380 R HN 0.509 nan 8.270 nan 0.000 0.440 381 D N -0.858 119.416 120.400 -0.211 0.000 2.755 381 D HA 0.056 4.700 4.640 0.006 0.000 0.257 381 D C -0.596 175.616 176.300 -0.148 0.000 1.291 381 D CA -0.533 53.387 54.000 -0.133 0.000 0.836 381 D CB -0.216 40.535 40.800 -0.083 0.000 1.059 381 D HN -0.107 nan 8.370 nan 0.000 0.486 382 N N 0.629 119.164 118.700 -0.276 0.000 2.735 382 N HA -0.254 4.490 4.740 0.006 0.000 0.248 382 N C -0.562 174.788 175.510 -0.268 0.000 1.083 382 N CA 0.799 53.615 53.050 -0.390 0.000 0.703 382 N CB -1.435 36.957 38.487 -0.158 0.000 1.005 382 N HN 0.363 nan 8.380 nan 0.000 0.550 383 F N -4.448 115.509 119.950 0.011 0.000 2.884 383 F HA -0.314 4.217 4.527 0.006 0.000 0.294 383 F C 1.643 177.449 175.800 0.010 0.000 0.723 383 F CA 0.524 58.521 58.000 -0.005 0.000 1.294 383 F CB -2.000 37.003 39.000 0.005 0.000 1.551 383 F HN 0.313 nan 8.300 nan 0.000 0.363 384 A N -1.125 121.766 122.820 0.118 0.000 1.930 384 A HA -0.007 4.316 4.320 0.006 0.000 0.217 384 A C 1.451 179.105 177.584 0.117 0.000 1.175 384 A CA 1.830 53.933 52.037 0.111 0.000 0.627 384 A CB -0.434 18.600 19.000 0.056 0.000 0.815 384 A HN 0.340 nan 8.150 nan 0.000 0.443 385 T N 0.999 115.592 114.554 0.065 0.000 2.752 385 T HA 0.439 4.792 4.350 0.006 0.000 0.295 385 T C -0.271 174.474 174.700 0.075 0.000 0.923 385 T CA 0.572 62.699 62.100 0.045 0.000 1.112 385 T CB 0.285 69.151 68.868 -0.005 0.000 0.884 385 T HN 0.276 nan 8.240 nan 0.000 0.525 386 S N 3.313 119.071 115.700 0.097 0.000 2.542 386 S HA 0.644 5.117 4.470 0.006 0.000 0.276 386 S C -1.765 172.913 174.600 0.131 0.000 1.148 386 S CA -0.844 57.436 58.200 0.134 0.000 0.886 386 S CB 0.967 64.308 63.200 0.234 0.000 1.109 386 S HN 0.666 nan 8.310 nan 0.000 0.458 387 L N 4.691 125.999 121.223 0.142 0.000 2.410 387 L HA 0.896 5.239 4.340 0.006 0.000 0.270 387 L C -1.697 175.290 176.870 0.195 0.000 0.983 387 L CA -0.503 54.428 54.840 0.152 0.000 0.822 387 L CB 1.774 43.921 42.059 0.147 0.000 1.285 387 L HN 0.530 nan 8.230 nan 0.000 0.409 388 V N 2.497 122.520 119.914 0.182 0.000 2.577 388 V HA 0.605 4.728 4.120 0.006 0.000 0.303 388 V C -0.459 175.658 176.094 0.038 0.000 1.042 388 V CA -0.457 61.915 62.300 0.121 0.000 0.872 388 V CB 1.951 33.836 31.823 0.104 0.000 0.998 388 V HN 0.770 nan 8.190 nan 0.000 0.423 389 T N 4.495 118.972 114.554 -0.129 0.000 2.841 389 T HA 0.508 4.861 4.350 0.006 0.000 0.285 389 T C -0.180 174.327 174.700 -0.321 0.000 0.991 389 T CA -0.662 61.267 62.100 -0.286 0.000 0.966 389 T CB 1.328 69.847 68.868 -0.582 0.000 0.962 389 T HN 0.566 nan 8.240 nan 0.000 0.438 390 R N 1.415 121.812 120.500 -0.172 0.000 2.459 390 R HA 0.707 5.051 4.340 0.006 0.000 0.281 390 R C 0.031 176.263 176.300 -0.113 0.000 1.050 390 R CA -0.637 55.394 56.100 -0.116 0.000 1.055 390 R CB 0.941 31.214 30.300 -0.045 0.000 1.045 390 R HN 0.682 nan 8.270 nan 0.000 0.495 391 A N 1.619 124.400 122.820 -0.065 0.000 2.306 391 A HA 0.467 4.790 4.320 0.006 0.000 0.314 391 A C -0.373 177.256 177.584 0.076 0.000 1.164 391 A CA -0.342 51.694 52.037 -0.002 0.000 0.822 391 A CB 1.105 20.113 19.000 0.013 0.000 1.130 391 A HN 0.617 nan 8.150 nan 0.000 0.496 392 T N 2.061 116.719 114.554 0.173 0.000 2.856 392 T HA 0.562 4.915 4.350 0.006 0.000 0.283 392 T C -0.381 174.565 174.700 0.411 0.000 1.008 392 T CA -0.682 61.582 62.100 0.273 0.000 0.997 392 T CB 1.338 70.421 68.868 0.359 0.000 0.992 392 T HN 0.761 nan 8.240 nan 0.000 0.454 393 K N 1.513 122.039 120.400 0.210 0.000 2.259 393 K HA 0.777 5.100 4.320 0.006 0.000 0.249 393 K C -1.355 175.016 176.600 -0.382 0.000 0.942 393 K CA -1.091 55.217 56.287 0.035 0.000 0.816 393 K CB 1.744 34.233 32.500 -0.018 0.000 1.155 393 K HN 0.359 nan 8.250 nan 0.000 0.428 394 L N 2.457 123.168 121.223 -0.854 0.000 2.296 394 L HA 0.417 4.761 4.340 0.006 0.000 0.286 394 L C -1.449 175.150 176.870 -0.452 0.000 1.023 394 L CA -0.463 53.782 54.840 -0.992 0.000 0.812 394 L CB 1.784 42.856 42.059 -1.646 0.000 1.223 394 L HN 0.577 nan 8.230 nan 0.000 0.421 395 V N 5.734 125.390 119.914 -0.429 0.000 2.487 395 V HA 0.536 4.659 4.120 0.006 0.000 0.298 395 V C -0.613 175.440 176.094 -0.070 0.000 1.028 395 V CA -0.688 61.495 62.300 -0.195 0.000 0.860 395 V CB 1.887 33.547 31.823 -0.272 0.000 0.991 395 V HN 0.492 nan 8.190 nan 0.000 0.427 396 V N 4.441 124.424 119.914 0.115 0.000 2.378 396 V HA 0.746 4.870 4.120 0.006 0.000 0.288 396 V C -0.001 176.247 176.094 0.258 0.000 1.016 396 V CA -0.204 62.190 62.300 0.156 0.000 0.840 396 V CB 1.662 33.603 31.823 0.196 0.000 0.994 396 V HN 1.034 nan 8.190 nan 0.000 0.431 397 S N 4.339 120.152 115.700 0.189 0.000 2.588 397 S HA 0.926 5.399 4.470 0.006 0.000 0.275 397 S C -1.093 173.562 174.600 0.090 0.000 1.130 397 S CA -0.852 57.406 58.200 0.098 0.000 0.855 397 S CB 2.519 65.730 63.200 0.019 0.000 1.116 397 S HN 0.850 nan 8.310 nan 0.000 0.472 398 Q N 0.415 120.235 119.800 0.033 0.000 2.511 398 Q HA 0.775 5.118 4.340 0.006 0.000 0.289 398 Q C -1.737 174.294 176.000 0.052 0.000 1.021 398 Q CA -1.138 54.742 55.803 0.128 0.000 0.785 398 Q CB 1.536 30.470 28.738 0.326 0.000 1.472 398 Q HN 0.743 nan 8.270 nan 0.000 0.411 399 I N 2.181 122.826 120.570 0.124 0.000 2.499 399 I HA 0.521 4.695 4.170 0.006 0.000 0.288 399 I C -1.097 175.163 176.117 0.237 0.000 1.048 399 I CA -0.947 60.409 61.300 0.093 0.000 1.062 399 I CB 1.415 39.431 38.000 0.026 0.000 1.238 399 I HN 0.688 nan 8.210 nan 0.000 0.426 400 F N 2.940 122.976 119.950 0.144 0.000 2.538 400 F HA 0.808 5.339 4.527 0.006 0.000 0.325 400 F C -0.578 175.320 175.800 0.163 0.000 1.066 400 F CA -0.644 57.456 58.000 0.166 0.000 0.946 400 F CB 1.680 40.785 39.000 0.175 0.000 1.199 400 F HN 0.170 nan 8.300 nan 0.000 0.473 401 T N 2.695 117.415 114.554 0.277 0.000 2.791 401 T HA 0.679 5.033 4.350 0.006 0.000 0.288 401 T C -0.548 174.260 174.700 0.180 0.000 0.999 401 T CA -0.493 61.677 62.100 0.117 0.000 0.952 401 T CB 1.136 70.052 68.868 0.079 0.000 0.938 401 T HN 0.913 nan 8.240 nan 0.000 0.444 402 A N 2.925 125.815 122.820 0.115 0.000 2.412 402 A HA 0.781 5.105 4.320 0.006 0.000 0.334 402 A C 1.164 178.649 177.584 -0.165 0.000 1.419 402 A CA 0.044 52.059 52.037 -0.036 0.000 0.930 402 A CB -0.689 18.330 19.000 0.032 0.000 1.149 402 A HN 1.481 nan 8.150 nan 0.000 0.515 403 A N 2.684 125.415 122.820 -0.149 0.000 5.078 403 A HA -0.318 4.005 4.320 0.006 0.000 0.342 403 A C 1.069 178.662 177.584 0.015 0.000 1.749 403 A CA 1.819 53.835 52.037 -0.036 0.000 0.700 403 A CB -2.097 16.879 19.000 -0.039 0.000 1.446 403 A HN 1.548 nan 8.150 nan 0.000 0.395 407 Y N 1.277 121.273 120.300 -0.506 0.000 2.328 407 Y HA 0.436 4.989 4.550 0.006 0.000 0.333 407 Y C -0.366 175.332 175.900 -0.337 0.000 0.958 407 Y CA -0.876 56.943 58.100 -0.468 0.000 1.167 407 Y CB 1.158 39.169 38.460 -0.748 0.000 1.151 407 Y HN 0.458 nan 8.280 nan 0.000 0.470 408 C N 5.575 124.819 119.300 -0.094 0.000 2.285 408 C HA 0.610 5.074 4.460 0.006 0.000 0.335 408 C C 0.017 174.837 174.990 -0.283 0.000 1.267 408 C CA -1.166 57.746 59.018 -0.176 0.000 1.762 408 C CB -1.078 26.634 27.740 -0.046 0.000 2.365 408 C HN 0.645 nan 8.230 nan 0.000 0.527 409 L N 3.780 124.751 121.223 -0.420 0.000 2.333 409 L HA 0.520 4.863 4.340 0.006 0.000 0.280 409 L C -1.112 175.411 176.870 -0.578 0.000 1.004 409 L CA -0.444 54.182 54.840 -0.356 0.000 0.820 409 L CB 0.820 42.833 42.059 -0.077 0.000 1.247 409 L HN 0.622 nan 8.230 nan 0.000 0.416 410 Y N 0.868 121.012 120.300 -0.261 0.000 2.332 410 Y HA 0.320 4.874 4.550 0.006 0.000 0.326 410 Y C -0.880 174.821 175.900 -0.331 0.000 0.978 410 Y CA -0.628 57.367 58.100 -0.174 0.000 1.205 410 Y CB 1.285 39.670 38.460 -0.125 0.000 1.131 410 Y HN 0.466 nan 8.280 nan 0.000 0.462 411 W N 3.732 125.049 121.300 0.028 0.000 2.331 411 W HA 0.652 5.315 4.660 0.005 0.000 0.306 411 W C -0.963 175.489 176.519 -0.112 0.000 1.162 411 W CA -0.778 56.511 57.345 -0.093 0.000 1.232 411 W CB 1.168 30.578 29.460 -0.083 0.000 1.235 411 W HN 0.127 nan 8.180 nan 0.000 0.479 412 V N 5.160 125.025 119.914 -0.081 0.000 2.444 412 V HA 0.422 4.546 4.120 0.006 0.000 0.294 412 V C -0.572 175.350 176.094 -0.287 0.000 1.022 412 V CA -1.160 61.072 62.300 -0.114 0.000 0.850 412 V CB 0.668 32.423 31.823 -0.113 0.000 0.992 412 V HN 0.264 nan 8.190 nan 0.000 0.426 413 F N 4.549 124.365 119.950 -0.223 0.000 2.421 413 F HA 0.724 5.255 4.527 0.006 0.000 0.337 413 F C 0.356 176.245 175.800 0.148 0.000 1.105 413 F CA -0.420 57.467 58.000 -0.188 0.000 1.049 413 F CB 1.739 40.497 39.000 -0.403 0.000 1.139 413 F HN 0.275 nan 8.300 nan 0.000 0.479 414 M N 1.776 121.697 119.600 0.537 0.000 2.662 414 M HA 0.297 4.781 4.480 0.006 0.000 0.310 414 M C 0.511 177.209 176.300 0.663 0.000 1.204 414 M CA -0.560 55.070 55.300 0.549 0.000 0.891 414 M CB 2.287 35.055 32.600 0.279 0.000 1.732 414 M HN 0.594 nan 8.290 nan 0.000 0.467 415 Q N 0.595 120.662 119.800 0.446 0.000 2.472 415 Q HA -0.094 4.250 4.340 0.006 0.000 0.208 415 Q C 0.349 176.450 176.000 0.169 0.000 0.958 415 Q CA 0.663 56.617 55.803 0.251 0.000 0.932 415 Q CB 0.071 28.879 28.738 0.117 0.000 1.007 415 Q HN 0.642 nan 8.270 nan 0.000 0.508 416 D N -1.316 119.193 120.400 0.181 0.000 2.328 416 D HA 0.040 4.683 4.640 0.006 0.000 0.221 416 D C 1.139 177.460 176.300 0.035 0.000 1.072 416 D CA 0.719 54.764 54.000 0.075 0.000 0.850 416 D CB 0.253 41.109 40.800 0.093 0.000 0.922 416 D HN 0.219 nan 8.370 nan 0.000 0.516 417 G N -0.354 108.564 108.800 0.197 0.000 2.175 417 G HA2 -0.156 3.808 3.960 0.006 0.000 0.244 417 G HA3 -0.156 3.808 3.960 0.006 0.000 0.244 417 G C 0.517 175.735 174.900 0.530 0.000 0.982 417 G CA 0.133 45.398 45.100 0.275 0.000 0.641 417 G HN 0.806 nan 8.290 nan 0.000 0.527 418 A N -0.266 122.768 122.820 0.357 0.000 2.332 418 A HA 0.788 5.111 4.320 0.006 0.000 0.258 418 A C 0.181 177.901 177.584 0.227 0.000 1.087 418 A CA 0.160 52.354 52.037 0.262 0.000 0.802 418 A CB 0.464 19.533 19.000 0.115 0.000 1.042 418 A HN 0.870 nan 8.150 nan 0.000 0.489 419 I N 0.588 121.213 120.570 0.092 0.000 2.498 419 I HA 0.493 4.667 4.170 0.006 0.000 0.290 419 I C 0.118 176.136 176.117 -0.164 0.000 1.032 419 I CA -0.333 60.833 61.300 -0.224 0.000 1.073 419 I CB 2.007 39.800 38.000 -0.345 0.000 1.251 419 I HN 0.773 nan 8.210 nan 0.000 0.426 420 R N 4.788 125.149 120.500 -0.233 0.000 2.740 420 R HA 0.711 5.055 4.340 0.006 0.000 0.282 420 R C -1.839 174.303 176.300 -0.264 0.000 0.969 420 R CA -0.837 55.144 56.100 -0.198 0.000 0.918 420 R CB 2.054 32.264 30.300 -0.151 0.000 1.175 420 R HN 0.513 nan 8.270 nan 0.000 0.464 421 L N 3.252 124.266 121.223 -0.348 0.000 2.305 421 L HA 0.489 4.832 4.340 0.006 0.000 0.284 421 L C -1.567 175.062 176.870 -0.403 0.000 1.013 421 L CA -0.187 54.327 54.840 -0.545 0.000 0.819 421 L CB 1.637 43.217 42.059 -0.799 0.000 1.227 421 L HN 0.579 nan 8.230 nan 0.000 0.417 422 D N 6.005 126.225 120.400 -0.299 0.000 2.256 422 D HA 0.551 5.194 4.640 0.006 0.000 0.246 422 D C -0.520 175.736 176.300 -0.073 0.000 1.042 422 D CA 0.168 54.073 54.000 -0.157 0.000 0.841 422 D CB 2.323 43.059 40.800 -0.107 0.000 1.223 422 D HN 0.450 nan 8.370 nan 0.000 0.470 423 I N 1.524 122.048 120.570 -0.077 0.000 2.545 423 I HA 0.386 4.560 4.170 0.006 0.000 0.292 423 I C 0.002 176.125 176.117 0.010 0.000 1.040 423 I CA -0.798 60.471 61.300 -0.051 0.000 1.068 423 I CB 2.078 39.957 38.000 -0.201 0.000 1.251 423 I HN -0.048 nan 8.210 nan 0.000 0.424 424 R N 6.195 126.736 120.500 0.068 0.000 2.393 424 R HA 0.618 4.961 4.340 0.006 0.000 0.315 424 R C -1.302 174.958 176.300 -0.067 0.000 0.952 424 R CA -0.825 55.282 56.100 0.011 0.000 0.842 424 R CB 2.026 32.366 30.300 0.067 0.000 1.163 424 R HN 0.484 nan 8.270 nan 0.000 0.450 425 L N 2.198 123.337 121.223 -0.139 0.000 2.276 425 L HA 0.462 4.806 4.340 0.006 0.000 0.286 425 L C 0.670 177.393 176.870 -0.246 0.000 1.061 425 L CA -0.136 54.537 54.840 -0.278 0.000 0.807 425 L CB 1.511 43.358 42.059 -0.354 0.000 1.177 425 L HN 0.680 nan 8.230 nan 0.000 0.429 426 T N 1.056 115.437 114.554 -0.289 0.000 2.564 426 T HA 0.810 5.164 4.350 0.006 0.000 0.265 426 T C 0.047 174.593 174.700 -0.257 0.000 0.908 426 T CA 0.386 62.350 62.100 -0.226 0.000 1.166 426 T CB 1.200 69.960 68.868 -0.180 0.000 1.497 426 T HN 0.982 nan 8.240 nan 0.000 0.484 427 G N 0.389 109.043 108.800 -0.243 0.000 2.499 427 G HA2 -0.062 3.902 3.960 0.006 0.000 0.232 427 G HA3 -0.062 3.902 3.960 0.006 0.000 0.232 427 G C -0.906 173.844 174.900 -0.250 0.000 1.251 427 G CA -0.125 44.824 45.100 -0.252 0.000 0.917 427 G HN 0.945 nan 8.290 nan 0.000 0.580 428 I N 0.729 121.142 120.570 -0.262 0.000 2.569 428 I HA 0.427 4.601 4.170 0.006 0.000 0.296 428 I C 0.636 176.634 176.117 -0.199 0.000 1.028 428 I CA -0.916 60.214 61.300 -0.284 0.000 1.082 428 I CB 1.832 39.533 38.000 -0.499 0.000 1.264 428 I HN 0.506 nan 8.210 nan 0.000 0.429 429 L N 5.002 126.216 121.223 -0.016 0.000 2.525 429 L HA 0.021 4.364 4.340 0.006 0.000 0.278 429 L C 0.901 177.773 176.870 0.005 0.000 1.218 429 L CA 0.226 55.105 54.840 0.064 0.000 0.878 429 L CB -0.156 42.008 42.059 0.174 0.000 1.127 429 L HN 0.652 nan 8.230 nan 0.000 0.492 430 N N 2.353 121.093 118.700 0.068 0.000 2.483 430 N HA 0.062 4.806 4.740 0.006 0.000 0.264 430 N C -0.653 174.947 175.510 0.151 0.000 1.197 430 N CA -0.100 53.043 53.050 0.156 0.000 0.927 430 N CB 0.887 39.475 38.487 0.169 0.000 1.065 430 N HN 0.711 nan 8.380 nan 0.000 0.461 431 T N 0.900 115.617 114.554 0.272 0.000 2.907 431 T HA 0.442 4.795 4.350 0.006 0.000 0.292 431 T C -0.988 173.797 174.700 0.141 0.000 1.043 431 T CA -0.741 61.452 62.100 0.156 0.000 1.003 431 T CB 1.611 70.618 68.868 0.231 0.000 1.084 431 T HN 0.497 nan 8.240 nan 0.000 0.483 432 Y N 1.065 121.236 120.300 -0.214 0.000 2.605 432 Y HA 0.689 5.242 4.550 0.006 0.000 0.343 432 Y C -0.525 175.286 175.900 -0.150 0.000 1.036 432 Y CA -2.091 55.875 58.100 -0.223 0.000 1.065 432 Y CB 1.505 39.763 38.460 -0.336 0.000 1.288 432 Y HN 0.981 nan 8.280 nan 0.000 0.481 433 I N 3.846 123.829 120.570 -0.979 0.000 2.696 433 I HA 0.246 4.420 4.170 0.006 0.000 0.284 433 I C -1.304 174.582 176.117 -0.384 0.000 1.129 433 I CA -0.259 60.672 61.300 -0.615 0.000 1.410 433 I CB 0.567 38.203 38.000 -0.606 0.000 1.399 433 I HN 0.586 nan 8.210 nan 0.000 0.579 434 L N 6.903 128.008 121.223 -0.197 0.000 2.409 434 L HA 0.622 4.965 4.340 0.006 0.000 0.272 434 L C 0.026 176.857 176.870 -0.065 0.000 0.980 434 L CA -0.109 54.681 54.840 -0.083 0.000 0.826 434 L CB 1.539 43.561 42.059 -0.063 0.000 1.268 434 L HN 0.627 nan 8.230 nan 0.000 0.407 435 G N 2.250 111.034 108.800 -0.026 0.000 2.636 435 G HA2 0.115 4.078 3.960 0.006 0.000 0.246 435 G HA3 0.115 4.078 3.960 0.006 0.000 0.246 435 G C 0.326 175.219 174.900 -0.013 0.000 1.216 435 G CA -0.170 44.921 45.100 -0.015 0.000 0.854 435 G HN 0.782 nan 8.290 nan 0.000 0.572 436 D N 0.092 120.488 120.400 -0.006 0.000 2.158 436 D HA -0.095 4.549 4.640 0.006 0.000 0.197 436 D C 1.189 177.486 176.300 -0.005 0.000 0.995 436 D CA 1.320 55.319 54.000 -0.001 0.000 0.846 436 D CB 0.213 41.017 40.800 0.006 0.000 0.941 436 D HN 0.410 nan 8.370 nan 0.000 0.456 437 D N 0.192 120.592 120.400 0.000 0.000 2.402 437 D HA 0.023 4.667 4.640 0.006 0.000 0.216 437 D C 0.213 176.517 176.300 0.007 0.000 1.128 437 D CA -0.079 53.922 54.000 0.002 0.000 0.833 437 D CB 0.459 41.262 40.800 0.004 0.000 0.971 437 D HN 0.306 nan 8.370 nan 0.000 0.503 438 E N 1.599 121.805 120.200 0.011 0.000 2.249 438 E HA 0.129 4.483 4.350 0.006 0.000 0.280 438 E C -0.466 176.146 176.600 0.020 0.000 1.016 438 E CA -0.536 55.880 56.400 0.027 0.000 0.830 438 E CB 1.132 30.858 29.700 0.043 0.000 1.081 438 E HN -0.221 nan 8.360 nan 0.000 0.395 439 E N 3.062 123.277 120.200 0.024 0.000 2.229 439 E HA 0.241 4.594 4.350 0.006 0.000 0.283 439 E C -0.142 176.477 176.600 0.032 0.000 1.030 439 E CA 0.156 56.562 56.400 0.009 0.000 0.836 439 E CB 1.458 31.153 29.700 -0.009 0.000 1.068 439 E HN 0.550 nan 8.360 nan 0.000 0.401 440 A N 4.047 126.883 122.820 0.026 0.000 1.970 440 A HA 0.210 4.534 4.320 0.006 0.000 0.216 440 A C 1.294 178.903 177.584 0.042 0.000 1.170 440 A CA 0.817 52.895 52.037 0.067 0.000 0.645 440 A CB -0.703 18.329 19.000 0.053 0.000 0.816 440 A HN 0.635 nan 8.150 nan 0.000 0.447 441 G N -0.279 108.496 108.800 -0.040 0.000 2.594 441 G HA2 0.382 4.346 3.960 0.006 0.000 0.243 441 G HA3 0.382 4.346 3.960 0.006 0.000 0.243 441 G C -1.191 173.510 174.900 -0.331 0.000 1.229 441 G CA -0.330 44.681 45.100 -0.148 0.000 0.843 441 G HN 0.217 nan 8.290 nan 0.000 0.578 442 P HA 0.075 nan 4.420 nan 0.000 0.255 442 P C 0.447 177.511 177.300 -0.394 0.000 1.248 442 P CA 0.386 63.112 63.100 -0.623 0.000 0.807 442 P CB 0.152 31.318 31.700 -0.890 0.000 1.150 443 W N 0.417 121.776 121.300 0.098 0.000 3.197 443 W HA 0.429 5.093 4.660 0.006 0.000 0.274 443 W C 1.007 177.639 176.519 0.188 0.000 1.297 443 W CA -0.115 57.299 57.345 0.115 0.000 1.662 443 W CB 0.347 29.832 29.460 0.042 0.000 1.106 443 W HN -0.029 nan 8.180 nan 0.000 0.663 444 G N -0.488 108.511 108.800 0.332 0.000 2.663 444 G HA2 0.537 4.501 3.960 0.006 0.000 0.299 444 G HA3 0.537 4.501 3.960 0.006 0.000 0.299 444 G C -1.439 173.553 174.900 0.153 0.000 1.372 444 G CA -0.608 44.671 45.100 0.297 0.000 0.781 444 G HN -0.295 nan 8.290 nan 0.000 0.491 445 T N 0.121 114.736 114.554 0.101 0.000 2.861 445 T HA 0.457 4.811 4.350 0.006 0.000 0.287 445 T C -0.059 174.635 174.700 -0.010 0.000 1.003 445 T CA -0.614 61.512 62.100 0.044 0.000 0.977 445 T CB 1.872 70.773 68.868 0.055 0.000 0.996 445 T HN 0.555 nan 8.240 nan 0.000 0.448 446 R N 2.831 123.316 120.500 -0.025 0.000 2.309 446 R HA 0.257 4.600 4.340 0.006 0.000 0.331 446 R C 1.049 177.303 176.300 -0.076 0.000 1.116 446 R CA -0.136 55.925 56.100 -0.065 0.000 0.970 446 R CB -0.193 30.072 30.300 -0.060 0.000 1.024 446 R HN 0.580 nan 8.270 nan 0.000 0.472 447 V N 2.282 122.111 119.914 -0.142 0.000 3.650 447 V HA 0.282 4.405 4.120 0.006 0.000 0.271 447 V C -0.245 175.817 176.094 -0.055 0.000 1.281 447 V CA -0.014 62.206 62.300 -0.134 0.000 1.120 447 V CB -0.819 30.847 31.823 -0.263 0.000 0.856 447 V HN 0.693 nan 8.190 nan 0.000 0.443 448 Y N -0.759 119.378 120.300 -0.271 0.000 2.638 448 Y HA 0.563 5.116 4.550 0.006 0.000 0.334 448 Y C -3.170 172.594 175.900 -0.227 0.000 1.182 448 Y CA -2.128 55.862 58.100 -0.183 0.000 1.102 448 Y CB 1.620 39.998 38.460 -0.138 0.000 1.343 448 Y HN -0.120 nan 8.280 nan 0.000 0.463 449 P HA 0.178 nan 4.420 nan 0.000 0.262 449 P C -0.707 176.371 177.300 -0.371 0.000 1.182 449 P CA 1.332 64.052 63.100 -0.633 0.000 0.761 449 P CB 0.174 31.135 31.700 -1.232 0.000 0.795 450 N N -0.759 117.819 118.700 -0.203 0.000 2.800 450 N HA -0.139 4.604 4.740 0.006 0.000 0.250 450 N C -0.916 174.516 175.510 -0.130 0.000 1.078 450 N CA 0.236 53.213 53.050 -0.121 0.000 0.804 450 N CB -1.309 37.136 38.487 -0.069 0.000 1.135 450 N HN 0.118 nan 8.380 nan 0.000 0.565 451 V N 0.741 120.576 119.914 -0.132 0.000 2.409 451 V HA 0.382 4.506 4.120 0.006 0.000 0.291 451 V C -0.131 175.865 176.094 -0.164 0.000 1.020 451 V CA -0.778 61.430 62.300 -0.153 0.000 0.848 451 V CB 1.757 33.453 31.823 -0.213 0.000 0.990 451 V HN 0.185 nan 8.190 nan 0.000 0.430 452 N N 3.815 122.426 118.700 -0.148 0.000 2.444 452 N HA 0.565 5.308 4.740 0.006 0.000 0.262 452 N C -0.375 175.013 175.510 -0.204 0.000 0.974 452 N CA -0.281 52.691 53.050 -0.130 0.000 0.933 452 N CB 1.868 40.311 38.487 -0.073 0.000 1.137 452 N HN 0.807 nan 8.380 nan 0.000 0.498 453 A N 3.877 126.619 122.820 -0.130 0.000 2.260 453 A HA 0.317 4.641 4.320 0.006 0.000 0.312 453 A C -0.357 177.266 177.584 0.065 0.000 1.321 453 A CA -0.479 51.518 52.037 -0.067 0.000 0.928 453 A CB -0.303 18.675 19.000 -0.037 0.000 1.158 453 A HN 0.856 nan 8.150 nan 0.000 0.542 454 H N 2.066 121.248 119.070 0.186 0.000 2.707 454 H HA 0.079 4.639 4.556 0.006 0.000 0.359 454 H C 0.200 175.691 175.328 0.271 0.000 1.113 454 H CA -0.411 55.787 56.048 0.250 0.000 1.422 454 H CB 0.647 30.587 29.762 0.296 0.000 1.443 454 H HN 0.659 nan 8.280 nan 0.000 0.591 455 N N 2.956 121.852 118.700 0.326 0.000 2.407 455 N HA -0.010 4.733 4.740 0.006 0.000 0.250 455 N C -0.240 175.208 175.510 -0.102 0.000 1.236 455 N CA 0.472 53.551 53.050 0.049 0.000 0.879 455 N CB 0.326 38.900 38.487 0.145 0.000 1.088 455 N HN 0.675 nan 8.380 nan 0.000 0.450 456 H N -1.566 117.214 119.070 -0.483 0.000 3.014 456 H HA 0.361 4.920 4.556 0.006 0.000 0.337 456 H C -1.265 173.777 175.328 -0.477 0.000 1.320 456 H CA -0.790 54.856 56.048 -0.670 0.000 1.128 456 H CB 0.915 29.820 29.762 -1.429 0.000 1.862 456 H HN 0.394 nan 8.280 nan 0.000 0.536 457 Q N 0.684 120.276 119.800 -0.347 0.000 2.248 457 Q HA 0.377 4.720 4.340 0.006 0.000 0.263 457 Q C -0.703 175.156 176.000 -0.235 0.000 1.007 457 Q CA -0.958 54.701 55.803 -0.240 0.000 0.877 457 Q CB 2.295 30.947 28.738 -0.144 0.000 1.315 457 Q HN 0.541 nan 8.270 nan 0.000 0.454 458 H N 1.577 120.649 119.070 0.002 0.000 2.587 458 H HA 0.440 4.999 4.556 0.006 0.000 0.325 458 H C -0.865 174.385 175.328 -0.130 0.000 1.012 458 H CA -0.326 55.705 56.048 -0.027 0.000 1.213 458 H CB 0.965 30.817 29.762 0.149 0.000 1.431 458 H HN 0.349 nan 8.280 nan 0.000 0.492 459 L N 3.756 124.857 121.223 -0.203 0.000 2.362 459 L HA 0.506 4.849 4.340 0.006 0.000 0.271 459 L C -0.881 175.775 176.870 -0.356 0.000 1.002 459 L CA -0.766 53.993 54.840 -0.136 0.000 0.818 459 L CB 1.690 43.742 42.059 -0.011 0.000 1.298 459 L HN 0.392 nan 8.230 nan 0.000 0.420 460 F N -0.065 119.742 119.950 -0.240 0.000 2.576 460 F HA 0.413 4.944 4.527 0.006 0.000 0.313 460 F C 0.198 175.817 175.800 -0.301 0.000 1.078 460 F CA -0.732 57.026 58.000 -0.402 0.000 0.921 460 F CB 2.293 40.726 39.000 -0.944 0.000 1.232 460 F HN 0.252 nan 8.300 nan 0.000 0.459 461 S N 3.305 118.886 115.700 -0.198 0.000 2.532 461 S HA 0.468 4.941 4.470 0.006 0.000 0.318 461 S C -1.110 173.550 174.600 0.101 0.000 1.083 461 S CA -0.555 57.540 58.200 -0.175 0.000 1.131 461 S CB 0.134 62.835 63.200 -0.832 0.000 0.973 461 S HN 0.547 nan 8.310 nan 0.000 0.468 462 L N 5.942 127.351 121.223 0.311 0.000 2.319 462 L HA 0.524 4.868 4.340 0.006 0.000 0.280 462 L C 0.206 177.114 176.870 0.062 0.000 1.099 462 L CA 0.258 55.261 54.840 0.272 0.000 0.828 462 L CB 0.592 42.858 42.059 0.346 0.000 1.150 462 L HN 0.684 nan 8.230 nan 0.000 0.442 463 R N 6.374 126.797 120.500 -0.127 0.000 2.265 463 R HA 0.561 4.904 4.340 0.006 0.000 0.328 463 R C -1.404 174.659 176.300 -0.395 0.000 0.969 463 R CA -0.521 55.264 56.100 -0.525 0.000 0.832 463 R CB 0.576 30.509 30.300 -0.612 0.000 1.139 463 R HN 0.781 nan 8.270 nan 0.000 0.457 464 I N 3.547 123.892 120.570 -0.375 0.000 2.362 464 I HA 0.180 4.353 4.170 0.006 0.000 0.289 464 I C -0.575 175.415 176.117 -0.211 0.000 0.994 464 I CA -0.731 60.363 61.300 -0.343 0.000 1.158 464 I CB 1.876 39.644 38.000 -0.387 0.000 1.315 464 I HN 0.508 nan 8.210 nan 0.000 0.451 465 D N 9.547 129.857 120.400 -0.151 0.000 2.473 465 D HA 0.331 4.974 4.640 0.006 0.000 0.226 465 D C -2.556 173.799 176.300 0.093 0.000 1.089 465 D CA -2.071 51.930 54.000 0.002 0.000 0.883 465 D CB 1.397 42.236 40.800 0.065 0.000 1.029 465 D HN 0.141 nan 8.370 nan 0.000 0.517 466 P HA 0.362 nan 4.420 nan 0.000 0.279 466 P C -0.524 176.860 177.300 0.140 0.000 1.252 466 P CA -0.621 62.631 63.100 0.254 0.000 0.811 466 P CB 1.280 33.104 31.700 0.207 0.000 1.035 467 R N 1.812 122.379 120.500 0.111 0.000 2.627 467 R HA 0.275 4.619 4.340 0.006 0.000 0.251 467 R C -0.353 175.963 176.300 0.027 0.000 1.524 467 R CA -0.386 55.745 56.100 0.051 0.000 1.606 467 R CB -0.083 30.254 30.300 0.063 0.000 1.396 467 R HN 0.322 nan 8.270 nan 0.000 0.724 468 I N 2.707 123.300 120.570 0.037 0.000 2.576 468 I HA -0.012 4.161 4.170 0.006 0.000 0.288 468 I C 0.552 176.760 176.117 0.152 0.000 1.126 468 I CA 0.822 62.176 61.300 0.090 0.000 1.362 468 I CB 0.063 38.158 38.000 0.158 0.000 1.419 468 I HN 0.643 nan 8.210 nan 0.000 0.533 469 D N 4.977 125.506 120.400 0.214 0.000 2.837 469 D HA -0.153 4.491 4.640 0.006 0.000 0.230 469 D C 0.583 176.898 176.300 0.025 0.000 1.152 469 D CA 1.638 55.682 54.000 0.074 0.000 0.736 469 D CB -0.694 40.047 40.800 -0.097 0.000 1.084 469 D HN 1.177 nan 8.370 nan 0.000 0.429 470 G N -1.049 107.775 108.800 0.040 0.000 2.422 470 G HA2 -0.037 3.927 3.960 0.006 0.000 0.607 470 G HA3 -0.037 3.927 3.960 0.006 0.000 0.607 470 G C -0.990 173.915 174.900 0.007 0.000 1.270 470 G CA -0.254 44.856 45.100 0.017 0.000 0.992 470 G HN 0.194 nan 8.290 nan 0.000 0.499 471 D N 0.567 120.961 120.400 -0.009 0.000 2.313 471 D HA 0.513 5.156 4.640 0.006 0.000 0.247 471 D C 0.864 177.152 176.300 -0.020 0.000 1.094 471 D CA 1.403 55.389 54.000 -0.024 0.000 0.925 471 D CB 1.203 41.980 40.800 -0.038 0.000 1.188 471 D HN 2.064 nan 8.370 nan 0.000 0.430 472 G N 1.407 110.191 108.800 -0.026 0.000 2.830 472 G HA2 -0.172 3.791 3.960 0.006 0.000 0.298 472 G HA3 -0.172 3.791 3.960 0.006 0.000 0.298 472 G C -0.719 174.153 174.900 -0.046 0.000 1.031 472 G CA -0.714 44.370 45.100 -0.027 0.000 1.179 472 G HN 0.586 nan 8.290 nan 0.000 0.527 473 N N -0.205 118.457 118.700 -0.064 0.000 2.381 473 N HA 0.821 5.564 4.740 0.006 0.000 0.294 473 N C -0.343 175.037 175.510 -0.216 0.000 1.216 473 N CA -0.768 52.203 53.050 -0.131 0.000 0.803 473 N CB 1.927 40.381 38.487 -0.055 0.000 1.372 473 N HN 0.361 nan 8.380 nan 0.000 0.500 474 S N -0.153 115.248 115.700 -0.498 0.000 2.697 474 S HA 0.832 5.306 4.470 0.006 0.000 0.289 474 S C -1.248 173.085 174.600 -0.444 0.000 1.149 474 S CA -0.688 57.203 58.200 -0.515 0.000 0.850 474 S CB 1.977 64.699 63.200 -0.796 0.000 1.151 474 S HN 0.674 nan 8.310 nan 0.000 0.491 475 A N 0.248 123.040 122.820 -0.046 0.000 2.469 475 A HA 0.988 5.312 4.320 0.006 0.000 0.299 475 A C -0.995 176.567 177.584 -0.036 0.000 1.098 475 A CA -0.633 51.537 52.037 0.223 0.000 0.737 475 A CB 1.507 20.851 19.000 0.574 0.000 1.312 475 A HN 1.327 nan 8.150 nan 0.000 0.414 476 A N -0.108 122.656 122.820 -0.093 0.000 2.572 476 A HA 0.861 5.185 4.320 0.006 0.000 0.295 476 A C -0.290 177.122 177.584 -0.286 0.000 1.072 476 A CA 0.020 51.752 52.037 -0.507 0.000 0.691 476 A CB 1.143 20.107 19.000 -0.060 0.000 1.291 476 A HN 2.421 nan 8.150 nan 0.000 0.404 477 A N 0.045 122.671 122.820 -0.324 0.000 2.309 477 A HA 0.587 4.910 4.320 0.006 0.000 0.298 477 A C -0.284 177.215 177.584 -0.141 0.000 1.165 477 A CA -0.275 51.694 52.037 -0.113 0.000 0.821 477 A CB 0.012 19.076 19.000 0.107 0.000 1.102 477 A HN 1.174 nan 8.150 nan 0.000 0.500 478 C N 2.281 121.462 119.300 -0.199 0.000 2.319 478 C HA 0.631 5.094 4.460 0.006 0.000 0.323 478 C C -0.814 174.075 174.990 -0.168 0.000 1.277 478 C CA -0.771 58.166 59.018 -0.136 0.000 1.517 478 C CB 0.409 28.098 27.740 -0.086 0.000 2.206 478 C HN 0.796 nan 8.230 nan 0.000 0.486 479 D N 2.231 122.546 120.400 -0.142 0.000 2.593 479 D HA 0.460 5.104 4.640 0.006 0.000 0.251 479 D C -0.277 175.911 176.300 -0.186 0.000 1.140 479 D CA 0.117 54.019 54.000 -0.164 0.000 0.855 479 D CB 2.070 42.784 40.800 -0.145 0.000 1.267 479 D HN 0.692 nan 8.370 nan 0.000 0.532 480 A N 3.260 125.979 122.820 -0.169 0.000 2.454 480 A HA 0.333 4.657 4.320 0.006 0.000 0.260 480 A C 0.200 177.639 177.584 -0.241 0.000 1.106 480 A CA 0.131 52.060 52.037 -0.180 0.000 0.780 480 A CB 0.351 19.254 19.000 -0.162 0.000 1.044 480 A HN 0.280 nan 8.150 nan 0.000 0.498 481 K N 2.068 122.261 120.400 -0.345 0.000 2.464 481 K HA 0.413 4.736 4.320 0.006 0.000 0.253 481 K C -0.539 175.995 176.600 -0.111 0.000 0.933 481 K CA -0.546 55.555 56.287 -0.309 0.000 0.801 481 K CB 2.166 34.366 32.500 -0.501 0.000 1.271 481 K HN 0.647 nan 8.250 nan 0.000 0.430 482 S N 0.826 116.545 115.700 0.033 0.000 2.579 482 S HA 0.006 4.480 4.470 0.006 0.000 0.275 482 S C 0.525 175.313 174.600 0.312 0.000 1.345 482 S CA -0.150 58.161 58.200 0.184 0.000 1.031 482 S CB 0.767 64.038 63.200 0.119 0.000 0.892 482 S HN 0.582 nan 8.310 nan 0.000 0.529 483 S N 2.717 118.635 115.700 0.364 0.000 2.558 483 S HA 0.063 4.536 4.470 0.006 0.000 0.291 483 S C -1.109 173.626 174.600 0.225 0.000 1.306 483 S CA -1.080 57.324 58.200 0.339 0.000 1.056 483 S CB 0.288 63.655 63.200 0.278 0.000 0.836 483 S HN 0.560 nan 8.310 nan 0.000 0.504 484 P HA 0.007 nan 4.420 nan 0.000 0.233 484 P C -0.370 176.863 177.300 -0.112 0.000 1.167 484 P CA 0.579 63.663 63.100 -0.026 0.000 0.770 484 P CB -0.071 31.542 31.700 -0.145 0.000 0.837 485 Y N 2.575 122.902 120.300 0.044 0.000 2.359 485 Y HA 0.232 4.785 4.550 0.004 0.000 0.330 485 Y C -1.443 174.476 175.900 0.032 0.000 1.143 485 Y CA -2.428 55.688 58.100 0.027 0.000 1.318 485 Y CB -0.228 38.240 38.460 0.013 0.000 1.234 485 Y HN 0.012 nan 8.280 nan 0.000 0.522 486 P HA 0.064 nan 4.420 nan 0.000 0.276 486 P C -0.679 176.673 177.300 0.086 0.000 1.244 486 P CA -0.588 62.569 63.100 0.096 0.000 0.801 486 P CB 1.101 32.839 31.700 0.063 0.000 1.006 487 L N 1.444 122.704 121.223 0.061 0.000 2.615 487 L HA 0.184 4.528 4.340 0.006 0.000 0.284 487 L C 1.442 178.313 176.870 0.001 0.000 1.237 487 L CA 2.352 57.213 54.840 0.034 0.000 0.905 487 L CB -1.143 40.935 42.059 0.031 0.000 1.149 487 L HN 0.870 nan 8.230 nan 0.000 0.499 488 G N 2.126 110.899 108.800 -0.045 0.000 2.195 488 G HA2 -0.266 3.698 3.960 0.006 0.000 0.246 488 G HA3 -0.266 3.698 3.960 0.006 0.000 0.246 488 G C 0.286 175.155 174.900 -0.052 0.000 0.984 488 G CA 0.343 45.398 45.100 -0.075 0.000 0.633 488 G HN 1.200 nan 8.290 nan 0.000 0.525 489 S N 0.346 116.037 115.700 -0.014 0.000 2.601 489 S HA 0.615 5.088 4.470 0.006 0.000 0.271 489 S C -0.844 173.726 174.600 -0.049 0.000 1.305 489 S CA -0.560 57.639 58.200 -0.001 0.000 1.022 489 S CB 2.163 65.408 63.200 0.075 0.000 0.940 489 S HN -0.013 nan 8.310 nan 0.000 0.525 490 P HA -0.089 nan 4.420 nan 0.000 0.217 490 P C 0.748 177.976 177.300 -0.120 0.000 1.148 490 P CA 1.210 64.258 63.100 -0.086 0.000 0.828 490 P CB -0.002 31.647 31.700 -0.084 0.000 0.783 491 E N -1.878 118.203 120.200 -0.199 0.000 2.358 491 E HA -0.031 4.322 4.350 0.006 0.000 0.195 491 E C 0.733 177.258 176.600 -0.125 0.000 1.010 491 E CA 0.638 56.860 56.400 -0.296 0.000 0.856 491 E CB -0.316 28.892 29.700 -0.819 0.000 0.795 491 E HN 0.098 nan 8.360 nan 0.000 0.504 492 N N -0.412 118.267 118.700 -0.035 0.000 2.639 492 N HA 0.075 4.819 4.740 0.006 0.000 0.265 492 N C 0.155 175.683 175.510 0.030 0.000 1.689 492 N CA -0.020 53.057 53.050 0.045 0.000 0.813 492 N CB 0.047 38.603 38.487 0.116 0.000 1.353 492 N HN -0.062 nan 8.380 nan 0.000 0.510 493 M N 0.286 119.878 119.600 -0.014 0.000 2.082 493 M HA -0.048 4.436 4.480 0.006 0.000 0.258 493 M C 0.198 176.335 176.300 -0.272 0.000 1.069 493 M CA 2.043 57.234 55.300 -0.182 0.000 1.102 493 M CB -0.298 32.124 32.600 -0.295 0.000 1.336 493 M HN 0.371 nan 8.290 nan 0.000 0.404 494 Y N -0.766 119.548 120.300 0.024 0.000 2.485 494 Y HA 0.446 4.999 4.550 0.006 0.000 0.260 494 Y C 1.457 177.384 175.900 0.044 0.000 1.173 494 Y CA 0.061 58.179 58.100 0.030 0.000 1.252 494 Y CB -0.237 38.238 38.460 0.025 0.000 1.123 494 Y HN 0.442 nan 8.280 nan 0.000 0.524 495 G N 1.464 110.357 108.800 0.155 0.000 2.168 495 G HA2 -0.381 3.583 3.960 0.006 0.000 0.257 495 G HA3 -0.381 3.583 3.960 0.006 0.000 0.257 495 G C 0.933 175.926 174.900 0.155 0.000 0.997 495 G CA 0.745 45.925 45.100 0.132 0.000 0.708 495 G HN 0.574 nan 8.290 nan 0.000 0.520 496 N N 0.007 118.812 118.700 0.175 0.000 2.325 496 N HA 0.390 5.133 4.740 0.006 0.000 0.182 496 N C 1.049 176.694 175.510 0.225 0.000 1.088 496 N CA 0.739 53.902 53.050 0.188 0.000 0.879 496 N CB 0.023 38.600 38.487 0.151 0.000 0.983 496 N HN 0.997 nan 8.380 nan 0.000 0.471 497 A N 0.974 123.902 122.820 0.179 0.000 2.477 497 A HA 0.461 4.785 4.320 0.006 0.000 0.246 497 A C -0.406 177.348 177.584 0.284 0.000 1.078 497 A CA -0.325 51.798 52.037 0.143 0.000 0.770 497 A CB -0.435 18.632 19.000 0.112 0.000 1.011 497 A HN 0.484 nan 8.150 nan 0.000 0.494 498 F N 0.605 120.643 119.950 0.147 0.000 2.668 498 F HA 0.778 5.308 4.527 0.005 0.000 0.309 498 F C -1.016 174.923 175.800 0.231 0.000 1.117 498 F CA -1.339 56.766 58.000 0.175 0.000 0.951 498 F CB 1.125 40.162 39.000 0.062 0.000 1.323 498 F HN 0.780 nan 8.300 nan 0.000 0.451 499 Y N -0.597 119.866 120.300 0.271 0.000 2.689 499 Y HA 0.765 5.319 4.550 0.007 0.000 0.333 499 Y C -1.461 174.546 175.900 0.178 0.000 1.190 499 Y CA -1.774 56.403 58.100 0.128 0.000 1.063 499 Y CB 1.052 39.544 38.460 0.052 0.000 1.294 499 Y HN 0.794 nan 8.280 nan 0.000 0.466 500 S N 0.870 116.627 115.700 0.096 0.000 2.433 500 S HA 0.270 4.744 4.470 0.006 0.000 0.310 500 S C -0.936 173.677 174.600 0.022 0.000 1.097 500 S CA -0.601 57.581 58.200 -0.031 0.000 1.103 500 S CB 0.213 63.437 63.200 0.040 0.000 0.992 500 S HN 0.715 nan 8.310 nan 0.000 0.469 501 E N 4.190 124.313 120.200 -0.128 0.000 2.130 501 E HA 0.210 4.563 4.350 0.006 0.000 0.284 501 E C -0.546 176.056 176.600 0.003 0.000 1.018 501 E CA -0.407 56.014 56.400 0.036 0.000 0.817 501 E CB 0.499 30.192 29.700 -0.011 0.000 1.078 501 E HN 0.502 nan 8.360 nan 0.000 0.396 502 K N 3.456 123.869 120.400 0.022 0.000 2.234 502 K HA 0.219 4.542 4.320 0.006 0.000 0.277 502 K C -1.172 175.424 176.600 -0.006 0.000 1.038 502 K CA -0.359 55.909 56.287 -0.032 0.000 0.888 502 K CB 1.202 33.652 32.500 -0.083 0.000 1.091 502 K HN 0.356 nan 8.250 nan 0.000 0.467 503 T N 3.420 117.966 114.554 -0.013 0.000 2.874 503 T HA 0.141 4.495 4.350 0.006 0.000 0.321 503 T C -0.550 174.130 174.700 -0.034 0.000 1.075 503 T CA -0.447 61.679 62.100 0.042 0.000 0.966 503 T CB 1.013 69.959 68.868 0.130 0.000 1.001 503 T HN 0.491 nan 8.240 nan 0.000 0.476 504 T N 4.459 119.031 114.554 0.030 0.000 2.870 504 T HA 0.277 4.630 4.350 0.006 0.000 0.300 504 T C 0.073 174.876 174.700 0.172 0.000 0.989 504 T CA -0.190 61.947 62.100 0.061 0.000 1.139 504 T CB -0.099 68.892 68.868 0.205 0.000 0.920 504 T HN 0.249 nan 8.240 nan 0.000 0.537 505 F N 3.143 123.222 119.950 0.215 0.000 2.445 505 F HA 0.311 4.841 4.527 0.005 0.000 0.359 505 F C 1.461 177.332 175.800 0.119 0.000 1.101 505 F CA -1.150 56.943 58.000 0.155 0.000 1.177 505 F CB 0.488 39.582 39.000 0.156 0.000 1.110 505 F HN 0.558 nan 8.300 nan 0.000 0.522 506 K N 0.681 121.252 120.400 0.286 0.000 2.168 506 K HA 0.057 4.380 4.320 0.006 0.000 0.201 506 K C 0.753 177.436 176.600 0.139 0.000 1.049 506 K CA 0.986 57.380 56.287 0.178 0.000 0.974 506 K CB 0.207 32.789 32.500 0.137 0.000 0.792 506 K HN 0.710 nan 8.250 nan 0.000 0.463 507 T N -2.872 111.753 114.554 0.119 0.000 2.930 507 T HA 0.241 4.594 4.350 0.006 0.000 0.290 507 T C 1.292 176.014 174.700 0.038 0.000 1.052 507 T CA -0.929 61.214 62.100 0.072 0.000 1.017 507 T CB 1.770 70.668 68.868 0.049 0.000 1.137 507 T HN -0.226 nan 8.240 nan 0.000 0.511 508 V N 1.306 121.229 119.914 0.015 0.000 2.278 508 V HA -0.205 3.919 4.120 0.006 0.000 0.251 508 V C 2.868 178.899 176.094 -0.105 0.000 1.062 508 V CA 2.433 64.715 62.300 -0.031 0.000 1.038 508 V CB -0.914 30.905 31.823 -0.008 0.000 0.646 508 V HN 1.036 nan 8.190 nan 0.000 0.447 509 K N -0.161 120.195 120.400 -0.073 0.000 2.113 509 K HA -0.262 4.061 4.320 0.006 0.000 0.208 509 K C 1.805 178.318 176.600 -0.145 0.000 1.047 509 K CA 2.003 58.231 56.287 -0.099 0.000 0.928 509 K CB -0.279 32.195 32.500 -0.043 0.000 0.716 509 K HN 0.504 nan 8.250 nan 0.000 0.446 510 D N -0.069 120.265 120.400 -0.110 0.000 2.218 510 D HA -0.129 4.515 4.640 0.006 0.000 0.204 510 D C 1.863 177.849 176.300 -0.524 0.000 0.976 510 D CA 1.529 55.460 54.000 -0.115 0.000 0.853 510 D CB -0.073 40.785 40.800 0.097 0.000 0.939 510 D HN 0.364 nan 8.370 nan 0.000 0.481 511 S N -0.212 115.015 115.700 -0.788 0.000 2.527 511 S HA 0.008 4.482 4.470 0.006 0.000 0.222 511 S C 1.141 175.272 174.600 -0.781 0.000 0.985 511 S CA -0.207 57.089 58.200 -1.508 0.000 0.921 511 S CB -0.321 62.377 63.200 -0.837 0.000 0.772 511 S HN 0.137 nan 8.310 nan 0.000 0.529 512 L N 3.801 124.712 121.223 -0.519 0.000 2.462 512 L HA 0.316 4.659 4.340 0.006 0.000 0.283 512 L C 0.075 176.798 176.870 -0.245 0.000 1.166 512 L CA -0.205 54.301 54.840 -0.556 0.000 0.964 512 L CB -0.583 40.973 42.059 -0.838 0.000 1.294 512 L HN 0.378 nan 8.230 nan 0.000 0.449 513 T N -1.146 113.430 114.554 0.037 0.000 2.903 513 T HA 0.518 4.871 4.350 0.006 0.000 0.299 513 T C -0.419 174.579 174.700 0.496 0.000 1.093 513 T CA -1.090 61.207 62.100 0.329 0.000 1.002 513 T CB 2.358 71.531 68.868 0.509 0.000 1.127 513 T HN 0.178 nan 8.240 nan 0.000 0.488 514 N N 0.239 119.231 118.700 0.487 0.000 2.404 514 N HA 0.358 5.102 4.740 0.006 0.000 0.297 514 N C -1.154 174.733 175.510 0.627 0.000 1.163 514 N CA -0.672 52.680 53.050 0.505 0.000 0.864 514 N CB 1.162 39.828 38.487 0.299 0.000 1.247 514 N HN 0.756 nan 8.380 nan 0.000 0.510 515 Y N 1.028 121.684 120.300 0.592 0.000 2.597 515 Y HA -0.005 4.549 4.550 0.006 0.000 0.336 515 Y C -0.188 175.837 175.900 0.208 0.000 1.216 515 Y CA 0.597 58.965 58.100 0.448 0.000 1.463 515 Y CB 0.469 39.214 38.460 0.476 0.000 1.303 515 Y HN 0.293 nan 8.280 nan 0.000 0.576 516 E N 3.693 123.403 120.200 -0.815 0.000 2.255 516 E HA 0.131 4.484 4.350 0.006 0.000 0.256 516 E C 0.461 176.559 176.600 -0.837 0.000 0.887 516 E CA 0.006 56.053 56.400 -0.589 0.000 0.782 516 E CB 1.566 31.093 29.700 -0.287 0.000 1.214 516 E HN 0.790 nan 8.360 nan 0.000 0.417 517 S N 1.634 117.004 115.700 -0.549 0.000 2.399 517 S HA -0.171 4.303 4.470 0.006 0.000 0.231 517 S C 1.835 176.329 174.600 -0.176 0.000 1.022 517 S CA 0.979 59.022 58.200 -0.261 0.000 0.983 517 S CB -0.080 63.109 63.200 -0.018 0.000 0.803 517 S HN 0.476 nan 8.310 nan 0.000 0.480 518 A N 1.791 124.512 122.820 -0.166 0.000 2.070 518 A HA 0.009 4.332 4.320 0.006 0.000 0.220 518 A C 2.248 179.749 177.584 -0.137 0.000 1.159 518 A CA 1.723 53.689 52.037 -0.118 0.000 0.656 518 A CB -0.903 18.042 19.000 -0.091 0.000 0.800 518 A HN 0.790 nan 8.150 nan 0.000 0.453 519 T N -5.426 109.017 114.554 -0.184 0.000 3.091 519 T HA 0.432 4.785 4.350 0.006 0.000 0.277 519 T C 1.056 175.653 174.700 -0.173 0.000 0.996 519 T CA 0.834 62.828 62.100 -0.177 0.000 0.897 519 T CB -0.051 68.709 68.868 -0.180 0.000 1.109 519 T HN 1.597 nan 8.240 nan 0.000 0.534 520 G N 2.809 111.510 108.800 -0.165 0.000 2.395 520 G HA2 -0.344 3.620 3.960 0.006 0.000 0.300 520 G HA3 -0.344 3.620 3.960 0.006 0.000 0.300 520 G C 0.013 174.890 174.900 -0.038 0.000 0.998 520 G CA 0.294 45.365 45.100 -0.049 0.000 1.046 520 G HN 0.910 nan 8.290 nan 0.000 0.513 521 R N 0.117 120.497 120.500 -0.201 0.000 2.538 521 R HA 0.368 4.712 4.340 0.006 0.000 0.282 521 R C 0.946 177.116 176.300 -0.217 0.000 1.009 521 R CA 0.780 56.702 56.100 -0.297 0.000 1.063 521 R CB 0.251 30.244 30.300 -0.510 0.000 0.945 521 R HN 0.593 nan 8.270 nan 0.000 0.414 522 S N 3.921 119.441 115.700 -0.301 0.000 2.751 522 S HA 0.607 5.080 4.470 0.006 0.000 0.310 522 S C -1.048 173.386 174.600 -0.276 0.000 1.128 522 S CA -1.003 57.104 58.200 -0.155 0.000 0.931 522 S CB 1.405 64.627 63.200 0.035 0.000 1.177 522 S HN 0.631 nan 8.310 nan 0.000 0.530 523 W N 0.409 121.815 121.300 0.176 0.000 2.819 523 W HA 0.420 5.084 4.660 0.006 0.000 0.337 523 W C -1.390 175.217 176.519 0.146 0.000 1.077 523 W CA -0.496 56.983 57.345 0.223 0.000 1.226 523 W CB 2.083 31.809 29.460 0.445 0.000 1.419 523 W HN 0.610 nan 8.180 nan 0.000 0.502 524 D N 2.102 122.722 120.400 0.367 0.000 2.192 524 D HA 0.510 5.154 4.640 0.006 0.000 0.246 524 D C -0.389 176.144 176.300 0.389 0.000 1.042 524 D CA -0.349 53.837 54.000 0.310 0.000 0.847 524 D CB 2.187 43.130 40.800 0.239 0.000 1.186 524 D HN 0.085 nan 8.370 nan 0.000 0.461 525 I N 2.945 123.689 120.570 0.290 0.000 2.362 525 I HA 0.425 4.599 4.170 0.006 0.000 0.289 525 I C -0.511 175.807 176.117 0.335 0.000 0.994 525 I CA -0.890 60.556 61.300 0.244 0.000 1.158 525 I CB 0.493 38.546 38.000 0.090 0.000 1.315 525 I HN 0.231 nan 8.210 nan 0.000 0.451 526 F N 3.959 123.985 119.950 0.126 0.000 2.664 526 F HA 0.575 5.105 4.527 0.005 0.000 0.317 526 F C -0.946 174.910 175.800 0.092 0.000 1.108 526 F CA -1.143 56.924 58.000 0.113 0.000 0.957 526 F CB 1.244 40.293 39.000 0.082 0.000 1.365 526 F HN 0.210 nan 8.300 nan 0.000 0.475 527 N N 2.520 121.367 118.700 0.246 0.000 2.546 527 N HA 0.375 5.118 4.740 0.006 0.000 0.238 527 N C -2.168 173.462 175.510 0.201 0.000 0.984 527 N CA -2.593 50.520 53.050 0.105 0.000 0.935 527 N CB 1.588 40.124 38.487 0.083 0.000 1.122 527 N HN 0.432 nan 8.380 nan 0.000 0.510 528 P HA 0.030 nan 4.420 nan 0.000 0.242 528 P C 0.119 177.488 177.300 0.115 0.000 1.197 528 P CA 0.551 63.793 63.100 0.237 0.000 0.765 528 P CB 0.494 32.311 31.700 0.196 0.000 0.936 529 N N -0.045 118.695 118.700 0.066 0.000 2.353 529 N HA 0.060 4.803 4.740 0.006 0.000 0.185 529 N C 0.542 176.065 175.510 0.021 0.000 1.098 529 N CA 0.508 53.578 53.050 0.034 0.000 0.872 529 N CB 0.552 39.048 38.487 0.014 0.000 0.970 529 N HN 0.348 nan 8.380 nan 0.000 0.467 530 K N 0.059 120.476 120.400 0.029 0.000 2.400 530 K HA 0.578 4.902 4.320 0.006 0.000 0.246 530 K C -1.302 175.297 176.600 -0.000 0.000 0.995 530 K CA -0.679 55.606 56.287 -0.004 0.000 0.840 530 K CB 3.292 35.771 32.500 -0.035 0.000 1.293 530 K HN -0.298 nan 8.250 nan 0.000 0.445 531 V N 1.401 121.298 119.914 -0.028 0.000 2.808 531 V HA 0.243 4.366 4.120 0.006 0.000 0.308 531 V C -1.272 174.794 176.094 -0.047 0.000 1.099 531 V CA -0.882 61.401 62.300 -0.028 0.000 0.920 531 V CB 2.003 33.814 31.823 -0.019 0.000 1.014 531 V HN 0.779 nan 8.190 nan 0.000 0.425 532 N N 7.547 126.227 118.700 -0.032 0.000 2.475 532 N HA 0.223 4.966 4.740 0.006 0.000 0.267 532 N C -1.718 173.779 175.510 -0.022 0.000 1.169 532 N CA -1.119 51.912 53.050 -0.031 0.000 0.947 532 N CB 2.034 40.555 38.487 0.057 0.000 1.061 532 N HN 0.460 nan 8.380 nan 0.000 0.466 533 P HA -0.086 nan 4.420 nan 0.000 0.226 533 P C 0.540 177.911 177.300 0.119 0.000 1.153 533 P CA 1.104 64.177 63.100 -0.045 0.000 0.777 533 P CB 0.167 31.778 31.700 -0.148 0.000 0.794 534 Y N 1.088 121.396 120.300 0.013 0.000 2.190 534 Y HA -0.015 4.538 4.550 0.005 0.000 0.290 534 Y C 2.847 178.764 175.900 0.027 0.000 1.115 534 Y CA 1.039 59.149 58.100 0.016 0.000 1.107 534 Y CB -1.419 37.051 38.460 0.017 0.000 1.033 534 Y HN 0.046 nan 8.280 nan 0.000 0.502 535 S N -1.073 114.770 115.700 0.238 0.000 2.496 535 S HA 0.191 4.664 4.470 0.006 0.000 0.224 535 S C 1.876 176.519 174.600 0.071 0.000 0.996 535 S CA 0.672 58.976 58.200 0.173 0.000 0.927 535 S CB -0.338 63.056 63.200 0.323 0.000 0.774 535 S HN 0.656 nan 8.310 nan 0.000 0.524 536 G N 1.012 109.842 108.800 0.049 0.000 2.162 536 G HA2 -0.218 3.745 3.960 0.006 0.000 0.260 536 G HA3 -0.218 3.745 3.960 0.006 0.000 0.260 536 G C -0.030 174.833 174.900 -0.062 0.000 0.976 536 G CA 0.408 45.506 45.100 -0.004 0.000 0.655 536 G HN 0.510 nan 8.290 nan 0.000 0.533 537 K N 0.792 121.122 120.400 -0.117 0.000 2.095 537 K HA 0.553 4.877 4.320 0.006 0.000 0.252 537 K C -2.287 174.222 176.600 -0.152 0.000 0.977 537 K CA -2.358 53.776 56.287 -0.254 0.000 0.900 537 K CB 1.478 33.567 32.500 -0.685 0.000 1.060 537 K HN 0.116 nan 8.250 nan 0.000 0.449 538 P HA 0.142 nan 4.420 nan 0.000 0.272 538 P C -2.504 174.831 177.300 0.058 0.000 1.223 538 P CA -1.357 61.744 63.100 0.001 0.000 0.784 538 P CB -0.330 31.438 31.700 0.113 0.000 0.923 539 P HA 0.042 nan 4.420 nan 0.000 0.271 539 P C -0.287 177.191 177.300 0.298 0.000 1.216 539 P CA 0.426 63.607 63.100 0.135 0.000 0.771 539 P CB 0.474 32.137 31.700 -0.062 0.000 0.864 540 S N 2.273 118.182 115.700 0.348 0.000 2.579 540 S HA 0.567 5.040 4.470 0.006 0.000 0.272 540 S C -1.559 173.214 174.600 0.288 0.000 1.141 540 S CA -0.741 57.668 58.200 0.348 0.000 0.843 540 S CB 1.136 64.498 63.200 0.270 0.000 1.122 540 S HN 0.327 nan 8.310 nan 0.000 0.468 541 Y N 0.837 121.189 120.300 0.085 0.000 2.352 541 Y HA 0.552 5.105 4.550 0.005 0.000 0.339 541 Y C 0.305 176.249 175.900 0.074 0.000 0.992 541 Y CA -0.557 57.555 58.100 0.020 0.000 1.100 541 Y CB 1.823 40.266 38.460 -0.029 0.000 1.192 541 Y HN 0.759 nan 8.280 nan 0.000 0.458 542 K N 4.356 124.810 120.400 0.090 0.000 2.235 542 K HA 0.378 4.702 4.320 0.006 0.000 0.266 542 K C -1.471 175.186 176.600 0.095 0.000 0.980 542 K CA -0.929 55.421 56.287 0.105 0.000 0.849 542 K CB 0.950 33.490 32.500 0.067 0.000 1.098 542 K HN 0.602 nan 8.250 nan 0.000 0.445 543 L N 5.742 127.034 121.223 0.115 0.000 2.315 543 L HA 0.229 4.572 4.340 0.006 0.000 0.283 543 L C -1.297 175.665 176.870 0.154 0.000 1.089 543 L CA 0.012 54.894 54.840 0.070 0.000 0.833 543 L CB 1.078 43.132 42.059 -0.008 0.000 1.170 543 L HN 0.347 nan 8.230 nan 0.000 0.442 544 V N 4.971 124.925 119.914 0.068 0.000 2.313 544 V HA 0.569 4.693 4.120 0.006 0.000 0.278 544 V C -0.032 176.077 176.094 0.025 0.000 1.017 544 V CA -0.244 62.096 62.300 0.068 0.000 0.823 544 V CB 0.868 32.709 31.823 0.030 0.000 1.010 544 V HN 0.838 nan 8.190 nan 0.000 0.443 545 S N 2.879 118.617 115.700 0.065 0.000 2.689 545 S HA 0.458 4.931 4.470 0.006 0.000 0.274 545 S C 0.492 175.020 174.600 -0.121 0.000 1.176 545 S CA 0.208 58.426 58.200 0.032 0.000 1.014 545 S CB 1.743 65.028 63.200 0.142 0.000 1.071 545 S HN 0.919 nan 8.310 nan 0.000 0.478 546 T N 1.377 115.797 114.554 -0.224 0.000 3.003 546 T HA 0.290 4.643 4.350 0.006 0.000 0.261 546 T C 0.368 174.935 174.700 -0.221 0.000 1.003 546 T CA -0.074 61.704 62.100 -0.536 0.000 0.917 546 T CB -0.103 68.560 68.868 -0.341 0.000 1.084 546 T HN 0.571 nan 8.240 nan 0.000 0.522 547 Q N 1.099 120.884 119.800 -0.025 0.000 3.027 547 Q HA 0.352 4.696 4.340 0.006 0.000 0.260 547 Q C -0.919 175.189 176.000 0.179 0.000 1.379 547 Q CA -0.467 55.390 55.803 0.090 0.000 1.038 547 Q CB -0.313 28.496 28.738 0.118 0.000 1.578 547 Q HN 0.451 nan 8.270 nan 0.000 0.571 548 C N 2.928 122.326 119.300 0.163 0.000 3.003 548 C HA 0.359 4.822 4.460 0.006 0.000 0.241 548 C C -2.115 173.010 174.990 0.226 0.000 1.224 548 C CA -1.829 57.331 59.018 0.236 0.000 1.560 548 C CB -0.487 27.463 27.740 0.351 0.000 1.768 548 C HN 0.549 nan 8.230 nan 0.000 0.440 549 P HA 0.281 nan 4.420 nan 0.000 0.274 549 P C -2.216 175.148 177.300 0.107 0.000 1.231 549 P CA -0.801 62.377 63.100 0.131 0.000 0.790 549 P CB 0.095 31.848 31.700 0.088 0.000 0.951 550 P HA 0.110 nan 4.420 nan 0.000 0.274 550 P C -0.700 176.596 177.300 -0.006 0.000 1.231 550 P CA -0.381 62.746 63.100 0.045 0.000 0.790 550 P CB 0.580 32.307 31.700 0.045 0.000 0.951 551 L N 2.831 124.018 121.223 -0.059 0.000 2.369 551 L HA 0.073 4.417 4.340 0.006 0.000 0.279 551 L C 1.130 177.951 176.870 -0.081 0.000 1.108 551 L CA 0.320 55.098 54.840 -0.103 0.000 0.852 551 L CB -0.437 41.517 42.059 -0.175 0.000 1.169 551 L HN 0.321 nan 8.230 nan 0.000 0.452 552 L N 4.831 126.016 121.223 -0.064 0.000 2.240 552 L HA 0.169 4.512 4.340 0.006 0.000 0.211 552 L C 1.413 178.248 176.870 -0.059 0.000 1.106 552 L CA 0.409 55.228 54.840 -0.035 0.000 0.793 552 L CB -0.463 41.595 42.059 -0.001 0.000 0.927 552 L HN 0.833 nan 8.230 nan 0.000 0.446 553 A N 0.990 123.752 122.820 -0.097 0.000 2.498 553 A HA 0.123 4.446 4.320 0.006 0.000 0.239 553 A C 0.267 177.779 177.584 -0.120 0.000 1.068 553 A CA -0.093 51.872 52.037 -0.120 0.000 0.766 553 A CB 0.117 19.019 19.000 -0.163 0.000 1.003 553 A HN 0.065 nan 8.150 nan 0.000 0.497 554 K N 1.952 122.285 120.400 -0.111 0.000 2.219 554 K HA 0.098 4.421 4.320 0.006 0.000 0.258 554 K C 0.101 176.630 176.600 -0.118 0.000 1.008 554 K CA -0.067 56.161 56.287 -0.098 0.000 0.928 554 K CB 0.453 32.903 32.500 -0.084 0.000 0.983 554 K HN 0.780 nan 8.250 nan 0.000 0.484 555 E N -0.073 120.064 120.200 -0.104 0.000 2.465 555 E HA 0.000 4.354 4.350 0.006 0.000 0.260 555 E C 0.826 177.359 176.600 -0.112 0.000 0.980 555 E CA 0.793 57.127 56.400 -0.110 0.000 0.927 555 E CB 0.083 29.731 29.700 -0.086 0.000 0.934 555 E HN 0.828 nan 8.360 nan 0.000 0.459 556 G N 2.686 111.407 108.800 -0.131 0.000 2.179 556 G HA2 -0.340 3.623 3.960 0.006 0.000 0.260 556 G HA3 -0.340 3.623 3.960 0.006 0.000 0.260 556 G C 0.382 175.190 174.900 -0.154 0.000 0.977 556 G CA 0.376 45.395 45.100 -0.134 0.000 0.641 556 G HN 0.683 nan 8.290 nan 0.000 0.533 557 S N -0.218 115.382 115.700 -0.167 0.000 2.593 557 S HA 0.561 5.034 4.470 0.006 0.000 0.269 557 S C 1.559 176.015 174.600 -0.240 0.000 1.334 557 S CA 0.116 58.206 58.200 -0.184 0.000 1.015 557 S CB 1.648 64.737 63.200 -0.184 0.000 0.912 557 S HN 1.085 nan 8.310 nan 0.000 0.541 558 L N 2.625 123.699 121.223 -0.248 0.000 2.013 558 L HA -0.104 4.239 4.340 0.006 0.000 0.212 558 L C 2.386 179.003 176.870 -0.421 0.000 1.073 558 L CA 1.795 56.446 54.840 -0.315 0.000 0.753 558 L CB -1.107 40.807 42.059 -0.243 0.000 0.890 558 L HN 0.728 nan 8.230 nan 0.000 0.432 559 V N -0.109 119.527 119.914 -0.462 0.000 2.295 559 V HA -0.312 3.812 4.120 0.006 0.000 0.246 559 V C 2.766 178.652 176.094 -0.347 0.000 1.049 559 V CA 1.802 63.837 62.300 -0.442 0.000 1.024 559 V CB -1.378 30.232 31.823 -0.355 0.000 0.648 559 V HN 0.629 nan 8.190 nan 0.000 0.447 560 A N -0.518 122.117 122.820 -0.308 0.000 1.969 560 A HA -0.211 4.113 4.320 0.006 0.000 0.218 560 A C 2.269 179.673 177.584 -0.302 0.000 1.169 560 A CA 1.839 53.700 52.037 -0.293 0.000 0.635 560 A CB -0.371 18.489 19.000 -0.234 0.000 0.810 560 A HN 0.576 nan 8.150 nan 0.000 0.445 561 K N -0.691 119.513 120.400 -0.327 0.000 2.103 561 K HA -0.011 4.312 4.320 0.006 0.000 0.204 561 K C 2.104 178.409 176.600 -0.492 0.000 1.052 561 K CA 1.129 57.187 56.287 -0.382 0.000 0.945 561 K CB -0.103 32.136 32.500 -0.435 0.000 0.722 561 K HN 0.347 nan 8.250 nan 0.000 0.443 562 R N 0.068 120.289 120.500 -0.465 0.000 2.236 562 R HA 0.089 4.432 4.340 0.006 0.000 0.208 562 R C 0.378 176.648 176.300 -0.050 0.000 1.036 562 R CA 0.586 56.469 56.100 -0.362 0.000 1.001 562 R CB 0.395 30.584 30.300 -0.184 0.000 0.896 562 R HN 0.003 nan 8.270 nan 0.000 0.464 563 A N 1.317 123.990 122.820 -0.245 0.000 3.204 563 A HA 0.298 4.621 4.320 0.006 0.000 0.327 563 A C -2.051 175.114 177.584 -0.698 0.000 0.998 563 A CA -1.226 50.493 52.037 -0.530 0.000 0.891 563 A CB 0.583 19.110 19.000 -0.788 0.000 1.061 563 A HN -0.079 nan 8.150 nan 0.000 0.478 564 P HA -0.171 nan 4.420 nan 0.000 0.219 564 P C 1.456 178.656 177.300 -0.167 0.000 1.146 564 P CA 1.105 64.087 63.100 -0.197 0.000 0.808 564 P CB -0.222 31.442 31.700 -0.060 0.000 0.779 565 W N 0.184 121.439 121.300 -0.074 0.000 2.465 565 W HA 0.199 4.863 4.660 0.005 0.000 0.268 565 W C 1.497 178.016 176.519 -0.000 0.000 1.242 565 W CA 0.662 57.976 57.345 -0.051 0.000 1.248 565 W CB -1.722 27.688 29.460 -0.082 0.000 1.118 565 W HN -0.084 nan 8.180 nan 0.000 0.587 566 A N 1.536 123.929 122.820 -0.710 0.000 2.167 566 A HA -0.068 4.255 4.320 0.006 0.000 0.214 566 A C 2.123 179.542 177.584 -0.275 0.000 1.151 566 A CA 1.467 53.136 52.037 -0.614 0.000 0.735 566 A CB -0.850 17.498 19.000 -1.087 0.000 0.802 566 A HN 0.313 nan 8.150 nan 0.000 0.467 567 S N -1.012 114.540 115.700 -0.247 0.000 2.527 567 S HA 0.078 4.551 4.470 0.006 0.000 0.222 567 S C 0.352 174.720 174.600 -0.387 0.000 0.985 567 S CA 0.065 58.093 58.200 -0.288 0.000 0.921 567 S CB -0.367 62.643 63.200 -0.317 0.000 0.772 567 S HN 0.653 nan 8.310 nan 0.000 0.529 568 H N -0.310 118.761 119.070 0.001 0.000 2.690 568 H HA 0.537 5.097 4.556 0.006 0.000 0.368 568 H C 0.553 175.938 175.328 0.095 0.000 1.150 568 H CA -0.426 55.656 56.048 0.056 0.000 1.174 568 H CB 1.904 31.686 29.762 0.033 0.000 1.684 568 H HN -0.028 nan 8.280 nan 0.000 0.538 569 S N 0.645 116.508 115.700 0.272 0.000 2.402 569 S HA 0.013 4.486 4.470 0.006 0.000 0.229 569 S C 0.445 175.109 174.600 0.107 0.000 1.021 569 S CA 0.584 58.915 58.200 0.219 0.000 0.974 569 S CB 0.320 63.760 63.200 0.400 0.000 0.800 569 S HN 0.244 nan 8.310 nan 0.000 0.484 570 V N 2.621 122.544 119.914 0.015 0.000 2.638 570 V HA 0.423 4.547 4.120 0.006 0.000 0.306 570 V C -1.120 174.857 176.094 -0.196 0.000 1.052 570 V CA -0.947 61.193 62.300 -0.267 0.000 0.885 570 V CB 2.048 33.447 31.823 -0.707 0.000 0.999 570 V HN 0.258 nan 8.190 nan 0.000 0.424 571 N N 3.210 121.788 118.700 -0.204 0.000 2.410 571 N HA 0.572 5.316 4.740 0.006 0.000 0.287 571 N C -1.452 173.986 175.510 -0.120 0.000 1.044 571 N CA -0.315 52.661 53.050 -0.124 0.000 0.881 571 N CB 2.773 41.282 38.487 0.038 0.000 1.405 571 N HN 0.340 nan 8.380 nan 0.000 0.490 572 V N 2.094 121.928 119.914 -0.134 0.000 2.444 572 V HA 0.509 4.633 4.120 0.006 0.000 0.294 572 V C 0.196 176.334 176.094 0.073 0.000 1.022 572 V CA -0.770 61.528 62.300 -0.004 0.000 0.850 572 V CB 1.648 33.496 31.823 0.041 0.000 0.992 572 V HN 0.485 nan 8.190 nan 0.000 0.426 573 V N 3.343 123.347 119.914 0.150 0.000 3.102 573 V HA 0.793 4.916 4.120 0.006 0.000 0.312 573 V C -2.930 173.223 176.094 0.098 0.000 1.135 573 V CA -3.065 59.310 62.300 0.125 0.000 1.022 573 V CB 2.210 34.133 31.823 0.168 0.000 1.056 573 V HN 0.620 nan 8.190 nan 0.000 0.436 574 P HA 0.161 nan 4.420 nan 0.000 0.269 574 P C -1.173 176.123 177.300 -0.007 0.000 1.209 574 P CA 0.193 63.320 63.100 0.046 0.000 0.776 574 P CB 0.031 31.746 31.700 0.025 0.000 0.876 575 Y N 3.547 123.813 120.300 -0.057 0.000 2.526 575 Y HA 0.168 4.721 4.550 0.005 0.000 0.330 575 Y C 0.256 176.078 175.900 -0.130 0.000 1.156 575 Y CA 0.816 58.853 58.100 -0.106 0.000 1.419 575 Y CB 0.336 38.746 38.460 -0.083 0.000 1.250 575 Y HN 0.245 nan 8.280 nan 0.000 0.540 576 K N 4.243 124.000 120.400 -1.071 0.000 2.482 576 K HA 0.232 4.556 4.320 0.006 0.000 0.257 576 K C -1.402 174.503 176.600 -1.158 0.000 0.969 576 K CA -1.185 54.603 56.287 -0.832 0.000 0.842 576 K CB 1.457 33.694 32.500 -0.439 0.000 1.359 576 K HN 0.598 nan 8.250 nan 0.000 0.441 577 D N 1.974 122.045 120.400 -0.548 0.000 2.423 577 D HA -0.007 4.636 4.640 0.006 0.000 0.238 577 D C 0.164 176.258 176.300 -0.343 0.000 1.142 577 D CA 0.816 54.628 54.000 -0.314 0.000 0.884 577 D CB 0.303 41.058 40.800 -0.074 0.000 1.199 577 D HN 0.506 nan 8.370 nan 0.000 0.438 578 N N 1.155 119.686 118.700 -0.282 0.000 2.747 578 N HA -0.237 4.507 4.740 0.006 0.000 0.249 578 N C -0.492 174.817 175.510 -0.335 0.000 1.107 578 N CA 0.487 53.375 53.050 -0.269 0.000 0.707 578 N CB -0.894 37.481 38.487 -0.187 0.000 1.054 578 N HN 0.451 nan 8.380 nan 0.000 0.555 579 R N 0.711 120.888 120.500 -0.539 0.000 3.785 579 R HA 0.328 4.672 4.340 0.006 0.000 0.255 579 R C 1.292 177.238 176.300 -0.589 0.000 1.485 579 R CA -0.194 55.389 56.100 -0.861 0.000 1.555 579 R CB 0.294 29.727 30.300 -1.446 0.000 1.362 579 R HN 0.222 nan 8.270 nan 0.000 0.702 580 L N 0.166 121.155 121.223 -0.390 0.000 2.269 580 L HA 0.165 4.509 4.340 0.006 0.000 0.200 580 L C -0.109 176.610 176.870 -0.251 0.000 1.069 580 L CA 0.684 55.192 54.840 -0.553 0.000 0.804 580 L CB 0.233 41.506 42.059 -1.310 0.000 0.987 580 L HN 0.305 nan 8.230 nan 0.000 0.468 581 Y N 0.601 121.071 120.300 0.283 0.000 2.402 581 Y HA 0.289 4.843 4.550 0.006 0.000 0.332 581 Y C -1.687 174.233 175.900 0.033 0.000 0.960 581 Y CA -3.327 54.838 58.100 0.107 0.000 1.228 581 Y CB 0.231 38.665 38.460 -0.043 0.000 1.120 581 Y HN -0.064 nan 8.280 nan 0.000 0.491 582 P HA -0.017 nan 4.420 nan 0.000 0.233 582 P C 0.541 177.723 177.300 -0.196 0.000 1.167 582 P CA 0.777 63.621 63.100 -0.427 0.000 0.770 582 P CB 0.575 31.959 31.700 -0.527 0.000 0.837 583 S N -0.592 115.121 115.700 0.021 0.000 2.582 583 S HA 0.478 4.952 4.470 0.006 0.000 0.234 583 S C 0.874 175.388 174.600 -0.144 0.000 0.961 583 S CA 0.318 58.610 58.200 0.153 0.000 0.953 583 S CB -0.312 63.124 63.200 0.395 0.000 0.800 583 S HN 0.490 nan 8.310 nan 0.000 0.471 584 G N 1.431 110.078 108.800 -0.255 0.000 2.663 584 G HA2 -0.149 3.815 3.960 0.006 0.000 0.686 584 G HA3 -0.149 3.815 3.960 0.006 0.000 0.686 584 G C -0.376 174.429 174.900 -0.157 0.000 1.288 584 G CA -0.430 44.477 45.100 -0.321 0.000 0.836 584 G HN 0.207 nan 8.290 nan 0.000 0.584 585 D N -0.057 120.237 120.400 -0.177 0.000 2.149 585 D HA 0.026 4.669 4.640 0.006 0.000 0.201 585 D C 0.825 176.813 176.300 -0.520 0.000 0.972 585 D CA 1.448 55.288 54.000 -0.268 0.000 0.835 585 D CB -0.005 40.611 40.800 -0.306 0.000 0.966 585 D HN 0.495 nan 8.370 nan 0.000 0.476 586 H N 0.216 119.252 119.070 -0.057 0.000 2.792 586 H HA 0.260 4.819 4.556 0.006 0.000 0.298 586 H C 0.830 176.140 175.328 -0.029 0.000 1.042 586 H CA -0.300 55.730 56.048 -0.029 0.000 1.300 586 H CB 1.787 31.543 29.762 -0.010 0.000 1.431 586 H HN -0.207 nan 8.280 nan 0.000 0.496 587 V N 4.027 123.981 119.914 0.067 0.000 2.426 587 V HA 0.006 4.129 4.120 0.006 0.000 0.242 587 V C -1.674 174.523 176.094 0.172 0.000 1.036 587 V CA 0.391 62.756 62.300 0.108 0.000 1.044 587 V CB -0.801 31.055 31.823 0.055 0.000 0.688 587 V HN 0.460 nan 8.190 nan 0.000 0.462 588 P HA 0.048 nan 4.420 nan 0.000 0.264 588 P C 0.255 177.669 177.300 0.189 0.000 1.183 588 P CA 0.799 63.959 63.100 0.101 0.000 0.763 588 P CB 0.133 31.852 31.700 0.032 0.000 0.807 589 Q N -1.713 118.230 119.800 0.238 0.000 2.305 589 Q HA -0.235 4.108 4.340 0.006 0.000 0.203 589 Q C -0.256 176.008 176.000 0.441 0.000 0.663 589 Q CA 0.568 56.575 55.803 0.340 0.000 1.389 589 Q CB -1.878 27.003 28.738 0.238 0.000 1.566 589 Q HN 0.530 nan 8.270 nan 0.000 0.755 590 W N 2.245 123.625 121.300 0.135 0.000 2.308 590 W HA 0.239 4.902 4.660 0.005 0.000 0.324 590 W C 1.277 177.695 176.519 -0.167 0.000 1.387 590 W CA 0.243 57.603 57.345 0.025 0.000 1.250 590 W CB 0.505 29.967 29.460 0.003 0.000 1.257 590 W HN 0.149 nan 8.180 nan 0.000 0.554 591 S N 3.617 118.868 115.700 -0.749 0.000 2.474 591 S HA 0.067 4.540 4.470 0.006 0.000 0.235 591 S C 1.641 175.441 174.600 -1.334 0.000 0.997 591 S CA 0.883 58.224 58.200 -1.431 0.000 0.949 591 S CB -0.451 62.167 63.200 -0.970 0.000 0.766 591 S HN 1.709 nan 8.310 nan 0.000 0.517 592 G N 0.734 108.239 108.800 -2.158 0.000 2.175 592 G HA2 -0.180 3.783 3.960 0.006 0.000 0.244 592 G HA3 -0.180 3.783 3.960 0.006 0.000 0.244 592 G C -0.453 173.821 174.900 -1.043 0.000 0.982 592 G CA 0.112 43.975 45.100 -2.061 0.000 0.641 592 G HN 0.579 nan 8.290 nan 0.000 0.527 593 D N 1.179 121.199 120.400 -0.634 0.000 2.225 593 D HA 0.554 5.197 4.640 0.006 0.000 0.248 593 D C 0.699 177.131 176.300 0.221 0.000 1.096 593 D CA 1.406 55.319 54.000 -0.145 0.000 0.863 593 D CB 1.329 42.059 40.800 -0.117 0.000 1.156 593 D HN 1.346 nan 8.370 nan 0.000 0.450 594 G N 0.231 109.153 108.800 0.204 0.000 2.375 594 G HA2 -0.071 3.892 3.960 0.006 0.000 0.663 594 G HA3 -0.071 3.892 3.960 0.006 0.000 0.663 594 G C -0.958 174.043 174.900 0.168 0.000 1.391 594 G CA -1.003 44.225 45.100 0.214 0.000 0.949 594 G HN 0.317 nan 8.290 nan 0.000 0.646 595 V N 2.259 122.208 119.914 0.059 0.000 2.276 595 V HA 0.569 4.692 4.120 0.006 0.000 0.249 595 V C 0.846 176.895 176.094 -0.075 0.000 1.160 595 V CA 0.623 62.922 62.300 -0.002 0.000 1.042 595 V CB -0.545 31.276 31.823 -0.004 0.000 1.224 595 V HN 0.983 nan 8.190 nan 0.000 0.496 596 R N 2.618 123.025 120.500 -0.155 0.000 2.764 596 R HA 0.839 5.182 4.340 0.006 0.000 0.270 596 R C 0.464 176.468 176.300 -0.494 0.000 1.014 596 R CA -0.081 55.828 56.100 -0.319 0.000 0.904 596 R CB 1.353 31.375 30.300 -0.462 0.000 1.236 596 R HN 0.721 nan 8.270 nan 0.000 0.466 597 G N 1.351 109.758 108.800 -0.653 0.000 2.582 597 G HA2 -0.433 3.531 3.960 0.006 0.000 0.288 597 G HA3 -0.433 3.531 3.960 0.006 0.000 0.288 597 G C 0.543 174.321 174.900 -1.870 0.000 1.247 597 G CA 0.803 45.209 45.100 -1.157 0.000 0.972 597 G HN 0.767 nan 8.290 nan 0.000 0.557 598 M N 0.511 119.261 119.600 -1.416 0.000 2.202 598 M HA -0.001 4.482 4.480 0.006 0.000 0.262 598 M C 2.379 178.393 176.300 -0.476 0.000 1.063 598 M CA 2.762 57.514 55.300 -0.914 0.000 1.097 598 M CB -0.523 31.844 32.600 -0.388 0.000 1.382 598 M HN 0.617 nan 8.290 nan 0.000 0.413 599 R N -0.414 119.872 120.500 -0.357 0.000 2.075 599 R HA -0.178 4.165 4.340 0.006 0.000 0.232 599 R C 2.240 178.443 176.300 -0.161 0.000 1.126 599 R CA 1.890 57.889 56.100 -0.169 0.000 0.963 599 R CB -0.366 29.893 30.300 -0.067 0.000 0.858 599 R HN 0.657 nan 8.270 nan 0.000 0.435 600 E N -0.415 119.628 120.200 -0.262 0.000 2.072 600 E HA -0.193 4.161 4.350 0.006 0.000 0.191 600 E C 1.402 178.028 176.600 0.043 0.000 0.985 600 E CA 1.275 57.605 56.400 -0.118 0.000 0.801 600 E CB -0.086 29.543 29.700 -0.118 0.000 0.750 600 E HN 0.420 nan 8.360 nan 0.000 0.452 601 W N 0.556 121.808 121.300 -0.080 0.000 2.388 601 W HA -0.024 4.639 4.660 0.005 0.000 0.294 601 W C 2.105 178.585 176.519 -0.064 0.000 1.212 601 W CA 0.202 57.497 57.345 -0.084 0.000 1.271 601 W CB -0.888 28.498 29.460 -0.123 0.000 1.126 601 W HN 0.163 nan 8.180 nan 0.000 0.535 602 I N 0.068 120.702 120.570 0.106 0.000 2.353 602 I HA -0.074 4.099 4.170 0.006 0.000 0.248 602 I C 2.142 178.278 176.117 0.032 0.000 1.119 602 I CA 1.388 62.714 61.300 0.043 0.000 1.417 602 I CB -1.089 36.904 38.000 -0.012 0.000 1.078 602 I HN 0.085 nan 8.210 nan 0.000 0.421 603 G N 2.298 111.113 108.800 0.025 0.000 2.611 603 G HA2 -0.430 3.534 3.960 0.006 0.000 0.301 603 G HA3 -0.430 3.534 3.960 0.006 0.000 0.301 603 G C 0.506 175.411 174.900 0.008 0.000 1.233 603 G CA 0.682 45.794 45.100 0.020 0.000 0.993 603 G HN 0.531 nan 8.290 nan 0.000 0.553 604 D N 1.270 121.677 120.400 0.011 0.000 2.328 604 D HA 0.376 5.020 4.640 0.006 0.000 0.226 604 D C 1.816 178.118 176.300 0.004 0.000 1.066 604 D CA 1.208 55.212 54.000 0.006 0.000 0.861 604 D CB -0.443 40.363 40.800 0.009 0.000 0.912 604 D HN 2.196 nan 8.370 nan 0.000 0.521 605 G N 0.230 109.032 108.800 0.003 0.000 2.184 605 G HA2 -0.365 3.598 3.960 0.006 0.000 0.264 605 G HA3 -0.365 3.598 3.960 0.006 0.000 0.264 605 G C 1.120 176.023 174.900 0.005 0.000 0.975 605 G CA 0.865 45.961 45.100 -0.005 0.000 0.642 605 G HN 0.722 nan 8.290 nan 0.000 0.536 606 S N -0.605 115.104 115.700 0.015 0.000 2.528 606 S HA 0.295 4.769 4.470 0.006 0.000 0.219 606 S C 0.698 175.316 174.600 0.029 0.000 0.985 606 S CA 0.462 58.675 58.200 0.022 0.000 0.914 606 S CB 0.409 63.621 63.200 0.021 0.000 0.776 606 S HN 0.421 nan 8.310 nan 0.000 0.526 607 E N 3.079 123.298 120.200 0.031 0.000 2.392 607 E HA 0.161 4.514 4.350 0.006 0.000 0.264 607 E C -0.265 176.362 176.600 0.045 0.000 1.024 607 E CA -0.132 56.290 56.400 0.037 0.000 0.903 607 E CB 0.316 30.038 29.700 0.037 0.000 0.963 607 E HN 0.473 nan 8.360 nan 0.000 0.432 608 N N 2.011 120.739 118.700 0.047 0.000 2.492 608 N HA -0.022 4.722 4.740 0.006 0.000 0.262 608 N C 0.428 175.977 175.510 0.066 0.000 1.202 608 N CA 0.234 53.319 53.050 0.057 0.000 0.926 608 N CB 0.241 38.758 38.487 0.050 0.000 1.078 608 N HN 0.513 nan 8.380 nan 0.000 0.454 609 I N -1.724 118.897 120.570 0.086 0.000 3.966 609 I HA 0.420 4.593 4.170 0.006 0.000 0.324 609 I C -0.366 175.807 176.117 0.093 0.000 1.517 609 I CA -0.518 60.841 61.300 0.099 0.000 1.117 609 I CB 0.278 38.357 38.000 0.130 0.000 1.190 609 I HN 0.248 nan 8.210 nan 0.000 0.466 610 D N 2.665 123.111 120.400 0.076 0.000 2.274 610 D HA 0.181 4.824 4.640 0.006 0.000 0.239 610 D C 0.236 176.545 176.300 0.015 0.000 1.104 610 D CA 0.095 54.124 54.000 0.049 0.000 0.840 610 D CB 0.595 41.442 40.800 0.078 0.000 1.100 610 D HN 0.259 nan 8.370 nan 0.000 0.477 611 N N 2.449 121.128 118.700 -0.035 0.000 2.681 611 N HA -0.214 4.529 4.740 0.006 0.000 0.259 611 N C -1.378 174.126 175.510 -0.010 0.000 1.066 611 N CA 1.205 54.235 53.050 -0.033 0.000 0.717 611 N CB -0.972 37.512 38.487 -0.005 0.000 0.885 611 N HN 0.523 nan 8.380 nan 0.000 0.547 612 T N -0.782 113.766 114.554 -0.009 0.000 2.648 612 T HA 0.318 4.672 4.350 0.006 0.000 0.304 612 T C -1.906 172.800 174.700 0.010 0.000 1.312 612 T CA -0.562 61.543 62.100 0.009 0.000 1.023 612 T CB 0.712 69.597 68.868 0.028 0.000 1.612 612 T HN 0.073 nan 8.240 nan 0.000 0.487 613 D N 2.393 122.807 120.400 0.023 0.000 2.316 613 D HA 0.473 5.116 4.640 0.006 0.000 0.245 613 D C 0.141 176.502 176.300 0.102 0.000 1.171 613 D CA 0.040 54.054 54.000 0.025 0.000 0.856 613 D CB 0.497 41.293 40.800 -0.008 0.000 1.090 613 D HN 0.615 nan 8.370 nan 0.000 0.476 614 I N -1.701 118.932 120.570 0.105 0.000 3.108 614 I HA 0.614 4.787 4.170 0.006 0.000 0.312 614 I C -1.162 175.059 176.117 0.172 0.000 1.095 614 I CA -1.167 60.220 61.300 0.145 0.000 1.000 614 I CB 1.965 40.053 38.000 0.147 0.000 1.229 614 I HN 0.016 nan 8.210 nan 0.000 0.454 615 L N 2.878 124.212 121.223 0.184 0.000 2.385 615 L HA 0.503 4.846 4.340 0.006 0.000 0.273 615 L C -1.424 175.590 176.870 0.241 0.000 0.990 615 L CA -0.423 54.511 54.840 0.158 0.000 0.821 615 L CB 2.391 44.542 42.059 0.154 0.000 1.279 615 L HN 0.565 nan 8.230 nan 0.000 0.412 616 F N 3.342 123.271 119.950 -0.034 0.000 2.403 616 F HA 0.538 5.068 4.527 0.005 0.000 0.355 616 F C -1.048 174.705 175.800 -0.078 0.000 1.119 616 F CA -0.442 57.581 58.000 0.039 0.000 1.007 616 F CB 0.758 39.767 39.000 0.014 0.000 1.194 616 F HN 0.168 nan 8.300 nan 0.000 0.443 617 F N 5.077 125.069 119.950 0.070 0.000 2.411 617 F HA 0.292 4.822 4.527 0.005 0.000 0.352 617 F C -0.334 175.548 175.800 0.137 0.000 1.123 617 F CA -0.669 57.412 58.000 0.136 0.000 1.044 617 F CB 0.998 40.066 39.000 0.115 0.000 1.135 617 F HN 0.451 nan 8.300 nan 0.000 0.461 618 H N 1.534 120.778 119.070 0.291 0.000 2.505 618 H HA 0.447 5.006 4.556 0.006 0.000 0.338 618 H C -0.928 174.627 175.328 0.378 0.000 1.057 618 H CA -0.612 55.585 56.048 0.248 0.000 1.202 618 H CB 1.320 31.243 29.762 0.269 0.000 1.466 618 H HN 0.504 nan 8.280 nan 0.000 0.499 619 T N 7.320 121.849 114.554 -0.042 0.000 2.767 619 T HA 0.431 4.785 4.350 0.006 0.000 0.288 619 T C -0.863 173.758 174.700 -0.131 0.000 0.963 619 T CA -0.297 61.849 62.100 0.077 0.000 1.019 619 T CB -0.278 68.731 68.868 0.235 0.000 0.923 619 T HN 0.491 nan 8.240 nan 0.000 0.468 620 F N 0.204 120.097 119.950 -0.095 0.000 2.715 620 F HA 0.951 5.481 4.527 0.006 0.000 0.318 620 F C 0.130 176.064 175.800 0.224 0.000 1.141 620 F CA -0.773 57.203 58.000 -0.039 0.000 0.950 620 F CB 1.081 40.011 39.000 -0.117 0.000 1.374 620 F HN 0.885 nan 8.300 nan 0.000 0.477 621 G N 0.360 109.301 108.800 0.235 0.000 2.373 621 G HA2 0.430 4.394 3.960 0.006 0.000 0.250 621 G HA3 0.430 4.394 3.960 0.006 0.000 0.250 621 G C -1.994 173.037 174.900 0.218 0.000 1.304 621 G CA -0.317 44.936 45.100 0.255 0.000 0.948 621 G HN 1.577 nan 8.290 nan 0.000 0.474 622 I N -2.915 117.778 120.570 0.205 0.000 3.095 622 I HA 0.850 5.023 4.170 0.006 0.000 0.310 622 I C -0.700 175.459 176.117 0.069 0.000 1.196 622 I CA -1.032 60.344 61.300 0.127 0.000 0.985 622 I CB 2.301 40.356 38.000 0.093 0.000 1.250 622 I HN 0.475 nan 8.210 nan 0.000 0.446 623 T N 1.373 115.922 114.554 -0.009 0.000 2.779 623 T HA 0.338 4.692 4.350 0.006 0.000 0.280 623 T C -1.004 173.536 174.700 -0.267 0.000 0.987 623 T CA -0.153 61.842 62.100 -0.175 0.000 0.966 623 T CB 0.202 68.980 68.868 -0.150 0.000 0.933 623 T HN 0.642 nan 8.240 nan 0.000 0.442 624 H N 2.834 121.536 119.070 -0.613 0.000 2.595 624 H HA 0.424 4.984 4.556 0.006 0.000 0.313 624 H C -1.167 173.724 175.328 -0.728 0.000 1.023 624 H CA -1.112 54.599 56.048 -0.561 0.000 1.218 624 H CB 0.314 29.694 29.762 -0.638 0.000 1.403 624 H HN 0.427 nan 8.280 nan 0.000 0.477 625 F N 6.708 126.744 119.950 0.144 0.000 2.313 625 F HA 0.283 4.814 4.527 0.006 0.000 0.369 625 F C -1.968 173.905 175.800 0.122 0.000 1.109 625 F CA -2.486 55.553 58.000 0.065 0.000 1.132 625 F CB 0.718 39.753 39.000 0.057 0.000 1.291 625 F HN 0.517 nan 8.300 nan 0.000 0.496 626 P HA 0.306 nan 4.420 nan 0.000 0.268 626 P C -0.744 176.652 177.300 0.160 0.000 1.208 626 P CA -0.088 63.068 63.100 0.092 0.000 0.777 626 P CB 0.880 32.568 31.700 -0.021 0.000 0.875 627 A N 3.325 126.249 122.820 0.173 0.000 2.527 627 A HA 0.611 4.935 4.320 0.006 0.000 0.293 627 A C -2.134 175.529 177.584 0.131 0.000 1.117 627 A CA -1.472 50.643 52.037 0.130 0.000 0.723 627 A CB 0.729 19.804 19.000 0.125 0.000 1.313 627 A HN 0.249 nan 8.150 nan 0.000 0.411 628 P HA -0.137 nan 4.420 nan 0.000 0.218 628 P C 0.739 178.140 177.300 0.168 0.000 1.146 628 P CA 1.449 64.636 63.100 0.145 0.000 0.813 628 P CB 0.257 32.026 31.700 0.115 0.000 0.778 629 E N -0.522 119.754 120.200 0.126 0.000 2.219 629 E HA -0.178 4.176 4.350 0.006 0.000 0.198 629 E C 1.260 177.926 176.600 0.111 0.000 0.998 629 E CA 1.119 57.580 56.400 0.102 0.000 0.818 629 E CB -0.748 28.996 29.700 0.074 0.000 0.741 629 E HN 0.343 nan 8.360 nan 0.000 0.477 630 D N -1.076 119.420 120.400 0.161 0.000 2.349 630 D HA 0.005 4.649 4.640 0.006 0.000 0.224 630 D C -0.324 176.101 176.300 0.207 0.000 1.029 630 D CA 0.385 54.490 54.000 0.175 0.000 0.879 630 D CB 0.116 41.074 40.800 0.262 0.000 0.906 630 D HN 0.062 nan 8.370 nan 0.000 0.528 631 F N 0.890 120.858 119.950 0.030 0.000 2.561 631 F HA 0.324 4.855 4.527 0.006 0.000 0.321 631 F C -1.760 174.050 175.800 0.016 0.000 1.065 631 F CA -2.327 55.683 58.000 0.017 0.000 0.934 631 F CB 2.168 41.193 39.000 0.043 0.000 1.215 631 F HN -0.313 nan 8.300 nan 0.000 0.471 632 P HA 0.062 nan 4.420 nan 0.000 0.241 632 P C -0.574 176.370 177.300 -0.593 0.000 1.191 632 P CA 0.789 63.128 63.100 -1.268 0.000 0.771 632 P CB 0.767 31.996 31.700 -0.785 0.000 0.929 636 A N 1.059 123.825 122.820 -0.091 0.000 2.546 636 A HA 0.330 4.654 4.320 0.006 0.000 0.243 636 A C 0.212 177.741 177.584 -0.092 0.000 1.063 636 A CA 0.511 52.492 52.037 -0.093 0.000 0.757 636 A CB 0.001 18.959 19.000 -0.071 0.000 0.991 636 A HN 0.556 nan 8.150 nan 0.000 0.503 637 E N 3.823 123.954 120.200 -0.115 0.000 2.151 637 E HA 0.467 4.821 4.350 0.006 0.000 0.275 637 E C -2.602 173.942 176.600 -0.093 0.000 0.936 637 E CA -2.253 54.078 56.400 -0.116 0.000 0.777 637 E CB 1.555 31.151 29.700 -0.173 0.000 1.108 637 E HN 0.506 nan 8.360 nan 0.000 0.401 638 P HA 0.331 nan 4.420 nan 0.000 0.286 638 P C -0.737 176.536 177.300 -0.045 0.000 1.261 638 P CA -0.279 62.785 63.100 -0.060 0.000 0.821 638 P CB 1.268 32.931 31.700 -0.062 0.000 1.013 639 I N 0.702 121.245 120.570 -0.044 0.000 2.686 639 I HA 0.541 4.714 4.170 0.006 0.000 0.295 639 I C 0.011 176.085 176.117 -0.071 0.000 1.114 639 I CA -0.519 60.770 61.300 -0.018 0.000 1.038 639 I CB 2.611 40.625 38.000 0.023 0.000 1.238 639 I HN 0.274 nan 8.210 nan 0.000 0.420 640 T N 5.634 120.135 114.554 -0.088 0.000 2.889 640 T HA 0.812 5.165 4.350 0.006 0.000 0.315 640 T C -1.777 172.790 174.700 -0.222 0.000 1.291 640 T CA -0.471 61.526 62.100 -0.172 0.000 1.028 640 T CB 1.561 70.350 68.868 -0.132 0.000 1.235 640 T HN 0.532 nan 8.240 nan 0.000 0.491 641 L N 1.083 122.125 121.223 -0.303 0.000 2.469 641 L HA 0.935 5.278 4.340 0.006 0.000 0.256 641 L C -1.134 175.607 176.870 -0.214 0.000 1.006 641 L CA -1.022 53.656 54.840 -0.269 0.000 0.832 641 L CB 2.168 43.978 42.059 -0.415 0.000 1.421 641 L HN 0.818 nan 8.230 nan 0.000 0.410 642 M N 1.930 121.446 119.600 -0.139 0.000 2.501 642 M HA 0.701 5.184 4.480 0.006 0.000 0.293 642 M C -2.180 174.097 176.300 -0.038 0.000 1.192 642 M CA -0.563 54.684 55.300 -0.089 0.000 0.886 642 M CB 2.390 34.957 32.600 -0.055 0.000 1.710 642 M HN 0.729 nan 8.290 nan 0.000 0.457 643 L N 4.408 125.648 121.223 0.028 0.000 2.319 643 L HA 0.597 4.940 4.340 0.006 0.000 0.281 643 L C -0.835 176.152 176.870 0.195 0.000 1.005 643 L CA -0.504 54.435 54.840 0.165 0.000 0.828 643 L CB 1.633 43.873 42.059 0.301 0.000 1.227 643 L HN 0.702 nan 8.230 nan 0.000 0.415 644 R N 4.107 124.606 120.500 -0.002 0.000 2.562 644 R HA 0.492 4.835 4.340 0.006 0.000 0.298 644 R C -2.631 173.284 176.300 -0.642 0.000 0.961 644 R CA -1.965 54.007 56.100 -0.213 0.000 0.881 644 R CB 1.746 31.981 30.300 -0.108 0.000 1.159 644 R HN 0.255 nan 8.270 nan 0.000 0.450 645 P HA 0.114 nan 4.420 nan 0.000 0.276 645 P C -0.940 176.157 177.300 -0.338 0.000 1.235 645 P CA -0.217 62.279 63.100 -1.006 0.000 0.772 645 P CB 0.841 32.147 31.700 -0.657 0.000 0.871 646 R N 3.078 123.465 120.500 -0.188 0.000 2.502 646 R HA 0.271 4.614 4.340 0.006 0.000 0.298 646 R C 0.523 176.852 176.300 0.048 0.000 1.018 646 R CA -0.649 55.396 56.100 -0.093 0.000 0.899 646 R CB 0.336 30.634 30.300 -0.004 0.000 1.181 646 R HN 0.674 nan 8.270 nan 0.000 0.444 647 H N 0.884 119.973 119.070 0.031 0.000 3.395 647 H HA -0.225 4.335 4.556 0.007 0.000 0.222 647 H C 0.755 176.086 175.328 0.005 0.000 1.099 647 H CA 1.254 57.316 56.048 0.023 0.000 1.182 647 H CB -1.160 28.604 29.762 0.004 0.000 1.188 647 H HN 0.542 nan 8.280 nan 0.000 0.317 648 F N 0.637 120.512 119.950 -0.126 0.000 2.149 648 F HA 0.113 4.644 4.527 0.006 0.000 0.294 648 F C 1.071 176.604 175.800 -0.445 0.000 1.095 648 F CA 0.834 58.638 58.000 -0.327 0.000 1.276 648 F CB 0.164 38.835 39.000 -0.549 0.000 1.023 648 F HN -0.063 nan 8.300 nan 0.000 0.480 649 F N -0.264 119.753 119.950 0.113 0.000 2.408 649 F HA 0.244 4.774 4.527 0.006 0.000 0.325 649 F C 1.694 177.463 175.800 -0.052 0.000 1.082 649 F CA -0.162 57.838 58.000 0.000 0.000 1.032 649 F CB 0.604 39.613 39.000 0.015 0.000 1.259 649 F HN -0.203 nan 8.300 nan 0.000 0.503 650 T N -3.078 111.545 114.554 0.115 0.000 3.081 650 T HA 0.219 4.573 4.350 0.006 0.000 0.250 650 T C -0.081 174.698 174.700 0.131 0.000 1.100 650 T CA 0.282 62.370 62.100 -0.020 0.000 1.038 650 T CB -0.599 68.050 68.868 -0.365 0.000 0.962 650 T HN 0.735 nan 8.240 nan 0.000 0.516 651 E N 0.131 120.407 120.200 0.126 0.000 2.429 651 E HA 0.293 4.646 4.350 0.006 0.000 0.280 651 E C -1.342 175.251 176.600 -0.011 0.000 1.068 651 E CA -1.227 55.214 56.400 0.069 0.000 0.837 651 E CB 0.052 29.787 29.700 0.059 0.000 1.357 651 E HN -0.109 nan 8.360 nan 0.000 0.455 652 N N 2.147 120.800 118.700 -0.079 0.000 2.332 652 N HA -0.025 4.718 4.740 0.006 0.000 0.274 652 N C -1.333 174.061 175.510 -0.193 0.000 1.351 652 N CA -1.081 51.877 53.050 -0.152 0.000 0.875 652 N CB 0.639 38.990 38.487 -0.228 0.000 1.140 652 N HN 0.399 nan 8.380 nan 0.000 0.489 653 P HA 0.041 nan 4.420 nan 0.000 0.237 653 P C 0.747 177.949 177.300 -0.164 0.000 1.178 653 P CA 0.594 63.422 63.100 -0.453 0.000 0.766 653 P CB 0.082 31.055 31.700 -1.213 0.000 0.876 654 G N -0.307 108.475 108.800 -0.031 0.000 3.189 654 G HA2 0.073 4.036 3.960 0.006 0.000 0.225 654 G HA3 0.073 4.036 3.960 0.006 0.000 0.225 654 G C 1.264 176.318 174.900 0.258 0.000 1.159 654 G CA -0.163 45.029 45.100 0.154 0.000 0.763 654 G HN 0.181 nan 8.290 nan 0.000 0.549 655 L N 1.045 122.320 121.223 0.088 0.000 2.362 655 L HA 0.008 4.351 4.340 0.006 0.000 0.219 655 L C 2.008 178.947 176.870 0.116 0.000 1.134 655 L CA 0.997 55.873 54.840 0.061 0.000 0.807 655 L CB -0.042 41.959 42.059 -0.096 0.000 0.927 655 L HN 0.250 nan 8.230 nan 0.000 0.447 656 D N -0.095 120.371 120.400 0.110 0.000 2.340 656 D HA 0.005 4.649 4.640 0.006 0.000 0.220 656 D C 0.690 177.034 176.300 0.075 0.000 1.039 656 D CA 0.017 54.074 54.000 0.095 0.000 0.866 656 D CB -0.216 40.663 40.800 0.132 0.000 0.913 656 D HN 0.214 nan 8.370 nan 0.000 0.523 657 I N 1.660 122.287 120.570 0.095 0.000 2.496 657 I HA -0.021 4.152 4.170 0.006 0.000 0.285 657 I C 0.756 176.909 176.117 0.061 0.000 1.080 657 I CA -0.481 60.852 61.300 0.054 0.000 1.404 657 I CB 0.668 38.688 38.000 0.034 0.000 1.403 657 I HN -0.206 nan 8.210 nan 0.000 0.539 658 Q N 7.069 126.887 119.800 0.029 0.000 2.247 658 Q HA 0.125 4.468 4.340 0.006 0.000 0.288 658 Q C -2.105 173.911 176.000 0.026 0.000 1.079 658 Q CA -1.272 54.548 55.803 0.028 0.000 0.932 658 Q CB -0.011 28.736 28.738 0.015 0.000 1.133 658 Q HN 0.315 nan 8.270 nan 0.000 0.377 659 P HA 0.012 nan 4.420 nan 0.000 0.268 659 P C 0.330 177.651 177.300 0.035 0.000 1.208 659 P CA 0.148 63.272 63.100 0.041 0.000 0.777 659 P CB 0.674 32.408 31.700 0.057 0.000 0.875 660 S N -0.099 115.627 115.700 0.044 0.000 2.428 660 S HA -0.027 4.446 4.470 0.006 0.000 0.230 660 S C 0.083 174.781 174.600 0.163 0.000 1.014 660 S CA 1.049 59.293 58.200 0.073 0.000 0.957 660 S CB -0.406 62.825 63.200 0.052 0.000 0.784 660 S HN 0.580 nan 8.310 nan 0.000 0.499 661 Y N -0.091 120.215 120.300 0.011 0.000 2.442 661 Y HA 0.555 5.109 4.550 0.006 0.000 0.330 661 Y C -1.544 174.374 175.900 0.031 0.000 1.100 661 Y CA -1.185 56.926 58.100 0.018 0.000 1.034 661 Y CB 0.925 39.394 38.460 0.014 0.000 1.285 661 Y HN -0.064 nan 8.280 nan 0.000 0.440 662 A N 6.079 128.541 122.820 -0.596 0.000 2.437 662 A HA 0.773 5.096 4.320 0.006 0.000 0.293 662 A C -1.935 175.295 177.584 -0.590 0.000 1.038 662 A CA -0.529 51.259 52.037 -0.416 0.000 0.708 662 A CB 1.349 20.250 19.000 -0.165 0.000 1.251 662 A HN 0.720 nan 8.150 nan 0.000 0.409 663 M N 2.835 122.200 119.600 -0.392 0.000 2.165 663 M HA 0.505 4.988 4.480 0.006 0.000 0.283 663 M C 0.120 176.371 176.300 -0.082 0.000 0.978 663 M CA -0.042 55.121 55.300 -0.229 0.000 0.948 663 M CB 1.740 34.255 32.600 -0.142 0.000 1.599 663 M HN 0.920 nan 8.290 nan 0.000 0.450 664 T N 0.647 115.163 114.554 -0.064 0.000 2.816 664 T HA 0.369 4.723 4.350 0.006 0.000 0.282 664 T C 0.885 175.572 174.700 -0.022 0.000 0.993 664 T CA -0.075 62.006 62.100 -0.033 0.000 0.994 664 T CB 0.625 69.474 68.868 -0.032 0.000 1.025 664 T HN 0.694 nan 8.240 nan 0.000 0.529 665 T N 1.433 115.974 114.554 -0.021 0.000 2.720 665 T HA -0.152 4.202 4.350 0.006 0.000 0.268 665 T C 2.395 177.081 174.700 -0.023 0.000 1.037 665 T CA 1.988 64.073 62.100 -0.026 0.000 1.144 665 T CB -0.768 68.079 68.868 -0.035 0.000 0.864 665 T HN 0.879 nan 8.240 nan 0.000 0.444 666 S N 1.813 117.500 115.700 -0.022 0.000 2.368 666 S HA -0.140 4.333 4.470 0.006 0.000 0.225 666 S C 1.898 176.488 174.600 -0.017 0.000 1.030 666 S CA 1.191 59.379 58.200 -0.020 0.000 0.999 666 S CB -0.512 62.677 63.200 -0.019 0.000 0.844 666 S HN 0.586 nan 8.310 nan 0.000 0.459 667 E N 1.875 122.063 120.200 -0.020 0.000 2.077 667 E HA -0.055 4.298 4.350 0.006 0.000 0.193 667 E C 2.438 179.034 176.600 -0.007 0.000 0.989 667 E CA 1.030 57.419 56.400 -0.018 0.000 0.800 667 E CB -0.466 29.215 29.700 -0.033 0.000 0.746 667 E HN 0.718 nan 8.360 nan 0.000 0.452 668 A N 1.506 124.324 122.820 -0.004 0.000 1.933 668 A HA -0.233 4.091 4.320 0.006 0.000 0.218 668 A C 1.920 179.505 177.584 0.002 0.000 1.175 668 A CA 1.535 53.578 52.037 0.009 0.000 0.628 668 A CB -0.257 18.748 19.000 0.010 0.000 0.814 668 A HN 0.056 nan 8.150 nan 0.000 0.444 669 K N -0.845 119.551 120.400 -0.007 0.000 2.155 669 K HA -0.015 4.308 4.320 0.006 0.000 0.203 669 K C 2.186 178.783 176.600 -0.005 0.000 1.052 669 K CA 1.069 57.351 56.287 -0.009 0.000 0.948 669 K CB -0.113 32.379 32.500 -0.014 0.000 0.728 669 K HN 0.334 nan 8.250 nan 0.000 0.448 670 R N 0.331 120.828 120.500 -0.004 0.000 2.189 670 R HA 0.007 4.351 4.340 0.006 0.000 0.223 670 R C 1.974 178.275 176.300 0.002 0.000 1.092 670 R CA 0.822 56.921 56.100 -0.003 0.000 0.989 670 R CB -0.066 30.231 30.300 -0.005 0.000 0.876 670 R HN 0.149 nan 8.270 nan 0.000 0.457 671 A N 0.767 123.591 122.820 0.007 0.000 2.168 671 A HA 0.077 4.400 4.320 0.006 0.000 0.215 671 A C 0.745 178.335 177.584 0.010 0.000 1.152 671 A CA 0.325 52.369 52.037 0.013 0.000 0.716 671 A CB -0.117 18.897 19.000 0.023 0.000 0.794 671 A HN 0.068 nan 8.150 nan 0.000 0.465 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.123 4.120 0.006 0.000 0.244 672 V CA 0.000 62.301 62.300 0.002 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556