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 2qpt_1_A DATA FIRST_RESID 19 DATA SEQUENCE RTVTSSLKEL YRTKLLPLEE HYRFGSFHSP ALEDADFDGK PMVLVAGQYS DATA SEQUENCE TGKTSFIQYL LEQEVPGSRV GPEPTTDCFV AVMHGETEGT VPGXXXXXXX DATA SEQUENCE XXXXXXXXXX XNTFLNRFMC AQLPNQVLES ISIIDTPGIL SXXXXXXXRG DATA SEQUENCE YDFPAVLRWF AERVDLIILL FDAHKLEISD EFSEAIGALR GHEDKIRVVL DATA SEQUENCE NKADMVETQQ LMRVYGALMW ALGKVVGTPE VLRVYIGSFW SQPLLVPDNR DATA SEQUENCE RLFELEEQDL FRDIQGLPRH AALRKLNDLV KRARLVRVHA YIISYLKKEM DATA SEQUENCE PTVFGKENKK KQLILKLPVI FAKIQLEHHI SPGDFPDCQK MQELLMAHDF DATA SEQUENCE TKFHSLKPKL LEALDDMLAQ DIAKLMPLLR QEELESVEAG VAGGAFEGTR DATA SEQUENCE MGPFVXXXXX XXXXXXXXXX XXXXEWVVTK DKSKYDEIFY NLAPADGKLS DATA SEQUENCE GSKAKTWMVG TKLPNSVLGR IWKLSDVDRD GMLDDEEFAL ASHLIEAKLE DATA SEQUENCE GHGLPTNLPR RLVPPSKRRQ 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.296 176.300 -0.007 0.000 0.893 19 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 19 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 20 T N -2.162 112.389 114.554 -0.004 0.000 2.914 20 T HA 0.294 4.643 4.350 -0.001 0.000 0.313 20 T C 1.168 175.871 174.700 0.005 0.000 1.137 20 T CA -0.009 62.092 62.100 0.003 0.000 0.946 20 T CB 1.200 70.073 68.868 0.008 0.000 1.558 20 T HN -0.026 nan 8.240 nan 0.000 0.565 21 V N 0.827 120.750 119.914 0.015 0.000 2.500 21 V HA -0.016 4.103 4.120 -0.001 0.000 0.243 21 V C 3.006 179.121 176.094 0.035 0.000 1.039 21 V CA 2.459 64.772 62.300 0.022 0.000 1.053 21 V CB -1.031 30.807 31.823 0.026 0.000 0.695 21 V HN 1.197 nan 8.190 nan 0.000 0.463 22 T N -1.535 113.049 114.554 0.050 0.000 2.788 22 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 22 T C 2.147 176.867 174.700 0.033 0.000 1.044 22 T CA 2.267 64.422 62.100 0.093 0.000 1.139 22 T CB -0.774 68.167 68.868 0.123 0.000 0.867 22 T HN 0.653 nan 8.240 nan 0.000 0.454 23 S N 1.025 116.722 115.700 -0.006 0.000 2.359 23 S HA -0.191 4.279 4.470 -0.001 0.000 0.223 23 S C 2.421 176.980 174.600 -0.069 0.000 1.039 23 S CA 2.086 60.254 58.200 -0.055 0.000 1.042 23 S CB -1.283 61.897 63.200 -0.033 0.000 0.915 23 S HN 0.559 nan 8.310 nan 0.000 0.439 24 S N 0.662 116.344 115.700 -0.030 0.000 2.359 24 S HA -0.031 4.439 4.470 -0.001 0.000 0.224 24 S C 1.833 176.423 174.600 -0.017 0.000 1.035 24 S CA 1.317 59.504 58.200 -0.023 0.000 1.018 24 S CB -0.723 62.474 63.200 -0.005 0.000 0.876 24 S HN 0.425 nan 8.310 nan 0.000 0.448 25 L N 1.944 123.175 121.223 0.013 0.000 2.013 25 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 25 L C 2.350 179.212 176.870 -0.014 0.000 1.073 25 L CA 1.965 56.842 54.840 0.063 0.000 0.753 25 L CB -1.055 41.104 42.059 0.167 0.000 0.890 25 L HN 0.320 nan 8.230 nan 0.000 0.432 26 K N -0.915 119.334 120.400 -0.252 0.000 2.026 26 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 26 K C 2.049 178.513 176.600 -0.226 0.000 1.048 26 K CA 1.324 57.247 56.287 -0.607 0.000 0.929 26 K CB 0.021 32.059 32.500 -0.770 0.000 0.713 26 K HN 0.157 nan 8.250 nan 0.000 0.439 27 E N 0.704 120.819 120.200 -0.142 0.000 2.051 27 E HA -0.184 4.165 4.350 -0.001 0.000 0.192 27 E C 2.060 178.631 176.600 -0.048 0.000 0.991 27 E CA 0.881 57.231 56.400 -0.084 0.000 0.799 27 E CB -0.327 29.333 29.700 -0.067 0.000 0.748 27 E HN 0.189 nan 8.360 nan 0.000 0.449 28 L N 0.433 121.645 121.223 -0.019 0.000 1.997 28 L HA -0.241 4.098 4.340 -0.001 0.000 0.216 28 L C 2.403 179.291 176.870 0.031 0.000 1.074 28 L CA 1.697 56.541 54.840 0.007 0.000 0.763 28 L CB -1.259 40.819 42.059 0.032 0.000 0.890 28 L HN 0.226 nan 8.230 nan 0.000 0.434 29 Y N 0.524 120.798 120.300 -0.043 0.000 2.049 29 Y HA -0.321 4.229 4.550 -0.001 0.000 0.277 29 Y C 2.948 178.825 175.900 -0.037 0.000 1.143 29 Y CA 2.286 60.378 58.100 -0.014 0.000 1.115 29 Y CB -0.462 38.033 38.460 0.059 0.000 0.975 29 Y HN 0.113 nan 8.280 nan 0.000 0.487 30 R N -0.446 119.948 120.500 -0.176 0.000 2.117 30 R HA -0.172 4.167 4.340 -0.001 0.000 0.243 30 R C 2.008 178.167 176.300 -0.236 0.000 1.143 30 R CA 2.311 58.253 56.100 -0.263 0.000 0.968 30 R CB -0.515 29.720 30.300 -0.108 0.000 0.863 30 R HN 0.631 nan 8.270 nan 0.000 0.444 31 T N -2.683 111.775 114.554 -0.160 0.000 3.040 31 T HA 0.166 4.515 4.350 -0.001 0.000 0.252 31 T C 1.605 176.229 174.700 -0.125 0.000 1.064 31 T CA 0.073 62.098 62.100 -0.125 0.000 1.110 31 T CB 0.331 69.149 68.868 -0.084 0.000 0.921 31 T HN 0.049 nan 8.240 nan 0.000 0.480 32 K N 0.109 120.431 120.400 -0.130 0.000 2.350 32 K HA 0.463 4.782 4.320 -0.001 0.000 0.196 32 K C 1.852 178.375 176.600 -0.128 0.000 1.084 32 K CA 0.130 56.355 56.287 -0.103 0.000 0.967 32 K CB 0.211 32.675 32.500 -0.061 0.000 0.950 32 K HN 0.308 nan 8.250 nan 0.000 0.512 33 L N 0.191 121.296 121.223 -0.196 0.000 2.347 33 L HA 0.040 4.379 4.340 -0.001 0.000 0.196 33 L C 2.085 178.773 176.870 -0.303 0.000 1.072 33 L CA 0.154 54.870 54.840 -0.207 0.000 0.817 33 L CB -0.154 41.860 42.059 -0.075 0.000 1.029 33 L HN -0.028 nan 8.230 nan 0.000 0.478 34 L N 1.464 122.332 121.223 -0.592 0.000 2.064 34 L HA -0.180 4.159 4.340 -0.001 0.000 0.216 34 L C -0.715 176.039 176.870 -0.192 0.000 1.077 34 L CA 2.436 56.992 54.840 -0.473 0.000 0.766 34 L CB -1.621 40.093 42.059 -0.575 0.000 0.890 34 L HN 0.092 nan 8.230 nan 0.000 0.435 35 P HA -0.160 nan 4.420 nan 0.000 0.217 35 P C 2.196 179.479 177.300 -0.028 0.000 1.150 35 P CA 1.374 64.414 63.100 -0.100 0.000 0.832 35 P CB -0.009 31.620 31.700 -0.118 0.000 0.787 36 L N -0.553 120.662 121.223 -0.013 0.000 2.095 36 L HA -0.111 4.229 4.340 -0.001 0.000 0.204 36 L C 2.325 179.310 176.870 0.192 0.000 1.080 36 L CA 1.507 56.414 54.840 0.112 0.000 0.759 36 L CB -0.515 41.560 42.059 0.027 0.000 0.914 36 L HN -0.096 nan 8.230 nan 0.000 0.439 37 E N -0.357 119.884 120.200 0.067 0.000 2.049 37 E HA -0.263 4.086 4.350 -0.001 0.000 0.198 37 E C 2.012 178.761 176.600 0.249 0.000 1.007 37 E CA 1.454 57.941 56.400 0.147 0.000 0.809 37 E CB -0.108 29.632 29.700 0.066 0.000 0.749 37 E HN 0.458 nan 8.360 nan 0.000 0.450 38 E N 0.022 120.315 120.200 0.156 0.000 2.110 38 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 38 E C 2.026 178.730 176.600 0.174 0.000 0.988 38 E CA 0.886 57.377 56.400 0.152 0.000 0.804 38 E CB -0.297 29.449 29.700 0.077 0.000 0.745 38 E HN 0.483 nan 8.360 nan 0.000 0.458 39 H N -1.050 118.008 119.070 -0.022 0.000 2.333 39 H HA -0.087 4.469 4.556 -0.000 0.000 0.302 39 H C 0.764 175.981 175.328 -0.186 0.000 1.075 39 H CA 0.965 56.872 56.048 -0.234 0.000 1.348 39 H CB 0.233 29.719 29.762 -0.460 0.000 1.393 39 H HN 0.147 nan 8.280 nan 0.000 0.509 40 Y N 0.296 120.695 120.300 0.166 0.000 2.532 40 Y HA 0.193 4.742 4.550 -0.001 0.000 0.283 40 Y C 0.469 176.593 175.900 0.373 0.000 1.181 40 Y CA -0.283 57.916 58.100 0.165 0.000 1.256 40 Y CB 0.352 38.858 38.460 0.078 0.000 1.112 40 Y HN 0.043 nan 8.280 nan 0.000 0.521 41 R N -0.781 119.986 120.500 0.445 0.000 3.422 41 R HA -0.278 4.062 4.340 -0.001 0.000 0.267 41 R C 0.924 177.546 176.300 0.536 0.000 1.074 41 R CA 0.443 56.821 56.100 0.463 0.000 0.718 41 R CB -2.614 27.985 30.300 0.498 0.000 1.157 41 R HN 0.578 nan 8.270 nan 0.000 0.440 42 F N -0.007 120.119 119.950 0.293 0.000 2.192 42 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 42 F C 2.303 178.211 175.800 0.179 0.000 1.079 42 F CA 2.171 60.251 58.000 0.133 0.000 1.303 42 F CB -0.121 38.934 39.000 0.093 0.000 1.024 42 F HN 0.329 nan 8.300 nan 0.000 0.494 43 G N -1.459 107.503 108.800 0.270 0.000 2.448 43 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.219 43 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.219 43 G C 1.418 176.339 174.900 0.035 0.000 1.127 43 G CA 0.974 46.163 45.100 0.147 0.000 0.766 43 G HN 0.402 nan 8.290 nan 0.000 0.552 44 S N -0.638 115.093 115.700 0.052 0.000 2.582 44 S HA 0.407 4.876 4.470 -0.001 0.000 0.234 44 S C 0.582 174.954 174.600 -0.379 0.000 0.961 44 S CA -0.344 57.802 58.200 -0.090 0.000 0.953 44 S CB 0.018 63.218 63.200 0.000 0.000 0.800 44 S HN 0.327 nan 8.310 nan 0.000 0.471 45 F N -0.411 119.378 119.950 -0.267 0.000 2.675 45 F HA 0.330 4.857 4.527 -0.002 0.000 0.315 45 F C 1.878 177.131 175.800 -0.912 0.000 0.888 45 F CA 0.113 57.769 58.000 -0.574 0.000 1.100 45 F CB 0.448 39.039 39.000 -0.683 0.000 0.908 45 F HN 0.198 nan 8.300 nan 0.000 0.657 46 H N -2.592 116.225 119.070 -0.422 0.000 2.010 46 H HA 0.424 4.980 4.556 -0.001 0.000 0.175 46 H C -0.094 175.046 175.328 -0.314 0.000 0.966 46 H CA 0.435 56.195 56.048 -0.480 0.000 1.080 46 H CB 0.733 29.956 29.762 -0.898 0.000 1.072 46 H HN -0.158 nan 8.280 nan 0.000 0.373 47 S N 2.539 118.074 115.700 -0.276 0.000 2.541 47 S HA 0.384 4.854 4.470 -0.001 0.000 0.280 47 S C -2.635 172.079 174.600 0.190 0.000 1.112 47 S CA -1.067 57.189 58.200 0.093 0.000 0.925 47 S CB 2.823 66.189 63.200 0.276 0.000 1.067 47 S HN 0.033 nan 8.310 nan 0.000 0.479 48 P HA 0.311 nan 4.420 nan 0.000 0.274 48 P C -0.838 176.602 177.300 0.233 0.000 1.246 48 P CA -0.420 62.791 63.100 0.185 0.000 0.795 48 P CB 0.341 32.123 31.700 0.137 0.000 1.006 49 A N 1.777 124.736 122.820 0.232 0.000 2.425 49 A HA 0.305 4.625 4.320 -0.001 0.000 0.242 49 A C 0.548 178.266 177.584 0.223 0.000 1.077 49 A CA -0.346 51.861 52.037 0.283 0.000 0.781 49 A CB -0.628 18.526 19.000 0.258 0.000 1.020 49 A HN 0.491 nan 8.150 nan 0.000 0.494 50 L N 1.199 122.562 121.223 0.234 0.000 2.453 50 L HA 0.309 4.648 4.340 -0.001 0.000 0.261 50 L C 0.580 177.564 176.870 0.190 0.000 1.179 50 L CA -0.306 54.587 54.840 0.088 0.000 0.813 50 L CB 0.394 42.350 42.059 -0.172 0.000 1.110 50 L HN 0.830 nan 8.230 nan 0.000 0.466 51 E N 0.085 120.370 120.200 0.141 0.000 2.601 51 E HA 0.136 4.486 4.350 -0.001 0.000 0.250 51 E C -0.283 176.463 176.600 0.245 0.000 1.099 51 E CA -0.738 55.755 56.400 0.155 0.000 0.968 51 E CB 0.683 30.439 29.700 0.094 0.000 1.290 51 E HN 0.456 nan 8.360 nan 0.000 0.505 52 D N 0.004 120.512 120.400 0.179 0.000 2.277 52 D HA -0.010 4.630 4.640 -0.001 0.000 0.208 52 D C 1.523 177.951 176.300 0.213 0.000 0.962 52 D CA 0.791 54.915 54.000 0.207 0.000 0.865 52 D CB -0.200 40.650 40.800 0.084 0.000 0.939 52 D HN 0.443 nan 8.370 nan 0.000 0.510 53 A N 1.234 124.128 122.820 0.122 0.000 2.019 53 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 53 A C 1.170 178.762 177.584 0.014 0.000 1.164 53 A CA 1.516 53.590 52.037 0.062 0.000 0.644 53 A CB -0.259 18.764 19.000 0.038 0.000 0.805 53 A HN 0.211 nan 8.150 nan 0.000 0.449 54 D N -2.398 117.980 120.400 -0.036 0.000 2.342 54 D HA 0.213 4.853 4.640 -0.001 0.000 0.221 54 D C 0.583 176.629 176.300 -0.424 0.000 1.101 54 D CA -0.068 53.788 54.000 -0.241 0.000 0.837 54 D CB -0.314 40.269 40.800 -0.362 0.000 0.938 54 D HN 0.457 nan 8.370 nan 0.000 0.508 55 F N 0.418 120.325 119.950 -0.071 0.000 2.667 55 F HA 0.221 4.747 4.527 -0.001 0.000 0.288 55 F C 0.844 176.621 175.800 -0.038 0.000 1.086 55 F CA -0.211 57.754 58.000 -0.059 0.000 1.297 55 F CB 0.651 39.621 39.000 -0.050 0.000 1.059 55 F HN -0.192 nan 8.300 nan 0.000 0.624 56 D N 0.393 120.881 120.400 0.148 0.000 2.772 56 D HA 0.288 4.928 4.640 -0.001 0.000 0.272 56 D C 0.492 176.817 176.300 0.040 0.000 1.314 56 D CA 0.323 54.372 54.000 0.082 0.000 0.835 56 D CB 0.552 41.397 40.800 0.076 0.000 1.080 56 D HN 0.176 nan 8.370 nan 0.000 0.482 57 G N -0.066 108.744 108.800 0.018 0.000 2.533 57 G HA2 0.393 4.352 3.960 -0.001 0.000 0.304 57 G HA3 0.393 4.352 3.960 -0.001 0.000 0.304 57 G C -0.414 174.484 174.900 -0.004 0.000 1.263 57 G CA -0.735 44.369 45.100 0.007 0.000 0.964 57 G HN -0.159 nan 8.290 nan 0.000 0.479 58 K N 1.883 122.285 120.400 0.003 0.000 2.451 58 K HA 0.196 4.516 4.320 -0.001 0.000 0.280 58 K C -1.873 174.724 176.600 -0.006 0.000 1.020 58 K CA -0.803 55.482 56.287 -0.004 0.000 1.008 58 K CB 0.607 33.111 32.500 0.005 0.000 0.917 58 K HN 0.252 nan 8.250 nan 0.000 0.478 59 P HA -0.104 nan 4.420 nan 0.000 0.264 59 P C -0.785 176.516 177.300 0.002 0.000 1.183 59 P CA 0.612 63.697 63.100 -0.024 0.000 0.763 59 P CB 0.510 32.184 31.700 -0.042 0.000 0.807 60 M N 2.407 122.016 119.600 0.015 0.000 2.423 60 M HA 0.395 4.875 4.480 -0.001 0.000 0.335 60 M C 0.211 176.533 176.300 0.037 0.000 1.177 60 M CA -0.946 54.383 55.300 0.047 0.000 1.038 60 M CB 1.958 34.613 32.600 0.090 0.000 1.641 60 M HN 0.167 nan 8.290 nan 0.000 0.455 61 V N 1.688 121.631 119.914 0.048 0.000 2.628 61 V HA 0.762 4.881 4.120 -0.001 0.000 0.306 61 V C -1.299 174.810 176.094 0.025 0.000 1.045 61 V CA -0.886 61.444 62.300 0.050 0.000 0.905 61 V CB 1.815 33.692 31.823 0.091 0.000 0.997 61 V HN 0.879 nan 8.190 nan 0.000 0.436 62 L N 5.124 126.343 121.223 -0.006 0.000 2.313 62 L HA 0.767 5.106 4.340 -0.001 0.000 0.283 62 L C -0.853 175.986 176.870 -0.053 0.000 1.013 62 L CA -0.512 54.281 54.840 -0.078 0.000 0.816 62 L CB 1.767 43.735 42.059 -0.152 0.000 1.236 62 L HN 0.701 nan 8.230 nan 0.000 0.419 63 V N 5.128 125.007 119.914 -0.058 0.000 2.347 63 V HA 0.828 4.947 4.120 -0.001 0.000 0.280 63 V C 0.263 176.289 176.094 -0.113 0.000 1.021 63 V CA -0.173 62.086 62.300 -0.069 0.000 0.847 63 V CB 0.773 32.602 31.823 0.010 0.000 0.990 63 V HN 0.896 nan 8.190 nan 0.000 0.444 64 A N 3.569 126.312 122.820 -0.128 0.000 2.479 64 A HA 1.093 5.413 4.320 -0.001 0.000 0.296 64 A C 0.029 177.527 177.584 -0.142 0.000 1.121 64 A CA -0.166 51.789 52.037 -0.137 0.000 0.743 64 A CB 2.203 21.122 19.000 -0.135 0.000 1.323 64 A HN 1.648 nan 8.150 nan 0.000 0.415 65 G N -0.743 107.945 108.800 -0.186 0.000 2.320 65 G HA2 0.500 4.460 3.960 -0.001 0.000 0.297 65 G HA3 0.500 4.460 3.960 -0.001 0.000 0.297 65 G C -1.092 173.716 174.900 -0.153 0.000 1.344 65 G CA -0.120 44.931 45.100 -0.082 0.000 0.851 65 G HN 1.203 nan 8.290 nan 0.000 0.567 66 Q N -0.870 118.948 119.800 0.029 0.000 2.162 66 Q HA 0.589 4.928 4.340 -0.001 0.000 0.197 66 Q C -0.511 175.415 176.000 -0.123 0.000 1.013 66 Q CA -0.916 54.803 55.803 -0.141 0.000 1.040 66 Q CB 1.049 29.797 28.738 0.017 0.000 1.114 66 Q HN 0.581 nan 8.270 nan 0.000 0.547 67 Y N 0.557 120.833 120.300 -0.039 0.000 2.811 67 Y HA -0.110 4.439 4.550 -0.001 0.000 0.334 67 Y C 0.617 176.496 175.900 -0.035 0.000 1.247 67 Y CA 0.860 58.930 58.100 -0.050 0.000 1.526 67 Y CB 0.419 38.851 38.460 -0.046 0.000 1.284 67 Y HN 0.806 nan 8.280 nan 0.000 0.586 68 S N 0.585 116.369 115.700 0.140 0.000 3.698 68 S HA -0.211 4.259 4.470 -0.001 0.000 0.338 68 S C 0.816 175.422 174.600 0.011 0.000 1.089 68 S CA 1.005 59.238 58.200 0.056 0.000 0.991 68 S CB -1.468 61.766 63.200 0.057 0.000 0.909 68 S HN 0.947 nan 8.310 nan 0.000 0.485 69 T N -0.257 114.290 114.554 -0.012 0.000 3.065 69 T HA 0.419 4.768 4.350 -0.001 0.000 0.252 69 T C 1.493 176.138 174.700 -0.091 0.000 1.099 69 T CA 0.656 62.724 62.100 -0.053 0.000 1.063 69 T CB 0.381 69.201 68.868 -0.080 0.000 0.948 69 T HN 1.537 nan 8.240 nan 0.000 0.506 70 G N 2.024 110.782 108.800 -0.071 0.000 2.167 70 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.194 70 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.194 70 G C 0.672 175.573 174.900 0.000 0.000 1.027 70 G CA 0.249 45.311 45.100 -0.063 0.000 0.717 70 G HN 0.427 nan 8.290 nan 0.000 0.501 71 K N -0.384 120.008 120.400 -0.014 0.000 1.985 71 K HA -0.063 4.257 4.320 -0.001 0.000 0.210 71 K C 2.695 179.368 176.600 0.120 0.000 1.047 71 K CA 2.056 58.355 56.287 0.018 0.000 0.932 71 K CB -0.356 32.121 32.500 -0.037 0.000 0.716 71 K HN 0.353 nan 8.250 nan 0.000 0.439 72 T N 0.800 115.398 114.554 0.074 0.000 2.720 72 T HA -0.152 4.198 4.350 -0.001 0.000 0.268 72 T C 2.133 176.910 174.700 0.130 0.000 1.037 72 T CA 1.673 63.825 62.100 0.086 0.000 1.144 72 T CB -0.311 68.591 68.868 0.055 0.000 0.864 72 T HN 0.117 nan 8.240 nan 0.000 0.444 73 S N 0.947 116.729 115.700 0.135 0.000 2.359 73 S HA -0.064 4.406 4.470 -0.001 0.000 0.224 73 S C 1.610 176.363 174.600 0.254 0.000 1.035 73 S CA 1.021 59.331 58.200 0.182 0.000 1.018 73 S CB -0.591 62.687 63.200 0.129 0.000 0.876 73 S HN 0.485 nan 8.310 nan 0.000 0.448 74 F N 2.367 122.367 119.950 0.083 0.000 2.063 74 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 74 F C 1.881 177.794 175.800 0.188 0.000 1.109 74 F CA 1.483 59.555 58.000 0.120 0.000 1.212 74 F CB -0.515 38.463 39.000 -0.037 0.000 0.973 74 F HN 0.145 nan 8.300 nan 0.000 0.480 75 I N -0.192 120.471 120.570 0.154 0.000 2.142 75 I HA -0.329 3.841 4.170 -0.001 0.000 0.240 75 I C 2.483 178.613 176.117 0.022 0.000 1.078 75 I CA 1.668 62.987 61.300 0.033 0.000 1.343 75 I CB -0.866 37.193 38.000 0.099 0.000 1.046 75 I HN 0.217 nan 8.210 nan 0.000 0.405 76 Q N 0.504 120.357 119.800 0.089 0.000 2.156 76 Q HA -0.314 4.025 4.340 -0.001 0.000 0.211 76 Q C 2.183 178.240 176.000 0.096 0.000 0.995 76 Q CA 2.356 58.216 55.803 0.095 0.000 0.877 76 Q CB -0.474 28.347 28.738 0.139 0.000 0.920 76 Q HN 0.626 nan 8.270 nan 0.000 0.416 77 Y N -0.494 119.800 120.300 -0.011 0.000 2.220 77 Y HA -0.102 4.448 4.550 -0.001 0.000 0.291 77 Y C 1.693 177.506 175.900 -0.145 0.000 1.129 77 Y CA 1.190 59.280 58.100 -0.016 0.000 1.161 77 Y CB 0.075 38.586 38.460 0.086 0.000 0.997 77 Y HN 0.117 nan 8.280 nan 0.000 0.522 78 L N -0.180 120.895 121.223 -0.246 0.000 2.083 78 L HA -0.237 4.102 4.340 -0.001 0.000 0.209 78 L C 1.944 178.601 176.870 -0.354 0.000 1.083 78 L CA 1.223 55.792 54.840 -0.452 0.000 0.752 78 L CB -0.340 41.503 42.059 -0.359 0.000 0.899 78 L HN 0.337 nan 8.230 nan 0.000 0.433 79 L N -1.362 119.755 121.223 -0.176 0.000 2.509 79 L HA 0.008 4.348 4.340 -0.001 0.000 0.222 79 L C 0.648 177.450 176.870 -0.113 0.000 1.123 79 L CA -0.049 54.732 54.840 -0.099 0.000 0.856 79 L CB -0.202 41.841 42.059 -0.026 0.000 0.985 79 L HN 0.185 nan 8.230 nan 0.000 0.456 80 E N 1.784 121.889 120.200 -0.159 0.000 2.294 80 E HA -0.271 4.078 4.350 -0.001 0.000 0.228 80 E C 0.077 176.647 176.600 -0.050 0.000 1.253 80 E CA 0.871 57.199 56.400 -0.121 0.000 0.716 80 E CB -0.926 28.674 29.700 -0.167 0.000 1.184 80 E HN 0.648 nan 8.360 nan 0.000 0.374 81 Q N -0.398 119.390 119.800 -0.020 0.000 2.479 81 Q HA 0.324 4.664 4.340 -0.001 0.000 0.276 81 Q C -1.227 174.785 176.000 0.020 0.000 0.989 81 Q CA -0.606 55.198 55.803 0.001 0.000 0.864 81 Q CB 1.575 30.312 28.738 -0.001 0.000 1.444 81 Q HN 0.128 nan 8.270 nan 0.000 0.388 82 E N 0.879 121.094 120.200 0.025 0.000 2.366 82 E HA 0.321 4.671 4.350 -0.001 0.000 0.266 82 E C -1.050 175.569 176.600 0.032 0.000 1.051 82 E CA -0.418 56.003 56.400 0.034 0.000 0.884 82 E CB 1.112 30.831 29.700 0.032 0.000 1.006 82 E HN 0.393 nan 8.360 nan 0.000 0.417 83 V N 6.745 126.682 119.914 0.037 0.000 2.461 83 V HA 0.084 4.203 4.120 -0.001 0.000 0.275 83 V C -1.582 174.530 176.094 0.031 0.000 1.047 83 V CA -1.211 61.111 62.300 0.036 0.000 0.955 83 V CB 0.903 32.751 31.823 0.041 0.000 0.988 83 V HN 0.822 nan 8.190 nan 0.000 0.471 84 P HA -0.175 nan 4.420 nan 0.000 0.216 84 P C 1.560 178.875 177.300 0.026 0.000 1.167 84 P CA 1.976 65.090 63.100 0.024 0.000 0.914 84 P CB 0.166 31.879 31.700 0.022 0.000 0.793 85 G N -1.881 106.938 108.800 0.031 0.000 2.459 85 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.213 85 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.213 85 G C 0.541 175.457 174.900 0.028 0.000 1.155 85 G CA 0.180 45.298 45.100 0.031 0.000 0.811 85 G HN 0.229 nan 8.290 nan 0.000 0.534 86 S N 1.530 117.247 115.700 0.029 0.000 2.465 86 S HA 0.534 5.003 4.470 -0.001 0.000 0.279 86 S C 0.199 174.816 174.600 0.030 0.000 1.201 86 S CA -0.609 57.606 58.200 0.025 0.000 1.053 86 S CB 1.101 64.316 63.200 0.025 0.000 0.953 86 S HN 0.167 nan 8.310 nan 0.000 0.488 87 R N 1.243 121.758 120.500 0.026 0.000 2.602 87 R HA 0.659 4.999 4.340 -0.001 0.000 0.237 87 R C -0.310 176.010 176.300 0.034 0.000 1.219 87 R CA -0.822 55.296 56.100 0.030 0.000 1.121 87 R CB 0.715 31.030 30.300 0.024 0.000 1.408 87 R HN 0.442 nan 8.270 nan 0.000 0.559 88 V N -0.853 119.085 119.914 0.040 0.000 2.760 88 V HA 0.882 5.001 4.120 -0.001 0.000 0.309 88 V C -0.704 175.414 176.094 0.040 0.000 1.077 88 V CA -0.134 62.194 62.300 0.046 0.000 0.910 88 V CB 1.922 33.789 31.823 0.072 0.000 1.008 88 V HN 0.872 nan 8.190 nan 0.000 0.424 89 G N 4.981 113.797 108.800 0.028 0.000 2.682 89 G HA2 0.680 4.639 3.960 -0.001 0.000 0.290 89 G HA3 0.680 4.639 3.960 -0.001 0.000 0.290 89 G C -2.480 172.427 174.900 0.012 0.000 1.425 89 G CA -0.197 44.915 45.100 0.020 0.000 0.807 89 G HN 0.642 nan 8.290 nan 0.000 0.482 90 P HA 0.087 nan 4.420 nan 0.000 0.199 90 P C 0.273 177.564 177.300 -0.014 0.000 1.169 90 P CA 0.711 63.813 63.100 0.005 0.000 0.900 90 P CB 0.092 31.796 31.700 0.007 0.000 0.733 91 E N 0.658 120.838 120.200 -0.033 0.000 2.366 91 E HA 0.196 4.545 4.350 -0.001 0.000 0.266 91 E C -2.065 174.468 176.600 -0.113 0.000 1.051 91 E CA -2.209 54.146 56.400 -0.075 0.000 0.884 91 E CB -0.729 28.925 29.700 -0.077 0.000 1.006 91 E HN 0.149 nan 8.360 nan 0.000 0.417 92 P HA -0.151 nan 4.420 nan 0.000 0.262 92 P C -0.044 177.163 177.300 -0.154 0.000 1.151 92 P CA 0.643 63.583 63.100 -0.268 0.000 0.757 92 P CB 0.409 31.709 31.700 -0.667 0.000 0.754 93 T N -0.623 113.882 114.554 -0.082 0.000 3.238 93 T HA 0.085 4.435 4.350 -0.001 0.000 0.242 93 T C 0.626 175.306 174.700 -0.033 0.000 0.980 93 T CA 0.386 62.458 62.100 -0.048 0.000 1.235 93 T CB -0.634 68.221 68.868 -0.021 0.000 1.069 93 T HN 0.477 nan 8.240 nan 0.000 0.407 94 T N 2.551 117.095 114.554 -0.017 0.000 2.845 94 T HA 0.534 4.884 4.350 -0.001 0.000 0.288 94 T C -1.008 173.685 174.700 -0.013 0.000 0.980 94 T CA -0.701 61.391 62.100 -0.013 0.000 1.071 94 T CB 1.152 70.011 68.868 -0.015 0.000 0.941 94 T HN 0.494 nan 8.240 nan 0.000 0.487 95 D N 1.235 121.630 120.400 -0.009 0.000 2.749 95 D HA 0.402 5.042 4.640 -0.001 0.000 0.338 95 D C 0.302 176.605 176.300 0.005 0.000 1.236 95 D CA -0.617 53.386 54.000 0.004 0.000 0.845 95 D CB -0.674 40.142 40.800 0.026 0.000 1.080 95 D HN 0.925 nan 8.370 nan 0.000 0.497 96 C N -2.161 117.095 119.300 -0.075 0.000 3.209 96 C HA 0.712 5.171 4.460 -0.001 0.000 0.353 96 C C -1.650 173.178 174.990 -0.270 0.000 1.436 96 C CA -1.279 57.689 59.018 -0.084 0.000 1.186 96 C CB 0.152 27.913 27.740 0.036 0.000 1.550 96 C HN 0.104 nan 8.230 nan 0.000 0.435 97 F N 1.590 121.366 119.950 -0.291 0.000 2.410 97 F HA 0.614 5.141 4.527 -0.001 0.000 0.349 97 F C 0.431 175.970 175.800 -0.435 0.000 1.117 97 F CA -0.517 57.199 58.000 -0.473 0.000 1.104 97 F CB 1.629 40.082 39.000 -0.911 0.000 1.122 97 F HN 0.500 nan 8.300 nan 0.000 0.483 98 V N 3.544 123.389 119.914 -0.114 0.000 2.334 98 V HA 0.541 4.661 4.120 -0.001 0.000 0.281 98 V C 0.115 176.233 176.094 0.039 0.000 1.016 98 V CA -1.056 61.234 62.300 -0.016 0.000 0.832 98 V CB 1.148 32.971 31.823 -0.000 0.000 0.999 98 V HN 0.868 nan 8.190 nan 0.000 0.439 99 A N 5.502 128.415 122.820 0.155 0.000 2.666 99 A HA 0.528 4.847 4.320 -0.001 0.000 0.312 99 A C 0.048 177.724 177.584 0.153 0.000 1.471 99 A CA -0.304 51.865 52.037 0.220 0.000 1.134 99 A CB -0.193 19.053 19.000 0.409 0.000 1.129 99 A HN 0.710 nan 8.150 nan 0.000 0.539 100 V N 4.869 124.848 119.914 0.107 0.000 2.403 100 V HA 0.308 4.428 4.120 -0.001 0.000 0.265 100 V C 0.409 176.563 176.094 0.099 0.000 1.034 100 V CA 0.568 62.922 62.300 0.089 0.000 1.036 100 V CB -0.774 31.091 31.823 0.071 0.000 1.032 100 V HN 0.948 nan 8.190 nan 0.000 0.478 101 M N 2.165 121.825 119.600 0.100 0.000 2.667 101 M HA 0.666 5.145 4.480 -0.001 0.000 0.286 101 M C -0.241 176.129 176.300 0.116 0.000 1.270 101 M CA -1.094 54.274 55.300 0.114 0.000 0.826 101 M CB 1.513 34.185 32.600 0.119 0.000 1.743 101 M HN 0.412 nan 8.290 nan 0.000 0.460 102 H N -0.258 118.834 119.070 0.037 0.000 2.765 102 H HA 0.676 5.231 4.556 -0.001 0.000 0.385 102 H C -0.098 175.246 175.328 0.028 0.000 1.562 102 H CA 1.676 57.740 56.048 0.026 0.000 1.473 102 H CB 0.537 30.309 29.762 0.017 0.000 1.536 102 H HN 1.018 nan 8.280 nan 0.000 0.610 103 G N 0.662 108.930 108.800 -0.887 0.000 2.368 103 G HA2 0.111 4.071 3.960 -0.001 0.000 0.303 103 G HA3 0.111 4.071 3.960 -0.001 0.000 0.303 103 G C -0.381 174.203 174.900 -0.527 0.000 1.590 103 G CA -0.016 44.794 45.100 -0.483 0.000 0.938 103 G HN 0.570 nan 8.290 nan 0.000 0.675 104 E N -0.376 119.670 120.200 -0.256 0.000 2.230 104 E HA 0.163 4.512 4.350 -0.001 0.000 0.192 104 E C 1.196 177.740 176.600 -0.093 0.000 0.987 104 E CA 1.377 57.690 56.400 -0.146 0.000 0.841 104 E CB 0.363 30.028 29.700 -0.059 0.000 0.783 104 E HN 0.537 nan 8.360 nan 0.000 0.481 105 T N 0.059 114.563 114.554 -0.083 0.000 2.888 105 T HA 0.292 4.641 4.350 -0.001 0.000 0.284 105 T C -0.841 173.831 174.700 -0.047 0.000 1.017 105 T CA -0.677 61.394 62.100 -0.048 0.000 1.022 105 T CB 0.963 69.813 68.868 -0.029 0.000 1.013 105 T HN -0.009 nan 8.240 nan 0.000 0.465 106 E N 1.567 121.750 120.200 -0.028 0.000 2.313 106 E HA 0.549 4.899 4.350 -0.001 0.000 0.276 106 E C 0.416 177.012 176.600 -0.007 0.000 1.031 106 E CA -0.127 56.263 56.400 -0.016 0.000 0.857 106 E CB 1.116 30.811 29.700 -0.007 0.000 1.040 106 E HN 0.916 nan 8.360 nan 0.000 0.408 107 G N 1.408 110.208 108.800 0.000 0.000 2.339 107 G HA2 0.159 4.118 3.960 -0.001 0.000 0.275 107 G HA3 0.159 4.118 3.960 -0.001 0.000 0.275 107 G C -0.771 174.139 174.900 0.018 0.000 1.323 107 G CA -0.242 44.863 45.100 0.009 0.000 0.927 107 G HN 0.615 nan 8.290 nan 0.000 0.486 108 T N -3.352 111.216 114.554 0.023 0.000 2.812 108 T HA 0.879 5.229 4.350 -0.001 0.000 0.294 108 T C -1.318 173.405 174.700 0.038 0.000 1.159 108 T CA -0.291 61.831 62.100 0.037 0.000 1.008 108 T CB 1.833 70.726 68.868 0.042 0.000 1.289 108 T HN 2.197 nan 8.240 nan 0.000 0.514 109 V N 1.795 121.741 119.914 0.053 0.000 2.809 109 V HA 0.551 4.671 4.120 -0.001 0.000 0.290 109 V C -2.852 173.287 176.094 0.075 0.000 1.305 109 V CA -1.672 60.659 62.300 0.052 0.000 0.939 109 V CB 2.681 34.528 31.823 0.040 0.000 1.081 109 V HN 0.935 nan 8.190 nan 0.000 0.439 110 P HA 0.399 nan 4.420 nan 0.000 0.219 110 P C 0.520 177.873 177.300 0.088 0.000 1.832 110 P CA 1.296 64.454 63.100 0.098 0.000 1.014 110 P CB 0.114 31.863 31.700 0.082 0.000 1.939 131 T N 0.027 114.234 114.554 -0.579 0.000 2.906 131 T HA 0.137 4.487 4.350 -0.001 0.000 0.329 131 T C -0.628 173.661 174.700 -0.686 0.000 1.091 131 T CA 0.557 62.283 62.100 -0.623 0.000 1.127 131 T CB -0.095 68.551 68.868 -0.370 0.000 1.035 131 T HN 0.136 nan 8.240 nan 0.000 0.547 132 F N 4.471 124.373 119.950 -0.080 0.000 2.460 132 F HA 0.459 4.985 4.527 -0.001 0.000 0.341 132 F C 0.310 176.088 175.800 -0.036 0.000 1.130 132 F CA -1.031 56.947 58.000 -0.036 0.000 0.962 132 F CB 1.487 40.492 39.000 0.008 0.000 1.171 132 F HN 0.317 nan 8.300 nan 0.000 0.436 133 L N 2.301 123.616 121.223 0.154 0.000 2.858 133 L HA 0.173 4.512 4.340 -0.001 0.000 0.251 133 L C 1.638 178.626 176.870 0.197 0.000 1.149 133 L CA 0.457 55.371 54.840 0.122 0.000 0.955 133 L CB -0.536 41.509 42.059 -0.023 0.000 1.289 133 L HN 0.618 nan 8.230 nan 0.000 0.542 134 N N 0.354 119.161 118.700 0.179 0.000 2.573 134 N HA -0.094 4.645 4.740 -0.001 0.000 0.187 134 N C 0.989 176.594 175.510 0.158 0.000 1.107 134 N CA 0.254 53.393 53.050 0.148 0.000 0.918 134 N CB 0.218 38.774 38.487 0.114 0.000 0.966 134 N HN 0.291 nan 8.380 nan 0.000 0.448 135 R N -0.467 120.147 120.500 0.190 0.000 2.480 135 R HA 0.147 4.487 4.340 -0.001 0.000 0.277 135 R C -1.008 175.435 176.300 0.237 0.000 1.008 135 R CA -0.020 56.190 56.100 0.183 0.000 1.090 135 R CB 0.153 30.537 30.300 0.141 0.000 1.234 135 R HN 0.080 nan 8.270 nan 0.000 0.549 136 F N 0.883 120.903 119.950 0.116 0.000 2.557 136 F HA 0.472 4.999 4.527 -0.001 0.000 0.316 136 F C -0.577 175.283 175.800 0.101 0.000 1.141 136 F CA -0.950 57.124 58.000 0.123 0.000 0.922 136 F CB 1.680 40.703 39.000 0.038 0.000 1.194 136 F HN -0.224 nan 8.300 nan 0.000 0.443 137 M N 4.502 124.306 119.600 0.341 0.000 2.690 137 M HA 0.422 4.902 4.480 -0.001 0.000 0.302 137 M C -1.404 175.073 176.300 0.295 0.000 1.234 137 M CA -0.724 54.730 55.300 0.255 0.000 0.853 137 M CB 1.970 34.648 32.600 0.131 0.000 1.748 137 M HN 0.675 nan 8.290 nan 0.000 0.469 138 C N 1.792 121.214 119.300 0.203 0.000 2.397 138 C HA 0.904 5.364 4.460 -0.001 0.000 0.325 138 C C -0.514 174.542 174.990 0.109 0.000 1.201 138 C CA -0.216 58.908 59.018 0.177 0.000 1.377 138 C CB 0.281 28.116 27.740 0.158 0.000 2.038 138 C HN 0.936 nan 8.230 nan 0.000 0.457 139 A N 5.596 128.473 122.820 0.096 0.000 2.340 139 A HA 0.864 5.184 4.320 -0.001 0.000 0.331 139 A C -0.925 176.689 177.584 0.050 0.000 1.140 139 A CA -0.383 51.691 52.037 0.063 0.000 0.801 139 A CB 1.031 20.065 19.000 0.056 0.000 1.234 139 A HN 0.914 nan 8.150 nan 0.000 0.469 140 Q N 0.283 120.096 119.800 0.022 0.000 2.397 140 Q HA 0.756 5.095 4.340 -0.001 0.000 0.275 140 Q C -1.419 174.561 176.000 -0.032 0.000 1.090 140 Q CA -0.733 55.063 55.803 -0.012 0.000 0.809 140 Q CB 2.887 31.601 28.738 -0.040 0.000 1.362 140 Q HN 0.821 nan 8.270 nan 0.000 0.431 141 L N -1.830 119.356 121.223 -0.061 0.000 2.666 141 L HA 0.556 4.896 4.340 -0.001 0.000 0.259 141 L C -2.937 173.901 176.870 -0.054 0.000 0.919 141 L CA -2.272 52.537 54.840 -0.052 0.000 0.927 141 L CB 1.875 43.934 42.059 -0.001 0.000 1.423 141 L HN 0.342 nan 8.230 nan 0.000 0.426 142 P HA 0.110 nan 4.420 nan 0.000 0.260 142 P C -1.024 176.346 177.300 0.116 0.000 1.207 142 P CA 0.548 63.678 63.100 0.049 0.000 0.780 142 P CB 0.391 32.106 31.700 0.025 0.000 0.789 143 N N 3.088 121.912 118.700 0.207 0.000 3.270 143 N HA -0.010 4.729 4.740 -0.001 0.000 0.227 143 N C 0.748 176.306 175.510 0.081 0.000 1.071 143 N CA -0.280 52.837 53.050 0.113 0.000 1.073 143 N CB 0.901 39.439 38.487 0.086 0.000 1.633 143 N HN 0.143 nan 8.380 nan 0.000 0.664 144 Q N 0.997 120.809 119.800 0.020 0.000 2.096 144 Q HA -0.150 4.190 4.340 -0.001 0.000 0.208 144 Q C 1.561 177.529 176.000 -0.053 0.000 0.993 144 Q CA 2.398 58.178 55.803 -0.038 0.000 0.862 144 Q CB 0.071 28.789 28.738 -0.034 0.000 0.915 144 Q HN 0.573 nan 8.270 nan 0.000 0.416 145 V N 0.932 120.843 119.914 -0.005 0.000 2.282 145 V HA -0.268 3.852 4.120 -0.001 0.000 0.249 145 V C 2.124 178.213 176.094 -0.008 0.000 1.057 145 V CA 1.406 63.707 62.300 0.002 0.000 1.032 145 V CB -0.608 31.272 31.823 0.095 0.000 0.645 145 V HN 0.362 nan 8.190 nan 0.000 0.447 146 L N -0.131 121.113 121.223 0.035 0.000 2.362 146 L HA -0.085 4.255 4.340 -0.001 0.000 0.219 146 L C 2.429 179.271 176.870 -0.047 0.000 1.134 146 L CA 1.509 56.392 54.840 0.071 0.000 0.807 146 L CB -1.460 40.723 42.059 0.206 0.000 0.927 146 L HN 0.518 nan 8.230 nan 0.000 0.447 147 E N -0.749 119.330 120.200 -0.202 0.000 2.047 147 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 147 E C 2.227 178.725 176.600 -0.170 0.000 0.987 147 E CA 1.453 57.656 56.400 -0.328 0.000 0.799 147 E CB 0.036 29.553 29.700 -0.306 0.000 0.752 147 E HN 0.360 nan 8.360 nan 0.000 0.449 148 S N 0.685 116.305 115.700 -0.134 0.000 2.371 148 S HA -0.003 4.467 4.470 -0.001 0.000 0.224 148 S C 1.262 175.809 174.600 -0.088 0.000 1.029 148 S CA 1.004 59.130 58.200 -0.122 0.000 0.978 148 S CB -0.157 62.944 63.200 -0.166 0.000 0.833 148 S HN 0.282 nan 8.310 nan 0.000 0.466 149 I N -1.767 118.767 120.570 -0.060 0.000 3.354 149 I HA 0.701 4.870 4.170 -0.001 0.000 0.316 149 I C -1.313 174.816 176.117 0.021 0.000 1.182 149 I CA -1.224 60.063 61.300 -0.023 0.000 0.942 149 I CB 2.259 40.245 38.000 -0.024 0.000 1.299 149 I HN 0.001 nan 8.210 nan 0.000 0.473 150 S N 1.351 117.077 115.700 0.043 0.000 2.548 150 S HA 0.779 5.249 4.470 -0.001 0.000 0.286 150 S C -0.867 173.780 174.600 0.078 0.000 1.098 150 S CA -0.678 57.566 58.200 0.073 0.000 0.930 150 S CB 1.797 65.053 63.200 0.093 0.000 1.070 150 S HN 0.574 nan 8.310 nan 0.000 0.480 151 I N 2.554 123.174 120.570 0.083 0.000 2.382 151 I HA 0.401 4.570 4.170 -0.001 0.000 0.286 151 I C -0.713 175.444 176.117 0.066 0.000 1.002 151 I CA -0.930 60.416 61.300 0.076 0.000 1.135 151 I CB 1.511 39.560 38.000 0.082 0.000 1.288 151 I HN 0.747 nan 8.210 nan 0.000 0.448 152 I N 4.694 125.283 120.570 0.032 0.000 2.315 152 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 152 I C -0.516 175.559 176.117 -0.069 0.000 1.006 152 I CA 0.394 61.688 61.300 -0.009 0.000 1.265 152 I CB 0.944 38.905 38.000 -0.066 0.000 1.387 152 I HN 0.418 nan 8.210 nan 0.000 0.475 153 D N 5.272 125.641 120.400 -0.052 0.000 2.168 153 D HA 0.450 5.089 4.640 -0.001 0.000 0.246 153 D C -0.435 175.761 176.300 -0.174 0.000 1.050 153 D CA -0.071 53.882 54.000 -0.079 0.000 0.857 153 D CB 1.624 42.403 40.800 -0.034 0.000 1.169 153 D HN 0.779 nan 8.370 nan 0.000 0.453 154 T N 0.492 114.907 114.554 -0.231 0.000 2.952 154 T HA 0.717 5.067 4.350 -0.001 0.000 0.286 154 T C -2.568 171.883 174.700 -0.415 0.000 1.024 154 T CA -1.993 59.839 62.100 -0.448 0.000 1.029 154 T CB 1.495 70.184 68.868 -0.298 0.000 1.094 154 T HN 0.113 nan 8.240 nan 0.000 0.515 155 P HA 0.331 nan 4.420 nan 0.000 0.272 155 P C 0.287 177.402 177.300 -0.307 0.000 1.230 155 P CA -0.171 62.716 63.100 -0.354 0.000 0.788 155 P CB 0.072 31.554 31.700 -0.364 0.000 0.949 156 G N 1.959 110.616 108.800 -0.239 0.000 2.380 156 G HA2 0.306 4.265 3.960 -0.001 0.000 0.262 156 G HA3 0.306 4.265 3.960 -0.001 0.000 0.262 156 G C -0.008 174.348 174.900 -0.906 0.000 1.243 156 G CA -0.583 44.239 45.100 -0.463 0.000 0.865 156 G HN 0.423 nan 8.290 nan 0.000 0.513 157 I N 3.106 123.215 120.570 -0.769 0.000 2.587 157 I HA -0.033 4.136 4.170 -0.001 0.000 0.284 157 I C 0.705 176.345 176.117 -0.796 0.000 1.134 157 I CA -0.705 60.151 61.300 -0.739 0.000 1.410 157 I CB 0.760 38.404 38.000 -0.594 0.000 1.392 157 I HN 0.352 nan 8.210 nan 0.000 0.545 158 L N 6.207 127.047 121.223 -0.638 0.000 2.525 158 L HA 0.144 4.484 4.340 -0.001 0.000 0.278 158 L C 0.451 177.242 176.870 -0.132 0.000 1.218 158 L CA 0.382 55.019 54.840 -0.338 0.000 0.878 158 L CB 0.070 42.065 42.059 -0.106 0.000 1.127 158 L HN 0.605 nan 8.230 nan 0.000 0.492 168 G N -0.380 108.252 108.800 -0.281 0.000 2.865 168 G HA2 0.176 4.136 3.960 -0.001 0.000 0.204 168 G HA3 0.176 4.136 3.960 -0.001 0.000 0.204 168 G C -0.091 174.762 174.900 -0.078 0.000 1.140 168 G CA 0.440 45.410 45.100 -0.217 0.000 0.842 168 G HN 0.216 nan 8.290 nan 0.000 0.631 169 Y N -1.292 119.061 120.300 0.088 0.000 2.833 169 Y HA 0.729 5.278 4.550 -0.001 0.000 0.319 169 Y C -0.833 175.164 175.900 0.161 0.000 1.254 169 Y CA -1.649 56.535 58.100 0.140 0.000 1.138 169 Y CB 0.743 39.325 38.460 0.203 0.000 1.352 169 Y HN -0.144 nan 8.280 nan 0.000 0.546 170 D N 0.645 121.290 120.400 0.408 0.000 2.767 170 D HA 0.079 4.719 4.640 -0.001 0.000 0.241 170 D C 0.599 177.136 176.300 0.394 0.000 1.187 170 D CA -0.293 53.885 54.000 0.297 0.000 0.999 170 D CB -0.546 40.366 40.800 0.187 0.000 1.042 170 D HN 0.533 nan 8.370 nan 0.000 0.510 171 F N 2.829 122.999 119.950 0.366 0.000 2.045 171 F HA -0.192 4.334 4.527 -0.001 0.000 0.297 171 F C -1.003 174.946 175.800 0.248 0.000 1.114 171 F CA 1.476 59.720 58.000 0.407 0.000 1.207 171 F CB -1.282 37.892 39.000 0.291 0.000 0.964 171 F HN 0.266 nan 8.300 nan 0.000 0.486 172 P HA -0.262 nan 4.420 nan 0.000 0.215 172 P C 1.671 178.998 177.300 0.045 0.000 1.163 172 P CA 2.857 65.979 63.100 0.037 0.000 0.894 172 P CB -0.485 31.282 31.700 0.113 0.000 0.791 173 A N -0.517 122.363 122.820 0.101 0.000 1.892 173 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 173 A C 2.432 180.077 177.584 0.101 0.000 1.188 173 A CA 2.532 54.629 52.037 0.100 0.000 0.631 173 A CB -1.910 17.146 19.000 0.094 0.000 0.822 173 A HN 0.215 nan 8.150 nan 0.000 0.447 174 V N -0.317 119.644 119.914 0.078 0.000 2.343 174 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 174 V C 2.219 178.436 176.094 0.204 0.000 1.051 174 V CA 2.164 64.508 62.300 0.075 0.000 1.036 174 V CB -0.458 31.355 31.823 -0.015 0.000 0.654 174 V HN 0.544 nan 8.190 nan 0.000 0.451 175 L N 0.069 121.315 121.223 0.038 0.000 2.127 175 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 175 L C 2.875 179.822 176.870 0.128 0.000 1.089 175 L CA 2.245 57.104 54.840 0.032 0.000 0.757 175 L CB -0.459 41.465 42.059 -0.226 0.000 0.899 175 L HN 0.421 nan 8.230 nan 0.000 0.434 176 R N -0.901 119.675 120.500 0.127 0.000 2.093 176 R HA -0.219 4.121 4.340 -0.001 0.000 0.224 176 R C 2.215 178.611 176.300 0.159 0.000 1.101 176 R CA 1.347 57.535 56.100 0.147 0.000 0.979 176 R CB -0.421 29.963 30.300 0.140 0.000 0.877 176 R HN 0.352 nan 8.270 nan 0.000 0.441 177 W N 0.597 121.881 121.300 -0.026 0.000 2.354 177 W HA -0.162 4.498 4.660 -0.001 0.000 0.315 177 W C 1.483 177.916 176.519 -0.143 0.000 1.206 177 W CA 1.539 58.816 57.345 -0.115 0.000 1.290 177 W CB -0.482 28.849 29.460 -0.215 0.000 1.152 177 W HN 0.008 nan 8.180 nan 0.000 0.489 178 F N 0.771 120.828 119.950 0.179 0.000 2.095 178 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 178 F C 2.602 178.301 175.800 -0.169 0.000 1.104 178 F CA 2.331 60.327 58.000 -0.006 0.000 1.232 178 F CB -1.498 37.566 39.000 0.106 0.000 0.987 178 F HN -0.012 nan 8.300 nan 0.000 0.475 179 A N -0.247 122.612 122.820 0.066 0.000 1.917 179 A HA -0.260 4.059 4.320 -0.001 0.000 0.219 179 A C 2.133 179.418 177.584 -0.498 0.000 1.182 179 A CA 2.090 54.052 52.037 -0.126 0.000 0.633 179 A CB -0.869 18.144 19.000 0.021 0.000 0.819 179 A HN 0.487 nan 8.150 nan 0.000 0.448 180 E N -0.963 119.001 120.200 -0.394 0.000 2.051 180 E HA -0.204 4.146 4.350 -0.001 0.000 0.192 180 E C 2.377 178.701 176.600 -0.459 0.000 0.991 180 E CA 1.450 57.583 56.400 -0.445 0.000 0.799 180 E CB -0.122 29.403 29.700 -0.292 0.000 0.748 180 E HN 0.565 nan 8.360 nan 0.000 0.449 181 R N 0.168 120.378 120.500 -0.483 0.000 2.100 181 R HA 0.076 4.416 4.340 -0.001 0.000 0.220 181 R C 0.673 176.820 176.300 -0.253 0.000 1.091 181 R CA 0.056 55.889 56.100 -0.443 0.000 0.986 181 R CB 0.264 30.171 30.300 -0.654 0.000 0.888 181 R HN -0.054 nan 8.270 nan 0.000 0.444 182 V N 1.381 121.206 119.914 -0.148 0.000 3.003 182 V HA -0.062 4.058 4.120 -0.001 0.000 0.305 182 V C 0.504 176.555 176.094 -0.072 0.000 1.078 182 V CA 0.484 62.757 62.300 -0.045 0.000 1.083 182 V CB 1.526 33.376 31.823 0.045 0.000 1.039 182 V HN 0.185 nan 8.190 nan 0.000 0.481 183 D N 1.453 121.831 120.400 -0.036 0.000 2.149 183 D HA 0.185 4.825 4.640 -0.001 0.000 0.206 183 D C 0.122 176.423 176.300 0.001 0.000 0.967 183 D CA 1.060 55.044 54.000 -0.027 0.000 0.848 183 D CB 0.216 41.001 40.800 -0.025 0.000 0.998 183 D HN 0.268 nan 8.370 nan 0.000 0.474 184 L N 0.628 121.862 121.223 0.018 0.000 2.388 184 L HA 0.495 4.835 4.340 -0.001 0.000 0.264 184 L C -1.136 175.756 176.870 0.036 0.000 0.998 184 L CA -0.719 54.147 54.840 0.043 0.000 0.817 184 L CB 2.766 44.866 42.059 0.068 0.000 1.338 184 L HN -0.153 nan 8.230 nan 0.000 0.414 185 I N 4.097 124.693 120.570 0.044 0.000 2.411 185 I HA 0.332 4.502 4.170 -0.001 0.000 0.284 185 I C -0.632 175.502 176.117 0.029 0.000 1.012 185 I CA -0.621 60.695 61.300 0.027 0.000 1.119 185 I CB 1.872 39.893 38.000 0.035 0.000 1.261 185 I HN 0.269 nan 8.210 nan 0.000 0.448 186 I N 7.033 127.594 120.570 -0.014 0.000 2.304 186 I HA 0.302 4.471 4.170 -0.001 0.000 0.291 186 I C -0.237 175.815 176.117 -0.107 0.000 1.018 186 I CA -0.600 60.651 61.300 -0.082 0.000 1.260 186 I CB 1.004 38.883 38.000 -0.202 0.000 1.390 186 I HN 0.335 nan 8.210 nan 0.000 0.475 187 L N 7.319 128.513 121.223 -0.049 0.000 2.282 187 L HA 0.460 4.800 4.340 -0.001 0.000 0.288 187 L C -0.042 176.752 176.870 -0.127 0.000 1.033 187 L CA -0.076 54.748 54.840 -0.026 0.000 0.807 187 L CB 1.264 43.404 42.059 0.134 0.000 1.209 187 L HN 0.308 nan 8.230 nan 0.000 0.423 188 L N 4.037 125.115 121.223 -0.243 0.000 2.307 188 L HA 0.530 4.870 4.340 -0.001 0.000 0.284 188 L C -0.990 175.629 176.870 -0.419 0.000 1.023 188 L CA -0.395 54.285 54.840 -0.265 0.000 0.810 188 L CB 1.304 43.200 42.059 -0.272 0.000 1.231 188 L HN 0.395 nan 8.230 nan 0.000 0.423 189 F N 1.141 121.040 119.950 -0.084 0.000 2.540 189 F HA 0.295 4.821 4.527 -0.001 0.000 0.317 189 F C 0.115 175.879 175.800 -0.060 0.000 1.104 189 F CA -0.967 56.986 58.000 -0.079 0.000 0.913 189 F CB 1.953 40.893 39.000 -0.101 0.000 1.170 189 F HN 0.422 nan 8.300 nan 0.000 0.450 190 D N 2.229 122.704 120.400 0.125 0.000 2.303 190 D HA 0.311 4.950 4.640 -0.001 0.000 0.236 190 D C 0.450 176.807 176.300 0.094 0.000 1.068 190 D CA -0.520 53.523 54.000 0.072 0.000 0.830 190 D CB 1.957 42.775 40.800 0.031 0.000 1.109 190 D HN 0.632 nan 8.370 nan 0.000 0.496 191 A N 2.972 125.836 122.820 0.073 0.000 2.259 191 A HA -0.209 4.110 4.320 -0.001 0.000 0.212 191 A C 1.643 179.285 177.584 0.097 0.000 1.178 191 A CA 1.345 53.425 52.037 0.072 0.000 0.734 191 A CB -0.846 18.186 19.000 0.053 0.000 0.774 191 A HN 0.806 nan 8.150 nan 0.000 0.481 192 H N -0.752 118.315 119.070 -0.005 0.000 2.451 192 H HA 0.282 4.837 4.556 -0.001 0.000 0.294 192 H C 0.289 175.621 175.328 0.005 0.000 1.028 192 H CA 1.165 57.209 56.048 -0.006 0.000 1.349 192 H CB 0.198 29.944 29.762 -0.027 0.000 1.444 192 H HN 0.225 nan 8.280 nan 0.000 0.538 193 K N 1.328 121.704 120.400 -0.040 0.000 2.827 193 K HA 0.159 4.478 4.320 -0.001 0.000 0.186 193 K C -1.248 175.357 176.600 0.010 0.000 1.093 193 K CA -0.343 55.898 56.287 -0.076 0.000 0.993 193 K CB 1.047 33.518 32.500 -0.048 0.000 1.199 193 K HN 0.179 nan 8.250 nan 0.000 0.598 194 L N 3.176 124.404 121.223 0.008 0.000 2.500 194 L HA 0.100 4.439 4.340 -0.001 0.000 0.272 194 L C -0.346 176.548 176.870 0.039 0.000 1.149 194 L CA 0.822 55.685 54.840 0.040 0.000 0.897 194 L CB 0.225 42.289 42.059 0.009 0.000 1.178 194 L HN 0.588 nan 8.230 nan 0.000 0.473 195 E N 5.625 125.874 120.200 0.081 0.000 2.304 195 E HA 0.407 4.757 4.350 -0.001 0.000 0.277 195 E C -1.544 175.115 176.600 0.098 0.000 0.898 195 E CA -0.519 55.924 56.400 0.070 0.000 0.764 195 E CB 1.453 31.191 29.700 0.062 0.000 1.216 195 E HN 0.482 nan 8.360 nan 0.000 0.419 196 I N 4.413 125.029 120.570 0.076 0.000 2.460 196 I HA 0.247 4.416 4.170 -0.001 0.000 0.277 196 I C 0.074 176.254 176.117 0.105 0.000 1.057 196 I CA -0.854 60.491 61.300 0.075 0.000 1.179 196 I CB 1.035 39.062 38.000 0.045 0.000 1.329 196 I HN 0.628 nan 8.210 nan 0.000 0.478 197 S N 1.864 117.655 115.700 0.151 0.000 2.589 197 S HA 0.009 4.478 4.470 -0.001 0.000 0.265 197 S C 0.942 175.638 174.600 0.161 0.000 1.342 197 S CA -0.363 57.923 58.200 0.143 0.000 1.005 197 S CB 1.689 64.970 63.200 0.136 0.000 0.909 197 S HN 0.645 nan 8.310 nan 0.000 0.555 198 D N 0.527 120.995 120.400 0.115 0.000 2.092 198 D HA -0.229 4.410 4.640 -0.001 0.000 0.193 198 D C 1.797 178.176 176.300 0.131 0.000 0.994 198 D CA 2.026 56.092 54.000 0.109 0.000 0.828 198 D CB -0.462 40.383 40.800 0.076 0.000 0.963 198 D HN 0.844 nan 8.370 nan 0.000 0.450 199 E N -1.233 119.031 120.200 0.107 0.000 2.114 199 E HA -0.238 4.111 4.350 -0.001 0.000 0.199 199 E C 2.200 178.890 176.600 0.151 0.000 1.008 199 E CA 0.989 57.445 56.400 0.094 0.000 0.810 199 E CB -0.472 29.233 29.700 0.009 0.000 0.739 199 E HN 0.437 nan 8.360 nan 0.000 0.456 200 F N 1.003 120.988 119.950 0.059 0.000 2.051 200 F HA -0.257 4.269 4.527 -0.001 0.000 0.296 200 F C 2.866 178.724 175.800 0.097 0.000 1.122 200 F CA 1.740 59.784 58.000 0.074 0.000 1.201 200 F CB -0.276 38.752 39.000 0.048 0.000 0.978 200 F HN 0.160 nan 8.300 nan 0.000 0.472 201 S N -0.609 115.312 115.700 0.369 0.000 2.419 201 S HA -0.242 4.227 4.470 -0.001 0.000 0.235 201 S C 1.775 176.490 174.600 0.190 0.000 1.019 201 S CA 1.481 59.828 58.200 0.245 0.000 0.982 201 S CB -0.675 62.622 63.200 0.162 0.000 0.789 201 S HN 0.552 nan 8.310 nan 0.000 0.490 202 E N 1.336 121.639 120.200 0.172 0.000 2.072 202 E HA -0.043 4.307 4.350 -0.001 0.000 0.191 202 E C 2.467 179.148 176.600 0.135 0.000 0.985 202 E CA 0.937 57.420 56.400 0.138 0.000 0.801 202 E CB -0.399 29.376 29.700 0.126 0.000 0.750 202 E HN 0.708 nan 8.360 nan 0.000 0.452 203 A N 1.168 124.072 122.820 0.141 0.000 1.865 203 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 203 A C 2.117 179.770 177.584 0.115 0.000 1.191 203 A CA 1.432 53.517 52.037 0.079 0.000 0.623 203 A CB -0.662 18.322 19.000 -0.028 0.000 0.826 203 A HN 0.151 nan 8.150 nan 0.000 0.444 204 I N 0.278 120.971 120.570 0.204 0.000 2.264 204 I HA -0.184 3.985 4.170 -0.001 0.000 0.248 204 I C 2.623 178.822 176.117 0.137 0.000 1.111 204 I CA 1.328 62.746 61.300 0.196 0.000 1.382 204 I CB -0.574 37.573 38.000 0.244 0.000 1.060 204 I HN 0.347 nan 8.210 nan 0.000 0.418 205 G N 0.120 108.997 108.800 0.127 0.000 2.450 205 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.220 205 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.220 205 G C 1.761 176.717 174.900 0.093 0.000 1.130 205 G CA 0.822 45.982 45.100 0.100 0.000 0.760 205 G HN 0.518 nan 8.290 nan 0.000 0.557 206 A N -0.241 122.637 122.820 0.096 0.000 2.123 206 A HA 0.340 4.660 4.320 -0.001 0.000 0.214 206 A C 1.888 179.535 177.584 0.106 0.000 1.152 206 A CA 0.529 52.621 52.037 0.092 0.000 0.728 206 A CB -0.067 18.978 19.000 0.075 0.000 0.814 206 A HN 0.261 nan 8.150 nan 0.000 0.464 207 L N -0.102 121.187 121.223 0.110 0.000 2.627 207 L HA 0.163 4.503 4.340 -0.001 0.000 0.233 207 L C 1.180 178.127 176.870 0.129 0.000 1.144 207 L CA 0.275 55.199 54.840 0.139 0.000 0.892 207 L CB -1.341 40.796 42.059 0.130 0.000 1.039 207 L HN 0.411 nan 8.230 nan 0.000 0.442 208 R N 0.091 120.639 120.500 0.080 0.000 2.537 208 R HA 0.235 4.574 4.340 -0.001 0.000 0.281 208 R C 1.312 177.564 176.300 -0.080 0.000 0.988 208 R CA 1.217 57.330 56.100 0.022 0.000 1.077 208 R CB 0.003 30.317 30.300 0.024 0.000 0.932 208 R HN 0.370 nan 8.270 nan 0.000 0.409 209 G N 2.946 111.674 108.800 -0.120 0.000 2.176 209 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.253 209 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.253 209 G C 0.227 174.892 174.900 -0.392 0.000 0.979 209 G CA 0.518 45.455 45.100 -0.273 0.000 0.641 209 G HN 0.839 nan 8.290 nan 0.000 0.530 210 H N 0.095 119.178 119.070 0.022 0.000 2.767 210 H HA 0.218 4.773 4.556 -0.001 0.000 0.260 210 H C 1.917 177.265 175.328 0.033 0.000 1.172 210 H CA 0.205 56.265 56.048 0.021 0.000 1.048 210 H CB 0.444 30.216 29.762 0.018 0.000 1.697 210 H HN 0.459 nan 8.280 nan 0.000 0.606 211 E N 0.919 121.184 120.200 0.109 0.000 2.219 211 E HA -0.250 4.100 4.350 -0.001 0.000 0.198 211 E C 0.900 177.555 176.600 0.091 0.000 0.998 211 E CA 1.685 58.140 56.400 0.092 0.000 0.818 211 E CB -0.249 29.487 29.700 0.060 0.000 0.741 211 E HN 0.777 nan 8.360 nan 0.000 0.477 212 D N 1.411 121.864 120.400 0.089 0.000 2.309 212 D HA -0.158 4.481 4.640 -0.001 0.000 0.212 212 D C 1.427 177.784 176.300 0.096 0.000 0.968 212 D CA 0.925 54.975 54.000 0.084 0.000 0.882 212 D CB -0.131 40.715 40.800 0.076 0.000 0.918 212 D HN 0.132 nan 8.370 nan 0.000 0.503 213 K N -0.150 120.312 120.400 0.104 0.000 2.417 213 K HA 0.228 4.547 4.320 -0.001 0.000 0.196 213 K C 0.016 176.671 176.600 0.093 0.000 1.023 213 K CA -0.101 56.239 56.287 0.088 0.000 1.122 213 K CB 0.571 33.108 32.500 0.061 0.000 0.850 213 K HN 0.312 nan 8.250 nan 0.000 0.521 214 I N 2.434 123.066 120.570 0.104 0.000 2.336 214 I HA 0.180 4.349 4.170 -0.001 0.000 0.292 214 I C -0.161 176.033 176.117 0.128 0.000 0.991 214 I CA -0.799 60.566 61.300 0.108 0.000 1.227 214 I CB 0.949 39.014 38.000 0.108 0.000 1.366 214 I HN -0.142 nan 8.210 nan 0.000 0.466 215 R N 6.048 126.636 120.500 0.146 0.000 2.288 215 R HA 0.410 4.749 4.340 -0.001 0.000 0.326 215 R C -0.971 175.424 176.300 0.158 0.000 0.959 215 R CA -0.858 55.377 56.100 0.225 0.000 0.834 215 R CB 1.472 31.975 30.300 0.338 0.000 1.157 215 R HN 0.303 nan 8.270 nan 0.000 0.470 216 V N 4.182 124.171 119.914 0.124 0.000 2.389 216 V HA 0.173 4.292 4.120 -0.001 0.000 0.264 216 V C 0.380 176.544 176.094 0.116 0.000 1.049 216 V CA -0.656 61.723 62.300 0.132 0.000 0.932 216 V CB 1.340 33.240 31.823 0.128 0.000 1.011 216 V HN 0.474 nan 8.190 nan 0.000 0.475 217 V N 7.047 127.005 119.914 0.074 0.000 2.417 217 V HA 0.648 4.768 4.120 -0.001 0.000 0.291 217 V C -0.609 175.523 176.094 0.062 0.000 1.024 217 V CA -0.807 61.519 62.300 0.044 0.000 0.861 217 V CB 1.583 33.293 31.823 -0.189 0.000 0.985 217 V HN 0.723 nan 8.190 nan 0.000 0.436 218 L N 6.302 127.578 121.223 0.088 0.000 2.282 218 L HA 0.549 4.888 4.340 -0.001 0.000 0.287 218 L C 0.097 177.005 176.870 0.062 0.000 1.075 218 L CA 0.552 55.439 54.840 0.079 0.000 0.839 218 L CB 0.177 42.239 42.059 0.006 0.000 1.219 218 L HN 0.906 nan 8.230 nan 0.000 0.434 219 N N 3.489 122.210 118.700 0.036 0.000 2.379 219 N HA 0.212 4.952 4.740 -0.001 0.000 0.260 219 N C -0.254 175.201 175.510 -0.092 0.000 1.254 219 N CA -0.082 52.971 53.050 0.005 0.000 0.958 219 N CB 0.705 39.161 38.487 -0.051 0.000 1.208 219 N HN 0.523 nan 8.380 nan 0.000 0.532 220 K N -1.157 119.121 120.400 -0.203 0.000 3.100 220 K HA -0.249 4.071 4.320 -0.001 0.000 0.261 220 K C 0.327 176.812 176.600 -0.191 0.000 0.920 220 K CA 0.884 57.011 56.287 -0.267 0.000 0.683 220 K CB -2.413 29.915 32.500 -0.287 0.000 1.349 220 K HN 0.458 nan 8.250 nan 0.000 0.473 221 A N 1.446 124.104 122.820 -0.270 0.000 2.216 221 A HA -0.158 4.162 4.320 -0.001 0.000 0.214 221 A C 1.857 179.380 177.584 -0.102 0.000 1.160 221 A CA 1.404 53.338 52.037 -0.171 0.000 0.725 221 A CB -0.184 18.710 19.000 -0.178 0.000 0.784 221 A HN 0.709 nan 8.150 nan 0.000 0.472 222 D N -0.462 119.791 120.400 -0.245 0.000 2.340 222 D HA -0.048 4.592 4.640 -0.001 0.000 0.220 222 D C 1.189 177.530 176.300 0.069 0.000 1.039 222 D CA 0.588 54.592 54.000 0.006 0.000 0.866 222 D CB -0.291 40.487 40.800 -0.038 0.000 0.913 222 D HN 0.652 nan 8.370 nan 0.000 0.523 223 M N -0.428 119.183 119.600 0.019 0.000 2.756 223 M HA 0.455 4.935 4.480 -0.001 0.000 0.320 223 M C -1.046 175.303 176.300 0.081 0.000 1.245 223 M CA -0.522 54.799 55.300 0.034 0.000 0.972 223 M CB 1.127 33.696 32.600 -0.051 0.000 1.327 223 M HN -0.222 nan 8.290 nan 0.000 0.505 224 V N 0.547 120.519 119.914 0.098 0.000 2.891 224 V HA 0.350 4.470 4.120 -0.001 0.000 0.304 224 V C -0.959 175.194 176.094 0.098 0.000 1.171 224 V CA -0.521 61.842 62.300 0.104 0.000 0.943 224 V CB 2.710 34.597 31.823 0.106 0.000 1.037 224 V HN 0.507 nan 8.190 nan 0.000 0.427 225 E N 1.742 121.989 120.200 0.079 0.000 2.436 225 E HA 0.106 4.455 4.350 -0.001 0.000 0.262 225 E C 1.350 177.992 176.600 0.070 0.000 1.063 225 E CA 1.237 57.677 56.400 0.067 0.000 0.944 225 E CB 1.376 31.105 29.700 0.049 0.000 0.950 225 E HN 0.876 nan 8.360 nan 0.000 0.444 226 T N 1.966 116.557 114.554 0.062 0.000 2.622 226 T HA -0.287 4.062 4.350 -0.001 0.000 0.266 226 T C 1.579 176.313 174.700 0.056 0.000 1.047 226 T CA 2.125 64.262 62.100 0.062 0.000 1.159 226 T CB -0.209 68.682 68.868 0.037 0.000 0.863 226 T HN 0.587 nan 8.240 nan 0.000 0.422 227 Q N 0.013 119.836 119.800 0.039 0.000 2.082 227 Q HA -0.300 4.040 4.340 -0.001 0.000 0.211 227 Q C 2.505 178.525 176.000 0.033 0.000 1.002 227 Q CA 2.597 58.418 55.803 0.030 0.000 0.868 227 Q CB -0.327 28.423 28.738 0.018 0.000 0.931 227 Q HN 0.631 nan 8.270 nan 0.000 0.414 228 Q N 0.629 120.451 119.800 0.035 0.000 2.077 228 Q HA -0.182 4.157 4.340 -0.001 0.000 0.206 228 Q C 1.809 177.841 176.000 0.053 0.000 0.989 228 Q CA 1.531 57.355 55.803 0.035 0.000 0.853 228 Q CB -0.579 28.181 28.738 0.038 0.000 0.907 228 Q HN 0.483 nan 8.270 nan 0.000 0.418 229 L N -0.805 120.464 121.223 0.077 0.000 1.990 229 L HA -0.270 4.070 4.340 -0.001 0.000 0.213 229 L C 2.173 179.118 176.870 0.125 0.000 1.072 229 L CA 1.824 56.727 54.840 0.105 0.000 0.755 229 L CB -0.367 41.770 42.059 0.130 0.000 0.889 229 L HN 0.419 nan 8.230 nan 0.000 0.432 230 M N -0.877 118.790 119.600 0.111 0.000 2.089 230 M HA -0.282 4.198 4.480 -0.001 0.000 0.257 230 M C 2.294 178.631 176.300 0.062 0.000 1.071 230 M CA 1.798 57.166 55.300 0.112 0.000 1.096 230 M CB -1.556 31.082 32.600 0.063 0.000 1.330 230 M HN 0.170 nan 8.290 nan 0.000 0.403 231 R N -0.111 120.404 120.500 0.025 0.000 2.094 231 R HA -0.110 4.229 4.340 -0.001 0.000 0.239 231 R C 2.330 178.623 176.300 -0.013 0.000 1.137 231 R CA 1.438 57.528 56.100 -0.018 0.000 0.943 231 R CB -1.200 29.086 30.300 -0.024 0.000 0.850 231 R HN 0.252 nan 8.270 nan 0.000 0.433 232 V N -0.123 119.808 119.914 0.028 0.000 2.237 232 V HA -0.310 3.809 4.120 -0.001 0.000 0.245 232 V C 1.946 178.086 176.094 0.076 0.000 1.046 232 V CA 2.085 64.405 62.300 0.033 0.000 1.007 232 V CB -0.727 31.124 31.823 0.047 0.000 0.638 232 V HN 0.420 nan 8.190 nan 0.000 0.445 233 Y N 1.290 121.570 120.300 -0.034 0.000 2.062 233 Y HA -0.348 4.201 4.550 -0.001 0.000 0.276 233 Y C 2.381 178.255 175.900 -0.045 0.000 1.189 233 Y CA 1.668 59.745 58.100 -0.039 0.000 1.130 233 Y CB -0.635 37.821 38.460 -0.006 0.000 0.959 233 Y HN 0.298 nan 8.280 nan 0.000 0.499 234 G N -0.183 108.543 108.800 -0.123 0.000 2.491 234 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.218 234 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.218 234 G C 1.728 176.566 174.900 -0.102 0.000 1.180 234 G CA 1.428 46.411 45.100 -0.196 0.000 0.774 234 G HN 0.634 nan 8.290 nan 0.000 0.562 235 A N 0.503 123.268 122.820 -0.093 0.000 1.873 235 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 235 A C 2.435 180.005 177.584 -0.024 0.000 1.193 235 A CA 1.635 53.629 52.037 -0.071 0.000 0.629 235 A CB -0.671 18.279 19.000 -0.082 0.000 0.826 235 A HN 0.383 nan 8.150 nan 0.000 0.447 236 L N -1.135 120.039 121.223 -0.081 0.000 1.978 236 L HA -0.262 4.077 4.340 -0.001 0.000 0.218 236 L C 2.744 179.536 176.870 -0.130 0.000 1.075 236 L CA 2.143 56.862 54.840 -0.201 0.000 0.767 236 L CB -0.350 41.569 42.059 -0.232 0.000 0.890 236 L HN 0.375 nan 8.230 nan 0.000 0.434 237 M N -1.999 117.565 119.600 -0.060 0.000 2.213 237 M HA -0.255 4.225 4.480 -0.001 0.000 0.263 237 M C 1.949 178.258 176.300 0.015 0.000 1.062 237 M CA 1.522 56.792 55.300 -0.049 0.000 1.105 237 M CB -1.446 31.084 32.600 -0.117 0.000 1.385 237 M HN 0.408 nan 8.290 nan 0.000 0.417 238 W N 0.923 122.136 121.300 -0.144 0.000 2.332 238 W HA -0.170 4.489 4.660 -0.001 0.000 0.321 238 W C 2.771 179.234 176.519 -0.093 0.000 1.219 238 W CA 2.787 60.067 57.345 -0.108 0.000 1.277 238 W CB -0.780 28.621 29.460 -0.098 0.000 1.161 238 W HN 0.290 nan 8.180 nan 0.000 0.476 239 A N -0.042 122.875 122.820 0.163 0.000 1.849 239 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 239 A C 2.100 179.666 177.584 -0.031 0.000 1.202 239 A CA 2.167 54.234 52.037 0.050 0.000 0.629 239 A CB -1.338 17.662 19.000 -0.001 0.000 0.834 239 A HN 0.301 nan 8.150 nan 0.000 0.447 240 L N -0.739 120.439 121.223 -0.075 0.000 2.013 240 L HA -0.234 4.105 4.340 -0.001 0.000 0.212 240 L C 2.878 179.714 176.870 -0.057 0.000 1.073 240 L CA 1.369 56.169 54.840 -0.066 0.000 0.753 240 L CB -1.164 40.837 42.059 -0.096 0.000 0.890 240 L HN 0.579 nan 8.230 nan 0.000 0.432 241 G N 0.601 109.350 108.800 -0.085 0.000 2.631 241 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.219 241 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.219 241 G C 1.533 176.357 174.900 -0.128 0.000 1.214 241 G CA 1.529 46.555 45.100 -0.122 0.000 0.785 241 G HN 0.337 nan 8.290 nan 0.000 0.596 242 K N 0.210 120.515 120.400 -0.157 0.000 2.152 242 K HA -0.010 4.309 4.320 -0.001 0.000 0.206 242 K C 2.376 178.941 176.600 -0.058 0.000 1.048 242 K CA 1.712 57.921 56.287 -0.131 0.000 0.933 242 K CB -0.459 31.957 32.500 -0.140 0.000 0.721 242 K HN 0.262 nan 8.250 nan 0.000 0.447 243 V N 0.645 120.542 119.914 -0.028 0.000 2.239 243 V HA -0.180 3.939 4.120 -0.001 0.000 0.242 243 V C 2.326 178.432 176.094 0.020 0.000 1.038 243 V CA 1.578 63.886 62.300 0.012 0.000 1.002 243 V CB -0.522 31.325 31.823 0.040 0.000 0.641 243 V HN 0.405 nan 8.190 nan 0.000 0.449 244 V N -0.017 119.909 119.914 0.019 0.000 2.667 244 V HA 0.178 4.298 4.120 -0.001 0.000 0.252 244 V C 1.828 177.928 176.094 0.009 0.000 1.065 244 V CA 1.965 64.283 62.300 0.029 0.000 1.083 244 V CB -0.568 31.277 31.823 0.037 0.000 0.692 244 V HN 0.978 nan 8.190 nan 0.000 0.468 245 G N 0.055 108.847 108.800 -0.013 0.000 2.184 245 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.264 245 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.264 245 G C 0.522 175.409 174.900 -0.022 0.000 0.975 245 G CA 0.893 45.979 45.100 -0.023 0.000 0.642 245 G HN 1.167 nan 8.290 nan 0.000 0.536 246 T N 0.945 115.490 114.554 -0.014 0.000 2.907 246 T HA 0.511 4.861 4.350 -0.001 0.000 0.298 246 T C -0.256 174.431 174.700 -0.022 0.000 1.017 246 T CA -0.542 61.550 62.100 -0.013 0.000 1.118 246 T CB 1.139 70.005 68.868 -0.003 0.000 0.948 246 T HN 0.007 nan 8.240 nan 0.000 0.531 247 P HA 0.096 nan 4.420 nan 0.000 0.230 247 P C -0.467 176.821 177.300 -0.019 0.000 1.158 247 P CA 0.515 63.601 63.100 -0.025 0.000 0.769 247 P CB 0.138 31.826 31.700 -0.020 0.000 0.807 248 E N -0.147 120.046 120.200 -0.011 0.000 2.167 248 E HA 0.280 4.630 4.350 -0.001 0.000 0.284 248 E C -0.437 176.159 176.600 -0.005 0.000 1.016 248 E CA -0.760 55.637 56.400 -0.005 0.000 0.817 248 E CB 1.254 30.956 29.700 0.003 0.000 1.080 248 E HN -0.169 nan 8.360 nan 0.000 0.397 249 V N 4.555 124.464 119.914 -0.007 0.000 2.583 249 V HA 0.169 4.289 4.120 -0.001 0.000 0.287 249 V C -0.434 175.659 176.094 -0.001 0.000 1.051 249 V CA -0.670 61.624 62.300 -0.009 0.000 1.010 249 V CB 0.445 32.260 31.823 -0.013 0.000 0.988 249 V HN 0.509 nan 8.190 nan 0.000 0.478 250 L N 5.989 127.213 121.223 0.001 0.000 2.426 250 L HA 0.443 4.782 4.340 -0.001 0.000 0.271 250 L C 0.527 177.381 176.870 -0.026 0.000 1.169 250 L CA 0.337 55.178 54.840 0.001 0.000 0.836 250 L CB 0.725 42.795 42.059 0.018 0.000 1.112 250 L HN 0.872 nan 8.230 nan 0.000 0.465 251 R N 2.466 122.922 120.500 -0.073 0.000 2.298 251 R HA 0.499 4.838 4.340 -0.001 0.000 0.310 251 R C -1.137 174.989 176.300 -0.290 0.000 1.068 251 R CA -0.434 55.547 56.100 -0.197 0.000 0.957 251 R CB 0.579 30.702 30.300 -0.295 0.000 1.003 251 R HN 0.444 nan 8.270 nan 0.000 0.454 252 V N 2.759 122.519 119.914 -0.258 0.000 2.472 252 V HA 0.521 4.640 4.120 -0.001 0.000 0.290 252 V C -0.980 174.890 176.094 -0.373 0.000 1.037 252 V CA -0.859 61.293 62.300 -0.247 0.000 0.908 252 V CB 1.158 32.910 31.823 -0.118 0.000 0.985 252 V HN 0.698 nan 8.190 nan 0.000 0.454 253 Y N 4.426 124.737 120.300 0.018 0.000 2.353 253 Y HA 0.620 5.169 4.550 -0.001 0.000 0.340 253 Y C 0.440 176.395 175.900 0.091 0.000 0.972 253 Y CA -0.737 57.404 58.100 0.069 0.000 1.157 253 Y CB 1.389 39.929 38.460 0.134 0.000 1.157 253 Y HN 0.548 nan 8.280 nan 0.000 0.495 254 I N 4.071 124.742 120.570 0.169 0.000 2.312 254 I HA 0.648 4.818 4.170 -0.001 0.000 0.291 254 I C 0.606 176.811 176.117 0.147 0.000 1.031 254 I CA 0.010 61.378 61.300 0.113 0.000 1.293 254 I CB 0.634 38.658 38.000 0.041 0.000 1.403 254 I HN 0.814 nan 8.210 nan 0.000 0.484 255 G N 3.873 112.643 108.800 -0.050 0.000 2.489 255 G HA2 0.482 4.442 3.960 -0.001 0.000 0.305 255 G HA3 0.482 4.442 3.960 -0.001 0.000 0.305 255 G C -1.479 173.066 174.900 -0.591 0.000 1.311 255 G CA -0.541 44.237 45.100 -0.538 0.000 0.813 255 G HN 0.521 nan 8.290 nan 0.000 0.480 256 S N -0.460 114.799 115.700 -0.735 0.000 2.664 256 S HA 0.481 4.951 4.470 -0.001 0.000 0.262 256 S C -0.986 173.349 174.600 -0.441 0.000 1.229 256 S CA -0.615 57.313 58.200 -0.452 0.000 1.151 256 S CB 0.440 63.410 63.200 -0.384 0.000 1.054 256 S HN 0.505 nan 8.310 nan 0.000 0.483 257 F N 4.956 124.688 119.950 -0.363 0.000 2.678 257 F HA 0.417 4.944 4.527 -0.001 0.000 0.358 257 F C 0.221 175.540 175.800 -0.802 0.000 1.256 257 F CA -0.155 57.457 58.000 -0.646 0.000 1.278 257 F CB -0.127 38.846 39.000 -0.044 0.000 1.681 257 F HN 0.724 nan 8.300 nan 0.000 0.661 258 W N -0.998 119.707 121.300 -0.992 0.000 3.161 258 W HA 0.331 4.991 4.660 -0.001 0.000 0.314 258 W C -0.728 175.715 176.519 -0.125 0.000 1.245 258 W CA -2.212 54.873 57.345 -0.433 0.000 1.191 258 W CB 0.288 29.667 29.460 -0.136 0.000 1.392 258 W HN -0.213 nan 8.180 nan 0.000 0.568 259 S N 1.163 116.947 115.700 0.141 0.000 2.803 259 S HA -0.018 4.451 4.470 -0.001 0.000 0.228 259 S C 0.319 174.749 174.600 -0.284 0.000 0.953 259 S CA 0.159 58.376 58.200 0.027 0.000 0.983 259 S CB -0.445 62.806 63.200 0.086 0.000 0.784 259 S HN 0.342 nan 8.310 nan 0.000 0.498 260 Q N 2.097 121.436 119.800 -0.768 0.000 2.306 260 Q HA 0.350 4.689 4.340 -0.001 0.000 0.241 260 Q C -2.378 173.366 176.000 -0.426 0.000 0.948 260 Q CA -1.728 53.544 55.803 -0.885 0.000 0.886 260 Q CB 0.133 27.686 28.738 -1.974 0.000 1.227 260 Q HN 0.077 nan 8.270 nan 0.000 0.457 261 P HA -0.013 nan 4.420 nan 0.000 0.270 261 P C -1.161 176.123 177.300 -0.027 0.000 1.227 261 P CA -0.359 62.678 63.100 -0.105 0.000 0.788 261 P CB 0.449 32.099 31.700 -0.084 0.000 0.926 262 L N 1.881 123.124 121.223 0.032 0.000 2.276 262 L HA 0.209 4.548 4.340 -0.001 0.000 0.286 262 L C 1.202 178.122 176.870 0.084 0.000 1.061 262 L CA 0.068 54.964 54.840 0.094 0.000 0.807 262 L CB 0.302 42.435 42.059 0.123 0.000 1.177 262 L HN 0.414 nan 8.230 nan 0.000 0.429 263 L N 3.831 125.116 121.223 0.103 0.000 1.950 263 L HA 0.013 4.352 4.340 -0.001 0.000 0.210 263 L C 0.541 177.458 176.870 0.079 0.000 1.079 263 L CA 1.034 55.923 54.840 0.082 0.000 0.754 263 L CB 0.176 42.285 42.059 0.082 0.000 0.889 263 L HN 0.416 nan 8.230 nan 0.000 0.433 264 V N 1.784 121.758 119.914 0.101 0.000 2.304 264 V HA 0.273 4.392 4.120 -0.001 0.000 0.269 264 V C -1.625 174.542 176.094 0.122 0.000 1.036 264 V CA -1.422 60.936 62.300 0.096 0.000 0.840 264 V CB 1.016 32.895 31.823 0.094 0.000 1.036 264 V HN 0.251 nan 8.190 nan 0.000 0.466 265 P HA 0.080 nan 4.420 nan 0.000 0.251 265 P C 0.478 177.790 177.300 0.020 0.000 1.223 265 P CA 0.360 63.506 63.100 0.076 0.000 0.796 265 P CB 0.024 31.753 31.700 0.047 0.000 1.068 266 D N -0.874 119.528 120.400 0.003 0.000 2.494 266 D HA -0.011 4.629 4.640 -0.001 0.000 0.249 266 D C 0.641 176.872 176.300 -0.116 0.000 1.223 266 D CA -0.003 53.973 54.000 -0.040 0.000 0.865 266 D CB -0.880 39.910 40.800 -0.018 0.000 0.974 266 D HN -0.036 nan 8.370 nan 0.000 0.491 267 N N -0.158 118.407 118.700 -0.225 0.000 2.193 267 N HA 0.036 4.775 4.740 -0.001 0.000 0.236 267 N C 1.078 176.092 175.510 -0.827 0.000 1.347 267 N CA -0.026 52.715 53.050 -0.516 0.000 0.812 267 N CB 0.497 38.597 38.487 -0.645 0.000 1.297 267 N HN 0.368 nan 8.380 nan 0.000 0.499 268 R N 0.234 120.504 120.500 -0.383 0.000 2.115 268 R HA 0.143 4.483 4.340 -0.001 0.000 0.230 268 R C 1.807 178.014 176.300 -0.156 0.000 1.111 268 R CA 0.716 56.702 56.100 -0.191 0.000 0.976 268 R CB -0.011 30.305 30.300 0.028 0.000 0.870 268 R HN -0.129 nan 8.270 nan 0.000 0.445 269 R N 1.110 121.515 120.500 -0.158 0.000 2.112 269 R HA -0.149 4.190 4.340 -0.001 0.000 0.242 269 R C 2.201 178.439 176.300 -0.103 0.000 1.137 269 R CA 1.712 57.754 56.100 -0.096 0.000 0.944 269 R CB -0.918 29.331 30.300 -0.084 0.000 0.857 269 R HN 0.386 nan 8.270 nan 0.000 0.435 270 L N 0.361 121.458 121.223 -0.210 0.000 2.042 270 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 270 L C 2.209 179.071 176.870 -0.013 0.000 1.076 270 L CA 1.894 56.642 54.840 -0.152 0.000 0.749 270 L CB -0.639 41.267 42.059 -0.255 0.000 0.893 270 L HN 0.057 nan 8.230 nan 0.000 0.432 271 F N 1.078 121.001 119.950 -0.045 0.000 2.075 271 F HA -0.211 4.315 4.527 -0.001 0.000 0.297 271 F C 2.696 178.428 175.800 -0.113 0.000 1.113 271 F CA 1.429 59.373 58.000 -0.094 0.000 1.218 271 F CB -1.220 37.717 39.000 -0.105 0.000 0.984 271 F HN 0.311 nan 8.300 nan 0.000 0.472 272 E N -0.112 120.160 120.200 0.119 0.000 2.085 272 E HA -0.196 4.153 4.350 -0.001 0.000 0.194 272 E C 2.157 178.778 176.600 0.035 0.000 0.994 272 E CA 1.117 57.551 56.400 0.056 0.000 0.801 272 E CB -0.694 29.043 29.700 0.061 0.000 0.743 272 E HN 0.207 nan 8.360 nan 0.000 0.453 273 L N 1.731 122.979 121.223 0.042 0.000 1.970 273 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 273 L C 2.449 179.358 176.870 0.064 0.000 1.071 273 L CA 1.844 56.715 54.840 0.050 0.000 0.751 273 L CB -1.108 40.977 42.059 0.044 0.000 0.889 273 L HN 0.184 nan 8.230 nan 0.000 0.432 274 E N -0.431 119.823 120.200 0.091 0.000 2.085 274 E HA -0.272 4.077 4.350 -0.001 0.000 0.194 274 E C 1.988 178.616 176.600 0.047 0.000 0.994 274 E CA 1.083 57.579 56.400 0.161 0.000 0.801 274 E CB -0.127 29.705 29.700 0.219 0.000 0.743 274 E HN 0.537 nan 8.360 nan 0.000 0.453 275 E N 0.881 121.020 120.200 -0.102 0.000 2.070 275 E HA -0.249 4.101 4.350 -0.001 0.000 0.197 275 E C 2.169 178.483 176.600 -0.476 0.000 1.004 275 E CA 1.334 57.491 56.400 -0.404 0.000 0.805 275 E CB 0.053 29.501 29.700 -0.420 0.000 0.744 275 E HN 0.284 nan 8.360 nan 0.000 0.451 276 Q N 0.093 119.815 119.800 -0.130 0.000 2.061 276 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 276 Q C 1.938 177.970 176.000 0.054 0.000 0.984 276 Q CA 1.724 57.552 55.803 0.042 0.000 0.846 276 Q CB -0.051 28.743 28.738 0.093 0.000 0.902 276 Q HN 0.303 nan 8.270 nan 0.000 0.421 277 D N 0.530 120.953 120.400 0.038 0.000 2.092 277 D HA -0.173 4.466 4.640 -0.001 0.000 0.193 277 D C 1.795 178.062 176.300 -0.054 0.000 0.994 277 D CA 0.833 54.883 54.000 0.082 0.000 0.828 277 D CB -0.337 40.596 40.800 0.221 0.000 0.963 277 D HN 0.096 nan 8.370 nan 0.000 0.450 278 L N 0.033 121.033 121.223 -0.372 0.000 2.042 278 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 278 L C 2.025 178.890 176.870 -0.009 0.000 1.076 278 L CA 1.570 56.066 54.840 -0.572 0.000 0.749 278 L CB -0.623 40.984 42.059 -0.754 0.000 0.893 278 L HN -0.112 nan 8.230 nan 0.000 0.432 279 F N 0.314 120.297 119.950 0.055 0.000 2.095 279 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 279 F C 2.746 178.690 175.800 0.239 0.000 1.104 279 F CA 1.446 59.562 58.000 0.193 0.000 1.232 279 F CB -1.168 37.902 39.000 0.116 0.000 0.987 279 F HN 0.096 nan 8.300 nan 0.000 0.475 280 R N 0.088 120.790 120.500 0.336 0.000 2.096 280 R HA -0.221 4.119 4.340 -0.001 0.000 0.240 280 R C 2.053 178.450 176.300 0.162 0.000 1.139 280 R CA 1.840 58.069 56.100 0.214 0.000 0.952 280 R CB -0.675 29.721 30.300 0.161 0.000 0.854 280 R HN 0.183 nan 8.270 nan 0.000 0.436 281 D N 0.409 120.895 120.400 0.144 0.000 2.104 281 D HA -0.150 4.490 4.640 -0.001 0.000 0.194 281 D C 1.852 178.213 176.300 0.102 0.000 0.994 281 D CA 1.254 55.324 54.000 0.117 0.000 0.830 281 D CB -0.058 40.806 40.800 0.106 0.000 0.959 281 D HN 0.195 nan 8.370 nan 0.000 0.452 282 I N 0.401 121.071 120.570 0.166 0.000 2.163 282 I HA -0.224 3.945 4.170 -0.001 0.000 0.240 282 I C 2.604 178.719 176.117 -0.005 0.000 1.081 282 I CA 0.809 62.200 61.300 0.152 0.000 1.353 282 I CB -0.393 37.819 38.000 0.354 0.000 1.054 282 I HN 0.049 nan 8.210 nan 0.000 0.407 283 Q N 1.191 120.969 119.800 -0.037 0.000 2.234 283 Q HA -0.175 4.164 4.340 -0.001 0.000 0.206 283 Q C 1.840 177.725 176.000 -0.192 0.000 0.980 283 Q CA 1.690 57.298 55.803 -0.325 0.000 0.869 283 Q CB -0.201 28.377 28.738 -0.266 0.000 0.912 283 Q HN 0.581 nan 8.270 nan 0.000 0.436 284 G N 0.023 108.767 108.800 -0.093 0.000 3.181 284 G HA2 0.089 4.048 3.960 -0.001 0.000 0.219 284 G HA3 0.089 4.048 3.960 -0.001 0.000 0.219 284 G C 1.224 175.962 174.900 -0.271 0.000 1.182 284 G CA -0.281 44.749 45.100 -0.117 0.000 0.791 284 G HN 0.218 nan 8.290 nan 0.000 0.537 285 L N 0.397 121.485 121.223 -0.225 0.000 2.023 285 L HA 0.021 4.361 4.340 -0.001 0.000 0.205 285 L C 0.002 176.723 176.870 -0.248 0.000 1.073 285 L CA 0.934 55.626 54.840 -0.246 0.000 0.745 285 L CB -1.029 40.950 42.059 -0.133 0.000 0.900 285 L HN 0.064 nan 8.230 nan 0.000 0.435 286 P HA -0.178 nan 4.420 nan 0.000 0.218 286 P C 1.432 178.667 177.300 -0.108 0.000 1.148 286 P CA 1.225 64.251 63.100 -0.124 0.000 0.822 286 P CB -0.103 31.529 31.700 -0.113 0.000 0.784 287 R N -0.199 120.220 120.500 -0.135 0.000 2.103 287 R HA -0.149 4.191 4.340 -0.001 0.000 0.242 287 R C 0.614 176.946 176.300 0.053 0.000 1.142 287 R CA 1.395 57.473 56.100 -0.037 0.000 0.960 287 R CB -0.286 30.020 30.300 0.009 0.000 0.858 287 R HN 0.390 nan 8.270 nan 0.000 0.439 288 H N -3.320 115.745 119.070 -0.008 0.000 2.607 288 H HA 0.398 4.954 4.556 -0.001 0.000 0.248 288 H C -0.327 174.998 175.328 -0.005 0.000 1.355 288 H CA 0.020 56.067 56.048 -0.003 0.000 1.524 288 H CB 1.102 30.866 29.762 0.004 0.000 1.563 288 H HN 0.137 nan 8.280 nan 0.000 0.509 289 A N 2.184 125.016 122.820 0.021 0.000 1.984 289 A HA 0.240 4.560 4.320 -0.001 0.000 0.214 289 A C 2.411 180.012 177.584 0.030 0.000 1.173 289 A CA 0.957 52.995 52.037 0.002 0.000 0.673 289 A CB -0.333 18.653 19.000 -0.023 0.000 0.830 289 A HN 0.651 nan 8.150 nan 0.000 0.453 290 A N 0.186 123.037 122.820 0.052 0.000 1.903 290 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 290 A C 2.192 179.808 177.584 0.053 0.000 1.191 290 A CA 1.703 53.773 52.037 0.054 0.000 0.638 290 A CB -0.703 18.331 19.000 0.057 0.000 0.823 290 A HN 0.526 nan 8.150 nan 0.000 0.451 291 L N -0.494 120.773 121.223 0.074 0.000 1.994 291 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 291 L C 2.950 179.849 176.870 0.049 0.000 1.071 291 L CA 2.343 57.219 54.840 0.061 0.000 0.745 291 L CB -0.377 41.727 42.059 0.074 0.000 0.892 291 L HN 0.661 nan 8.230 nan 0.000 0.431 292 R N 0.090 120.623 120.500 0.055 0.000 2.096 292 R HA -0.189 4.151 4.340 -0.001 0.000 0.235 292 R C 2.022 178.314 176.300 -0.015 0.000 1.127 292 R CA 1.551 57.666 56.100 0.025 0.000 0.968 292 R CB -0.472 29.838 30.300 0.017 0.000 0.861 292 R HN 0.222 nan 8.270 nan 0.000 0.440 293 K N 0.382 120.766 120.400 -0.027 0.000 1.978 293 K HA -0.148 4.172 4.320 -0.001 0.000 0.214 293 K C 2.001 178.584 176.600 -0.027 0.000 1.049 293 K CA 1.706 57.954 56.287 -0.065 0.000 0.939 293 K CB -0.563 31.910 32.500 -0.045 0.000 0.721 293 K HN 0.119 nan 8.250 nan 0.000 0.441 294 L N 1.911 123.144 121.223 0.016 0.000 2.010 294 L HA -0.339 4.000 4.340 -0.001 0.000 0.219 294 L C 1.610 178.488 176.870 0.013 0.000 1.077 294 L CA 2.050 56.907 54.840 0.029 0.000 0.773 294 L CB -0.893 41.185 42.059 0.032 0.000 0.892 294 L HN 0.249 nan 8.230 nan 0.000 0.436 295 N N -1.042 117.664 118.700 0.011 0.000 2.069 295 N HA -0.206 4.534 4.740 -0.001 0.000 0.191 295 N C 1.473 176.987 175.510 0.008 0.000 1.031 295 N CA 1.437 54.494 53.050 0.012 0.000 0.852 295 N CB -0.079 38.422 38.487 0.023 0.000 1.018 295 N HN 0.486 nan 8.380 nan 0.000 0.423 296 D N 0.491 120.888 120.400 -0.004 0.000 2.144 296 D HA -0.141 4.498 4.640 -0.001 0.000 0.199 296 D C 1.948 178.229 176.300 -0.033 0.000 0.984 296 D CA 0.473 54.467 54.000 -0.009 0.000 0.834 296 D CB -0.298 40.463 40.800 -0.065 0.000 0.955 296 D HN 0.215 nan 8.370 nan 0.000 0.465 297 L N 0.771 121.970 121.223 -0.041 0.000 1.989 297 L HA -0.196 4.143 4.340 -0.001 0.000 0.211 297 L C 2.371 179.236 176.870 -0.008 0.000 1.071 297 L CA 1.324 56.152 54.840 -0.020 0.000 0.749 297 L CB -0.441 41.637 42.059 0.032 0.000 0.890 297 L HN -0.133 nan 8.230 nan 0.000 0.431 298 V N -0.152 119.759 119.914 -0.005 0.000 2.252 298 V HA -0.397 3.722 4.120 -0.001 0.000 0.249 298 V C 2.566 178.640 176.094 -0.034 0.000 1.056 298 V CA 2.425 64.716 62.300 -0.015 0.000 1.022 298 V CB -0.806 31.011 31.823 -0.010 0.000 0.641 298 V HN 0.480 nan 8.190 nan 0.000 0.445 299 K N -0.225 120.159 120.400 -0.027 0.000 2.020 299 K HA -0.263 4.057 4.320 -0.001 0.000 0.212 299 K C 2.379 178.944 176.600 -0.058 0.000 1.050 299 K CA 2.078 58.340 56.287 -0.041 0.000 0.929 299 K CB -0.392 32.097 32.500 -0.017 0.000 0.714 299 K HN 0.368 nan 8.250 nan 0.000 0.443 300 R N 1.069 121.544 120.500 -0.043 0.000 2.097 300 R HA -0.240 4.099 4.340 -0.001 0.000 0.236 300 R C 2.298 178.511 176.300 -0.146 0.000 1.135 300 R CA 1.830 57.887 56.100 -0.071 0.000 0.934 300 R CB -0.504 29.758 30.300 -0.063 0.000 0.846 300 R HN 0.237 nan 8.270 nan 0.000 0.431 301 A N 1.231 123.985 122.820 -0.110 0.000 1.881 301 A HA -0.297 4.022 4.320 -0.001 0.000 0.219 301 A C 2.268 179.754 177.584 -0.162 0.000 1.215 301 A CA 2.266 54.226 52.037 -0.128 0.000 0.648 301 A CB -0.804 18.154 19.000 -0.071 0.000 0.832 301 A HN 0.518 nan 8.150 nan 0.000 0.455 302 R N -1.288 119.134 120.500 -0.130 0.000 2.112 302 R HA -0.183 4.156 4.340 -0.001 0.000 0.242 302 R C 2.188 178.369 176.300 -0.198 0.000 1.137 302 R CA 1.653 57.666 56.100 -0.144 0.000 0.944 302 R CB -0.725 29.507 30.300 -0.113 0.000 0.857 302 R HN 0.521 nan 8.270 nan 0.000 0.435 303 L N 0.674 121.784 121.223 -0.188 0.000 1.989 303 L HA -0.202 4.137 4.340 -0.001 0.000 0.211 303 L C 2.107 178.851 176.870 -0.210 0.000 1.071 303 L CA 1.663 56.380 54.840 -0.206 0.000 0.749 303 L CB -0.507 41.476 42.059 -0.126 0.000 0.890 303 L HN -0.018 nan 8.230 nan 0.000 0.431 304 V N 0.345 120.076 119.914 -0.305 0.000 2.231 304 V HA -0.416 3.703 4.120 -0.001 0.000 0.250 304 V C 2.764 178.698 176.094 -0.267 0.000 1.058 304 V CA 2.555 64.615 62.300 -0.400 0.000 1.022 304 V CB -0.927 30.562 31.823 -0.556 0.000 0.640 304 V HN 0.681 nan 8.190 nan 0.000 0.445 305 R N 0.305 120.626 120.500 -0.299 0.000 2.112 305 R HA -0.203 4.137 4.340 -0.001 0.000 0.242 305 R C 2.044 178.087 176.300 -0.428 0.000 1.137 305 R CA 2.650 58.519 56.100 -0.385 0.000 0.944 305 R CB -1.074 29.051 30.300 -0.292 0.000 0.857 305 R HN 0.324 nan 8.270 nan 0.000 0.435 306 V N 0.865 120.578 119.914 -0.335 0.000 2.220 306 V HA -0.354 3.766 4.120 -0.001 0.000 0.250 306 V C 2.455 178.344 176.094 -0.342 0.000 1.056 306 V CA 2.494 64.550 62.300 -0.407 0.000 1.016 306 V CB -1.111 30.326 31.823 -0.643 0.000 0.639 306 V HN 0.681 nan 8.190 nan 0.000 0.446 307 H N 0.527 119.384 119.070 -0.356 0.000 2.387 307 H HA -0.145 4.410 4.556 -0.001 0.000 0.299 307 H C 2.086 177.216 175.328 -0.330 0.000 1.099 307 H CA 2.031 57.922 56.048 -0.260 0.000 1.315 307 H CB -0.299 29.412 29.762 -0.085 0.000 1.380 307 H HN 0.385 nan 8.280 nan 0.000 0.513 308 A N 0.316 122.881 122.820 -0.425 0.000 1.873 308 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 308 A C 2.259 179.347 177.584 -0.827 0.000 1.193 308 A CA 1.829 53.336 52.037 -0.884 0.000 0.629 308 A CB -1.535 16.893 19.000 -0.952 0.000 0.826 308 A HN 0.699 nan 8.150 nan 0.000 0.447 309 Y N -0.145 119.820 120.300 -0.559 0.000 2.114 309 Y HA -0.273 4.276 4.550 -0.001 0.000 0.282 309 Y C 2.384 178.020 175.900 -0.440 0.000 1.165 309 Y CA 1.366 59.166 58.100 -0.500 0.000 1.148 309 Y CB -0.410 37.677 38.460 -0.621 0.000 0.972 309 Y HN 0.245 nan 8.280 nan 0.000 0.504 310 I N -0.557 119.858 120.570 -0.258 0.000 2.069 310 I HA -0.374 3.795 4.170 -0.001 0.000 0.237 310 I C 2.112 178.056 176.117 -0.289 0.000 1.053 310 I CA 1.507 62.692 61.300 -0.193 0.000 1.311 310 I CB -0.541 37.383 38.000 -0.126 0.000 1.030 310 I HN 0.164 nan 8.210 nan 0.000 0.398 311 I N 0.564 120.791 120.570 -0.571 0.000 2.163 311 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 311 I C 2.705 178.660 176.117 -0.271 0.000 1.085 311 I CA 1.544 62.445 61.300 -0.666 0.000 1.347 311 I CB -0.551 36.986 38.000 -0.771 0.000 1.044 311 I HN 0.127 nan 8.210 nan 0.000 0.408 312 S N -0.567 115.066 115.700 -0.111 0.000 2.369 312 S HA -0.282 4.188 4.470 -0.001 0.000 0.225 312 S C 2.074 176.808 174.600 0.223 0.000 1.043 312 S CA 1.864 60.148 58.200 0.140 0.000 1.074 312 S CB -0.765 62.542 63.200 0.178 0.000 0.962 312 S HN 0.448 nan 8.310 nan 0.000 0.433 313 Y N 1.351 121.647 120.300 -0.007 0.000 2.128 313 Y HA -0.150 4.399 4.550 -0.001 0.000 0.284 313 Y C 2.347 178.262 175.900 0.025 0.000 1.154 313 Y CA 0.780 58.899 58.100 0.032 0.000 1.149 313 Y CB -0.390 38.099 38.460 0.048 0.000 0.976 313 Y HN 0.153 nan 8.280 nan 0.000 0.505 314 L N 0.065 121.364 121.223 0.127 0.000 1.990 314 L HA -0.294 4.045 4.340 -0.001 0.000 0.213 314 L C 2.508 179.475 176.870 0.162 0.000 1.072 314 L CA 1.732 56.626 54.840 0.090 0.000 0.755 314 L CB -0.578 41.394 42.059 -0.146 0.000 0.889 314 L HN 0.117 nan 8.230 nan 0.000 0.432 315 K N 1.393 121.878 120.400 0.142 0.000 2.063 315 K HA -0.234 4.085 4.320 -0.001 0.000 0.208 315 K C 1.980 178.669 176.600 0.149 0.000 1.048 315 K CA 1.964 58.376 56.287 0.207 0.000 0.928 315 K CB -0.271 32.358 32.500 0.215 0.000 0.713 315 K HN 0.398 nan 8.250 nan 0.000 0.442 316 K N -0.663 119.801 120.400 0.107 0.000 2.362 316 K HA -0.095 4.225 4.320 -0.001 0.000 0.200 316 K C 1.597 178.227 176.600 0.049 0.000 1.046 316 K CA 1.409 57.727 56.287 0.052 0.000 0.952 316 K CB 0.032 32.519 32.500 -0.022 0.000 0.753 316 K HN 0.033 nan 8.250 nan 0.000 0.466 317 E N 0.414 120.667 120.200 0.088 0.000 2.190 317 E HA 0.089 4.439 4.350 -0.001 0.000 0.191 317 E C 0.249 176.918 176.600 0.115 0.000 0.978 317 E CA 0.313 56.769 56.400 0.094 0.000 0.839 317 E CB 0.151 29.923 29.700 0.121 0.000 0.787 317 E HN 0.197 nan 8.360 nan 0.000 0.473 318 M N 2.615 122.311 119.600 0.160 0.000 2.260 318 M HA 0.075 4.554 4.480 -0.001 0.000 0.348 318 M C -2.044 174.308 176.300 0.086 0.000 1.342 318 M CA -1.347 54.046 55.300 0.155 0.000 1.040 318 M CB -0.212 32.517 32.600 0.216 0.000 1.810 318 M HN -0.050 nan 8.290 nan 0.000 0.453 319 P HA 0.179 nan 4.420 nan 0.000 0.284 319 P C 0.670 177.959 177.300 -0.019 0.000 1.253 319 P CA -0.221 62.893 63.100 0.023 0.000 0.800 319 P CB 0.410 32.134 31.700 0.039 0.000 0.961 320 T N 0.746 115.261 114.554 -0.065 0.000 2.516 320 T HA -0.204 4.146 4.350 -0.001 0.000 0.261 320 T C 1.512 176.124 174.700 -0.147 0.000 1.130 320 T CA 2.107 64.148 62.100 -0.098 0.000 1.193 320 T CB -1.067 67.728 68.868 -0.122 0.000 0.864 320 T HN 0.183 nan 8.240 nan 0.000 0.410 321 V N 0.473 120.203 119.914 -0.307 0.000 2.599 321 V HA 0.422 4.542 4.120 -0.001 0.000 0.237 321 V C 0.429 176.376 176.094 -0.246 0.000 1.081 321 V CA 0.295 62.385 62.300 -0.350 0.000 1.107 321 V CB -0.095 31.417 31.823 -0.519 0.000 0.808 321 V HN 0.649 nan 8.190 nan 0.000 0.486 322 F N -1.241 118.711 119.950 0.004 0.000 2.546 322 F HA 0.863 5.390 4.527 -0.000 0.000 0.320 322 F C 0.794 176.594 175.800 -0.000 0.000 1.076 322 F CA -0.315 57.685 58.000 -0.001 0.000 0.928 322 F CB 1.648 40.646 39.000 -0.002 0.000 1.189 322 F HN 0.266 nan 8.300 nan 0.000 0.465 323 G N 1.424 110.369 108.800 0.242 0.000 2.253 323 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.209 323 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.209 323 G C 1.074 176.012 174.900 0.063 0.000 0.997 323 G CA 0.061 45.241 45.100 0.133 0.000 0.640 323 G HN 0.858 nan 8.290 nan 0.000 0.496 324 K N 0.420 120.851 120.400 0.052 0.000 2.090 324 K HA -0.264 4.056 4.320 -0.001 0.000 0.218 324 K C 1.740 178.311 176.600 -0.047 0.000 1.055 324 K CA 1.911 58.200 56.287 0.003 0.000 0.941 324 K CB -0.626 31.872 32.500 -0.003 0.000 0.722 324 K HN 0.432 nan 8.250 nan 0.000 0.458 325 E N 1.310 121.487 120.200 -0.039 0.000 2.037 325 E HA -0.249 4.101 4.350 -0.001 0.000 0.214 325 E C 2.031 178.581 176.600 -0.084 0.000 1.041 325 E CA 2.120 58.481 56.400 -0.066 0.000 0.872 325 E CB -0.628 29.052 29.700 -0.033 0.000 0.785 325 E HN 0.729 nan 8.360 nan 0.000 0.476 326 N N 0.329 119.003 118.700 -0.045 0.000 2.354 326 N HA -0.120 4.619 4.740 -0.001 0.000 0.179 326 N C 1.742 177.231 175.510 -0.036 0.000 1.021 326 N CA 0.497 53.523 53.050 -0.039 0.000 0.887 326 N CB -0.029 38.447 38.487 -0.018 0.000 0.974 326 N HN -0.084 nan 8.380 nan 0.000 0.437 327 K N 1.965 122.352 120.400 -0.023 0.000 2.103 327 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 327 K C 1.890 178.474 176.600 -0.027 0.000 1.048 327 K CA 0.979 57.268 56.287 0.003 0.000 0.930 327 K CB -0.204 32.315 32.500 0.033 0.000 0.716 327 K HN 0.352 nan 8.250 nan 0.000 0.444 328 K N 0.943 121.255 120.400 -0.146 0.000 1.967 328 K HA -0.125 4.194 4.320 -0.001 0.000 0.212 328 K C 2.042 178.515 176.600 -0.211 0.000 1.044 328 K CA 1.289 57.350 56.287 -0.376 0.000 0.942 328 K CB -0.080 31.980 32.500 -0.732 0.000 0.726 328 K HN -0.054 nan 8.250 nan 0.000 0.440 329 K N 0.766 121.073 120.400 -0.156 0.000 2.059 329 K HA -0.275 4.044 4.320 -0.001 0.000 0.212 329 K C 2.410 178.995 176.600 -0.025 0.000 1.050 329 K CA 2.191 58.434 56.287 -0.073 0.000 0.927 329 K CB -0.216 32.253 32.500 -0.052 0.000 0.714 329 K HN 0.380 nan 8.250 nan 0.000 0.447 330 Q N 1.111 120.899 119.800 -0.019 0.000 2.096 330 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 330 Q C 2.167 178.181 176.000 0.022 0.000 0.982 330 Q CA 1.267 57.072 55.803 0.002 0.000 0.850 330 Q CB -0.145 28.596 28.738 0.005 0.000 0.901 330 Q HN 0.341 nan 8.270 nan 0.000 0.422 331 L N 1.047 122.296 121.223 0.044 0.000 2.081 331 L HA -0.202 4.138 4.340 -0.001 0.000 0.212 331 L C 2.400 179.334 176.870 0.106 0.000 1.080 331 L CA 1.311 56.215 54.840 0.107 0.000 0.754 331 L CB -0.339 41.854 42.059 0.224 0.000 0.893 331 L HN 0.498 nan 8.230 nan 0.000 0.433 332 I N -4.368 116.261 120.570 0.099 0.000 3.419 332 I HA -0.125 4.044 4.170 -0.001 0.000 0.286 332 I C 2.232 178.361 176.117 0.020 0.000 1.268 332 I CA 0.278 61.626 61.300 0.079 0.000 1.414 332 I CB -0.166 37.912 38.000 0.130 0.000 1.074 332 I HN 0.131 nan 8.210 nan 0.000 0.457 333 L N 1.974 123.204 121.223 0.012 0.000 2.093 333 L HA -0.049 4.290 4.340 -0.001 0.000 0.208 333 L C 1.954 178.811 176.870 -0.022 0.000 1.085 333 L CA 1.747 56.585 54.840 -0.003 0.000 0.755 333 L CB -0.471 41.588 42.059 0.000 0.000 0.904 333 L HN 0.270 nan 8.230 nan 0.000 0.435 334 K N -0.385 120.001 120.400 -0.022 0.000 2.969 334 K HA 0.081 4.400 4.320 -0.001 0.000 0.222 334 K C 1.203 177.744 176.600 -0.098 0.000 1.172 334 K CA -0.058 56.204 56.287 -0.042 0.000 1.192 334 K CB -0.023 32.470 32.500 -0.012 0.000 1.111 334 K HN 0.327 nan 8.250 nan 0.000 0.457 335 L N 1.082 122.207 121.223 -0.163 0.000 2.102 335 L HA 0.041 4.381 4.340 -0.001 0.000 0.202 335 L C -0.887 175.667 176.870 -0.526 0.000 1.076 335 L CA 0.723 55.339 54.840 -0.374 0.000 0.761 335 L CB -0.588 41.230 42.059 -0.401 0.000 0.921 335 L HN 0.255 nan 8.230 nan 0.000 0.444 336 P HA -0.131 nan 4.420 nan 0.000 0.218 336 P C 1.818 179.029 177.300 -0.150 0.000 1.148 336 P CA 1.306 64.281 63.100 -0.208 0.000 0.822 336 P CB -0.052 31.594 31.700 -0.090 0.000 0.784 337 V N 0.753 120.593 119.914 -0.124 0.000 2.295 337 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 337 V C 2.734 178.791 176.094 -0.062 0.000 1.049 337 V CA 1.538 63.795 62.300 -0.072 0.000 1.024 337 V CB -1.182 30.614 31.823 -0.046 0.000 0.648 337 V HN -0.020 nan 8.190 nan 0.000 0.447 338 I N -0.282 120.230 120.570 -0.096 0.000 2.052 338 I HA -0.229 3.940 4.170 -0.001 0.000 0.235 338 I C 2.511 178.657 176.117 0.047 0.000 1.046 338 I CA 2.065 63.348 61.300 -0.029 0.000 1.308 338 I CB -1.353 36.598 38.000 -0.082 0.000 1.031 338 I HN 0.214 nan 8.210 nan 0.000 0.395 339 F N 1.358 121.238 119.950 -0.116 0.000 2.063 339 F HA -0.291 4.236 4.527 0.000 0.000 0.298 339 F C 2.755 178.284 175.800 -0.452 0.000 1.105 339 F CA 1.329 59.114 58.000 -0.359 0.000 1.215 339 F CB -1.779 36.857 39.000 -0.608 0.000 0.972 339 F HN 0.122 nan 8.300 nan 0.000 0.483 340 A N -0.038 122.711 122.820 -0.118 0.000 1.851 340 A HA -0.251 4.069 4.320 -0.001 0.000 0.216 340 A C 2.314 179.860 177.584 -0.063 0.000 1.195 340 A CA 2.145 54.108 52.037 -0.123 0.000 0.622 340 A CB -0.821 18.130 19.000 -0.082 0.000 0.831 340 A HN 0.385 nan 8.150 nan 0.000 0.444 341 K N -0.482 119.905 120.400 -0.022 0.000 2.063 341 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 341 K C 1.825 178.430 176.600 0.008 0.000 1.048 341 K CA 1.596 57.883 56.287 0.001 0.000 0.928 341 K CB -0.450 32.071 32.500 0.035 0.000 0.713 341 K HN 0.561 nan 8.250 nan 0.000 0.442 342 I N 1.373 121.964 120.570 0.035 0.000 2.335 342 I HA -0.328 3.841 4.170 -0.001 0.000 0.251 342 I C 2.304 178.465 176.117 0.073 0.000 1.129 342 I CA 1.420 62.740 61.300 0.033 0.000 1.402 342 I CB -0.336 37.680 38.000 0.027 0.000 1.069 342 I HN 0.285 nan 8.210 nan 0.000 0.424 343 Q N 0.475 120.318 119.800 0.071 0.000 2.123 343 Q HA -0.124 4.216 4.340 -0.001 0.000 0.199 343 Q C 2.429 178.396 176.000 -0.056 0.000 0.966 343 Q CA 1.091 56.925 55.803 0.053 0.000 0.845 343 Q CB -0.049 28.703 28.738 0.023 0.000 0.907 343 Q HN 0.508 nan 8.270 nan 0.000 0.439 344 L N 0.879 122.060 121.223 -0.069 0.000 2.043 344 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 344 L C 1.673 178.421 176.870 -0.203 0.000 1.075 344 L CA 1.678 56.457 54.840 -0.102 0.000 0.752 344 L CB -0.257 41.762 42.059 -0.067 0.000 0.891 344 L HN 0.394 nan 8.230 nan 0.000 0.432 345 E N -3.229 116.831 120.200 -0.232 0.000 2.624 345 E HA 0.053 4.403 4.350 -0.001 0.000 0.210 345 E C 0.770 177.024 176.600 -0.577 0.000 0.997 345 E CA -0.116 56.065 56.400 -0.364 0.000 0.999 345 E CB 0.303 29.832 29.700 -0.285 0.000 1.040 345 E HN 0.443 nan 8.360 nan 0.000 0.469 346 H N 0.374 119.206 119.070 -0.396 0.000 3.734 346 H HA 0.122 4.678 4.556 -0.001 0.000 0.253 346 H C -0.670 174.551 175.328 -0.178 0.000 1.072 346 H CA 0.314 56.170 56.048 -0.321 0.000 1.147 346 H CB 0.483 29.992 29.762 -0.421 0.000 1.495 346 H HN 0.275 nan 8.280 nan 0.000 0.588 347 H N 0.630 119.745 119.070 0.076 0.000 3.094 347 H HA -0.098 4.458 4.556 -0.001 0.000 0.336 347 H C -0.110 175.252 175.328 0.057 0.000 1.069 347 H CA 0.744 56.825 56.048 0.056 0.000 1.079 347 H CB -1.292 28.494 29.762 0.039 0.000 1.599 347 H HN 0.247 nan 8.280 nan 0.000 0.380 348 I N -2.354 118.302 120.570 0.144 0.000 3.191 348 I HA 0.693 4.862 4.170 -0.001 0.000 0.313 348 I C -0.063 176.130 176.117 0.126 0.000 1.193 348 I CA -1.038 60.320 61.300 0.096 0.000 0.968 348 I CB 2.142 40.145 38.000 0.005 0.000 1.262 348 I HN 0.320 nan 8.210 nan 0.000 0.456 349 S N 1.605 117.357 115.700 0.087 0.000 2.578 349 S HA 0.507 4.977 4.470 -0.001 0.000 0.283 349 S C -1.803 172.892 174.600 0.158 0.000 1.195 349 S CA -1.352 56.904 58.200 0.094 0.000 1.050 349 S CB 1.161 64.387 63.200 0.044 0.000 1.012 349 S HN 0.527 nan 8.310 nan 0.000 0.511 350 P HA -0.083 nan 4.420 nan 0.000 0.219 350 P C 1.251 178.615 177.300 0.107 0.000 1.145 350 P CA 1.160 64.332 63.100 0.119 0.000 0.813 350 P CB -0.145 31.579 31.700 0.040 0.000 0.771 351 G N -0.898 107.939 108.800 0.061 0.000 2.534 351 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.217 351 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.217 351 G C 0.914 175.806 174.900 -0.013 0.000 1.128 351 G CA 0.563 45.672 45.100 0.016 0.000 0.784 351 G HN 0.231 nan 8.290 nan 0.000 0.542 352 D N -0.718 119.673 120.400 -0.015 0.000 2.327 352 D HA 0.148 4.788 4.640 -0.001 0.000 0.205 352 D C 0.308 176.459 176.300 -0.248 0.000 0.989 352 D CA -0.158 53.753 54.000 -0.149 0.000 0.873 352 D CB 0.098 40.763 40.800 -0.225 0.000 0.955 352 D HN 0.246 nan 8.370 nan 0.000 0.515 353 F N 1.245 121.079 119.950 -0.192 0.000 2.429 353 F HA 0.272 4.799 4.527 -0.001 0.000 0.348 353 F C -1.368 174.288 175.800 -0.242 0.000 1.109 353 F CA -1.953 55.857 58.000 -0.317 0.000 1.232 353 F CB 0.325 39.069 39.000 -0.427 0.000 1.157 353 F HN -0.160 nan 8.300 nan 0.000 0.564 354 P HA -0.006 nan 4.420 nan 0.000 0.282 354 P C -0.896 176.469 177.300 0.108 0.000 1.286 354 P CA -0.485 62.642 63.100 0.044 0.000 0.777 354 P CB 0.412 32.216 31.700 0.173 0.000 1.184 355 D N -0.391 120.109 120.400 0.166 0.000 2.343 355 D HA -0.015 4.625 4.640 -0.001 0.000 0.255 355 D C 1.039 177.506 176.300 0.278 0.000 1.187 355 D CA -0.178 53.934 54.000 0.186 0.000 0.875 355 D CB 0.723 41.612 40.800 0.149 0.000 1.136 355 D HN 0.232 nan 8.370 nan 0.000 0.469 356 C N 3.858 123.361 119.300 0.338 0.000 2.413 356 C HA -0.182 4.278 4.460 -0.001 0.000 0.276 356 C C 2.467 177.588 174.990 0.218 0.000 1.236 356 C CA 1.012 60.270 59.018 0.399 0.000 1.735 356 C CB -0.653 27.245 27.740 0.263 0.000 2.031 356 C HN 0.739 nan 8.230 nan 0.000 0.474 357 Q N -0.139 119.756 119.800 0.158 0.000 2.079 357 Q HA -0.190 4.149 4.340 -0.001 0.000 0.200 357 Q C 2.274 178.351 176.000 0.128 0.000 0.974 357 Q CA 1.810 57.684 55.803 0.118 0.000 0.840 357 Q CB -0.127 28.667 28.738 0.093 0.000 0.898 357 Q HN 0.527 nan 8.270 nan 0.000 0.430 358 K N 0.613 121.097 120.400 0.140 0.000 2.002 358 K HA -0.165 4.154 4.320 -0.001 0.000 0.209 358 K C 1.856 178.551 176.600 0.159 0.000 1.048 358 K CA 1.414 57.780 56.287 0.131 0.000 0.930 358 K CB -0.284 32.290 32.500 0.123 0.000 0.714 358 K HN 0.066 nan 8.250 nan 0.000 0.438 359 M N 1.100 120.823 119.600 0.206 0.000 2.260 359 M HA -0.221 4.259 4.480 -0.001 0.000 0.261 359 M C 1.757 178.195 176.300 0.228 0.000 1.066 359 M CA 1.706 57.157 55.300 0.251 0.000 1.082 359 M CB -0.171 32.638 32.600 0.349 0.000 1.388 359 M HN 0.269 nan 8.290 nan 0.000 0.419 360 Q N -0.805 119.104 119.800 0.182 0.000 2.083 360 Q HA -0.159 4.181 4.340 -0.001 0.000 0.198 360 Q C 2.071 178.165 176.000 0.156 0.000 0.969 360 Q CA 1.608 57.502 55.803 0.153 0.000 0.838 360 Q CB -0.174 28.627 28.738 0.105 0.000 0.900 360 Q HN 0.612 nan 8.270 nan 0.000 0.436 361 E N 0.510 120.791 120.200 0.135 0.000 2.049 361 E HA -0.219 4.131 4.350 -0.001 0.000 0.198 361 E C 2.055 178.741 176.600 0.143 0.000 1.007 361 E CA 1.195 57.667 56.400 0.119 0.000 0.809 361 E CB -0.110 29.646 29.700 0.095 0.000 0.749 361 E HN 0.320 nan 8.360 nan 0.000 0.450 362 L N 0.579 121.896 121.223 0.158 0.000 2.027 362 L HA -0.192 4.147 4.340 -0.001 0.000 0.206 362 L C 2.576 179.603 176.870 0.261 0.000 1.074 362 L CA 0.518 55.443 54.840 0.142 0.000 0.745 362 L CB -0.521 41.584 42.059 0.077 0.000 0.898 362 L HN 0.225 nan 8.230 nan 0.000 0.433 363 L N -0.513 120.932 121.223 0.371 0.000 2.129 363 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 363 L C 2.590 179.747 176.870 0.477 0.000 1.087 363 L CA 1.867 56.995 54.840 0.479 0.000 0.757 363 L CB -0.781 41.525 42.059 0.411 0.000 0.896 363 L HN 0.377 nan 8.230 nan 0.000 0.434 364 M N -0.289 119.491 119.600 0.299 0.000 2.159 364 M HA -0.130 4.349 4.480 -0.001 0.000 0.263 364 M C 2.191 178.616 176.300 0.210 0.000 1.063 364 M CA 1.982 57.404 55.300 0.204 0.000 1.110 364 M CB -0.541 32.140 32.600 0.134 0.000 1.374 364 M HN 0.186 nan 8.290 nan 0.000 0.411 365 A N -1.659 121.311 122.820 0.249 0.000 2.014 365 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 365 A C 0.651 178.417 177.584 0.304 0.000 1.163 365 A CA 0.920 53.100 52.037 0.237 0.000 0.652 365 A CB -0.906 18.215 19.000 0.201 0.000 0.808 365 A HN 0.554 nan 8.150 nan 0.000 0.449 366 H N -0.656 118.540 119.070 0.211 0.000 2.499 366 H HA 0.485 5.040 4.556 -0.001 0.000 0.352 366 H C -0.677 174.738 175.328 0.145 0.000 1.237 366 H CA -1.048 55.118 56.048 0.197 0.000 1.343 366 H CB 0.542 30.542 29.762 0.397 0.000 1.578 366 H HN 0.181 nan 8.280 nan 0.000 0.577 367 D N 0.773 121.193 120.400 0.035 0.000 2.280 367 D HA 0.054 4.693 4.640 -0.001 0.000 0.236 367 D C 0.168 176.271 176.300 -0.328 0.000 1.082 367 D CA -0.306 53.659 54.000 -0.058 0.000 0.834 367 D CB 0.370 41.104 40.800 -0.110 0.000 1.100 367 D HN 0.201 nan 8.370 nan 0.000 0.486 368 F N 1.300 120.966 119.950 -0.474 0.000 2.163 368 F HA -0.106 4.422 4.527 0.002 0.000 0.297 368 F C 2.707 178.316 175.800 -0.318 0.000 1.094 368 F CA 1.450 59.142 58.000 -0.513 0.000 1.290 368 F CB -1.199 37.792 39.000 -0.015 0.000 1.017 368 F HN 0.500 nan 8.300 nan 0.000 0.483 369 T N -2.090 112.467 114.554 0.006 0.000 2.977 369 T HA -0.158 4.191 4.350 -0.001 0.000 0.271 369 T C 1.675 176.331 174.700 -0.074 0.000 1.105 369 T CA 0.992 63.088 62.100 -0.007 0.000 1.116 369 T CB -0.264 68.596 68.868 -0.013 0.000 0.878 369 T HN 0.135 nan 8.240 nan 0.000 0.509 370 K N 0.222 120.517 120.400 -0.176 0.000 2.361 370 K HA 0.231 4.551 4.320 -0.001 0.000 0.196 370 K C 0.550 177.038 176.600 -0.187 0.000 1.039 370 K CA -0.193 55.982 56.287 -0.187 0.000 1.001 370 K CB -0.133 32.258 32.500 -0.182 0.000 0.795 370 K HN 0.482 nan 8.250 nan 0.000 0.495 371 F N 1.670 121.570 119.950 -0.083 0.000 2.586 371 F HA -0.079 4.447 4.527 -0.001 0.000 0.344 371 F C 1.606 177.262 175.800 -0.241 0.000 1.188 371 F CA -0.075 57.854 58.000 -0.119 0.000 1.359 371 F CB 0.369 39.334 39.000 -0.057 0.000 1.129 371 F HN 0.056 nan 8.300 nan 0.000 0.609 372 H N 0.399 119.519 119.070 0.084 0.000 2.495 372 H HA 0.291 4.847 4.556 -0.000 0.000 0.350 372 H C -0.276 175.080 175.328 0.047 0.000 1.202 372 H CA -0.570 55.411 56.048 -0.111 0.000 1.322 372 H CB 1.505 30.844 29.762 -0.705 0.000 1.544 372 H HN 0.469 nan 8.280 nan 0.000 0.565 373 S N 0.507 116.347 115.700 0.233 0.000 2.693 373 S HA 0.200 4.669 4.470 -0.001 0.000 0.276 373 S C 0.395 175.199 174.600 0.341 0.000 1.192 373 S CA -0.861 57.485 58.200 0.244 0.000 0.994 373 S CB 1.101 64.408 63.200 0.178 0.000 1.012 373 S HN 0.387 nan 8.310 nan 0.000 0.550 374 L N 1.933 123.328 121.223 0.287 0.000 2.540 374 L HA 0.079 4.419 4.340 -0.001 0.000 0.276 374 L C -0.236 176.799 176.870 0.275 0.000 1.212 374 L CA 0.628 55.644 54.840 0.292 0.000 0.893 374 L CB 0.109 42.312 42.059 0.241 0.000 1.138 374 L HN 0.429 nan 8.230 nan 0.000 0.491 375 K N 6.361 126.946 120.400 0.307 0.000 2.579 375 K HA 0.271 4.591 4.320 -0.001 0.000 0.225 375 K C -2.048 174.634 176.600 0.137 0.000 0.992 375 K CA -1.551 54.864 56.287 0.214 0.000 1.018 375 K CB 1.563 34.206 32.500 0.238 0.000 1.249 375 K HN 0.351 nan 8.250 nan 0.000 0.489 376 P HA -0.235 nan 4.420 nan 0.000 0.219 376 P C 0.887 178.219 177.300 0.054 0.000 1.146 376 P CA 1.303 64.459 63.100 0.092 0.000 0.808 376 P CB 0.298 32.055 31.700 0.094 0.000 0.779 377 K N 0.164 120.588 120.400 0.040 0.000 1.978 377 K HA -0.132 4.187 4.320 -0.001 0.000 0.214 377 K C 2.048 178.646 176.600 -0.003 0.000 1.049 377 K CA 1.440 57.733 56.287 0.012 0.000 0.939 377 K CB -1.504 30.993 32.500 -0.005 0.000 0.721 377 K HN 0.116 nan 8.250 nan 0.000 0.441 378 L N 1.096 122.318 121.223 -0.002 0.000 2.012 378 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 378 L C 2.718 179.570 176.870 -0.030 0.000 1.073 378 L CA 1.063 55.894 54.840 -0.015 0.000 0.748 378 L CB -0.740 41.329 42.059 0.018 0.000 0.891 378 L HN 0.136 nan 8.230 nan 0.000 0.431 379 L N -0.276 120.926 121.223 -0.036 0.000 1.978 379 L HA -0.289 4.051 4.340 -0.001 0.000 0.218 379 L C 2.736 179.577 176.870 -0.048 0.000 1.075 379 L CA 1.655 56.438 54.840 -0.095 0.000 0.767 379 L CB -0.595 41.387 42.059 -0.129 0.000 0.890 379 L HN 0.256 nan 8.230 nan 0.000 0.434 380 E N -0.495 119.699 120.200 -0.009 0.000 2.065 380 E HA -0.356 3.994 4.350 -0.001 0.000 0.201 380 E C 2.207 178.798 176.600 -0.014 0.000 1.016 380 E CA 1.469 57.871 56.400 0.002 0.000 0.818 380 E CB -0.274 29.434 29.700 0.013 0.000 0.749 380 E HN 0.562 nan 8.360 nan 0.000 0.453 381 A N 1.761 124.567 122.820 -0.024 0.000 1.903 381 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 381 A C 2.179 179.740 177.584 -0.039 0.000 1.191 381 A CA 1.351 53.368 52.037 -0.033 0.000 0.638 381 A CB -0.783 18.191 19.000 -0.044 0.000 0.823 381 A HN 0.273 nan 8.150 nan 0.000 0.451 382 L N -0.169 121.023 121.223 -0.052 0.000 1.943 382 L HA -0.230 4.109 4.340 -0.001 0.000 0.215 382 L C 2.123 178.967 176.870 -0.043 0.000 1.074 382 L CA 2.951 57.754 54.840 -0.061 0.000 0.759 382 L CB -1.359 40.643 42.059 -0.096 0.000 0.888 382 L HN 0.428 nan 8.230 nan 0.000 0.433 383 D N -0.058 120.320 120.400 -0.036 0.000 2.154 383 D HA -0.285 4.354 4.640 -0.001 0.000 0.190 383 D C 1.792 178.086 176.300 -0.011 0.000 1.003 383 D CA 1.905 55.895 54.000 -0.016 0.000 0.849 383 D CB -0.430 40.375 40.800 0.008 0.000 0.942 383 D HN 0.485 nan 8.370 nan 0.000 0.446 384 D N -0.618 119.776 120.400 -0.010 0.000 2.104 384 D HA -0.181 4.458 4.640 -0.001 0.000 0.194 384 D C 2.047 178.340 176.300 -0.012 0.000 0.994 384 D CA 1.151 55.146 54.000 -0.008 0.000 0.830 384 D CB -0.108 40.687 40.800 -0.009 0.000 0.959 384 D HN 0.105 nan 8.370 nan 0.000 0.452 385 M N 0.381 119.970 119.600 -0.017 0.000 2.255 385 M HA -0.238 4.242 4.480 -0.001 0.000 0.260 385 M C 2.210 178.504 176.300 -0.010 0.000 1.069 385 M CA 2.061 57.352 55.300 -0.015 0.000 1.089 385 M CB -0.560 32.029 32.600 -0.020 0.000 1.269 385 M HN 0.265 nan 8.290 nan 0.000 0.434 386 L N -0.108 121.107 121.223 -0.013 0.000 1.956 386 L HA -0.102 4.237 4.340 -0.001 0.000 0.216 386 L C 2.633 179.499 176.870 -0.007 0.000 1.073 386 L CA 1.635 56.470 54.840 -0.009 0.000 0.762 386 L CB -2.151 39.898 42.059 -0.016 0.000 0.889 386 L HN 0.431 nan 8.230 nan 0.000 0.433 387 A N 0.588 123.404 122.820 -0.008 0.000 2.007 387 A HA -0.318 4.002 4.320 -0.001 0.000 0.214 387 A C 2.294 179.875 177.584 -0.005 0.000 1.302 387 A CA 2.691 54.725 52.037 -0.006 0.000 0.770 387 A CB -1.165 17.832 19.000 -0.004 0.000 0.831 387 A HN 0.711 nan 8.150 nan 0.000 0.491 388 Q N -1.127 118.670 119.800 -0.005 0.000 2.049 388 Q HA -0.133 4.207 4.340 -0.001 0.000 0.198 388 Q C 1.749 177.747 176.000 -0.004 0.000 0.971 388 Q CA 1.300 57.100 55.803 -0.004 0.000 0.833 388 Q CB -0.368 28.367 28.738 -0.005 0.000 0.896 388 Q HN 0.671 nan 8.270 nan 0.000 0.434 389 D N 1.031 121.428 120.400 -0.004 0.000 2.117 389 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 389 D C 1.988 178.289 176.300 0.001 0.000 0.987 389 D CA 0.967 54.965 54.000 -0.003 0.000 0.829 389 D CB -0.038 40.760 40.800 -0.004 0.000 0.961 389 D HN 0.231 nan 8.370 nan 0.000 0.460 390 I N 1.341 121.913 120.570 0.002 0.000 2.353 390 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 390 I C 2.583 178.701 176.117 0.002 0.000 1.119 390 I CA 0.498 61.801 61.300 0.005 0.000 1.417 390 I CB -0.177 37.827 38.000 0.006 0.000 1.078 390 I HN -0.107 nan 8.210 nan 0.000 0.421 391 A N 1.204 124.024 122.820 -0.001 0.000 1.881 391 A HA -0.342 3.977 4.320 -0.001 0.000 0.219 391 A C 2.396 179.979 177.584 -0.002 0.000 1.215 391 A CA 2.510 54.546 52.037 -0.002 0.000 0.648 391 A CB -0.695 18.303 19.000 -0.003 0.000 0.832 391 A HN 0.402 nan 8.150 nan 0.000 0.455 392 K N -0.583 119.817 120.400 -0.001 0.000 2.217 392 K HA 0.053 4.372 4.320 -0.001 0.000 0.202 392 K C 1.907 178.507 176.600 0.000 0.000 1.051 392 K CA 0.857 57.143 56.287 -0.002 0.000 0.952 392 K CB -0.239 32.259 32.500 -0.003 0.000 0.736 392 K HN 0.503 nan 8.250 nan 0.000 0.453 393 L N 0.697 121.922 121.223 0.003 0.000 2.131 393 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 393 L C 2.487 179.360 176.870 0.005 0.000 1.092 393 L CA 0.591 55.434 54.840 0.006 0.000 0.759 393 L CB -0.309 41.757 42.059 0.011 0.000 0.903 393 L HN 0.301 nan 8.230 nan 0.000 0.435 394 M N -0.043 119.558 119.600 0.002 0.000 2.163 394 M HA -0.180 4.300 4.480 -0.001 0.000 0.258 394 M C 0.001 176.299 176.300 -0.003 0.000 1.071 394 M CA 2.254 57.553 55.300 -0.001 0.000 1.093 394 M CB -2.532 30.066 32.600 -0.003 0.000 1.285 394 M HN 0.018 nan 8.290 nan 0.000 0.420 395 P HA -0.153 nan 4.420 nan 0.000 0.217 395 P C 2.041 179.340 177.300 -0.002 0.000 1.148 395 P CA 1.153 64.251 63.100 -0.004 0.000 0.828 395 P CB -0.242 31.456 31.700 -0.003 0.000 0.783 396 L N -1.362 119.861 121.223 0.000 0.000 2.109 396 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 396 L C 2.172 179.044 176.870 0.003 0.000 1.086 396 L CA 1.056 55.897 54.840 0.002 0.000 0.760 396 L CB -0.719 41.341 42.059 0.003 0.000 0.910 396 L HN -0.064 nan 8.230 nan 0.000 0.437 397 L N 0.508 121.734 121.223 0.004 0.000 1.990 397 L HA -0.285 4.055 4.340 -0.001 0.000 0.213 397 L C 2.667 179.536 176.870 -0.001 0.000 1.072 397 L CA 1.937 56.780 54.840 0.006 0.000 0.755 397 L CB -0.538 41.524 42.059 0.005 0.000 0.889 397 L HN 0.177 nan 8.230 nan 0.000 0.432 398 R N -0.953 119.542 120.500 -0.008 0.000 2.094 398 R HA -0.257 4.083 4.340 -0.001 0.000 0.239 398 R C 2.327 178.623 176.300 -0.007 0.000 1.137 398 R CA 1.733 57.825 56.100 -0.014 0.000 0.943 398 R CB -0.722 29.569 30.300 -0.015 0.000 0.850 398 R HN 0.434 nan 8.270 nan 0.000 0.433 399 Q N 1.205 121.003 119.800 -0.003 0.000 2.112 399 Q HA -0.208 4.131 4.340 -0.001 0.000 0.206 399 Q C 1.608 177.610 176.000 0.003 0.000 0.987 399 Q CA 1.860 57.662 55.803 -0.000 0.000 0.858 399 Q CB -0.041 28.697 28.738 0.000 0.000 0.905 399 Q HN 0.415 nan 8.270 nan 0.000 0.420 400 E N -0.312 119.892 120.200 0.006 0.000 2.106 400 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 400 E C 1.655 178.266 176.600 0.018 0.000 0.984 400 E CA 0.987 57.395 56.400 0.012 0.000 0.806 400 E CB -0.049 29.662 29.700 0.017 0.000 0.750 400 E HN 0.522 nan 8.360 nan 0.000 0.458 401 E N 0.802 121.009 120.200 0.012 0.000 2.478 401 E HA -0.119 4.231 4.350 -0.001 0.000 0.198 401 E C -0.055 176.553 176.600 0.013 0.000 1.046 401 E CA 0.196 56.604 56.400 0.013 0.000 0.870 401 E CB 0.131 29.813 29.700 -0.031 0.000 0.818 401 E HN 0.046 nan 8.360 nan 0.000 0.527 402 L N -0.620 120.608 121.223 0.008 0.000 2.504 402 L HA 0.512 4.852 4.340 -0.001 0.000 0.249 402 L C 0.026 176.903 176.870 0.011 0.000 1.120 402 L CA -0.178 54.669 54.840 0.011 0.000 0.997 402 L CB 1.096 43.158 42.059 0.005 0.000 1.349 402 L HN -0.221 nan 8.230 nan 0.000 0.439 403 E N 0.121 120.330 120.200 0.016 0.000 3.635 403 E HA 0.324 4.674 4.350 -0.001 0.000 0.183 403 E C -0.224 176.381 176.600 0.009 0.000 1.263 403 E CA 0.226 56.632 56.400 0.011 0.000 1.427 403 E CB 0.714 30.421 29.700 0.011 0.000 1.724 403 E HN 0.390 nan 8.360 nan 0.000 0.520 404 S N 0.685 116.391 115.700 0.010 0.000 2.775 404 S HA 0.248 4.717 4.470 -0.001 0.000 0.277 404 S C 0.143 174.743 174.600 0.000 0.000 1.156 404 S CA -0.278 57.924 58.200 0.002 0.000 1.081 404 S CB 1.447 64.644 63.200 -0.003 0.000 1.054 404 S HN 0.044 nan 8.310 nan 0.000 0.482 405 V N 4.793 124.707 119.914 -0.000 0.000 3.305 405 V HA 0.006 4.125 4.120 -0.001 0.000 0.269 405 V C 2.090 178.168 176.094 -0.027 0.000 1.157 405 V CA 1.963 64.259 62.300 -0.008 0.000 1.157 405 V CB -0.473 31.349 31.823 -0.001 0.000 0.772 405 V HN 0.981 nan 8.190 nan 0.000 0.498 406 E N 0.773 120.958 120.200 -0.024 0.000 2.097 406 E HA -0.275 4.074 4.350 -0.001 0.000 0.196 406 E C 2.104 178.675 176.600 -0.050 0.000 1.000 406 E CA 1.680 58.060 56.400 -0.034 0.000 0.804 406 E CB -0.245 29.439 29.700 -0.026 0.000 0.740 406 E HN 0.696 nan 8.360 nan 0.000 0.454 407 A N 1.232 124.023 122.820 -0.048 0.000 2.024 407 A HA -0.057 4.262 4.320 -0.001 0.000 0.220 407 A C 1.516 179.043 177.584 -0.094 0.000 1.164 407 A CA 1.134 53.132 52.037 -0.064 0.000 0.643 407 A CB -1.220 17.749 19.000 -0.052 0.000 0.806 407 A HN 0.370 nan 8.150 nan 0.000 0.451 408 G N -0.409 108.334 108.800 -0.095 0.000 2.349 408 G HA2 0.297 4.257 3.960 -0.001 0.000 0.232 408 G HA3 0.297 4.257 3.960 -0.001 0.000 0.232 408 G C 0.120 174.907 174.900 -0.187 0.000 1.240 408 G CA 0.107 45.126 45.100 -0.134 0.000 0.870 408 G HN 0.508 nan 8.290 nan 0.000 0.528 409 V N 1.797 121.533 119.914 -0.297 0.000 2.599 409 V HA 0.385 4.505 4.120 -0.001 0.000 0.300 409 V C 1.064 176.945 176.094 -0.356 0.000 1.034 409 V CA 0.174 62.227 62.300 -0.411 0.000 1.115 409 V CB 0.206 31.567 31.823 -0.771 0.000 0.934 409 V HN 1.026 nan 8.190 nan 0.000 0.485 410 A N 4.169 126.858 122.820 -0.218 0.000 2.295 410 A HA 0.765 5.085 4.320 -0.001 0.000 0.318 410 A C 0.918 178.482 177.584 -0.033 0.000 1.134 410 A CA -0.068 51.903 52.037 -0.110 0.000 0.827 410 A CB 0.579 19.532 19.000 -0.078 0.000 1.136 410 A HN 1.537 nan 8.150 nan 0.000 0.493 411 G N -0.456 108.352 108.800 0.015 0.000 2.764 411 G HA2 0.341 4.301 3.960 -0.001 0.000 0.264 411 G HA3 0.341 4.301 3.960 -0.001 0.000 0.264 411 G C 0.738 175.675 174.900 0.061 0.000 0.517 411 G CA 0.738 45.867 45.100 0.049 0.000 1.109 411 G HN 1.841 nan 8.290 nan 0.000 0.249 412 G N 1.211 110.030 108.800 0.032 0.000 3.686 412 G HA2 0.477 4.437 3.960 -0.001 0.000 0.132 412 G HA3 0.477 4.437 3.960 -0.001 0.000 0.132 412 G C 0.996 175.728 174.900 -0.279 0.000 1.319 412 G CA 0.853 45.908 45.100 -0.075 0.000 1.060 412 G HN 1.618 nan 8.290 nan 0.000 0.487 413 A N -0.363 122.097 122.820 -0.599 0.000 2.430 413 A HA 0.652 4.971 4.320 -0.001 0.000 0.243 413 A C 1.349 178.355 177.584 -0.964 0.000 1.254 413 A CA 0.087 51.599 52.037 -0.876 0.000 0.914 413 A CB -0.185 18.044 19.000 -1.285 0.000 0.998 413 A HN 0.260 nan 8.150 nan 0.000 0.515 414 F N 1.348 121.035 119.950 -0.439 0.000 2.446 414 F HA 0.098 4.624 4.527 -0.001 0.000 0.292 414 F C 1.190 176.891 175.800 -0.164 0.000 1.096 414 F CA 0.136 57.941 58.000 -0.325 0.000 1.438 414 F CB -0.139 38.710 39.000 -0.252 0.000 1.107 414 F HN 0.340 nan 8.300 nan 0.000 0.546 415 E N 0.788 120.999 120.200 0.018 0.000 2.568 415 E HA -0.014 4.336 4.350 -0.001 0.000 0.262 415 E C 1.378 177.984 176.600 0.009 0.000 0.961 415 E CA 0.466 56.871 56.400 0.009 0.000 0.945 415 E CB 0.401 30.091 29.700 -0.016 0.000 0.924 415 E HN 0.320 nan 8.360 nan 0.000 0.467 416 G N 2.578 111.392 108.800 0.024 0.000 2.464 416 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.217 416 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.217 416 G C 1.439 176.355 174.900 0.026 0.000 1.138 416 G CA 0.759 45.879 45.100 0.034 0.000 0.793 416 G HN 0.687 nan 8.290 nan 0.000 0.539 417 T N -0.878 113.684 114.554 0.014 0.000 3.077 417 T HA -0.002 4.348 4.350 -0.001 0.000 0.269 417 T C 2.092 176.802 174.700 0.016 0.000 1.146 417 T CA 0.494 62.602 62.100 0.012 0.000 1.091 417 T CB -0.165 68.705 68.868 0.002 0.000 0.892 417 T HN 0.283 nan 8.240 nan 0.000 0.533 418 R N -0.404 120.102 120.500 0.011 0.000 2.236 418 R HA 0.253 4.592 4.340 -0.001 0.000 0.208 418 R C 1.729 178.050 176.300 0.036 0.000 1.036 418 R CA 0.594 56.699 56.100 0.009 0.000 1.001 418 R CB -0.246 30.040 30.300 -0.024 0.000 0.896 418 R HN 0.297 nan 8.270 nan 0.000 0.464 419 M N -0.349 119.280 119.600 0.049 0.000 2.561 419 M HA 0.188 4.667 4.480 -0.001 0.000 0.238 419 M C 0.156 176.502 176.300 0.077 0.000 1.131 419 M CA 0.113 55.453 55.300 0.066 0.000 1.046 419 M CB 0.658 33.301 32.600 0.071 0.000 1.532 419 M HN 0.203 nan 8.290 nan 0.000 0.497 420 G N -0.011 108.835 108.800 0.077 0.000 2.541 420 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.686 420 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.686 420 G C -2.550 172.413 174.900 0.105 0.000 1.286 420 G CA -0.477 44.693 45.100 0.115 0.000 0.894 420 G HN 0.133 nan 8.290 nan 0.000 0.575 421 P HA 0.384 nan 4.420 nan 0.000 0.268 421 P C 0.876 178.085 177.300 -0.150 0.000 1.329 421 P CA 0.230 63.309 63.100 -0.036 0.000 0.899 421 P CB 0.091 31.718 31.700 -0.122 0.000 1.378 422 F N -0.499 119.458 119.950 0.011 0.000 2.289 422 F HA 0.144 4.671 4.527 -0.001 0.000 0.280 422 F C 1.424 177.232 175.800 0.014 0.000 1.045 422 F CA 0.686 58.693 58.000 0.012 0.000 1.236 422 F CB -0.149 38.857 39.000 0.011 0.000 1.116 422 F HN -0.365 nan 8.300 nan 0.000 0.550 444 W N 2.007 123.288 121.300 -0.032 0.000 2.785 444 W HA 0.508 5.167 4.660 -0.001 0.000 0.333 444 W C 0.390 176.880 176.519 -0.049 0.000 1.062 444 W CA -0.661 56.654 57.345 -0.049 0.000 1.233 444 W CB 1.973 31.404 29.460 -0.049 0.000 1.413 444 W HN 0.213 nan 8.180 nan 0.000 0.489 445 V N 4.357 124.059 119.914 -0.354 0.000 2.871 445 V HA -0.147 3.973 4.120 -0.001 0.000 0.256 445 V C 1.446 177.256 176.094 -0.472 0.000 1.082 445 V CA 1.748 63.844 62.300 -0.340 0.000 1.105 445 V CB -1.029 30.646 31.823 -0.247 0.000 0.713 445 V HN 0.626 nan 8.190 nan 0.000 0.473 446 V N -0.587 118.749 119.914 -0.964 0.000 3.608 446 V HA -0.026 4.094 4.120 -0.001 0.000 0.269 446 V C 2.274 178.062 176.094 -0.509 0.000 1.245 446 V CA 1.432 63.311 62.300 -0.702 0.000 1.138 446 V CB -0.744 30.585 31.823 -0.824 0.000 0.841 446 V HN 0.597 nan 8.190 nan 0.000 0.451 447 T N -0.476 113.823 114.554 -0.425 0.000 2.897 447 T HA -0.200 4.150 4.350 -0.001 0.000 0.271 447 T C 1.675 176.303 174.700 -0.121 0.000 1.084 447 T CA 1.900 63.919 62.100 -0.135 0.000 1.123 447 T CB -0.496 68.394 68.868 0.037 0.000 0.865 447 T HN 0.553 nan 8.240 nan 0.000 0.496 448 K N 1.549 121.859 120.400 -0.151 0.000 2.025 448 K HA -0.019 4.301 4.320 -0.001 0.000 0.207 448 K C 1.772 178.259 176.600 -0.190 0.000 1.049 448 K CA 1.433 57.643 56.287 -0.129 0.000 0.933 448 K CB -0.070 32.367 32.500 -0.106 0.000 0.714 448 K HN 0.338 nan 8.250 nan 0.000 0.438 449 D N 0.302 120.515 120.400 -0.312 0.000 2.328 449 D HA -0.008 4.632 4.640 -0.001 0.000 0.221 449 D C 1.276 177.164 176.300 -0.686 0.000 1.072 449 D CA 0.107 53.770 54.000 -0.561 0.000 0.850 449 D CB 0.357 40.668 40.800 -0.815 0.000 0.922 449 D HN 0.016 nan 8.370 nan 0.000 0.516 450 K N 1.408 121.609 120.400 -0.330 0.000 1.987 450 K HA -0.138 4.181 4.320 -0.001 0.000 0.216 450 K C 2.033 178.610 176.600 -0.039 0.000 1.051 450 K CA 1.262 57.477 56.287 -0.120 0.000 0.942 450 K CB -0.380 32.110 32.500 -0.017 0.000 0.722 450 K HN 0.131 nan 8.250 nan 0.000 0.444 451 S N 1.381 117.062 115.700 -0.032 0.000 2.380 451 S HA -0.232 4.237 4.470 -0.001 0.000 0.229 451 S C 2.063 176.688 174.600 0.042 0.000 1.043 451 S CA 1.881 60.096 58.200 0.025 0.000 1.038 451 S CB -0.357 62.849 63.200 0.009 0.000 0.872 451 S HN 0.369 nan 8.310 nan 0.000 0.456 452 K N 0.434 120.815 120.400 -0.030 0.000 1.978 452 K HA -0.177 4.142 4.320 -0.001 0.000 0.214 452 K C 2.017 178.732 176.600 0.191 0.000 1.049 452 K CA 1.681 57.982 56.287 0.025 0.000 0.939 452 K CB -0.452 31.999 32.500 -0.082 0.000 0.721 452 K HN 0.330 nan 8.250 nan 0.000 0.441 453 Y N 2.120 122.495 120.300 0.125 0.000 2.102 453 Y HA -0.266 4.283 4.550 -0.001 0.000 0.280 453 Y C 2.196 178.194 175.900 0.163 0.000 1.178 453 Y CA 1.450 59.669 58.100 0.198 0.000 1.146 453 Y CB -1.105 37.472 38.460 0.194 0.000 0.968 453 Y HN 0.304 nan 8.280 nan 0.000 0.504 454 D N -0.232 120.331 120.400 0.270 0.000 2.104 454 D HA -0.178 4.462 4.640 -0.001 0.000 0.194 454 D C 2.167 178.619 176.300 0.252 0.000 0.994 454 D CA 1.545 55.668 54.000 0.204 0.000 0.830 454 D CB -0.405 40.554 40.800 0.266 0.000 0.959 454 D HN 0.378 nan 8.370 nan 0.000 0.452 455 E N -0.077 120.252 120.200 0.215 0.000 2.068 455 E HA -0.215 4.134 4.350 -0.001 0.000 0.207 455 E C 2.040 178.711 176.600 0.117 0.000 1.032 455 E CA 1.236 57.737 56.400 0.168 0.000 0.839 455 E CB -0.239 29.537 29.700 0.125 0.000 0.758 455 E HN 0.175 nan 8.360 nan 0.000 0.457 456 I N -0.064 120.576 120.570 0.116 0.000 2.076 456 I HA -0.237 3.932 4.170 -0.001 0.000 0.237 456 I C 2.115 178.091 176.117 -0.234 0.000 1.059 456 I CA 1.521 62.831 61.300 0.017 0.000 1.317 456 I CB -0.631 37.451 38.000 0.137 0.000 1.037 456 I HN 0.225 nan 8.210 nan 0.000 0.398 457 F N 0.544 120.119 119.950 -0.626 0.000 2.085 457 F HA -0.367 4.160 4.527 -0.001 0.000 0.299 457 F C 2.291 177.657 175.800 -0.722 0.000 1.096 457 F CA 1.908 59.207 58.000 -1.168 0.000 1.227 457 F CB -0.584 37.613 39.000 -1.339 0.000 0.983 457 F HN 0.070 nan 8.300 nan 0.000 0.482 458 Y N -0.180 119.981 120.300 -0.232 0.000 2.457 458 Y HA -0.028 4.521 4.550 -0.001 0.000 0.292 458 Y C 2.156 177.916 175.900 -0.233 0.000 1.125 458 Y CA 1.373 59.328 58.100 -0.242 0.000 1.254 458 Y CB -1.153 37.292 38.460 -0.024 0.000 1.012 458 Y HN 0.148 nan 8.280 nan 0.000 0.555 459 N N -0.511 118.151 118.700 -0.063 0.000 2.512 459 N HA -0.084 4.655 4.740 -0.001 0.000 0.183 459 N C 0.763 176.182 175.510 -0.152 0.000 1.073 459 N CA 0.184 53.189 53.050 -0.074 0.000 0.911 459 N CB -0.081 38.391 38.487 -0.026 0.000 0.964 459 N HN 0.100 nan 8.380 nan 0.000 0.447 460 L N 0.502 121.542 121.223 -0.306 0.000 2.612 460 L HA 0.304 4.644 4.340 -0.001 0.000 0.230 460 L C 0.382 177.074 176.870 -0.298 0.000 1.140 460 L CA -0.129 54.517 54.840 -0.323 0.000 0.896 460 L CB -0.986 40.786 42.059 -0.478 0.000 1.065 460 L HN 0.035 nan 8.230 nan 0.000 0.447 461 A N -0.192 122.471 122.820 -0.262 0.000 2.183 461 A HA -0.132 4.187 4.320 -0.001 0.000 0.278 461 A C -2.092 175.352 177.584 -0.234 0.000 1.404 461 A CA -0.123 51.801 52.037 -0.187 0.000 0.737 461 A CB -1.891 17.044 19.000 -0.108 0.000 1.172 461 A HN 0.265 nan 8.150 nan 0.000 0.338 462 P HA 0.650 nan 4.420 nan 0.000 0.278 462 P C 1.179 178.418 177.300 -0.101 0.000 1.266 462 P CA 0.081 62.997 63.100 -0.305 0.000 0.807 462 P CB 0.855 32.188 31.700 -0.611 0.000 1.094 463 A N 1.535 124.334 122.820 -0.035 0.000 1.823 463 A HA -0.132 4.187 4.320 -0.001 0.000 0.214 463 A C 1.013 178.618 177.584 0.035 0.000 1.227 463 A CA 2.340 54.382 52.037 0.009 0.000 0.616 463 A CB -1.338 17.680 19.000 0.030 0.000 0.874 463 A HN 0.675 nan 8.150 nan 0.000 0.455 464 D N -4.146 116.296 120.400 0.070 0.000 2.636 464 D HA 0.395 5.034 4.640 -0.001 0.000 0.270 464 D C 0.541 176.929 176.300 0.147 0.000 1.430 464 D CA 0.891 54.943 54.000 0.088 0.000 0.796 464 D CB 0.013 40.850 40.800 0.061 0.000 1.117 464 D HN 1.036 nan 8.370 nan 0.000 0.480 465 G N 0.154 109.082 108.800 0.213 0.000 2.559 465 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.202 465 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.202 465 G C -0.217 174.887 174.900 0.340 0.000 0.992 465 G CA -0.682 44.611 45.100 0.321 0.000 0.764 465 G HN 0.239 nan 8.290 nan 0.000 0.525 466 K N 0.420 120.963 120.400 0.239 0.000 2.376 466 K HA 0.651 4.970 4.320 -0.001 0.000 0.257 466 K C -1.022 175.668 176.600 0.151 0.000 0.939 466 K CA -0.905 55.514 56.287 0.220 0.000 0.809 466 K CB 2.659 35.241 32.500 0.137 0.000 1.121 466 K HN 0.078 nan 8.250 nan 0.000 0.425 467 L N 2.865 124.207 121.223 0.198 0.000 2.281 467 L HA 0.222 4.561 4.340 -0.001 0.000 0.285 467 L C 0.224 177.179 176.870 0.142 0.000 1.074 467 L CA 0.291 55.162 54.840 0.051 0.000 0.817 467 L CB 1.298 43.369 42.059 0.021 0.000 1.168 467 L HN 0.721 nan 8.230 nan 0.000 0.434 468 S N 3.317 119.065 115.700 0.080 0.000 2.550 468 S HA 0.109 4.578 4.470 -0.001 0.000 0.285 468 S C 1.487 176.175 174.600 0.146 0.000 1.326 468 S CA 0.376 58.636 58.200 0.099 0.000 1.037 468 S CB 0.644 63.871 63.200 0.045 0.000 0.838 468 S HN 0.976 nan 8.310 nan 0.000 0.519 469 G N 2.182 111.055 108.800 0.122 0.000 2.418 469 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 469 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 469 G C 1.781 176.644 174.900 -0.063 0.000 1.158 469 G CA 1.004 46.111 45.100 0.012 0.000 0.771 469 G HN 1.087 nan 8.290 nan 0.000 0.545 470 S N 1.365 117.046 115.700 -0.032 0.000 2.356 470 S HA -0.122 4.347 4.470 -0.001 0.000 0.223 470 S C 2.179 176.795 174.600 0.027 0.000 1.032 470 S CA 1.565 59.749 58.200 -0.026 0.000 1.005 470 S CB -0.252 62.938 63.200 -0.017 0.000 0.867 470 S HN 0.396 nan 8.310 nan 0.000 0.449 471 K N 2.523 122.956 120.400 0.055 0.000 2.026 471 K HA 0.088 4.407 4.320 -0.001 0.000 0.208 471 K C 2.602 179.314 176.600 0.186 0.000 1.048 471 K CA 1.278 57.617 56.287 0.086 0.000 0.929 471 K CB -1.189 31.334 32.500 0.038 0.000 0.713 471 K HN 0.485 nan 8.250 nan 0.000 0.439 472 A N 2.512 125.471 122.820 0.232 0.000 1.892 472 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 472 A C 2.305 180.115 177.584 0.377 0.000 1.188 472 A CA 2.170 54.458 52.037 0.418 0.000 0.631 472 A CB -0.529 18.792 19.000 0.536 0.000 0.822 472 A HN 0.389 nan 8.150 nan 0.000 0.447 473 K N -0.658 119.835 120.400 0.155 0.000 1.985 473 K HA -0.172 4.147 4.320 -0.001 0.000 0.210 473 K C 2.225 178.885 176.600 0.099 0.000 1.047 473 K CA 2.195 58.521 56.287 0.065 0.000 0.932 473 K CB -0.511 31.950 32.500 -0.065 0.000 0.716 473 K HN 0.622 nan 8.250 nan 0.000 0.439 474 T N -1.042 113.575 114.554 0.105 0.000 2.699 474 T HA -0.240 4.109 4.350 -0.001 0.000 0.268 474 T C 1.615 176.410 174.700 0.158 0.000 1.036 474 T CA 1.460 63.620 62.100 0.100 0.000 1.147 474 T CB -0.845 68.076 68.868 0.088 0.000 0.862 474 T HN 0.602 nan 8.240 nan 0.000 0.446 475 W N 1.839 123.173 121.300 0.056 0.000 2.353 475 W HA -0.009 4.651 4.660 -0.001 0.000 0.319 475 W C 2.354 178.907 176.519 0.058 0.000 1.207 475 W CA 1.147 58.538 57.345 0.077 0.000 1.291 475 W CB -0.510 29.037 29.460 0.145 0.000 1.159 475 W HN 0.134 nan 8.180 nan 0.000 0.478 476 M N -0.228 119.335 119.600 -0.062 0.000 2.073 476 M HA -0.279 4.200 4.480 -0.001 0.000 0.258 476 M C 2.069 178.200 176.300 -0.281 0.000 1.070 476 M CA 2.264 57.346 55.300 -0.362 0.000 1.103 476 M CB -1.340 31.234 32.600 -0.043 0.000 1.321 476 M HN -0.033 nan 8.290 nan 0.000 0.405 477 V N 0.410 120.250 119.914 -0.123 0.000 2.568 477 V HA -0.197 3.922 4.120 -0.001 0.000 0.253 477 V C 2.325 178.346 176.094 -0.120 0.000 1.072 477 V CA 2.233 64.474 62.300 -0.099 0.000 1.084 477 V CB -1.040 30.753 31.823 -0.049 0.000 0.676 477 V HN 0.670 nan 8.190 nan 0.000 0.469 478 G N -0.479 108.239 108.800 -0.137 0.000 2.450 478 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.220 478 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.220 478 G C 1.545 176.327 174.900 -0.196 0.000 1.130 478 G CA 1.471 46.492 45.100 -0.131 0.000 0.760 478 G HN 0.635 nan 8.290 nan 0.000 0.557 479 T N -1.454 112.902 114.554 -0.330 0.000 3.228 479 T HA 0.079 4.428 4.350 -0.001 0.000 0.261 479 T C 1.202 175.798 174.700 -0.172 0.000 1.171 479 T CA 0.924 62.849 62.100 -0.292 0.000 1.056 479 T CB -0.522 68.106 68.868 -0.400 0.000 0.938 479 T HN 0.449 nan 8.240 nan 0.000 0.539 480 K N 0.039 120.360 120.400 -0.131 0.000 2.975 480 K HA -0.134 4.186 4.320 -0.001 0.000 0.257 480 K C -0.154 176.397 176.600 -0.082 0.000 1.005 480 K CA 0.318 56.553 56.287 -0.087 0.000 0.738 480 K CB -1.883 30.578 32.500 -0.066 0.000 1.236 480 K HN 0.550 nan 8.250 nan 0.000 0.483 481 L N 1.018 122.182 121.223 -0.099 0.000 2.379 481 L HA 0.388 4.727 4.340 -0.001 0.000 0.269 481 L C -1.480 175.354 176.870 -0.061 0.000 1.084 481 L CA -2.214 52.579 54.840 -0.079 0.000 0.802 481 L CB 0.572 42.575 42.059 -0.093 0.000 1.175 481 L HN -0.075 nan 8.230 nan 0.000 0.448 482 P HA 0.005 nan 4.420 nan 0.000 0.269 482 P C 0.055 177.337 177.300 -0.030 0.000 1.209 482 P CA -0.123 62.957 63.100 -0.034 0.000 0.776 482 P CB 0.702 32.386 31.700 -0.026 0.000 0.876 483 N N 1.273 119.957 118.700 -0.027 0.000 2.021 483 N HA -0.232 4.508 4.740 -0.001 0.000 0.198 483 N C 1.838 177.341 175.510 -0.011 0.000 1.041 483 N CA 2.187 55.223 53.050 -0.023 0.000 0.862 483 N CB -0.232 38.241 38.487 -0.023 0.000 1.048 483 N HN 0.508 nan 8.380 nan 0.000 0.427 484 S N 0.440 116.136 115.700 -0.007 0.000 2.389 484 S HA -0.180 4.289 4.470 -0.001 0.000 0.229 484 S C 2.188 176.794 174.600 0.011 0.000 1.048 484 S CA 2.289 60.490 58.200 0.003 0.000 1.117 484 S CB -0.881 62.319 63.200 -0.000 0.000 1.020 484 S HN 0.232 nan 8.310 nan 0.000 0.430 485 V N 2.285 122.200 119.914 0.002 0.000 2.231 485 V HA -0.226 3.893 4.120 -0.001 0.000 0.250 485 V C 2.623 178.727 176.094 0.016 0.000 1.058 485 V CA 2.390 64.693 62.300 0.005 0.000 1.022 485 V CB -0.923 30.893 31.823 -0.011 0.000 0.640 485 V HN 0.551 nan 8.190 nan 0.000 0.445 486 L N 0.154 121.380 121.223 0.005 0.000 2.013 486 L HA -0.175 4.164 4.340 -0.001 0.000 0.212 486 L C 2.660 179.584 176.870 0.090 0.000 1.073 486 L CA 1.963 56.817 54.840 0.024 0.000 0.753 486 L CB -1.274 40.780 42.059 -0.008 0.000 0.890 486 L HN 0.508 nan 8.230 nan 0.000 0.432 487 G N -0.604 108.239 108.800 0.071 0.000 2.446 487 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.217 487 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.217 487 G C 1.725 176.721 174.900 0.160 0.000 1.168 487 G CA 0.827 45.992 45.100 0.108 0.000 0.771 487 G HN 0.228 nan 8.290 nan 0.000 0.551 488 R N -0.107 120.452 120.500 0.098 0.000 2.083 488 R HA 0.028 4.367 4.340 -0.001 0.000 0.237 488 R C 2.635 178.989 176.300 0.091 0.000 1.137 488 R CA 1.265 57.416 56.100 0.084 0.000 0.951 488 R CB -0.348 29.982 30.300 0.048 0.000 0.851 488 R HN 0.443 nan 8.270 nan 0.000 0.434 489 I N -0.427 120.196 120.570 0.088 0.000 2.179 489 I HA -0.340 3.829 4.170 -0.001 0.000 0.242 489 I C 2.304 178.477 176.117 0.094 0.000 1.088 489 I CA 1.283 62.624 61.300 0.069 0.000 1.357 489 I CB -0.523 37.506 38.000 0.048 0.000 1.051 489 I HN 0.473 nan 8.210 nan 0.000 0.409 490 W N 2.831 124.137 121.300 0.010 0.000 2.315 490 W HA -0.336 4.324 4.660 -0.001 0.000 0.323 490 W C 2.541 179.076 176.519 0.026 0.000 1.233 490 W CA 2.119 59.480 57.345 0.027 0.000 1.267 490 W CB -0.395 29.084 29.460 0.031 0.000 1.160 490 W HN 0.087 nan 8.180 nan 0.000 0.474 491 K N 0.156 120.665 120.400 0.182 0.000 2.113 491 K HA -0.251 4.068 4.320 -0.001 0.000 0.208 491 K C 2.140 178.698 176.600 -0.070 0.000 1.047 491 K CA 1.872 58.203 56.287 0.074 0.000 0.928 491 K CB -0.533 32.050 32.500 0.137 0.000 0.716 491 K HN 0.066 nan 8.250 nan 0.000 0.446 492 L N 0.475 121.668 121.223 -0.049 0.000 2.093 492 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 492 L C 2.116 178.913 176.870 -0.122 0.000 1.085 492 L CA 1.600 56.404 54.840 -0.060 0.000 0.755 492 L CB -0.488 41.560 42.059 -0.018 0.000 0.904 492 L HN 0.124 nan 8.230 nan 0.000 0.435 493 S N -1.631 113.944 115.700 -0.208 0.000 2.421 493 S HA -0.045 4.425 4.470 -0.001 0.000 0.224 493 S C 0.738 175.128 174.600 -0.350 0.000 1.035 493 S CA 0.098 58.154 58.200 -0.240 0.000 0.953 493 S CB -0.139 62.924 63.200 -0.228 0.000 0.810 493 S HN 0.369 nan 8.310 nan 0.000 0.497 494 D N 2.202 122.249 120.400 -0.588 0.000 2.489 494 D HA 0.137 4.777 4.640 -0.001 0.000 0.237 494 D C 0.934 177.082 176.300 -0.253 0.000 1.212 494 D CA -0.011 53.672 54.000 -0.529 0.000 1.058 494 D CB 0.152 40.502 40.800 -0.750 0.000 1.098 494 D HN -0.067 nan 8.370 nan 0.000 0.509 495 V N 2.584 122.389 119.914 -0.181 0.000 2.323 495 V HA -0.199 3.920 4.120 -0.001 0.000 0.244 495 V C 1.903 177.946 176.094 -0.086 0.000 1.041 495 V CA 1.921 64.150 62.300 -0.119 0.000 1.025 495 V CB -0.385 31.371 31.823 -0.111 0.000 0.656 495 V HN 0.587 nan 8.190 nan 0.000 0.451 496 D N 1.223 121.578 120.400 -0.075 0.000 2.363 496 D HA -0.165 4.475 4.640 -0.001 0.000 0.226 496 D C 1.232 177.518 176.300 -0.024 0.000 1.020 496 D CA 0.204 54.177 54.000 -0.044 0.000 0.892 496 D CB -0.729 40.051 40.800 -0.035 0.000 0.900 496 D HN 0.650 nan 8.370 nan 0.000 0.531 497 R N 0.877 121.355 120.500 -0.037 0.000 3.092 497 R HA -0.204 4.135 4.340 -0.001 0.000 0.245 497 R C -0.763 175.569 176.300 0.054 0.000 0.881 497 R CA 1.288 57.391 56.100 0.003 0.000 0.614 497 R CB -2.463 27.844 30.300 0.011 0.000 1.128 497 R HN 0.329 nan 8.270 nan 0.000 0.483 498 D N -0.318 120.122 120.400 0.067 0.000 2.388 498 D HA 0.149 4.788 4.640 -0.001 0.000 0.208 498 D C 1.424 177.816 176.300 0.154 0.000 1.035 498 D CA 0.752 54.806 54.000 0.090 0.000 0.875 498 D CB 0.210 41.049 40.800 0.066 0.000 0.984 498 D HN 0.685 nan 8.370 nan 0.000 0.508 499 G N -0.136 108.814 108.800 0.249 0.000 2.229 499 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.189 499 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.189 499 G C 0.136 175.335 174.900 0.497 0.000 1.000 499 G CA 0.123 45.474 45.100 0.417 0.000 0.663 499 G HN 0.277 nan 8.290 nan 0.000 0.493 500 M N -0.041 119.758 119.600 0.332 0.000 2.849 500 M HA 0.796 5.276 4.480 -0.001 0.000 0.299 500 M C -0.339 176.103 176.300 0.237 0.000 1.223 500 M CA -0.821 54.673 55.300 0.324 0.000 0.856 500 M CB 1.795 34.513 32.600 0.196 0.000 1.680 500 M HN -0.029 nan 8.290 nan 0.000 0.506 501 L N 1.356 122.732 121.223 0.254 0.000 2.372 501 L HA 0.380 4.720 4.340 -0.001 0.000 0.274 501 L C -0.962 176.036 176.870 0.214 0.000 0.988 501 L CA -0.909 54.033 54.840 0.171 0.000 0.833 501 L CB 1.539 43.750 42.059 0.254 0.000 1.236 501 L HN 0.693 nan 8.230 nan 0.000 0.410 502 D N 0.498 120.929 120.400 0.051 0.000 2.433 502 D HA 0.050 4.689 4.640 -0.001 0.000 0.255 502 D C 0.907 176.931 176.300 -0.462 0.000 1.226 502 D CA -0.439 53.518 54.000 -0.073 0.000 1.015 502 D CB 0.661 41.432 40.800 -0.048 0.000 1.091 502 D HN 0.597 nan 8.370 nan 0.000 0.527 503 D N 0.084 119.984 120.400 -0.833 0.000 2.106 503 D HA -0.303 4.336 4.640 -0.001 0.000 0.191 503 D C 1.255 177.346 176.300 -0.348 0.000 0.997 503 D CA 1.646 55.008 54.000 -1.064 0.000 0.834 503 D CB -0.497 39.910 40.800 -0.655 0.000 0.956 503 D HN 0.714 nan 8.370 nan 0.000 0.448 504 E N 0.858 120.981 120.200 -0.128 0.000 2.017 504 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 504 E C 2.326 178.997 176.600 0.118 0.000 0.997 504 E CA 1.042 57.497 56.400 0.091 0.000 0.804 504 E CB -0.268 29.442 29.700 0.017 0.000 0.757 504 E HN 0.473 nan 8.360 nan 0.000 0.448 505 E N 0.210 120.412 120.200 0.003 0.000 2.147 505 E HA -0.223 4.127 4.350 -0.001 0.000 0.199 505 E C 1.837 178.444 176.600 0.013 0.000 1.005 505 E CA 1.166 57.559 56.400 -0.013 0.000 0.810 505 E CB -0.222 29.432 29.700 -0.077 0.000 0.736 505 E HN 0.181 nan 8.360 nan 0.000 0.460 506 F N 0.973 120.839 119.950 -0.139 0.000 2.113 506 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 506 F C 2.222 177.965 175.800 -0.096 0.000 1.103 506 F CA 1.348 59.279 58.000 -0.115 0.000 1.248 506 F CB -0.342 38.537 39.000 -0.202 0.000 0.999 506 F HN -0.045 nan 8.300 nan 0.000 0.475 507 A N 0.897 123.803 122.820 0.143 0.000 1.917 507 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 507 A C 2.371 179.939 177.584 -0.028 0.000 1.182 507 A CA 1.882 53.995 52.037 0.127 0.000 0.633 507 A CB -1.321 17.876 19.000 0.327 0.000 0.819 507 A HN 0.578 nan 8.150 nan 0.000 0.448 508 L N -0.806 120.458 121.223 0.068 0.000 1.970 508 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 508 L C 3.002 179.854 176.870 -0.029 0.000 1.071 508 L CA 1.687 56.566 54.840 0.066 0.000 0.751 508 L CB -0.646 41.497 42.059 0.141 0.000 0.889 508 L HN 0.458 nan 8.230 nan 0.000 0.432 509 A N -0.499 122.255 122.820 -0.110 0.000 1.869 509 A HA -0.298 4.022 4.320 -0.001 0.000 0.218 509 A C 2.354 179.834 177.584 -0.174 0.000 1.203 509 A CA 2.581 54.538 52.037 -0.133 0.000 0.638 509 A CB -1.086 17.823 19.000 -0.152 0.000 0.831 509 A HN 0.573 nan 8.150 nan 0.000 0.450 510 S N -1.284 114.200 115.700 -0.359 0.000 2.359 510 S HA -0.282 4.187 4.470 -0.001 0.000 0.223 510 S C 1.857 176.266 174.600 -0.320 0.000 1.039 510 S CA 1.857 59.797 58.200 -0.433 0.000 1.042 510 S CB -0.722 61.850 63.200 -1.046 0.000 0.915 510 S HN 0.866 nan 8.310 nan 0.000 0.439 511 H N 1.388 120.256 119.070 -0.337 0.000 2.289 511 H HA -0.082 4.473 4.556 -0.001 0.000 0.294 511 H C 1.946 177.223 175.328 -0.085 0.000 1.095 511 H CA 1.938 57.930 56.048 -0.095 0.000 1.256 511 H CB -0.410 29.319 29.762 -0.055 0.000 1.359 511 H HN 0.259 nan 8.280 nan 0.000 0.487 512 L N -0.118 121.146 121.223 0.068 0.000 2.042 512 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 512 L C 2.611 179.443 176.870 -0.063 0.000 1.076 512 L CA 1.376 56.230 54.840 0.023 0.000 0.749 512 L CB -0.396 41.684 42.059 0.037 0.000 0.893 512 L HN 0.414 nan 8.230 nan 0.000 0.432 513 I N -0.386 120.123 120.570 -0.101 0.000 2.127 513 I HA -0.307 3.862 4.170 -0.001 0.000 0.241 513 I C 2.531 178.580 176.117 -0.114 0.000 1.075 513 I CA 1.494 62.717 61.300 -0.129 0.000 1.334 513 I CB -0.500 37.374 38.000 -0.210 0.000 1.040 513 I HN 0.328 nan 8.210 nan 0.000 0.405 514 E N 1.123 121.249 120.200 -0.122 0.000 2.070 514 E HA -0.276 4.074 4.350 -0.001 0.000 0.197 514 E C 2.346 178.887 176.600 -0.098 0.000 1.004 514 E CA 1.505 57.847 56.400 -0.096 0.000 0.805 514 E CB -0.282 29.366 29.700 -0.087 0.000 0.744 514 E HN 0.544 nan 8.360 nan 0.000 0.451 515 A N 2.073 124.794 122.820 -0.164 0.000 1.869 515 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 515 A C 2.144 179.745 177.584 0.028 0.000 1.203 515 A CA 1.727 53.696 52.037 -0.113 0.000 0.638 515 A CB -0.458 18.439 19.000 -0.171 0.000 0.831 515 A HN -0.009 nan 8.150 nan 0.000 0.450 516 K N -0.295 120.106 120.400 0.001 0.000 2.097 516 K HA -0.050 4.270 4.320 -0.001 0.000 0.206 516 K C 1.962 178.562 176.600 -0.000 0.000 1.049 516 K CA 1.316 57.613 56.287 0.017 0.000 0.933 516 K CB -0.615 31.878 32.500 -0.011 0.000 0.717 516 K HN 0.587 nan 8.250 nan 0.000 0.442 517 L N 0.412 121.621 121.223 -0.023 0.000 2.042 517 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 517 L C 2.167 179.030 176.870 -0.011 0.000 1.076 517 L CA 1.299 56.122 54.840 -0.028 0.000 0.749 517 L CB -0.348 41.687 42.059 -0.040 0.000 0.893 517 L HN 0.119 nan 8.230 nan 0.000 0.432 518 E N 0.108 120.317 120.200 0.016 0.000 2.265 518 E HA -0.073 4.277 4.350 -0.001 0.000 0.196 518 E C 0.876 177.462 176.600 -0.023 0.000 0.996 518 E CA 0.829 57.247 56.400 0.030 0.000 0.832 518 E CB -0.032 29.739 29.700 0.117 0.000 0.756 518 E HN 0.494 nan 8.360 nan 0.000 0.491 519 G N 0.686 109.468 108.800 -0.030 0.000 2.919 519 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.225 519 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.225 519 G C -0.878 173.884 174.900 -0.229 0.000 1.117 519 G CA -0.423 44.613 45.100 -0.107 0.000 1.033 519 G HN 0.229 nan 8.290 nan 0.000 0.532 520 H N -0.249 118.806 119.070 -0.025 0.000 2.744 520 H HA 0.549 5.105 4.556 -0.001 0.000 0.339 520 H C 0.931 176.251 175.328 -0.013 0.000 1.004 520 H CA 0.076 56.113 56.048 -0.018 0.000 1.257 520 H CB 1.582 31.332 29.762 -0.020 0.000 1.552 520 H HN 0.685 nan 8.280 nan 0.000 0.522 521 G N 2.928 111.788 108.800 0.100 0.000 2.391 521 G HA2 0.090 4.049 3.960 -0.001 0.000 0.234 521 G HA3 0.090 4.049 3.960 -0.001 0.000 0.234 521 G C 0.088 175.036 174.900 0.079 0.000 1.284 521 G CA -0.358 44.782 45.100 0.066 0.000 0.873 521 G HN 0.284 nan 8.290 nan 0.000 0.549 522 L N 3.290 124.543 121.223 0.050 0.000 2.395 522 L HA 0.397 4.737 4.340 -0.001 0.000 0.269 522 L C -1.309 175.582 176.870 0.035 0.000 1.133 522 L CA -1.580 53.285 54.840 0.042 0.000 0.812 522 L CB 0.728 42.806 42.059 0.031 0.000 1.125 522 L HN 0.391 nan 8.230 nan 0.000 0.452 523 P HA 0.135 nan 4.420 nan 0.000 0.272 523 P C 0.411 177.723 177.300 0.020 0.000 1.254 523 P CA -0.204 62.910 63.100 0.025 0.000 0.795 523 P CB 0.482 32.196 31.700 0.023 0.000 1.022 524 T N -2.242 112.320 114.554 0.014 0.000 2.990 524 T HA 0.162 4.512 4.350 -0.001 0.000 0.250 524 T C 0.114 174.820 174.700 0.009 0.000 1.041 524 T CA 0.123 62.230 62.100 0.012 0.000 1.010 524 T CB -0.560 68.312 68.868 0.008 0.000 1.003 524 T HN 0.373 nan 8.240 nan 0.000 0.499 525 N N 1.355 120.059 118.700 0.007 0.000 2.430 525 N HA 0.370 5.110 4.740 -0.001 0.000 0.290 525 N C -1.578 173.933 175.510 0.003 0.000 1.063 525 N CA -0.709 52.343 53.050 0.002 0.000 0.883 525 N CB 1.737 40.223 38.487 -0.001 0.000 1.465 525 N HN 0.064 nan 8.380 nan 0.000 0.493 526 L N 4.340 125.562 121.223 -0.002 0.000 2.654 526 L HA 0.190 4.529 4.340 -0.001 0.000 0.271 526 L C -1.801 175.068 176.870 -0.002 0.000 1.169 526 L CA -0.462 54.378 54.840 -0.000 0.000 0.947 526 L CB -0.423 41.629 42.059 -0.012 0.000 1.232 526 L HN 0.521 nan 8.230 nan 0.000 0.486 527 P HA 0.175 nan 4.420 nan 0.000 0.276 527 P C 0.507 177.808 177.300 0.002 0.000 1.244 527 P CA -0.636 62.467 63.100 0.005 0.000 0.801 527 P CB 0.821 32.529 31.700 0.013 0.000 1.006 528 R N 2.292 122.787 120.500 -0.008 0.000 2.113 528 R HA -0.213 4.126 4.340 -0.001 0.000 0.244 528 R C 2.197 178.488 176.300 -0.015 0.000 1.142 528 R CA 2.175 58.261 56.100 -0.024 0.000 0.953 528 R CB -0.261 30.024 30.300 -0.025 0.000 0.860 528 R HN 0.519 nan 8.270 nan 0.000 0.438 529 R N 0.036 120.548 120.500 0.021 0.000 2.249 529 R HA -0.106 4.234 4.340 -0.001 0.000 0.230 529 R C 1.882 178.283 176.300 0.168 0.000 1.121 529 R CA 1.325 57.466 56.100 0.069 0.000 0.997 529 R CB -0.347 29.990 30.300 0.063 0.000 0.867 529 R HN 0.331 nan 8.270 nan 0.000 0.465 530 L N 1.082 122.383 121.223 0.131 0.000 2.513 530 L HA 0.183 4.523 4.340 -0.001 0.000 0.222 530 L C 0.193 177.206 176.870 0.238 0.000 1.096 530 L CA -0.267 54.724 54.840 0.252 0.000 0.857 530 L CB 0.673 42.795 42.059 0.105 0.000 1.026 530 L HN -0.045 nan 8.230 nan 0.000 0.469 531 V N 2.164 122.064 119.914 -0.023 0.000 2.540 531 V HA 0.027 4.147 4.120 -0.001 0.000 0.297 531 V C -1.913 173.841 176.094 -0.566 0.000 1.024 531 V CA -1.130 61.062 62.300 -0.180 0.000 1.105 531 V CB -0.132 31.592 31.823 -0.165 0.000 0.938 531 V HN 0.050 nan 8.190 nan 0.000 0.482 532 P HA 0.022 nan 4.420 nan 0.000 0.264 532 P C -1.986 174.795 177.300 -0.865 0.000 1.173 532 P CA -0.772 61.533 63.100 -1.325 0.000 0.761 532 P CB -0.077 31.212 31.700 -0.686 0.000 0.794 533 P HA -0.113 nan 4.420 nan 0.000 0.222 533 P C -0.089 177.044 177.300 -0.279 0.000 1.142 533 P CA 1.429 64.264 63.100 -0.440 0.000 0.788 533 P CB -0.189 31.329 31.700 -0.303 0.000 0.767 534 S N 0.407 115.945 115.700 -0.270 0.000 3.900 534 S HA 0.085 4.554 4.470 -0.001 0.000 0.248 534 S C 1.116 175.608 174.600 -0.179 0.000 1.310 534 S CA -0.153 57.940 58.200 -0.179 0.000 0.915 534 S CB -0.526 62.587 63.200 -0.145 0.000 1.588 534 S HN 0.372 nan 8.310 nan 0.000 0.472 535 K N 1.213 121.514 120.400 -0.164 0.000 2.313 535 K HA 0.381 4.700 4.320 -0.001 0.000 0.215 535 K C 0.463 177.002 176.600 -0.102 0.000 1.109 535 K CA -0.401 55.794 56.287 -0.152 0.000 0.895 535 K CB 0.515 32.907 32.500 -0.179 0.000 1.234 535 K HN 0.111 nan 8.250 nan 0.000 0.463 536 R N 0.975 121.424 120.500 -0.085 0.000 3.070 536 R HA 0.216 4.556 4.340 -0.001 0.000 0.249 536 R C -1.456 174.814 176.300 -0.050 0.000 1.124 536 R CA -0.535 55.528 56.100 -0.061 0.000 1.111 536 R CB 1.646 31.913 30.300 -0.055 0.000 1.268 536 R HN 0.108 nan 8.270 nan 0.000 0.466 537 R N 2.239 122.715 120.500 -0.040 0.000 2.679 537 R HA 0.243 4.582 4.340 -0.001 0.000 0.269 537 R C 0.041 176.325 176.300 -0.026 0.000 1.076 537 R CA 0.242 56.323 56.100 -0.032 0.000 1.160 537 R CB 0.896 31.180 30.300 -0.027 0.000 1.054 537 R HN 0.827 nan 8.270 nan 0.000 0.507 538 Q N 0.000 119.787 119.800 -0.022 0.000 2.315 538 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 538 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 538 Q CB 0.000 28.727 28.738 -0.018 0.000 1.108 538 Q HN 0.000 nan 8.270 nan 0.000 0.481