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 3ooq_1_A DATA FIRST_RESID 6 DATA SEQUENCE KILFKNATVF PITSRPFKGD VLVSNGKVEK VGENIEDPDA EIVDLTGKFL DATA SEQUENCE FPGFVDAHSH IGLFEEGVGY YYSDGNEATD PVTPHVKALD GFNPQDPAIE DATA SEQUENCE RALAGGVTSV XIVPGSANPV GGQGSVIKFR SIIVEECIVK DPAGLKXAFG DATA SEQUENCE ENPKRVYGER KQTPSTRXGT AGVIRDYFTK VKNYXKKKEL AQKEGKEFTE DATA SEQUENCE TDLKXEVGEX VLRKKIPARX HAHRADDILT AIRIAEEFGF NLVIEHGTEA DATA SEQUENCE YKISKVLAEK KIPVVVGPLL TFRTKLELKD LTXETIAKLL KDGVLIALXC DATA SEQUENCE DHPVIPLEFA TVQAATAXRY GAKEEDLLKI LTVNPAKILG LEDRIGSIEP DATA SEQUENCE GKDADLVVWS GHPFDXKSVV ERVYIDGVEV FRRE 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.541 176.600 -0.098 0.000 0.988 6 K CA 0.000 56.259 56.287 -0.046 0.000 0.838 6 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 7 I N 4.419 124.899 120.570 -0.149 0.000 2.436 7 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 7 I C -1.069 174.823 176.117 -0.375 0.000 1.010 7 I CA -1.172 59.929 61.300 -0.331 0.000 1.098 7 I CB 1.658 39.355 38.000 -0.504 0.000 1.266 7 I HN 0.371 nan 8.210 nan 0.000 0.434 8 L N 7.648 128.639 121.223 -0.386 0.000 2.295 8 L HA 0.538 4.878 4.340 -0.000 0.000 0.281 8 L C -1.235 175.439 176.870 -0.327 0.000 1.018 8 L CA -0.024 54.667 54.840 -0.248 0.000 0.841 8 L CB 0.429 42.416 42.059 -0.120 0.000 1.218 8 L HN 0.228 nan 8.230 nan 0.000 0.424 9 F N 4.592 124.500 119.950 -0.071 0.000 2.420 9 F HA 0.461 4.988 4.527 -0.000 0.000 0.352 9 F C 0.658 176.431 175.800 -0.046 0.000 1.108 9 F CA -0.199 57.761 58.000 -0.066 0.000 1.162 9 F CB 0.752 39.697 39.000 -0.092 0.000 1.118 9 F HN 0.273 nan 8.300 nan 0.000 0.510 10 K N 2.323 122.796 120.400 0.121 0.000 2.292 10 K HA 0.214 4.534 4.320 -0.000 0.000 0.257 10 K C 0.178 176.800 176.600 0.036 0.000 0.940 10 K CA -0.681 55.641 56.287 0.057 0.000 0.811 10 K CB 1.646 34.161 32.500 0.025 0.000 1.120 10 K HN 0.808 nan 8.250 nan 0.000 0.428 11 N N 0.460 119.162 118.700 0.003 0.000 2.782 11 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 11 N C -0.612 174.854 175.510 -0.073 0.000 1.101 11 N CA 0.307 53.340 53.050 -0.029 0.000 0.764 11 N CB -0.270 38.212 38.487 -0.009 0.000 1.122 11 N HN 0.739 nan 8.380 nan 0.000 0.561 12 A N 0.001 122.759 122.820 -0.103 0.000 2.313 12 A HA 0.449 4.769 4.320 -0.000 0.000 0.261 12 A C 0.456 177.846 177.584 -0.323 0.000 1.090 12 A CA 0.328 52.262 52.037 -0.171 0.000 0.807 12 A CB 0.476 19.397 19.000 -0.132 0.000 1.055 12 A HN 0.279 nan 8.150 nan 0.000 0.492 13 T N 1.770 116.056 114.554 -0.448 0.000 2.738 13 T HA 0.392 4.742 4.350 -0.000 0.000 0.294 13 T C -0.079 174.360 174.700 -0.435 0.000 0.914 13 T CA -0.046 61.725 62.100 -0.549 0.000 1.052 13 T CB -0.146 68.231 68.868 -0.819 0.000 0.897 13 T HN 0.380 nan 8.240 nan 0.000 0.522 14 V N 4.755 124.283 119.914 -0.644 0.000 2.465 14 V HA 0.387 4.507 4.120 -0.000 0.000 0.279 14 V C -0.299 175.444 176.094 -0.586 0.000 1.045 14 V CA -0.662 61.265 62.300 -0.622 0.000 0.938 14 V CB 0.669 31.912 31.823 -0.968 0.000 0.986 14 V HN 0.743 nan 8.190 nan 0.000 0.467 15 F N 6.660 126.220 119.950 -0.650 0.000 2.310 15 F HA 0.412 4.939 4.527 -0.000 0.000 0.365 15 F C -1.557 174.028 175.800 -0.358 0.000 1.080 15 F CA -2.206 55.421 58.000 -0.623 0.000 1.187 15 F CB 1.510 39.687 39.000 -1.371 0.000 1.465 15 F HN 0.408 nan 8.300 nan 0.000 0.496 16 P HA -0.069 nan 4.420 nan 0.000 0.233 16 P C 1.147 178.478 177.300 0.051 0.000 1.167 16 P CA 0.798 63.910 63.100 0.019 0.000 0.770 16 P CB 0.652 32.401 31.700 0.082 0.000 0.837 17 I N -2.544 118.071 120.570 0.074 0.000 4.300 17 I HA -0.330 3.840 4.170 -0.000 0.000 0.079 17 I C 1.554 177.723 176.117 0.087 0.000 0.562 17 I CA 2.510 63.882 61.300 0.119 0.000 1.126 17 I CB -2.984 35.108 38.000 0.153 0.000 1.002 17 I HN 0.164 nan 8.210 nan 0.000 0.174 18 T N -1.529 113.064 114.554 0.065 0.000 3.113 18 T HA 0.292 4.642 4.350 -0.000 0.000 0.256 18 T C 0.757 175.475 174.700 0.030 0.000 1.131 18 T CA 1.026 63.155 62.100 0.048 0.000 1.074 18 T CB 0.217 69.108 68.868 0.039 0.000 0.944 18 T HN 0.372 nan 8.240 nan 0.000 0.516 19 S N 0.767 116.484 115.700 0.028 0.000 2.627 19 S HA 0.553 5.023 4.470 -0.000 0.000 0.283 19 S C -0.373 174.231 174.600 0.006 0.000 1.127 19 S CA -1.275 56.930 58.200 0.007 0.000 0.863 19 S CB 1.967 65.159 63.200 -0.013 0.000 1.121 19 S HN 0.628 nan 8.310 nan 0.000 0.479 20 R N 0.563 121.056 120.500 -0.013 0.000 2.734 20 R HA 0.311 4.651 4.340 -0.000 0.000 0.266 20 R C -2.821 173.434 176.300 -0.075 0.000 1.044 20 R CA -0.988 55.088 56.100 -0.040 0.000 1.128 20 R CB -0.997 29.284 30.300 -0.032 0.000 1.010 20 R HN 0.191 nan 8.270 nan 0.000 0.461 21 P HA 0.107 nan 4.420 nan 0.000 0.272 21 P C -1.039 176.145 177.300 -0.193 0.000 1.223 21 P CA -0.098 62.664 63.100 -0.563 0.000 0.784 21 P CB 0.288 31.183 31.700 -1.342 0.000 0.923 22 F N -1.670 118.059 119.950 -0.369 0.000 2.693 22 F HA 0.659 5.186 4.527 -0.000 0.000 0.309 22 F C -0.915 174.761 175.800 -0.205 0.000 1.129 22 F CA -1.842 56.021 58.000 -0.229 0.000 0.948 22 F CB 1.228 40.130 39.000 -0.164 0.000 1.315 22 F HN 0.044 nan 8.300 nan 0.000 0.447 23 K N 1.739 122.057 120.400 -0.137 0.000 2.285 23 K HA 0.741 5.061 4.320 -0.000 0.000 0.286 23 K C -0.108 176.461 176.600 -0.051 0.000 1.072 23 K CA 0.597 56.766 56.287 -0.197 0.000 0.913 23 K CB 0.640 33.088 32.500 -0.088 0.000 1.067 23 K HN 1.208 nan 8.250 nan 0.000 0.479 24 G N 2.583 111.253 108.800 -0.217 0.000 2.393 24 G HA2 0.222 4.182 3.960 -0.000 0.000 0.264 24 G HA3 0.222 4.182 3.960 -0.000 0.000 0.264 24 G C -1.707 173.178 174.900 -0.025 0.000 1.221 24 G CA -0.682 44.444 45.100 0.044 0.000 0.912 24 G HN 0.543 nan 8.290 nan 0.000 0.483 25 D N -0.701 119.771 120.400 0.119 0.000 2.601 25 D HA 0.660 5.300 4.640 -0.000 0.000 0.230 25 D C -0.891 175.487 176.300 0.131 0.000 1.106 25 D CA -0.268 53.789 54.000 0.095 0.000 0.873 25 D CB 2.436 43.289 40.800 0.089 0.000 1.515 25 D HN 0.338 nan 8.370 nan 0.000 0.468 26 V N 1.681 121.680 119.914 0.143 0.000 2.569 26 V HA 0.309 4.429 4.120 -0.000 0.000 0.301 26 V C -0.865 175.341 176.094 0.186 0.000 1.044 26 V CA -0.789 61.603 62.300 0.153 0.000 0.874 26 V CB 2.012 33.897 31.823 0.102 0.000 1.002 26 V HN 0.350 nan 8.190 nan 0.000 0.424 27 L N 6.465 127.754 121.223 0.109 0.000 2.295 27 L HA 0.764 5.104 4.340 -0.000 0.000 0.285 27 L C -0.556 176.354 176.870 0.067 0.000 1.035 27 L CA 0.107 54.984 54.840 0.062 0.000 0.806 27 L CB 1.714 43.789 42.059 0.026 0.000 1.214 27 L HN 0.446 nan 8.230 nan 0.000 0.426 28 V N 4.464 124.407 119.914 0.048 0.000 2.495 28 V HA 0.812 4.932 4.120 -0.000 0.000 0.298 28 V C -0.408 175.693 176.094 0.013 0.000 1.031 28 V CA -0.145 62.185 62.300 0.050 0.000 0.871 28 V CB 1.736 33.616 31.823 0.095 0.000 0.988 28 V HN 0.970 nan 8.190 nan 0.000 0.432 29 S N 2.311 118.023 115.700 0.019 0.000 2.556 29 S HA 0.525 4.995 4.470 -0.000 0.000 0.271 29 S C -0.256 174.356 174.600 0.020 0.000 1.135 29 S CA -0.687 57.520 58.200 0.013 0.000 0.858 29 S CB 1.325 64.528 63.200 0.004 0.000 1.114 29 S HN 0.849 nan 8.310 nan 0.000 0.468 30 N N 0.649 119.361 118.700 0.020 0.000 2.721 30 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 30 N C 0.863 176.390 175.510 0.029 0.000 1.072 30 N CA 0.667 53.730 53.050 0.022 0.000 0.710 30 N CB -1.458 37.039 38.487 0.016 0.000 0.993 30 N HN 1.787 nan 8.380 nan 0.000 0.547 31 G N -1.104 107.719 108.800 0.039 0.000 2.162 31 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 31 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 31 G C -0.004 174.923 174.900 0.045 0.000 0.976 31 G CA 1.061 46.190 45.100 0.048 0.000 0.655 31 G HN 0.503 nan 8.290 nan 0.000 0.533 32 K N -0.865 119.558 120.400 0.038 0.000 2.400 32 K HA 0.654 4.974 4.320 -0.000 0.000 0.246 32 K C -0.006 176.616 176.600 0.036 0.000 0.995 32 K CA -1.019 55.288 56.287 0.033 0.000 0.840 32 K CB 2.652 35.166 32.500 0.025 0.000 1.293 32 K HN 0.007 nan 8.250 nan 0.000 0.445 33 V N 2.496 122.430 119.914 0.033 0.000 2.439 33 V HA -0.015 4.105 4.120 -0.000 0.000 0.271 33 V C 1.171 177.283 176.094 0.030 0.000 1.040 33 V CA 0.514 62.835 62.300 0.036 0.000 1.002 33 V CB 0.778 32.618 31.823 0.029 0.000 1.000 33 V HN 0.842 nan 8.190 nan 0.000 0.477 34 E N 4.152 124.371 120.200 0.032 0.000 2.079 34 E HA 0.126 4.476 4.350 -0.000 0.000 0.191 34 E C 0.323 176.936 176.600 0.021 0.000 0.961 34 E CA 0.609 57.022 56.400 0.022 0.000 0.823 34 E CB 0.476 30.186 29.700 0.017 0.000 0.789 34 E HN 0.617 nan 8.360 nan 0.000 0.459 35 K N 0.272 120.690 120.400 0.030 0.000 2.498 35 K HA 0.406 4.726 4.320 -0.000 0.000 0.254 35 K C -1.581 175.050 176.600 0.052 0.000 0.933 35 K CA -0.624 55.679 56.287 0.028 0.000 0.806 35 K CB 2.990 35.502 32.500 0.020 0.000 1.301 35 K HN -0.140 nan 8.250 nan 0.000 0.432 36 V N 0.605 120.548 119.914 0.049 0.000 2.656 36 V HA 0.926 5.046 4.120 -0.000 0.000 0.307 36 V C 0.051 176.173 176.094 0.046 0.000 1.051 36 V CA -0.703 61.660 62.300 0.105 0.000 0.893 36 V CB 1.562 33.455 31.823 0.117 0.000 0.999 36 V HN 1.014 nan 8.190 nan 0.000 0.426 37 G N 2.120 110.996 108.800 0.127 0.000 2.325 37 G HA2 0.333 4.293 3.960 -0.000 0.000 0.297 37 G HA3 0.333 4.293 3.960 -0.000 0.000 0.297 37 G C -0.085 174.903 174.900 0.145 0.000 1.448 37 G CA 0.039 45.117 45.100 -0.037 0.000 0.838 37 G HN 0.643 nan 8.290 nan 0.000 0.579 38 E N -0.724 119.493 120.200 0.029 0.000 2.118 38 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 38 E C 0.739 177.398 176.600 0.098 0.000 0.992 38 E CA 1.371 57.846 56.400 0.125 0.000 0.804 38 E CB 0.035 29.750 29.700 0.025 0.000 0.741 38 E HN 0.420 nan 8.360 nan 0.000 0.458 39 N N -0.769 117.962 118.700 0.052 0.000 2.425 39 N HA 0.345 5.085 4.740 -0.000 0.000 0.289 39 N C -1.783 173.743 175.510 0.028 0.000 1.074 39 N CA -0.478 52.595 53.050 0.038 0.000 0.905 39 N CB 1.291 39.790 38.487 0.020 0.000 1.586 39 N HN -0.084 nan 8.380 nan 0.000 0.490 40 I N 1.587 122.175 120.570 0.029 0.000 2.569 40 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 40 I C -0.758 175.365 176.117 0.009 0.000 1.088 40 I CA -0.650 60.662 61.300 0.020 0.000 1.047 40 I CB 2.218 40.236 38.000 0.031 0.000 1.237 40 I HN 0.474 nan 8.210 nan 0.000 0.421 41 E N 4.164 124.365 120.200 0.002 0.000 2.207 41 E HA 0.516 4.866 4.350 -0.000 0.000 0.270 41 E C -1.299 175.295 176.600 -0.009 0.000 0.927 41 E CA -0.608 55.789 56.400 -0.005 0.000 0.799 41 E CB 2.148 31.845 29.700 -0.005 0.000 1.172 41 E HN 0.398 nan 8.360 nan 0.000 0.404 42 D N 2.687 123.078 120.400 -0.015 0.000 2.419 42 D HA 0.075 4.715 4.640 -0.000 0.000 0.219 42 D C -2.105 174.182 176.300 -0.022 0.000 1.349 42 D CA -1.220 52.769 54.000 -0.019 0.000 0.964 42 D CB 1.519 42.305 40.800 -0.024 0.000 1.463 42 D HN 0.232 nan 8.370 nan 0.000 0.573 43 P HA 0.018 nan 4.420 nan 0.000 0.226 43 P C 0.405 177.693 177.300 -0.021 0.000 1.153 43 P CA 0.691 63.780 63.100 -0.018 0.000 0.777 43 P CB 0.702 32.394 31.700 -0.013 0.000 0.794 44 D N -0.613 119.773 120.400 -0.023 0.000 2.407 44 D HA 0.165 4.805 4.640 -0.000 0.000 0.208 44 D C 0.840 177.120 176.300 -0.033 0.000 1.083 44 D CA 0.017 54.003 54.000 -0.024 0.000 0.844 44 D CB 0.375 41.164 40.800 -0.018 0.000 0.967 44 D HN 0.108 nan 8.370 nan 0.000 0.506 45 A N 1.221 124.016 122.820 -0.042 0.000 2.388 45 A HA 0.112 4.432 4.320 -0.000 0.000 0.257 45 A C 0.496 178.034 177.584 -0.076 0.000 1.095 45 A CA -0.250 51.749 52.037 -0.064 0.000 0.791 45 A CB 0.543 19.498 19.000 -0.076 0.000 1.029 45 A HN 0.014 nan 8.150 nan 0.000 0.489 46 E N 1.324 121.470 120.200 -0.092 0.000 2.366 46 E HA 0.250 4.600 4.350 -0.000 0.000 0.266 46 E C -0.646 175.863 176.600 -0.153 0.000 1.015 46 E CA -0.250 56.090 56.400 -0.100 0.000 0.906 46 E CB 0.285 29.931 29.700 -0.091 0.000 0.979 46 E HN 0.564 nan 8.360 nan 0.000 0.443 47 I N 2.860 123.359 120.570 -0.119 0.000 2.359 47 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 47 I C -1.295 174.749 176.117 -0.122 0.000 0.987 47 I CA -0.611 60.610 61.300 -0.132 0.000 1.225 47 I CB 1.716 39.671 38.000 -0.075 0.000 1.366 47 I HN 0.137 nan 8.210 nan 0.000 0.466 48 V N 6.246 126.058 119.914 -0.170 0.000 2.357 48 V HA 0.317 4.437 4.120 -0.000 0.000 0.284 48 V C -0.568 175.540 176.094 0.024 0.000 1.018 48 V CA -0.416 61.842 62.300 -0.070 0.000 0.841 48 V CB 1.234 32.989 31.823 -0.113 0.000 0.991 48 V HN 0.827 nan 8.190 nan 0.000 0.437 49 D N 4.906 125.333 120.400 0.045 0.000 2.339 49 D HA 0.254 4.894 4.640 -0.000 0.000 0.241 49 D C 0.348 176.699 176.300 0.086 0.000 1.183 49 D CA 0.025 54.057 54.000 0.053 0.000 0.859 49 D CB 1.084 41.905 40.800 0.034 0.000 1.067 49 D HN 0.455 nan 8.370 nan 0.000 0.484 50 L N 3.398 124.676 121.223 0.092 0.000 2.872 50 L HA 0.161 4.501 4.340 -0.000 0.000 0.245 50 L C 0.466 177.367 176.870 0.051 0.000 1.211 50 L CA -0.302 54.596 54.840 0.097 0.000 1.013 50 L CB 0.039 42.169 42.059 0.118 0.000 1.326 50 L HN 0.301 nan 8.230 nan 0.000 0.525 51 T N 1.103 115.681 114.554 0.040 0.000 2.800 51 T HA 0.135 4.485 4.350 -0.000 0.000 0.283 51 T C 1.297 176.020 174.700 0.040 0.000 0.999 51 T CA 1.241 63.354 62.100 0.023 0.000 1.176 51 T CB 0.517 69.400 68.868 0.025 0.000 0.973 51 T HN 0.704 nan 8.240 nan 0.000 0.519 52 G N 2.612 111.423 108.800 0.018 0.000 2.159 52 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.256 52 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.256 52 G C 0.195 175.177 174.900 0.137 0.000 0.977 52 G CA -0.007 45.132 45.100 0.063 0.000 0.652 52 G HN 0.592 nan 8.290 nan 0.000 0.531 53 K N -0.757 119.702 120.400 0.099 0.000 2.280 53 K HA 0.834 5.154 4.320 -0.000 0.000 0.234 53 K C -0.714 175.961 176.600 0.125 0.000 1.028 53 K CA -0.833 55.601 56.287 0.246 0.000 0.882 53 K CB 0.975 33.599 32.500 0.208 0.000 1.194 53 K HN 0.032 nan 8.250 nan 0.000 0.458 54 F N 0.513 120.571 119.950 0.181 0.000 2.532 54 F HA 0.426 4.953 4.527 -0.000 0.000 0.321 54 F C -0.371 175.562 175.800 0.222 0.000 1.089 54 F CA -1.061 57.065 58.000 0.211 0.000 0.926 54 F CB 1.364 40.545 39.000 0.302 0.000 1.168 54 F HN 0.112 nan 8.300 nan 0.000 0.459 55 L N 4.023 125.361 121.223 0.191 0.000 2.343 55 L HA 0.638 4.978 4.340 -0.000 0.000 0.278 55 L C -1.722 175.124 176.870 -0.041 0.000 0.996 55 L CA -0.359 54.522 54.840 0.068 0.000 0.831 55 L CB 0.522 42.492 42.059 -0.148 0.000 1.232 55 L HN 0.403 nan 8.230 nan 0.000 0.413 56 F N 5.525 125.494 119.950 0.032 0.000 2.579 56 F HA 0.726 5.253 4.527 -0.000 0.000 0.324 56 F C -1.952 173.789 175.800 -0.098 0.000 1.058 56 F CA -1.991 55.985 58.000 -0.040 0.000 0.944 56 F CB 1.554 40.462 39.000 -0.153 0.000 1.245 56 F HN 0.391 nan 8.300 nan 0.000 0.477 57 P HA 0.140 nan 4.420 nan 0.000 0.270 57 P C -0.200 177.027 177.300 -0.121 0.000 1.223 57 P CA -0.269 62.830 63.100 -0.002 0.000 0.785 57 P CB 0.401 32.123 31.700 0.036 0.000 0.923 58 G N 1.349 110.092 108.800 -0.096 0.000 2.432 58 G HA2 0.223 4.183 3.960 -0.000 0.000 0.239 58 G HA3 0.223 4.183 3.960 -0.000 0.000 0.239 58 G C -0.494 174.334 174.900 -0.120 0.000 1.291 58 G CA -0.290 44.725 45.100 -0.142 0.000 0.863 58 G HN 0.212 nan 8.290 nan 0.000 0.560 59 F N 0.332 120.357 119.950 0.126 0.000 2.450 59 F HA 0.367 4.894 4.527 -0.000 0.000 0.339 59 F C 0.664 176.504 175.800 0.066 0.000 1.146 59 F CA -0.609 57.454 58.000 0.105 0.000 1.267 59 F CB 1.382 40.455 39.000 0.122 0.000 1.178 59 F HN 0.132 nan 8.300 nan 0.000 0.585 60 V N 2.384 122.461 119.914 0.272 0.000 2.407 60 V HA 0.212 4.332 4.120 -0.000 0.000 0.291 60 V C -0.640 175.522 176.094 0.113 0.000 1.018 60 V CA -0.873 61.504 62.300 0.128 0.000 0.842 60 V CB 1.513 33.388 31.823 0.088 0.000 0.996 60 V HN 0.599 nan 8.190 nan 0.000 0.426 61 D N 3.958 124.407 120.400 0.081 0.000 2.359 61 D HA 0.425 5.065 4.640 -0.000 0.000 0.230 61 D C 0.761 177.090 176.300 0.048 0.000 1.118 61 D CA -0.232 53.814 54.000 0.077 0.000 0.844 61 D CB 2.196 43.055 40.800 0.098 0.000 1.059 61 D HN 0.612 nan 8.370 nan 0.000 0.493 62 A N 3.863 126.719 122.820 0.059 0.000 2.235 62 A HA -0.047 4.272 4.320 -0.000 0.000 0.208 62 A C 0.519 178.155 177.584 0.086 0.000 1.172 62 A CA 0.567 52.635 52.037 0.052 0.000 0.786 62 A CB -0.322 18.709 19.000 0.052 0.000 0.804 62 A HN 0.720 nan 8.150 nan 0.000 0.479 63 H N -1.427 117.622 119.070 -0.035 0.000 3.278 63 H HA 0.510 5.066 4.556 -0.000 0.000 0.326 63 H C -1.216 174.043 175.328 -0.114 0.000 1.113 63 H CA 0.169 56.173 56.048 -0.072 0.000 1.553 63 H CB 0.837 30.546 29.762 -0.087 0.000 1.997 63 H HN 0.095 nan 8.280 nan 0.000 0.456 64 S N 2.679 118.224 115.700 -0.258 0.000 2.556 64 S HA 0.282 4.752 4.470 -0.000 0.000 0.271 64 S C -0.744 173.669 174.600 -0.312 0.000 1.135 64 S CA -0.672 57.418 58.200 -0.183 0.000 0.858 64 S CB 0.976 64.188 63.200 0.019 0.000 1.114 64 S HN 0.795 nan 8.310 nan 0.000 0.468 65 H N 1.936 121.157 119.070 0.252 0.000 2.674 65 H HA 0.330 4.886 4.556 -0.000 0.000 0.274 65 H C 0.412 175.944 175.328 0.339 0.000 1.121 65 H CA -0.274 55.936 56.048 0.269 0.000 1.132 65 H CB 0.006 29.945 29.762 0.295 0.000 1.606 65 H HN 0.478 nan 8.280 nan 0.000 0.558 66 I N 1.068 121.848 120.570 0.351 0.000 2.815 66 I HA 0.019 4.189 4.170 -0.000 0.000 0.291 66 I C 1.417 177.699 176.117 0.274 0.000 1.209 66 I CA 1.719 63.119 61.300 0.167 0.000 1.431 66 I CB 0.385 38.258 38.000 -0.213 0.000 1.351 66 I HN 0.560 nan 8.210 nan 0.000 0.585 67 G N 5.386 114.221 108.800 0.058 0.000 2.347 67 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.247 67 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.247 67 G C 0.773 175.638 174.900 -0.059 0.000 1.037 67 G CA 0.578 45.514 45.100 -0.272 0.000 0.622 67 G HN 0.575 nan 8.290 nan 0.000 0.521 68 L N -1.161 120.176 121.223 0.189 0.000 2.249 68 L HA 0.427 4.767 4.340 -0.000 0.000 0.207 68 L C 1.000 177.978 176.870 0.180 0.000 1.090 68 L CA 0.529 55.481 54.840 0.186 0.000 0.802 68 L CB 0.166 42.377 42.059 0.252 0.000 0.947 68 L HN 0.228 nan 8.230 nan 0.000 0.453 69 F N 1.683 121.686 119.950 0.088 0.000 2.453 69 F HA 0.295 4.822 4.527 -0.000 0.000 0.358 69 F C 0.480 176.299 175.800 0.031 0.000 1.129 69 F CA -1.640 56.391 58.000 0.050 0.000 1.200 69 F CB 0.173 39.209 39.000 0.061 0.000 1.431 69 F HN -0.083 nan 8.300 nan 0.000 0.503 70 E N 3.258 123.631 120.200 0.288 0.000 2.465 70 E HA -0.066 4.284 4.350 -0.000 0.000 0.260 70 E C -0.171 176.541 176.600 0.186 0.000 0.980 70 E CA 0.126 56.615 56.400 0.149 0.000 0.927 70 E CB 0.594 30.310 29.700 0.028 0.000 0.934 70 E HN 0.712 nan 8.360 nan 0.000 0.459 71 E N 2.444 122.695 120.200 0.086 0.000 2.354 71 E HA 0.230 4.580 4.350 -0.000 0.000 0.269 71 E C 0.335 176.949 176.600 0.023 0.000 1.036 71 E CA 0.638 57.059 56.400 0.035 0.000 0.876 71 E CB 0.587 30.291 29.700 0.007 0.000 1.009 71 E HN 0.757 nan 8.360 nan 0.000 0.416 72 G N 2.224 111.036 108.800 0.021 0.000 2.137 72 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 72 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 72 G C 0.340 175.268 174.900 0.046 0.000 1.002 72 G CA 0.159 45.273 45.100 0.022 0.000 0.702 72 G HN 0.490 nan 8.290 nan 0.000 0.515 73 V N -1.087 118.883 119.914 0.093 0.000 3.245 73 V HA 0.669 4.789 4.120 -0.000 0.000 0.246 73 V C 1.223 177.493 176.094 0.293 0.000 1.487 73 V CA 1.741 64.120 62.300 0.131 0.000 1.154 73 V CB 0.796 32.643 31.823 0.040 0.000 0.971 73 V HN 2.252 nan 8.190 nan 0.000 0.443 74 G N -1.094 107.872 108.800 0.277 0.000 2.742 74 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 74 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 74 G C -0.294 174.777 174.900 0.285 0.000 1.220 74 G CA -0.114 45.165 45.100 0.298 0.000 0.783 74 G HN 0.061 nan 8.290 nan 0.000 0.646 75 Y N 0.264 120.693 120.300 0.216 0.000 2.241 75 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 75 Y C 2.646 178.464 175.900 -0.137 0.000 1.166 75 Y CA 2.696 60.827 58.100 0.051 0.000 1.203 75 Y CB -0.209 38.326 38.460 0.125 0.000 0.977 75 Y HN 0.760 nan 8.280 nan 0.000 0.529 76 Y N -1.037 119.223 120.300 -0.066 0.000 2.315 76 Y HA -0.286 4.264 4.550 -0.000 0.000 0.288 76 Y C 1.150 176.824 175.900 -0.378 0.000 1.154 76 Y CA 1.172 59.101 58.100 -0.284 0.000 1.229 76 Y CB -0.672 37.520 38.460 -0.446 0.000 0.980 76 Y HN 0.173 nan 8.280 nan 0.000 0.540 77 Y N -0.898 119.282 120.300 -0.199 0.000 2.466 77 Y HA 0.206 4.756 4.550 -0.000 0.000 0.272 77 Y C 1.494 177.193 175.900 -0.334 0.000 1.169 77 Y CA 0.225 58.154 58.100 -0.284 0.000 1.285 77 Y CB -0.415 37.971 38.460 -0.124 0.000 1.078 77 Y HN -0.117 nan 8.280 nan 0.000 0.523 78 S N 0.774 116.247 115.700 -0.378 0.000 2.549 78 S HA -0.043 4.427 4.470 -0.000 0.000 0.286 78 S C 0.704 175.138 174.600 -0.276 0.000 1.314 78 S CA -0.181 57.707 58.200 -0.520 0.000 1.062 78 S CB 0.275 62.885 63.200 -0.984 0.000 0.865 78 S HN 0.313 nan 8.310 nan 0.000 0.498 79 D N 3.534 123.836 120.400 -0.164 0.000 2.424 79 D HA 0.194 4.834 4.640 -0.000 0.000 0.220 79 D C 1.362 177.629 176.300 -0.055 0.000 1.150 79 D CA 0.124 54.069 54.000 -0.091 0.000 0.831 79 D CB 0.240 41.015 40.800 -0.041 0.000 0.981 79 D HN 0.721 nan 8.370 nan 0.000 0.500 80 G N 0.159 108.916 108.800 -0.071 0.000 2.838 80 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.210 80 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.210 80 G C 0.700 175.566 174.900 -0.057 0.000 1.153 80 G CA -0.052 45.030 45.100 -0.029 0.000 0.778 80 G HN 0.011 nan 8.290 nan 0.000 0.539 81 N N 0.727 119.382 118.700 -0.074 0.000 2.533 81 N HA 0.152 4.892 4.740 -0.000 0.000 0.289 81 N C -1.484 173.991 175.510 -0.058 0.000 1.103 81 N CA -0.446 52.567 53.050 -0.061 0.000 0.877 81 N CB 2.035 40.483 38.487 -0.065 0.000 1.419 81 N HN -0.047 nan 8.380 nan 0.000 0.517 82 E N 1.963 122.137 120.200 -0.044 0.000 1.972 82 E HA 0.231 4.581 4.350 -0.000 0.000 0.292 82 E C -0.123 176.485 176.600 0.012 0.000 1.193 82 E CA -0.309 56.072 56.400 -0.033 0.000 1.228 82 E CB -0.412 29.260 29.700 -0.047 0.000 1.167 82 E HN 0.538 nan 8.360 nan 0.000 0.479 83 A N 3.123 125.938 122.820 -0.009 0.000 3.117 83 A HA 0.158 4.478 4.320 -0.000 0.000 0.255 83 A C 0.945 178.536 177.584 0.012 0.000 1.583 83 A CA 0.226 52.260 52.037 -0.005 0.000 1.234 83 A CB -0.635 18.287 19.000 -0.129 0.000 1.076 83 A HN 0.424 nan 8.150 nan 0.000 0.653 84 T N -3.855 110.774 114.554 0.125 0.000 3.111 84 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 84 T C -0.421 174.397 174.700 0.196 0.000 0.983 84 T CA 0.150 62.326 62.100 0.126 0.000 0.900 84 T CB 0.210 69.109 68.868 0.052 0.000 1.132 84 T HN 0.297 nan 8.240 nan 0.000 0.531 85 D N 0.901 121.461 120.400 0.267 0.000 2.633 85 D HA 0.212 4.852 4.640 -0.000 0.000 0.198 85 D C -2.673 173.530 176.300 -0.161 0.000 1.273 85 D CA -1.253 52.766 54.000 0.031 0.000 0.830 85 D CB 2.294 43.100 40.800 0.010 0.000 1.771 85 D HN -0.195 nan 8.370 nan 0.000 0.547 86 P HA 0.019 nan 4.420 nan 0.000 0.230 86 P C 0.367 177.443 177.300 -0.372 0.000 1.158 86 P CA 0.352 63.003 63.100 -0.749 0.000 0.769 86 P CB 0.495 31.637 31.700 -0.930 0.000 0.807 87 V N 1.043 120.777 119.914 -0.299 0.000 2.320 87 V HA 0.183 4.303 4.120 -0.000 0.000 0.268 87 V C 0.538 176.505 176.094 -0.212 0.000 1.021 87 V CA -0.201 61.902 62.300 -0.329 0.000 0.813 87 V CB 0.801 32.405 31.823 -0.364 0.000 1.054 87 V HN 0.090 nan 8.190 nan 0.000 0.444 88 T N 0.728 115.183 114.554 -0.164 0.000 3.416 88 T HA 0.272 4.622 4.350 -0.000 0.000 0.245 88 T C -1.312 173.342 174.700 -0.077 0.000 1.081 88 T CA -1.315 60.771 62.100 -0.023 0.000 1.190 88 T CB 0.913 69.744 68.868 -0.060 0.000 1.068 88 T HN 0.409 nan 8.240 nan 0.000 0.580 89 P HA -0.167 nan 4.420 nan 0.000 0.222 89 P C 1.429 178.716 177.300 -0.023 0.000 1.147 89 P CA 1.167 64.193 63.100 -0.123 0.000 0.790 89 P CB -0.157 31.419 31.700 -0.207 0.000 0.780 90 H N 0.187 119.196 119.070 -0.101 0.000 2.524 90 H HA 0.048 4.604 4.556 -0.000 0.000 0.282 90 H C 0.872 176.174 175.328 -0.044 0.000 1.016 90 H CA 0.266 56.278 56.048 -0.060 0.000 1.270 90 H CB -1.614 28.115 29.762 -0.055 0.000 1.394 90 H HN 0.014 nan 8.280 nan 0.000 0.568 91 V N -0.149 119.396 119.914 -0.613 0.000 2.834 91 V HA 0.384 4.503 4.120 -0.000 0.000 0.301 91 V C -0.131 175.856 176.094 -0.178 0.000 1.066 91 V CA -0.993 61.061 62.300 -0.409 0.000 1.052 91 V CB 1.372 32.957 31.823 -0.398 0.000 1.021 91 V HN 0.186 nan 8.190 nan 0.000 0.480 92 K N 2.743 123.077 120.400 -0.109 0.000 2.426 92 K HA 0.698 5.018 4.320 -0.000 0.000 0.254 92 K C 0.850 177.436 176.600 -0.022 0.000 0.936 92 K CA -0.191 56.064 56.287 -0.053 0.000 0.801 92 K CB 2.052 34.532 32.500 -0.032 0.000 1.139 92 K HN 0.822 nan 8.250 nan 0.000 0.424 93 A N 2.886 125.703 122.820 -0.004 0.000 1.986 93 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 93 A C 1.895 179.523 177.584 0.072 0.000 1.171 93 A CA 1.515 53.578 52.037 0.042 0.000 0.640 93 A CB -0.424 18.603 19.000 0.045 0.000 0.811 93 A HN 0.753 nan 8.150 nan 0.000 0.451 94 L N -0.109 121.130 121.223 0.027 0.000 2.081 94 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 94 L C 1.071 177.996 176.870 0.091 0.000 1.080 94 L CA 2.353 57.215 54.840 0.036 0.000 0.754 94 L CB -0.383 41.670 42.059 -0.010 0.000 0.893 94 L HN 0.325 nan 8.230 nan 0.000 0.433 95 D N -1.018 119.415 120.400 0.055 0.000 2.349 95 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 95 D C 1.702 178.034 176.300 0.054 0.000 1.029 95 D CA 0.999 55.028 54.000 0.047 0.000 0.879 95 D CB 0.204 41.011 40.800 0.012 0.000 0.906 95 D HN 0.496 nan 8.370 nan 0.000 0.528 96 G N -0.408 108.443 108.800 0.085 0.000 3.228 96 G HA2 0.044 4.004 3.960 -0.000 0.000 0.245 96 G HA3 0.044 4.004 3.960 -0.000 0.000 0.245 96 G C -0.025 174.947 174.900 0.120 0.000 1.051 96 G CA -0.405 44.739 45.100 0.073 0.000 0.809 96 G HN 0.101 nan 8.290 nan 0.000 0.531 97 F N 2.365 122.328 119.950 0.022 0.000 2.438 97 F HA 0.529 5.056 4.527 -0.000 0.000 0.356 97 F C -0.231 175.588 175.800 0.032 0.000 1.099 97 F CA -1.417 56.606 58.000 0.039 0.000 1.185 97 F CB 1.035 40.062 39.000 0.044 0.000 1.115 97 F HN -0.015 nan 8.300 nan 0.000 0.526 98 N N 8.245 126.558 118.700 -0.645 0.000 2.501 98 N HA 0.368 5.107 4.740 -0.000 0.000 0.245 98 N C -2.288 172.754 175.510 -0.780 0.000 0.974 98 N CA -2.671 50.083 53.050 -0.494 0.000 0.941 98 N CB 1.414 39.728 38.487 -0.288 0.000 1.122 98 N HN 0.253 nan 8.380 nan 0.000 0.507 99 P HA -0.017 nan 4.420 nan 0.000 0.234 99 P C 0.124 177.330 177.300 -0.155 0.000 1.167 99 P CA 1.013 63.977 63.100 -0.227 0.000 0.763 99 P CB 0.284 32.069 31.700 0.141 0.000 0.835 100 Q N -0.897 118.801 119.800 -0.169 0.000 2.319 100 Q HA 0.051 4.391 4.340 -0.000 0.000 0.202 100 Q C 0.312 176.225 176.000 -0.145 0.000 0.896 100 Q CA -0.330 55.399 55.803 -0.123 0.000 0.942 100 Q CB -0.186 28.499 28.738 -0.088 0.000 1.083 100 Q HN 0.164 nan 8.270 nan 0.000 0.510 101 D N 2.598 122.877 120.400 -0.201 0.000 2.581 101 D HA -0.061 4.579 4.640 -0.000 0.000 0.238 101 D C -1.461 174.749 176.300 -0.150 0.000 1.145 101 D CA -1.329 52.569 54.000 -0.170 0.000 0.866 101 D CB 1.057 41.731 40.800 -0.210 0.000 1.151 101 D HN -0.024 nan 8.370 nan 0.000 0.500 102 P HA -0.104 nan 4.420 nan 0.000 0.222 102 P C 0.976 178.202 177.300 -0.124 0.000 1.147 102 P CA 1.022 64.062 63.100 -0.098 0.000 0.790 102 P CB -0.017 31.644 31.700 -0.065 0.000 0.780 103 A N -0.207 122.540 122.820 -0.122 0.000 2.024 103 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 103 A C 2.217 179.613 177.584 -0.312 0.000 1.164 103 A CA 1.251 53.198 52.037 -0.150 0.000 0.643 103 A CB -1.484 17.480 19.000 -0.058 0.000 0.806 103 A HN 0.175 nan 8.150 nan 0.000 0.451 104 I N -1.046 119.301 120.570 -0.372 0.000 2.286 104 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 104 I C 2.490 178.299 176.117 -0.512 0.000 1.104 104 I CA 1.638 62.561 61.300 -0.628 0.000 1.397 104 I CB -0.226 37.432 38.000 -0.570 0.000 1.072 104 I HN 0.506 nan 8.210 nan 0.000 0.417 105 E N 1.433 121.462 120.200 -0.285 0.000 2.110 105 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 105 E C 2.270 178.724 176.600 -0.244 0.000 0.988 105 E CA 1.288 57.583 56.400 -0.175 0.000 0.804 105 E CB 0.006 29.682 29.700 -0.040 0.000 0.745 105 E HN 0.267 nan 8.360 nan 0.000 0.458 106 R N 0.041 120.398 120.500 -0.239 0.000 2.081 106 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 106 R C 2.441 178.545 176.300 -0.327 0.000 1.131 106 R CA 1.232 57.176 56.100 -0.260 0.000 0.960 106 R CB -0.418 29.751 30.300 -0.219 0.000 0.856 106 R HN 0.269 nan 8.270 nan 0.000 0.436 107 A N 1.209 123.822 122.820 -0.345 0.000 1.877 107 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 107 A C 2.177 179.615 177.584 -0.243 0.000 1.186 107 A CA 1.122 52.993 52.037 -0.275 0.000 0.620 107 A CB -0.550 18.251 19.000 -0.331 0.000 0.822 107 A HN 0.176 nan 8.150 nan 0.000 0.443 108 L N -0.665 120.351 121.223 -0.344 0.000 2.042 108 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 108 L C 2.978 179.388 176.870 -0.767 0.000 1.076 108 L CA 1.140 55.741 54.840 -0.398 0.000 0.749 108 L CB -0.477 41.363 42.059 -0.366 0.000 0.893 108 L HN 0.436 nan 8.230 nan 0.000 0.432 109 A N -0.216 122.031 122.820 -0.955 0.000 2.178 109 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 109 A C 2.067 179.350 177.584 -0.501 0.000 1.157 109 A CA 1.429 52.902 52.037 -0.940 0.000 0.689 109 A CB -0.766 17.885 19.000 -0.582 0.000 0.787 109 A HN 0.472 nan 8.150 nan 0.000 0.465 110 G N -2.329 106.277 108.800 -0.323 0.000 3.233 110 G HA2 0.396 4.356 3.960 -0.000 0.000 0.234 110 G HA3 0.396 4.356 3.960 -0.000 0.000 0.234 110 G C 1.025 176.006 174.900 0.135 0.000 1.137 110 G CA 0.398 45.460 45.100 -0.064 0.000 0.763 110 G HN 1.513 nan 8.290 nan 0.000 0.549 111 G N -0.961 107.781 108.800 -0.098 0.000 2.141 111 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 111 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 111 G C 0.118 175.112 174.900 0.156 0.000 0.982 111 G CA 0.123 45.236 45.100 0.022 0.000 0.662 111 G HN 0.730 nan 8.290 nan 0.000 0.527 112 V N 1.371 121.399 119.914 0.190 0.000 2.407 112 V HA 0.628 4.748 4.120 -0.000 0.000 0.278 112 V C 1.363 177.599 176.094 0.238 0.000 1.037 112 V CA 0.661 63.120 62.300 0.266 0.000 0.900 112 V CB 1.351 33.355 31.823 0.302 0.000 0.983 112 V HN 0.646 nan 8.190 nan 0.000 0.459 113 T N -0.353 114.267 114.554 0.110 0.000 2.964 113 T HA 0.206 4.556 4.350 -0.000 0.000 0.249 113 T C 0.623 175.155 174.700 -0.280 0.000 1.000 113 T CA -0.031 62.073 62.100 0.007 0.000 0.992 113 T CB 0.435 69.304 68.868 0.003 0.000 1.087 113 T HN 0.472 nan 8.240 nan 0.000 0.489 114 S N 0.982 116.531 115.700 -0.250 0.000 2.538 114 S HA 0.800 5.270 4.470 -0.000 0.000 0.288 114 S C -0.653 173.782 174.600 -0.275 0.000 1.108 114 S CA -0.588 57.418 58.200 -0.322 0.000 0.971 114 S CB 2.252 65.360 63.200 -0.154 0.000 1.041 114 S HN 0.716 nan 8.310 nan 0.000 0.483 118 V N 4.993 124.885 119.914 -0.036 0.000 3.048 118 V HA 0.653 4.773 4.120 -0.000 0.000 0.303 118 V C -2.457 173.723 176.094 0.143 0.000 1.214 118 V CA -1.638 60.641 62.300 -0.036 0.000 0.984 118 V CB 3.190 34.859 31.823 -0.256 0.000 1.054 118 V HN 0.799 nan 8.190 nan 0.000 0.430 119 P HA 0.268 nan 4.420 nan 0.000 0.271 119 P C 0.167 177.560 177.300 0.154 0.000 1.238 119 P CA 0.451 63.609 63.100 0.096 0.000 0.794 119 P CB 0.475 32.189 31.700 0.024 0.000 0.959 120 G N -0.250 108.551 108.800 0.003 0.000 2.546 120 G HA2 0.292 4.252 3.960 -0.000 0.000 0.239 120 G HA3 0.292 4.252 3.960 -0.000 0.000 0.239 120 G C 0.363 175.281 174.900 0.030 0.000 1.476 120 G CA 0.063 45.135 45.100 -0.047 0.000 1.064 120 G HN 0.524 nan 8.290 nan 0.000 0.561 121 S N -1.554 114.111 115.700 -0.058 0.000 2.663 121 S HA 0.460 4.930 4.470 -0.000 0.000 0.243 121 S C 1.696 176.209 174.600 -0.145 0.000 1.009 121 S CA 0.752 58.819 58.200 -0.221 0.000 0.988 121 S CB 0.788 63.554 63.200 -0.723 0.000 0.896 121 S HN 0.824 nan 8.310 nan 0.000 0.502 122 A N 2.262 125.045 122.820 -0.061 0.000 1.933 122 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 122 A C 0.800 178.435 177.584 0.086 0.000 1.175 122 A CA 0.904 52.931 52.037 -0.015 0.000 0.628 122 A CB -0.403 18.577 19.000 -0.035 0.000 0.814 122 A HN 0.550 nan 8.150 nan 0.000 0.444 123 N N -0.927 117.808 118.700 0.058 0.000 2.430 123 N HA 0.389 5.129 4.740 -0.000 0.000 0.292 123 N C -2.272 173.197 175.510 -0.068 0.000 1.051 123 N CA -2.207 50.881 53.050 0.063 0.000 0.917 123 N CB 1.224 39.715 38.487 0.007 0.000 1.164 123 N HN -0.151 nan 8.380 nan 0.000 0.484 124 P HA -0.129 nan 4.420 nan 0.000 0.216 124 P C -0.210 176.947 177.300 -0.237 0.000 1.154 124 P CA 1.251 64.206 63.100 -0.241 0.000 0.865 124 P CB 0.413 31.958 31.700 -0.260 0.000 0.789 125 V N -0.851 118.914 119.914 -0.248 0.000 2.349 125 V HA 0.470 4.590 4.120 -0.000 0.000 0.284 125 V C 1.249 177.222 176.094 -0.201 0.000 1.014 125 V CA -0.019 62.120 62.300 -0.269 0.000 0.826 125 V CB 1.003 32.516 31.823 -0.517 0.000 1.009 125 V HN 0.049 nan 8.190 nan 0.000 0.431 126 G N 2.404 111.131 108.800 -0.122 0.000 2.719 126 G HA2 0.578 4.538 3.960 -0.000 0.000 0.211 126 G HA3 0.578 4.538 3.960 -0.000 0.000 0.211 126 G C 0.586 175.434 174.900 -0.086 0.000 1.140 126 G CA 0.538 45.590 45.100 -0.079 0.000 0.790 126 G HN 1.362 nan 8.290 nan 0.000 0.529 127 G N -0.993 107.753 108.800 -0.089 0.000 2.347 127 G HA2 0.158 4.118 3.960 -0.000 0.000 0.341 127 G HA3 0.158 4.118 3.960 -0.000 0.000 0.341 127 G C -1.304 173.566 174.900 -0.049 0.000 1.287 127 G CA -0.983 44.065 45.100 -0.088 0.000 0.984 127 G HN 0.336 nan 8.290 nan 0.000 0.526 128 Q N -0.424 119.347 119.800 -0.047 0.000 2.241 128 Q HA 0.565 4.905 4.340 -0.000 0.000 0.254 128 Q C 0.647 176.631 176.000 -0.025 0.000 0.917 128 Q CA -0.052 55.734 55.803 -0.027 0.000 0.919 128 Q CB 1.849 30.572 28.738 -0.025 0.000 1.237 128 Q HN 0.946 nan 8.270 nan 0.000 0.434 129 G N 0.683 109.468 108.800 -0.024 0.000 2.488 129 G HA2 0.601 4.561 3.960 -0.000 0.000 0.318 129 G HA3 0.601 4.561 3.960 -0.000 0.000 0.318 129 G C -0.814 174.056 174.900 -0.051 0.000 1.188 129 G CA -0.398 44.677 45.100 -0.042 0.000 0.944 129 G HN 0.488 nan 8.290 nan 0.000 0.495 130 S N -1.492 114.160 115.700 -0.080 0.000 2.541 130 S HA 0.463 4.933 4.470 -0.000 0.000 0.271 130 S C -0.650 173.872 174.600 -0.130 0.000 1.133 130 S CA -0.520 57.622 58.200 -0.096 0.000 0.876 130 S CB 1.993 65.125 63.200 -0.114 0.000 1.105 130 S HN 0.544 nan 8.310 nan 0.000 0.470 131 V N 3.577 123.420 119.914 -0.118 0.000 2.432 131 V HA 0.559 4.679 4.120 -0.000 0.000 0.275 131 V C 0.011 175.994 176.094 -0.186 0.000 1.043 131 V CA -0.363 61.852 62.300 -0.142 0.000 0.925 131 V CB 0.209 31.973 31.823 -0.098 0.000 0.985 131 V HN 0.785 nan 8.190 nan 0.000 0.466 132 I N 2.074 122.487 120.570 -0.262 0.000 3.042 132 I HA 0.748 4.918 4.170 -0.000 0.000 0.310 132 I C -0.628 175.273 176.117 -0.361 0.000 1.117 132 I CA -1.053 60.063 61.300 -0.307 0.000 1.003 132 I CB 2.309 40.040 38.000 -0.447 0.000 1.228 132 I HN 0.353 nan 8.210 nan 0.000 0.443 133 K N 1.967 122.186 120.400 -0.301 0.000 2.267 133 K HA 0.486 4.806 4.320 -0.000 0.000 0.246 133 K C -1.349 175.111 176.600 -0.234 0.000 0.954 133 K CA -0.671 55.413 56.287 -0.339 0.000 0.824 133 K CB 1.789 34.199 32.500 -0.150 0.000 1.167 133 K HN 0.420 nan 8.250 nan 0.000 0.431 134 F N 2.665 122.624 119.950 0.016 0.000 2.666 134 F HA 0.155 4.682 4.527 -0.000 0.000 0.362 134 F C 1.526 177.350 175.800 0.041 0.000 1.190 134 F CA -0.357 57.672 58.000 0.048 0.000 1.328 134 F CB -0.512 38.508 39.000 0.034 0.000 1.682 134 F HN 0.424 nan 8.300 nan 0.000 0.623 135 R N -1.344 119.259 120.500 0.172 0.000 2.365 135 R HA 0.343 4.683 4.340 -0.000 0.000 0.223 135 R C 0.309 176.670 176.300 0.101 0.000 0.899 135 R CA 0.051 56.220 56.100 0.114 0.000 1.059 135 R CB 0.643 30.984 30.300 0.068 0.000 1.086 135 R HN 0.257 nan 8.270 nan 0.000 0.522 136 S N 0.311 116.084 115.700 0.122 0.000 2.567 136 S HA 0.241 4.711 4.470 -0.000 0.000 0.270 136 S C 0.303 174.973 174.600 0.116 0.000 1.152 136 S CA -0.975 57.283 58.200 0.096 0.000 0.835 136 S CB 1.309 64.554 63.200 0.076 0.000 1.115 136 S HN 0.328 nan 8.310 nan 0.000 0.459 137 I N 0.847 121.465 120.570 0.080 0.000 3.428 137 I HA 0.444 4.614 4.170 -0.000 0.000 0.286 137 I C -0.134 176.032 176.117 0.081 0.000 1.287 137 I CA 0.421 61.764 61.300 0.072 0.000 1.396 137 I CB -0.173 37.847 38.000 0.034 0.000 1.062 137 I HN 0.394 nan 8.210 nan 0.000 0.471 138 I N 1.500 122.119 120.570 0.082 0.000 2.297 138 I HA 0.084 4.254 4.170 -0.000 0.000 0.291 138 I C 1.269 177.447 176.117 0.100 0.000 1.033 138 I CA -0.296 61.050 61.300 0.077 0.000 1.253 138 I CB 1.965 39.996 38.000 0.052 0.000 1.396 138 I HN -0.033 nan 8.210 nan 0.000 0.476 139 V N 7.025 127.017 119.914 0.131 0.000 2.469 139 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 139 V C 2.347 178.472 176.094 0.052 0.000 1.064 139 V CA 2.206 64.593 62.300 0.145 0.000 1.066 139 V CB -0.376 31.575 31.823 0.213 0.000 0.667 139 V HN 0.888 nan 8.190 nan 0.000 0.461 140 E N -0.340 119.886 120.200 0.044 0.000 2.153 140 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 140 E C 1.852 178.459 176.600 0.012 0.000 0.988 140 E CA 1.667 58.078 56.400 0.019 0.000 0.811 140 E CB -0.478 29.234 29.700 0.021 0.000 0.746 140 E HN 0.746 nan 8.360 nan 0.000 0.466 141 E N 0.046 120.261 120.200 0.024 0.000 2.274 141 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 141 E C 1.810 178.417 176.600 0.012 0.000 0.996 141 E CA 0.801 57.214 56.400 0.021 0.000 0.840 141 E CB -0.088 29.632 29.700 0.033 0.000 0.772 141 E HN 0.272 nan 8.360 nan 0.000 0.491 142 C N 0.776 120.081 119.300 0.008 0.000 2.481 142 C HA 0.110 4.570 4.460 -0.000 0.000 0.275 142 C C 1.224 176.165 174.990 -0.083 0.000 1.419 142 C CA -0.539 58.463 59.018 -0.027 0.000 1.773 142 C CB -0.636 27.094 27.740 -0.018 0.000 1.862 142 C HN 0.270 nan 8.230 nan 0.000 0.530 143 I N 1.428 121.956 120.570 -0.070 0.000 2.662 143 I HA -0.004 4.166 4.170 -0.000 0.000 0.285 143 I C 1.120 177.195 176.117 -0.069 0.000 1.161 143 I CA 0.287 61.538 61.300 -0.083 0.000 1.415 143 I CB 0.678 38.644 38.000 -0.057 0.000 1.385 143 I HN 0.039 nan 8.210 nan 0.000 0.552 144 V N 5.473 125.336 119.914 -0.085 0.000 2.581 144 V HA 0.085 4.205 4.120 -0.000 0.000 0.240 144 V C 0.657 176.721 176.094 -0.049 0.000 1.054 144 V CA 0.821 63.084 62.300 -0.063 0.000 1.076 144 V CB -0.113 31.666 31.823 -0.073 0.000 0.748 144 V HN 0.682 nan 8.190 nan 0.000 0.474 145 K N 0.676 121.041 120.400 -0.058 0.000 2.581 145 K HA 0.469 4.789 4.320 -0.000 0.000 0.249 145 K C -2.218 174.354 176.600 -0.046 0.000 0.966 145 K CA -0.353 55.910 56.287 -0.041 0.000 0.811 145 K CB 2.014 34.495 32.500 -0.033 0.000 1.223 145 K HN 0.265 nan 8.250 nan 0.000 0.438 146 D N 4.491 124.871 120.400 -0.032 0.000 2.966 146 D HA 0.335 4.975 4.640 -0.000 0.000 0.222 146 D C -2.345 173.948 176.300 -0.013 0.000 1.292 146 D CA -0.999 52.983 54.000 -0.030 0.000 0.907 146 D CB 1.496 42.274 40.800 -0.036 0.000 1.621 146 D HN 0.267 nan 8.370 nan 0.000 0.557 147 P HA 0.359 nan 4.420 nan 0.000 0.272 147 P C -0.382 176.912 177.300 -0.010 0.000 1.230 147 P CA -0.524 62.570 63.100 -0.011 0.000 0.788 147 P CB 1.676 33.375 31.700 -0.001 0.000 0.949 148 A N 0.558 123.368 122.820 -0.016 0.000 2.229 148 A HA 0.565 4.885 4.320 -0.000 0.000 0.211 148 A C 0.856 178.443 177.584 0.005 0.000 1.193 148 A CA 0.850 52.881 52.037 -0.011 0.000 0.879 148 A CB -0.065 18.919 19.000 -0.027 0.000 0.911 148 A HN 0.835 nan 8.150 nan 0.000 0.492 149 G N -1.284 107.519 108.800 0.006 0.000 2.387 149 G HA2 0.472 4.432 3.960 -0.000 0.000 0.294 149 G HA3 0.472 4.432 3.960 -0.000 0.000 0.294 149 G C -2.110 172.801 174.900 0.019 0.000 1.509 149 G CA -0.493 44.621 45.100 0.022 0.000 0.806 149 G HN 0.646 nan 8.290 nan 0.000 0.546 150 L N 0.707 121.948 121.223 0.029 0.000 2.316 150 L HA 0.785 5.125 4.340 -0.000 0.000 0.280 150 L C 0.317 177.214 176.870 0.044 0.000 1.006 150 L CA -0.980 53.872 54.840 0.020 0.000 0.836 150 L CB 1.124 43.193 42.059 0.016 0.000 1.221 150 L HN 0.655 nan 8.230 nan 0.000 0.418 154 F N 0.807 120.918 119.950 0.268 0.000 2.654 154 F HA 0.863 5.390 4.527 -0.000 0.000 0.334 154 F C 1.141 177.084 175.800 0.238 0.000 1.078 154 F CA 0.541 58.663 58.000 0.203 0.000 0.986 154 F CB 1.870 40.965 39.000 0.158 0.000 1.362 154 F HN 1.846 nan 8.300 nan 0.000 0.498 155 G N 0.792 109.812 108.800 0.367 0.000 2.527 155 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.227 155 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.227 155 G C 0.601 175.628 174.900 0.212 0.000 1.291 155 G CA 0.149 45.414 45.100 0.275 0.000 0.904 155 G HN 0.632 nan 8.290 nan 0.000 0.577 156 E N 0.452 120.769 120.200 0.196 0.000 2.110 156 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 156 E C 2.420 179.090 176.600 0.117 0.000 0.988 156 E CA 1.338 57.817 56.400 0.132 0.000 0.804 156 E CB -0.157 29.604 29.700 0.101 0.000 0.745 156 E HN 0.400 nan 8.360 nan 0.000 0.458 157 N N 0.485 119.273 118.700 0.146 0.000 2.039 157 N HA -0.113 4.627 4.740 -0.000 0.000 0.193 157 N C -1.016 174.526 175.510 0.052 0.000 1.044 157 N CA 1.347 54.444 53.050 0.078 0.000 0.847 157 N CB -1.551 36.961 38.487 0.043 0.000 1.030 157 N HN 0.207 nan 8.380 nan 0.000 0.422 158 P HA -0.145 nan 4.420 nan 0.000 0.217 158 P C 1.126 178.516 177.300 0.151 0.000 1.150 158 P CA 1.720 64.888 63.100 0.112 0.000 0.832 158 P CB -0.037 31.693 31.700 0.050 0.000 0.787 159 K N 0.272 120.736 120.400 0.106 0.000 2.217 159 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 159 K C 2.413 179.054 176.600 0.068 0.000 1.051 159 K CA 0.569 56.915 56.287 0.099 0.000 0.952 159 K CB -0.442 32.109 32.500 0.084 0.000 0.736 159 K HN -0.072 nan 8.250 nan 0.000 0.453 160 R N 1.386 121.912 120.500 0.043 0.000 2.062 160 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 160 R C 2.062 178.334 176.300 -0.048 0.000 1.136 160 R CA 1.506 57.609 56.100 0.004 0.000 0.948 160 R CB -0.347 29.955 30.300 0.002 0.000 0.845 160 R HN 0.108 nan 8.270 nan 0.000 0.430 161 V N 0.425 120.281 119.914 -0.096 0.000 2.255 161 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 161 V C 2.027 177.860 176.094 -0.436 0.000 1.051 161 V CA 1.893 64.021 62.300 -0.286 0.000 1.018 161 V CB -0.638 30.960 31.823 -0.376 0.000 0.641 161 V HN 0.371 nan 8.190 nan 0.000 0.445 162 Y N 0.918 121.206 120.300 -0.020 0.000 2.337 162 Y HA 0.097 4.647 4.550 -0.000 0.000 0.293 162 Y C 2.502 178.395 175.900 -0.011 0.000 1.123 162 Y CA 0.955 59.043 58.100 -0.019 0.000 1.201 162 Y CB -1.067 37.378 38.460 -0.025 0.000 1.011 162 Y HN 0.249 nan 8.280 nan 0.000 0.545 163 G N 0.053 108.896 108.800 0.072 0.000 2.440 163 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 163 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 163 G C 1.473 176.376 174.900 0.005 0.000 1.154 163 G CA 1.155 46.280 45.100 0.041 0.000 0.767 163 G HN 0.398 nan 8.290 nan 0.000 0.552 164 E N -0.064 120.116 120.200 -0.034 0.000 2.153 164 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 164 E C 2.546 179.119 176.600 -0.045 0.000 0.988 164 E CA 0.415 56.786 56.400 -0.048 0.000 0.811 164 E CB -0.032 29.622 29.700 -0.076 0.000 0.746 164 E HN 0.333 nan 8.360 nan 0.000 0.466 165 R N 0.352 120.820 120.500 -0.054 0.000 2.313 165 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 165 R C 0.107 176.423 176.300 0.026 0.000 0.958 165 R CA 0.134 56.222 56.100 -0.019 0.000 1.047 165 R CB 0.181 30.471 30.300 -0.018 0.000 0.955 165 R HN -0.110 nan 8.270 nan 0.000 0.481 166 K N 0.751 121.168 120.400 0.028 0.000 3.129 166 K HA -0.224 4.096 4.320 -0.000 0.000 0.273 166 K C -0.675 175.957 176.600 0.052 0.000 1.123 166 K CA 0.903 57.211 56.287 0.034 0.000 0.800 166 K CB -1.274 31.238 32.500 0.021 0.000 1.238 166 K HN 0.427 nan 8.250 nan 0.000 0.492 167 Q N -0.636 119.217 119.800 0.089 0.000 2.423 167 Q HA 0.454 4.794 4.340 -0.000 0.000 0.278 167 Q C -0.900 175.160 176.000 0.101 0.000 1.097 167 Q CA -0.751 55.112 55.803 0.102 0.000 0.809 167 Q CB 1.587 30.424 28.738 0.166 0.000 1.391 167 Q HN 0.129 nan 8.270 nan 0.000 0.428 168 T N 4.630 119.208 114.554 0.040 0.000 2.888 168 T HA 0.243 4.593 4.350 -0.000 0.000 0.301 168 T C -2.345 172.324 174.700 -0.051 0.000 1.001 168 T CA -0.520 61.584 62.100 0.006 0.000 1.147 168 T CB 0.476 69.332 68.868 -0.019 0.000 0.931 168 T HN 0.407 nan 8.240 nan 0.000 0.541 169 P HA 0.326 nan 4.420 nan 0.000 0.292 169 P C 0.042 177.396 177.300 0.090 0.000 1.283 169 P CA -0.722 62.397 63.100 0.032 0.000 0.835 169 P CB 1.475 33.180 31.700 0.010 0.000 1.017 170 S N 0.253 115.995 115.700 0.069 0.000 2.559 170 S HA 0.186 4.656 4.470 -0.000 0.000 0.226 170 S C 0.643 175.279 174.600 0.060 0.000 1.000 170 S CA 0.007 58.248 58.200 0.068 0.000 0.948 170 S CB -0.534 62.699 63.200 0.055 0.000 0.870 170 S HN 0.636 nan 8.310 nan 0.000 0.497 171 T N -0.887 113.703 114.554 0.060 0.000 2.883 171 T HA 0.618 4.968 4.350 -0.000 0.000 0.296 171 T C -0.276 174.469 174.700 0.075 0.000 1.117 171 T CA -1.044 61.093 62.100 0.062 0.000 1.006 171 T CB 1.760 70.660 68.868 0.054 0.000 1.191 171 T HN 0.155 nan 8.240 nan 0.000 0.508 175 T N 2.147 116.723 114.554 0.037 0.000 2.708 175 T HA 0.048 4.398 4.350 -0.000 0.000 0.266 175 T C 2.725 177.430 174.700 0.007 0.000 1.037 175 T CA 2.399 64.491 62.100 -0.014 0.000 1.146 175 T CB -0.396 68.465 68.868 -0.012 0.000 0.865 175 T HN 0.564 nan 8.240 nan 0.000 0.435 176 A N 1.292 124.187 122.820 0.126 0.000 1.933 176 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 176 A C 2.607 180.295 177.584 0.174 0.000 1.175 176 A CA 1.894 54.063 52.037 0.220 0.000 0.628 176 A CB -1.313 17.841 19.000 0.257 0.000 0.814 176 A HN 0.524 nan 8.150 nan 0.000 0.444 177 G N -0.761 108.110 108.800 0.118 0.000 2.402 177 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 177 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 177 G C 1.508 176.457 174.900 0.081 0.000 1.162 177 G CA 1.085 46.247 45.100 0.104 0.000 0.777 177 G HN 0.295 nan 8.290 nan 0.000 0.539 178 V N 1.125 121.057 119.914 0.031 0.000 2.295 178 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 178 V C 2.800 178.902 176.094 0.013 0.000 1.049 178 V CA 1.654 63.944 62.300 -0.017 0.000 1.024 178 V CB -0.316 31.449 31.823 -0.098 0.000 0.648 178 V HN 0.407 nan 8.190 nan 0.000 0.447 179 I N -0.615 119.983 120.570 0.046 0.000 2.252 179 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 179 I C 2.703 178.968 176.117 0.247 0.000 1.102 179 I CA 1.623 63.005 61.300 0.136 0.000 1.385 179 I CB -0.441 37.666 38.000 0.179 0.000 1.064 179 I HN 0.189 nan 8.210 nan 0.000 0.414 180 R N 0.914 121.576 120.500 0.271 0.000 2.096 180 R HA -0.236 4.104 4.340 -0.000 0.000 0.235 180 R C 1.952 178.388 176.300 0.227 0.000 1.127 180 R CA 2.163 58.471 56.100 0.346 0.000 0.968 180 R CB -0.212 30.318 30.300 0.384 0.000 0.861 180 R HN 0.304 nan 8.270 nan 0.000 0.440 181 D N -0.775 119.715 120.400 0.150 0.000 2.117 181 D HA -0.224 4.416 4.640 -0.000 0.000 0.198 181 D C 1.754 178.074 176.300 0.034 0.000 0.982 181 D CA 1.106 55.162 54.000 0.094 0.000 0.828 181 D CB -0.181 40.658 40.800 0.065 0.000 0.967 181 D HN 0.312 nan 8.370 nan 0.000 0.464 182 Y N -0.106 120.104 120.300 -0.150 0.000 2.128 182 Y HA -0.179 4.371 4.550 -0.000 0.000 0.284 182 Y C 1.664 177.324 175.900 -0.399 0.000 1.154 182 Y CA 1.628 59.540 58.100 -0.313 0.000 1.149 182 Y CB -0.654 37.536 38.460 -0.450 0.000 0.976 182 Y HN -0.024 nan 8.280 nan 0.000 0.505 183 F N -0.017 119.630 119.950 -0.505 0.000 2.325 183 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 183 F C 2.430 177.976 175.800 -0.423 0.000 1.090 183 F CA 1.670 59.207 58.000 -0.772 0.000 1.392 183 F CB -0.981 37.214 39.000 -1.342 0.000 1.053 183 F HN -0.020 nan 8.300 nan 0.000 0.521 184 T N -0.428 114.121 114.554 -0.009 0.000 2.746 184 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 184 T C 1.982 176.716 174.700 0.057 0.000 1.039 184 T CA 1.455 63.661 62.100 0.177 0.000 1.142 184 T CB -0.165 68.823 68.868 0.200 0.000 0.866 184 T HN 0.119 nan 8.240 nan 0.000 0.444 185 K N 0.468 120.836 120.400 -0.054 0.000 2.097 185 K HA 0.000 4.320 4.320 -0.000 0.000 0.205 185 K C 2.261 178.810 176.600 -0.085 0.000 1.050 185 K CA 0.598 56.847 56.287 -0.064 0.000 0.938 185 K CB -0.408 32.035 32.500 -0.094 0.000 0.718 185 K HN 0.097 nan 8.250 nan 0.000 0.442 186 V N 1.721 121.482 119.914 -0.255 0.000 2.282 186 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 186 V C 1.983 178.109 176.094 0.053 0.000 1.057 186 V CA 1.854 64.042 62.300 -0.187 0.000 1.032 186 V CB -0.393 31.217 31.823 -0.354 0.000 0.645 186 V HN 0.309 nan 8.190 nan 0.000 0.447 187 K N -0.013 120.435 120.400 0.081 0.000 2.026 187 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 187 K C 2.094 178.756 176.600 0.103 0.000 1.048 187 K CA 1.642 58.003 56.287 0.125 0.000 0.929 187 K CB -0.354 32.252 32.500 0.177 0.000 0.713 187 K HN 0.427 nan 8.250 nan 0.000 0.439 188 N N 0.433 119.194 118.700 0.101 0.000 2.061 188 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 188 N C 0.930 176.511 175.510 0.119 0.000 1.030 188 N CA 0.956 54.063 53.050 0.096 0.000 0.856 188 N CB -0.592 37.951 38.487 0.094 0.000 1.023 188 N HN 0.193 nan 8.380 nan 0.000 0.424 192 K N 2.028 122.358 120.400 -0.116 0.000 2.097 192 K HA -0.011 4.308 4.320 -0.000 0.000 0.205 192 K C 1.753 178.181 176.600 -0.286 0.000 1.050 192 K CA 1.238 57.473 56.287 -0.086 0.000 0.938 192 K CB 0.058 32.600 32.500 0.071 0.000 0.718 192 K HN 0.047 nan 8.250 nan 0.000 0.442 193 K N 1.038 121.032 120.400 -0.677 0.000 2.057 193 K HA -0.204 4.115 4.320 -0.000 0.000 0.207 193 K C 2.195 178.552 176.600 -0.406 0.000 1.049 193 K CA 1.770 57.510 56.287 -0.910 0.000 0.931 193 K CB 0.026 31.948 32.500 -0.964 0.000 0.714 193 K HN 0.315 nan 8.250 nan 0.000 0.440 194 E N 0.951 120.994 120.200 -0.261 0.000 2.152 194 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 194 E C 2.070 178.611 176.600 -0.097 0.000 0.983 194 E CA 0.682 56.994 56.400 -0.147 0.000 0.818 194 E CB -0.151 29.488 29.700 -0.102 0.000 0.758 194 E HN 0.097 nan 8.360 nan 0.000 0.467 195 L N 1.374 122.546 121.223 -0.086 0.000 2.017 195 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 195 L C 2.511 179.368 176.870 -0.022 0.000 1.073 195 L CA 2.137 56.954 54.840 -0.039 0.000 0.745 195 L CB -0.686 41.363 42.059 -0.017 0.000 0.894 195 L HN 0.275 nan 8.230 nan 0.000 0.432 196 A N -0.707 122.102 122.820 -0.019 0.000 1.877 196 A HA -0.303 4.017 4.320 -0.000 0.000 0.216 196 A C 2.223 179.809 177.584 0.002 0.000 1.186 196 A CA 1.859 53.914 52.037 0.031 0.000 0.620 196 A CB -0.854 18.223 19.000 0.129 0.000 0.822 196 A HN 0.647 nan 8.150 nan 0.000 0.443 197 Q N 0.934 120.709 119.800 -0.041 0.000 2.096 197 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 197 Q C 1.730 177.717 176.000 -0.022 0.000 0.982 197 Q CA 2.752 58.533 55.803 -0.036 0.000 0.850 197 Q CB -0.410 28.288 28.738 -0.067 0.000 0.901 197 Q HN 0.676 nan 8.270 nan 0.000 0.422 198 K N -0.161 120.224 120.400 -0.025 0.000 2.305 198 K HA 0.003 4.323 4.320 -0.000 0.000 0.199 198 K C 1.254 177.850 176.600 -0.006 0.000 1.047 198 K CA 1.411 57.688 56.287 -0.016 0.000 0.976 198 K CB 0.040 32.529 32.500 -0.018 0.000 0.765 198 K HN 0.353 nan 8.250 nan 0.000 0.474 199 E N 0.510 120.709 120.200 -0.002 0.000 2.502 199 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 199 E C 0.326 176.930 176.600 0.008 0.000 1.062 199 E CA 0.275 56.678 56.400 0.005 0.000 0.867 199 E CB -0.061 29.645 29.700 0.011 0.000 0.888 199 E HN 0.589 nan 8.360 nan 0.000 0.510 200 G N 2.291 111.094 108.800 0.006 0.000 2.258 200 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.274 200 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.274 200 G C -0.016 174.894 174.900 0.016 0.000 1.021 200 G CA 0.594 45.699 45.100 0.009 0.000 0.798 200 G HN 0.152 nan 8.290 nan 0.000 0.507 201 K N -0.071 120.344 120.400 0.025 0.000 2.123 201 K HA 0.368 4.688 4.320 -0.000 0.000 0.259 201 K C 0.217 176.851 176.600 0.056 0.000 0.960 201 K CA -0.719 55.589 56.287 0.035 0.000 0.872 201 K CB 1.537 34.059 32.500 0.038 0.000 1.079 201 K HN 0.286 nan 8.250 nan 0.000 0.440 202 E N 2.023 122.255 120.200 0.052 0.000 2.324 202 E HA -0.003 4.347 4.350 -0.000 0.000 0.271 202 E C -0.860 175.809 176.600 0.115 0.000 1.028 202 E CA -0.238 56.206 56.400 0.073 0.000 0.890 202 E CB 0.442 30.168 29.700 0.043 0.000 1.004 202 E HN 0.249 nan 8.360 nan 0.000 0.431 203 F N 3.383 123.314 119.950 -0.031 0.000 2.543 203 F HA -0.002 4.525 4.527 -0.000 0.000 0.375 203 F C 1.152 176.937 175.800 -0.024 0.000 1.075 203 F CA 0.192 58.166 58.000 -0.045 0.000 1.225 203 F CB 0.741 39.697 39.000 -0.074 0.000 1.099 203 F HN 0.333 nan 8.300 nan 0.000 0.561 204 T N 0.592 114.835 114.554 -0.519 0.000 3.182 204 T HA 0.267 4.617 4.350 -0.000 0.000 0.277 204 T C 0.435 174.824 174.700 -0.519 0.000 1.013 204 T CA -0.142 61.730 62.100 -0.380 0.000 0.900 204 T CB -0.245 68.503 68.868 -0.201 0.000 1.098 204 T HN 0.587 nan 8.240 nan 0.000 0.543 205 E N 1.266 120.833 120.200 -1.054 0.000 2.887 205 E HA 0.243 4.593 4.350 -0.000 0.000 0.206 205 E C -0.425 176.014 176.600 -0.269 0.000 0.983 205 E CA -0.155 55.844 56.400 -0.668 0.000 1.141 205 E CB 0.413 29.734 29.700 -0.632 0.000 1.061 205 E HN 0.342 nan 8.360 nan 0.000 0.468 206 T N 1.400 115.883 114.554 -0.119 0.000 2.933 206 T HA -0.034 4.316 4.350 -0.000 0.000 0.306 206 T C -0.251 174.583 174.700 0.222 0.000 1.045 206 T CA 0.591 62.868 62.100 0.295 0.000 1.143 206 T CB 0.298 69.293 68.868 0.212 0.000 1.003 206 T HN 0.091 nan 8.240 nan 0.000 0.540 207 D N 2.574 123.128 120.400 0.257 0.000 2.788 207 D HA 0.168 4.808 4.640 -0.000 0.000 0.247 207 D C 0.607 176.859 176.300 -0.080 0.000 1.236 207 D CA -0.692 53.309 54.000 0.001 0.000 0.898 207 D CB 1.493 42.233 40.800 -0.100 0.000 1.401 207 D HN 0.198 nan 8.370 nan 0.000 0.549 208 L N 3.740 124.931 121.223 -0.053 0.000 2.042 208 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 208 L C 1.311 178.158 176.870 -0.039 0.000 1.076 208 L CA 1.732 56.560 54.840 -0.020 0.000 0.749 208 L CB -0.447 41.615 42.059 0.004 0.000 0.893 208 L HN 0.408 nan 8.230 nan 0.000 0.432 212 V N 1.770 121.699 119.914 0.024 0.000 2.343 212 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 212 V C 2.355 178.490 176.094 0.067 0.000 1.051 212 V CA 2.516 64.845 62.300 0.048 0.000 1.036 212 V CB -1.018 30.834 31.823 0.049 0.000 0.654 212 V HN 0.365 nan 8.190 nan 0.000 0.451 213 G N -0.148 108.686 108.800 0.056 0.000 2.440 213 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 213 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 213 G C 0.877 175.829 174.900 0.086 0.000 1.154 213 G CA 0.752 45.859 45.100 0.011 0.000 0.767 213 G HN 0.628 nan 8.290 nan 0.000 0.552 217 L N 0.527 121.811 121.223 0.101 0.000 2.131 217 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 217 L C 2.254 179.194 176.870 0.117 0.000 1.092 217 L CA 1.776 56.699 54.840 0.137 0.000 0.759 217 L CB -0.431 41.724 42.059 0.158 0.000 0.903 217 L HN 0.338 nan 8.230 nan 0.000 0.435 218 R N 0.268 120.823 120.500 0.092 0.000 2.320 218 R HA 0.018 4.358 4.340 -0.000 0.000 0.211 218 R C 0.284 176.625 176.300 0.068 0.000 0.931 218 R CA -0.058 56.085 56.100 0.071 0.000 1.071 218 R CB 0.107 30.441 30.300 0.056 0.000 1.025 218 R HN 0.198 nan 8.270 nan 0.000 0.495 219 K N -0.417 120.034 120.400 0.085 0.000 3.160 219 K HA -0.265 4.055 4.320 -0.000 0.000 0.280 219 K C 0.429 177.065 176.600 0.061 0.000 1.154 219 K CA 0.928 57.265 56.287 0.082 0.000 0.822 219 K CB -0.842 31.703 32.500 0.075 0.000 1.239 219 K HN 0.228 nan 8.250 nan 0.000 0.489 220 K N 0.363 120.796 120.400 0.055 0.000 2.097 220 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 220 K C 1.227 177.852 176.600 0.041 0.000 1.050 220 K CA 1.512 57.825 56.287 0.043 0.000 0.938 220 K CB -0.085 32.439 32.500 0.040 0.000 0.718 220 K HN 0.491 nan 8.250 nan 0.000 0.442 221 I N -2.136 118.461 120.570 0.046 0.000 2.865 221 I HA 0.436 4.606 4.170 -0.000 0.000 0.302 221 I C -2.969 173.182 176.117 0.057 0.000 1.140 221 I CA -3.034 58.292 61.300 0.043 0.000 1.021 221 I CB 2.413 40.433 38.000 0.032 0.000 1.233 221 I HN -0.246 nan 8.210 nan 0.000 0.427 222 P HA 0.306 nan 4.420 nan 0.000 0.279 222 P C -0.622 176.729 177.300 0.085 0.000 1.252 222 P CA -0.284 62.875 63.100 0.099 0.000 0.811 222 P CB 1.303 33.061 31.700 0.097 0.000 1.035 223 A N 2.934 125.829 122.820 0.126 0.000 2.401 223 A HA 0.398 4.718 4.320 -0.000 0.000 0.259 223 A C 0.538 178.223 177.584 0.168 0.000 1.103 223 A CA -0.198 51.912 52.037 0.122 0.000 0.789 223 A CB -0.035 19.080 19.000 0.192 0.000 1.035 223 A HN 0.398 nan 8.150 nan 0.000 0.491 227 A N 4.518 127.210 122.820 -0.212 0.000 2.513 227 A HA 0.427 4.747 4.320 -0.000 0.000 0.296 227 A C -1.013 176.360 177.584 -0.351 0.000 1.052 227 A CA -0.632 51.301 52.037 -0.174 0.000 0.714 227 A CB 1.166 20.120 19.000 -0.076 0.000 1.279 227 A HN 0.851 nan 8.150 nan 0.000 0.397 228 H N 1.112 120.138 119.070 -0.073 0.000 2.348 228 H HA 0.212 4.768 4.556 -0.000 0.000 0.306 228 H C 0.898 176.197 175.328 -0.048 0.000 1.034 228 H CA 0.508 56.516 56.048 -0.068 0.000 1.395 228 H CB 0.081 29.795 29.762 -0.080 0.000 1.495 228 H HN 0.694 nan 8.280 nan 0.000 0.616 229 R N 1.227 121.793 120.500 0.109 0.000 2.543 229 R HA 0.179 4.519 4.340 -0.000 0.000 0.277 229 R C 1.232 177.520 176.300 -0.020 0.000 1.074 229 R CA 0.415 56.534 56.100 0.032 0.000 1.076 229 R CB 0.743 31.067 30.300 0.041 0.000 0.993 229 R HN 0.264 nan 8.270 nan 0.000 0.459 230 A N 3.566 126.348 122.820 -0.063 0.000 1.917 230 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 230 A C 1.537 179.078 177.584 -0.072 0.000 1.182 230 A CA 2.086 54.068 52.037 -0.091 0.000 0.633 230 A CB -0.571 18.355 19.000 -0.124 0.000 0.819 230 A HN 0.980 nan 8.150 nan 0.000 0.448 231 D N -0.188 120.184 120.400 -0.048 0.000 2.178 231 D HA -0.172 4.468 4.640 -0.000 0.000 0.202 231 D C 0.914 177.185 176.300 -0.049 0.000 0.974 231 D CA 1.376 55.353 54.000 -0.039 0.000 0.841 231 D CB -0.722 40.071 40.800 -0.013 0.000 0.953 231 D HN 0.421 nan 8.370 nan 0.000 0.478 232 D N 0.740 121.119 120.400 -0.034 0.000 2.144 232 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 232 D C 2.420 178.584 176.300 -0.227 0.000 0.978 232 D CA 0.425 54.387 54.000 -0.064 0.000 0.833 232 D CB -0.020 40.818 40.800 0.065 0.000 0.961 232 D HN 0.359 nan 8.370 nan 0.000 0.470 233 I N 0.745 121.220 120.570 -0.159 0.000 2.179 233 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 233 I C 2.429 178.428 176.117 -0.197 0.000 1.088 233 I CA 0.808 62.000 61.300 -0.180 0.000 1.357 233 I CB -0.241 37.689 38.000 -0.117 0.000 1.051 233 I HN -0.050 nan 8.210 nan 0.000 0.409 234 L N -0.037 121.096 121.223 -0.150 0.000 2.083 234 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 234 L C 2.621 179.403 176.870 -0.147 0.000 1.083 234 L CA 1.439 56.203 54.840 -0.126 0.000 0.752 234 L CB -0.947 41.060 42.059 -0.087 0.000 0.899 234 L HN 0.247 nan 8.230 nan 0.000 0.433 235 T N -0.124 114.322 114.554 -0.180 0.000 2.708 235 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 235 T C 2.079 176.607 174.700 -0.287 0.000 1.037 235 T CA 1.327 63.327 62.100 -0.167 0.000 1.146 235 T CB -0.292 68.516 68.868 -0.101 0.000 0.865 235 T HN 0.445 nan 8.240 nan 0.000 0.435 236 A N 1.215 123.645 122.820 -0.650 0.000 1.892 236 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 236 A C 2.286 179.753 177.584 -0.195 0.000 1.188 236 A CA 1.534 53.209 52.037 -0.603 0.000 0.631 236 A CB -0.885 17.698 19.000 -0.695 0.000 0.822 236 A HN 0.542 nan 8.150 nan 0.000 0.447 237 I N -1.176 119.284 120.570 -0.184 0.000 2.226 237 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 237 I C 2.789 178.823 176.117 -0.138 0.000 1.100 237 I CA 1.297 62.514 61.300 -0.138 0.000 1.374 237 I CB -0.363 37.568 38.000 -0.115 0.000 1.057 237 I HN 0.281 nan 8.210 nan 0.000 0.413 238 R N 0.690 121.125 120.500 -0.109 0.000 2.083 238 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 238 R C 2.344 178.601 176.300 -0.071 0.000 1.137 238 R CA 1.632 57.682 56.100 -0.082 0.000 0.951 238 R CB -0.463 29.810 30.300 -0.044 0.000 0.851 238 R HN 0.371 nan 8.270 nan 0.000 0.434 239 I N 0.388 120.960 120.570 0.003 0.000 2.226 239 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 239 I C 2.653 178.694 176.117 -0.127 0.000 1.100 239 I CA 1.182 62.561 61.300 0.131 0.000 1.374 239 I CB -0.473 37.746 38.000 0.366 0.000 1.057 239 I HN 0.193 nan 8.210 nan 0.000 0.413 240 A N 0.645 123.211 122.820 -0.423 0.000 1.883 240 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 240 A C 2.209 179.338 177.584 -0.759 0.000 1.186 240 A CA 1.942 53.263 52.037 -1.193 0.000 0.624 240 A CB -0.635 17.941 19.000 -0.708 0.000 0.822 240 A HN 0.467 nan 8.150 nan 0.000 0.444 241 E N -0.878 119.091 120.200 -0.385 0.000 2.106 241 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 241 E C 2.071 178.523 176.600 -0.246 0.000 0.984 241 E CA 1.049 57.293 56.400 -0.260 0.000 0.806 241 E CB -0.131 29.464 29.700 -0.176 0.000 0.750 241 E HN 0.831 nan 8.360 nan 0.000 0.458 242 E N 0.109 120.153 120.200 -0.260 0.000 2.077 242 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 242 E C 1.256 177.544 176.600 -0.520 0.000 0.989 242 E CA 1.050 57.226 56.400 -0.374 0.000 0.800 242 E CB 0.020 29.474 29.700 -0.410 0.000 0.746 242 E HN 0.208 nan 8.360 nan 0.000 0.452 243 F N -0.670 119.164 119.950 -0.193 0.000 2.746 243 F HA 0.311 4.838 4.527 -0.000 0.000 0.297 243 F C 1.368 177.100 175.800 -0.113 0.000 1.113 243 F CA 0.598 58.526 58.000 -0.120 0.000 1.367 243 F CB 1.031 39.987 39.000 -0.074 0.000 1.111 243 F HN 0.163 nan 8.300 nan 0.000 0.590 244 G N 1.315 110.046 108.800 -0.115 0.000 2.212 244 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.255 244 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.255 244 G C -0.103 174.798 174.900 0.002 0.000 1.062 244 G CA 0.163 45.217 45.100 -0.077 0.000 0.815 244 G HN 0.357 nan 8.290 nan 0.000 0.497 245 F N -1.109 118.821 119.950 -0.034 0.000 2.541 245 F HA 0.820 5.347 4.527 -0.000 0.000 0.331 245 F C -0.077 175.714 175.800 -0.015 0.000 1.057 245 F CA -2.582 55.395 58.000 -0.038 0.000 0.975 245 F CB 0.765 39.709 39.000 -0.093 0.000 1.246 245 F HN -0.053 nan 8.300 nan 0.000 0.484 246 N N 1.671 120.551 118.700 0.300 0.000 2.530 246 N HA 0.567 5.307 4.740 -0.000 0.000 0.277 246 N C -0.836 174.840 175.510 0.278 0.000 1.168 246 N CA -0.302 52.862 53.050 0.189 0.000 0.979 246 N CB 1.529 40.095 38.487 0.132 0.000 1.141 246 N HN 0.860 nan 8.380 nan 0.000 0.459 247 L N -1.899 119.425 121.223 0.168 0.000 2.415 247 L HA 0.829 5.168 4.340 -0.000 0.000 0.256 247 L C -1.188 175.745 176.870 0.105 0.000 1.010 247 L CA -0.940 54.008 54.840 0.181 0.000 0.826 247 L CB 1.807 43.978 42.059 0.188 0.000 1.405 247 L HN 0.074 nan 8.230 nan 0.000 0.410 248 V N 2.366 122.344 119.914 0.107 0.000 2.735 248 V HA 0.502 4.622 4.120 -0.000 0.000 0.310 248 V C -0.146 175.984 176.094 0.060 0.000 1.061 248 V CA -0.500 61.841 62.300 0.068 0.000 0.913 248 V CB 2.062 33.925 31.823 0.066 0.000 1.005 248 V HN 0.531 nan 8.190 nan 0.000 0.428 249 I N 3.758 124.339 120.570 0.017 0.000 2.342 249 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 249 I C 0.251 176.329 176.117 -0.066 0.000 1.010 249 I CA -0.424 60.868 61.300 -0.013 0.000 1.308 249 I CB 1.233 39.209 38.000 -0.039 0.000 1.400 249 I HN 0.626 nan 8.210 nan 0.000 0.488 250 E N 7.025 127.157 120.200 -0.113 0.000 2.227 250 E HA 0.277 4.627 4.350 -0.000 0.000 0.282 250 E C 0.478 176.786 176.600 -0.488 0.000 1.015 250 E CA -0.346 55.829 56.400 -0.375 0.000 0.823 250 E CB 1.058 30.477 29.700 -0.468 0.000 1.081 250 E HN 0.541 nan 8.360 nan 0.000 0.396 251 H N 2.035 120.978 119.070 -0.212 0.000 4.806 251 H HA -0.229 4.327 4.556 -0.000 0.000 0.061 251 H C 1.038 176.301 175.328 -0.108 0.000 0.604 251 H CA 1.277 57.215 56.048 -0.183 0.000 0.938 251 H CB -1.436 28.105 29.762 -0.368 0.000 0.431 251 H HN 0.835 nan 8.280 nan 0.000 0.803 252 G N 1.240 110.014 108.800 -0.043 0.000 2.356 252 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.296 252 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.296 252 G C 0.986 175.918 174.900 0.055 0.000 1.022 252 G CA 1.738 46.825 45.100 -0.021 0.000 0.961 252 G HN 0.731 nan 8.290 nan 0.000 0.510 253 T N -0.104 114.527 114.554 0.128 0.000 2.685 253 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 253 T C 1.692 176.480 174.700 0.147 0.000 1.034 253 T CA 1.819 64.026 62.100 0.177 0.000 1.149 253 T CB -0.082 68.928 68.868 0.236 0.000 0.860 253 T HN 0.680 nan 8.240 nan 0.000 0.449 254 E N 0.180 120.394 120.200 0.024 0.000 2.437 254 E HA 0.423 4.773 4.350 -0.000 0.000 0.195 254 E C 1.860 178.296 176.600 -0.273 0.000 1.029 254 E CA -0.151 56.129 56.400 -0.200 0.000 0.948 254 E CB 0.218 29.790 29.700 -0.213 0.000 1.082 254 E HN 0.406 nan 8.360 nan 0.000 0.456 255 A N 1.022 123.797 122.820 -0.076 0.000 1.978 255 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 255 A C 2.021 179.577 177.584 -0.047 0.000 1.170 255 A CA 1.400 53.407 52.037 -0.051 0.000 0.636 255 A CB -0.841 18.167 19.000 0.012 0.000 0.810 255 A HN 0.586 nan 8.150 nan 0.000 0.448 256 Y N -0.399 119.895 120.300 -0.011 0.000 2.333 256 Y HA -0.066 4.484 4.550 -0.000 0.000 0.290 256 Y C 1.755 177.649 175.900 -0.010 0.000 1.144 256 Y CA 1.450 59.545 58.100 -0.009 0.000 1.228 256 Y CB -0.476 37.978 38.460 -0.009 0.000 0.985 256 Y HN 0.202 nan 8.280 nan 0.000 0.542 257 K N 1.299 121.378 120.400 -0.534 0.000 2.288 257 K HA 0.092 4.412 4.320 -0.000 0.000 0.201 257 K C 0.964 177.473 176.600 -0.151 0.000 1.048 257 K CA 1.492 57.572 56.287 -0.346 0.000 0.956 257 K CB -0.097 32.140 32.500 -0.438 0.000 0.746 257 K HN 0.680 nan 8.250 nan 0.000 0.461 258 I N -2.569 117.927 120.570 -0.123 0.000 3.426 258 I HA 0.166 4.336 4.170 -0.000 0.000 0.329 258 I C 1.149 177.241 176.117 -0.041 0.000 1.553 258 I CA -0.324 60.932 61.300 -0.074 0.000 1.019 258 I CB 0.776 38.725 38.000 -0.084 0.000 1.376 258 I HN -0.136 nan 8.210 nan 0.000 0.525 259 S N 0.755 116.446 115.700 -0.015 0.000 2.402 259 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 259 S C 1.904 176.506 174.600 0.003 0.000 1.021 259 S CA 1.200 59.405 58.200 0.008 0.000 0.974 259 S CB -0.258 62.968 63.200 0.042 0.000 0.800 259 S HN 0.654 nan 8.310 nan 0.000 0.484 260 K N 1.165 121.564 120.400 -0.000 0.000 2.032 260 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 260 K C 1.991 178.585 176.600 -0.011 0.000 1.048 260 K CA 1.892 58.177 56.287 -0.003 0.000 0.927 260 K CB -0.509 31.988 32.500 -0.004 0.000 0.712 260 K HN 0.370 nan 8.250 nan 0.000 0.441 261 V N 1.883 121.786 119.914 -0.020 0.000 2.295 261 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 261 V C 2.416 178.495 176.094 -0.025 0.000 1.049 261 V CA 1.644 63.929 62.300 -0.026 0.000 1.024 261 V CB -0.450 31.352 31.823 -0.036 0.000 0.648 261 V HN 0.305 nan 8.190 nan 0.000 0.447 262 L N 0.214 121.423 121.223 -0.024 0.000 2.046 262 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 262 L C 2.758 179.622 176.870 -0.010 0.000 1.077 262 L CA 1.574 56.402 54.840 -0.020 0.000 0.747 262 L CB -0.833 41.215 42.059 -0.017 0.000 0.896 262 L HN 0.359 nan 8.230 nan 0.000 0.432 263 A N -0.048 122.769 122.820 -0.004 0.000 1.877 263 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 263 A C 2.189 179.771 177.584 -0.003 0.000 1.186 263 A CA 1.747 53.784 52.037 0.001 0.000 0.620 263 A CB -0.465 18.538 19.000 0.005 0.000 0.822 263 A HN 0.430 nan 8.150 nan 0.000 0.443 264 E N -0.316 119.879 120.200 -0.008 0.000 2.110 264 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 264 E C 1.735 178.327 176.600 -0.013 0.000 0.988 264 E CA 1.249 57.643 56.400 -0.010 0.000 0.804 264 E CB -0.081 29.611 29.700 -0.013 0.000 0.745 264 E HN 0.547 nan 8.360 nan 0.000 0.458 265 K N 0.351 120.741 120.400 -0.018 0.000 2.426 265 K HA 0.025 4.345 4.320 -0.000 0.000 0.193 265 K C -0.002 176.589 176.600 -0.015 0.000 1.028 265 K CA 0.132 56.406 56.287 -0.022 0.000 1.047 265 K CB 0.291 32.771 32.500 -0.032 0.000 0.821 265 K HN -0.112 nan 8.250 nan 0.000 0.513 266 K N 1.025 121.420 120.400 -0.008 0.000 3.096 266 K HA -0.147 4.173 4.320 -0.000 0.000 0.266 266 K C -0.752 175.849 176.600 0.001 0.000 1.043 266 K CA 0.441 56.728 56.287 -0.001 0.000 0.758 266 K CB -1.075 31.426 32.500 0.002 0.000 1.260 266 K HN 0.120 nan 8.250 nan 0.000 0.481 267 I N 1.730 122.298 120.570 -0.004 0.000 2.352 267 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 267 I C -1.488 174.632 176.117 0.005 0.000 1.036 267 I CA -2.632 58.667 61.300 -0.002 0.000 1.336 267 I CB -0.017 37.974 38.000 -0.015 0.000 1.407 267 I HN -0.023 nan 8.210 nan 0.000 0.497 268 P HA 0.310 nan 4.420 nan 0.000 0.276 268 P C -0.721 176.584 177.300 0.009 0.000 1.244 268 P CA -0.276 62.833 63.100 0.015 0.000 0.801 268 P CB 1.642 33.356 31.700 0.023 0.000 1.006 269 V N 2.105 122.023 119.914 0.006 0.000 2.577 269 V HA 0.183 4.303 4.120 -0.000 0.000 0.303 269 V C 0.046 176.133 176.094 -0.011 0.000 1.042 269 V CA -0.793 61.502 62.300 -0.008 0.000 0.872 269 V CB 2.293 34.114 31.823 -0.004 0.000 0.998 269 V HN 0.229 nan 8.190 nan 0.000 0.423 270 V N 5.944 125.834 119.914 -0.039 0.000 2.320 270 V HA 0.276 4.396 4.120 -0.000 0.000 0.265 270 V C 0.329 176.380 176.094 -0.072 0.000 1.048 270 V CA -0.378 61.894 62.300 -0.047 0.000 0.865 270 V CB 1.291 33.081 31.823 -0.056 0.000 1.043 270 V HN 0.744 nan 8.190 nan 0.000 0.474 271 V N 2.815 122.717 119.914 -0.019 0.000 3.083 271 V HA 1.036 5.156 4.120 -0.000 0.000 0.306 271 V C 0.599 176.710 176.094 0.027 0.000 1.077 271 V CA 0.296 62.601 62.300 0.009 0.000 1.073 271 V CB 0.765 32.602 31.823 0.023 0.000 1.081 271 V HN 1.484 nan 8.190 nan 0.000 0.474 272 G N 2.112 110.957 108.800 0.075 0.000 2.619 272 G HA2 0.036 3.996 3.960 -0.000 0.000 0.686 272 G HA3 0.036 3.996 3.960 -0.000 0.000 0.686 272 G C -3.126 171.920 174.900 0.243 0.000 1.256 272 G CA -0.413 44.750 45.100 0.104 0.000 0.826 272 G HN 0.991 nan 8.290 nan 0.000 0.619 273 P HA 0.415 nan 4.420 nan 0.000 0.275 273 P C 0.758 178.094 177.300 0.061 0.000 1.227 273 P CA -0.316 62.856 63.100 0.119 0.000 0.781 273 P CB 1.096 32.869 31.700 0.122 0.000 0.906 274 L N 1.937 123.173 121.223 0.021 0.000 2.526 274 L HA 0.192 4.532 4.340 -0.000 0.000 0.210 274 L C 1.448 178.285 176.870 -0.055 0.000 1.048 274 L CA 0.090 54.911 54.840 -0.032 0.000 0.852 274 L CB -0.132 41.892 42.059 -0.058 0.000 1.128 274 L HN 0.245 nan 8.230 nan 0.000 0.482 275 L N 1.231 122.436 121.223 -0.030 0.000 2.376 275 L HA 0.267 4.607 4.340 -0.000 0.000 0.250 275 L C -0.192 176.681 176.870 0.004 0.000 1.335 275 L CA 0.883 55.707 54.840 -0.027 0.000 1.214 275 L CB -0.395 41.654 42.059 -0.017 0.000 1.395 275 L HN 0.006 nan 8.230 nan 0.000 0.424 276 T N 1.568 116.127 114.554 0.009 0.000 2.827 276 T HA 0.243 4.593 4.350 -0.000 0.000 0.328 276 T C -1.165 173.587 174.700 0.087 0.000 1.598 276 T CA -0.581 61.552 62.100 0.056 0.000 1.043 276 T CB 0.442 69.341 68.868 0.051 0.000 1.447 276 T HN 0.065 nan 8.240 nan 0.000 0.491 277 F N 2.981 122.911 119.950 -0.035 0.000 2.429 277 F HA 0.541 5.068 4.527 -0.000 0.000 0.348 277 F C 0.857 176.628 175.800 -0.048 0.000 1.109 277 F CA -0.516 57.461 58.000 -0.038 0.000 1.232 277 F CB 0.645 39.629 39.000 -0.027 0.000 1.157 277 F HN 0.473 nan 8.300 nan 0.000 0.564 278 R N 3.698 123.746 120.500 -0.753 0.000 2.429 278 R HA 0.115 4.455 4.340 -0.000 0.000 0.302 278 R C 1.113 177.034 176.300 -0.631 0.000 1.268 278 R CA 0.527 56.283 56.100 -0.572 0.000 1.090 278 R CB -0.296 29.724 30.300 -0.467 0.000 1.102 278 R HN 0.801 nan 8.270 nan 0.000 0.522 279 T N -1.231 113.189 114.554 -0.223 0.000 3.055 279 T HA 0.033 4.383 4.350 -0.000 0.000 0.265 279 T C 0.631 175.311 174.700 -0.035 0.000 1.111 279 T CA 0.560 62.675 62.100 0.024 0.000 1.118 279 T CB 0.270 69.218 68.868 0.133 0.000 0.909 279 T HN 0.261 nan 8.240 nan 0.000 0.501 280 K N -0.361 119.970 120.400 -0.115 0.000 2.443 280 K HA 0.523 4.843 4.320 -0.000 0.000 0.251 280 K C 0.110 176.646 176.600 -0.108 0.000 0.972 280 K CA -0.940 55.295 56.287 -0.086 0.000 0.833 280 K CB 2.166 34.615 32.500 -0.085 0.000 1.317 280 K HN -0.173 nan 8.250 nan 0.000 0.441 281 L N 2.462 123.646 121.223 -0.065 0.000 2.043 281 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 281 L C 2.001 178.833 176.870 -0.062 0.000 1.075 281 L CA 2.059 56.867 54.840 -0.054 0.000 0.752 281 L CB -0.460 41.585 42.059 -0.023 0.000 0.891 281 L HN 0.818 nan 8.230 nan 0.000 0.432 282 E N -1.220 118.944 120.200 -0.060 0.000 2.472 282 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 282 E C 1.662 178.187 176.600 -0.125 0.000 1.046 282 E CA 0.819 57.188 56.400 -0.052 0.000 0.871 282 E CB -0.358 29.349 29.700 0.011 0.000 0.806 282 E HN 0.583 nan 8.360 nan 0.000 0.533 283 L N 1.186 122.295 121.223 -0.190 0.000 2.607 283 L HA 0.126 4.466 4.340 -0.000 0.000 0.228 283 L C 2.329 179.107 176.870 -0.154 0.000 1.123 283 L CA 0.151 54.859 54.840 -0.220 0.000 0.890 283 L CB -0.132 41.749 42.059 -0.296 0.000 1.103 283 L HN 0.134 nan 8.230 nan 0.000 0.468 284 K N -0.380 119.947 120.400 -0.120 0.000 2.160 284 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 284 K C 0.527 177.086 176.600 -0.069 0.000 1.047 284 K CA 1.767 57.990 56.287 -0.106 0.000 0.930 284 K CB -0.081 32.375 32.500 -0.074 0.000 0.720 284 K HN 0.124 nan 8.250 nan 0.000 0.450 285 D N 0.889 121.277 120.400 -0.020 0.000 2.388 285 D HA 0.107 4.746 4.640 -0.000 0.000 0.221 285 D C -0.034 176.312 176.300 0.077 0.000 1.133 285 D CA -0.216 53.815 54.000 0.051 0.000 0.831 285 D CB 0.079 40.953 40.800 0.124 0.000 0.962 285 D HN 0.218 nan 8.370 nan 0.000 0.502 286 L N 0.854 122.073 121.223 -0.006 0.000 2.578 286 L HA 0.075 4.415 4.340 -0.000 0.000 0.279 286 L C 0.369 177.185 176.870 -0.090 0.000 1.227 286 L CA 0.836 55.661 54.840 -0.026 0.000 0.900 286 L CB 0.547 42.556 42.059 -0.084 0.000 1.144 286 L HN -0.049 nan 8.230 nan 0.000 0.496 290 T N 1.208 115.664 114.554 -0.164 0.000 2.778 290 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 290 T C 1.834 176.524 174.700 -0.018 0.000 1.050 290 T CA 1.500 63.548 62.100 -0.086 0.000 1.137 290 T CB -0.190 68.673 68.868 -0.008 0.000 0.860 290 T HN 0.142 nan 8.240 nan 0.000 0.468 291 I N 1.017 121.574 120.570 -0.022 0.000 2.099 291 I HA -0.168 4.002 4.170 -0.000 0.000 0.239 291 I C 2.955 179.077 176.117 0.008 0.000 1.066 291 I CA 1.408 62.708 61.300 -0.000 0.000 1.324 291 I CB -0.645 37.352 38.000 -0.005 0.000 1.037 291 I HN 0.263 nan 8.210 nan 0.000 0.401 292 A N 0.657 123.479 122.820 0.004 0.000 1.908 292 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 292 A C 2.318 179.908 177.584 0.010 0.000 1.181 292 A CA 1.941 53.984 52.037 0.009 0.000 0.627 292 A CB -0.563 18.441 19.000 0.007 0.000 0.818 292 A HN 0.349 nan 8.150 nan 0.000 0.445 293 K N -0.580 119.820 120.400 0.000 0.000 2.026 293 K HA -0.024 4.296 4.320 -0.000 0.000 0.208 293 K C 1.871 178.496 176.600 0.042 0.000 1.048 293 K CA 1.476 57.773 56.287 0.017 0.000 0.929 293 K CB -0.344 32.159 32.500 0.006 0.000 0.713 293 K HN 0.481 nan 8.250 nan 0.000 0.439 294 L N 0.765 122.015 121.223 0.045 0.000 2.109 294 L HA -0.130 4.209 4.340 -0.000 0.000 0.207 294 L C 2.257 179.148 176.870 0.036 0.000 1.086 294 L CA 0.742 55.611 54.840 0.049 0.000 0.760 294 L CB -0.346 41.743 42.059 0.051 0.000 0.910 294 L HN 0.168 nan 8.230 nan 0.000 0.437 295 L N -0.088 121.154 121.223 0.032 0.000 2.017 295 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 295 L C 2.714 179.601 176.870 0.029 0.000 1.073 295 L CA 1.353 56.212 54.840 0.032 0.000 0.745 295 L CB -0.522 41.557 42.059 0.033 0.000 0.894 295 L HN 0.240 nan 8.230 nan 0.000 0.432 296 K N -0.008 120.409 120.400 0.027 0.000 2.113 296 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 296 K C 0.931 177.545 176.600 0.024 0.000 1.047 296 K CA 1.697 57.999 56.287 0.024 0.000 0.928 296 K CB 0.026 32.539 32.500 0.023 0.000 0.716 296 K HN 0.306 nan 8.250 nan 0.000 0.446 297 D N -1.032 119.385 120.400 0.028 0.000 2.328 297 D HA 0.086 4.726 4.640 -0.000 0.000 0.221 297 D C 0.628 176.940 176.300 0.021 0.000 1.072 297 D CA 0.739 54.754 54.000 0.025 0.000 0.850 297 D CB 0.706 41.524 40.800 0.030 0.000 0.922 297 D HN 0.448 nan 8.370 nan 0.000 0.516 298 G N 0.642 109.456 108.800 0.023 0.000 2.160 298 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 298 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 298 G C 0.307 175.219 174.900 0.020 0.000 1.022 298 G CA 0.127 45.239 45.100 0.021 0.000 0.741 298 G HN 0.271 nan 8.290 nan 0.000 0.508 299 V N 0.770 120.697 119.914 0.022 0.000 2.546 299 V HA 0.561 4.681 4.120 -0.000 0.000 0.284 299 V C 0.838 176.946 176.094 0.024 0.000 1.050 299 V CA -0.728 61.584 62.300 0.021 0.000 0.981 299 V CB 1.683 33.519 31.823 0.022 0.000 0.990 299 V HN 0.463 nan 8.190 nan 0.000 0.474 300 L N 7.521 128.758 121.223 0.023 0.000 2.315 300 L HA 0.521 4.860 4.340 -0.000 0.000 0.283 300 L C -0.250 176.636 176.870 0.027 0.000 1.089 300 L CA 0.556 55.413 54.840 0.027 0.000 0.833 300 L CB 0.014 42.088 42.059 0.026 0.000 1.170 300 L HN 0.654 nan 8.230 nan 0.000 0.442 301 I N 2.566 123.155 120.570 0.031 0.000 2.785 301 I HA 0.997 5.167 4.170 -0.000 0.000 0.302 301 I C -0.676 175.462 176.117 0.035 0.000 1.069 301 I CA -0.813 60.504 61.300 0.029 0.000 1.045 301 I CB 2.086 40.102 38.000 0.027 0.000 1.236 301 I HN 0.674 nan 8.210 nan 0.000 0.429 302 A N 4.196 127.034 122.820 0.030 0.000 2.430 302 A HA 0.857 5.177 4.320 -0.000 0.000 0.300 302 A C -1.215 176.385 177.584 0.026 0.000 1.124 302 A CA -0.642 51.417 52.037 0.037 0.000 0.766 302 A CB 1.822 20.847 19.000 0.042 0.000 1.328 302 A HN 0.803 nan 8.150 nan 0.000 0.424 306 D N 1.600 122.123 120.400 0.204 0.000 2.708 306 D HA -0.235 4.405 4.640 -0.000 0.000 0.236 306 D C 0.022 176.487 176.300 0.276 0.000 1.146 306 D CA 1.281 55.446 54.000 0.275 0.000 0.662 306 D CB -1.643 39.365 40.800 0.347 0.000 1.059 306 D HN 0.862 nan 8.370 nan 0.000 0.428 307 H N -0.571 118.578 119.070 0.131 0.000 3.140 307 H HA 0.085 4.641 4.556 -0.000 0.000 0.316 307 H C -1.338 174.096 175.328 0.177 0.000 0.986 307 H CA -0.087 56.025 56.048 0.107 0.000 1.397 307 H CB 1.029 30.837 29.762 0.077 0.000 1.377 307 H HN 0.048 nan 8.280 nan 0.000 0.585 308 P HA -0.065 nan 4.420 nan 0.000 0.249 308 P C 1.131 178.224 177.300 -0.345 0.000 1.229 308 P CA 0.203 62.865 63.100 -0.730 0.000 0.788 308 P CB 0.365 31.532 31.700 -0.888 0.000 1.072 309 V N 0.452 120.318 119.914 -0.079 0.000 2.287 309 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 309 V C 1.579 177.675 176.094 0.004 0.000 1.053 309 V CA 1.635 63.937 62.300 0.003 0.000 1.027 309 V CB -0.611 31.273 31.823 0.102 0.000 0.646 309 V HN 0.063 nan 8.190 nan 0.000 0.447 310 I N 0.364 120.955 120.570 0.035 0.000 2.433 310 I HA 0.366 4.536 4.170 -0.000 0.000 0.292 310 I C -2.690 173.478 176.117 0.086 0.000 1.001 310 I CA -2.293 59.056 61.300 0.081 0.000 1.119 310 I CB 2.030 40.102 38.000 0.120 0.000 1.289 310 I HN 0.017 nan 8.210 nan 0.000 0.438 311 P HA 0.011 nan 4.420 nan 0.000 0.268 311 P C 0.589 178.000 177.300 0.185 0.000 1.204 311 P CA -0.326 62.847 63.100 0.122 0.000 0.768 311 P CB 0.697 32.402 31.700 0.009 0.000 0.842 312 L N 4.473 125.911 121.223 0.359 0.000 2.129 312 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 312 L C 2.042 178.900 176.870 -0.020 0.000 1.087 312 L CA 1.829 56.742 54.840 0.121 0.000 0.757 312 L CB -1.248 40.802 42.059 -0.015 0.000 0.896 312 L HN 0.491 nan 8.230 nan 0.000 0.434 313 E N -1.996 118.077 120.200 -0.211 0.000 2.267 313 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 313 E C 1.047 177.461 176.600 -0.310 0.000 0.998 313 E CA 1.328 57.498 56.400 -0.384 0.000 0.830 313 E CB -0.513 28.783 29.700 -0.674 0.000 0.751 313 E HN 0.465 nan 8.360 nan 0.000 0.491 314 F N 0.455 120.449 119.950 0.073 0.000 2.668 314 F HA 0.496 5.023 4.527 -0.000 0.000 0.297 314 F C 1.909 177.733 175.800 0.039 0.000 1.124 314 F CA -0.528 57.506 58.000 0.056 0.000 1.353 314 F CB 0.100 39.121 39.000 0.035 0.000 0.992 314 F HN 0.054 nan 8.300 nan 0.000 0.524 315 A N 0.430 123.347 122.820 0.162 0.000 1.917 315 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 315 A C 2.414 179.994 177.584 -0.008 0.000 1.182 315 A CA 2.700 54.779 52.037 0.069 0.000 0.633 315 A CB -1.228 17.802 19.000 0.049 0.000 0.819 315 A HN 0.419 nan 8.150 nan 0.000 0.448 316 T N -2.813 111.762 114.554 0.035 0.000 2.951 316 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 316 T C 1.662 176.353 174.700 -0.014 0.000 1.073 316 T CA 1.278 63.385 62.100 0.012 0.000 1.134 316 T CB -0.624 68.304 68.868 0.101 0.000 0.884 316 T HN 0.085 nan 8.240 nan 0.000 0.479 317 V N 1.925 121.879 119.914 0.067 0.000 2.307 317 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 317 V C 2.962 179.015 176.094 -0.068 0.000 1.045 317 V CA 2.141 64.448 62.300 0.011 0.000 1.024 317 V CB -0.925 30.929 31.823 0.050 0.000 0.651 317 V HN 0.558 nan 8.190 nan 0.000 0.449 318 Q N 0.091 119.871 119.800 -0.034 0.000 2.050 318 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 318 Q C 2.227 178.136 176.000 -0.151 0.000 0.980 318 Q CA 2.164 57.930 55.803 -0.062 0.000 0.840 318 Q CB -0.301 28.429 28.738 -0.013 0.000 0.898 318 Q HN 0.613 nan 8.270 nan 0.000 0.424 319 A N 0.924 123.603 122.820 -0.235 0.000 1.858 319 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 319 A C 2.357 179.550 177.584 -0.653 0.000 1.190 319 A CA 1.820 53.619 52.037 -0.396 0.000 0.617 319 A CB -1.219 17.529 19.000 -0.419 0.000 0.827 319 A HN 0.589 nan 8.150 nan 0.000 0.443 320 A N -0.958 121.350 122.820 -0.853 0.000 1.908 320 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 320 A C 2.280 179.652 177.584 -0.353 0.000 1.181 320 A CA 2.450 54.020 52.037 -0.778 0.000 0.627 320 A CB -1.444 17.278 19.000 -0.463 0.000 0.818 320 A HN 0.453 nan 8.150 nan 0.000 0.445 321 T N 0.515 114.939 114.554 -0.216 0.000 2.803 321 T HA 0.140 4.490 4.350 -0.000 0.000 0.269 321 T C 1.319 176.035 174.700 0.027 0.000 1.052 321 T CA 0.820 62.879 62.100 -0.069 0.000 1.136 321 T CB -0.632 68.229 68.868 -0.012 0.000 0.864 321 T HN 0.713 nan 8.240 nan 0.000 0.467 325 Y N 0.294 120.552 120.300 -0.070 0.000 2.698 325 Y HA 0.363 4.913 4.550 -0.000 0.000 0.261 325 Y C 1.208 177.071 175.900 -0.063 0.000 1.104 325 Y CA 0.276 58.335 58.100 -0.068 0.000 1.145 325 Y CB 1.644 40.058 38.460 -0.077 0.000 1.191 325 Y HN 0.280 nan 8.280 nan 0.000 0.564 326 G N 0.193 108.993 108.800 0.000 0.000 2.157 326 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.248 326 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.248 326 G C 0.280 175.184 174.900 0.007 0.000 0.979 326 G CA -0.075 45.024 45.100 -0.001 0.000 0.650 326 G HN 0.682 nan 8.290 nan 0.000 0.529 327 A N 0.029 122.855 122.820 0.010 0.000 2.304 327 A HA 0.730 5.050 4.320 -0.000 0.000 0.301 327 A C 0.374 177.965 177.584 0.011 0.000 1.132 327 A CA -0.233 51.811 52.037 0.011 0.000 0.819 327 A CB 0.780 19.782 19.000 0.004 0.000 1.094 327 A HN 0.157 nan 8.150 nan 0.000 0.492 328 K N 1.003 121.425 120.400 0.037 0.000 2.123 328 K HA 0.180 4.500 4.320 -0.000 0.000 0.259 328 K C 1.038 177.705 176.600 0.112 0.000 0.960 328 K CA -0.518 55.805 56.287 0.060 0.000 0.872 328 K CB 1.648 34.185 32.500 0.062 0.000 1.079 328 K HN 0.944 nan 8.250 nan 0.000 0.440 329 E N 2.466 122.758 120.200 0.153 0.000 2.049 329 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 329 E C 0.942 177.726 176.600 0.307 0.000 1.007 329 E CA 1.681 58.257 56.400 0.294 0.000 0.809 329 E CB 0.227 30.079 29.700 0.254 0.000 0.749 329 E HN 0.568 nan 8.360 nan 0.000 0.450 330 E N 0.129 120.464 120.200 0.225 0.000 2.065 330 E HA -0.233 4.117 4.350 -0.000 0.000 0.201 330 E C 1.956 178.671 176.600 0.191 0.000 1.016 330 E CA 1.736 58.261 56.400 0.208 0.000 0.818 330 E CB -0.068 29.723 29.700 0.151 0.000 0.749 330 E HN 0.370 nan 8.360 nan 0.000 0.453 331 D N 0.251 120.744 120.400 0.155 0.000 2.144 331 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 331 D C 2.144 178.531 176.300 0.145 0.000 0.978 331 D CA 0.642 54.718 54.000 0.126 0.000 0.833 331 D CB -0.185 40.669 40.800 0.089 0.000 0.961 331 D HN 0.174 nan 8.370 nan 0.000 0.470 332 L N 0.367 121.699 121.223 0.181 0.000 2.046 332 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 332 L C 2.551 179.601 176.870 0.299 0.000 1.077 332 L CA 0.665 55.624 54.840 0.198 0.000 0.747 332 L CB -0.318 41.834 42.059 0.154 0.000 0.896 332 L HN 0.034 nan 8.230 nan 0.000 0.432 333 L N -0.530 120.899 121.223 0.343 0.000 2.056 333 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 333 L C 2.605 179.617 176.870 0.236 0.000 1.078 333 L CA 1.328 56.331 54.840 0.271 0.000 0.749 333 L CB -0.428 41.784 42.059 0.255 0.000 0.901 333 L HN 0.185 nan 8.230 nan 0.000 0.433 334 K N 0.492 121.009 120.400 0.195 0.000 2.057 334 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 334 K C 1.942 178.622 176.600 0.133 0.000 1.049 334 K CA 1.632 58.013 56.287 0.156 0.000 0.931 334 K CB -0.267 32.308 32.500 0.125 0.000 0.714 334 K HN 0.432 nan 8.250 nan 0.000 0.440 335 I N -1.523 119.115 120.570 0.114 0.000 3.176 335 I HA -0.081 4.089 4.170 -0.000 0.000 0.275 335 I C 1.133 177.299 176.117 0.082 0.000 1.298 335 I CA 1.046 62.396 61.300 0.084 0.000 1.445 335 I CB -0.076 37.959 38.000 0.058 0.000 1.075 335 I HN 0.033 nan 8.210 nan 0.000 0.482 336 L N 0.822 122.111 121.223 0.109 0.000 2.664 336 L HA 0.175 4.515 4.340 -0.000 0.000 0.233 336 L C 1.696 178.723 176.870 0.262 0.000 1.113 336 L CA 0.692 55.601 54.840 0.116 0.000 0.896 336 L CB 0.088 42.098 42.059 -0.081 0.000 1.163 336 L HN 0.505 nan 8.230 nan 0.000 0.497 337 T N -5.870 108.822 114.554 0.230 0.000 3.359 337 T HA 0.006 4.356 4.350 -0.000 0.000 0.160 337 T C 1.220 176.006 174.700 0.143 0.000 0.924 337 T CA 0.528 62.764 62.100 0.227 0.000 0.951 337 T CB -0.133 68.894 68.868 0.265 0.000 1.404 337 T HN -0.227 nan 8.240 nan 0.000 0.309 338 V N 2.710 122.701 119.914 0.129 0.000 2.453 338 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 338 V C 2.174 178.314 176.094 0.078 0.000 1.048 338 V CA 2.349 64.705 62.300 0.093 0.000 1.049 338 V CB -1.175 30.701 31.823 0.088 0.000 0.672 338 V HN 0.506 nan 8.190 nan 0.000 0.457 339 N N 0.848 119.598 118.700 0.083 0.000 2.080 339 N HA -0.055 4.685 4.740 -0.000 0.000 0.189 339 N C -0.668 174.878 175.510 0.060 0.000 1.036 339 N CA 2.038 55.128 53.050 0.066 0.000 0.846 339 N CB -1.791 36.735 38.487 0.065 0.000 1.015 339 N HN 0.439 nan 8.380 nan 0.000 0.423 340 P HA -0.072 nan 4.420 nan 0.000 0.216 340 P C 1.008 178.336 177.300 0.047 0.000 1.150 340 P CA 1.523 64.658 63.100 0.057 0.000 0.837 340 P CB -0.038 31.703 31.700 0.069 0.000 0.786 341 A N 0.786 123.637 122.820 0.052 0.000 1.883 341 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 341 A C 2.391 179.994 177.584 0.033 0.000 1.186 341 A CA 2.778 54.839 52.037 0.038 0.000 0.624 341 A CB -1.301 17.725 19.000 0.043 0.000 0.822 341 A HN 0.127 nan 8.150 nan 0.000 0.444 342 K N 0.314 120.737 120.400 0.038 0.000 2.032 342 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 342 K C 1.589 178.208 176.600 0.031 0.000 1.048 342 K CA 1.963 58.270 56.287 0.033 0.000 0.927 342 K CB -0.691 31.831 32.500 0.036 0.000 0.712 342 K HN 0.493 nan 8.250 nan 0.000 0.441 343 I N 0.523 121.113 120.570 0.034 0.000 2.335 343 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 343 I C 1.625 177.760 176.117 0.030 0.000 1.129 343 I CA 1.107 62.426 61.300 0.033 0.000 1.402 343 I CB -0.153 37.868 38.000 0.035 0.000 1.069 343 I HN 0.129 nan 8.210 nan 0.000 0.424 344 L N 0.341 121.579 121.223 0.025 0.000 2.591 344 L HA 0.232 4.572 4.340 -0.000 0.000 0.228 344 L C 1.349 178.227 176.870 0.013 0.000 1.133 344 L CA 0.303 55.153 54.840 0.016 0.000 0.880 344 L CB -0.408 41.654 42.059 0.004 0.000 1.033 344 L HN 0.437 nan 8.230 nan 0.000 0.450 345 G N 1.013 109.824 108.800 0.018 0.000 2.198 345 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 345 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 345 G C 0.297 175.205 174.900 0.012 0.000 1.042 345 G CA 0.189 45.298 45.100 0.017 0.000 0.791 345 G HN 0.377 nan 8.290 nan 0.000 0.502 346 L N 0.007 121.238 121.223 0.013 0.000 3.358 346 L HA 0.222 4.562 4.340 -0.000 0.000 0.301 346 L C 2.059 178.938 176.870 0.015 0.000 1.276 346 L CA 0.333 55.179 54.840 0.009 0.000 1.028 346 L CB 0.281 42.340 42.059 0.000 0.000 1.421 346 L HN 0.400 nan 8.230 nan 0.000 0.604 347 E N 0.610 120.822 120.200 0.020 0.000 2.338 347 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 347 E C 0.637 177.251 176.600 0.022 0.000 1.007 347 E CA 1.396 57.811 56.400 0.025 0.000 0.849 347 E CB 0.017 29.734 29.700 0.029 0.000 0.774 347 E HN 0.577 nan 8.360 nan 0.000 0.506 348 D N 0.567 120.978 120.400 0.017 0.000 2.363 348 D HA -0.061 4.579 4.640 -0.000 0.000 0.220 348 D C 1.645 177.954 176.300 0.014 0.000 0.994 348 D CA 0.256 54.265 54.000 0.015 0.000 0.890 348 D CB -0.104 40.703 40.800 0.012 0.000 0.906 348 D HN 0.198 nan 8.370 nan 0.000 0.530 349 R N -0.349 120.159 120.500 0.014 0.000 2.215 349 R HA 0.348 4.688 4.340 -0.000 0.000 0.190 349 R C 1.023 177.331 176.300 0.013 0.000 0.968 349 R CA 0.235 56.342 56.100 0.011 0.000 1.122 349 R CB 0.800 31.103 30.300 0.005 0.000 1.151 349 R HN 0.239 nan 8.270 nan 0.000 0.582 350 I N -4.472 116.108 120.570 0.016 0.000 3.206 350 I HA 0.688 4.858 4.170 -0.000 0.000 0.313 350 I C 0.459 176.598 176.117 0.036 0.000 1.103 350 I CA -0.496 60.816 61.300 0.020 0.000 0.985 350 I CB 2.240 40.246 38.000 0.009 0.000 1.240 350 I HN 0.310 nan 8.210 nan 0.000 0.464 351 G N 1.762 110.590 108.800 0.047 0.000 2.175 351 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 351 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 351 G C 0.055 175.003 174.900 0.079 0.000 0.982 351 G CA 0.251 45.397 45.100 0.075 0.000 0.641 351 G HN 1.647 nan 8.290 nan 0.000 0.527 352 S N -1.320 114.414 115.700 0.056 0.000 2.587 352 S HA 0.691 5.161 4.470 -0.000 0.000 0.269 352 S C -0.767 173.854 174.600 0.034 0.000 1.154 352 S CA -0.807 57.425 58.200 0.054 0.000 0.824 352 S CB 1.501 64.735 63.200 0.056 0.000 1.118 352 S HN 0.780 nan 8.310 nan 0.000 0.462 353 I N 1.515 122.103 120.570 0.030 0.000 2.276 353 I HA 0.460 4.630 4.170 -0.000 0.000 0.290 353 I C -0.119 176.019 176.117 0.034 0.000 1.109 353 I CA 0.085 61.398 61.300 0.022 0.000 1.229 353 I CB 0.242 38.245 38.000 0.004 0.000 1.452 353 I HN 0.620 nan 8.210 nan 0.000 0.497 354 E N 6.472 126.688 120.200 0.028 0.000 2.356 354 E HA 0.405 4.755 4.350 -0.000 0.000 0.275 354 E C -2.619 173.993 176.600 0.019 0.000 0.904 354 E CA -2.161 54.252 56.400 0.022 0.000 0.757 354 E CB 2.448 32.159 29.700 0.018 0.000 1.232 354 E HN 0.159 nan 8.360 nan 0.000 0.442 355 P HA -0.032 nan 4.420 nan 0.000 0.264 355 P C 0.610 177.917 177.300 0.012 0.000 1.183 355 P CA 1.312 64.420 63.100 0.013 0.000 0.763 355 P CB 0.428 32.132 31.700 0.005 0.000 0.807 356 G N 1.885 110.693 108.800 0.014 0.000 2.258 356 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.233 356 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.233 356 G C 0.146 175.055 174.900 0.015 0.000 1.006 356 G CA -0.240 44.868 45.100 0.013 0.000 0.620 356 G HN 0.530 nan 8.290 nan 0.000 0.511 357 K N 1.202 121.612 120.400 0.017 0.000 2.107 357 K HA 0.400 4.720 4.320 -0.000 0.000 0.251 357 K C -0.471 176.141 176.600 0.020 0.000 1.012 357 K CA -0.707 55.590 56.287 0.018 0.000 0.920 357 K CB 0.585 33.096 32.500 0.020 0.000 1.033 357 K HN 0.131 nan 8.250 nan 0.000 0.478 358 D N 0.892 121.304 120.400 0.019 0.000 2.488 358 D HA 0.013 4.653 4.640 -0.000 0.000 0.238 358 D C -0.001 176.316 176.300 0.028 0.000 1.138 358 D CA 0.286 54.300 54.000 0.023 0.000 0.873 358 D CB 0.557 41.367 40.800 0.018 0.000 1.183 358 D HN 0.510 nan 8.370 nan 0.000 0.458 359 A N 2.770 125.614 122.820 0.040 0.000 3.063 359 A HA 0.107 4.427 4.320 -0.000 0.000 0.263 359 A C -0.477 177.145 177.584 0.064 0.000 1.736 359 A CA -0.475 51.589 52.037 0.046 0.000 1.408 359 A CB -0.332 18.707 19.000 0.064 0.000 1.108 359 A HN 0.241 nan 8.150 nan 0.000 0.621 360 D N 1.376 121.802 120.400 0.042 0.000 2.428 360 D HA 0.522 5.162 4.640 -0.000 0.000 0.221 360 D C -0.436 175.878 176.300 0.023 0.000 1.123 360 D CA 0.472 54.501 54.000 0.048 0.000 0.869 360 D CB 1.013 41.827 40.800 0.023 0.000 1.032 360 D HN 0.361 nan 8.370 nan 0.000 0.506 361 L N 1.365 122.617 121.223 0.048 0.000 2.431 361 L HA 0.560 4.900 4.340 -0.000 0.000 0.266 361 L C -0.714 176.182 176.870 0.043 0.000 0.978 361 L CA -1.116 53.713 54.840 -0.018 0.000 0.822 361 L CB 2.528 44.470 42.059 -0.195 0.000 1.310 361 L HN -0.057 nan 8.230 nan 0.000 0.409 362 V N 2.959 122.886 119.914 0.021 0.000 2.540 362 V HA 0.403 4.523 4.120 -0.000 0.000 0.302 362 V C -0.221 175.918 176.094 0.075 0.000 1.035 362 V CA -0.730 61.571 62.300 0.000 0.000 0.873 362 V CB 2.308 34.072 31.823 -0.098 0.000 0.992 362 V HN 0.406 nan 8.190 nan 0.000 0.428 363 V N 4.229 124.162 119.914 0.031 0.000 2.348 363 V HA 0.358 4.478 4.120 -0.000 0.000 0.270 363 V C -0.653 175.480 176.094 0.066 0.000 1.037 363 V CA -0.417 61.954 62.300 0.118 0.000 0.872 363 V CB 0.726 32.640 31.823 0.151 0.000 1.002 363 V HN 0.858 nan 8.190 nan 0.000 0.464 364 W N 2.456 123.840 121.300 0.140 0.000 2.512 364 W HA 0.414 5.074 4.660 -0.000 0.000 0.335 364 W C 1.577 178.187 176.519 0.152 0.000 1.088 364 W CA -0.371 57.027 57.345 0.088 0.000 1.236 364 W CB 1.750 31.193 29.460 -0.029 0.000 1.307 364 W HN 0.626 nan 8.180 nan 0.000 0.567 365 S N 0.771 116.677 115.700 0.342 0.000 2.481 365 S HA 0.304 4.774 4.470 -0.000 0.000 0.231 365 S C 0.657 175.410 174.600 0.254 0.000 0.996 365 S CA 0.658 59.021 58.200 0.272 0.000 0.942 365 S CB -0.176 63.135 63.200 0.186 0.000 0.768 365 S HN 0.620 nan 8.310 nan 0.000 0.520 366 G N -0.505 108.345 108.800 0.084 0.000 2.663 366 G HA2 0.384 4.344 3.960 -0.000 0.000 0.299 366 G HA3 0.384 4.344 3.960 -0.000 0.000 0.299 366 G C -1.601 172.765 174.900 -0.891 0.000 1.372 366 G CA -0.838 44.014 45.100 -0.413 0.000 0.781 366 G HN 0.244 nan 8.290 nan 0.000 0.491 367 H N 0.683 119.041 119.070 -1.186 0.000 3.001 367 H HA 0.113 4.669 4.556 -0.000 0.000 0.334 367 H C -1.482 173.334 175.328 -0.853 0.000 1.034 367 H CA -0.602 54.851 56.048 -0.992 0.000 1.420 367 H CB 1.917 31.304 29.762 -0.625 0.000 1.405 367 H HN -0.006 nan 8.280 nan 0.000 0.593 368 P HA -0.108 nan 4.420 nan 0.000 0.222 368 P C 0.709 177.730 177.300 -0.464 0.000 1.147 368 P CA 0.935 63.134 63.100 -1.501 0.000 0.790 368 P CB 0.069 30.451 31.700 -2.197 0.000 0.780 369 F N -1.175 118.655 119.950 -0.200 0.000 2.797 369 F HA 0.180 4.707 4.527 -0.000 0.000 0.302 369 F C 1.163 176.882 175.800 -0.136 0.000 1.130 369 F CA -0.721 57.194 58.000 -0.141 0.000 1.387 369 F CB -0.987 37.945 39.000 -0.113 0.000 1.107 369 F HN -0.026 nan 8.300 nan 0.000 0.577 373 S N 1.805 117.567 115.700 0.103 0.000 2.562 373 S HA 0.295 4.765 4.470 -0.000 0.000 0.281 373 S C -0.004 174.773 174.600 0.295 0.000 1.333 373 S CA -0.483 57.824 58.200 0.179 0.000 1.052 373 S CB 1.148 64.423 63.200 0.125 0.000 0.884 373 S HN 0.206 nan 8.310 nan 0.000 0.506 374 V N 0.516 120.588 119.914 0.264 0.000 2.914 374 V HA 0.690 4.810 4.120 -0.000 0.000 0.314 374 V C -0.359 175.704 176.094 -0.051 0.000 1.084 374 V CA -1.039 61.342 62.300 0.136 0.000 0.963 374 V CB 1.618 33.495 31.823 0.089 0.000 1.025 374 V HN 0.489 nan 8.190 nan 0.000 0.432 375 V N 3.427 123.119 119.914 -0.370 0.000 2.470 375 V HA 0.266 4.386 4.120 -0.000 0.000 0.276 375 V C 1.125 177.163 176.094 -0.093 0.000 1.040 375 V CA 0.315 62.273 62.300 -0.570 0.000 1.008 375 V CB 0.442 31.764 31.823 -0.835 0.000 0.990 375 V HN 1.094 nan 8.190 nan 0.000 0.477 376 E N 4.353 124.523 120.200 -0.049 0.000 2.201 376 E HA 0.202 4.552 4.350 -0.000 0.000 0.193 376 E C 0.357 177.000 176.600 0.071 0.000 0.957 376 E CA 0.339 56.769 56.400 0.050 0.000 0.858 376 E CB 0.580 30.319 29.700 0.065 0.000 0.816 376 E HN 0.551 nan 8.360 nan 0.000 0.475 377 R N 0.425 120.972 120.500 0.078 0.000 2.604 377 R HA 0.450 4.790 4.340 -0.000 0.000 0.270 377 R C -1.545 174.789 176.300 0.056 0.000 1.052 377 R CA -0.440 55.703 56.100 0.072 0.000 0.902 377 R CB 2.657 33.017 30.300 0.101 0.000 1.233 377 R HN -0.154 nan 8.270 nan 0.000 0.455 378 V N 2.950 122.873 119.914 0.014 0.000 2.588 378 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 378 V C -1.310 174.703 176.094 -0.136 0.000 1.042 378 V CA -0.845 61.453 62.300 -0.003 0.000 0.877 378 V CB 1.738 33.561 31.823 0.000 0.000 0.996 378 V HN 0.587 nan 8.190 nan 0.000 0.425 379 Y N 4.161 124.493 120.300 0.053 0.000 2.393 379 Y HA 0.721 5.271 4.550 -0.000 0.000 0.341 379 Y C 0.001 175.930 175.900 0.048 0.000 0.988 379 Y CA -0.780 57.365 58.100 0.074 0.000 1.078 379 Y CB 1.923 40.449 38.460 0.109 0.000 1.203 379 Y HN 0.424 nan 8.280 nan 0.000 0.453 380 I N 3.282 123.961 120.570 0.183 0.000 2.466 380 I HA 0.217 4.387 4.170 -0.000 0.000 0.289 380 I C -0.783 175.404 176.117 0.116 0.000 1.026 380 I CA -0.767 60.603 61.300 0.117 0.000 1.078 380 I CB 1.844 39.892 38.000 0.079 0.000 1.249 380 I HN 0.716 nan 8.210 nan 0.000 0.429 381 D N 4.998 125.452 120.400 0.091 0.000 2.737 381 D HA -0.220 4.420 4.640 -0.000 0.000 0.233 381 D C 1.129 177.498 176.300 0.114 0.000 1.155 381 D CA 1.508 55.557 54.000 0.081 0.000 0.667 381 D CB -1.039 39.796 40.800 0.058 0.000 1.060 381 D HN 1.177 nan 8.370 nan 0.000 0.427 382 G N -1.990 106.911 108.800 0.169 0.000 2.162 382 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 382 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 382 G C 0.318 175.399 174.900 0.302 0.000 0.976 382 G CA 0.322 45.548 45.100 0.209 0.000 0.655 382 G HN 0.595 nan 8.290 nan 0.000 0.533 383 V N 0.982 121.055 119.914 0.266 0.000 2.370 383 V HA 0.431 4.551 4.120 -0.000 0.000 0.283 383 V C 0.687 176.867 176.094 0.143 0.000 1.023 383 V CA -0.778 61.642 62.300 0.200 0.000 0.857 383 V CB 1.781 33.668 31.823 0.106 0.000 0.985 383 V HN 0.427 nan 8.190 nan 0.000 0.443 384 E N 3.149 123.352 120.200 0.005 0.000 2.417 384 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 384 E C 0.599 177.103 176.600 -0.161 0.000 1.000 384 E CA 0.014 56.179 56.400 -0.392 0.000 0.919 384 E CB 1.104 30.527 29.700 -0.461 0.000 0.955 384 E HN 0.693 nan 8.360 nan 0.000 0.455 385 V N 2.697 122.539 119.914 -0.121 0.000 3.556 385 V HA 0.397 4.517 4.120 -0.000 0.000 0.287 385 V C -0.157 175.976 176.094 0.065 0.000 1.422 385 V CA -0.329 61.971 62.300 -0.000 0.000 1.038 385 V CB -0.186 31.674 31.823 0.061 0.000 0.850 385 V HN 0.495 nan 8.190 nan 0.000 0.437 386 F N 1.095 120.945 119.950 -0.168 0.000 2.604 386 F HA 0.759 5.286 4.527 -0.000 0.000 0.316 386 F C -0.821 174.876 175.800 -0.172 0.000 1.136 386 F CA -0.930 56.981 58.000 -0.148 0.000 0.989 386 F CB 1.637 40.556 39.000 -0.135 0.000 1.258 386 F HN 0.027 nan 8.300 nan 0.000 0.451 387 R N 5.396 125.350 120.500 -0.910 0.000 2.538 387 R HA 0.419 4.759 4.340 -0.000 0.000 0.292 387 R C -0.956 174.801 176.300 -0.906 0.000 1.008 387 R CA -0.985 54.714 56.100 -0.668 0.000 0.896 387 R CB 1.562 31.654 30.300 -0.346 0.000 1.187 387 R HN 0.913 nan 8.270 nan 0.000 0.440 388 R N 3.477 123.638 120.500 -0.565 0.000 2.538 388 R HA 0.004 4.344 4.340 -0.000 0.000 0.282 388 R C -0.831 175.333 176.300 -0.227 0.000 1.009 388 R CA 0.920 56.830 56.100 -0.316 0.000 1.063 388 R CB 0.437 30.720 30.300 -0.029 0.000 0.945 388 R HN 0.914 nan 8.270 nan 0.000 0.414 389 E N 0.000 120.093 120.200 -0.178 0.000 2.725 389 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 389 E CA 0.000 56.337 56.400 -0.104 0.000 0.976 389 E CB 0.000 29.645 29.700 -0.092 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440