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 2zxe_1_A DATA FIRST_RESID 32 DATA SEQUENCE LDELKKEVSM DDHKLSLDEL HNKYGTDLTR GLTNARAKEI LARDGPNSLT DATA SEQUENCE PPPTTPEWIK FCRQLFGGFS ILLWIGAILC FLAYGIQAAT EDEPANDNLY DATA SEQUENCE LGVVLSTVVI VTGCFSYYQE AKSSRIMDSF KNMVPQQALV IRDGEKSTIN DATA SEQUENCE AEFVVAGDLV EVKGGDRIPA DLRIISAHGC KVDNSSLTGE SEPQTRSPEF DATA SEQUENCE SSENPLETRN IAFFSTNCVE GTARGVVVYT GDRTVMGRIA TLASGLEVGR DATA SEQUENCE TPIAIEIEHF IHIITGVAVF LGVSFFILSL ILGYSWLEAV IFLIGIIVAN DATA SEQUENCE VPEGLLATVT VCLTLTAKRM ARKNCLVKNL EAVETLGSTS TICSDKTGTL DATA SEQUENCE TQNRMTVAHM WFDNQIHEAD TTENQSGAAF DKTSATWSAL SRIAALCNRA DATA SEQUENCE VFQAGQDNVP ILKRSVAGDA SESALLKCIE LCCGSVQGMR DRNPKIVEIP DATA SEQUENCE FNSTNKYQLS IHENEKSSES RYLLVMKGAP ERILDRCSTI LLNGAEEPLK DATA SEQUENCE EDMKEAFQNA YLELGGLGER VLGFCHFALP EDKYNEGYPF DADEPNFPTT DATA SEQUENCE DLCFVGLMAM IDPPRAAVPD AVGKCRSAGI KVIMVTGDHP ITAKAIAKGV DATA SEQUENCE GIISEGNETI EDIAARLNIP IGQVNPRDAK ACVVHGSDLK DLSTEVLDDI DATA SEQUENCE LHYHTEIVFA RTSPQQKLII VEGCQRQGAI VAVTGDGVND SPALKKADIG DATA SEQUENCE VAMGISGSDV SKQAADMILL DDNFASIVTG VEEGRLIFDN LKKSIAYTLT DATA SEQUENCE SNIPEITPFL VFIIGNVPLP LGTVTILCID LGTDMVPAIS LAYEQAESDI DATA SEQUENCE MKRQPRNPKT DKLVNERLIS MAYGQIGMIQ ALGGFFSYFV ILAENGFLPM DATA SEQUENCE DLIGKRVRWD DRWISDVEDS FGQQWTYEQR KIVEFTCHTS FFISIVVVQW DATA SEQUENCE ADLIICKTRR NSIFQQGMKN KILIFGLFEE TALAAFLSYC PGTDVALRMY DATA SEQUENCE PLKPSWWFCA FPYSLIIFLY DEMRRFIIRR SPGGWVEQET YY 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.854 176.870 -0.027 0.000 1.165 32 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 32 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 33 D N 0.523 120.906 120.400 -0.029 0.000 2.349 33 D HA 0.021 4.661 4.640 -0.000 0.000 0.214 33 D C 1.435 177.714 176.300 -0.035 0.000 1.063 33 D CA 0.271 54.250 54.000 -0.035 0.000 0.847 33 D CB 0.464 41.242 40.800 -0.037 0.000 0.933 33 D HN 0.180 nan 8.370 nan 0.000 0.513 34 E N 0.192 120.375 120.200 -0.029 0.000 2.153 34 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 34 E C 1.731 178.314 176.600 -0.028 0.000 0.988 34 E CA 0.268 56.651 56.400 -0.028 0.000 0.811 34 E CB -0.076 29.610 29.700 -0.023 0.000 0.746 34 E HN 0.204 nan 8.360 nan 0.000 0.466 35 L N 0.889 122.095 121.223 -0.028 0.000 2.083 35 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 35 L C 1.444 178.292 176.870 -0.037 0.000 1.083 35 L CA 1.770 56.593 54.840 -0.029 0.000 0.752 35 L CB -0.004 42.038 42.059 -0.028 0.000 0.899 35 L HN -0.050 nan 8.230 nan 0.000 0.433 36 K N -0.702 119.672 120.400 -0.044 0.000 2.366 36 K HA -0.045 4.275 4.320 -0.000 0.000 0.198 36 K C 1.629 178.198 176.600 -0.051 0.000 1.044 36 K CA 0.561 56.816 56.287 -0.054 0.000 0.973 36 K CB 0.031 32.493 32.500 -0.063 0.000 0.767 36 K HN 0.309 nan 8.250 nan 0.000 0.475 37 K N 1.195 121.568 120.400 -0.045 0.000 2.525 37 K HA 0.013 4.333 4.320 -0.000 0.000 0.192 37 K C 0.019 176.595 176.600 -0.041 0.000 1.029 37 K CA 0.464 56.724 56.287 -0.045 0.000 1.029 37 K CB 0.212 32.686 32.500 -0.044 0.000 0.814 37 K HN 0.241 nan 8.250 nan 0.000 0.503 38 E N 0.950 121.130 120.200 -0.034 0.000 2.250 38 E HA 0.145 4.495 4.350 -0.000 0.000 0.269 38 E C -0.350 176.237 176.600 -0.022 0.000 1.018 38 E CA -0.773 55.613 56.400 -0.024 0.000 0.873 38 E CB 1.752 31.442 29.700 -0.016 0.000 1.134 38 E HN -0.093 nan 8.360 nan 0.000 0.403 39 V N -0.021 119.887 119.914 -0.010 0.000 2.843 39 V HA 0.154 4.274 4.120 -0.000 0.000 0.305 39 V C 0.203 176.302 176.094 0.009 0.000 1.065 39 V CA -0.555 61.744 62.300 -0.002 0.000 1.116 39 V CB 1.116 32.947 31.823 0.013 0.000 0.968 39 V HN 0.504 nan 8.190 nan 0.000 0.487 40 S N 4.624 120.333 115.700 0.015 0.000 2.617 40 S HA 0.542 5.012 4.470 -0.000 0.000 0.269 40 S C -0.232 174.414 174.600 0.077 0.000 1.292 40 S CA -0.532 57.688 58.200 0.033 0.000 1.010 40 S CB 1.087 64.308 63.200 0.035 0.000 0.944 40 S HN 0.958 nan 8.310 nan 0.000 0.536 41 M N 2.103 121.766 119.600 0.104 0.000 2.436 41 M HA 0.464 4.944 4.480 -0.000 0.000 0.331 41 M C -1.516 174.922 176.300 0.230 0.000 1.135 41 M CA -0.304 55.084 55.300 0.146 0.000 0.987 41 M CB 1.179 33.850 32.600 0.119 0.000 1.687 41 M HN 0.590 nan 8.290 nan 0.000 0.445 42 D N 1.449 121.997 120.400 0.246 0.000 2.744 42 D HA 0.320 4.960 4.640 -0.000 0.000 0.304 42 D C -1.444 175.019 176.300 0.272 0.000 1.179 42 D CA -0.062 54.114 54.000 0.292 0.000 1.024 42 D CB 2.167 43.126 40.800 0.264 0.000 1.453 42 D HN 0.801 nan 8.370 nan 0.000 0.529 43 D N -1.435 119.111 120.400 0.244 0.000 2.945 43 D HA 0.042 4.682 4.640 -0.000 0.000 0.366 43 D C 0.849 177.225 176.300 0.127 0.000 1.352 43 D CA -0.322 53.754 54.000 0.127 0.000 0.810 43 D CB -0.133 40.697 40.800 0.049 0.000 1.170 43 D HN 0.325 nan 8.370 nan 0.000 0.461 44 H N -0.066 119.015 119.070 0.019 0.000 2.548 44 H HA 0.185 4.741 4.556 -0.000 0.000 0.265 44 H C 0.901 176.215 175.328 -0.025 0.000 0.969 44 H CA 0.062 56.132 56.048 0.036 0.000 1.155 44 H CB 0.207 30.041 29.762 0.121 0.000 1.394 44 H HN 0.006 nan 8.280 nan 0.000 0.570 45 K N 1.157 121.194 120.400 -0.606 0.000 2.305 45 K HA 0.171 4.491 4.320 -0.000 0.000 0.199 45 K C 1.085 177.470 176.600 -0.358 0.000 1.047 45 K CA -0.018 55.856 56.287 -0.688 0.000 0.976 45 K CB 0.338 32.434 32.500 -0.674 0.000 0.765 45 K HN 0.315 nan 8.250 nan 0.000 0.474 46 L N 2.023 123.122 121.223 -0.207 0.000 2.473 46 L HA 0.026 4.366 4.340 -0.000 0.000 0.268 46 L C 1.107 177.926 176.870 -0.086 0.000 1.215 46 L CA -0.315 54.449 54.840 -0.126 0.000 0.823 46 L CB 0.123 42.130 42.059 -0.088 0.000 1.099 46 L HN 0.029 nan 8.230 nan 0.000 0.483 47 S N 0.577 116.243 115.700 -0.056 0.000 2.624 47 S HA 0.223 4.693 4.470 -0.000 0.000 0.263 47 S C 0.987 175.584 174.600 -0.005 0.000 1.287 47 S CA -0.759 57.430 58.200 -0.018 0.000 0.990 47 S CB 1.049 64.246 63.200 -0.005 0.000 0.950 47 S HN 0.444 nan 8.310 nan 0.000 0.561 48 L N 1.220 122.459 121.223 0.026 0.000 1.989 48 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 48 L C 2.561 179.501 176.870 0.117 0.000 1.071 48 L CA 2.299 57.166 54.840 0.045 0.000 0.749 48 L CB -1.356 40.764 42.059 0.101 0.000 0.890 48 L HN 0.958 nan 8.230 nan 0.000 0.431 49 D N -0.401 120.095 120.400 0.160 0.000 2.116 49 D HA -0.280 4.360 4.640 -0.000 0.000 0.193 49 D C 2.162 178.533 176.300 0.119 0.000 0.998 49 D CA 1.664 55.774 54.000 0.184 0.000 0.836 49 D CB -0.056 40.797 40.800 0.088 0.000 0.951 49 D HN 0.466 nan 8.370 nan 0.000 0.449 50 E N -0.682 119.542 120.200 0.039 0.000 2.118 50 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 50 E C 2.304 178.884 176.600 -0.032 0.000 0.992 50 E CA 0.759 57.157 56.400 -0.005 0.000 0.804 50 E CB -0.337 29.344 29.700 -0.031 0.000 0.741 50 E HN 0.376 nan 8.360 nan 0.000 0.458 51 L N 0.627 121.817 121.223 -0.056 0.000 2.131 51 L HA -0.180 4.159 4.340 -0.000 0.000 0.210 51 L C 2.272 179.097 176.870 -0.076 0.000 1.092 51 L CA 1.348 56.135 54.840 -0.088 0.000 0.759 51 L CB -0.230 41.755 42.059 -0.124 0.000 0.903 51 L HN 0.277 nan 8.230 nan 0.000 0.435 52 H N -0.826 118.278 119.070 0.057 0.000 2.363 52 H HA -0.049 4.507 4.556 -0.000 0.000 0.301 52 H C 1.990 177.334 175.328 0.028 0.000 1.074 52 H CA 1.478 57.565 56.048 0.065 0.000 1.354 52 H CB -0.172 29.613 29.762 0.039 0.000 1.397 52 H HN 0.388 nan 8.280 nan 0.000 0.516 53 N N 1.046 119.805 118.700 0.098 0.000 2.104 53 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 53 N C 1.869 177.345 175.510 -0.057 0.000 1.024 53 N CA 0.908 53.969 53.050 0.019 0.000 0.853 53 N CB -0.174 38.309 38.487 -0.006 0.000 1.008 53 N HN 0.307 nan 8.380 nan 0.000 0.424 54 K N -0.769 119.536 120.400 -0.159 0.000 2.209 54 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 54 K C 0.309 176.609 176.600 -0.501 0.000 1.048 54 K CA 1.127 57.183 56.287 -0.385 0.000 0.940 54 K CB 0.033 32.182 32.500 -0.586 0.000 0.729 54 K HN 0.287 nan 8.250 nan 0.000 0.451 55 Y N -0.604 119.687 120.300 -0.016 0.000 2.612 55 Y HA 0.280 4.830 4.550 -0.000 0.000 0.250 55 Y C 0.610 176.522 175.900 0.020 0.000 1.175 55 Y CA -0.163 57.931 58.100 -0.009 0.000 1.205 55 Y CB 1.025 39.464 38.460 -0.035 0.000 1.201 55 Y HN 0.134 nan 8.280 nan 0.000 0.532 56 G N 1.991 110.866 108.800 0.124 0.000 2.372 56 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.297 56 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.297 56 G C 0.135 175.106 174.900 0.118 0.000 1.005 56 G CA 1.004 46.161 45.100 0.095 0.000 1.173 56 G HN 0.448 nan 8.290 nan 0.000 0.511 57 T N -1.257 113.401 114.554 0.173 0.000 2.906 57 T HA 0.591 4.941 4.350 -0.000 0.000 0.295 57 T C -1.216 173.534 174.700 0.084 0.000 1.075 57 T CA -0.376 61.839 62.100 0.191 0.000 1.005 57 T CB 2.304 71.357 68.868 0.308 0.000 1.136 57 T HN 0.132 nan 8.240 nan 0.000 0.498 58 D N 2.360 122.749 120.400 -0.018 0.000 2.217 58 D HA 0.244 4.884 4.640 -0.000 0.000 0.243 58 D C 0.999 177.132 176.300 -0.278 0.000 1.054 58 D CA -0.526 53.353 54.000 -0.202 0.000 0.838 58 D CB 1.834 42.577 40.800 -0.096 0.000 1.162 58 D HN 0.553 nan 8.370 nan 0.000 0.472 59 L N 3.343 124.207 121.223 -0.599 0.000 2.275 59 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 59 L C 1.848 178.679 176.870 -0.065 0.000 1.119 59 L CA 1.741 56.411 54.840 -0.282 0.000 0.790 59 L CB 0.117 42.027 42.059 -0.248 0.000 0.919 59 L HN 0.597 nan 8.230 nan 0.000 0.443 60 T N -5.623 108.880 114.554 -0.086 0.000 3.125 60 T HA 0.093 4.443 4.350 -0.000 0.000 0.252 60 T C 1.902 176.586 174.700 -0.026 0.000 0.981 60 T CA -0.458 61.619 62.100 -0.039 0.000 1.069 60 T CB -0.121 68.722 68.868 -0.041 0.000 1.091 60 T HN 0.038 nan 8.240 nan 0.000 0.460 61 R N 1.873 122.351 120.500 -0.037 0.000 2.173 61 R HA 0.424 4.764 4.340 -0.000 0.000 0.208 61 R C 1.684 177.978 176.300 -0.010 0.000 1.035 61 R CA 0.928 57.015 56.100 -0.022 0.000 1.004 61 R CB -0.885 29.400 30.300 -0.025 0.000 0.917 61 R HN 0.715 nan 8.270 nan 0.000 0.462 62 G N 1.024 109.818 108.800 -0.010 0.000 2.741 62 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.222 62 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.222 62 G C -0.609 174.298 174.900 0.012 0.000 1.364 62 G CA -0.628 44.480 45.100 0.012 0.000 0.866 62 G HN 0.106 nan 8.290 nan 0.000 0.555 63 L N 0.278 121.515 121.223 0.022 0.000 2.476 63 L HA 0.506 4.846 4.340 -0.000 0.000 0.264 63 L C 1.735 178.610 176.870 0.009 0.000 1.224 63 L CA 0.449 55.301 54.840 0.020 0.000 0.821 63 L CB 0.527 42.601 42.059 0.024 0.000 1.101 63 L HN 0.783 nan 8.230 nan 0.000 0.488 64 T N 1.783 116.340 114.554 0.006 0.000 2.910 64 T HA 0.118 4.468 4.350 -0.000 0.000 0.293 64 T C 1.381 176.078 174.700 -0.005 0.000 1.015 64 T CA -0.452 61.648 62.100 -0.000 0.000 1.094 64 T CB 0.435 69.302 68.868 -0.002 0.000 0.968 64 T HN 0.496 nan 8.240 nan 0.000 0.521 65 N N 2.034 120.729 118.700 -0.010 0.000 2.137 65 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 65 N C 1.996 177.490 175.510 -0.028 0.000 1.017 65 N CA 1.373 54.411 53.050 -0.020 0.000 0.859 65 N CB -0.371 38.103 38.487 -0.021 0.000 1.002 65 N HN 0.691 nan 8.380 nan 0.000 0.428 66 A N 1.643 124.450 122.820 -0.022 0.000 1.897 66 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 66 A C 2.269 179.842 177.584 -0.018 0.000 1.181 66 A CA 0.833 52.856 52.037 -0.023 0.000 0.620 66 A CB -0.150 18.840 19.000 -0.017 0.000 0.821 66 A HN 0.089 nan 8.150 nan 0.000 0.443 67 R N -0.222 120.273 120.500 -0.008 0.000 2.092 67 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 67 R C 2.405 178.705 176.300 0.001 0.000 1.119 67 R CA 1.330 57.430 56.100 0.001 0.000 0.970 67 R CB -1.028 29.278 30.300 0.010 0.000 0.864 67 R HN 0.524 nan 8.270 nan 0.000 0.440 68 A N 1.534 124.351 122.820 -0.005 0.000 1.877 68 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 68 A C 2.114 179.684 177.584 -0.024 0.000 1.186 68 A CA 1.449 53.482 52.037 -0.006 0.000 0.620 68 A CB -0.318 18.679 19.000 -0.006 0.000 0.822 68 A HN 0.217 nan 8.150 nan 0.000 0.443 69 K N -0.642 119.728 120.400 -0.049 0.000 2.097 69 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 69 K C 2.126 178.699 176.600 -0.045 0.000 1.049 69 K CA 1.432 57.674 56.287 -0.075 0.000 0.933 69 K CB -0.105 32.340 32.500 -0.091 0.000 0.717 69 K HN 0.729 nan 8.250 nan 0.000 0.442 70 E N 1.168 121.353 120.200 -0.026 0.000 2.051 70 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 70 E C 1.906 178.506 176.600 -0.001 0.000 0.991 70 E CA 1.133 57.526 56.400 -0.012 0.000 0.799 70 E CB -0.013 29.684 29.700 -0.005 0.000 0.748 70 E HN 0.242 nan 8.360 nan 0.000 0.449 71 I N 1.160 121.734 120.570 0.007 0.000 2.394 71 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 71 I C 2.556 178.685 176.117 0.020 0.000 1.136 71 I CA 0.469 61.781 61.300 0.020 0.000 1.425 71 I CB -0.186 37.832 38.000 0.030 0.000 1.079 71 I HN 0.286 nan 8.210 nan 0.000 0.425 72 L N 0.791 122.019 121.223 0.009 0.000 1.970 72 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 72 L C 2.802 179.681 176.870 0.016 0.000 1.071 72 L CA 1.996 56.846 54.840 0.017 0.000 0.751 72 L CB -0.411 41.642 42.059 -0.010 0.000 0.889 72 L HN 0.269 nan 8.230 nan 0.000 0.432 73 A N -0.486 122.335 122.820 0.001 0.000 1.972 73 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 73 A C 2.352 179.943 177.584 0.011 0.000 1.169 73 A CA 1.681 53.720 52.037 0.003 0.000 0.635 73 A CB -0.566 18.430 19.000 -0.007 0.000 0.810 73 A HN 0.469 nan 8.150 nan 0.000 0.446 74 R N -0.232 120.276 120.500 0.013 0.000 2.082 74 R HA -0.152 4.188 4.340 -0.000 0.000 0.228 74 R C 1.299 177.614 176.300 0.025 0.000 1.140 74 R CA 1.992 58.103 56.100 0.019 0.000 0.920 74 R CB -0.384 29.930 30.300 0.023 0.000 0.828 74 R HN 0.411 nan 8.270 nan 0.000 0.430 75 D N -0.716 119.703 120.400 0.031 0.000 2.234 75 D HA 0.127 4.767 4.640 -0.000 0.000 0.205 75 D C 0.886 177.203 176.300 0.028 0.000 0.962 75 D CA 1.236 55.257 54.000 0.036 0.000 0.855 75 D CB 0.077 40.904 40.800 0.046 0.000 0.951 75 D HN 0.576 nan 8.370 nan 0.000 0.500 76 G N 0.848 109.666 108.800 0.029 0.000 2.712 76 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.683 76 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.683 76 G C -2.711 172.212 174.900 0.038 0.000 1.320 76 G CA -1.039 44.079 45.100 0.030 0.000 0.847 76 G HN -0.019 nan 8.290 nan 0.000 0.553 77 P HA 0.226 nan 4.420 nan 0.000 0.269 77 P C 0.048 177.353 177.300 0.008 0.000 1.215 77 P CA -0.470 62.660 63.100 0.051 0.000 0.780 77 P CB 0.441 32.166 31.700 0.042 0.000 0.898 78 N N 1.563 120.264 118.700 0.002 0.000 2.971 78 N HA 0.093 4.833 4.740 -0.000 0.000 0.294 78 N C -1.089 174.368 175.510 -0.090 0.000 1.210 78 N CA 0.255 53.276 53.050 -0.049 0.000 1.157 78 N CB -0.874 37.592 38.487 -0.035 0.000 1.450 78 N HN 0.194 nan 8.380 nan 0.000 0.527 79 S N 0.542 116.186 115.700 -0.093 0.000 2.607 79 S HA 0.526 4.996 4.470 -0.000 0.000 0.273 79 S C -0.767 173.772 174.600 -0.101 0.000 1.148 79 S CA -0.868 57.276 58.200 -0.094 0.000 0.833 79 S CB 1.364 64.531 63.200 -0.054 0.000 1.130 79 S HN 0.206 nan 8.310 nan 0.000 0.470 80 L N 2.079 123.254 121.223 -0.079 0.000 2.307 80 L HA 0.585 4.925 4.340 -0.000 0.000 0.284 80 L C 0.117 176.968 176.870 -0.031 0.000 1.023 80 L CA -0.634 54.167 54.840 -0.065 0.000 0.810 80 L CB 1.737 43.771 42.059 -0.042 0.000 1.231 80 L HN 0.840 nan 8.230 nan 0.000 0.423 81 T N 0.262 114.796 114.554 -0.034 0.000 2.767 81 T HA 0.492 4.842 4.350 -0.000 0.000 0.284 81 T C -2.344 172.347 174.700 -0.014 0.000 0.973 81 T CA -1.920 60.169 62.100 -0.019 0.000 0.996 81 T CB 1.084 69.940 68.868 -0.020 0.000 0.927 81 T HN 0.275 nan 8.240 nan 0.000 0.456 82 P HA 0.256 nan 4.420 nan 0.000 0.268 82 P C -2.250 175.049 177.300 -0.001 0.000 1.205 82 P CA -1.165 61.938 63.100 0.006 0.000 0.771 82 P CB -0.358 31.353 31.700 0.018 0.000 0.858 83 P HA 0.188 nan 4.420 nan 0.000 0.272 83 P C -2.291 175.010 177.300 0.001 0.000 1.223 83 P CA -1.263 61.834 63.100 -0.006 0.000 0.784 83 P CB -0.925 30.770 31.700 -0.007 0.000 0.923 84 P HA 0.081 nan 4.420 nan 0.000 0.271 84 P C -0.100 177.206 177.300 0.009 0.000 1.226 84 P CA 0.164 63.265 63.100 0.002 0.000 0.765 84 P CB 0.123 31.821 31.700 -0.003 0.000 0.835 85 T N -0.181 114.382 114.554 0.016 0.000 2.927 85 T HA 0.375 4.725 4.350 -0.000 0.000 0.281 85 T C 0.166 174.886 174.700 0.033 0.000 0.998 85 T CA -0.657 61.460 62.100 0.028 0.000 1.019 85 T CB 0.403 69.293 68.868 0.036 0.000 1.061 85 T HN 0.245 nan 8.240 nan 0.000 0.518 86 T N 3.655 118.239 114.554 0.050 0.000 2.749 86 T HA 0.414 4.764 4.350 -0.000 0.000 0.295 86 T C -2.285 172.472 174.700 0.094 0.000 0.936 86 T CA -0.778 61.361 62.100 0.065 0.000 1.060 86 T CB 0.405 69.319 68.868 0.078 0.000 0.904 86 T HN 0.478 nan 8.240 nan 0.000 0.500 87 P HA 0.122 nan 4.420 nan 0.000 0.268 87 P C 0.956 178.401 177.300 0.243 0.000 1.208 87 P CA -0.318 62.860 63.100 0.130 0.000 0.777 87 P CB 0.672 32.388 31.700 0.027 0.000 0.875 88 E N 0.608 120.999 120.200 0.319 0.000 2.204 88 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 88 E C 1.649 178.432 176.600 0.306 0.000 0.990 88 E CA 1.271 57.867 56.400 0.326 0.000 0.821 88 E CB -0.503 29.370 29.700 0.288 0.000 0.750 88 E HN 0.547 nan 8.360 nan 0.000 0.477 89 W N 1.348 122.677 121.300 0.049 0.000 2.298 89 W HA -0.166 4.494 4.660 -0.000 0.000 0.328 89 W C 2.379 178.961 176.519 0.106 0.000 1.259 89 W CA 0.934 58.309 57.345 0.049 0.000 1.251 89 W CB -1.212 28.272 29.460 0.039 0.000 1.161 89 W HN 0.025 nan 8.180 nan 0.000 0.466 90 I N -0.012 120.778 120.570 0.366 0.000 2.361 90 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 90 I C 2.241 178.494 176.117 0.226 0.000 1.133 90 I CA 1.414 62.865 61.300 0.252 0.000 1.413 90 I CB -0.693 37.413 38.000 0.176 0.000 1.073 90 I HN 0.027 nan 8.210 nan 0.000 0.424 91 K N 0.326 120.875 120.400 0.248 0.000 2.097 91 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 91 K C 2.126 178.880 176.600 0.256 0.000 1.050 91 K CA 1.470 57.919 56.287 0.271 0.000 0.938 91 K CB -0.220 32.505 32.500 0.375 0.000 0.718 91 K HN 0.197 nan 8.250 nan 0.000 0.442 92 F N 1.169 121.092 119.950 -0.046 0.000 2.128 92 F HA -0.200 4.327 4.527 -0.000 0.000 0.295 92 F C 2.063 177.833 175.800 -0.051 0.000 1.100 92 F CA 1.196 59.056 58.000 -0.234 0.000 1.260 92 F CB -0.274 38.444 39.000 -0.470 0.000 1.009 92 F HN -0.039 nan 8.300 nan 0.000 0.476 93 C N 1.104 120.462 119.300 0.096 0.000 2.448 93 C HA -0.037 4.423 4.460 -0.000 0.000 0.280 93 C C 2.648 177.700 174.990 0.104 0.000 1.398 93 C CA 0.264 59.323 59.018 0.070 0.000 1.774 93 C CB -1.238 26.662 27.740 0.266 0.000 1.888 93 C HN 0.373 nan 8.230 nan 0.000 0.519 94 R N 0.907 121.490 120.500 0.138 0.000 2.189 94 R HA -0.075 4.265 4.340 -0.000 0.000 0.223 94 R C 2.079 178.435 176.300 0.092 0.000 1.092 94 R CA 0.972 57.175 56.100 0.173 0.000 0.989 94 R CB -0.309 30.077 30.300 0.143 0.000 0.876 94 R HN 0.637 nan 8.270 nan 0.000 0.457 95 Q N 0.231 120.007 119.800 -0.040 0.000 2.269 95 Q HA 0.051 4.391 4.340 -0.000 0.000 0.201 95 Q C 2.111 178.000 176.000 -0.186 0.000 0.946 95 Q CA 0.573 56.319 55.803 -0.096 0.000 0.877 95 Q CB -0.026 28.636 28.738 -0.126 0.000 0.963 95 Q HN 0.334 nan 8.270 nan 0.000 0.472 96 L N -0.142 120.865 121.223 -0.360 0.000 2.642 96 L HA -0.058 4.282 4.340 -0.000 0.000 0.236 96 L C 0.104 176.582 176.870 -0.653 0.000 1.169 96 L CA 0.534 55.048 54.840 -0.544 0.000 0.851 96 L CB -0.136 41.502 42.059 -0.703 0.000 0.968 96 L HN 0.035 nan 8.230 nan 0.000 0.453 97 F N -0.784 119.233 119.950 0.112 0.000 2.576 97 F HA 0.387 4.914 4.527 -0.000 0.000 0.365 97 F C 0.804 176.639 175.800 0.057 0.000 1.506 97 F CA -0.751 57.325 58.000 0.126 0.000 1.113 97 F CB 0.619 39.678 39.000 0.098 0.000 1.293 97 F HN -0.205 nan 8.300 nan 0.000 0.540 98 G N -0.317 108.551 108.800 0.113 0.000 4.160 98 G HA2 0.480 4.440 3.960 -0.000 0.000 0.341 98 G HA3 0.480 4.440 3.960 -0.000 0.000 0.341 98 G C 0.756 175.615 174.900 -0.068 0.000 1.510 98 G CA -0.000 45.108 45.100 0.014 0.000 1.011 98 G HN 0.747 nan 8.290 nan 0.000 0.491 99 G N 1.740 110.542 108.800 0.003 0.000 5.206 99 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.328 99 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.328 99 G C 1.249 176.218 174.900 0.115 0.000 1.382 99 G CA 0.941 46.027 45.100 -0.023 0.000 0.994 99 G HN 0.442 nan 8.290 nan 0.000 0.800 100 F N 1.950 121.903 119.950 0.004 0.000 2.134 100 F HA 0.068 4.595 4.527 -0.000 0.000 0.299 100 F C 3.126 178.892 175.800 -0.055 0.000 1.097 100 F CA 1.800 59.788 58.000 -0.020 0.000 1.264 100 F CB -1.169 37.812 39.000 -0.031 0.000 1.001 100 F HN 0.293 nan 8.300 nan 0.000 0.479 101 S N 0.241 116.006 115.700 0.109 0.000 2.382 101 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 101 S C 2.195 176.823 174.600 0.047 0.000 1.027 101 S CA 0.736 58.893 58.200 -0.071 0.000 0.991 101 S CB -0.276 62.850 63.200 -0.123 0.000 0.823 101 S HN 0.135 nan 8.310 nan 0.000 0.469 102 I N 1.601 122.304 120.570 0.221 0.000 2.179 102 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 102 I C 2.105 178.375 176.117 0.255 0.000 1.088 102 I CA 1.306 62.807 61.300 0.336 0.000 1.357 102 I CB -1.262 36.898 38.000 0.268 0.000 1.051 102 I HN 0.294 nan 8.210 nan 0.000 0.409 103 L N -0.172 121.155 121.223 0.173 0.000 2.093 103 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 103 L C 2.547 179.458 176.870 0.068 0.000 1.085 103 L CA 1.028 55.940 54.840 0.119 0.000 0.755 103 L CB -0.513 41.614 42.059 0.113 0.000 0.904 103 L HN 0.185 nan 8.230 nan 0.000 0.435 104 L N -2.004 119.223 121.223 0.007 0.000 2.201 104 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 104 L C 2.327 179.161 176.870 -0.060 0.000 1.105 104 L CA 1.338 56.117 54.840 -0.101 0.000 0.775 104 L CB -0.391 41.532 42.059 -0.226 0.000 0.913 104 L HN 0.369 nan 8.230 nan 0.000 0.440 105 W N 0.210 121.535 121.300 0.041 0.000 2.381 105 W HA -0.147 4.513 4.660 -0.000 0.000 0.301 105 W C 2.394 178.951 176.519 0.063 0.000 1.205 105 W CA 0.291 57.675 57.345 0.066 0.000 1.285 105 W CB -0.032 29.497 29.460 0.115 0.000 1.133 105 W HN -0.011 nan 8.180 nan 0.000 0.521 106 I N 0.182 120.935 120.570 0.305 0.000 2.264 106 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 106 I C 2.639 178.824 176.117 0.113 0.000 1.111 106 I CA 1.573 62.979 61.300 0.176 0.000 1.382 106 I CB -1.105 36.965 38.000 0.117 0.000 1.060 106 I HN 0.072 nan 8.210 nan 0.000 0.418 107 G N 0.356 109.198 108.800 0.071 0.000 2.404 107 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 107 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 107 G C 1.878 176.765 174.900 -0.021 0.000 1.174 107 G CA 0.768 45.867 45.100 -0.000 0.000 0.780 107 G HN 0.482 nan 8.290 nan 0.000 0.537 108 A N 0.552 123.383 122.820 0.019 0.000 1.908 108 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 108 A C 2.386 179.948 177.584 -0.037 0.000 1.181 108 A CA 1.473 53.488 52.037 -0.037 0.000 0.627 108 A CB -0.404 18.697 19.000 0.168 0.000 0.818 108 A HN 0.412 nan 8.150 nan 0.000 0.445 109 I N -1.419 119.280 120.570 0.216 0.000 2.353 109 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 109 I C 2.151 178.379 176.117 0.184 0.000 1.119 109 I CA 0.961 62.443 61.300 0.303 0.000 1.417 109 I CB 0.022 38.177 38.000 0.259 0.000 1.078 109 I HN 0.295 nan 8.210 nan 0.000 0.421 110 L N 0.212 121.495 121.223 0.100 0.000 2.201 110 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 110 L C 2.473 179.370 176.870 0.046 0.000 1.105 110 L CA 1.437 56.325 54.840 0.079 0.000 0.775 110 L CB -0.595 41.497 42.059 0.056 0.000 0.913 110 L HN 0.388 nan 8.230 nan 0.000 0.440 111 C N -1.345 117.918 119.300 -0.062 0.000 2.462 111 C HA -0.160 4.300 4.460 -0.000 0.000 0.278 111 C C 2.510 177.474 174.990 -0.043 0.000 1.253 111 C CA 0.455 59.388 59.018 -0.142 0.000 1.713 111 C CB -1.049 26.467 27.740 -0.373 0.000 2.049 111 C HN 0.488 nan 8.230 nan 0.000 0.477 112 F N 0.783 120.806 119.950 0.122 0.000 2.269 112 F HA -0.049 4.478 4.527 -0.000 0.000 0.301 112 F C 2.044 177.959 175.800 0.191 0.000 1.082 112 F CA 0.862 58.957 58.000 0.159 0.000 1.360 112 F CB -1.175 37.893 39.000 0.113 0.000 1.041 112 F HN 0.137 nan 8.300 nan 0.000 0.512 113 L N 0.821 122.222 121.223 0.296 0.000 1.976 113 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 113 L C 2.449 179.432 176.870 0.187 0.000 1.071 113 L CA 2.149 57.115 54.840 0.210 0.000 0.746 113 L CB -1.270 40.887 42.059 0.162 0.000 0.890 113 L HN 0.020 nan 8.230 nan 0.000 0.432 114 A N -1.560 121.362 122.820 0.170 0.000 1.978 114 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 114 A C 2.301 179.989 177.584 0.173 0.000 1.170 114 A CA 1.882 54.006 52.037 0.145 0.000 0.636 114 A CB -1.259 17.808 19.000 0.112 0.000 0.810 114 A HN 0.714 nan 8.150 nan 0.000 0.448 115 Y N 0.671 121.037 120.300 0.111 0.000 2.200 115 Y HA -0.010 4.540 4.550 -0.000 0.000 0.290 115 Y C 2.439 178.413 175.900 0.122 0.000 1.137 115 Y CA 1.385 59.562 58.100 0.129 0.000 1.163 115 Y CB -0.751 37.823 38.460 0.189 0.000 0.988 115 Y HN 0.226 nan 8.280 nan 0.000 0.518 116 G N 0.835 109.727 108.800 0.153 0.000 2.421 116 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 116 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 116 G C 1.555 176.445 174.900 -0.018 0.000 1.171 116 G CA 1.207 46.333 45.100 0.044 0.000 0.775 116 G HN 0.387 nan 8.290 nan 0.000 0.543 117 I N 0.831 121.418 120.570 0.029 0.000 2.335 117 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 117 I C 2.711 178.823 176.117 -0.009 0.000 1.129 117 I CA 1.105 62.418 61.300 0.022 0.000 1.402 117 I CB -1.143 36.892 38.000 0.058 0.000 1.069 117 I HN 0.350 nan 8.210 nan 0.000 0.424 118 Q N 0.521 120.296 119.800 -0.042 0.000 2.020 118 Q HA -0.033 4.306 4.340 -0.000 0.000 0.198 118 Q C 2.449 178.378 176.000 -0.118 0.000 0.974 118 Q CA 1.552 57.317 55.803 -0.064 0.000 0.829 118 Q CB -0.217 28.484 28.738 -0.062 0.000 0.894 118 Q HN 0.504 nan 8.270 nan 0.000 0.433 119 A N 0.840 123.512 122.820 -0.246 0.000 2.076 119 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 119 A C 2.087 179.610 177.584 -0.103 0.000 1.160 119 A CA 1.725 53.626 52.037 -0.227 0.000 0.653 119 A CB -0.537 18.255 19.000 -0.347 0.000 0.801 119 A HN 0.410 nan 8.150 nan 0.000 0.455 120 A N -1.462 121.315 122.820 -0.072 0.000 1.887 120 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 120 A C 2.214 179.785 177.584 -0.021 0.000 1.198 120 A CA 1.744 53.760 52.037 -0.035 0.000 0.628 120 A CB -0.880 18.106 19.000 -0.022 0.000 0.847 120 A HN 0.399 nan 8.150 nan 0.000 0.449 121 T N 0.424 114.969 114.554 -0.015 0.000 2.688 121 T HA 0.028 4.378 4.350 -0.000 0.000 0.237 121 T C 0.238 174.939 174.700 0.003 0.000 1.120 121 T CA 0.669 62.769 62.100 0.000 0.000 1.469 121 T CB -0.288 68.589 68.868 0.015 0.000 1.032 121 T HN 0.331 nan 8.240 nan 0.000 0.405 122 E N 2.492 122.701 120.200 0.015 0.000 2.134 122 E HA 0.252 4.602 4.350 -0.000 0.000 0.278 122 E C -1.047 175.566 176.600 0.021 0.000 0.959 122 E CA -0.415 56.001 56.400 0.027 0.000 0.783 122 E CB 1.161 30.899 29.700 0.063 0.000 1.095 122 E HN 0.377 nan 8.360 nan 0.000 0.399 123 D N 3.238 123.647 120.400 0.015 0.000 2.433 123 D HA -0.095 4.545 4.640 -0.000 0.000 0.274 123 D C -0.545 175.777 176.300 0.036 0.000 1.344 123 D CA 0.502 54.509 54.000 0.012 0.000 0.989 123 D CB 0.375 41.184 40.800 0.014 0.000 1.116 123 D HN 0.020 nan 8.370 nan 0.000 0.533 124 E N 5.312 125.526 120.200 0.024 0.000 2.046 124 E HA 0.141 4.491 4.350 -0.000 0.000 0.279 124 E C -1.441 175.202 176.600 0.070 0.000 0.989 124 E CA -1.800 54.634 56.400 0.056 0.000 0.798 124 E CB 1.286 31.019 29.700 0.055 0.000 1.086 124 E HN 0.520 nan 8.360 nan 0.000 0.399 125 P HA 0.045 nan 4.420 nan 0.000 0.245 125 P C 0.326 177.678 177.300 0.087 0.000 1.212 125 P CA 0.187 63.336 63.100 0.082 0.000 0.774 125 P CB 0.338 32.080 31.700 0.071 0.000 0.999 126 A N 1.343 124.220 122.820 0.095 0.000 2.292 126 A HA 0.244 4.564 4.320 -0.000 0.000 0.265 126 A C 1.081 178.723 177.584 0.097 0.000 1.133 126 A CA -0.074 52.007 52.037 0.074 0.000 0.807 126 A CB 0.024 19.073 19.000 0.081 0.000 1.102 126 A HN 0.083 nan 8.150 nan 0.000 0.502 127 N N -1.186 117.511 118.700 -0.005 0.000 2.118 127 N HA 0.043 4.783 4.740 -0.000 0.000 0.226 127 N C -0.127 175.371 175.510 -0.019 0.000 1.305 127 N CA 0.247 53.255 53.050 -0.071 0.000 0.890 127 N CB 0.178 38.322 38.487 -0.572 0.000 1.118 127 N HN 0.604 nan 8.380 nan 0.000 0.511 128 D N 2.114 122.525 120.400 0.018 0.000 2.327 128 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 128 D C 1.583 177.915 176.300 0.052 0.000 1.036 128 D CA 1.452 55.468 54.000 0.027 0.000 0.897 128 D CB -0.263 40.568 40.800 0.052 0.000 1.117 128 D HN 0.156 nan 8.370 nan 0.000 0.471 129 N N 0.024 118.782 118.700 0.096 0.000 2.149 129 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 129 N C 1.899 177.359 175.510 -0.084 0.000 1.019 129 N CA 0.438 53.517 53.050 0.048 0.000 0.857 129 N CB -0.393 38.202 38.487 0.179 0.000 0.997 129 N HN 0.132 nan 8.380 nan 0.000 0.426 130 L N 0.365 121.504 121.223 -0.140 0.000 1.994 130 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 130 L C 1.983 178.852 176.870 -0.002 0.000 1.071 130 L CA 1.620 56.292 54.840 -0.281 0.000 0.745 130 L CB -0.839 40.847 42.059 -0.621 0.000 0.892 130 L HN 0.017 nan 8.230 nan 0.000 0.431 131 Y N -1.202 119.019 120.300 -0.131 0.000 2.200 131 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 131 Y C 2.337 178.173 175.900 -0.108 0.000 1.137 131 Y CA 1.418 59.469 58.100 -0.082 0.000 1.163 131 Y CB -0.713 37.709 38.460 -0.062 0.000 0.988 131 Y HN 0.204 nan 8.280 nan 0.000 0.518 132 L N -0.155 121.080 121.223 0.020 0.000 2.131 132 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 132 L C 2.331 179.084 176.870 -0.194 0.000 1.092 132 L CA 2.126 56.919 54.840 -0.078 0.000 0.759 132 L CB -1.129 40.882 42.059 -0.080 0.000 0.903 132 L HN 0.196 nan 8.230 nan 0.000 0.435 133 G N -1.599 106.978 108.800 -0.373 0.000 2.422 133 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 133 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 133 G C 1.489 176.210 174.900 -0.299 0.000 1.140 133 G CA 0.887 45.524 45.100 -0.773 0.000 0.775 133 G HN 0.321 nan 8.290 nan 0.000 0.545 134 V N 0.459 120.342 119.914 -0.052 0.000 2.379 134 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 134 V C 2.983 179.070 176.094 -0.013 0.000 1.044 134 V CA 1.242 63.584 62.300 0.070 0.000 1.036 134 V CB -0.199 31.596 31.823 -0.045 0.000 0.664 134 V HN 0.232 nan 8.190 nan 0.000 0.453 135 V N -0.065 119.815 119.914 -0.058 0.000 2.287 135 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 135 V C 2.341 178.384 176.094 -0.086 0.000 1.053 135 V CA 2.070 64.333 62.300 -0.061 0.000 1.027 135 V CB -0.546 31.246 31.823 -0.053 0.000 0.646 135 V HN 0.433 nan 8.190 nan 0.000 0.447 136 L N 0.763 121.917 121.223 -0.115 0.000 2.083 136 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 136 L C 2.743 179.484 176.870 -0.215 0.000 1.083 136 L CA 1.900 56.645 54.840 -0.158 0.000 0.752 136 L CB -0.715 41.245 42.059 -0.164 0.000 0.899 136 L HN 0.588 nan 8.230 nan 0.000 0.433 137 S N -1.782 113.842 115.700 -0.127 0.000 2.402 137 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 137 S C 1.906 176.415 174.600 -0.151 0.000 1.021 137 S CA 1.588 59.701 58.200 -0.145 0.000 0.974 137 S CB -0.662 62.693 63.200 0.258 0.000 0.800 137 S HN 0.340 nan 8.310 nan 0.000 0.484 138 T N 2.284 116.795 114.554 -0.071 0.000 2.777 138 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 138 T C 1.898 176.551 174.700 -0.079 0.000 1.040 138 T CA 1.301 63.373 62.100 -0.046 0.000 1.141 138 T CB -0.568 68.286 68.868 -0.024 0.000 0.868 138 T HN 0.288 nan 8.240 nan 0.000 0.444 139 V N 1.529 121.372 119.914 -0.119 0.000 2.332 139 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 139 V C 2.643 178.634 176.094 -0.171 0.000 1.055 139 V CA 1.416 63.643 62.300 -0.122 0.000 1.038 139 V CB -0.786 30.954 31.823 -0.139 0.000 0.651 139 V HN 0.331 nan 8.190 nan 0.000 0.450 140 V N -0.168 119.550 119.914 -0.327 0.000 2.295 140 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 140 V C 2.165 178.107 176.094 -0.254 0.000 1.049 140 V CA 2.233 64.264 62.300 -0.448 0.000 1.024 140 V CB -0.533 30.656 31.823 -1.057 0.000 0.648 140 V HN 0.432 nan 8.190 nan 0.000 0.447 141 I N 0.841 121.323 120.570 -0.146 0.000 2.142 141 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 141 I C 2.552 178.718 176.117 0.083 0.000 1.078 141 I CA 1.962 63.279 61.300 0.028 0.000 1.343 141 I CB -0.637 37.430 38.000 0.112 0.000 1.046 141 I HN 0.367 nan 8.210 nan 0.000 0.405 142 V N -1.773 118.182 119.914 0.068 0.000 2.343 142 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 142 V C 2.285 178.516 176.094 0.228 0.000 1.051 142 V CA 2.368 64.748 62.300 0.135 0.000 1.036 142 V CB -1.610 30.291 31.823 0.130 0.000 0.654 142 V HN 0.393 nan 8.190 nan 0.000 0.451 143 T N 1.087 115.726 114.554 0.141 0.000 2.833 143 T HA 0.001 4.351 4.350 -0.000 0.000 0.269 143 T C 1.917 176.691 174.700 0.123 0.000 1.054 143 T CA 1.597 63.790 62.100 0.154 0.000 1.135 143 T CB -0.820 68.058 68.868 0.016 0.000 0.869 143 T HN 0.737 nan 8.240 nan 0.000 0.466 144 G N 0.544 109.333 108.800 -0.018 0.000 2.418 144 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.217 144 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.217 144 G C 1.849 176.745 174.900 -0.007 0.000 1.158 144 G CA 1.023 45.999 45.100 -0.206 0.000 0.771 144 G HN 0.554 nan 8.290 nan 0.000 0.545 145 C N -0.117 119.314 119.300 0.217 0.000 2.425 145 C HA 0.065 4.525 4.460 -0.000 0.000 0.277 145 C C 2.491 177.624 174.990 0.239 0.000 1.280 145 C CA 0.248 59.463 59.018 0.328 0.000 1.744 145 C CB -1.233 26.603 27.740 0.160 0.000 1.989 145 C HN 0.391 nan 8.230 nan 0.000 0.491 146 F N 2.293 122.344 119.950 0.168 0.000 2.113 146 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 146 F C 2.822 178.733 175.800 0.184 0.000 1.103 146 F CA 2.088 60.178 58.000 0.151 0.000 1.248 146 F CB -0.622 38.430 39.000 0.087 0.000 0.999 146 F HN 0.255 nan 8.300 nan 0.000 0.475 147 S N -1.105 114.792 115.700 0.328 0.000 2.406 147 S HA -0.250 4.220 4.470 -0.000 0.000 0.228 147 S C 1.960 176.685 174.600 0.207 0.000 1.020 147 S CA 0.853 59.177 58.200 0.208 0.000 0.965 147 S CB -1.291 61.975 63.200 0.111 0.000 0.798 147 S HN 0.477 nan 8.310 nan 0.000 0.488 148 Y N 1.416 121.787 120.300 0.119 0.000 2.200 148 Y HA -0.102 4.448 4.550 -0.000 0.000 0.290 148 Y C 2.232 178.227 175.900 0.158 0.000 1.137 148 Y CA 1.298 59.480 58.100 0.138 0.000 1.163 148 Y CB -0.886 37.710 38.460 0.227 0.000 0.988 148 Y HN 0.341 nan 8.280 nan 0.000 0.518 149 Y N 0.913 121.206 120.300 -0.011 0.000 2.274 149 Y HA -0.233 4.317 4.550 -0.000 0.000 0.290 149 Y C 2.640 178.495 175.900 -0.075 0.000 1.145 149 Y CA 2.206 60.242 58.100 -0.107 0.000 1.203 149 Y CB -0.411 38.028 38.460 -0.035 0.000 0.984 149 Y HN 0.323 nan 8.280 nan 0.000 0.533 150 Q N -0.017 119.817 119.800 0.058 0.000 2.187 150 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 150 Q C 0.643 176.597 176.000 -0.077 0.000 0.957 150 Q CA 0.990 56.794 55.803 0.002 0.000 0.857 150 Q CB 0.131 28.938 28.738 0.115 0.000 0.929 150 Q HN 0.449 nan 8.270 nan 0.000 0.453 151 E N 0.718 120.877 120.200 -0.069 0.000 2.320 151 E HA 0.198 4.548 4.350 -0.000 0.000 0.234 151 E C -0.758 175.763 176.600 -0.131 0.000 1.290 151 E CA -0.188 56.173 56.400 -0.065 0.000 1.545 151 E CB 0.499 30.201 29.700 0.002 0.000 1.379 151 E HN 0.257 nan 8.360 nan 0.000 0.437 152 A N 1.407 124.101 122.820 -0.210 0.000 2.371 152 A HA 0.281 4.601 4.320 -0.000 0.000 0.257 152 A C 0.268 177.770 177.584 -0.138 0.000 1.089 152 A CA -0.106 51.787 52.037 -0.240 0.000 0.794 152 A CB 0.479 19.282 19.000 -0.327 0.000 1.029 152 A HN 0.115 nan 8.150 nan 0.000 0.488 153 K N 1.793 122.132 120.400 -0.101 0.000 2.752 153 K HA 0.185 4.505 4.320 -0.000 0.000 0.199 153 K C -0.593 175.984 176.600 -0.038 0.000 1.069 153 K CA 0.002 56.257 56.287 -0.054 0.000 1.033 153 K CB 1.418 33.905 32.500 -0.022 0.000 1.229 153 K HN 0.564 nan 8.250 nan 0.000 0.572 154 S N 1.621 117.293 115.700 -0.048 0.000 2.700 154 S HA 0.115 4.585 4.470 -0.000 0.000 0.321 154 S C -0.426 174.167 174.600 -0.012 0.000 1.161 154 S CA -0.129 58.053 58.200 -0.029 0.000 1.078 154 S CB 0.028 63.204 63.200 -0.039 0.000 1.302 154 S HN 0.366 nan 8.310 nan 0.000 0.540 155 S N 4.431 120.133 115.700 0.003 0.000 2.659 155 S HA 0.536 5.006 4.470 -0.000 0.000 0.312 155 S C -0.241 174.374 174.600 0.026 0.000 1.114 155 S CA -0.782 57.426 58.200 0.014 0.000 1.063 155 S CB 0.523 63.732 63.200 0.016 0.000 0.996 155 S HN 0.790 nan 8.310 nan 0.000 0.478 156 R N 4.778 125.297 120.500 0.031 0.000 2.795 156 R HA 0.277 4.617 4.340 -0.000 0.000 0.320 156 R C 0.793 177.133 176.300 0.067 0.000 1.223 156 R CA -0.340 55.786 56.100 0.043 0.000 1.305 156 R CB 0.127 30.447 30.300 0.033 0.000 1.318 156 R HN 0.545 nan 8.270 nan 0.000 0.636 157 I N 0.551 121.173 120.570 0.088 0.000 2.099 157 I HA -0.276 3.894 4.170 -0.000 0.000 0.239 157 I C 2.252 178.523 176.117 0.257 0.000 1.066 157 I CA 1.666 63.061 61.300 0.158 0.000 1.324 157 I CB -0.442 37.653 38.000 0.158 0.000 1.037 157 I HN 0.361 nan 8.210 nan 0.000 0.401 158 M N 1.127 120.838 119.600 0.186 0.000 2.202 158 M HA -0.204 4.276 4.480 -0.000 0.000 0.262 158 M C 1.637 178.052 176.300 0.190 0.000 1.063 158 M CA 1.652 57.062 55.300 0.184 0.000 1.097 158 M CB -0.712 31.931 32.600 0.073 0.000 1.382 158 M HN 0.130 nan 8.290 nan 0.000 0.413 159 D N -0.878 119.600 120.400 0.130 0.000 2.117 159 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 159 D C 2.001 178.360 176.300 0.098 0.000 0.987 159 D CA 1.528 55.586 54.000 0.096 0.000 0.829 159 D CB -0.182 40.654 40.800 0.060 0.000 0.961 159 D HN 0.345 nan 8.370 nan 0.000 0.460 160 S N -0.187 115.562 115.700 0.083 0.000 2.368 160 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 160 S C 1.819 176.415 174.600 -0.008 0.000 1.030 160 S CA 0.628 58.827 58.200 -0.002 0.000 0.999 160 S CB -0.304 62.845 63.200 -0.084 0.000 0.844 160 S HN 0.202 nan 8.310 nan 0.000 0.459 161 F N 1.762 121.748 119.950 0.060 0.000 2.134 161 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 161 F C 2.279 178.187 175.800 0.181 0.000 1.097 161 F CA 1.171 59.242 58.000 0.119 0.000 1.264 161 F CB -0.265 38.823 39.000 0.147 0.000 1.001 161 F HN 0.081 nan 8.300 nan 0.000 0.479 162 K N -0.049 120.535 120.400 0.306 0.000 2.152 162 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 162 K C 1.548 178.238 176.600 0.151 0.000 1.048 162 K CA 1.220 57.625 56.287 0.198 0.000 0.933 162 K CB -0.295 32.276 32.500 0.118 0.000 0.721 162 K HN 0.238 nan 8.250 nan 0.000 0.447 163 N N 0.489 119.254 118.700 0.108 0.000 2.520 163 N HA -0.079 4.660 4.740 -0.000 0.000 0.185 163 N C 1.347 176.894 175.510 0.062 0.000 1.068 163 N CA 0.966 54.052 53.050 0.061 0.000 0.911 163 N CB 0.082 38.581 38.487 0.020 0.000 0.961 163 N HN 0.296 nan 8.380 nan 0.000 0.446 164 M N 0.061 119.723 119.600 0.103 0.000 2.541 164 M HA 0.062 4.542 4.480 -0.000 0.000 0.252 164 M C 0.567 176.989 176.300 0.204 0.000 1.125 164 M CA 0.088 55.430 55.300 0.070 0.000 1.091 164 M CB 0.724 33.279 32.600 -0.074 0.000 1.420 164 M HN -0.188 nan 8.290 nan 0.000 0.486 165 V N 3.943 124.051 119.914 0.324 0.000 2.455 165 V HA 0.276 4.396 4.120 -0.000 0.000 0.273 165 V C -2.017 174.157 176.094 0.133 0.000 1.045 165 V CA -1.992 60.482 62.300 0.290 0.000 0.976 165 V CB 0.636 32.580 31.823 0.203 0.000 0.993 165 V HN 0.056 nan 8.190 nan 0.000 0.475 166 P HA 0.107 nan 4.420 nan 0.000 0.271 166 P C 0.065 177.380 177.300 0.026 0.000 1.233 166 P CA -0.015 63.118 63.100 0.055 0.000 0.789 166 P CB 0.925 32.656 31.700 0.052 0.000 0.951 167 Q N 0.240 120.044 119.800 0.008 0.000 2.119 167 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 167 Q C 0.553 176.533 176.000 -0.033 0.000 0.972 167 Q CA 1.764 57.556 55.803 -0.018 0.000 0.847 167 Q CB 0.182 28.911 28.738 -0.015 0.000 0.903 167 Q HN 0.496 nan 8.270 nan 0.000 0.433 168 Q N -1.635 118.158 119.800 -0.010 0.000 2.484 168 Q HA 0.746 5.086 4.340 -0.000 0.000 0.285 168 Q C -1.627 174.380 176.000 0.013 0.000 1.097 168 Q CA -0.672 55.127 55.803 -0.007 0.000 0.802 168 Q CB 2.321 31.060 28.738 0.001 0.000 1.444 168 Q HN 0.161 nan 8.270 nan 0.000 0.429 169 A N 0.932 123.764 122.820 0.020 0.000 2.527 169 A HA 0.731 5.050 4.320 -0.000 0.000 0.293 169 A C -1.881 175.723 177.584 0.033 0.000 1.117 169 A CA -0.558 51.497 52.037 0.030 0.000 0.723 169 A CB 1.450 20.471 19.000 0.034 0.000 1.313 169 A HN 0.498 nan 8.150 nan 0.000 0.411 170 L N 1.839 123.081 121.223 0.031 0.000 2.272 170 L HA 0.684 5.024 4.340 -0.000 0.000 0.289 170 L C -0.291 176.597 176.870 0.030 0.000 1.032 170 L CA -0.250 54.608 54.840 0.030 0.000 0.810 170 L CB 1.326 43.400 42.059 0.026 0.000 1.205 170 L HN 0.923 nan 8.230 nan 0.000 0.422 171 V N 3.246 123.179 119.914 0.032 0.000 3.001 171 V HA 0.647 4.767 4.120 -0.000 0.000 0.314 171 V C -0.469 175.640 176.094 0.026 0.000 1.099 171 V CA -0.820 61.498 62.300 0.030 0.000 0.989 171 V CB 2.222 34.067 31.823 0.035 0.000 1.040 171 V HN 0.503 nan 8.190 nan 0.000 0.434 172 I N 2.789 123.373 120.570 0.023 0.000 2.307 172 I HA 0.593 4.763 4.170 -0.000 0.000 0.289 172 I C 0.111 176.239 176.117 0.017 0.000 1.021 172 I CA -0.156 61.155 61.300 0.019 0.000 1.224 172 I CB 0.780 38.790 38.000 0.017 0.000 1.376 172 I HN 0.747 nan 8.210 nan 0.000 0.470 173 R N 4.471 124.980 120.500 0.015 0.000 2.561 173 R HA 0.322 4.661 4.340 -0.000 0.000 0.297 173 R C -0.786 175.517 176.300 0.006 0.000 0.969 173 R CA -0.786 55.320 56.100 0.011 0.000 0.879 173 R CB 1.578 31.885 30.300 0.013 0.000 1.178 173 R HN 0.478 nan 8.270 nan 0.000 0.445 174 D N 1.921 122.322 120.400 0.002 0.000 2.708 174 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 174 D C 0.830 177.129 176.300 -0.002 0.000 1.146 174 D CA 2.002 56.001 54.000 -0.002 0.000 0.662 174 D CB -0.995 39.804 40.800 -0.002 0.000 1.059 174 D HN 1.051 nan 8.370 nan 0.000 0.428 175 G N -0.955 107.844 108.800 -0.002 0.000 2.166 175 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 175 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 175 G C 0.107 175.007 174.900 0.000 0.000 0.986 175 G CA 0.699 45.797 45.100 -0.003 0.000 0.683 175 G HN 0.511 nan 8.290 nan 0.000 0.527 176 E N 0.025 120.227 120.200 0.004 0.000 2.272 176 E HA 0.578 4.928 4.350 -0.000 0.000 0.269 176 E C 0.039 176.645 176.600 0.010 0.000 0.877 176 E CA -0.993 55.410 56.400 0.006 0.000 0.755 176 E CB 0.864 30.567 29.700 0.005 0.000 1.192 176 E HN 0.476 nan 8.360 nan 0.000 0.422 177 K N 1.202 121.608 120.400 0.011 0.000 2.234 177 K HA 0.713 5.033 4.320 -0.000 0.000 0.282 177 K C -0.722 175.888 176.600 0.018 0.000 1.039 177 K CA -0.588 55.708 56.287 0.015 0.000 0.928 177 K CB 1.061 33.569 32.500 0.014 0.000 1.039 177 K HN 0.386 nan 8.250 nan 0.000 0.470 178 S N 0.573 116.287 115.700 0.023 0.000 2.556 178 S HA 0.340 4.810 4.470 -0.000 0.000 0.271 178 S C -0.537 174.083 174.600 0.034 0.000 1.135 178 S CA -1.022 57.195 58.200 0.028 0.000 0.858 178 S CB 1.269 64.487 63.200 0.029 0.000 1.114 178 S HN 0.715 nan 8.310 nan 0.000 0.468 179 T N 0.333 114.908 114.554 0.035 0.000 2.832 179 T HA 0.655 5.005 4.350 -0.000 0.000 0.296 179 T C 0.254 174.986 174.700 0.055 0.000 0.968 179 T CA -0.683 61.440 62.100 0.038 0.000 1.107 179 T CB -0.276 68.610 68.868 0.030 0.000 0.916 179 T HN 1.001 nan 8.240 nan 0.000 0.517 180 I N -0.174 120.435 120.570 0.064 0.000 2.934 180 I HA 0.587 4.757 4.170 -0.000 0.000 0.306 180 I C -0.204 175.940 176.117 0.045 0.000 1.110 180 I CA -1.453 59.909 61.300 0.104 0.000 1.019 180 I CB 1.948 40.048 38.000 0.167 0.000 1.227 180 I HN 0.453 nan 8.210 nan 0.000 0.434 181 N N 2.757 121.452 118.700 -0.009 0.000 2.359 181 N HA -0.003 4.737 4.740 -0.000 0.000 0.261 181 N C 0.960 176.361 175.510 -0.182 0.000 1.267 181 N CA 0.952 53.860 53.050 -0.237 0.000 0.864 181 N CB 1.538 39.588 38.487 -0.729 0.000 1.063 181 N HN 0.877 nan 8.380 nan 0.000 0.474 182 A N 4.580 127.327 122.820 -0.121 0.000 2.070 182 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 182 A C 1.751 179.294 177.584 -0.068 0.000 1.159 182 A CA 1.258 53.264 52.037 -0.052 0.000 0.656 182 A CB -0.293 18.695 19.000 -0.019 0.000 0.800 182 A HN 0.873 nan 8.150 nan 0.000 0.453 183 E N -0.838 119.260 120.200 -0.169 0.000 2.268 183 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 183 E C 1.081 177.696 176.600 0.024 0.000 0.995 183 E CA 0.742 57.064 56.400 -0.130 0.000 0.836 183 E CB -0.288 29.288 29.700 -0.207 0.000 0.763 183 E HN 0.859 nan 8.360 nan 0.000 0.491 184 F N 1.030 120.978 119.950 -0.004 0.000 2.811 184 F HA 0.020 4.546 4.527 -0.000 0.000 0.301 184 F C 0.874 176.671 175.800 -0.005 0.000 1.151 184 F CA -0.642 57.356 58.000 -0.003 0.000 1.412 184 F CB 0.465 39.466 39.000 0.001 0.000 1.113 184 F HN -0.214 nan 8.300 nan 0.000 0.579 185 V N 2.414 122.418 119.914 0.150 0.000 2.637 185 V HA 0.125 4.245 4.120 -0.000 0.000 0.296 185 V C 0.276 176.401 176.094 0.052 0.000 1.046 185 V CA -0.493 61.854 62.300 0.079 0.000 1.066 185 V CB 1.062 32.909 31.823 0.040 0.000 0.968 185 V HN 0.038 nan 8.190 nan 0.000 0.483 186 V N 2.300 122.231 119.914 0.028 0.000 3.102 186 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 186 V C 0.143 176.213 176.094 -0.039 0.000 1.135 186 V CA -1.176 61.130 62.300 0.009 0.000 1.022 186 V CB 1.677 33.514 31.823 0.022 0.000 1.056 186 V HN 1.035 nan 8.190 nan 0.000 0.436 187 A N 1.174 123.956 122.820 -0.063 0.000 2.520 187 A HA 0.574 4.894 4.320 -0.000 0.000 0.245 187 A C 1.484 178.974 177.584 -0.157 0.000 1.072 187 A CA 0.864 52.783 52.037 -0.195 0.000 0.761 187 A CB -0.636 18.255 19.000 -0.182 0.000 1.004 187 A HN 2.829 nan 8.150 nan 0.000 0.499 188 G N 2.337 110.981 108.800 -0.259 0.000 2.284 188 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 188 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 188 G C -0.063 174.831 174.900 -0.010 0.000 1.009 188 G CA 0.387 45.445 45.100 -0.070 0.000 0.625 188 G HN 1.202 nan 8.290 nan 0.000 0.501 189 D N 0.803 121.188 120.400 -0.024 0.000 2.358 189 D HA 0.546 5.186 4.640 -0.000 0.000 0.244 189 D C 0.236 176.543 176.300 0.010 0.000 1.163 189 D CA -0.869 53.137 54.000 0.010 0.000 0.945 189 D CB 0.997 41.806 40.800 0.014 0.000 1.152 189 D HN 0.282 nan 8.370 nan 0.000 0.451 190 L N 1.119 122.360 121.223 0.031 0.000 2.260 190 L HA 0.349 4.689 4.340 -0.000 0.000 0.289 190 L C -0.899 175.984 176.870 0.023 0.000 1.057 190 L CA -0.499 54.363 54.840 0.036 0.000 0.811 190 L CB 0.956 43.043 42.059 0.047 0.000 1.184 190 L HN 0.316 nan 8.230 nan 0.000 0.429 191 V N 4.972 124.895 119.914 0.015 0.000 2.667 191 V HA 0.500 4.620 4.120 -0.000 0.000 0.308 191 V C -0.263 175.842 176.094 0.019 0.000 1.048 191 V CA -0.755 61.554 62.300 0.016 0.000 0.928 191 V CB 1.971 33.800 31.823 0.010 0.000 1.004 191 V HN 0.792 nan 8.190 nan 0.000 0.444 192 E N 2.564 122.778 120.200 0.022 0.000 2.210 192 E HA 0.696 5.046 4.350 -0.000 0.000 0.266 192 E C -1.417 175.199 176.600 0.026 0.000 0.883 192 E CA -0.530 55.884 56.400 0.024 0.000 0.761 192 E CB 2.159 31.873 29.700 0.023 0.000 1.156 192 E HN 0.594 nan 8.360 nan 0.000 0.412 193 V N 0.962 120.892 119.914 0.027 0.000 3.040 193 V HA 0.793 4.913 4.120 -0.000 0.000 0.312 193 V C -1.080 175.033 176.094 0.031 0.000 1.115 193 V CA -0.830 61.487 62.300 0.029 0.000 0.998 193 V CB 1.702 33.543 31.823 0.029 0.000 1.042 193 V HN 0.824 nan 8.190 nan 0.000 0.433 194 K N 1.088 121.507 120.400 0.030 0.000 2.522 194 K HA 0.756 5.076 4.320 -0.000 0.000 0.275 194 K C 0.070 176.687 176.600 0.029 0.000 1.006 194 K CA -0.419 55.888 56.287 0.032 0.000 0.890 194 K CB 1.632 34.150 32.500 0.031 0.000 1.475 194 K HN 1.370 nan 8.250 nan 0.000 0.441 195 G N -0.332 108.486 108.800 0.029 0.000 2.178 195 G HA2 0.291 4.251 3.960 -0.000 0.000 0.244 195 G HA3 0.291 4.251 3.960 -0.000 0.000 0.244 195 G C 0.947 175.859 174.900 0.020 0.000 1.213 195 G CA 0.554 45.668 45.100 0.024 0.000 0.912 195 G HN 1.352 nan 8.290 nan 0.000 0.474 196 G N 2.140 110.951 108.800 0.018 0.000 2.195 196 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.224 196 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.224 196 G C 0.079 174.988 174.900 0.016 0.000 0.990 196 G CA 0.529 45.638 45.100 0.015 0.000 0.639 196 G HN 1.234 nan 8.290 nan 0.000 0.514 197 D N -0.282 120.130 120.400 0.020 0.000 2.299 197 D HA 0.683 5.323 4.640 -0.000 0.000 0.243 197 D C 0.290 176.605 176.300 0.026 0.000 0.982 197 D CA -1.000 53.014 54.000 0.023 0.000 0.924 197 D CB 0.780 41.596 40.800 0.026 0.000 1.238 197 D HN 0.340 nan 8.370 nan 0.000 0.484 198 R N 0.435 120.953 120.500 0.031 0.000 2.441 198 R HA 0.325 4.665 4.340 -0.000 0.000 0.284 198 R C -0.003 176.332 176.300 0.058 0.000 1.070 198 R CA -0.865 55.256 56.100 0.036 0.000 1.047 198 R CB 0.760 31.085 30.300 0.042 0.000 1.016 198 R HN 0.432 nan 8.270 nan 0.000 0.477 199 I N 5.518 126.128 120.570 0.065 0.000 2.517 199 I HA 0.010 4.180 4.170 -0.000 0.000 0.285 199 I C -1.198 175.016 176.117 0.162 0.000 1.106 199 I CA -2.111 59.245 61.300 0.093 0.000 1.402 199 I CB 0.588 38.643 38.000 0.093 0.000 1.399 199 I HN 0.469 nan 8.210 nan 0.000 0.535 200 P HA 0.091 nan 4.420 nan 0.000 0.231 200 P C 0.123 177.528 177.300 0.175 0.000 1.168 200 P CA 0.670 63.862 63.100 0.152 0.000 0.779 200 P CB 0.836 32.584 31.700 0.080 0.000 0.844 201 A N -0.816 122.113 122.820 0.181 0.000 2.544 201 A HA 0.401 4.721 4.320 -0.000 0.000 0.291 201 A C -1.692 175.985 177.584 0.156 0.000 1.055 201 A CA -0.685 51.444 52.037 0.153 0.000 0.651 201 A CB 0.017 19.046 19.000 0.048 0.000 1.296 201 A HN -0.215 nan 8.150 nan 0.000 0.431 202 D N 1.221 121.721 120.400 0.166 0.000 2.417 202 D HA 0.493 5.133 4.640 -0.000 0.000 0.250 202 D C -0.370 175.904 176.300 -0.044 0.000 1.166 202 D CA 0.854 54.915 54.000 0.102 0.000 0.881 202 D CB 0.420 41.373 40.800 0.256 0.000 1.164 202 D HN 0.432 nan 8.370 nan 0.000 0.467 203 L N 1.843 122.993 121.223 -0.121 0.000 2.354 203 L HA 0.487 4.827 4.340 -0.000 0.000 0.269 203 L C 0.445 177.220 176.870 -0.159 0.000 1.005 203 L CA -1.157 53.605 54.840 -0.131 0.000 0.819 203 L CB 1.953 43.962 42.059 -0.084 0.000 1.311 203 L HN 0.017 nan 8.230 nan 0.000 0.423 204 R N 3.102 123.522 120.500 -0.133 0.000 2.198 204 R HA 0.364 4.704 4.340 -0.000 0.000 0.339 204 R C -0.581 175.683 176.300 -0.060 0.000 1.020 204 R CA -0.777 55.268 56.100 -0.092 0.000 0.864 204 R CB 0.463 30.709 30.300 -0.089 0.000 1.105 204 R HN 0.469 nan 8.270 nan 0.000 0.463 205 I N 7.585 128.132 120.570 -0.038 0.000 2.587 205 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 205 I C 1.681 177.807 176.117 0.014 0.000 1.134 205 I CA 0.424 61.718 61.300 -0.009 0.000 1.410 205 I CB 0.214 38.215 38.000 0.001 0.000 1.392 205 I HN 0.644 nan 8.210 nan 0.000 0.545 206 I N 1.856 122.441 120.570 0.025 0.000 4.323 206 I HA 0.301 4.471 4.170 -0.000 0.000 0.328 206 I C 0.616 176.765 176.117 0.054 0.000 1.310 206 I CA 0.122 61.451 61.300 0.048 0.000 1.186 206 I CB 0.820 38.865 38.000 0.076 0.000 1.130 206 I HN 0.435 nan 8.210 nan 0.000 0.411 207 S N 0.642 116.371 115.700 0.047 0.000 2.543 207 S HA 0.851 5.321 4.470 -0.000 0.000 0.273 207 S C -1.275 173.357 174.600 0.054 0.000 1.152 207 S CA -0.004 58.226 58.200 0.051 0.000 0.910 207 S CB 1.809 65.038 63.200 0.048 0.000 1.105 207 S HN 0.592 nan 8.310 nan 0.000 0.465 208 A N 3.178 126.039 122.820 0.068 0.000 2.589 208 A HA 0.704 5.024 4.320 -0.000 0.000 0.296 208 A C -1.680 175.982 177.584 0.130 0.000 1.062 208 A CA -0.496 51.588 52.037 0.079 0.000 0.686 208 A CB 1.477 20.507 19.000 0.049 0.000 1.282 208 A HN 0.861 nan 8.150 nan 0.000 0.404 209 H N 0.974 120.053 119.070 0.015 0.000 3.078 209 H HA 0.435 4.991 4.556 -0.000 0.000 0.319 209 H C 0.914 176.251 175.328 0.014 0.000 0.995 209 H CA 0.589 56.645 56.048 0.014 0.000 1.417 209 H CB 1.105 30.875 29.762 0.012 0.000 1.598 209 H HN 1.911 nan 8.280 nan 0.000 0.515 210 G N 3.834 112.466 108.800 -0.280 0.000 2.296 210 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.282 210 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.282 210 G C 0.644 175.508 174.900 -0.061 0.000 1.014 210 G CA 0.508 45.492 45.100 -0.193 0.000 0.812 210 G HN 0.704 nan 8.290 nan 0.000 0.508 211 C N 0.710 119.998 119.300 -0.020 0.000 2.627 211 C HA 0.604 5.064 4.460 -0.000 0.000 0.404 211 C C 0.764 175.758 174.990 0.007 0.000 1.340 211 C CA -0.400 58.623 59.018 0.009 0.000 1.758 211 C CB -0.409 27.346 27.740 0.025 0.000 2.501 211 C HN 0.447 nan 8.230 nan 0.000 0.588 212 K N 4.258 124.665 120.400 0.011 0.000 2.318 212 K HA 0.779 5.099 4.320 -0.000 0.000 0.249 212 K C -1.205 175.408 176.600 0.022 0.000 0.942 212 K CA -0.654 55.642 56.287 0.016 0.000 0.808 212 K CB 2.308 34.814 32.500 0.011 0.000 1.189 212 K HN 0.496 nan 8.250 nan 0.000 0.428 213 V N 1.157 121.089 119.914 0.030 0.000 2.962 213 V HA 0.228 4.348 4.120 -0.000 0.000 0.313 213 V C -1.513 174.601 176.094 0.033 0.000 1.099 213 V CA -0.674 61.648 62.300 0.036 0.000 0.971 213 V CB 2.223 34.077 31.823 0.052 0.000 1.028 213 V HN 0.764 nan 8.190 nan 0.000 0.430 214 D N 3.132 123.548 120.400 0.025 0.000 2.443 214 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 214 D C 0.088 176.395 176.300 0.011 0.000 1.097 214 D CA -0.161 53.847 54.000 0.012 0.000 0.865 214 D CB 0.685 41.484 40.800 -0.002 0.000 1.034 214 D HN 0.469 nan 8.370 nan 0.000 0.511 215 N N 1.351 120.060 118.700 0.015 0.000 2.313 215 N HA -0.077 4.663 4.740 -0.000 0.000 0.207 215 N C 1.624 177.109 175.510 -0.043 0.000 1.141 215 N CA 0.062 53.115 53.050 0.004 0.000 0.830 215 N CB 0.362 38.864 38.487 0.025 0.000 1.008 215 N HN 0.431 nan 8.380 nan 0.000 0.481 216 S N -0.994 114.680 115.700 -0.042 0.000 2.420 216 S HA -0.126 4.344 4.470 -0.000 0.000 0.237 216 S C 2.020 176.574 174.600 -0.077 0.000 1.023 216 S CA 1.127 59.293 58.200 -0.057 0.000 0.991 216 S CB -0.255 62.916 63.200 -0.048 0.000 0.792 216 S HN 0.104 nan 8.310 nan 0.000 0.488 217 S N 1.589 117.236 115.700 -0.089 0.000 2.383 217 S HA 0.039 4.509 4.470 -0.000 0.000 0.229 217 S C 1.505 176.042 174.600 -0.104 0.000 1.030 217 S CA 1.615 59.750 58.200 -0.109 0.000 1.002 217 S CB -0.396 62.723 63.200 -0.135 0.000 0.829 217 S HN 0.560 nan 8.310 nan 0.000 0.467 218 L N 0.262 121.408 121.223 -0.128 0.000 2.463 218 L HA 0.189 4.529 4.340 -0.000 0.000 0.219 218 L C 2.202 178.991 176.870 -0.136 0.000 1.088 218 L CA 0.939 55.682 54.840 -0.162 0.000 0.849 218 L CB -0.429 41.459 42.059 -0.285 0.000 1.012 218 L HN 0.360 nan 8.230 nan 0.000 0.468 219 T N -5.651 108.834 114.554 -0.115 0.000 2.964 219 T HA 0.389 4.739 4.350 -0.000 0.000 0.250 219 T C 1.564 176.208 174.700 -0.093 0.000 0.982 219 T CA 0.528 62.560 62.100 -0.114 0.000 0.959 219 T CB 0.651 69.449 68.868 -0.117 0.000 1.141 219 T HN 0.240 nan 8.240 nan 0.000 0.494 220 G N 1.570 110.323 108.800 -0.077 0.000 2.179 220 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.260 220 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.260 220 G C -0.254 174.614 174.900 -0.053 0.000 0.977 220 G CA 0.132 45.195 45.100 -0.062 0.000 0.641 220 G HN 0.616 nan 8.290 nan 0.000 0.533 221 E N 0.489 120.656 120.200 -0.056 0.000 2.151 221 E HA 0.506 4.856 4.350 -0.000 0.000 0.275 221 E C 0.959 177.543 176.600 -0.027 0.000 0.936 221 E CA 0.123 56.500 56.400 -0.039 0.000 0.777 221 E CB 1.475 31.148 29.700 -0.044 0.000 1.108 221 E HN 0.421 nan 8.360 nan 0.000 0.401 222 S N 0.975 116.665 115.700 -0.018 0.000 2.575 222 S HA -0.043 4.427 4.470 -0.000 0.000 0.215 222 S C 0.597 175.195 174.600 -0.003 0.000 0.966 222 S CA -0.354 57.839 58.200 -0.013 0.000 0.911 222 S CB -0.331 62.861 63.200 -0.014 0.000 0.780 222 S HN 0.510 nan 8.310 nan 0.000 0.514 223 E N 2.267 122.469 120.200 0.003 0.000 2.366 223 E HA 0.238 4.588 4.350 -0.000 0.000 0.266 223 E C -2.748 173.861 176.600 0.015 0.000 1.015 223 E CA -1.814 54.592 56.400 0.010 0.000 0.906 223 E CB -0.106 29.605 29.700 0.018 0.000 0.979 223 E HN 0.136 nan 8.360 nan 0.000 0.443 224 P HA -0.032 nan 4.420 nan 0.000 0.267 224 P C -1.032 176.283 177.300 0.025 0.000 1.205 224 P CA 0.194 63.304 63.100 0.016 0.000 0.765 224 P CB 0.569 32.276 31.700 0.010 0.000 0.828 225 Q N 1.762 121.582 119.800 0.034 0.000 2.307 225 Q HA 0.252 4.592 4.340 -0.000 0.000 0.262 225 Q C -0.013 176.010 176.000 0.039 0.000 0.961 225 Q CA -0.299 55.530 55.803 0.044 0.000 0.882 225 Q CB 0.989 29.764 28.738 0.061 0.000 1.264 225 Q HN 0.432 nan 8.270 nan 0.000 0.446 226 T N 1.659 116.232 114.554 0.032 0.000 2.940 226 T HA 0.305 4.655 4.350 -0.000 0.000 0.309 226 T C 0.256 174.973 174.700 0.028 0.000 1.056 226 T CA -0.495 61.618 62.100 0.023 0.000 1.137 226 T CB 0.758 69.635 68.868 0.014 0.000 0.976 226 T HN 0.195 nan 8.240 nan 0.000 0.547 227 R N 1.773 122.287 120.500 0.022 0.000 2.480 227 R HA 0.663 5.003 4.340 -0.000 0.000 0.306 227 R C -0.413 175.900 176.300 0.020 0.000 0.958 227 R CA -0.644 55.469 56.100 0.023 0.000 0.861 227 R CB 1.930 32.241 30.300 0.018 0.000 1.171 227 R HN 0.982 nan 8.270 nan 0.000 0.445 228 S N 1.100 116.814 115.700 0.025 0.000 2.607 228 S HA 0.528 4.998 4.470 -0.000 0.000 0.273 228 S C -2.474 172.150 174.600 0.040 0.000 1.148 228 S CA -1.274 56.944 58.200 0.029 0.000 0.833 228 S CB 2.758 65.972 63.200 0.023 0.000 1.130 228 S HN 0.151 nan 8.310 nan 0.000 0.470 229 P HA 0.054 nan 4.420 nan 0.000 0.223 229 P C 0.178 177.526 177.300 0.080 0.000 1.151 229 P CA 0.628 63.763 63.100 0.057 0.000 0.787 229 P CB 0.009 31.742 31.700 0.055 0.000 0.788 230 E N 0.459 120.704 120.200 0.074 0.000 2.344 230 E HA 0.029 4.379 4.350 -0.000 0.000 0.270 230 E C -0.618 176.058 176.600 0.127 0.000 1.021 230 E CA -0.867 55.590 56.400 0.095 0.000 0.887 230 E CB 0.100 29.830 29.700 0.050 0.000 0.997 230 E HN -0.014 nan 8.360 nan 0.000 0.429 231 F N 4.482 124.460 119.950 0.047 0.000 2.495 231 F HA 0.128 4.655 4.527 -0.000 0.000 0.365 231 F C 0.540 176.385 175.800 0.075 0.000 1.090 231 F CA 0.273 58.319 58.000 0.076 0.000 1.235 231 F CB 0.980 40.005 39.000 0.041 0.000 1.119 231 F HN 0.348 nan 8.300 nan 0.000 0.562 232 S N 2.253 117.543 115.700 -0.684 0.000 2.787 232 S HA 0.340 4.809 4.470 -0.000 0.000 0.255 232 S C -0.021 174.236 174.600 -0.571 0.000 1.051 232 S CA 0.091 57.913 58.200 -0.630 0.000 1.124 232 S CB -0.160 62.903 63.200 -0.229 0.000 1.104 232 S HN 0.707 nan 8.310 nan 0.000 0.623 233 S N 0.303 115.683 115.700 -0.533 0.000 2.542 233 S HA 0.334 4.804 4.470 -0.000 0.000 0.276 233 S C 0.027 174.923 174.600 0.492 0.000 1.148 233 S CA -0.488 57.687 58.200 -0.041 0.000 0.886 233 S CB 1.349 64.578 63.200 0.048 0.000 1.109 233 S HN 0.145 nan 8.310 nan 0.000 0.458 234 E N 1.824 122.327 120.200 0.505 0.000 2.118 234 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 234 E C 0.672 177.562 176.600 0.483 0.000 0.992 234 E CA 0.808 57.531 56.400 0.538 0.000 0.804 234 E CB -0.373 29.505 29.700 0.297 0.000 0.741 234 E HN 0.541 nan 8.360 nan 0.000 0.458 235 N N 2.217 121.086 118.700 0.282 0.000 2.416 235 N HA -0.013 4.727 4.740 -0.000 0.000 0.265 235 N C -1.747 173.800 175.510 0.062 0.000 1.195 235 N CA -1.525 51.623 53.050 0.163 0.000 0.943 235 N CB 1.230 39.795 38.487 0.130 0.000 1.115 235 N HN -0.175 nan 8.380 nan 0.000 0.481 236 P HA -0.106 nan 4.420 nan 0.000 0.222 236 P C 1.210 178.577 177.300 0.112 0.000 1.147 236 P CA 0.956 63.871 63.100 -0.308 0.000 0.790 236 P CB 0.365 31.896 31.700 -0.281 0.000 0.780 237 L N -0.650 120.638 121.223 0.109 0.000 2.610 237 L HA 0.030 4.370 4.340 -0.000 0.000 0.232 237 L C 2.027 178.956 176.870 0.099 0.000 1.149 237 L CA 0.875 55.760 54.840 0.075 0.000 0.872 237 L CB -0.441 41.567 42.059 -0.084 0.000 0.992 237 L HN -0.033 nan 8.230 nan 0.000 0.447 238 E N -1.317 118.952 120.200 0.116 0.000 2.474 238 E HA 0.073 4.423 4.350 -0.000 0.000 0.215 238 E C 0.863 177.529 176.600 0.109 0.000 0.867 238 E CA 0.103 56.569 56.400 0.110 0.000 1.135 238 E CB 0.665 30.429 29.700 0.107 0.000 1.147 238 E HN 0.113 nan 8.360 nan 0.000 0.534 239 T N 0.311 114.933 114.554 0.115 0.000 2.802 239 T HA 0.118 4.468 4.350 -0.000 0.000 0.305 239 T C 1.155 175.912 174.700 0.096 0.000 1.053 239 T CA 0.001 62.166 62.100 0.108 0.000 1.058 239 T CB 0.875 69.880 68.868 0.228 0.000 0.988 239 T HN -0.031 nan 8.240 nan 0.000 0.539 240 R N 1.217 121.757 120.500 0.067 0.000 2.223 240 R HA 0.056 4.396 4.340 -0.000 0.000 0.198 240 R C 1.441 177.769 176.300 0.046 0.000 0.984 240 R CA 0.574 56.704 56.100 0.051 0.000 1.018 240 R CB -0.005 30.311 30.300 0.027 0.000 0.945 240 R HN 0.662 nan 8.270 nan 0.000 0.479 241 N N 0.738 119.483 118.700 0.075 0.000 2.370 241 N HA -0.004 4.736 4.740 -0.000 0.000 0.198 241 N C -0.194 175.317 175.510 0.003 0.000 1.156 241 N CA 0.411 53.499 53.050 0.063 0.000 0.839 241 N CB 0.357 38.917 38.487 0.122 0.000 0.989 241 N HN 0.022 nan 8.380 nan 0.000 0.468 242 I N 0.701 121.229 120.570 -0.070 0.000 2.465 242 I HA 0.553 4.723 4.170 -0.000 0.000 0.291 242 I C -0.442 175.404 176.117 -0.452 0.000 1.014 242 I CA -1.331 59.795 61.300 -0.289 0.000 1.093 242 I CB 1.264 39.027 38.000 -0.394 0.000 1.267 242 I HN 0.002 nan 8.210 nan 0.000 0.431 243 A N 6.395 128.932 122.820 -0.471 0.000 2.342 243 A HA 0.870 5.190 4.320 -0.000 0.000 0.323 243 A C -1.270 176.044 177.584 -0.450 0.000 1.125 243 A CA -0.367 51.455 52.037 -0.359 0.000 0.785 243 A CB 0.894 19.826 19.000 -0.112 0.000 1.221 243 A HN 0.452 nan 8.150 nan 0.000 0.463 244 F N 0.961 120.947 119.950 0.060 0.000 2.480 244 F HA 0.509 5.036 4.527 -0.000 0.000 0.329 244 F C 0.146 176.001 175.800 0.092 0.000 1.091 244 F CA -0.732 57.322 58.000 0.090 0.000 0.972 244 F CB 1.397 40.432 39.000 0.059 0.000 1.150 244 F HN 0.631 nan 8.300 nan 0.000 0.467 245 F N 2.573 122.665 119.950 0.236 0.000 2.553 245 F HA 0.298 4.825 4.527 -0.000 0.000 0.356 245 F C 1.079 176.984 175.800 0.175 0.000 1.142 245 F CA 0.610 58.709 58.000 0.164 0.000 1.322 245 F CB 0.646 39.728 39.000 0.136 0.000 1.126 245 F HN 0.741 nan 8.300 nan 0.000 0.599 246 S N 0.968 115.985 115.700 -1.138 0.000 2.659 246 S HA -0.191 4.279 4.470 -0.000 0.000 0.264 246 S C 0.081 174.489 174.600 -0.320 0.000 1.310 246 S CA 0.680 58.360 58.200 -0.868 0.000 1.262 246 S CB -3.046 59.697 63.200 -0.763 0.000 1.548 246 S HN 1.732 nan 8.310 nan 0.000 0.657 247 T N 0.452 114.914 114.554 -0.152 0.000 2.927 247 T HA 0.753 5.103 4.350 -0.000 0.000 0.286 247 T C -0.618 174.071 174.700 -0.018 0.000 1.040 247 T CA -0.240 61.830 62.100 -0.049 0.000 1.010 247 T CB 1.437 70.328 68.868 0.037 0.000 1.177 247 T HN 1.002 nan 8.240 nan 0.000 0.546 248 N N -1.296 117.402 118.700 -0.003 0.000 2.262 248 N HA 0.493 5.233 4.740 -0.000 0.000 0.295 248 N C -1.206 174.315 175.510 0.018 0.000 1.161 248 N CA -1.034 52.021 53.050 0.008 0.000 0.767 248 N CB 1.676 40.161 38.487 -0.003 0.000 1.499 248 N HN 0.836 nan 8.380 nan 0.000 0.476 249 C N 1.683 120.996 119.300 0.022 0.000 2.514 249 C HA 0.356 4.816 4.460 -0.000 0.000 0.392 249 C C 1.313 176.314 174.990 0.018 0.000 1.294 249 C CA -0.278 58.754 59.018 0.023 0.000 1.957 249 C CB -0.309 27.446 27.740 0.026 0.000 2.541 249 C HN 0.684 nan 8.230 nan 0.000 0.569 250 V N 4.887 124.811 119.914 0.017 0.000 3.263 250 V HA 0.203 4.323 4.120 -0.000 0.000 0.248 250 V C 0.667 176.769 176.094 0.014 0.000 1.145 250 V CA 1.371 63.679 62.300 0.013 0.000 1.107 250 V CB -0.339 31.490 31.823 0.010 0.000 0.797 250 V HN 0.976 nan 8.190 nan 0.000 0.467 251 E N -2.173 118.037 120.200 0.017 0.000 2.422 251 E HA 0.497 4.847 4.350 -0.000 0.000 0.280 251 E C 0.055 176.669 176.600 0.023 0.000 1.091 251 E CA -0.269 56.142 56.400 0.018 0.000 0.849 251 E CB 1.184 30.891 29.700 0.011 0.000 1.353 251 E HN 0.347 nan 8.360 nan 0.000 0.449 252 G N 0.031 108.850 108.800 0.032 0.000 2.645 252 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.239 252 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.239 252 G C -0.405 174.534 174.900 0.066 0.000 1.331 252 G CA -0.004 45.127 45.100 0.052 0.000 0.890 252 G HN 0.923 nan 8.290 nan 0.000 0.572 253 T N -1.065 113.542 114.554 0.088 0.000 2.916 253 T HA 0.878 5.228 4.350 -0.000 0.000 0.305 253 T C -0.399 174.344 174.700 0.072 0.000 1.119 253 T CA 0.901 63.046 62.100 0.076 0.000 1.008 253 T CB 1.246 70.161 68.868 0.079 0.000 1.129 253 T HN 2.452 nan 8.240 nan 0.000 0.480 254 A N 2.957 125.808 122.820 0.051 0.000 2.594 254 A HA 0.887 5.207 4.320 -0.000 0.000 0.295 254 A C -1.139 176.465 177.584 0.034 0.000 1.071 254 A CA -0.800 51.263 52.037 0.044 0.000 0.685 254 A CB 1.865 20.885 19.000 0.033 0.000 1.285 254 A HN 0.805 nan 8.150 nan 0.000 0.405 255 R N -0.460 120.059 120.500 0.032 0.000 2.803 255 R HA 0.752 5.092 4.340 -0.000 0.000 0.276 255 R C -0.069 176.243 176.300 0.021 0.000 0.978 255 R CA 0.362 56.478 56.100 0.028 0.000 0.939 255 R CB 2.351 32.671 30.300 0.033 0.000 1.179 255 R HN 1.449 nan 8.270 nan 0.000 0.472 256 G N 0.506 109.313 108.800 0.012 0.000 2.698 256 G HA2 0.426 4.386 3.960 -0.000 0.000 0.293 256 G HA3 0.426 4.386 3.960 -0.000 0.000 0.293 256 G C -1.771 173.116 174.900 -0.023 0.000 1.437 256 G CA -0.514 44.580 45.100 -0.010 0.000 0.852 256 G HN 0.409 nan 8.290 nan 0.000 0.499 257 V N 0.915 120.791 119.914 -0.063 0.000 2.407 257 V HA 0.345 4.465 4.120 -0.000 0.000 0.278 257 V C 0.552 176.533 176.094 -0.189 0.000 1.037 257 V CA -0.679 61.557 62.300 -0.107 0.000 0.900 257 V CB 1.432 33.158 31.823 -0.161 0.000 0.983 257 V HN 0.590 nan 8.190 nan 0.000 0.459 258 V N 6.383 126.176 119.914 -0.201 0.000 2.485 258 V HA 0.023 4.143 4.120 -0.000 0.000 0.287 258 V C 1.147 176.934 176.094 -0.512 0.000 1.022 258 V CA 0.705 62.856 62.300 -0.249 0.000 1.067 258 V CB 0.998 32.722 31.823 -0.163 0.000 0.967 258 V HN 0.864 nan 8.190 nan 0.000 0.479 259 V N 2.229 121.845 119.914 -0.496 0.000 3.263 259 V HA 0.362 4.482 4.120 -0.000 0.000 0.248 259 V C 0.167 175.849 176.094 -0.688 0.000 1.145 259 V CA 0.499 62.327 62.300 -0.787 0.000 1.107 259 V CB -0.275 31.185 31.823 -0.605 0.000 0.797 259 V HN 0.598 nan 8.190 nan 0.000 0.467 260 Y N -0.425 119.808 120.300 -0.112 0.000 2.524 260 Y HA 0.803 5.353 4.550 -0.000 0.000 0.347 260 Y C -0.007 175.860 175.900 -0.054 0.000 1.005 260 Y CA -0.914 57.161 58.100 -0.041 0.000 1.025 260 Y CB 2.140 40.612 38.460 0.020 0.000 1.275 260 Y HN -0.112 nan 8.280 nan 0.000 0.460 261 T N 0.795 115.430 114.554 0.136 0.000 2.903 261 T HA 0.571 4.921 4.350 -0.000 0.000 0.299 261 T C 0.383 175.054 174.700 -0.049 0.000 1.093 261 T CA 0.110 62.218 62.100 0.013 0.000 1.002 261 T CB 1.647 70.519 68.868 0.007 0.000 1.127 261 T HN 1.096 nan 8.240 nan 0.000 0.488 262 G N 2.747 111.457 108.800 -0.149 0.000 2.672 262 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.324 262 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.324 262 G C 0.662 175.441 174.900 -0.203 0.000 1.286 262 G CA 0.963 45.946 45.100 -0.195 0.000 1.004 262 G HN 0.732 nan 8.290 nan 0.000 0.548 263 D N 0.710 121.028 120.400 -0.136 0.000 2.263 263 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 263 D C 2.585 178.814 176.300 -0.119 0.000 0.971 263 D CA 1.061 54.987 54.000 -0.123 0.000 0.867 263 D CB -0.151 40.595 40.800 -0.091 0.000 0.929 263 D HN 0.515 nan 8.370 nan 0.000 0.492 264 R N 0.145 120.583 120.500 -0.104 0.000 2.297 264 R HA 0.057 4.397 4.340 -0.000 0.000 0.197 264 R C 0.999 177.150 176.300 -0.248 0.000 0.943 264 R CA 0.213 56.220 56.100 -0.155 0.000 1.038 264 R CB 0.013 30.281 30.300 -0.054 0.000 0.957 264 R HN 0.187 nan 8.270 nan 0.000 0.484 265 T N -2.514 111.985 114.554 -0.091 0.000 2.802 265 T HA 0.044 4.394 4.350 -0.000 0.000 0.305 265 T C 1.665 176.381 174.700 0.026 0.000 1.053 265 T CA -0.699 61.426 62.100 0.041 0.000 1.058 265 T CB 1.225 70.192 68.868 0.165 0.000 0.988 265 T HN -0.212 nan 8.240 nan 0.000 0.539 266 V N 1.229 121.234 119.914 0.151 0.000 2.287 266 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 266 V C 2.594 178.738 176.094 0.082 0.000 1.053 266 V CA 1.751 64.108 62.300 0.095 0.000 1.027 266 V CB -0.751 31.162 31.823 0.150 0.000 0.646 266 V HN 0.809 nan 8.190 nan 0.000 0.447 267 M N -0.011 119.720 119.600 0.218 0.000 2.514 267 M HA 0.157 4.637 4.480 -0.000 0.000 0.258 267 M C 2.217 178.644 176.300 0.213 0.000 1.119 267 M CA 1.225 56.656 55.300 0.219 0.000 1.111 267 M CB -1.419 31.310 32.600 0.215 0.000 1.390 267 M HN 0.413 nan 8.290 nan 0.000 0.475 268 G N 0.640 109.595 108.800 0.259 0.000 2.422 268 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 268 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 268 G C 1.879 176.692 174.900 -0.145 0.000 1.146 268 G CA 0.431 45.528 45.100 -0.006 0.000 0.769 268 G HN 0.381 nan 8.290 nan 0.000 0.547 269 R N -0.303 120.132 120.500 -0.108 0.000 2.075 269 R HA 0.052 4.392 4.340 -0.000 0.000 0.232 269 R C 2.486 178.689 176.300 -0.162 0.000 1.126 269 R CA 0.809 56.831 56.100 -0.130 0.000 0.963 269 R CB -0.266 29.969 30.300 -0.108 0.000 0.858 269 R HN 0.246 nan 8.270 nan 0.000 0.435 270 I N 1.055 121.530 120.570 -0.158 0.000 2.163 270 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 270 I C 2.524 178.410 176.117 -0.386 0.000 1.085 270 I CA 1.451 62.648 61.300 -0.172 0.000 1.347 270 I CB -1.504 36.470 38.000 -0.044 0.000 1.044 270 I HN 0.159 nan 8.210 nan 0.000 0.408 271 A N 0.864 123.178 122.820 -0.843 0.000 1.884 271 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 271 A C 2.461 179.765 177.584 -0.467 0.000 1.197 271 A CA 3.033 54.333 52.037 -1.229 0.000 0.637 271 A CB -1.296 16.970 19.000 -1.223 0.000 0.827 271 A HN 0.458 nan 8.150 nan 0.000 0.450 272 T N -0.035 114.338 114.554 -0.301 0.000 2.708 272 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 272 T C 1.841 176.466 174.700 -0.125 0.000 1.037 272 T CA 1.454 63.454 62.100 -0.167 0.000 1.146 272 T CB -0.483 68.308 68.868 -0.129 0.000 0.865 272 T HN 0.296 nan 8.240 nan 0.000 0.435 273 L N 1.672 122.819 121.223 -0.127 0.000 1.971 273 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 273 L C 2.676 179.507 176.870 -0.065 0.000 1.072 273 L CA 2.217 57.005 54.840 -0.086 0.000 0.758 273 L CB -1.240 40.771 42.059 -0.081 0.000 0.889 273 L HN 0.258 nan 8.230 nan 0.000 0.433 274 A N -1.537 121.241 122.820 -0.070 0.000 1.877 274 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 274 A C 2.316 179.900 177.584 -0.001 0.000 1.186 274 A CA 2.186 54.217 52.037 -0.010 0.000 0.620 274 A CB -1.039 18.000 19.000 0.065 0.000 0.822 274 A HN 0.579 nan 8.150 nan 0.000 0.443 275 S N -0.440 115.247 115.700 -0.022 0.000 2.423 275 S HA 0.008 4.477 4.470 -0.000 0.000 0.231 275 S C 1.909 176.501 174.600 -0.012 0.000 1.014 275 S CA 0.921 59.119 58.200 -0.003 0.000 0.965 275 S CB -0.392 62.800 63.200 -0.013 0.000 0.785 275 S HN 0.753 nan 8.310 nan 0.000 0.495 276 G N 1.119 109.902 108.800 -0.029 0.000 2.494 276 G HA2 0.193 4.152 3.960 -0.000 0.000 0.216 276 G HA3 0.193 4.152 3.960 -0.000 0.000 0.216 276 G C 0.416 175.304 174.900 -0.019 0.000 1.140 276 G CA -0.311 44.774 45.100 -0.026 0.000 0.801 276 G HN 0.364 nan 8.290 nan 0.000 0.536 277 L N 2.028 123.240 121.223 -0.019 0.000 2.601 277 L HA 0.028 4.368 4.340 -0.000 0.000 0.277 277 L C 0.203 177.067 176.870 -0.009 0.000 1.219 277 L CA -0.254 54.576 54.840 -0.016 0.000 0.915 277 L CB 0.434 42.484 42.059 -0.015 0.000 1.160 277 L HN 0.165 nan 8.230 nan 0.000 0.494 278 E N 3.124 123.318 120.200 -0.010 0.000 2.417 278 E HA -0.021 4.329 4.350 -0.000 0.000 0.261 278 E C 1.057 177.654 176.600 -0.005 0.000 1.000 278 E CA -0.075 56.322 56.400 -0.005 0.000 0.919 278 E CB 1.154 30.851 29.700 -0.005 0.000 0.955 278 E HN 0.404 nan 8.360 nan 0.000 0.455 279 V N 3.268 123.181 119.914 -0.001 0.000 2.214 279 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 279 V C 1.259 177.350 176.094 -0.005 0.000 1.047 279 V CA 1.855 64.154 62.300 -0.003 0.000 0.998 279 V CB -1.316 30.507 31.823 -0.000 0.000 0.633 279 V HN 0.999 nan 8.190 nan 0.000 0.446 280 G N -0.545 108.254 108.800 -0.002 0.000 2.699 280 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 280 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 280 G C -0.625 174.272 174.900 -0.004 0.000 1.301 280 G CA -0.519 44.580 45.100 -0.003 0.000 0.816 280 G HN 0.495 nan 8.290 nan 0.000 0.595 281 R N 0.465 120.963 120.500 -0.004 0.000 2.390 281 R HA 0.580 4.920 4.340 -0.000 0.000 0.291 281 R C 1.354 177.650 176.300 -0.007 0.000 1.070 281 R CA 0.282 56.379 56.100 -0.005 0.000 1.014 281 R CB 0.762 31.059 30.300 -0.005 0.000 1.007 281 R HN 0.906 nan 8.270 nan 0.000 0.466 282 T N 0.247 114.798 114.554 -0.006 0.000 2.828 282 T HA 0.178 4.528 4.350 -0.000 0.000 0.290 282 T C -1.744 172.958 174.700 0.003 0.000 1.019 282 T CA -1.659 60.439 62.100 -0.003 0.000 1.031 282 T CB 1.115 69.982 68.868 -0.001 0.000 1.001 282 T HN 0.272 nan 8.240 nan 0.000 0.531 283 P HA -0.080 nan 4.420 nan 0.000 0.215 283 P C 1.706 179.038 177.300 0.053 0.000 1.157 283 P CA 0.325 63.433 63.100 0.014 0.000 0.868 283 P CB -0.063 31.634 31.700 -0.005 0.000 0.788 284 I N -0.290 120.323 120.570 0.072 0.000 2.226 284 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 284 I C 2.007 178.161 176.117 0.062 0.000 1.100 284 I CA 1.599 62.964 61.300 0.109 0.000 1.374 284 I CB -1.471 36.592 38.000 0.106 0.000 1.057 284 I HN -0.136 nan 8.210 nan 0.000 0.413 285 A N 0.829 123.663 122.820 0.023 0.000 1.883 285 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 285 A C 2.351 179.910 177.584 -0.042 0.000 1.186 285 A CA 1.755 53.784 52.037 -0.014 0.000 0.624 285 A CB -0.834 18.157 19.000 -0.016 0.000 0.822 285 A HN 0.454 nan 8.150 nan 0.000 0.444 286 I N -0.243 120.316 120.570 -0.019 0.000 2.208 286 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 286 I C 2.468 178.572 176.117 -0.021 0.000 1.097 286 I CA 1.387 62.672 61.300 -0.024 0.000 1.363 286 I CB -0.423 37.573 38.000 -0.007 0.000 1.051 286 I HN 0.329 nan 8.210 nan 0.000 0.413 287 E N 0.760 120.977 120.200 0.028 0.000 2.085 287 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 287 E C 2.274 178.886 176.600 0.020 0.000 0.994 287 E CA 1.251 57.704 56.400 0.088 0.000 0.801 287 E CB -0.278 29.532 29.700 0.184 0.000 0.743 287 E HN 0.423 nan 8.360 nan 0.000 0.453 288 I N 1.552 122.059 120.570 -0.104 0.000 2.127 288 I HA -0.245 3.925 4.170 -0.000 0.000 0.241 288 I C 2.200 177.801 176.117 -0.860 0.000 1.075 288 I CA 1.328 62.338 61.300 -0.483 0.000 1.334 288 I CB -1.407 36.439 38.000 -0.257 0.000 1.040 288 I HN 0.173 nan 8.210 nan 0.000 0.405 289 E N -0.469 119.421 120.200 -0.517 0.000 2.118 289 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 289 E C 2.213 178.335 176.600 -0.796 0.000 0.992 289 E CA 1.099 57.126 56.400 -0.621 0.000 0.804 289 E CB -0.385 29.077 29.700 -0.396 0.000 0.741 289 E HN 0.579 nan 8.360 nan 0.000 0.458 290 H N 0.601 119.360 119.070 -0.519 0.000 2.321 290 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 290 H C 2.087 177.299 175.328 -0.193 0.000 1.087 290 H CA 1.929 57.807 56.048 -0.284 0.000 1.319 290 H CB -0.041 29.676 29.762 -0.075 0.000 1.379 290 H HN 0.287 nan 8.280 nan 0.000 0.501 291 F N 0.089 119.948 119.950 -0.151 0.000 2.456 291 F HA 0.092 4.619 4.527 -0.000 0.000 0.298 291 F C 2.240 177.946 175.800 -0.157 0.000 1.104 291 F CA 0.240 58.149 58.000 -0.153 0.000 1.435 291 F CB -1.036 37.935 39.000 -0.048 0.000 1.078 291 F HN 0.022 nan 8.300 nan 0.000 0.546 292 I N 0.854 121.016 120.570 -0.680 0.000 2.226 292 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 292 I C 2.501 178.455 176.117 -0.272 0.000 1.100 292 I CA 1.839 62.721 61.300 -0.697 0.000 1.374 292 I CB -0.760 36.617 38.000 -1.038 0.000 1.057 292 I HN 0.248 nan 8.210 nan 0.000 0.413 293 H N 0.463 119.384 119.070 -0.249 0.000 2.319 293 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 293 H C 2.381 177.654 175.328 -0.093 0.000 1.092 293 H CA 1.457 57.412 56.048 -0.154 0.000 1.302 293 H CB -0.024 29.636 29.762 -0.170 0.000 1.373 293 H HN 0.263 nan 8.280 nan 0.000 0.497 294 I N 0.542 121.112 120.570 -0.000 0.000 2.099 294 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 294 I C 2.201 178.362 176.117 0.073 0.000 1.066 294 I CA 1.451 62.746 61.300 -0.009 0.000 1.324 294 I CB -0.239 37.720 38.000 -0.069 0.000 1.037 294 I HN 0.205 nan 8.210 nan 0.000 0.401 295 I N 0.067 120.734 120.570 0.163 0.000 2.315 295 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 295 I C 2.508 178.796 176.117 0.286 0.000 1.117 295 I CA 1.396 62.845 61.300 0.248 0.000 1.404 295 I CB -0.605 37.644 38.000 0.413 0.000 1.071 295 I HN 0.236 nan 8.210 nan 0.000 0.419 296 T N 0.532 115.269 114.554 0.306 0.000 2.720 296 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 296 T C 1.962 176.764 174.700 0.168 0.000 1.037 296 T CA 1.501 63.746 62.100 0.243 0.000 1.144 296 T CB -0.757 68.215 68.868 0.172 0.000 0.864 296 T HN 0.593 nan 8.240 nan 0.000 0.444 297 G N 1.810 110.689 108.800 0.133 0.000 2.459 297 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 297 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 297 G C 1.842 176.842 174.900 0.166 0.000 1.183 297 G CA 1.432 46.596 45.100 0.107 0.000 0.776 297 G HN 0.551 nan 8.290 nan 0.000 0.552 298 V N -0.769 119.252 119.914 0.178 0.000 2.594 298 V HA 0.086 4.206 4.120 -0.000 0.000 0.253 298 V C 2.891 179.153 176.094 0.280 0.000 1.069 298 V CA 1.902 64.367 62.300 0.275 0.000 1.082 298 V CB -1.032 30.952 31.823 0.268 0.000 0.680 298 V HN 0.437 nan 8.190 nan 0.000 0.469 299 A N 1.569 124.510 122.820 0.202 0.000 1.855 299 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 299 A C 2.469 180.130 177.584 0.128 0.000 1.191 299 A CA 2.597 54.717 52.037 0.138 0.000 0.613 299 A CB -0.995 18.077 19.000 0.119 0.000 0.829 299 A HN 1.164 nan 8.150 nan 0.000 0.442 300 V N -3.023 116.980 119.914 0.149 0.000 2.515 300 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 300 V C 2.194 178.393 176.094 0.174 0.000 1.058 300 V CA 1.965 64.343 62.300 0.129 0.000 1.064 300 V CB -1.180 30.711 31.823 0.113 0.000 0.675 300 V HN 0.404 nan 8.190 nan 0.000 0.461 301 F N 1.728 121.724 119.950 0.076 0.000 2.010 301 F HA -0.092 4.435 4.527 -0.000 0.000 0.296 301 F C 1.998 177.876 175.800 0.129 0.000 1.146 301 F CA 2.271 60.322 58.000 0.086 0.000 1.181 301 F CB -0.722 38.328 39.000 0.084 0.000 0.965 301 F HN 0.118 nan 8.300 nan 0.000 0.480 302 L N 0.267 121.424 121.223 -0.110 0.000 2.127 302 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 302 L C 2.778 179.696 176.870 0.079 0.000 1.089 302 L CA 1.194 55.993 54.840 -0.067 0.000 0.757 302 L CB -1.666 40.413 42.059 0.033 0.000 0.899 302 L HN 0.431 nan 8.230 nan 0.000 0.434 303 G N 0.510 109.340 108.800 0.050 0.000 2.587 303 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 303 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 303 G C 1.552 176.516 174.900 0.107 0.000 1.240 303 G CA 1.625 46.761 45.100 0.059 0.000 0.794 303 G HN 0.341 nan 8.290 nan 0.000 0.580 304 V N -1.961 117.992 119.914 0.065 0.000 2.871 304 V HA 0.081 4.201 4.120 -0.000 0.000 0.256 304 V C 2.539 178.679 176.094 0.077 0.000 1.082 304 V CA 2.101 64.454 62.300 0.089 0.000 1.105 304 V CB -0.092 31.754 31.823 0.038 0.000 0.713 304 V HN 0.323 nan 8.190 nan 0.000 0.473 305 S N 0.143 115.812 115.700 -0.052 0.000 2.399 305 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 305 S C 1.523 175.955 174.600 -0.280 0.000 1.022 305 S CA 1.796 59.852 58.200 -0.241 0.000 0.983 305 S CB -0.469 62.368 63.200 -0.604 0.000 0.803 305 S HN 0.706 nan 8.310 nan 0.000 0.480 306 F N -0.397 119.501 119.950 -0.087 0.000 2.746 306 F HA 0.329 4.856 4.527 -0.000 0.000 0.297 306 F C 1.440 177.242 175.800 0.003 0.000 1.113 306 F CA -0.322 57.642 58.000 -0.059 0.000 1.367 306 F CB -0.222 38.733 39.000 -0.076 0.000 1.111 306 F HN 0.250 nan 8.300 nan 0.000 0.590 307 F N 1.648 121.635 119.950 0.061 0.000 2.146 307 F HA -0.139 4.387 4.527 -0.000 0.000 0.298 307 F C 2.207 177.966 175.800 -0.067 0.000 1.096 307 F CA 1.732 59.736 58.000 0.007 0.000 1.275 307 F CB -0.308 38.691 39.000 -0.003 0.000 1.008 307 F HN -0.004 nan 8.300 nan 0.000 0.480 308 I N -1.725 118.876 120.570 0.051 0.000 2.406 308 I HA -0.124 4.046 4.170 -0.000 0.000 0.249 308 I C 2.225 178.268 176.117 -0.123 0.000 1.122 308 I CA 1.220 62.481 61.300 -0.066 0.000 1.431 308 I CB -0.913 37.095 38.000 0.014 0.000 1.087 308 I HN 0.172 nan 8.210 nan 0.000 0.424 309 L N 1.500 122.648 121.223 -0.125 0.000 2.191 309 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 309 L C 2.792 179.621 176.870 -0.067 0.000 1.103 309 L CA 1.673 56.428 54.840 -0.143 0.000 0.769 309 L CB -0.171 41.715 42.059 -0.287 0.000 0.908 309 L HN 0.581 nan 8.230 nan 0.000 0.438 310 S N -0.949 114.707 115.700 -0.073 0.000 2.388 310 S HA -0.102 4.368 4.470 -0.000 0.000 0.223 310 S C 1.899 176.534 174.600 0.059 0.000 1.034 310 S CA 0.519 58.725 58.200 0.010 0.000 0.963 310 S CB -0.640 62.492 63.200 -0.113 0.000 0.827 310 S HN 0.386 nan 8.310 nan 0.000 0.481 311 L N 1.040 122.138 121.223 -0.207 0.000 2.083 311 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 311 L C 2.520 179.320 176.870 -0.118 0.000 1.083 311 L CA 0.869 55.552 54.840 -0.262 0.000 0.752 311 L CB -0.641 41.133 42.059 -0.474 0.000 0.899 311 L HN 0.294 nan 8.230 nan 0.000 0.433 312 I N -0.006 120.512 120.570 -0.087 0.000 2.286 312 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 312 I C 2.271 178.362 176.117 -0.043 0.000 1.115 312 I CA 1.652 62.919 61.300 -0.054 0.000 1.392 312 I CB -0.829 37.139 38.000 -0.053 0.000 1.065 312 I HN 0.294 nan 8.210 nan 0.000 0.418 313 L N 0.433 121.649 121.223 -0.012 0.000 2.610 313 L HA 0.100 4.440 4.340 -0.000 0.000 0.232 313 L C 1.216 177.982 176.870 -0.172 0.000 1.149 313 L CA 0.503 55.319 54.840 -0.040 0.000 0.872 313 L CB -0.594 41.515 42.059 0.083 0.000 0.992 313 L HN 0.493 nan 8.230 nan 0.000 0.447 314 G N -0.750 107.976 108.800 -0.124 0.000 2.248 314 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 314 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 314 G C -0.344 174.421 174.900 -0.224 0.000 1.085 314 G CA -0.548 44.459 45.100 -0.155 0.000 0.845 314 G HN 0.215 nan 8.290 nan 0.000 0.494 315 Y N 1.396 121.649 120.300 -0.078 0.000 2.313 315 Y HA 0.508 5.057 4.550 -0.000 0.000 0.332 315 Y C 1.353 177.191 175.900 -0.103 0.000 1.071 315 Y CA -0.079 57.997 58.100 -0.040 0.000 1.169 315 Y CB 1.386 39.875 38.460 0.048 0.000 1.192 315 Y HN 0.476 nan 8.280 nan 0.000 0.487 316 S N 1.606 117.381 115.700 0.126 0.000 2.560 316 S HA -0.085 4.384 4.470 -0.000 0.000 0.284 316 S C 0.566 175.219 174.600 0.088 0.000 1.327 316 S CA -0.768 57.508 58.200 0.126 0.000 1.055 316 S CB 0.393 63.678 63.200 0.140 0.000 0.868 316 S HN 0.783 nan 8.310 nan 0.000 0.506 317 W N 1.935 123.244 121.300 0.014 0.000 2.341 317 W HA -0.071 4.589 4.660 -0.000 0.000 0.283 317 W C 1.987 178.513 176.519 0.011 0.000 1.215 317 W CA 0.624 57.977 57.345 0.014 0.000 1.211 317 W CB -0.962 28.534 29.460 0.060 0.000 1.131 317 W HN 0.656 nan 8.180 nan 0.000 0.552 318 L N -0.246 121.106 121.223 0.215 0.000 2.043 318 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 318 L C 2.075 178.935 176.870 -0.017 0.000 1.075 318 L CA 1.701 56.605 54.840 0.107 0.000 0.752 318 L CB -1.054 41.062 42.059 0.095 0.000 0.891 318 L HN 0.073 nan 8.230 nan 0.000 0.432 319 E N 0.245 120.376 120.200 -0.115 0.000 2.140 319 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 319 E C 2.396 178.503 176.600 -0.822 0.000 0.973 319 E CA 0.738 56.843 56.400 -0.491 0.000 0.829 319 E CB -0.167 29.326 29.700 -0.346 0.000 0.781 319 E HN 0.428 nan 8.360 nan 0.000 0.466 320 A N 1.538 124.122 122.820 -0.393 0.000 1.986 320 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 320 A C 2.518 180.106 177.584 0.007 0.000 1.171 320 A CA 1.876 53.726 52.037 -0.313 0.000 0.640 320 A CB -0.893 17.724 19.000 -0.637 0.000 0.811 320 A HN 0.245 nan 8.150 nan 0.000 0.451 321 V N -2.610 117.359 119.914 0.091 0.000 2.535 321 V HA -0.078 4.041 4.120 -0.000 0.000 0.246 321 V C 2.118 178.243 176.094 0.051 0.000 1.045 321 V CA 1.169 63.588 62.300 0.198 0.000 1.058 321 V CB -0.808 31.139 31.823 0.207 0.000 0.689 321 V HN 0.395 nan 8.190 nan 0.000 0.461 322 I N 0.141 120.643 120.570 -0.112 0.000 2.226 322 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 322 I C 2.623 178.765 176.117 0.042 0.000 1.100 322 I CA 1.848 63.091 61.300 -0.094 0.000 1.374 322 I CB -1.199 36.691 38.000 -0.182 0.000 1.057 322 I HN 0.288 nan 8.210 nan 0.000 0.413 323 F N 0.260 120.282 119.950 0.119 0.000 2.146 323 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 323 F C 2.437 178.258 175.800 0.035 0.000 1.096 323 F CA 0.618 58.695 58.000 0.129 0.000 1.275 323 F CB -1.349 37.696 39.000 0.075 0.000 1.008 323 F HN -0.019 nan 8.300 nan 0.000 0.480 324 L N 0.467 121.835 121.223 0.241 0.000 2.017 324 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 324 L C 2.249 179.117 176.870 -0.002 0.000 1.073 324 L CA 1.904 56.829 54.840 0.142 0.000 0.745 324 L CB -0.857 41.323 42.059 0.200 0.000 0.894 324 L HN 0.140 nan 8.230 nan 0.000 0.432 325 I N -0.119 120.448 120.570 -0.005 0.000 2.151 325 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 325 I C 2.635 178.639 176.117 -0.189 0.000 1.080 325 I CA 1.451 62.709 61.300 -0.071 0.000 1.339 325 I CB -0.924 37.050 38.000 -0.043 0.000 1.039 325 I HN 0.337 nan 8.210 nan 0.000 0.409 326 G N 1.341 109.980 108.800 -0.268 0.000 2.418 326 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 326 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 326 G C 1.584 175.937 174.900 -0.912 0.000 1.158 326 G CA 0.556 45.185 45.100 -0.785 0.000 0.771 326 G HN 0.208 nan 8.290 nan 0.000 0.545 327 I N 1.545 121.763 120.570 -0.587 0.000 2.208 327 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 327 I C 2.797 178.739 176.117 -0.292 0.000 1.097 327 I CA 0.806 61.862 61.300 -0.407 0.000 1.363 327 I CB -1.017 36.866 38.000 -0.195 0.000 1.051 327 I HN 0.103 nan 8.210 nan 0.000 0.413 328 I N 0.732 121.172 120.570 -0.217 0.000 2.127 328 I HA -0.230 3.940 4.170 -0.000 0.000 0.241 328 I C 2.784 178.782 176.117 -0.199 0.000 1.075 328 I CA 1.348 62.556 61.300 -0.154 0.000 1.334 328 I CB -1.454 36.483 38.000 -0.106 0.000 1.040 328 I HN 0.050 nan 8.210 nan 0.000 0.405 329 V N 1.396 121.159 119.914 -0.251 0.000 2.407 329 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 329 V C 2.831 178.764 176.094 -0.268 0.000 1.055 329 V CA 1.713 63.864 62.300 -0.248 0.000 1.049 329 V CB -1.187 30.487 31.823 -0.249 0.000 0.662 329 V HN 0.472 nan 8.190 nan 0.000 0.455 330 A N 0.154 122.769 122.820 -0.341 0.000 1.898 330 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 330 A C 2.141 179.584 177.584 -0.234 0.000 1.181 330 A CA 1.925 53.777 52.037 -0.309 0.000 0.620 330 A CB -0.572 18.192 19.000 -0.393 0.000 0.819 330 A HN 0.605 nan 8.150 nan 0.000 0.442 331 N N -0.129 118.448 118.700 -0.205 0.000 2.250 331 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 331 N C 0.126 175.546 175.510 -0.150 0.000 1.017 331 N CA 0.692 53.667 53.050 -0.124 0.000 0.866 331 N CB -0.035 38.415 38.487 -0.062 0.000 0.985 331 N HN 0.233 nan 8.380 nan 0.000 0.429 332 V N 4.612 124.393 119.914 -0.223 0.000 2.470 332 V HA 0.105 4.225 4.120 -0.000 0.000 0.276 332 V C -2.082 173.770 176.094 -0.403 0.000 1.040 332 V CA -1.008 61.053 62.300 -0.400 0.000 1.008 332 V CB 1.162 32.788 31.823 -0.328 0.000 0.990 332 V HN 0.111 nan 8.190 nan 0.000 0.477 333 P HA 0.252 nan 4.420 nan 0.000 0.256 333 P C 0.253 177.370 177.300 -0.306 0.000 1.689 333 P CA -0.291 62.608 63.100 -0.334 0.000 1.124 333 P CB 0.792 32.333 31.700 -0.266 0.000 1.766 334 E N 2.221 122.281 120.200 -0.234 0.000 2.171 334 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 334 E C 2.061 178.585 176.600 -0.127 0.000 0.997 334 E CA 1.843 58.137 56.400 -0.177 0.000 0.810 334 E CB -0.550 29.062 29.700 -0.148 0.000 0.738 334 E HN 0.543 nan 8.360 nan 0.000 0.467 335 G N -0.648 108.084 108.800 -0.114 0.000 3.233 335 G HA2 0.025 3.985 3.960 -0.000 0.000 0.234 335 G HA3 0.025 3.985 3.960 -0.000 0.000 0.234 335 G C 1.122 175.964 174.900 -0.096 0.000 1.137 335 G CA -0.249 44.788 45.100 -0.106 0.000 0.763 335 G HN 0.104 nan 8.290 nan 0.000 0.549 336 L N 0.544 121.732 121.223 -0.059 0.000 2.023 336 L HA 0.233 4.573 4.340 -0.000 0.000 0.205 336 L C 2.584 179.480 176.870 0.043 0.000 1.073 336 L CA 1.454 56.292 54.840 -0.004 0.000 0.745 336 L CB -0.543 41.530 42.059 0.024 0.000 0.900 336 L HN 0.162 nan 8.230 nan 0.000 0.435 337 L N -0.452 120.835 121.223 0.107 0.000 2.079 337 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 337 L C 2.607 179.456 176.870 -0.035 0.000 1.081 337 L CA 1.231 56.139 54.840 0.112 0.000 0.752 337 L CB -0.981 41.168 42.059 0.150 0.000 0.896 337 L HN 0.392 nan 8.230 nan 0.000 0.433 338 A N -0.490 122.182 122.820 -0.246 0.000 1.969 338 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 338 A C 2.344 179.674 177.584 -0.423 0.000 1.169 338 A CA 1.976 53.583 52.037 -0.718 0.000 0.635 338 A CB -0.717 17.499 19.000 -1.307 0.000 0.810 338 A HN 0.371 nan 8.150 nan 0.000 0.445 339 T N -0.094 114.334 114.554 -0.210 0.000 2.684 339 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 339 T C 1.897 176.582 174.700 -0.026 0.000 1.036 339 T CA 1.686 63.733 62.100 -0.088 0.000 1.148 339 T CB -0.546 68.299 68.868 -0.039 0.000 0.863 339 T HN 0.155 nan 8.240 nan 0.000 0.436 340 V N 1.695 121.610 119.914 0.001 0.000 2.252 340 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 340 V C 2.810 178.947 176.094 0.071 0.000 1.056 340 V CA 2.294 64.620 62.300 0.044 0.000 1.022 340 V CB -1.325 30.554 31.823 0.094 0.000 0.641 340 V HN 0.552 nan 8.190 nan 0.000 0.445 341 T N 0.000 114.616 114.554 0.103 0.000 2.665 341 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 341 T C 1.899 176.721 174.700 0.203 0.000 1.035 341 T CA 1.822 64.046 62.100 0.206 0.000 1.151 341 T CB -0.326 68.770 68.868 0.380 0.000 0.862 341 T HN 0.302 nan 8.240 nan 0.000 0.438 342 V N 0.808 120.814 119.914 0.153 0.000 2.358 342 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 342 V C 2.842 178.986 176.094 0.083 0.000 1.047 342 V CA 1.310 63.695 62.300 0.141 0.000 1.035 342 V CB -0.832 31.060 31.823 0.116 0.000 0.658 342 V HN 0.612 nan 8.190 nan 0.000 0.452 343 C N -0.517 118.809 119.300 0.044 0.000 2.429 343 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 343 C C 2.591 177.575 174.990 -0.010 0.000 1.262 343 C CA 0.441 59.454 59.018 -0.009 0.000 1.733 343 C CB -1.087 26.641 27.740 -0.020 0.000 2.010 343 C HN 0.447 nan 8.230 nan 0.000 0.483 344 L N 0.927 122.172 121.223 0.037 0.000 1.989 344 L HA -0.143 4.196 4.340 -0.000 0.000 0.211 344 L C 2.712 179.615 176.870 0.055 0.000 1.071 344 L CA 2.137 57.005 54.840 0.046 0.000 0.749 344 L CB -1.711 40.393 42.059 0.075 0.000 0.890 344 L HN 0.299 nan 8.230 nan 0.000 0.431 345 T N -0.240 114.379 114.554 0.108 0.000 2.665 345 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 345 T C 2.028 176.769 174.700 0.068 0.000 1.035 345 T CA 1.514 63.692 62.100 0.129 0.000 1.151 345 T CB -0.352 68.628 68.868 0.186 0.000 0.862 345 T HN 0.206 nan 8.240 nan 0.000 0.438 346 L N 0.612 121.854 121.223 0.032 0.000 2.141 346 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 346 L C 2.874 179.703 176.870 -0.069 0.000 1.094 346 L CA 1.119 55.952 54.840 -0.012 0.000 0.763 346 L CB -0.955 41.064 42.059 -0.067 0.000 0.908 346 L HN 0.308 nan 8.230 nan 0.000 0.437 347 T N -0.147 114.358 114.554 -0.082 0.000 2.821 347 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 347 T C 2.032 176.717 174.700 -0.025 0.000 1.046 347 T CA 1.161 63.217 62.100 -0.073 0.000 1.139 347 T CB -0.196 68.636 68.868 -0.061 0.000 0.871 347 T HN 0.420 nan 8.240 nan 0.000 0.454 348 A N 1.799 124.618 122.820 -0.001 0.000 1.972 348 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 348 A C 2.269 179.863 177.584 0.016 0.000 1.169 348 A CA 1.105 53.148 52.037 0.010 0.000 0.635 348 A CB -0.258 18.756 19.000 0.023 0.000 0.810 348 A HN 0.182 nan 8.150 nan 0.000 0.446 349 K N -0.204 120.212 120.400 0.025 0.000 2.097 349 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 349 K C 2.052 178.668 176.600 0.026 0.000 1.050 349 K CA 1.316 57.623 56.287 0.033 0.000 0.938 349 K CB -0.437 32.093 32.500 0.049 0.000 0.718 349 K HN 0.558 nan 8.250 nan 0.000 0.442 350 R N 0.478 120.990 120.500 0.020 0.000 2.096 350 R HA 0.034 4.374 4.340 -0.000 0.000 0.235 350 R C 2.284 178.590 176.300 0.011 0.000 1.127 350 R CA 1.213 57.325 56.100 0.020 0.000 0.968 350 R CB -0.015 30.292 30.300 0.011 0.000 0.861 350 R HN 0.139 nan 8.270 nan 0.000 0.440 351 M N -0.641 118.960 119.600 0.002 0.000 2.254 351 M HA -0.007 4.472 4.480 -0.000 0.000 0.265 351 M C 2.378 178.677 176.300 -0.002 0.000 1.066 351 M CA 1.226 56.523 55.300 -0.004 0.000 1.123 351 M CB -0.108 32.485 32.600 -0.011 0.000 1.388 351 M HN 0.201 nan 8.290 nan 0.000 0.425 352 A N 0.926 123.749 122.820 0.004 0.000 1.978 352 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 352 A C 2.101 179.689 177.584 0.007 0.000 1.170 352 A CA 1.436 53.476 52.037 0.006 0.000 0.636 352 A CB -0.606 18.402 19.000 0.012 0.000 0.810 352 A HN 0.466 nan 8.150 nan 0.000 0.448 353 R N -0.475 120.031 120.500 0.010 0.000 2.313 353 R HA 0.002 4.342 4.340 -0.000 0.000 0.199 353 R C 0.700 177.005 176.300 0.008 0.000 0.958 353 R CA 1.148 57.254 56.100 0.011 0.000 1.047 353 R CB -0.057 30.253 30.300 0.016 0.000 0.955 353 R HN 0.749 nan 8.270 nan 0.000 0.481 354 K N -0.510 119.892 120.400 0.004 0.000 2.564 354 K HA 0.204 4.524 4.320 -0.000 0.000 0.205 354 K C -0.188 176.411 176.600 -0.002 0.000 1.053 354 K CA -0.461 55.827 56.287 0.002 0.000 1.072 354 K CB 0.349 32.849 32.500 -0.000 0.000 0.822 354 K HN -0.181 nan 8.250 nan 0.000 0.497 355 N N -0.063 118.636 118.700 -0.001 0.000 2.776 355 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 355 N C -1.163 174.342 175.510 -0.009 0.000 1.112 355 N CA 0.992 54.041 53.050 -0.003 0.000 0.733 355 N CB -2.035 36.453 38.487 0.000 0.000 1.097 355 N HN 0.526 nan 8.380 nan 0.000 0.558 356 C N 1.579 120.871 119.300 -0.013 0.000 2.301 356 C HA 0.575 5.035 4.460 -0.000 0.000 0.313 356 C C 0.191 175.171 174.990 -0.018 0.000 1.121 356 C CA -1.066 57.939 59.018 -0.022 0.000 1.507 356 C CB -0.682 27.041 27.740 -0.030 0.000 1.975 356 C HN 0.316 nan 8.230 nan 0.000 0.425 357 L N 7.003 128.215 121.223 -0.018 0.000 2.319 357 L HA 0.596 4.935 4.340 -0.000 0.000 0.280 357 L C -0.315 176.541 176.870 -0.023 0.000 1.099 357 L CA 0.446 55.277 54.840 -0.016 0.000 0.828 357 L CB 1.357 43.408 42.059 -0.013 0.000 1.150 357 L HN 0.495 nan 8.230 nan 0.000 0.442 358 V N 6.936 126.837 119.914 -0.022 0.000 2.347 358 V HA 0.323 4.442 4.120 -0.000 0.000 0.280 358 V C 0.941 177.011 176.094 -0.040 0.000 1.021 358 V CA -0.549 61.733 62.300 -0.030 0.000 0.847 358 V CB 0.998 32.806 31.823 -0.025 0.000 0.990 358 V HN 0.817 nan 8.190 nan 0.000 0.444 359 K N 2.435 122.806 120.400 -0.048 0.000 2.243 359 K HA 0.155 4.475 4.320 -0.000 0.000 0.201 359 K C 0.101 176.646 176.600 -0.093 0.000 1.051 359 K CA 0.515 56.765 56.287 -0.061 0.000 0.970 359 K CB 0.217 32.688 32.500 -0.049 0.000 0.755 359 K HN 0.509 nan 8.250 nan 0.000 0.465 360 N N 1.242 119.891 118.700 -0.085 0.000 2.448 360 N HA 0.069 4.809 4.740 -0.000 0.000 0.279 360 N C 0.263 175.720 175.510 -0.088 0.000 1.025 360 N CA -0.287 52.701 53.050 -0.103 0.000 0.898 360 N CB 2.015 40.456 38.487 -0.077 0.000 1.303 360 N HN -0.109 nan 8.380 nan 0.000 0.495 361 L N 2.564 123.716 121.223 -0.118 0.000 2.129 361 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 361 L C 1.672 178.529 176.870 -0.022 0.000 1.087 361 L CA 1.971 56.772 54.840 -0.066 0.000 0.757 361 L CB -0.144 41.873 42.059 -0.070 0.000 0.896 361 L HN 0.592 nan 8.230 nan 0.000 0.434 362 E N -1.128 119.057 120.200 -0.026 0.000 2.208 362 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 362 E C 2.090 178.690 176.600 -0.001 0.000 0.988 362 E CA 0.777 57.176 56.400 -0.001 0.000 0.828 362 E CB -0.232 29.465 29.700 -0.004 0.000 0.763 362 E HN 0.589 nan 8.360 nan 0.000 0.478 363 A N 1.011 123.821 122.820 -0.017 0.000 2.178 363 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 363 A C 2.297 179.872 177.584 -0.014 0.000 1.157 363 A CA 0.642 52.668 52.037 -0.019 0.000 0.689 363 A CB -0.410 18.572 19.000 -0.030 0.000 0.787 363 A HN 0.098 nan 8.150 nan 0.000 0.465 364 V N -0.178 119.733 119.914 -0.006 0.000 2.594 364 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 364 V C 2.536 178.637 176.094 0.012 0.000 1.069 364 V CA 2.215 64.515 62.300 0.000 0.000 1.082 364 V CB -0.292 31.535 31.823 0.007 0.000 0.680 364 V HN 0.715 nan 8.190 nan 0.000 0.469 365 E N -0.461 119.755 120.200 0.027 0.000 2.290 365 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 365 E C 2.177 178.788 176.600 0.019 0.000 0.948 365 E CA 1.030 57.461 56.400 0.051 0.000 0.895 365 E CB 0.193 29.957 29.700 0.107 0.000 0.865 365 E HN 0.582 nan 8.360 nan 0.000 0.486 366 T N 2.430 116.985 114.554 0.003 0.000 2.699 366 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 366 T C 1.820 176.501 174.700 -0.033 0.000 1.036 366 T CA 1.190 63.279 62.100 -0.018 0.000 1.147 366 T CB -0.260 68.597 68.868 -0.018 0.000 0.862 366 T HN 0.056 nan 8.240 nan 0.000 0.446 367 L N 1.571 122.776 121.223 -0.031 0.000 2.127 367 L HA 0.084 4.424 4.340 -0.000 0.000 0.211 367 L C 2.580 179.425 176.870 -0.042 0.000 1.089 367 L CA 1.652 56.468 54.840 -0.040 0.000 0.757 367 L CB -1.274 40.758 42.059 -0.044 0.000 0.899 367 L HN 0.359 nan 8.230 nan 0.000 0.434 368 G N -2.487 106.291 108.800 -0.037 0.000 2.443 368 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 368 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 368 G C 1.454 176.296 174.900 -0.097 0.000 1.131 368 G CA 0.784 45.855 45.100 -0.049 0.000 0.775 368 G HN 0.450 nan 8.290 nan 0.000 0.547 369 S N 0.127 115.762 115.700 -0.109 0.000 2.556 369 S HA 0.147 4.617 4.470 -0.000 0.000 0.216 369 S C 0.787 175.332 174.600 -0.092 0.000 0.970 369 S CA -0.205 57.907 58.200 -0.146 0.000 0.912 369 S CB 0.336 63.435 63.200 -0.168 0.000 0.790 369 S HN 0.236 nan 8.310 nan 0.000 0.504 370 T N 2.664 117.180 114.554 -0.064 0.000 2.834 370 T HA 0.135 4.485 4.350 -0.000 0.000 0.298 370 T C 1.268 175.949 174.700 -0.033 0.000 0.966 370 T CA 0.025 62.100 62.100 -0.042 0.000 1.141 370 T CB 1.021 69.869 68.868 -0.033 0.000 0.905 370 T HN 0.377 nan 8.240 nan 0.000 0.535 371 S N 1.667 117.353 115.700 -0.023 0.000 2.505 371 S HA 0.186 4.656 4.470 -0.000 0.000 0.216 371 S C 0.646 175.250 174.600 0.006 0.000 1.018 371 S CA -0.327 57.866 58.200 -0.011 0.000 0.911 371 S CB 0.477 63.669 63.200 -0.012 0.000 0.818 371 S HN 0.543 nan 8.310 nan 0.000 0.497 372 T N 2.192 116.751 114.554 0.008 0.000 2.991 372 T HA 0.559 4.909 4.350 -0.000 0.000 0.303 372 T C -1.085 173.630 174.700 0.024 0.000 1.015 372 T CA -0.414 61.700 62.100 0.023 0.000 1.007 372 T CB 1.482 70.367 68.868 0.027 0.000 1.034 372 T HN 0.217 nan 8.240 nan 0.000 0.446 373 I N 2.334 122.928 120.570 0.040 0.000 2.339 373 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 373 I C -0.108 176.048 176.117 0.065 0.000 0.994 373 I CA -0.593 60.737 61.300 0.050 0.000 1.191 373 I CB 0.980 39.024 38.000 0.073 0.000 1.343 373 I HN 0.561 nan 8.210 nan 0.000 0.458 374 C N 4.745 124.078 119.300 0.054 0.000 2.246 374 C HA 0.425 4.885 4.460 -0.000 0.000 0.329 374 C C 0.690 175.721 174.990 0.068 0.000 1.221 374 C CA -0.316 58.738 59.018 0.059 0.000 1.697 374 C CB -0.058 27.700 27.740 0.030 0.000 2.312 374 C HN 0.754 nan 8.230 nan 0.000 0.509 375 S N 2.082 117.833 115.700 0.084 0.000 2.473 375 S HA 0.344 4.814 4.470 -0.000 0.000 0.307 375 S C -0.514 174.120 174.600 0.058 0.000 1.094 375 S CA -0.463 57.795 58.200 0.097 0.000 1.070 375 S CB 0.687 63.971 63.200 0.140 0.000 1.019 375 S HN 0.846 nan 8.310 nan 0.000 0.480 376 D N 2.721 123.151 120.400 0.050 0.000 2.378 376 D HA 0.137 4.777 4.640 -0.000 0.000 0.238 376 D C 0.976 177.280 176.300 0.005 0.000 1.180 376 D CA 0.370 54.383 54.000 0.021 0.000 0.895 376 D CB 0.716 41.526 40.800 0.017 0.000 1.192 376 D HN 0.581 nan 8.370 nan 0.000 0.438 377 K N 0.179 120.570 120.400 -0.016 0.000 2.157 377 K HA 0.066 4.386 4.320 -0.000 0.000 0.207 377 K C 0.071 176.649 176.600 -0.036 0.000 1.030 377 K CA 0.131 56.396 56.287 -0.037 0.000 0.965 377 K CB -0.020 32.458 32.500 -0.036 0.000 0.877 377 K HN 0.432 nan 8.250 nan 0.000 0.460 378 T N 1.035 115.571 114.554 -0.029 0.000 2.751 378 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 378 T C 0.533 175.224 174.700 -0.016 0.000 0.919 378 T CA 0.687 62.772 62.100 -0.025 0.000 1.136 378 T CB 0.700 69.552 68.868 -0.027 0.000 0.875 378 T HN 0.669 nan 8.240 nan 0.000 0.532 379 G N 3.386 112.178 108.800 -0.013 0.000 2.176 379 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 379 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 379 G C 0.794 175.705 174.900 0.020 0.000 0.979 379 G CA 0.560 45.661 45.100 0.001 0.000 0.641 379 G HN 0.692 nan 8.290 nan 0.000 0.530 380 T N -0.012 114.551 114.554 0.015 0.000 3.499 380 T HA 0.316 4.666 4.350 -0.000 0.000 0.227 380 T C 2.328 177.000 174.700 -0.047 0.000 0.946 380 T CA 0.780 62.917 62.100 0.061 0.000 1.368 380 T CB -0.197 68.726 68.868 0.091 0.000 1.227 380 T HN 0.109 nan 8.240 nan 0.000 0.398 381 L N 1.809 122.932 121.223 -0.166 0.000 2.156 381 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 381 L C 1.568 178.325 176.870 -0.188 0.000 1.095 381 L CA 0.769 55.412 54.840 -0.328 0.000 0.770 381 L CB -0.654 41.240 42.059 -0.276 0.000 0.914 381 L HN 0.437 nan 8.230 nan 0.000 0.439 382 T N -4.556 109.938 114.554 -0.101 0.000 2.944 382 T HA 0.211 4.561 4.350 -0.000 0.000 0.284 382 T C 0.566 175.246 174.700 -0.033 0.000 1.010 382 T CA -0.729 61.334 62.100 -0.062 0.000 1.025 382 T CB 1.796 70.638 68.868 -0.044 0.000 1.079 382 T HN 0.037 nan 8.240 nan 0.000 0.516 383 Q N 0.503 120.290 119.800 -0.021 0.000 2.297 383 Q HA 0.013 4.353 4.340 -0.000 0.000 0.204 383 Q C 0.277 176.277 176.000 -0.001 0.000 0.962 383 Q CA 0.643 56.443 55.803 -0.005 0.000 0.879 383 Q CB -0.195 28.543 28.738 -0.001 0.000 0.947 383 Q HN 0.844 nan 8.270 nan 0.000 0.462 384 N N 0.662 119.359 118.700 -0.005 0.000 2.771 384 N HA -0.188 4.551 4.740 -0.000 0.000 0.249 384 N C -1.380 174.131 175.510 0.003 0.000 1.069 384 N CA 0.644 53.692 53.050 -0.003 0.000 0.688 384 N CB -0.663 37.822 38.487 -0.004 0.000 0.928 384 N HN 0.290 nan 8.380 nan 0.000 0.551 385 R N 1.048 121.551 120.500 0.005 0.000 2.603 385 R HA 0.231 4.571 4.340 -0.000 0.000 0.280 385 R C -0.723 175.585 176.300 0.012 0.000 1.185 385 R CA -0.799 55.307 56.100 0.012 0.000 1.039 385 R CB 0.353 30.664 30.300 0.019 0.000 1.247 385 R HN 0.184 nan 8.270 nan 0.000 0.413 386 M N 3.011 122.619 119.600 0.013 0.000 2.408 386 M HA 0.081 4.561 4.480 -0.000 0.000 0.363 386 M C -1.040 175.272 176.300 0.020 0.000 1.636 386 M CA 1.337 56.646 55.300 0.016 0.000 1.029 386 M CB 0.366 32.974 32.600 0.013 0.000 2.068 386 M HN 0.528 nan 8.290 nan 0.000 0.466 387 T N 4.483 119.048 114.554 0.018 0.000 2.886 387 T HA 0.495 4.845 4.350 -0.000 0.000 0.292 387 T C -0.761 173.944 174.700 0.010 0.000 1.012 387 T CA -0.790 61.319 62.100 0.015 0.000 0.982 387 T CB 1.394 70.266 68.868 0.006 0.000 1.018 387 T HN 0.379 nan 8.240 nan 0.000 0.451 388 V N 2.860 122.780 119.914 0.009 0.000 2.540 388 V HA 0.288 4.408 4.120 -0.000 0.000 0.297 388 V C 1.148 177.198 176.094 -0.072 0.000 1.024 388 V CA 0.664 62.961 62.300 -0.006 0.000 1.105 388 V CB 0.477 32.298 31.823 -0.002 0.000 0.938 388 V HN 1.177 nan 8.190 nan 0.000 0.482 389 A N 4.128 126.901 122.820 -0.078 0.000 2.013 389 A HA 0.329 4.649 4.320 -0.000 0.000 0.204 389 A C 0.631 177.876 177.584 -0.566 0.000 1.262 389 A CA 0.424 52.316 52.037 -0.241 0.000 0.800 389 A CB 0.136 19.094 19.000 -0.069 0.000 0.909 389 A HN 0.862 nan 8.150 nan 0.000 0.472 390 H N -2.459 116.583 119.070 -0.046 0.000 2.985 390 H HA 0.748 5.304 4.556 -0.000 0.000 0.360 390 H C -1.194 174.138 175.328 0.007 0.000 1.221 390 H CA -0.489 55.531 56.048 -0.047 0.000 1.121 390 H CB 1.457 31.221 29.762 0.002 0.000 1.854 390 H HN 0.214 nan 8.280 nan 0.000 0.551 391 M N 1.049 120.750 119.600 0.169 0.000 2.386 391 M HA 0.232 4.712 4.480 -0.000 0.000 0.293 391 M C -1.669 174.848 176.300 0.363 0.000 1.120 391 M CA -0.335 55.126 55.300 0.269 0.000 0.909 391 M CB 2.603 35.371 32.600 0.280 0.000 1.661 391 M HN 0.580 nan 8.290 nan 0.000 0.452 392 W N 6.295 127.753 121.300 0.263 0.000 2.299 392 W HA 0.698 5.358 4.660 -0.000 0.000 0.319 392 W C -2.006 174.745 176.519 0.388 0.000 1.008 392 W CA -0.761 56.718 57.345 0.223 0.000 1.384 392 W CB 0.686 30.267 29.460 0.202 0.000 1.220 392 W HN 0.539 nan 8.180 nan 0.000 0.402 393 F N 3.125 122.945 119.950 -0.217 0.000 2.645 393 F HA 0.483 5.010 4.527 -0.000 0.000 0.310 393 F C 0.104 175.737 175.800 -0.279 0.000 1.102 393 F CA -1.586 56.220 58.000 -0.322 0.000 0.952 393 F CB 1.268 40.226 39.000 -0.069 0.000 1.326 393 F HN 0.146 nan 8.300 nan 0.000 0.456 394 D N 1.193 121.546 120.400 -0.078 0.000 2.870 394 D HA -0.281 4.359 4.640 -0.000 0.000 0.228 394 D C 0.177 176.380 176.300 -0.161 0.000 1.147 394 D CA 1.640 55.613 54.000 -0.045 0.000 0.757 394 D CB -1.321 39.552 40.800 0.122 0.000 1.091 394 D HN 0.939 nan 8.370 nan 0.000 0.429 395 N N -0.694 117.778 118.700 -0.379 0.000 2.735 395 N HA -0.281 4.459 4.740 -0.000 0.000 0.248 395 N C -0.742 174.796 175.510 0.047 0.000 1.083 395 N CA 1.682 54.679 53.050 -0.089 0.000 0.703 395 N CB -0.267 38.281 38.487 0.100 0.000 1.005 395 N HN 0.583 nan 8.380 nan 0.000 0.550 396 Q N -0.043 119.647 119.800 -0.184 0.000 2.309 396 Q HA 0.524 4.864 4.340 -0.000 0.000 0.273 396 Q C -1.249 174.699 176.000 -0.086 0.000 1.040 396 Q CA -0.717 55.014 55.803 -0.120 0.000 0.834 396 Q CB 1.005 29.567 28.738 -0.293 0.000 1.345 396 Q HN 0.215 nan 8.270 nan 0.000 0.414 397 I N 4.749 125.319 120.570 0.000 0.000 2.352 397 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 397 I C 0.019 176.008 176.117 -0.213 0.000 1.036 397 I CA -0.089 61.232 61.300 0.036 0.000 1.336 397 I CB 0.185 38.211 38.000 0.043 0.000 1.407 397 I HN 0.625 nan 8.210 nan 0.000 0.497 398 H N 5.320 124.352 119.070 -0.062 0.000 2.492 398 H HA 0.353 4.909 4.556 -0.000 0.000 0.345 398 H C -0.230 175.056 175.328 -0.069 0.000 1.136 398 H CA -0.688 55.310 56.048 -0.084 0.000 1.202 398 H CB 2.102 31.768 29.762 -0.161 0.000 1.524 398 H HN 0.549 nan 8.280 nan 0.000 0.506 399 E N 1.540 121.756 120.200 0.027 0.000 2.166 399 E HA 0.646 4.996 4.350 -0.000 0.000 0.275 399 E C -0.946 175.477 176.600 -0.296 0.000 0.941 399 E CA -1.199 55.099 56.400 -0.169 0.000 0.784 399 E CB 1.790 31.451 29.700 -0.066 0.000 1.115 399 E HN 0.558 nan 8.360 nan 0.000 0.399 400 A N 2.724 125.268 122.820 -0.461 0.000 2.257 400 A HA 0.265 4.585 4.320 -0.000 0.000 0.289 400 A C -0.419 177.062 177.584 -0.171 0.000 1.095 400 A CA -0.651 51.172 52.037 -0.356 0.000 0.836 400 A CB 0.761 19.527 19.000 -0.389 0.000 1.111 400 A HN 0.779 nan 8.150 nan 0.000 0.497 401 D N -0.156 120.209 120.400 -0.058 0.000 2.313 401 D HA 0.320 4.960 4.640 -0.000 0.000 0.239 401 D C 1.263 177.540 176.300 -0.038 0.000 1.142 401 D CA 0.573 54.554 54.000 -0.031 0.000 0.847 401 D CB 1.010 41.820 40.800 0.016 0.000 1.082 401 D HN 0.473 nan 8.370 nan 0.000 0.480 402 T N -0.648 113.877 114.554 -0.050 0.000 3.065 402 T HA 0.043 4.393 4.350 -0.000 0.000 0.252 402 T C 1.013 175.703 174.700 -0.016 0.000 1.099 402 T CA 0.058 62.135 62.100 -0.039 0.000 1.063 402 T CB -0.449 68.389 68.868 -0.051 0.000 0.948 402 T HN 0.421 nan 8.240 nan 0.000 0.506 403 T N 0.827 115.375 114.554 -0.011 0.000 2.926 403 T HA 0.228 4.578 4.350 -0.000 0.000 0.307 403 T C 0.874 175.577 174.700 0.005 0.000 1.059 403 T CA -0.407 61.692 62.100 -0.003 0.000 1.122 403 T CB 1.175 70.043 68.868 -0.000 0.000 0.972 403 T HN 0.219 nan 8.240 nan 0.000 0.545 404 E N 2.320 122.524 120.200 0.008 0.000 2.013 404 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 404 E C 1.942 178.550 176.600 0.013 0.000 1.018 404 E CA 1.828 58.236 56.400 0.013 0.000 0.834 404 E CB -0.371 29.338 29.700 0.014 0.000 0.770 404 E HN 0.905 nan 8.360 nan 0.000 0.459 405 N N 1.227 119.935 118.700 0.012 0.000 2.571 405 N HA -0.127 4.613 4.740 -0.000 0.000 0.189 405 N C -0.480 175.037 175.510 0.011 0.000 1.154 405 N CA 0.363 53.420 53.050 0.011 0.000 0.907 405 N CB -0.062 38.431 38.487 0.011 0.000 0.977 405 N HN 0.016 nan 8.380 nan 0.000 0.449 406 Q N -0.554 119.253 119.800 0.013 0.000 2.453 406 Q HA -0.129 4.211 4.340 -0.000 0.000 0.350 406 Q C -0.450 175.558 176.000 0.013 0.000 1.447 406 Q CA 0.591 56.403 55.803 0.015 0.000 0.968 406 Q CB -2.422 26.328 28.738 0.020 0.000 1.175 406 Q HN 0.478 nan 8.270 nan 0.000 0.354 407 S N -1.380 114.326 115.700 0.010 0.000 2.575 407 S HA 0.168 4.638 4.470 -0.000 0.000 0.215 407 S C 1.052 175.658 174.600 0.009 0.000 0.966 407 S CA 0.277 58.483 58.200 0.009 0.000 0.911 407 S CB 0.593 63.799 63.200 0.009 0.000 0.780 407 S HN 0.650 nan 8.310 nan 0.000 0.514 408 G N 1.162 109.968 108.800 0.011 0.000 2.630 408 G HA2 0.750 4.710 3.960 -0.000 0.000 0.223 408 G HA3 0.750 4.710 3.960 -0.000 0.000 0.223 408 G C -0.359 174.552 174.900 0.018 0.000 1.434 408 G CA -0.035 45.073 45.100 0.013 0.000 1.057 408 G HN 0.480 nan 8.290 nan 0.000 0.570 409 A N -2.149 120.687 122.820 0.027 0.000 2.530 409 A HA 0.860 5.180 4.320 -0.000 0.000 0.288 409 A C 0.163 177.777 177.584 0.050 0.000 1.172 409 A CA 0.085 52.138 52.037 0.026 0.000 0.733 409 A CB 0.834 19.844 19.000 0.017 0.000 1.320 409 A HN 1.790 nan 8.150 nan 0.000 0.419 410 A N -0.824 122.003 122.820 0.012 0.000 2.346 410 A HA 0.574 4.894 4.320 -0.000 0.000 0.252 410 A C 0.373 177.970 177.584 0.022 0.000 1.089 410 A CA 0.558 52.574 52.037 -0.036 0.000 0.797 410 A CB -0.319 18.583 19.000 -0.164 0.000 1.047 410 A HN 1.696 nan 8.150 nan 0.000 0.494 411 F N -1.813 118.081 119.950 -0.093 0.000 2.619 411 F HA 0.545 5.072 4.527 -0.000 0.000 0.281 411 F C 0.152 175.939 175.800 -0.022 0.000 1.065 411 F CA 0.170 58.145 58.000 -0.042 0.000 1.304 411 F CB 0.454 39.426 39.000 -0.047 0.000 1.059 411 F HN 0.454 nan 8.300 nan 0.000 0.648 412 D N -0.418 119.424 120.400 -0.929 0.000 2.722 412 D HA 0.210 4.850 4.640 -0.000 0.000 0.231 412 D C -0.347 175.415 176.300 -0.897 0.000 1.218 412 D CA -0.439 53.188 54.000 -0.623 0.000 0.753 412 D CB 1.669 42.292 40.800 -0.295 0.000 1.471 412 D HN 0.009 nan 8.370 nan 0.000 0.455 413 K N 1.145 121.300 120.400 -0.409 0.000 2.705 413 K HA 0.029 4.349 4.320 -0.000 0.000 0.197 413 K C 1.263 177.860 176.600 -0.006 0.000 1.624 413 K CA 1.031 57.185 56.287 -0.221 0.000 1.197 413 K CB -0.064 32.328 32.500 -0.179 0.000 1.603 413 K HN 0.564 nan 8.250 nan 0.000 0.597 414 T N -0.528 114.013 114.554 -0.022 0.000 2.732 414 T HA -0.007 4.342 4.350 -0.000 0.000 0.261 414 T C 1.302 176.039 174.700 0.061 0.000 1.040 414 T CA 0.885 62.998 62.100 0.022 0.000 1.145 414 T CB -0.507 68.369 68.868 0.013 0.000 0.866 414 T HN 0.099 nan 8.240 nan 0.000 0.427 415 S N 1.181 116.938 115.700 0.094 0.000 2.626 415 S HA 0.333 4.802 4.470 -0.000 0.000 0.303 415 S C 1.539 176.191 174.600 0.086 0.000 1.256 415 S CA 0.017 58.290 58.200 0.122 0.000 1.069 415 S CB 0.127 63.465 63.200 0.230 0.000 0.807 415 S HN 0.628 nan 8.310 nan 0.000 0.500 416 A N 4.873 127.719 122.820 0.044 0.000 2.067 416 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 416 A C 2.182 179.737 177.584 -0.049 0.000 1.158 416 A CA 1.895 53.930 52.037 -0.003 0.000 0.661 416 A CB -1.102 17.898 19.000 0.001 0.000 0.801 416 A HN 0.876 nan 8.150 nan 0.000 0.452 417 T N -1.028 113.509 114.554 -0.028 0.000 2.746 417 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 417 T C 1.605 176.125 174.700 -0.301 0.000 1.039 417 T CA 1.156 63.192 62.100 -0.106 0.000 1.142 417 T CB -0.432 68.449 68.868 0.021 0.000 0.866 417 T HN 0.766 nan 8.240 nan 0.000 0.444 418 W N 1.858 122.821 121.300 -0.562 0.000 2.318 418 W HA -0.221 4.439 4.660 -0.000 0.000 0.313 418 W C 2.112 178.375 176.519 -0.426 0.000 1.221 418 W CA 1.269 58.170 57.345 -0.741 0.000 1.266 418 W CB -0.373 28.768 29.460 -0.532 0.000 1.150 418 W HN 0.206 nan 8.180 nan 0.000 0.496 419 S N 0.748 116.131 115.700 -0.528 0.000 2.399 419 S HA -0.129 4.340 4.470 -0.000 0.000 0.231 419 S C 1.992 176.307 174.600 -0.475 0.000 1.022 419 S CA 1.411 59.272 58.200 -0.564 0.000 0.983 419 S CB -0.533 62.501 63.200 -0.277 0.000 0.803 419 S HN 0.419 nan 8.310 nan 0.000 0.480 420 A N 1.014 123.608 122.820 -0.376 0.000 1.897 420 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 420 A C 2.077 179.412 177.584 -0.415 0.000 1.181 420 A CA 1.057 52.906 52.037 -0.314 0.000 0.620 420 A CB -0.585 18.258 19.000 -0.262 0.000 0.821 420 A HN 0.433 nan 8.150 nan 0.000 0.443 421 L N -0.256 120.657 121.223 -0.516 0.000 2.056 421 L HA -0.074 4.265 4.340 -0.000 0.000 0.207 421 L C 2.579 179.065 176.870 -0.639 0.000 1.078 421 L CA 2.471 56.992 54.840 -0.532 0.000 0.749 421 L CB -0.656 41.097 42.059 -0.510 0.000 0.901 421 L HN 0.337 nan 8.230 nan 0.000 0.433 422 S N -0.549 114.572 115.700 -0.964 0.000 2.383 422 S HA -0.293 4.177 4.470 -0.000 0.000 0.229 422 S C 2.337 176.626 174.600 -0.519 0.000 1.030 422 S CA 1.701 59.318 58.200 -0.971 0.000 1.002 422 S CB -0.417 61.948 63.200 -1.391 0.000 0.829 422 S HN 0.579 nan 8.310 nan 0.000 0.467 423 R N 0.165 120.408 120.500 -0.429 0.000 2.092 423 R HA 0.065 4.404 4.340 -0.000 0.000 0.231 423 R C 2.192 178.363 176.300 -0.216 0.000 1.119 423 R CA 1.618 57.550 56.100 -0.280 0.000 0.970 423 R CB -0.337 29.826 30.300 -0.229 0.000 0.864 423 R HN 0.529 nan 8.270 nan 0.000 0.440 424 I N 0.685 121.146 120.570 -0.182 0.000 2.315 424 I HA -0.159 4.011 4.170 -0.000 0.000 0.248 424 I C 2.518 178.654 176.117 0.030 0.000 1.117 424 I CA 1.106 62.379 61.300 -0.045 0.000 1.404 424 I CB -0.375 37.662 38.000 0.062 0.000 1.071 424 I HN 0.248 nan 8.210 nan 0.000 0.419 425 A N 0.777 123.554 122.820 -0.072 0.000 1.972 425 A HA -0.072 4.247 4.320 -0.000 0.000 0.219 425 A C 2.485 180.057 177.584 -0.021 0.000 1.169 425 A CA 1.835 53.863 52.037 -0.016 0.000 0.635 425 A CB -0.577 18.295 19.000 -0.214 0.000 0.810 425 A HN 0.435 nan 8.150 nan 0.000 0.446 426 A N -1.056 121.709 122.820 -0.092 0.000 1.878 426 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 426 A C 1.955 179.496 177.584 -0.073 0.000 1.192 426 A CA 1.239 53.228 52.037 -0.080 0.000 0.619 426 A CB -0.416 18.520 19.000 -0.107 0.000 0.837 426 A HN 0.350 nan 8.150 nan 0.000 0.446 427 L N -0.938 120.206 121.223 -0.130 0.000 2.072 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.205 427 L C 1.864 178.720 176.870 -0.023 0.000 1.079 427 L CA 1.134 55.851 54.840 -0.204 0.000 0.752 427 L CB -0.758 40.950 42.059 -0.585 0.000 0.906 427 L HN 0.471 nan 8.230 nan 0.000 0.436 428 C N 1.900 121.210 119.300 0.015 0.000 2.882 428 C HA 0.302 4.762 4.460 -0.000 0.000 0.492 428 C C 0.416 175.450 174.990 0.074 0.000 1.279 428 C CA -0.417 58.653 59.018 0.087 0.000 1.551 428 C CB -2.661 25.134 27.740 0.092 0.000 2.037 428 C HN 0.377 nan 8.230 nan 0.000 0.625 429 N N 0.552 119.285 118.700 0.054 0.000 2.406 429 N HA 0.328 5.068 4.740 -0.000 0.000 0.283 429 N C -0.008 175.508 175.510 0.010 0.000 1.074 429 N CA -0.421 52.644 53.050 0.024 0.000 0.916 429 N CB 1.077 39.567 38.487 0.006 0.000 1.639 429 N HN 0.414 nan 8.380 nan 0.000 0.485 430 R N 0.833 121.331 120.500 -0.004 0.000 2.432 430 R HA 0.395 4.735 4.340 -0.000 0.000 0.260 430 R C 0.409 176.686 176.300 -0.039 0.000 0.935 430 R CA -0.270 55.824 56.100 -0.010 0.000 1.080 430 R CB 0.655 30.956 30.300 0.002 0.000 1.155 430 R HN 0.475 nan 8.270 nan 0.000 0.531 431 A N 1.262 124.040 122.820 -0.069 0.000 2.371 431 A HA 0.497 4.817 4.320 -0.000 0.000 0.257 431 A C 0.137 177.619 177.584 -0.170 0.000 1.089 431 A CA -0.375 51.592 52.037 -0.116 0.000 0.794 431 A CB 0.584 19.498 19.000 -0.143 0.000 1.029 431 A HN 0.087 nan 8.150 nan 0.000 0.488 432 V N -1.033 118.771 119.914 -0.183 0.000 2.971 432 V HA 0.708 4.828 4.120 -0.000 0.000 0.309 432 V C -0.625 175.350 176.094 -0.198 0.000 1.130 432 V CA -1.104 61.081 62.300 -0.192 0.000 0.964 432 V CB 1.171 32.963 31.823 -0.052 0.000 1.029 432 V HN 0.686 nan 8.190 nan 0.000 0.427 433 F N 2.330 122.286 119.950 0.011 0.000 2.529 433 F HA 0.346 4.873 4.527 -0.000 0.000 0.365 433 F C 1.328 177.133 175.800 0.009 0.000 1.102 433 F CA -0.072 57.934 58.000 0.010 0.000 1.271 433 F CB 0.633 39.639 39.000 0.009 0.000 1.120 433 F HN 0.542 nan 8.300 nan 0.000 0.579 434 Q N 1.973 121.894 119.800 0.202 0.000 2.432 434 Q HA 0.256 4.596 4.340 -0.000 0.000 0.264 434 Q C 0.116 176.179 176.000 0.103 0.000 1.035 434 Q CA -0.272 55.599 55.803 0.113 0.000 0.908 434 Q CB 0.596 29.384 28.738 0.083 0.000 1.280 434 Q HN 0.748 nan 8.270 nan 0.000 0.455 435 A N 0.490 123.350 122.820 0.067 0.000 2.483 435 A HA 0.423 4.743 4.320 -0.000 0.000 0.238 435 A C 1.083 178.688 177.584 0.034 0.000 1.070 435 A CA 0.598 52.664 52.037 0.049 0.000 0.770 435 A CB -0.328 18.693 19.000 0.036 0.000 1.008 435 A HN 1.023 nan 8.150 nan 0.000 0.497 436 G N 0.787 109.599 108.800 0.021 0.000 2.198 436 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.257 436 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.257 436 G C 0.409 175.306 174.900 -0.004 0.000 1.042 436 G CA 0.540 45.643 45.100 0.006 0.000 0.791 436 G HN 0.760 nan 8.290 nan 0.000 0.502 437 Q N -0.315 119.477 119.800 -0.015 0.000 2.352 437 Q HA 0.058 4.398 4.340 -0.000 0.000 0.212 437 Q C 1.579 177.531 176.000 -0.081 0.000 0.888 437 Q CA 0.366 56.145 55.803 -0.039 0.000 0.934 437 Q CB 0.189 28.905 28.738 -0.037 0.000 1.093 437 Q HN 0.607 nan 8.270 nan 0.000 0.523 438 D N 1.505 121.857 120.400 -0.080 0.000 2.280 438 D HA -0.197 4.443 4.640 -0.000 0.000 0.206 438 D C 1.460 177.715 176.300 -0.074 0.000 0.988 438 D CA 0.803 54.748 54.000 -0.092 0.000 0.886 438 D CB 0.030 40.792 40.800 -0.062 0.000 0.914 438 D HN 0.292 nan 8.370 nan 0.000 0.473 439 N N 1.114 119.782 118.700 -0.053 0.000 2.171 439 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 439 N C 0.790 176.274 175.510 -0.044 0.000 1.021 439 N CA 0.476 53.502 53.050 -0.040 0.000 0.854 439 N CB 0.479 38.950 38.487 -0.026 0.000 0.994 439 N HN 0.085 nan 8.380 nan 0.000 0.426 440 V N 0.186 120.070 119.914 -0.050 0.000 2.785 440 V HA 0.494 4.614 4.120 -0.000 0.000 0.300 440 V C -2.415 173.640 176.094 -0.064 0.000 1.062 440 V CA -1.922 60.352 62.300 -0.044 0.000 1.029 440 V CB 0.575 32.380 31.823 -0.030 0.000 1.024 440 V HN -0.006 nan 8.190 nan 0.000 0.477 441 P HA 0.221 nan 4.420 nan 0.000 0.269 441 P C 1.181 178.444 177.300 -0.062 0.000 1.215 441 P CA -0.320 62.752 63.100 -0.047 0.000 0.780 441 P CB 0.401 32.089 31.700 -0.020 0.000 0.898 442 I N 1.512 122.037 120.570 -0.076 0.000 2.113 442 I HA -0.249 3.920 4.170 -0.000 0.000 0.242 442 I C 2.059 178.196 176.117 0.033 0.000 1.064 442 I CA 1.984 63.234 61.300 -0.083 0.000 1.320 442 I CB -1.388 36.594 38.000 -0.030 0.000 1.028 442 I HN 0.426 nan 8.210 nan 0.000 0.406 443 L N -0.065 121.185 121.223 0.046 0.000 2.362 443 L HA -0.156 4.184 4.340 -0.000 0.000 0.219 443 L C 2.206 179.112 176.870 0.059 0.000 1.134 443 L CA 1.043 55.923 54.840 0.067 0.000 0.807 443 L CB -0.406 41.681 42.059 0.047 0.000 0.927 443 L HN 0.263 nan 8.230 nan 0.000 0.447 444 K N 0.003 120.426 120.400 0.038 0.000 2.361 444 K HA 0.066 4.386 4.320 -0.000 0.000 0.194 444 K C 0.445 177.070 176.600 0.043 0.000 1.032 444 K CA -0.164 56.142 56.287 0.032 0.000 1.048 444 K CB 0.292 32.801 32.500 0.015 0.000 0.842 444 K HN 0.333 nan 8.250 nan 0.000 0.526 445 R N 0.875 121.408 120.500 0.055 0.000 2.539 445 R HA 0.252 4.592 4.340 -0.000 0.000 0.275 445 R C -0.502 175.882 176.300 0.140 0.000 1.077 445 R CA -0.362 55.782 56.100 0.074 0.000 1.097 445 R CB 0.663 30.972 30.300 0.015 0.000 1.018 445 R HN -0.268 nan 8.270 nan 0.000 0.483 446 S N 1.291 117.060 115.700 0.115 0.000 2.549 446 S HA 0.205 4.675 4.470 -0.000 0.000 0.279 446 S C -0.159 174.526 174.600 0.142 0.000 1.321 446 S CA -0.668 57.593 58.200 0.102 0.000 1.054 446 S CB 1.174 64.413 63.200 0.065 0.000 0.899 446 S HN 0.379 nan 8.310 nan 0.000 0.497 447 V N 2.215 122.179 119.914 0.084 0.000 2.588 447 V HA 0.608 4.728 4.120 -0.000 0.000 0.304 447 V C 0.084 176.174 176.094 -0.006 0.000 1.042 447 V CA -1.049 61.265 62.300 0.023 0.000 0.877 447 V CB 1.680 33.470 31.823 -0.055 0.000 0.996 447 V HN 0.969 nan 8.190 nan 0.000 0.425 448 A N 3.533 126.342 122.820 -0.018 0.000 2.350 448 A HA 0.828 5.148 4.320 -0.000 0.000 0.293 448 A C 0.615 178.174 177.584 -0.042 0.000 1.231 448 A CA 0.671 52.697 52.037 -0.019 0.000 0.883 448 A CB -0.289 18.705 19.000 -0.008 0.000 1.133 448 A HN 1.747 nan 8.150 nan 0.000 0.533 449 G N 2.404 111.184 108.800 -0.034 0.000 2.352 449 G HA2 0.436 4.396 3.960 -0.000 0.000 0.302 449 G HA3 0.436 4.396 3.960 -0.000 0.000 0.302 449 G C -1.121 173.758 174.900 -0.035 0.000 1.370 449 G CA -0.284 44.792 45.100 -0.040 0.000 0.918 449 G HN 1.069 nan 8.290 nan 0.000 0.610 450 D N -0.113 120.263 120.400 -0.040 0.000 2.361 450 D HA 0.528 5.168 4.640 -0.000 0.000 0.239 450 D C 1.589 177.865 176.300 -0.040 0.000 1.200 450 D CA 0.561 54.536 54.000 -0.041 0.000 0.915 450 D CB 1.121 41.885 40.800 -0.059 0.000 1.170 450 D HN 0.960 nan 8.370 nan 0.000 0.444 451 A N 1.264 124.066 122.820 -0.031 0.000 1.940 451 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 451 A C 2.165 179.737 177.584 -0.019 0.000 1.176 451 A CA 2.319 54.345 52.037 -0.019 0.000 0.631 451 A CB -1.270 17.724 19.000 -0.010 0.000 0.814 451 A HN 0.693 nan 8.150 nan 0.000 0.446 452 S N -0.191 115.490 115.700 -0.032 0.000 2.368 452 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 452 S C 1.686 176.280 174.600 -0.010 0.000 1.029 452 S CA 1.261 59.450 58.200 -0.019 0.000 0.988 452 S CB -0.524 62.648 63.200 -0.046 0.000 0.838 452 S HN 0.650 nan 8.310 nan 0.000 0.462 453 E N 1.514 121.692 120.200 -0.037 0.000 2.150 453 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 453 E C 2.297 178.867 176.600 -0.050 0.000 0.985 453 E CA 1.300 57.680 56.400 -0.034 0.000 0.814 453 E CB -0.255 29.414 29.700 -0.051 0.000 0.752 453 E HN 0.670 nan 8.360 nan 0.000 0.466 454 S N 1.386 117.053 115.700 -0.055 0.000 2.368 454 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 454 S C 2.250 176.832 174.600 -0.029 0.000 1.029 454 S CA 0.943 59.101 58.200 -0.071 0.000 0.988 454 S CB -0.230 62.944 63.200 -0.044 0.000 0.838 454 S HN 0.355 nan 8.310 nan 0.000 0.462 455 A N 1.965 124.786 122.820 0.001 0.000 1.883 455 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 455 A C 2.195 179.801 177.584 0.037 0.000 1.186 455 A CA 1.388 53.441 52.037 0.027 0.000 0.624 455 A CB -0.901 18.118 19.000 0.032 0.000 0.822 455 A HN 0.448 nan 8.150 nan 0.000 0.444 456 L N -0.819 120.426 121.223 0.037 0.000 2.046 456 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 456 L C 2.623 179.506 176.870 0.021 0.000 1.077 456 L CA 1.010 55.877 54.840 0.045 0.000 0.747 456 L CB -0.510 41.599 42.059 0.083 0.000 0.896 456 L HN 0.457 nan 8.230 nan 0.000 0.432 457 L N 0.187 121.396 121.223 -0.024 0.000 1.989 457 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 457 L C 2.638 179.533 176.870 0.042 0.000 1.071 457 L CA 1.843 56.639 54.840 -0.074 0.000 0.749 457 L CB -0.208 41.687 42.059 -0.274 0.000 0.890 457 L HN 0.286 nan 8.230 nan 0.000 0.431 458 K N -1.181 119.271 120.400 0.086 0.000 2.211 458 K HA -0.192 4.128 4.320 -0.000 0.000 0.203 458 K C 2.149 178.843 176.600 0.157 0.000 1.050 458 K CA 1.249 57.659 56.287 0.205 0.000 0.945 458 K CB -0.340 32.269 32.500 0.181 0.000 0.732 458 K HN 0.486 nan 8.250 nan 0.000 0.451 459 C N 1.089 120.460 119.300 0.118 0.000 2.453 459 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 459 C C 2.377 177.477 174.990 0.182 0.000 1.262 459 C CA 0.460 59.559 59.018 0.135 0.000 1.718 459 C CB -0.631 27.177 27.740 0.114 0.000 2.031 459 C HN 0.320 nan 8.230 nan 0.000 0.480 460 I N 0.970 121.623 120.570 0.140 0.000 2.286 460 I HA -0.060 4.109 4.170 -0.000 0.000 0.245 460 I C 2.458 178.648 176.117 0.123 0.000 1.104 460 I CA 1.559 62.929 61.300 0.116 0.000 1.397 460 I CB -1.923 36.079 38.000 0.004 0.000 1.072 460 I HN 0.420 nan 8.210 nan 0.000 0.417 461 E N 1.230 121.518 120.200 0.146 0.000 2.171 461 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 461 E C 2.074 178.747 176.600 0.122 0.000 0.997 461 E CA 1.231 57.730 56.400 0.166 0.000 0.810 461 E CB -0.184 29.705 29.700 0.315 0.000 0.738 461 E HN 0.241 nan 8.360 nan 0.000 0.467 462 L N -0.272 121.031 121.223 0.133 0.000 2.068 462 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 462 L C 2.228 179.163 176.870 0.109 0.000 1.076 462 L CA 1.750 56.654 54.840 0.107 0.000 0.753 462 L CB -0.447 41.681 42.059 0.114 0.000 0.910 462 L HN 0.583 nan 8.230 nan 0.000 0.439 463 C N -4.627 114.769 119.300 0.161 0.000 2.906 463 C HA 0.324 4.784 4.460 -0.000 0.000 0.274 463 C C 1.648 176.741 174.990 0.173 0.000 1.257 463 C CA -0.503 58.617 59.018 0.172 0.000 1.695 463 C CB -1.612 26.276 27.740 0.247 0.000 1.958 463 C HN 0.554 nan 8.230 nan 0.000 0.619 464 C N 1.181 120.559 119.300 0.130 0.000 3.657 464 C HA 0.654 5.114 4.460 -0.000 0.000 0.291 464 C C 1.620 176.632 174.990 0.037 0.000 1.572 464 C CA 0.385 59.444 59.018 0.069 0.000 1.818 464 C CB -1.212 26.536 27.740 0.013 0.000 2.903 464 C HN 1.123 nan 8.230 nan 0.000 0.632 465 G N 1.409 110.238 108.800 0.048 0.000 2.698 465 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.233 465 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.233 465 G C -0.013 174.913 174.900 0.043 0.000 1.352 465 G CA 0.020 45.140 45.100 0.034 0.000 0.879 465 G HN 0.873 nan 8.290 nan 0.000 0.567 466 S N -0.918 114.803 115.700 0.036 0.000 2.885 466 S HA 0.163 4.633 4.470 -0.000 0.000 0.334 466 S C 1.734 176.368 174.600 0.058 0.000 1.224 466 S CA 0.476 58.709 58.200 0.055 0.000 1.080 466 S CB 0.602 63.824 63.200 0.036 0.000 0.801 466 S HN 1.535 nan 8.310 nan 0.000 0.510 467 V N 5.862 125.834 119.914 0.098 0.000 2.453 467 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 467 V C 2.623 178.743 176.094 0.044 0.000 1.048 467 V CA 2.016 64.352 62.300 0.060 0.000 1.049 467 V CB -0.797 31.067 31.823 0.069 0.000 0.672 467 V HN 0.972 nan 8.190 nan 0.000 0.457 468 Q N 0.204 120.048 119.800 0.074 0.000 2.152 468 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 468 Q C 2.197 178.217 176.000 0.034 0.000 0.985 468 Q CA 2.063 57.900 55.803 0.057 0.000 0.863 468 Q CB -0.412 28.371 28.738 0.076 0.000 0.904 468 Q HN 0.685 nan 8.270 nan 0.000 0.422 469 G N 0.591 109.408 108.800 0.028 0.000 2.421 469 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 469 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 469 G C 1.345 176.244 174.900 -0.001 0.000 1.171 469 G CA 0.863 45.970 45.100 0.012 0.000 0.775 469 G HN 0.301 nan 8.290 nan 0.000 0.543 470 M N -0.483 119.110 119.600 -0.012 0.000 2.213 470 M HA 0.047 4.527 4.480 -0.000 0.000 0.263 470 M C 2.555 178.837 176.300 -0.030 0.000 1.062 470 M CA 1.008 56.285 55.300 -0.037 0.000 1.105 470 M CB 0.027 32.588 32.600 -0.064 0.000 1.385 470 M HN 0.043 nan 8.290 nan 0.000 0.417 471 R N -0.181 120.316 120.500 -0.006 0.000 2.299 471 R HA -0.039 4.301 4.340 -0.000 0.000 0.197 471 R C 0.925 177.248 176.300 0.039 0.000 0.971 471 R CA 0.550 56.664 56.100 0.024 0.000 1.030 471 R CB 0.077 30.395 30.300 0.031 0.000 0.932 471 R HN 0.260 nan 8.270 nan 0.000 0.477 472 D N -0.515 119.900 120.400 0.025 0.000 2.324 472 D HA 0.041 4.681 4.640 -0.000 0.000 0.212 472 D C 1.464 177.777 176.300 0.023 0.000 0.984 472 D CA 0.671 54.687 54.000 0.026 0.000 0.885 472 D CB 0.253 41.065 40.800 0.020 0.000 0.996 472 D HN 0.037 nan 8.370 nan 0.000 0.505 473 R N 0.426 120.933 120.500 0.012 0.000 2.148 473 R HA 0.133 4.473 4.340 -0.000 0.000 0.223 473 R C 0.170 176.480 176.300 0.015 0.000 1.088 473 R CA 0.617 56.720 56.100 0.005 0.000 0.985 473 R CB 0.173 30.465 30.300 -0.012 0.000 0.880 473 R HN 0.076 nan 8.270 nan 0.000 0.451 474 N N 1.355 120.072 118.700 0.029 0.000 2.904 474 N HA 0.216 4.956 4.740 -0.000 0.000 0.257 474 N C -2.777 172.831 175.510 0.164 0.000 1.363 474 N CA -1.375 51.716 53.050 0.069 0.000 0.856 474 N CB 1.711 40.197 38.487 -0.000 0.000 1.166 474 N HN -0.112 nan 8.380 nan 0.000 0.499 475 P HA -0.032 nan 4.420 nan 0.000 0.263 475 P C -0.032 177.281 177.300 0.023 0.000 1.195 475 P CA 0.254 63.401 63.100 0.078 0.000 0.762 475 P CB 0.684 32.415 31.700 0.052 0.000 0.799 476 K N 4.137 124.492 120.400 -0.074 0.000 2.339 476 K HA 0.130 4.450 4.320 -0.000 0.000 0.286 476 K C 1.040 177.483 176.600 -0.261 0.000 1.050 476 K CA -0.109 55.926 56.287 -0.420 0.000 0.956 476 K CB 0.131 32.404 32.500 -0.378 0.000 0.990 476 K HN 0.416 nan 8.250 nan 0.000 0.475 477 I N 1.045 121.425 120.570 -0.317 0.000 3.172 477 I HA 0.130 4.300 4.170 -0.000 0.000 0.278 477 I C -0.245 175.755 176.117 -0.195 0.000 1.174 477 I CA -0.317 60.859 61.300 -0.206 0.000 1.445 477 I CB 0.592 38.473 38.000 -0.198 0.000 1.175 477 I HN 0.078 nan 8.210 nan 0.000 0.447 478 V N 1.676 121.414 119.914 -0.294 0.000 3.012 478 V HA 0.510 4.630 4.120 -0.000 0.000 0.307 478 V C -1.196 174.760 176.094 -0.230 0.000 1.166 478 V CA -0.576 61.600 62.300 -0.206 0.000 0.974 478 V CB 2.087 33.813 31.823 -0.162 0.000 1.040 478 V HN 0.532 nan 8.190 nan 0.000 0.428 479 E N 2.975 123.114 120.200 -0.102 0.000 2.390 479 E HA 0.729 5.079 4.350 -0.000 0.000 0.277 479 E C -1.831 174.791 176.600 0.037 0.000 0.939 479 E CA -0.961 55.411 56.400 -0.048 0.000 0.769 479 E CB 2.843 32.515 29.700 -0.048 0.000 1.251 479 E HN 0.531 nan 8.360 nan 0.000 0.450 480 I N 2.596 123.215 120.570 0.081 0.000 2.405 480 I HA 0.307 4.476 4.170 -0.000 0.000 0.280 480 I C -2.224 173.916 176.117 0.037 0.000 1.027 480 I CA -2.444 58.900 61.300 0.073 0.000 1.161 480 I CB 1.506 39.580 38.000 0.123 0.000 1.300 480 I HN 0.353 nan 8.210 nan 0.000 0.463 481 P HA -0.064 nan 4.420 nan 0.000 0.269 481 P C -0.237 177.078 177.300 0.025 0.000 1.215 481 P CA -0.153 62.973 63.100 0.043 0.000 0.780 481 P CB 0.549 32.269 31.700 0.034 0.000 0.898 482 F N 3.039 122.946 119.950 -0.071 0.000 2.580 482 F HA -0.064 4.463 4.527 -0.000 0.000 0.398 482 F C 0.428 176.156 175.800 -0.120 0.000 1.023 482 F CA 0.923 58.861 58.000 -0.103 0.000 1.188 482 F CB -0.260 38.703 39.000 -0.062 0.000 1.005 482 F HN 0.204 nan 8.300 nan 0.000 0.546 483 N N 3.509 121.823 118.700 -0.643 0.000 2.405 483 N HA 0.136 4.876 4.740 -0.000 0.000 0.299 483 N C 0.712 175.897 175.510 -0.541 0.000 1.075 483 N CA -0.314 52.462 53.050 -0.457 0.000 0.884 483 N CB 1.812 40.062 38.487 -0.395 0.000 1.194 483 N HN 0.598 nan 8.380 nan 0.000 0.491 484 S N 0.583 116.135 115.700 -0.247 0.000 2.387 484 S HA -0.194 4.276 4.470 -0.000 0.000 0.230 484 S C 1.776 176.266 174.600 -0.183 0.000 1.035 484 S CA 2.308 60.416 58.200 -0.153 0.000 1.014 484 S CB -0.087 63.074 63.200 -0.064 0.000 0.836 484 S HN 0.708 nan 8.310 nan 0.000 0.466 485 T N 0.045 114.480 114.554 -0.198 0.000 2.852 485 T HA 0.076 4.426 4.350 -0.000 0.000 0.256 485 T C 1.572 176.151 174.700 -0.202 0.000 1.038 485 T CA 1.476 63.481 62.100 -0.158 0.000 1.141 485 T CB -0.589 68.209 68.868 -0.117 0.000 0.869 485 T HN 0.594 nan 8.240 nan 0.000 0.439 486 N N 0.428 118.924 118.700 -0.341 0.000 2.188 486 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 486 N C 0.756 176.053 175.510 -0.355 0.000 1.018 486 N CA 0.756 53.542 53.050 -0.439 0.000 0.858 486 N CB -0.099 37.811 38.487 -0.962 0.000 0.989 486 N HN 0.233 nan 8.380 nan 0.000 0.426 487 K N -1.147 118.914 120.400 -0.566 0.000 3.209 487 K HA -0.216 4.104 4.320 -0.000 0.000 0.289 487 K C -1.524 174.922 176.600 -0.257 0.000 1.191 487 K CA 1.007 57.006 56.287 -0.480 0.000 0.851 487 K CB -1.734 30.719 32.500 -0.078 0.000 1.242 487 K HN 0.608 nan 8.250 nan 0.000 0.480 488 Y N -2.549 117.477 120.300 -0.457 0.000 2.638 488 Y HA 0.658 5.208 4.550 -0.000 0.000 0.335 488 Y C -0.979 174.907 175.900 -0.023 0.000 1.155 488 Y CA -1.187 56.869 58.100 -0.075 0.000 1.046 488 Y CB 1.286 39.728 38.460 -0.030 0.000 1.303 488 Y HN 0.015 nan 8.280 nan 0.000 0.460 489 Q N 2.627 122.663 119.800 0.393 0.000 2.304 489 Q HA 0.679 5.019 4.340 -0.000 0.000 0.270 489 Q C -2.085 174.106 176.000 0.318 0.000 1.035 489 Q CA -1.080 54.891 55.803 0.279 0.000 0.781 489 Q CB 2.104 31.006 28.738 0.273 0.000 1.261 489 Q HN 0.835 nan 8.270 nan 0.000 0.444 490 L N 0.301 121.703 121.223 0.298 0.000 2.323 490 L HA 0.913 5.253 4.340 -0.000 0.000 0.265 490 L C -0.899 176.037 176.870 0.110 0.000 1.012 490 L CA -0.448 54.524 54.840 0.220 0.000 0.820 490 L CB 2.427 44.658 42.059 0.286 0.000 1.334 490 L HN 0.445 nan 8.230 nan 0.000 0.427 491 S N 1.465 117.196 115.700 0.052 0.000 2.536 491 S HA 0.796 5.265 4.470 -0.000 0.000 0.271 491 S C -0.926 173.600 174.600 -0.124 0.000 1.134 491 S CA -0.414 57.770 58.200 -0.027 0.000 0.897 491 S CB 1.460 64.775 63.200 0.190 0.000 1.094 491 S HN 0.601 nan 8.310 nan 0.000 0.473 492 I N 3.624 123.952 120.570 -0.404 0.000 2.389 492 I HA 0.480 4.650 4.170 -0.000 0.000 0.288 492 I C -0.331 175.475 176.117 -0.518 0.000 0.999 492 I CA -0.497 60.495 61.300 -0.513 0.000 1.129 492 I CB 1.212 38.604 38.000 -1.012 0.000 1.288 492 I HN 0.524 nan 8.210 nan 0.000 0.444 493 H N 4.466 123.409 119.070 -0.212 0.000 2.747 493 H HA 0.381 4.937 4.556 -0.000 0.000 0.371 493 H C -0.918 174.430 175.328 0.033 0.000 1.161 493 H CA -0.898 55.097 56.048 -0.088 0.000 1.167 493 H CB 2.188 31.910 29.762 -0.066 0.000 1.732 493 H HN 0.513 nan 8.280 nan 0.000 0.544 494 E N 2.097 122.418 120.200 0.202 0.000 2.129 494 E HA -0.020 4.330 4.350 -0.000 0.000 0.283 494 E C 0.063 176.720 176.600 0.094 0.000 1.080 494 E CA -0.409 56.110 56.400 0.198 0.000 0.867 494 E CB 0.646 30.448 29.700 0.170 0.000 1.056 494 E HN 0.263 nan 8.360 nan 0.000 0.404 495 N N 3.471 122.197 118.700 0.043 0.000 2.294 495 N HA -0.138 4.602 4.740 -0.000 0.000 0.263 495 N C 1.101 176.602 175.510 -0.016 0.000 1.281 495 N CA 0.429 53.472 53.050 -0.011 0.000 0.846 495 N CB 0.679 39.135 38.487 -0.051 0.000 1.061 495 N HN 0.590 nan 8.380 nan 0.000 0.478 496 E N 2.828 123.016 120.200 -0.021 0.000 2.265 496 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 496 E C 0.148 176.731 176.600 -0.028 0.000 0.996 496 E CA 0.788 57.175 56.400 -0.020 0.000 0.832 496 E CB 0.065 29.748 29.700 -0.028 0.000 0.756 496 E HN 0.449 nan 8.360 nan 0.000 0.491 497 K N 1.363 121.740 120.400 -0.038 0.000 2.484 497 K HA 0.016 4.335 4.320 -0.000 0.000 0.280 497 K C 0.411 176.988 176.600 -0.038 0.000 1.013 497 K CA 0.208 56.471 56.287 -0.040 0.000 1.029 497 K CB 0.828 33.299 32.500 -0.048 0.000 0.902 497 K HN -0.047 nan 8.250 nan 0.000 0.481 498 S N 1.779 117.459 115.700 -0.032 0.000 2.387 498 S HA -0.080 4.390 4.470 -0.000 0.000 0.226 498 S C 1.474 176.053 174.600 -0.035 0.000 1.026 498 S CA 0.991 59.173 58.200 -0.030 0.000 0.972 498 S CB 0.133 63.320 63.200 -0.023 0.000 0.814 498 S HN 0.662 nan 8.310 nan 0.000 0.477 499 S N 1.054 116.733 115.700 -0.035 0.000 2.547 499 S HA 0.044 4.514 4.470 -0.000 0.000 0.235 499 S C 1.453 176.025 174.600 -0.047 0.000 0.980 499 S CA 0.641 58.819 58.200 -0.037 0.000 0.941 499 S CB -0.030 63.150 63.200 -0.033 0.000 0.763 499 S HN 0.510 nan 8.310 nan 0.000 0.532 500 E N -0.152 120.014 120.200 -0.056 0.000 2.476 500 E HA 0.151 4.501 4.350 -0.000 0.000 0.193 500 E C 0.746 177.293 176.600 -0.088 0.000 0.966 500 E CA 0.312 56.669 56.400 -0.073 0.000 1.114 500 E CB 0.115 29.767 29.700 -0.079 0.000 1.151 500 E HN 0.203 nan 8.360 nan 0.000 0.487 501 S N 0.604 116.257 115.700 -0.079 0.000 3.402 501 S HA -0.230 4.239 4.470 -0.000 0.000 0.329 501 S C 0.404 174.908 174.600 -0.160 0.000 1.194 501 S CA 0.895 59.044 58.200 -0.085 0.000 0.951 501 S CB -0.846 62.313 63.200 -0.068 0.000 0.975 501 S HN 0.223 nan 8.310 nan 0.000 0.574 502 R N -0.691 119.702 120.500 -0.179 0.000 2.542 502 R HA 0.434 4.774 4.340 -0.000 0.000 0.227 502 R C -0.433 175.724 176.300 -0.238 0.000 1.257 502 R CA -0.278 55.642 56.100 -0.300 0.000 1.053 502 R CB 0.304 30.489 30.300 -0.191 0.000 1.463 502 R HN 0.467 nan 8.270 nan 0.000 0.550 503 Y N 0.953 121.228 120.300 -0.041 0.000 2.342 503 Y HA 0.289 4.839 4.550 -0.000 0.000 0.338 503 Y C -0.062 175.723 175.900 -0.191 0.000 0.965 503 Y CA -1.034 57.006 58.100 -0.100 0.000 1.159 503 Y CB 1.582 40.007 38.460 -0.058 0.000 1.157 503 Y HN 0.272 nan 8.280 nan 0.000 0.486 504 L N 5.453 126.674 121.223 -0.002 0.000 2.309 504 L HA 0.546 4.886 4.340 -0.000 0.000 0.282 504 L C -1.380 175.426 176.870 -0.107 0.000 1.036 504 L CA -0.837 53.945 54.840 -0.098 0.000 0.806 504 L CB 1.264 43.274 42.059 -0.082 0.000 1.220 504 L HN 0.586 nan 8.230 nan 0.000 0.429 505 L N 6.830 127.982 121.223 -0.118 0.000 2.296 505 L HA 0.758 5.098 4.340 -0.000 0.000 0.286 505 L C -0.858 176.033 176.870 0.035 0.000 1.023 505 L CA -0.381 54.413 54.840 -0.077 0.000 0.812 505 L CB 1.595 43.623 42.059 -0.051 0.000 1.223 505 L HN 0.520 nan 8.230 nan 0.000 0.421 506 V N 3.671 123.618 119.914 0.055 0.000 2.823 506 V HA 0.871 4.991 4.120 -0.000 0.000 0.312 506 V C -0.503 175.638 176.094 0.079 0.000 1.072 506 V CA -0.685 61.667 62.300 0.087 0.000 0.937 506 V CB 1.665 33.521 31.823 0.055 0.000 1.013 506 V HN 1.044 nan 8.190 nan 0.000 0.430 507 M N 2.624 122.262 119.600 0.063 0.000 2.520 507 M HA 0.806 5.286 4.480 -0.000 0.000 0.280 507 M C -1.334 174.943 176.300 -0.038 0.000 1.232 507 M CA -0.699 54.630 55.300 0.049 0.000 0.892 507 M CB 2.585 35.204 32.600 0.031 0.000 1.728 507 M HN 0.888 nan 8.290 nan 0.000 0.475 508 K N 1.183 121.547 120.400 -0.060 0.000 2.482 508 K HA 1.031 5.351 4.320 -0.000 0.000 0.257 508 K C -0.827 175.749 176.600 -0.039 0.000 0.969 508 K CA -0.559 55.547 56.287 -0.302 0.000 0.842 508 K CB 2.637 34.724 32.500 -0.689 0.000 1.359 508 K HN 1.168 nan 8.250 nan 0.000 0.441 509 G N 0.042 108.798 108.800 -0.073 0.000 2.335 509 G HA2 0.427 4.387 3.960 -0.000 0.000 0.291 509 G HA3 0.427 4.387 3.960 -0.000 0.000 0.291 509 G C -1.510 173.462 174.900 0.120 0.000 1.261 509 G CA -0.568 44.646 45.100 0.190 0.000 0.871 509 G HN 0.763 nan 8.290 nan 0.000 0.491 510 A N 0.698 123.637 122.820 0.198 0.000 2.566 510 A HA 0.510 4.830 4.320 -0.000 0.000 0.245 510 A C -0.697 176.946 177.584 0.099 0.000 1.056 510 A CA 0.495 52.617 52.037 0.143 0.000 0.757 510 A CB -0.068 19.027 19.000 0.159 0.000 0.979 510 A HN 0.334 nan 8.150 nan 0.000 0.508 511 P HA -0.253 nan 4.420 nan 0.000 0.216 511 P C 1.454 178.865 177.300 0.185 0.000 1.157 511 P CA 1.830 64.963 63.100 0.054 0.000 0.880 511 P CB 0.136 31.507 31.700 -0.549 0.000 0.791 512 E N -0.320 119.915 120.200 0.058 0.000 2.106 512 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 512 E C 1.887 178.523 176.600 0.061 0.000 0.984 512 E CA 1.142 57.606 56.400 0.107 0.000 0.806 512 E CB -0.904 28.876 29.700 0.133 0.000 0.750 512 E HN 0.170 nan 8.360 nan 0.000 0.458 513 R N 0.493 121.038 120.500 0.076 0.000 2.092 513 R HA 0.023 4.363 4.340 -0.000 0.000 0.231 513 R C 2.413 178.736 176.300 0.038 0.000 1.119 513 R CA 0.752 56.889 56.100 0.062 0.000 0.970 513 R CB -0.478 29.881 30.300 0.097 0.000 0.864 513 R HN 0.289 nan 8.270 nan 0.000 0.440 514 I N 0.996 121.610 120.570 0.074 0.000 2.315 514 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 514 I C 2.406 178.574 176.117 0.086 0.000 1.117 514 I CA 0.736 62.088 61.300 0.086 0.000 1.404 514 I CB -1.022 37.078 38.000 0.166 0.000 1.071 514 I HN 0.111 nan 8.210 nan 0.000 0.419 515 L N 1.058 122.276 121.223 -0.008 0.000 2.046 515 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 515 L C 1.538 178.321 176.870 -0.145 0.000 1.077 515 L CA 1.967 56.665 54.840 -0.237 0.000 0.747 515 L CB -0.870 40.846 42.059 -0.572 0.000 0.896 515 L HN 0.261 nan 8.230 nan 0.000 0.432 516 D N -0.037 120.313 120.400 -0.084 0.000 2.378 516 D HA -0.078 4.561 4.640 -0.000 0.000 0.227 516 D C 1.279 177.542 176.300 -0.062 0.000 1.012 516 D CA 0.508 54.470 54.000 -0.063 0.000 0.905 516 D CB 0.126 40.905 40.800 -0.035 0.000 0.895 516 D HN 0.421 nan 8.370 nan 0.000 0.532 517 R N -0.693 119.770 120.500 -0.062 0.000 2.600 517 R HA 0.229 4.569 4.340 -0.000 0.000 0.392 517 R C -0.420 175.845 176.300 -0.058 0.000 1.032 517 R CA -0.166 55.885 56.100 -0.081 0.000 1.139 517 R CB 0.762 30.988 30.300 -0.124 0.000 1.400 517 R HN -0.000 nan 8.270 nan 0.000 0.566 518 C N -0.019 119.263 119.300 -0.029 0.000 2.507 518 C HA 0.370 4.830 4.460 -0.000 0.000 0.319 518 C C 1.550 176.536 174.990 -0.008 0.000 1.208 518 C CA -0.544 58.484 59.018 0.016 0.000 1.619 518 C CB 1.918 29.721 27.740 0.106 0.000 2.230 518 C HN 0.480 nan 8.230 nan 0.000 0.492 519 S N 0.166 115.876 115.700 0.018 0.000 2.613 519 S HA 0.160 4.630 4.470 -0.000 0.000 0.235 519 S C 0.426 175.055 174.600 0.049 0.000 1.073 519 S CA 0.167 58.377 58.200 0.017 0.000 0.899 519 S CB -0.070 63.136 63.200 0.010 0.000 0.818 519 S HN 0.858 nan 8.310 nan 0.000 0.484 520 T N 0.395 115.003 114.554 0.090 0.000 2.930 520 T HA 0.797 5.147 4.350 -0.000 0.000 0.290 520 T C -0.762 174.025 174.700 0.146 0.000 1.052 520 T CA -0.888 61.278 62.100 0.109 0.000 1.017 520 T CB 1.596 70.540 68.868 0.126 0.000 1.137 520 T HN 0.246 nan 8.240 nan 0.000 0.511 521 I N 1.396 122.048 120.570 0.135 0.000 2.466 521 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 521 I C -0.466 175.727 176.117 0.127 0.000 1.026 521 I CA -1.080 60.319 61.300 0.166 0.000 1.078 521 I CB 2.227 40.318 38.000 0.152 0.000 1.249 521 I HN 0.557 nan 8.210 nan 0.000 0.429 522 L N 6.962 128.255 121.223 0.117 0.000 2.505 522 L HA 0.165 4.504 4.340 -0.000 0.000 0.279 522 L C -0.480 176.429 176.870 0.065 0.000 1.211 522 L CA -0.211 54.675 54.840 0.077 0.000 1.059 522 L CB 0.093 42.167 42.059 0.024 0.000 1.340 522 L HN 0.457 nan 8.230 nan 0.000 0.447 523 L N 5.049 126.312 121.223 0.067 0.000 2.260 523 L HA 0.256 4.596 4.340 -0.000 0.000 0.289 523 L C 1.114 178.021 176.870 0.062 0.000 1.057 523 L CA 0.344 55.221 54.840 0.061 0.000 0.811 523 L CB 0.427 42.519 42.059 0.055 0.000 1.184 523 L HN 0.702 nan 8.230 nan 0.000 0.429 524 N N 3.458 122.205 118.700 0.078 0.000 2.650 524 N HA -0.286 4.454 4.740 -0.000 0.000 0.249 524 N C 0.842 176.385 175.510 0.056 0.000 1.155 524 N CA 0.832 53.929 53.050 0.078 0.000 0.747 524 N CB -0.411 38.117 38.487 0.069 0.000 1.132 524 N HN 1.157 nan 8.380 nan 0.000 0.564 525 G N -1.444 107.383 108.800 0.046 0.000 3.435 525 G HA2 0.034 3.994 3.960 -0.000 0.000 0.197 525 G HA3 0.034 3.994 3.960 -0.000 0.000 0.197 525 G C -0.089 174.834 174.900 0.038 0.000 1.497 525 G CA 0.200 45.320 45.100 0.033 0.000 1.043 525 G HN 0.816 nan 8.290 nan 0.000 0.466 526 A N 1.064 123.908 122.820 0.041 0.000 2.327 526 A HA 0.702 5.022 4.320 -0.000 0.000 0.283 526 A C 0.324 177.942 177.584 0.056 0.000 1.127 526 A CA 0.050 52.113 52.037 0.043 0.000 0.810 526 A CB 0.392 19.413 19.000 0.036 0.000 1.066 526 A HN 0.488 nan 8.150 nan 0.000 0.492 527 E N 0.472 120.711 120.200 0.065 0.000 2.410 527 E HA 0.374 4.724 4.350 -0.000 0.000 0.255 527 E C -0.191 176.450 176.600 0.069 0.000 1.194 527 E CA 0.183 56.632 56.400 0.081 0.000 0.955 527 E CB 0.494 30.251 29.700 0.095 0.000 0.988 527 E HN 0.786 nan 8.360 nan 0.000 0.461 528 E N -0.636 119.609 120.200 0.075 0.000 2.388 528 E HA 0.283 4.633 4.350 -0.000 0.000 0.281 528 E C -2.938 173.700 176.600 0.063 0.000 1.046 528 E CA -1.925 54.513 56.400 0.062 0.000 0.825 528 E CB 1.306 31.039 29.700 0.056 0.000 1.243 528 E HN 0.094 nan 8.360 nan 0.000 0.438 529 P HA -0.023 nan 4.420 nan 0.000 0.267 529 P C -0.132 177.191 177.300 0.040 0.000 1.200 529 P CA -0.162 62.964 63.100 0.044 0.000 0.772 529 P CB 0.684 32.405 31.700 0.034 0.000 0.855 530 L N 3.216 124.456 121.223 0.028 0.000 2.387 530 L HA 0.090 4.430 4.340 -0.000 0.000 0.267 530 L C 1.291 178.163 176.870 0.003 0.000 1.197 530 L CA -0.592 54.254 54.840 0.010 0.000 1.070 530 L CB -0.316 41.731 42.059 -0.020 0.000 1.349 530 L HN 0.337 nan 8.230 nan 0.000 0.422 531 K N 2.078 122.490 120.400 0.019 0.000 2.202 531 K HA -0.006 4.314 4.320 -0.000 0.000 0.264 531 K C 0.596 177.207 176.600 0.018 0.000 1.010 531 K CA -0.355 55.944 56.287 0.019 0.000 0.940 531 K CB 1.029 33.546 32.500 0.028 0.000 0.983 531 K HN 0.438 nan 8.250 nan 0.000 0.475 532 E N 0.683 120.892 120.200 0.014 0.000 2.233 532 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 532 E C 0.915 177.534 176.600 0.032 0.000 1.004 532 E CA 1.846 58.256 56.400 0.016 0.000 0.819 532 E CB 0.052 29.760 29.700 0.014 0.000 0.738 532 E HN 0.740 nan 8.360 nan 0.000 0.478 533 D N -0.339 120.086 120.400 0.041 0.000 2.077 533 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 533 D C 1.931 178.284 176.300 0.088 0.000 0.989 533 D CA 1.516 55.550 54.000 0.057 0.000 0.831 533 D CB 0.041 40.874 40.800 0.054 0.000 0.979 533 D HN 0.107 nan 8.370 nan 0.000 0.449 534 M N 0.205 119.867 119.600 0.102 0.000 2.213 534 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 534 M C 2.152 178.561 176.300 0.181 0.000 1.062 534 M CA 1.055 56.458 55.300 0.171 0.000 1.105 534 M CB -0.763 31.926 32.600 0.148 0.000 1.385 534 M HN 0.110 nan 8.290 nan 0.000 0.417 535 K N 0.346 120.793 120.400 0.078 0.000 2.147 535 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 535 K C 1.876 178.541 176.600 0.109 0.000 1.049 535 K CA 1.437 57.742 56.287 0.031 0.000 0.936 535 K CB 0.077 32.560 32.500 -0.028 0.000 0.722 535 K HN 0.320 nan 8.250 nan 0.000 0.446 536 E N -0.458 119.793 120.200 0.085 0.000 2.112 536 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 536 E C 1.677 178.300 176.600 0.039 0.000 0.979 536 E CA 0.756 57.193 56.400 0.062 0.000 0.814 536 E CB 0.004 29.728 29.700 0.041 0.000 0.762 536 E HN 0.398 nan 8.360 nan 0.000 0.460 537 A N 0.505 123.373 122.820 0.081 0.000 1.969 537 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 537 A C 1.939 179.403 177.584 -0.200 0.000 1.169 537 A CA 1.050 53.124 52.037 0.062 0.000 0.635 537 A CB -0.790 18.367 19.000 0.263 0.000 0.810 537 A HN 0.523 nan 8.150 nan 0.000 0.445 538 F N 0.473 120.208 119.950 -0.358 0.000 2.102 538 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 538 F C 2.441 177.954 175.800 -0.477 0.000 1.105 538 F CA 2.216 59.755 58.000 -0.768 0.000 1.239 538 F CB -0.161 38.608 39.000 -0.385 0.000 0.991 538 F HN 0.168 nan 8.300 nan 0.000 0.474 539 Q N 0.882 120.576 119.800 -0.177 0.000 2.084 539 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 539 Q C 2.024 177.883 176.000 -0.235 0.000 0.978 539 Q CA 1.865 57.578 55.803 -0.150 0.000 0.844 539 Q CB -0.885 27.872 28.738 0.032 0.000 0.898 539 Q HN 0.658 nan 8.270 nan 0.000 0.426 540 N N 0.150 118.709 118.700 -0.234 0.000 2.058 540 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 540 N C 1.794 177.114 175.510 -0.317 0.000 1.037 540 N CA 1.060 53.976 53.050 -0.222 0.000 0.848 540 N CB -0.053 38.343 38.487 -0.152 0.000 1.021 540 N HN 0.188 nan 8.380 nan 0.000 0.422 541 A N 1.061 123.568 122.820 -0.520 0.000 1.908 541 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 541 A C 2.065 179.389 177.584 -0.433 0.000 1.181 541 A CA 1.237 52.898 52.037 -0.626 0.000 0.627 541 A CB -1.006 17.128 19.000 -1.444 0.000 0.818 541 A HN 0.453 nan 8.150 nan 0.000 0.445 542 Y N 0.423 120.312 120.300 -0.684 0.000 2.181 542 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 542 Y C 1.947 177.658 175.900 -0.315 0.000 1.146 542 Y CA 1.546 59.330 58.100 -0.526 0.000 1.164 542 Y CB -0.502 37.513 38.460 -0.742 0.000 0.982 542 Y HN 0.227 nan 8.280 nan 0.000 0.515 543 L N -0.209 120.793 121.223 -0.369 0.000 2.109 543 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 543 L C 2.556 179.267 176.870 -0.265 0.000 1.086 543 L CA 1.687 56.310 54.840 -0.361 0.000 0.760 543 L CB -0.502 41.401 42.059 -0.259 0.000 0.910 543 L HN 0.241 nan 8.230 nan 0.000 0.437 544 E N 0.634 120.696 120.200 -0.229 0.000 2.028 544 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 544 E C 2.362 178.847 176.600 -0.192 0.000 0.988 544 E CA 1.094 57.379 56.400 -0.192 0.000 0.799 544 E CB -0.004 29.585 29.700 -0.185 0.000 0.755 544 E HN 0.418 nan 8.360 nan 0.000 0.447 545 L N 0.094 121.205 121.223 -0.187 0.000 2.046 545 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 545 L C 2.668 179.473 176.870 -0.108 0.000 1.077 545 L CA 1.231 55.986 54.840 -0.142 0.000 0.747 545 L CB -0.677 41.351 42.059 -0.051 0.000 0.896 545 L HN 0.304 nan 8.230 nan 0.000 0.432 546 G N -0.335 108.372 108.800 -0.155 0.000 2.432 546 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 546 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 546 G C 1.583 176.401 174.900 -0.137 0.000 1.135 546 G CA 0.699 45.700 45.100 -0.165 0.000 0.767 546 G HN 0.495 nan 8.290 nan 0.000 0.550 547 G N 0.587 109.297 108.800 -0.150 0.000 2.443 547 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.219 547 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.219 547 G C 1.367 176.215 174.900 -0.087 0.000 1.131 547 G CA 0.293 45.323 45.100 -0.117 0.000 0.775 547 G HN 0.328 nan 8.290 nan 0.000 0.547 548 L N 1.065 122.234 121.223 -0.089 0.000 2.650 548 L HA 0.277 4.617 4.340 -0.000 0.000 0.235 548 L C 2.057 178.912 176.870 -0.026 0.000 1.149 548 L CA 0.481 55.285 54.840 -0.060 0.000 0.887 548 L CB -0.643 41.368 42.059 -0.080 0.000 1.021 548 L HN 0.379 nan 8.230 nan 0.000 0.441 549 G N -0.567 108.214 108.800 -0.032 0.000 2.160 549 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.251 549 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.251 549 G C 0.287 175.192 174.900 0.007 0.000 1.008 549 G CA 0.133 45.225 45.100 -0.013 0.000 0.724 549 G HN 0.447 nan 8.290 nan 0.000 0.514 550 E N -0.407 119.800 120.200 0.011 0.000 2.204 550 E HA 0.443 4.793 4.350 -0.000 0.000 0.276 550 E C 0.439 177.070 176.600 0.052 0.000 0.974 550 E CA -0.945 55.482 56.400 0.045 0.000 0.815 550 E CB 1.377 31.124 29.700 0.079 0.000 1.119 550 E HN 0.266 nan 8.360 nan 0.000 0.393 551 R N 2.366 122.906 120.500 0.066 0.000 2.267 551 R HA 0.203 4.543 4.340 -0.000 0.000 0.319 551 R C -1.032 175.341 176.300 0.123 0.000 1.067 551 R CA -0.240 55.908 56.100 0.080 0.000 0.936 551 R CB 0.410 30.745 30.300 0.058 0.000 1.006 551 R HN 0.266 nan 8.270 nan 0.000 0.452 552 V N 6.725 126.739 119.914 0.166 0.000 2.435 552 V HA 0.427 4.547 4.120 -0.000 0.000 0.290 552 V C 0.065 176.279 176.094 0.200 0.000 1.030 552 V CA -0.771 61.662 62.300 0.222 0.000 0.881 552 V CB 1.617 33.630 31.823 0.317 0.000 0.983 552 V HN 0.665 nan 8.190 nan 0.000 0.445 553 L N 3.115 124.475 121.223 0.229 0.000 2.354 553 L HA 0.821 5.161 4.340 -0.000 0.000 0.269 553 L C 0.616 177.618 176.870 0.220 0.000 1.005 553 L CA -0.541 54.386 54.840 0.147 0.000 0.819 553 L CB 2.183 44.275 42.059 0.054 0.000 1.311 553 L HN 0.781 nan 8.230 nan 0.000 0.423 554 G N 0.877 109.710 108.800 0.055 0.000 2.389 554 G HA2 0.670 4.629 3.960 -0.000 0.000 0.317 554 G HA3 0.670 4.629 3.960 -0.000 0.000 0.317 554 G C -1.392 173.362 174.900 -0.244 0.000 1.137 554 G CA -0.161 45.026 45.100 0.146 0.000 0.870 554 G HN 0.257 nan 8.290 nan 0.000 0.496 555 F N 0.525 120.342 119.950 -0.221 0.000 2.547 555 F HA 0.584 5.111 4.527 -0.000 0.000 0.316 555 F C 0.485 176.018 175.800 -0.444 0.000 1.121 555 F CA -0.865 56.985 58.000 -0.250 0.000 0.911 555 F CB 2.119 41.001 39.000 -0.196 0.000 1.179 555 F HN 0.759 nan 8.300 nan 0.000 0.443 556 C N 1.908 121.144 119.300 -0.107 0.000 3.239 556 C HA 0.906 5.366 4.460 -0.000 0.000 0.317 556 C C -1.163 173.867 174.990 0.067 0.000 1.310 556 C CA -0.604 58.358 59.018 -0.093 0.000 1.371 556 C CB 1.561 29.282 27.740 -0.031 0.000 1.714 556 C HN 1.114 nan 8.230 nan 0.000 0.473 557 H N -0.355 118.729 119.070 0.023 0.000 2.960 557 H HA 0.857 5.413 4.556 -0.000 0.000 0.338 557 H C -2.034 173.396 175.328 0.169 0.000 1.261 557 H CA -1.035 55.045 56.048 0.054 0.000 1.136 557 H CB 1.943 31.704 29.762 -0.002 0.000 1.875 557 H HN 0.878 nan 8.280 nan 0.000 0.550 558 F N 1.352 121.254 119.950 -0.079 0.000 2.722 558 F HA 0.527 5.054 4.527 -0.000 0.000 0.336 558 F C -1.410 174.261 175.800 -0.215 0.000 1.216 558 F CA -0.498 57.416 58.000 -0.143 0.000 1.065 558 F CB 1.670 40.647 39.000 -0.038 0.000 1.325 558 F HN 0.891 nan 8.300 nan 0.000 0.524 559 A N 7.520 129.875 122.820 -0.775 0.000 2.457 559 A HA 0.510 4.830 4.320 -0.000 0.000 0.298 559 A C -0.320 176.719 177.584 -0.908 0.000 1.288 559 A CA -0.319 51.322 52.037 -0.660 0.000 0.956 559 A CB -0.552 18.166 19.000 -0.471 0.000 1.135 559 A HN 0.777 nan 8.150 nan 0.000 0.535 560 L N 4.532 125.382 121.223 -0.623 0.000 2.485 560 L HA 0.181 4.521 4.340 -0.000 0.000 0.275 560 L C -1.641 175.148 176.870 -0.136 0.000 1.207 560 L CA -1.304 53.297 54.840 -0.397 0.000 0.855 560 L CB 0.273 42.097 42.059 -0.391 0.000 1.114 560 L HN 0.481 nan 8.230 nan 0.000 0.485 561 P HA 0.023 nan 4.420 nan 0.000 0.267 561 P C -0.058 177.335 177.300 0.155 0.000 1.205 561 P CA -0.032 63.125 63.100 0.094 0.000 0.765 561 P CB 0.750 32.525 31.700 0.126 0.000 0.828 562 E N 2.171 122.396 120.200 0.041 0.000 2.038 562 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 562 E C 1.107 177.713 176.600 0.011 0.000 1.000 562 E CA 1.345 57.757 56.400 0.021 0.000 0.803 562 E CB -0.141 29.541 29.700 -0.029 0.000 0.750 562 E HN 0.556 nan 8.360 nan 0.000 0.448 563 D N 0.683 121.074 120.400 -0.016 0.000 2.178 563 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 563 D C 1.476 177.712 176.300 -0.106 0.000 0.980 563 D CA 1.081 55.054 54.000 -0.045 0.000 0.842 563 D CB -0.022 40.755 40.800 -0.038 0.000 0.948 563 D HN 0.111 nan 8.370 nan 0.000 0.472 564 K N -0.669 119.630 120.400 -0.168 0.000 2.426 564 K HA 0.020 4.340 4.320 -0.000 0.000 0.193 564 K C -0.320 175.714 176.600 -0.943 0.000 1.028 564 K CA 0.213 56.217 56.287 -0.472 0.000 1.047 564 K CB 0.466 32.676 32.500 -0.484 0.000 0.821 564 K HN 0.147 nan 8.250 nan 0.000 0.513 565 Y N 0.569 120.765 120.300 -0.174 0.000 2.400 565 Y HA 0.231 4.781 4.550 -0.000 0.000 0.335 565 Y C -0.742 175.161 175.900 0.004 0.000 1.066 565 Y CA -1.517 56.456 58.100 -0.212 0.000 1.285 565 Y CB 0.589 39.014 38.460 -0.058 0.000 1.103 565 Y HN -0.104 nan 8.280 nan 0.000 0.490 566 N N 0.894 119.699 118.700 0.175 0.000 2.399 566 N HA 0.020 4.760 4.740 -0.000 0.000 0.250 566 N C 1.150 176.780 175.510 0.199 0.000 1.272 566 N CA -0.286 52.852 53.050 0.146 0.000 0.928 566 N CB 0.684 39.250 38.487 0.131 0.000 1.158 566 N HN 0.576 nan 8.380 nan 0.000 0.463 567 E N -0.166 120.071 120.200 0.063 0.000 2.396 567 E HA -0.063 4.287 4.350 -0.000 0.000 0.200 567 E C 0.999 177.737 176.600 0.231 0.000 1.023 567 E CA 1.085 57.504 56.400 0.032 0.000 0.857 567 E CB -0.423 29.268 29.700 -0.015 0.000 0.775 567 E HN 0.745 nan 8.360 nan 0.000 0.525 568 G N -1.309 107.633 108.800 0.237 0.000 3.377 568 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.257 568 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.257 568 G C -0.447 174.569 174.900 0.194 0.000 1.038 568 G CA -0.439 44.784 45.100 0.204 0.000 0.809 568 G HN 0.253 nan 8.290 nan 0.000 0.526 569 Y N 3.435 123.831 120.300 0.161 0.000 2.721 569 Y HA 0.282 4.832 4.550 -0.000 0.000 0.329 569 Y C -1.895 173.881 175.900 -0.207 0.000 1.211 569 Y CA -1.846 56.242 58.100 -0.020 0.000 1.512 569 Y CB 0.790 39.253 38.460 0.004 0.000 1.249 569 Y HN 0.021 nan 8.280 nan 0.000 0.549 570 P HA 0.195 nan 4.420 nan 0.000 0.286 570 P C -1.490 175.375 177.300 -0.726 0.000 1.269 570 P CA -0.038 62.740 63.100 -0.537 0.000 0.787 570 P CB 0.581 32.065 31.700 -0.360 0.000 0.920 571 F N 1.317 121.194 119.950 -0.122 0.000 2.436 571 F HA 0.283 4.810 4.527 -0.000 0.000 0.340 571 F C 0.893 176.758 175.800 0.108 0.000 1.113 571 F CA -0.356 57.691 58.000 0.078 0.000 1.022 571 F CB 1.250 40.244 39.000 -0.010 0.000 1.128 571 F HN 0.208 nan 8.300 nan 0.000 0.466 572 D N 2.056 122.673 120.400 0.363 0.000 2.317 572 D HA 0.477 5.116 4.640 -0.000 0.000 0.234 572 D C 0.523 177.009 176.300 0.309 0.000 1.112 572 D CA -0.088 54.049 54.000 0.228 0.000 0.840 572 D CB 1.709 42.574 40.800 0.108 0.000 1.078 572 D HN 0.574 nan 8.370 nan 0.000 0.486 573 A N 3.717 126.676 122.820 0.231 0.000 2.021 573 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 573 A C 1.665 179.311 177.584 0.103 0.000 1.163 573 A CA 0.709 52.876 52.037 0.217 0.000 0.676 573 A CB -0.021 19.067 19.000 0.146 0.000 0.818 573 A HN 0.621 nan 8.150 nan 0.000 0.453 574 D N 0.306 120.743 120.400 0.062 0.000 2.103 574 D HA -0.034 4.606 4.640 -0.000 0.000 0.199 574 D C 0.184 176.482 176.300 -0.003 0.000 0.978 574 D CA 0.949 54.962 54.000 0.022 0.000 0.829 574 D CB 0.040 40.850 40.800 0.016 0.000 0.981 574 D HN 0.596 nan 8.370 nan 0.000 0.464 575 E N 0.727 120.923 120.200 -0.007 0.000 2.176 575 E HA 0.303 4.653 4.350 -0.000 0.000 0.267 575 E C -2.544 173.998 176.600 -0.098 0.000 0.893 575 E CA -2.163 54.214 56.400 -0.039 0.000 0.761 575 E CB 2.022 31.709 29.700 -0.021 0.000 1.133 575 E HN -0.174 nan 8.360 nan 0.000 0.409 576 P HA -0.086 nan 4.420 nan 0.000 0.243 576 P C -0.240 176.907 177.300 -0.255 0.000 1.134 576 P CA 0.583 63.477 63.100 -0.345 0.000 1.109 576 P CB -0.015 31.552 31.700 -0.221 0.000 1.140 577 N N 2.593 121.128 118.700 -0.275 0.000 2.270 577 N HA 0.115 4.855 4.740 -0.000 0.000 0.198 577 N C -0.569 175.181 175.510 0.400 0.000 1.117 577 N CA -0.190 52.936 53.050 0.127 0.000 0.845 577 N CB -0.001 38.661 38.487 0.293 0.000 0.980 577 N HN 0.222 nan 8.380 nan 0.000 0.486 578 F N -2.080 118.052 119.950 0.303 0.000 2.654 578 F HA 0.628 5.155 4.527 -0.000 0.000 0.308 578 F C -2.789 173.121 175.800 0.182 0.000 1.108 578 F CA -2.448 55.750 58.000 0.331 0.000 0.957 578 F CB 0.039 39.266 39.000 0.379 0.000 1.309 578 F HN -0.228 nan 8.300 nan 0.000 0.446 579 P HA 0.185 nan 4.420 nan 0.000 0.271 579 P C 0.119 177.465 177.300 0.076 0.000 1.216 579 P CA -0.158 63.010 63.100 0.113 0.000 0.771 579 P CB 1.342 33.076 31.700 0.057 0.000 0.864 580 T N -2.094 112.435 114.554 -0.043 0.000 3.145 580 T HA 0.217 4.567 4.350 -0.000 0.000 0.281 580 T C 0.323 174.921 174.700 -0.169 0.000 1.003 580 T CA -0.183 61.861 62.100 -0.092 0.000 0.901 580 T CB -0.312 68.487 68.868 -0.116 0.000 1.112 580 T HN 0.366 nan 8.240 nan 0.000 0.535 581 T N 1.361 115.804 114.554 -0.186 0.000 2.907 581 T HA 0.495 4.845 4.350 -0.000 0.000 0.290 581 T C -0.722 173.818 174.700 -0.266 0.000 1.066 581 T CA -0.619 61.372 62.100 -0.181 0.000 1.012 581 T CB 1.365 70.161 68.868 -0.121 0.000 1.184 581 T HN 0.118 nan 8.240 nan 0.000 0.522 582 D N 0.105 120.391 120.400 -0.190 0.000 2.911 582 D HA -0.139 4.501 4.640 -0.000 0.000 0.227 582 D C 0.138 176.292 176.300 -0.243 0.000 1.164 582 D CA 0.530 54.421 54.000 -0.181 0.000 0.782 582 D CB -1.590 39.108 40.800 -0.170 0.000 1.094 582 D HN 0.404 nan 8.370 nan 0.000 0.425 583 L N -0.534 120.560 121.223 -0.214 0.000 2.479 583 L HA 0.273 4.613 4.340 -0.000 0.000 0.248 583 L C 1.278 178.219 176.870 0.119 0.000 1.205 583 L CA -0.557 54.227 54.840 -0.093 0.000 0.817 583 L CB 0.722 42.754 42.059 -0.046 0.000 1.162 583 L HN 0.186 nan 8.230 nan 0.000 0.486 584 C N 1.372 120.832 119.300 0.267 0.000 2.255 584 C HA 0.361 4.821 4.460 -0.000 0.000 0.326 584 C C 0.138 175.269 174.990 0.234 0.000 1.258 584 C CA -0.919 58.266 59.018 0.280 0.000 1.676 584 C CB -0.953 27.006 27.740 0.365 0.000 2.314 584 C HN 0.505 nan 8.230 nan 0.000 0.509 585 F N 6.096 126.090 119.950 0.073 0.000 2.541 585 F HA 0.298 4.825 4.527 -0.000 0.000 0.378 585 F C 0.816 176.640 175.800 0.039 0.000 1.068 585 F CA 0.279 58.315 58.000 0.059 0.000 1.199 585 F CB 0.970 39.998 39.000 0.046 0.000 1.091 585 F HN 0.539 nan 8.300 nan 0.000 0.555 586 V N 4.689 124.387 119.914 -0.359 0.000 2.521 586 V HA 0.437 4.557 4.120 -0.000 0.000 0.239 586 V C 1.142 177.141 176.094 -0.159 0.000 1.053 586 V CA 0.847 62.993 62.300 -0.257 0.000 1.073 586 V CB -0.448 31.136 31.823 -0.399 0.000 0.746 586 V HN 0.984 nan 8.190 nan 0.000 0.476 587 G N -0.944 107.630 108.800 -0.376 0.000 2.441 587 G HA2 0.526 4.486 3.960 -0.000 0.000 0.294 587 G HA3 0.526 4.486 3.960 -0.000 0.000 0.294 587 G C -2.026 173.040 174.900 0.276 0.000 1.393 587 G CA -0.743 44.423 45.100 0.110 0.000 0.796 587 G HN 0.084 nan 8.290 nan 0.000 0.494 588 L N 0.002 121.615 121.223 0.649 0.000 2.330 588 L HA 0.795 5.135 4.340 -0.000 0.000 0.271 588 L C 0.048 177.188 176.870 0.449 0.000 1.013 588 L CA -0.791 54.431 54.840 0.637 0.000 0.816 588 L CB 2.060 44.528 42.059 0.682 0.000 1.287 588 L HN 0.393 nan 8.230 nan 0.000 0.435 589 M N 1.733 121.590 119.600 0.429 0.000 2.386 589 M HA 0.627 5.107 4.480 -0.000 0.000 0.293 589 M C -1.012 175.459 176.300 0.286 0.000 1.120 589 M CA -0.429 55.039 55.300 0.280 0.000 0.909 589 M CB 2.496 35.148 32.600 0.086 0.000 1.661 589 M HN 0.652 nan 8.290 nan 0.000 0.452 590 A N 4.486 127.436 122.820 0.216 0.000 2.380 590 A HA 1.050 5.370 4.320 -0.000 0.000 0.315 590 A C -0.827 176.841 177.584 0.140 0.000 1.101 590 A CA -0.733 51.417 52.037 0.189 0.000 0.771 590 A CB 1.727 20.846 19.000 0.199 0.000 1.287 590 A HN 0.964 nan 8.150 nan 0.000 0.436 591 M N 1.085 120.754 119.600 0.115 0.000 2.644 591 M HA 0.874 5.354 4.480 -0.000 0.000 0.273 591 M C -1.588 174.750 176.300 0.062 0.000 1.253 591 M CA -0.575 54.770 55.300 0.076 0.000 0.852 591 M CB 1.996 34.636 32.600 0.067 0.000 1.708 591 M HN 0.785 nan 8.290 nan 0.000 0.471 592 I N 0.647 121.242 120.570 0.041 0.000 3.021 592 I HA 0.316 4.486 4.170 -0.000 0.000 0.305 592 I C -1.865 174.262 176.117 0.018 0.000 1.434 592 I CA -0.396 60.923 61.300 0.032 0.000 0.969 592 I CB 2.566 40.588 38.000 0.036 0.000 1.328 592 I HN 0.968 nan 8.210 nan 0.000 0.486 593 D N 7.026 127.434 120.400 0.013 0.000 2.359 593 D HA 0.319 4.959 4.640 -0.000 0.000 0.250 593 D C -2.376 173.921 176.300 -0.005 0.000 1.264 593 D CA -1.639 52.363 54.000 0.004 0.000 0.911 593 D CB 0.765 41.566 40.800 0.002 0.000 1.056 593 D HN 0.121 nan 8.370 nan 0.000 0.499 594 P HA 0.365 nan 4.420 nan 0.000 0.278 594 P C -2.793 174.489 177.300 -0.030 0.000 1.258 594 P CA -1.869 61.221 63.100 -0.017 0.000 0.811 594 P CB 0.428 32.117 31.700 -0.018 0.000 1.063 595 P HA 0.164 nan 4.420 nan 0.000 0.269 595 P C 0.009 177.276 177.300 -0.054 0.000 1.215 595 P CA 0.108 63.168 63.100 -0.066 0.000 0.780 595 P CB 0.356 32.012 31.700 -0.073 0.000 0.898 596 R N 1.576 122.036 120.500 -0.067 0.000 2.594 596 R HA 0.263 4.603 4.340 -0.000 0.000 0.272 596 R C 1.570 177.853 176.300 -0.029 0.000 1.074 596 R CA -0.091 55.989 56.100 -0.035 0.000 1.105 596 R CB 0.085 30.374 30.300 -0.019 0.000 1.008 596 R HN 0.479 nan 8.270 nan 0.000 0.472 597 A N 2.664 125.481 122.820 -0.006 0.000 1.903 597 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 597 A C 2.061 179.649 177.584 0.007 0.000 1.191 597 A CA 2.276 54.313 52.037 0.000 0.000 0.638 597 A CB -0.728 18.278 19.000 0.009 0.000 0.823 597 A HN 0.837 nan 8.150 nan 0.000 0.451 598 A N -1.071 121.765 122.820 0.026 0.000 2.167 598 A HA 0.257 4.577 4.320 -0.000 0.000 0.214 598 A C 2.067 179.682 177.584 0.051 0.000 1.151 598 A CA 1.130 53.198 52.037 0.052 0.000 0.735 598 A CB -0.536 18.516 19.000 0.087 0.000 0.802 598 A HN 0.330 nan 8.150 nan 0.000 0.467 599 V N 0.845 120.747 119.914 -0.020 0.000 2.261 599 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 599 V C -0.070 175.975 176.094 -0.082 0.000 1.047 599 V CA 2.529 64.746 62.300 -0.138 0.000 1.015 599 V CB -1.483 30.140 31.823 -0.334 0.000 0.642 599 V HN 0.356 nan 8.190 nan 0.000 0.446 600 P HA -0.201 nan 4.420 nan 0.000 0.215 600 P C 1.334 178.637 177.300 0.005 0.000 1.157 600 P CA 2.051 65.133 63.100 -0.029 0.000 0.874 600 P CB -0.049 31.639 31.700 -0.021 0.000 0.790 601 D N -1.000 119.412 120.400 0.020 0.000 2.144 601 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 601 D C 1.863 178.200 176.300 0.062 0.000 0.978 601 D CA 1.244 55.265 54.000 0.036 0.000 0.833 601 D CB -0.568 40.253 40.800 0.035 0.000 0.961 601 D HN -0.005 nan 8.370 nan 0.000 0.470 602 A N -0.322 122.558 122.820 0.100 0.000 1.969 602 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 602 A C 2.406 180.085 177.584 0.159 0.000 1.169 602 A CA 1.165 53.301 52.037 0.164 0.000 0.635 602 A CB -0.595 18.609 19.000 0.340 0.000 0.810 602 A HN 0.215 nan 8.150 nan 0.000 0.445 603 V N -0.138 119.847 119.914 0.118 0.000 2.307 603 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 603 V C 2.839 178.972 176.094 0.064 0.000 1.045 603 V CA 1.923 64.278 62.300 0.093 0.000 1.024 603 V CB -1.380 30.460 31.823 0.028 0.000 0.651 603 V HN 0.588 nan 8.190 nan 0.000 0.449 604 G N -0.175 108.652 108.800 0.045 0.000 2.440 604 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 604 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 604 G C 1.666 176.589 174.900 0.038 0.000 1.154 604 G CA 0.660 45.781 45.100 0.035 0.000 0.767 604 G HN 0.364 nan 8.290 nan 0.000 0.552 605 K N 0.089 120.517 120.400 0.046 0.000 2.057 605 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 605 K C 2.616 179.240 176.600 0.039 0.000 1.050 605 K CA 0.858 57.169 56.287 0.040 0.000 0.935 605 K CB -0.885 31.642 32.500 0.044 0.000 0.715 605 K HN 0.354 nan 8.250 nan 0.000 0.439 606 C N 0.814 120.146 119.300 0.052 0.000 2.413 606 C HA -0.070 4.390 4.460 -0.000 0.000 0.276 606 C C 2.755 177.767 174.990 0.036 0.000 1.248 606 C CA 0.637 59.683 59.018 0.046 0.000 1.742 606 C CB -0.767 27.015 27.740 0.070 0.000 2.017 606 C HN 0.469 nan 8.230 nan 0.000 0.481 607 R N 0.555 121.078 120.500 0.039 0.000 2.092 607 R HA -0.082 4.257 4.340 -0.000 0.000 0.231 607 R C 2.304 178.618 176.300 0.024 0.000 1.119 607 R CA 1.416 57.535 56.100 0.031 0.000 0.970 607 R CB -0.457 29.861 30.300 0.030 0.000 0.864 607 R HN 0.447 nan 8.270 nan 0.000 0.440 608 S N 0.792 116.506 115.700 0.023 0.000 2.423 608 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 608 S C 1.731 176.340 174.600 0.016 0.000 1.014 608 S CA 1.101 59.312 58.200 0.019 0.000 0.965 608 S CB 0.094 63.306 63.200 0.019 0.000 0.785 608 S HN 0.433 nan 8.310 nan 0.000 0.495 609 A N 0.260 123.090 122.820 0.016 0.000 2.259 609 A HA 0.501 4.821 4.320 -0.000 0.000 0.208 609 A C 1.513 179.102 177.584 0.007 0.000 1.201 609 A CA 0.623 52.666 52.037 0.010 0.000 0.824 609 A CB -0.812 18.192 19.000 0.008 0.000 0.838 609 A HN 0.789 nan 8.150 nan 0.000 0.485 610 G N -0.675 108.132 108.800 0.012 0.000 2.143 610 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 610 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 610 G C 0.054 174.961 174.900 0.012 0.000 0.991 610 G CA 0.318 45.425 45.100 0.011 0.000 0.689 610 G HN 0.493 nan 8.290 nan 0.000 0.522 611 I N 0.585 121.164 120.570 0.015 0.000 2.395 611 I HA 0.264 4.433 4.170 -0.000 0.000 0.289 611 I C 0.824 176.959 176.117 0.030 0.000 1.023 611 I CA -0.516 60.795 61.300 0.019 0.000 1.350 611 I CB 1.343 39.354 38.000 0.018 0.000 1.409 611 I HN 0.048 nan 8.210 nan 0.000 0.507 612 K N 6.024 126.444 120.400 0.033 0.000 2.297 612 K HA 0.413 4.733 4.320 -0.000 0.000 0.286 612 K C -1.165 175.466 176.600 0.051 0.000 1.053 612 K CA -0.411 55.902 56.287 0.044 0.000 0.940 612 K CB 0.965 33.494 32.500 0.049 0.000 1.019 612 K HN 0.405 nan 8.250 nan 0.000 0.475 613 V N 6.819 126.766 119.914 0.055 0.000 2.357 613 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 613 V C -0.070 176.060 176.094 0.060 0.000 1.018 613 V CA -0.740 61.597 62.300 0.063 0.000 0.841 613 V CB 0.977 32.839 31.823 0.066 0.000 0.991 613 V HN 0.677 nan 8.190 nan 0.000 0.437 614 I N 4.902 125.517 120.570 0.075 0.000 2.493 614 I HA 0.497 4.667 4.170 -0.000 0.000 0.298 614 I C -0.045 176.126 176.117 0.089 0.000 0.998 614 I CA -0.513 60.841 61.300 0.090 0.000 1.137 614 I CB 1.952 40.042 38.000 0.150 0.000 1.310 614 I HN 0.563 nan 8.210 nan 0.000 0.445 615 M N 6.664 126.307 119.600 0.072 0.000 2.188 615 M HA 0.518 4.998 4.480 -0.000 0.000 0.357 615 M C -1.579 174.794 176.300 0.122 0.000 1.204 615 M CA -0.403 54.934 55.300 0.062 0.000 1.095 615 M CB 1.036 33.644 32.600 0.014 0.000 1.604 615 M HN 0.363 nan 8.290 nan 0.000 0.464 616 V N 4.048 124.019 119.914 0.095 0.000 2.419 616 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 616 V C -0.441 175.671 176.094 0.030 0.000 1.017 616 V CA -0.564 61.794 62.300 0.097 0.000 0.844 616 V CB 1.341 33.194 31.823 0.050 0.000 1.011 616 V HN 0.922 nan 8.190 nan 0.000 0.429 617 T N 2.397 116.960 114.554 0.014 0.000 2.909 617 T HA 0.588 4.938 4.350 -0.000 0.000 0.299 617 T C 1.071 175.730 174.700 -0.068 0.000 1.073 617 T CA 0.401 62.484 62.100 -0.029 0.000 0.999 617 T CB 2.005 70.854 68.868 -0.032 0.000 1.098 617 T HN 0.704 nan 8.240 nan 0.000 0.477 618 G N 1.892 110.638 108.800 -0.090 0.000 2.744 618 G HA2 0.102 4.062 3.960 -0.000 0.000 0.211 618 G HA3 0.102 4.062 3.960 -0.000 0.000 0.211 618 G C 0.453 175.238 174.900 -0.192 0.000 1.143 618 G CA -0.002 45.018 45.100 -0.134 0.000 0.788 618 G HN 0.689 nan 8.290 nan 0.000 0.534 619 D N 0.126 120.430 120.400 -0.159 0.000 2.358 619 D HA 0.100 4.740 4.640 -0.000 0.000 0.244 619 D C 0.315 176.492 176.300 -0.206 0.000 1.163 619 D CA -0.536 53.348 54.000 -0.193 0.000 0.945 619 D CB 0.405 41.155 40.800 -0.083 0.000 1.152 619 D HN 0.120 nan 8.370 nan 0.000 0.451 620 H N 1.593 120.649 119.070 -0.022 0.000 2.871 620 H HA 0.031 4.587 4.556 -0.000 0.000 0.355 620 H C -1.445 173.882 175.328 -0.002 0.000 1.092 620 H CA -0.955 55.093 56.048 -0.000 0.000 1.420 620 H CB 0.316 30.093 29.762 0.024 0.000 1.400 620 H HN 0.318 nan 8.280 nan 0.000 0.604 621 P HA -0.170 nan 4.420 nan 0.000 0.215 621 P C 1.656 178.989 177.300 0.056 0.000 1.153 621 P CA 0.920 64.071 63.100 0.086 0.000 0.853 621 P CB 0.288 32.069 31.700 0.135 0.000 0.788 622 I N -0.928 119.680 120.570 0.064 0.000 2.226 622 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 622 I C 2.047 178.176 176.117 0.020 0.000 1.100 622 I CA 1.874 63.189 61.300 0.025 0.000 1.374 622 I CB -2.082 35.922 38.000 0.007 0.000 1.057 622 I HN 0.025 nan 8.210 nan 0.000 0.413 623 T N 1.265 115.844 114.554 0.042 0.000 2.777 623 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 623 T C 2.087 176.794 174.700 0.011 0.000 1.040 623 T CA 1.429 63.547 62.100 0.030 0.000 1.141 623 T CB -0.225 68.674 68.868 0.051 0.000 0.868 623 T HN 0.431 nan 8.240 nan 0.000 0.444 624 A N 1.720 124.546 122.820 0.011 0.000 1.883 624 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 624 A C 2.219 179.792 177.584 -0.017 0.000 1.186 624 A CA 2.056 54.088 52.037 -0.009 0.000 0.624 624 A CB -0.572 18.420 19.000 -0.014 0.000 0.822 624 A HN 0.463 nan 8.150 nan 0.000 0.444 625 K N -0.489 119.902 120.400 -0.015 0.000 2.057 625 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 625 K C 2.169 178.755 176.600 -0.023 0.000 1.049 625 K CA 1.208 57.481 56.287 -0.024 0.000 0.931 625 K CB -0.320 32.165 32.500 -0.024 0.000 0.714 625 K HN 0.385 nan 8.250 nan 0.000 0.440 626 A N 1.379 124.189 122.820 -0.017 0.000 1.902 626 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 626 A C 1.987 179.561 177.584 -0.016 0.000 1.181 626 A CA 1.224 53.251 52.037 -0.016 0.000 0.623 626 A CB -0.423 18.571 19.000 -0.011 0.000 0.818 626 A HN 0.273 nan 8.150 nan 0.000 0.443 627 I N 0.010 120.569 120.570 -0.018 0.000 2.315 627 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 627 I C 2.917 179.012 176.117 -0.036 0.000 1.117 627 I CA 1.220 62.503 61.300 -0.028 0.000 1.404 627 I CB -1.632 36.348 38.000 -0.034 0.000 1.071 627 I HN 0.363 nan 8.210 nan 0.000 0.419 628 A N 1.249 124.049 122.820 -0.033 0.000 1.917 628 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 628 A C 2.366 179.933 177.584 -0.029 0.000 1.182 628 A CA 1.854 53.871 52.037 -0.033 0.000 0.633 628 A CB -0.518 18.462 19.000 -0.034 0.000 0.819 628 A HN 0.394 nan 8.150 nan 0.000 0.448 629 K N -1.029 119.356 120.400 -0.025 0.000 2.103 629 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 629 K C 2.161 178.750 176.600 -0.018 0.000 1.052 629 K CA 0.871 57.146 56.287 -0.020 0.000 0.945 629 K CB -0.400 32.089 32.500 -0.020 0.000 0.722 629 K HN 0.457 nan 8.250 nan 0.000 0.443 630 G N 1.285 110.074 108.800 -0.020 0.000 2.418 630 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 630 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 630 G C 1.541 176.424 174.900 -0.028 0.000 1.158 630 G CA 1.249 46.338 45.100 -0.018 0.000 0.771 630 G HN 0.282 nan 8.290 nan 0.000 0.545 631 V N -2.714 117.175 119.914 -0.042 0.000 3.608 631 V HA 0.555 4.675 4.120 -0.000 0.000 0.269 631 V C 1.685 177.758 176.094 -0.036 0.000 1.245 631 V CA 0.819 63.086 62.300 -0.056 0.000 1.138 631 V CB -0.276 31.488 31.823 -0.099 0.000 0.841 631 V HN 1.224 nan 8.190 nan 0.000 0.451 632 G N 0.630 109.416 108.800 -0.024 0.000 2.131 632 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.223 632 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.223 632 G C 0.454 175.350 174.900 -0.007 0.000 0.990 632 G CA 0.283 45.376 45.100 -0.011 0.000 0.671 632 G HN 0.360 nan 8.290 nan 0.000 0.521 633 I N 0.209 120.771 120.570 -0.014 0.000 2.226 633 I HA 0.066 4.236 4.170 -0.000 0.000 0.245 633 I C 1.678 177.792 176.117 -0.006 0.000 1.100 633 I CA 1.252 62.548 61.300 -0.007 0.000 1.374 633 I CB -0.581 37.410 38.000 -0.015 0.000 1.057 633 I HN 0.272 nan 8.210 nan 0.000 0.413 634 I N 1.639 122.202 120.570 -0.012 0.000 2.328 634 I HA 0.101 4.271 4.170 -0.000 0.000 0.287 634 I C 0.601 176.714 176.117 -0.007 0.000 1.012 634 I CA -0.361 60.933 61.300 -0.010 0.000 1.195 634 I CB 1.206 39.194 38.000 -0.019 0.000 1.350 634 I HN 0.068 nan 8.210 nan 0.000 0.464 635 S N 3.886 119.585 115.700 -0.001 0.000 2.614 635 S HA 0.315 4.785 4.470 -0.000 0.000 0.265 635 S C -0.134 174.464 174.600 -0.003 0.000 1.303 635 S CA -0.823 57.376 58.200 -0.001 0.000 1.000 635 S CB 1.288 64.490 63.200 0.004 0.000 0.935 635 S HN 0.528 nan 8.310 nan 0.000 0.551 636 E N 0.061 120.259 120.200 -0.004 0.000 2.376 636 E HA 0.433 4.783 4.350 -0.000 0.000 0.266 636 E C 1.319 177.916 176.600 -0.006 0.000 1.009 636 E CA 1.462 57.858 56.400 -0.007 0.000 0.902 636 E CB 0.077 29.773 29.700 -0.007 0.000 0.972 636 E HN 1.012 nan 8.360 nan 0.000 0.439 637 G N 3.823 112.618 108.800 -0.009 0.000 2.299 637 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.237 637 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.237 637 G C 0.238 175.135 174.900 -0.006 0.000 1.027 637 G CA -0.087 45.008 45.100 -0.008 0.000 0.619 637 G HN 0.553 nan 8.290 nan 0.000 0.513 638 N N 2.077 120.775 118.700 -0.003 0.000 2.492 638 N HA 0.411 5.151 4.740 -0.000 0.000 0.262 638 N C 0.047 175.557 175.510 0.001 0.000 1.202 638 N CA 0.638 53.690 53.050 0.003 0.000 0.926 638 N CB 0.758 39.251 38.487 0.008 0.000 1.078 638 N HN 0.660 nan 8.380 nan 0.000 0.454 639 E N -0.350 119.854 120.200 0.006 0.000 2.299 639 E HA 0.342 4.692 4.350 -0.000 0.000 0.265 639 E C -0.223 176.386 176.600 0.014 0.000 0.911 639 E CA -0.847 55.555 56.400 0.003 0.000 0.789 639 E CB 1.563 31.263 29.700 -0.001 0.000 1.246 639 E HN 0.570 nan 8.360 nan 0.000 0.427 640 T N -1.869 112.686 114.554 0.003 0.000 2.912 640 T HA 0.297 4.646 4.350 -0.000 0.000 0.280 640 T C 1.586 176.292 174.700 0.011 0.000 0.989 640 T CA -0.686 61.417 62.100 0.005 0.000 0.995 640 T CB 0.471 69.325 68.868 -0.024 0.000 1.077 640 T HN 0.577 nan 8.240 nan 0.000 0.531 641 I N -1.044 119.538 120.570 0.020 0.000 2.264 641 I HA -0.124 4.045 4.170 -0.000 0.000 0.248 641 I C 2.032 178.150 176.117 0.001 0.000 1.111 641 I CA 1.365 62.675 61.300 0.016 0.000 1.382 641 I CB -0.851 37.164 38.000 0.025 0.000 1.060 641 I HN 0.530 nan 8.210 nan 0.000 0.418 642 E N 1.693 121.890 120.200 -0.005 0.000 2.106 642 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 642 E C 1.839 178.430 176.600 -0.014 0.000 0.984 642 E CA 1.468 57.861 56.400 -0.011 0.000 0.806 642 E CB -0.355 29.335 29.700 -0.015 0.000 0.750 642 E HN 0.544 nan 8.360 nan 0.000 0.458 643 D N 0.369 120.760 120.400 -0.014 0.000 2.097 643 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 643 D C 1.914 178.206 176.300 -0.014 0.000 0.989 643 D CA 0.831 54.821 54.000 -0.017 0.000 0.827 643 D CB -0.124 40.666 40.800 -0.016 0.000 0.966 643 D HN 0.131 nan 8.370 nan 0.000 0.456 644 I N 1.445 122.009 120.570 -0.010 0.000 2.163 644 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 644 I C 2.583 178.693 176.117 -0.011 0.000 1.085 644 I CA 0.875 62.170 61.300 -0.010 0.000 1.347 644 I CB -1.356 36.640 38.000 -0.006 0.000 1.044 644 I HN -0.108 nan 8.210 nan 0.000 0.408 645 A N 1.005 123.819 122.820 -0.010 0.000 1.908 645 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 645 A C 2.567 180.143 177.584 -0.014 0.000 1.181 645 A CA 2.276 54.307 52.037 -0.011 0.000 0.627 645 A CB -0.760 18.234 19.000 -0.009 0.000 0.818 645 A HN 0.458 nan 8.150 nan 0.000 0.445 646 A N -0.837 121.973 122.820 -0.017 0.000 1.897 646 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 646 A C 2.253 179.825 177.584 -0.021 0.000 1.181 646 A CA 1.434 53.458 52.037 -0.020 0.000 0.620 646 A CB -0.455 18.530 19.000 -0.025 0.000 0.821 646 A HN 0.519 nan 8.150 nan 0.000 0.443 647 R N -0.882 119.606 120.500 -0.020 0.000 2.070 647 R HA -0.099 4.241 4.340 -0.000 0.000 0.233 647 R C 1.449 177.739 176.300 -0.017 0.000 1.137 647 R CA 1.570 57.658 56.100 -0.020 0.000 0.945 647 R CB -0.357 29.932 30.300 -0.018 0.000 0.845 647 R HN 0.386 nan 8.270 nan 0.000 0.430 648 L N 1.631 122.845 121.223 -0.015 0.000 2.610 648 L HA -0.021 4.319 4.340 -0.000 0.000 0.232 648 L C 0.336 177.198 176.870 -0.013 0.000 1.149 648 L CA 0.739 55.571 54.840 -0.013 0.000 0.872 648 L CB -1.168 40.884 42.059 -0.012 0.000 0.992 648 L HN 0.334 nan 8.230 nan 0.000 0.447 649 N N 0.782 119.473 118.700 -0.014 0.000 2.688 649 N HA -0.243 4.497 4.740 -0.000 0.000 0.258 649 N C -0.495 175.008 175.510 -0.012 0.000 1.016 649 N CA 0.960 54.002 53.050 -0.014 0.000 0.747 649 N CB -0.939 37.540 38.487 -0.014 0.000 0.895 649 N HN 0.544 nan 8.380 nan 0.000 0.543 650 I N -3.638 116.925 120.570 -0.011 0.000 2.934 650 I HA 0.766 4.936 4.170 -0.000 0.000 0.306 650 I C -2.334 173.778 176.117 -0.009 0.000 1.110 650 I CA -2.624 58.670 61.300 -0.009 0.000 1.019 650 I CB 2.065 40.060 38.000 -0.009 0.000 1.227 650 I HN -0.211 nan 8.210 nan 0.000 0.434 651 P HA 0.263 nan 4.420 nan 0.000 0.266 651 P C 0.718 178.015 177.300 -0.005 0.000 1.195 651 P CA 0.013 63.109 63.100 -0.006 0.000 0.768 651 P CB 0.754 32.451 31.700 -0.004 0.000 0.838 652 I N 1.543 122.111 120.570 -0.004 0.000 2.423 652 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 652 I C 2.255 178.373 176.117 0.001 0.000 1.151 652 I CA 1.768 63.067 61.300 -0.001 0.000 1.421 652 I CB -0.665 37.334 38.000 -0.001 0.000 1.079 652 I HN 0.536 nan 8.210 nan 0.000 0.431 653 G N -0.521 108.280 108.800 0.001 0.000 2.534 653 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 653 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 653 G C 1.522 176.421 174.900 -0.001 0.000 1.128 653 G CA 0.128 45.230 45.100 0.002 0.000 0.784 653 G HN 0.406 nan 8.290 nan 0.000 0.542 654 Q N -0.229 119.569 119.800 -0.003 0.000 2.425 654 Q HA 0.157 4.497 4.340 -0.000 0.000 0.204 654 Q C 0.108 176.103 176.000 -0.007 0.000 0.933 654 Q CA -0.110 55.690 55.803 -0.005 0.000 0.939 654 Q CB 0.293 29.028 28.738 -0.006 0.000 1.044 654 Q HN 0.244 nan 8.270 nan 0.000 0.513 655 V N 2.714 122.624 119.914 -0.006 0.000 2.461 655 V HA 0.068 4.188 4.120 -0.000 0.000 0.275 655 V C 0.135 176.223 176.094 -0.011 0.000 1.047 655 V CA -0.749 61.547 62.300 -0.008 0.000 0.955 655 V CB 1.148 32.968 31.823 -0.004 0.000 0.988 655 V HN 0.251 nan 8.190 nan 0.000 0.471 656 N N 8.053 126.741 118.700 -0.018 0.000 2.427 656 N HA 0.115 4.855 4.740 -0.000 0.000 0.269 656 N C -1.193 174.298 175.510 -0.032 0.000 1.235 656 N CA -1.685 51.347 53.050 -0.030 0.000 0.934 656 N CB 1.365 39.828 38.487 -0.039 0.000 1.121 656 N HN 0.340 nan 8.380 nan 0.000 0.480 657 P HA -0.077 nan 4.420 nan 0.000 0.223 657 P C 0.766 178.028 177.300 -0.063 0.000 1.151 657 P CA 0.758 63.850 63.100 -0.013 0.000 0.787 657 P CB 0.432 32.137 31.700 0.009 0.000 0.788 658 R N 0.131 120.556 120.500 -0.124 0.000 2.235 658 R HA -0.037 4.303 4.340 -0.000 0.000 0.213 658 R C 1.058 177.295 176.300 -0.105 0.000 1.059 658 R CA 0.805 56.802 56.100 -0.171 0.000 0.997 658 R CB -1.021 29.161 30.300 -0.197 0.000 0.884 658 R HN 0.250 nan 8.270 nan 0.000 0.462 659 D N 0.603 120.965 120.400 -0.064 0.000 2.363 659 D HA 0.015 4.655 4.640 -0.000 0.000 0.220 659 D C 0.063 176.351 176.300 -0.020 0.000 0.994 659 D CA 0.487 54.464 54.000 -0.039 0.000 0.890 659 D CB 0.229 41.012 40.800 -0.028 0.000 0.906 659 D HN 0.089 nan 8.370 nan 0.000 0.530 660 A N 0.719 123.534 122.820 -0.008 0.000 2.277 660 A HA 0.267 4.587 4.320 -0.000 0.000 0.318 660 A C 1.079 178.704 177.584 0.070 0.000 1.339 660 A CA -0.602 51.460 52.037 0.041 0.000 0.875 660 A CB 0.878 19.925 19.000 0.079 0.000 1.158 660 A HN -0.198 nan 8.150 nan 0.000 0.514 661 K N 1.250 121.687 120.400 0.062 0.000 2.365 661 K HA 0.135 4.455 4.320 -0.000 0.000 0.197 661 K C 0.795 177.506 176.600 0.186 0.000 1.042 661 K CA 0.924 57.256 56.287 0.075 0.000 0.987 661 K CB 0.322 32.842 32.500 0.034 0.000 0.779 661 K HN 0.726 nan 8.250 nan 0.000 0.484 662 A N 1.331 124.242 122.820 0.152 0.000 2.312 662 A HA 0.502 4.821 4.320 -0.000 0.000 0.328 662 A C 0.002 177.600 177.584 0.023 0.000 1.158 662 A CA -0.711 51.374 52.037 0.080 0.000 0.821 662 A CB 0.649 19.660 19.000 0.018 0.000 1.170 662 A HN 0.393 nan 8.150 nan 0.000 0.490 663 C N -0.252 118.951 119.300 -0.162 0.000 2.994 663 C HA 0.843 5.303 4.460 -0.000 0.000 0.305 663 C C -0.907 173.912 174.990 -0.286 0.000 1.251 663 C CA -0.757 58.078 59.018 -0.305 0.000 1.478 663 C CB 0.720 28.036 27.740 -0.708 0.000 1.922 663 C HN 0.698 nan 8.230 nan 0.000 0.472 664 V N 2.660 122.439 119.914 -0.225 0.000 2.409 664 V HA 0.522 4.642 4.120 -0.000 0.000 0.290 664 V C -0.362 175.636 176.094 -0.159 0.000 1.017 664 V CA -0.232 61.956 62.300 -0.186 0.000 0.841 664 V CB 1.395 33.163 31.823 -0.093 0.000 1.003 664 V HN 0.848 nan 8.190 nan 0.000 0.426 665 V N 4.665 124.450 119.914 -0.213 0.000 2.347 665 V HA 0.364 4.484 4.120 -0.000 0.000 0.280 665 V C 0.197 176.329 176.094 0.064 0.000 1.021 665 V CA -0.651 61.605 62.300 -0.073 0.000 0.847 665 V CB 1.246 33.011 31.823 -0.098 0.000 0.990 665 V HN 0.825 nan 8.190 nan 0.000 0.444 666 H N 3.354 122.438 119.070 0.023 0.000 2.652 666 H HA 0.153 4.709 4.556 -0.000 0.000 0.349 666 H C 1.360 176.731 175.328 0.071 0.000 1.099 666 H CA 0.768 56.844 56.048 0.047 0.000 1.417 666 H CB 1.951 31.735 29.762 0.037 0.000 1.457 666 H HN 0.732 nan 8.280 nan 0.000 0.568 667 G N 2.789 111.526 108.800 -0.106 0.000 2.450 667 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 667 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 667 G C 1.674 176.676 174.900 0.170 0.000 1.130 667 G CA 0.806 45.920 45.100 0.023 0.000 0.760 667 G HN 0.577 nan 8.290 nan 0.000 0.557 668 S N 0.562 116.511 115.700 0.414 0.000 2.399 668 S HA -0.076 4.393 4.470 -0.000 0.000 0.231 668 S C 1.959 176.652 174.600 0.155 0.000 1.022 668 S CA 1.364 59.718 58.200 0.255 0.000 0.983 668 S CB -0.154 63.164 63.200 0.196 0.000 0.803 668 S HN 0.428 nan 8.310 nan 0.000 0.480 669 D N 1.191 121.694 120.400 0.172 0.000 2.183 669 D HA 0.045 4.685 4.640 -0.000 0.000 0.205 669 D C 1.910 178.272 176.300 0.103 0.000 0.962 669 D CA 0.284 54.349 54.000 0.109 0.000 0.849 669 D CB -0.506 40.352 40.800 0.097 0.000 0.978 669 D HN 0.254 nan 8.370 nan 0.000 0.488 670 L N 1.216 122.513 121.223 0.124 0.000 2.081 670 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 670 L C 2.388 179.292 176.870 0.058 0.000 1.080 670 L CA 1.437 56.338 54.840 0.102 0.000 0.754 670 L CB -0.128 41.993 42.059 0.103 0.000 0.893 670 L HN 0.000 nan 8.230 nan 0.000 0.433 671 K N -0.445 119.990 120.400 0.058 0.000 2.103 671 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 671 K C 0.897 177.519 176.600 0.036 0.000 1.048 671 K CA 1.903 58.214 56.287 0.039 0.000 0.930 671 K CB -0.066 32.464 32.500 0.049 0.000 0.716 671 K HN 0.401 nan 8.250 nan 0.000 0.444 672 D N 0.687 121.114 120.400 0.045 0.000 2.342 672 D HA 0.097 4.737 4.640 -0.000 0.000 0.221 672 D C -0.123 176.199 176.300 0.037 0.000 1.101 672 D CA 0.177 54.200 54.000 0.038 0.000 0.837 672 D CB 0.295 41.120 40.800 0.040 0.000 0.938 672 D HN 0.209 nan 8.370 nan 0.000 0.508 673 L N 1.094 122.340 121.223 0.039 0.000 2.309 673 L HA 0.220 4.560 4.340 -0.000 0.000 0.282 673 L C 1.002 177.886 176.870 0.022 0.000 1.036 673 L CA -0.676 54.186 54.840 0.038 0.000 0.806 673 L CB 1.723 43.815 42.059 0.055 0.000 1.220 673 L HN -0.123 nan 8.230 nan 0.000 0.429 674 S N -0.340 115.372 115.700 0.020 0.000 2.614 674 S HA 0.102 4.572 4.470 -0.000 0.000 0.265 674 S C 1.234 175.834 174.600 -0.001 0.000 1.303 674 S CA -0.038 58.166 58.200 0.008 0.000 1.000 674 S CB 1.256 64.462 63.200 0.010 0.000 0.935 674 S HN 0.773 nan 8.310 nan 0.000 0.551 675 T N -0.368 114.177 114.554 -0.014 0.000 2.833 675 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 675 T C 1.238 175.918 174.700 -0.034 0.000 1.054 675 T CA 1.482 63.564 62.100 -0.031 0.000 1.135 675 T CB -0.729 68.117 68.868 -0.037 0.000 0.869 675 T HN 0.699 nan 8.240 nan 0.000 0.466 676 E N 1.086 121.273 120.200 -0.021 0.000 2.110 676 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 676 E C 2.281 178.872 176.600 -0.016 0.000 0.988 676 E CA 0.613 57.001 56.400 -0.021 0.000 0.804 676 E CB -0.738 28.961 29.700 -0.001 0.000 0.745 676 E HN 0.373 nan 8.360 nan 0.000 0.458 677 V N 0.543 120.462 119.914 0.007 0.000 2.591 677 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 677 V C 2.012 178.126 176.094 0.033 0.000 1.053 677 V CA 1.047 63.367 62.300 0.033 0.000 1.068 677 V CB -0.316 31.537 31.823 0.049 0.000 0.689 677 V HN 0.239 nan 8.190 nan 0.000 0.462 678 L N -0.580 120.653 121.223 0.017 0.000 2.093 678 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 678 L C 2.334 179.190 176.870 -0.024 0.000 1.085 678 L CA 1.512 56.370 54.840 0.029 0.000 0.755 678 L CB -0.727 41.327 42.059 -0.008 0.000 0.904 678 L HN 0.332 nan 8.230 nan 0.000 0.435 679 D N 0.146 120.483 120.400 -0.104 0.000 2.117 679 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 679 D C 1.697 177.783 176.300 -0.357 0.000 0.987 679 D CA 1.305 55.150 54.000 -0.259 0.000 0.829 679 D CB -0.065 40.583 40.800 -0.254 0.000 0.961 679 D HN 0.360 nan 8.370 nan 0.000 0.460 680 D N 0.641 120.915 120.400 -0.210 0.000 2.117 680 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 680 D C 2.371 178.579 176.300 -0.153 0.000 0.987 680 D CA 0.390 54.214 54.000 -0.293 0.000 0.829 680 D CB -0.117 40.645 40.800 -0.063 0.000 0.961 680 D HN 0.267 nan 8.370 nan 0.000 0.460 681 I N 0.618 121.232 120.570 0.073 0.000 2.163 681 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 681 I C 2.195 178.462 176.117 0.250 0.000 1.085 681 I CA 0.648 62.092 61.300 0.241 0.000 1.347 681 I CB -0.067 38.026 38.000 0.154 0.000 1.044 681 I HN 0.002 nan 8.210 nan 0.000 0.408 682 L N -0.173 121.102 121.223 0.087 0.000 2.046 682 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 682 L C 2.437 179.355 176.870 0.080 0.000 1.077 682 L CA 1.952 56.833 54.840 0.069 0.000 0.747 682 L CB -1.376 40.664 42.059 -0.032 0.000 0.896 682 L HN 0.304 nan 8.230 nan 0.000 0.432 683 H N -2.961 116.057 119.070 -0.086 0.000 2.423 683 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 683 H C 1.264 176.549 175.328 -0.071 0.000 1.075 683 H CA 1.000 56.949 56.048 -0.165 0.000 1.342 683 H CB 0.226 29.748 29.762 -0.399 0.000 1.395 683 H HN 0.240 nan 8.280 nan 0.000 0.530 684 Y N -0.514 119.854 120.300 0.113 0.000 2.466 684 Y HA 0.128 4.678 4.550 -0.000 0.000 0.272 684 Y C -0.049 175.590 175.900 -0.434 0.000 1.169 684 Y CA 0.044 58.053 58.100 -0.152 0.000 1.285 684 Y CB -0.007 38.317 38.460 -0.227 0.000 1.078 684 Y HN 0.213 nan 8.280 nan 0.000 0.523 685 H N -2.228 116.941 119.070 0.166 0.000 2.679 685 H HA 0.323 4.879 4.556 -0.000 0.000 0.360 685 H C 1.094 176.457 175.328 0.060 0.000 1.105 685 H CA -0.104 55.995 56.048 0.085 0.000 1.196 685 H CB 1.553 31.336 29.762 0.036 0.000 1.636 685 H HN -0.062 nan 8.280 nan 0.000 0.531 686 T N -1.122 113.519 114.554 0.144 0.000 3.044 686 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 686 T C 0.365 175.111 174.700 0.076 0.000 1.073 686 T CA 0.224 62.378 62.100 0.091 0.000 1.125 686 T CB 0.241 69.145 68.868 0.059 0.000 0.908 686 T HN 0.574 nan 8.240 nan 0.000 0.480 687 E N 1.206 121.452 120.200 0.077 0.000 2.331 687 E HA 0.502 4.852 4.350 -0.000 0.000 0.243 687 E C -1.162 175.425 176.600 -0.022 0.000 0.925 687 E CA -0.340 56.077 56.400 0.028 0.000 0.760 687 E CB 1.483 31.195 29.700 0.020 0.000 1.254 687 E HN 0.477 nan 8.360 nan 0.000 0.419 688 I N 2.232 122.771 120.570 -0.052 0.000 2.433 688 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 688 I C -0.445 175.555 176.117 -0.196 0.000 1.001 688 I CA -1.221 59.968 61.300 -0.185 0.000 1.119 688 I CB 1.979 39.868 38.000 -0.185 0.000 1.289 688 I HN 0.132 nan 8.210 nan 0.000 0.438 689 V N 6.541 126.267 119.914 -0.315 0.000 2.443 689 V HA 0.374 4.494 4.120 -0.000 0.000 0.293 689 V C -0.761 175.126 176.094 -0.346 0.000 1.021 689 V CA -0.483 61.687 62.300 -0.217 0.000 0.848 689 V CB 1.439 33.183 31.823 -0.132 0.000 0.998 689 V HN 0.410 nan 8.190 nan 0.000 0.424 690 F N 3.750 123.669 119.950 -0.051 0.000 2.334 690 F HA 0.747 5.274 4.527 -0.000 0.000 0.367 690 F C 0.659 176.410 175.800 -0.081 0.000 1.115 690 F CA -0.276 57.687 58.000 -0.062 0.000 1.116 690 F CB 1.434 40.400 39.000 -0.056 0.000 1.230 690 F HN 0.566 nan 8.300 nan 0.000 0.484 691 A N 2.651 125.495 122.820 0.040 0.000 2.330 691 A HA 0.787 5.107 4.320 -0.000 0.000 0.329 691 A C 0.580 178.045 177.584 -0.197 0.000 1.135 691 A CA -0.919 51.081 52.037 -0.063 0.000 0.817 691 A CB 0.933 19.896 19.000 -0.062 0.000 1.269 691 A HN 0.739 nan 8.150 nan 0.000 0.469 692 R N -0.438 119.915 120.500 -0.244 0.000 3.516 692 R HA -0.138 4.202 4.340 -0.000 0.000 0.271 692 R C 0.251 176.407 176.300 -0.240 0.000 1.098 692 R CA 1.191 57.087 56.100 -0.340 0.000 0.732 692 R CB -2.650 27.247 30.300 -0.670 0.000 1.152 692 R HN 1.272 nan 8.270 nan 0.000 0.455 693 T N -2.373 112.096 114.554 -0.142 0.000 2.910 693 T HA 0.549 4.899 4.350 -0.000 0.000 0.293 693 T C 0.743 175.383 174.700 -0.100 0.000 1.015 693 T CA -0.190 61.852 62.100 -0.096 0.000 1.094 693 T CB 1.652 70.478 68.868 -0.069 0.000 0.968 693 T HN 0.401 nan 8.240 nan 0.000 0.521 694 S N 2.063 117.710 115.700 -0.088 0.000 2.645 694 S HA 0.371 4.841 4.470 -0.000 0.000 0.266 694 S C -1.850 172.702 174.600 -0.080 0.000 1.258 694 S CA -1.374 56.773 58.200 -0.088 0.000 0.990 694 S CB 0.586 63.739 63.200 -0.077 0.000 0.967 694 S HN 0.475 nan 8.310 nan 0.000 0.556 695 P HA -0.084 nan 4.420 nan 0.000 0.216 695 P C 1.215 178.481 177.300 -0.056 0.000 1.153 695 P CA 1.272 64.341 63.100 -0.051 0.000 0.848 695 P CB -0.094 31.590 31.700 -0.027 0.000 0.787 696 Q N -0.405 119.359 119.800 -0.060 0.000 2.124 696 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 696 Q C 2.256 178.207 176.000 -0.082 0.000 0.977 696 Q CA 1.380 57.145 55.803 -0.064 0.000 0.850 696 Q CB -0.976 27.727 28.738 -0.059 0.000 0.901 696 Q HN 0.398 nan 8.270 nan 0.000 0.429 697 Q N 0.506 120.251 119.800 -0.092 0.000 2.124 697 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 697 Q C 1.821 177.717 176.000 -0.174 0.000 0.977 697 Q CA 1.033 56.760 55.803 -0.127 0.000 0.850 697 Q CB 0.009 28.679 28.738 -0.112 0.000 0.901 697 Q HN 0.350 nan 8.270 nan 0.000 0.429 698 K N 0.353 120.672 120.400 -0.135 0.000 2.057 698 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 698 K C 2.099 178.623 176.600 -0.126 0.000 1.049 698 K CA 0.904 57.111 56.287 -0.134 0.000 0.931 698 K CB -0.262 32.189 32.500 -0.082 0.000 0.714 698 K HN 0.103 nan 8.250 nan 0.000 0.440 699 L N 1.957 123.122 121.223 -0.096 0.000 2.012 699 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 699 L C 2.022 178.830 176.870 -0.103 0.000 1.073 699 L CA 1.557 56.347 54.840 -0.082 0.000 0.748 699 L CB -0.392 41.630 42.059 -0.063 0.000 0.891 699 L HN 0.127 nan 8.230 nan 0.000 0.431 700 I N -0.795 119.701 120.570 -0.123 0.000 2.208 700 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 700 I C 2.382 178.388 176.117 -0.185 0.000 1.097 700 I CA 1.731 62.949 61.300 -0.137 0.000 1.363 700 I CB -0.273 37.645 38.000 -0.136 0.000 1.051 700 I HN 0.274 nan 8.210 nan 0.000 0.413 701 I N -0.429 119.978 120.570 -0.272 0.000 2.252 701 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 701 I C 2.464 178.468 176.117 -0.189 0.000 1.102 701 I CA 0.999 62.086 61.300 -0.355 0.000 1.385 701 I CB -0.318 37.319 38.000 -0.605 0.000 1.064 701 I HN -0.013 nan 8.210 nan 0.000 0.414 702 V N 0.637 120.468 119.914 -0.138 0.000 2.295 702 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 702 V C 2.411 178.463 176.094 -0.069 0.000 1.049 702 V CA 1.985 64.237 62.300 -0.081 0.000 1.024 702 V CB -0.584 31.201 31.823 -0.062 0.000 0.648 702 V HN 0.435 nan 8.190 nan 0.000 0.447 703 E N 0.016 120.170 120.200 -0.077 0.000 2.077 703 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 703 E C 2.308 178.868 176.600 -0.067 0.000 0.989 703 E CA 1.216 57.578 56.400 -0.064 0.000 0.800 703 E CB -0.517 29.145 29.700 -0.063 0.000 0.746 703 E HN 0.661 nan 8.360 nan 0.000 0.452 704 G N 1.100 109.848 108.800 -0.088 0.000 2.476 704 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.218 704 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.218 704 G C 1.756 176.610 174.900 -0.077 0.000 1.164 704 G CA 1.140 46.185 45.100 -0.092 0.000 0.768 704 G HN 0.316 nan 8.290 nan 0.000 0.560 705 C N 0.109 119.374 119.300 -0.058 0.000 2.429 705 C HA -0.052 4.408 4.460 -0.000 0.000 0.277 705 C C 2.977 177.953 174.990 -0.023 0.000 1.262 705 C CA 1.121 60.121 59.018 -0.029 0.000 1.733 705 C CB -1.071 26.663 27.740 -0.010 0.000 2.010 705 C HN 0.543 nan 8.230 nan 0.000 0.483 706 Q N 0.070 119.852 119.800 -0.029 0.000 2.124 706 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 706 Q C 2.388 178.377 176.000 -0.020 0.000 0.977 706 Q CA 1.218 57.008 55.803 -0.022 0.000 0.850 706 Q CB -0.259 28.463 28.738 -0.026 0.000 0.901 706 Q HN 0.607 nan 8.270 nan 0.000 0.429 707 R N 0.549 121.031 120.500 -0.030 0.000 2.127 707 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 707 R C 1.691 177.985 176.300 -0.010 0.000 1.134 707 R CA 1.124 57.209 56.100 -0.026 0.000 0.975 707 R CB 0.211 30.485 30.300 -0.043 0.000 0.865 707 R HN 0.268 nan 8.270 nan 0.000 0.447 708 Q N -0.944 118.854 119.800 -0.004 0.000 2.482 708 Q HA 0.082 4.422 4.340 -0.000 0.000 0.209 708 Q C 0.918 176.945 176.000 0.044 0.000 0.961 708 Q CA 0.953 56.786 55.803 0.050 0.000 0.945 708 Q CB 0.919 29.706 28.738 0.083 0.000 1.012 708 Q HN 0.592 nan 8.270 nan 0.000 0.515 709 G N 0.558 109.367 108.800 0.016 0.000 2.141 709 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.231 709 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.231 709 G C 0.220 175.120 174.900 0.001 0.000 0.984 709 G CA 0.044 45.148 45.100 0.007 0.000 0.660 709 G HN 0.601 nan 8.290 nan 0.000 0.525 710 A N 0.593 123.414 122.820 0.003 0.000 2.310 710 A HA 0.729 5.049 4.320 -0.000 0.000 0.299 710 A C 0.529 178.106 177.584 -0.012 0.000 1.147 710 A CA -0.521 51.514 52.037 -0.002 0.000 0.818 710 A CB 0.474 19.479 19.000 0.008 0.000 1.096 710 A HN 0.568 nan 8.150 nan 0.000 0.495 711 I N 3.283 123.841 120.570 -0.020 0.000 2.396 711 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 711 I C 0.370 176.475 176.117 -0.019 0.000 1.056 711 I CA 0.139 61.424 61.300 -0.025 0.000 1.365 711 I CB 0.347 38.323 38.000 -0.039 0.000 1.407 711 I HN 0.440 nan 8.210 nan 0.000 0.509 712 V N 4.467 124.371 119.914 -0.017 0.000 2.495 712 V HA 0.929 5.049 4.120 -0.000 0.000 0.298 712 V C -0.014 176.072 176.094 -0.014 0.000 1.031 712 V CA -0.631 61.663 62.300 -0.011 0.000 0.871 712 V CB 1.473 33.291 31.823 -0.009 0.000 0.988 712 V HN 0.800 nan 8.190 nan 0.000 0.432 713 A N 4.829 127.643 122.820 -0.010 0.000 2.312 713 A HA 0.860 5.180 4.320 -0.000 0.000 0.326 713 A C -0.423 177.160 177.584 -0.001 0.000 1.172 713 A CA -0.649 51.380 52.037 -0.014 0.000 0.821 713 A CB 1.534 20.520 19.000 -0.024 0.000 1.166 713 A HN 1.330 nan 8.150 nan 0.000 0.493 714 V N 1.974 121.885 119.914 -0.004 0.000 2.513 714 V HA 0.626 4.746 4.120 -0.000 0.000 0.299 714 V C 0.268 176.369 176.094 0.012 0.000 1.035 714 V CA -0.191 62.114 62.300 0.009 0.000 0.889 714 V CB 1.904 33.727 31.823 0.000 0.000 0.988 714 V HN 1.064 nan 8.190 nan 0.000 0.440 715 T N 1.169 115.751 114.554 0.046 0.000 2.807 715 T HA 0.894 5.244 4.350 -0.000 0.000 0.279 715 T C -0.060 174.688 174.700 0.079 0.000 0.993 715 T CA -0.317 61.824 62.100 0.068 0.000 0.970 715 T CB 1.725 70.684 68.868 0.152 0.000 0.950 715 T HN 1.144 nan 8.240 nan 0.000 0.441 716 G N 1.251 110.084 108.800 0.055 0.000 2.606 716 G HA2 0.591 4.551 3.960 -0.000 0.000 0.300 716 G HA3 0.591 4.551 3.960 -0.000 0.000 0.300 716 G C -0.969 173.946 174.900 0.024 0.000 1.360 716 G CA -0.357 44.766 45.100 0.037 0.000 0.783 716 G HN 0.694 nan 8.290 nan 0.000 0.484 717 D N -1.762 118.642 120.400 0.006 0.000 2.430 717 D HA 0.197 4.837 4.640 -0.000 0.000 0.289 717 D C 0.832 177.115 176.300 -0.027 0.000 1.215 717 D CA 0.704 54.701 54.000 -0.005 0.000 0.838 717 D CB 0.261 41.063 40.800 0.005 0.000 1.290 717 D HN 0.842 nan 8.370 nan 0.000 0.521 718 G N 0.747 109.527 108.800 -0.033 0.000 2.509 718 G HA2 0.452 4.412 3.960 -0.000 0.000 0.328 718 G HA3 0.452 4.412 3.960 -0.000 0.000 0.328 718 G C 1.099 175.959 174.900 -0.067 0.000 1.194 718 G CA -0.152 44.916 45.100 -0.054 0.000 0.967 718 G HN 0.238 nan 8.290 nan 0.000 0.488 719 V N -0.536 119.318 119.914 -0.101 0.000 2.809 719 V HA -0.088 4.032 4.120 -0.000 0.000 0.256 719 V C 1.898 177.974 176.094 -0.031 0.000 1.080 719 V CA 1.838 64.061 62.300 -0.128 0.000 1.102 719 V CB -0.647 31.021 31.823 -0.259 0.000 0.705 719 V HN 0.706 nan 8.190 nan 0.000 0.475 720 N N 0.061 118.740 118.700 -0.035 0.000 2.521 720 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 720 N C 0.855 176.357 175.510 -0.014 0.000 1.146 720 N CA 1.251 54.289 53.050 -0.020 0.000 0.893 720 N CB -0.369 38.088 38.487 -0.051 0.000 0.975 720 N HN 0.565 nan 8.380 nan 0.000 0.451 721 D N 0.041 120.434 120.400 -0.012 0.000 2.379 721 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 721 D C 1.732 178.037 176.300 0.009 0.000 1.065 721 D CA 0.317 54.313 54.000 -0.007 0.000 0.848 721 D CB 0.353 41.147 40.800 -0.009 0.000 0.949 721 D HN 0.388 nan 8.370 nan 0.000 0.509 722 S N 1.422 117.142 115.700 0.033 0.000 2.353 722 S HA -0.107 4.363 4.470 -0.000 0.000 0.222 722 S C -0.625 174.008 174.600 0.054 0.000 1.035 722 S CA 0.902 59.141 58.200 0.065 0.000 1.025 722 S CB -1.571 61.719 63.200 0.149 0.000 0.902 722 S HN 0.105 nan 8.310 nan 0.000 0.440 723 P HA 0.007 nan 4.420 nan 0.000 0.215 723 P C 1.762 179.059 177.300 -0.005 0.000 1.157 723 P CA 1.929 65.037 63.100 0.013 0.000 0.868 723 P CB -0.444 31.253 31.700 -0.006 0.000 0.788 724 A N -0.357 122.455 122.820 -0.013 0.000 1.933 724 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 724 A C 2.380 179.955 177.584 -0.014 0.000 1.175 724 A CA 1.444 53.467 52.037 -0.024 0.000 0.628 724 A CB -1.674 17.308 19.000 -0.031 0.000 0.814 724 A HN 0.121 nan 8.150 nan 0.000 0.444 725 L N -1.018 120.202 121.223 -0.005 0.000 2.093 725 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 725 L C 2.665 179.532 176.870 -0.004 0.000 1.085 725 L CA 1.276 56.114 54.840 -0.004 0.000 0.755 725 L CB -0.336 41.724 42.059 0.000 0.000 0.904 725 L HN 0.227 nan 8.230 nan 0.000 0.435 726 K N 0.596 120.997 120.400 0.002 0.000 2.025 726 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 726 K C 2.146 178.741 176.600 -0.008 0.000 1.049 726 K CA 1.442 57.730 56.287 0.001 0.000 0.933 726 K CB -0.017 32.489 32.500 0.009 0.000 0.714 726 K HN -0.020 nan 8.250 nan 0.000 0.438 727 K N 0.836 121.228 120.400 -0.013 0.000 2.155 727 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 727 K C 0.133 176.721 176.600 -0.020 0.000 1.052 727 K CA 0.627 56.903 56.287 -0.019 0.000 0.948 727 K CB -0.478 32.006 32.500 -0.027 0.000 0.728 727 K HN 0.150 nan 8.250 nan 0.000 0.448 728 A N 1.524 124.332 122.820 -0.019 0.000 2.587 728 A HA -0.083 4.237 4.320 -0.000 0.000 0.233 728 A C 0.585 178.158 177.584 -0.018 0.000 1.049 728 A CA 0.565 52.591 52.037 -0.019 0.000 0.754 728 A CB -0.022 18.968 19.000 -0.017 0.000 0.977 728 A HN 0.456 nan 8.150 nan 0.000 0.509 729 D N 0.022 120.411 120.400 -0.019 0.000 2.182 729 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 729 D C 0.503 176.790 176.300 -0.020 0.000 0.986 729 D CA 1.958 55.947 54.000 -0.019 0.000 0.847 729 D CB 0.078 40.866 40.800 -0.021 0.000 0.942 729 D HN 0.581 nan 8.370 nan 0.000 0.467 730 I N -0.351 120.206 120.570 -0.022 0.000 2.586 730 I HA 0.392 4.562 4.170 -0.000 0.000 0.288 730 I C -0.941 175.161 176.117 -0.025 0.000 1.147 730 I CA -0.616 60.669 61.300 -0.026 0.000 1.047 730 I CB 2.097 40.079 38.000 -0.030 0.000 1.244 730 I HN -0.185 nan 8.210 nan 0.000 0.429 731 G N 6.762 115.548 108.800 -0.024 0.000 2.343 731 G HA2 0.594 4.554 3.960 -0.000 0.000 0.319 731 G HA3 0.594 4.554 3.960 -0.000 0.000 0.319 731 G C -1.259 173.624 174.900 -0.029 0.000 1.126 731 G CA -0.433 44.654 45.100 -0.021 0.000 0.889 731 G HN 0.430 nan 8.290 nan 0.000 0.457 732 V N 1.661 121.556 119.914 -0.032 0.000 2.409 732 V HA 0.699 4.819 4.120 -0.000 0.000 0.291 732 V C 0.441 176.519 176.094 -0.026 0.000 1.020 732 V CA -0.808 61.466 62.300 -0.044 0.000 0.848 732 V CB 1.046 32.820 31.823 -0.082 0.000 0.990 732 V HN 1.057 nan 8.190 nan 0.000 0.430 733 A N 6.381 129.187 122.820 -0.022 0.000 2.306 733 A HA 0.886 5.206 4.320 -0.000 0.000 0.330 733 A C -0.152 177.429 177.584 -0.005 0.000 1.146 733 A CA -0.763 51.268 52.037 -0.010 0.000 0.827 733 A CB 0.978 19.970 19.000 -0.014 0.000 1.178 733 A HN 0.697 nan 8.150 nan 0.000 0.490 734 M N 2.083 121.690 119.600 0.012 0.000 2.217 734 M HA 0.197 4.677 4.480 -0.000 0.000 0.354 734 M C 1.395 177.698 176.300 0.005 0.000 1.225 734 M CA 0.167 55.478 55.300 0.020 0.000 1.137 734 M CB 0.497 33.121 32.600 0.040 0.000 1.576 734 M HN 0.890 nan 8.290 nan 0.000 0.461 735 G N 3.015 111.818 108.800 0.004 0.000 2.411 735 G HA2 0.032 3.992 3.960 -0.000 0.000 0.213 735 G HA3 0.032 3.992 3.960 -0.000 0.000 0.213 735 G C 1.385 176.284 174.900 -0.001 0.000 1.166 735 G CA 0.273 45.372 45.100 -0.002 0.000 0.802 735 G HN 0.661 nan 8.290 nan 0.000 0.533 736 I N 1.345 121.918 120.570 0.005 0.000 2.235 736 I HA -0.072 4.098 4.170 -0.000 0.000 0.241 736 I C 3.014 179.132 176.117 0.002 0.000 1.085 736 I CA 1.490 62.793 61.300 0.004 0.000 1.378 736 I CB -0.240 37.765 38.000 0.009 0.000 1.076 736 I HN 0.307 nan 8.210 nan 0.000 0.415 737 S N 0.909 116.612 115.700 0.006 0.000 2.489 737 S HA 0.075 4.545 4.470 -0.000 0.000 0.228 737 S C 1.324 175.919 174.600 -0.008 0.000 0.995 737 S CA 0.128 58.329 58.200 0.001 0.000 0.934 737 S CB -0.892 62.313 63.200 0.008 0.000 0.771 737 S HN 0.335 nan 8.310 nan 0.000 0.522 738 G N 2.093 110.888 108.800 -0.008 0.000 2.441 738 G HA2 0.408 4.368 3.960 -0.000 0.000 0.243 738 G HA3 0.408 4.368 3.960 -0.000 0.000 0.243 738 G C 0.031 174.911 174.900 -0.033 0.000 1.281 738 G CA 0.027 45.116 45.100 -0.018 0.000 0.854 738 G HN 0.616 nan 8.290 nan 0.000 0.560 739 S N 1.125 116.795 115.700 -0.049 0.000 2.585 739 S HA 0.078 4.548 4.470 -0.000 0.000 0.273 739 S C 1.039 175.594 174.600 -0.075 0.000 1.339 739 S CA 0.166 58.323 58.200 -0.072 0.000 1.028 739 S CB 1.614 64.753 63.200 -0.102 0.000 0.906 739 S HN 0.626 nan 8.310 nan 0.000 0.528 740 D N 1.283 121.633 120.400 -0.083 0.000 2.116 740 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 740 D C 1.671 177.917 176.300 -0.090 0.000 0.998 740 D CA 1.675 55.630 54.000 -0.075 0.000 0.836 740 D CB -0.426 40.330 40.800 -0.073 0.000 0.951 740 D HN 0.379 nan 8.370 nan 0.000 0.449 741 V N 0.557 120.380 119.914 -0.150 0.000 2.255 741 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 741 V C 2.698 178.740 176.094 -0.087 0.000 1.051 741 V CA 2.235 64.431 62.300 -0.174 0.000 1.018 741 V CB -1.153 30.441 31.823 -0.382 0.000 0.641 741 V HN 0.412 nan 8.190 nan 0.000 0.445 742 S N 2.022 117.673 115.700 -0.082 0.000 2.370 742 S HA -0.303 4.167 4.470 -0.000 0.000 0.226 742 S C 1.911 176.494 174.600 -0.028 0.000 1.033 742 S CA 1.877 60.052 58.200 -0.042 0.000 1.011 742 S CB -0.631 62.545 63.200 -0.040 0.000 0.852 742 S HN 0.834 nan 8.310 nan 0.000 0.457 743 K N 0.437 120.817 120.400 -0.033 0.000 2.288 743 K HA 0.049 4.369 4.320 -0.000 0.000 0.201 743 K C 2.078 178.667 176.600 -0.019 0.000 1.048 743 K CA 0.784 57.056 56.287 -0.024 0.000 0.956 743 K CB -0.209 32.276 32.500 -0.024 0.000 0.746 743 K HN 0.255 nan 8.250 nan 0.000 0.461 744 Q N 0.850 120.639 119.800 -0.018 0.000 2.172 744 Q HA 0.034 4.374 4.340 -0.000 0.000 0.200 744 Q C 2.108 178.111 176.000 0.005 0.000 0.964 744 Q CA 1.571 57.371 55.803 -0.004 0.000 0.855 744 Q CB -0.051 28.690 28.738 0.005 0.000 0.918 744 Q HN 0.520 nan 8.270 nan 0.000 0.444 745 A N 0.396 123.220 122.820 0.007 0.000 2.169 745 A HA 0.347 4.667 4.320 -0.000 0.000 0.212 745 A C 1.123 178.707 177.584 0.001 0.000 1.153 745 A CA 0.617 52.663 52.037 0.015 0.000 0.756 745 A CB -0.066 18.951 19.000 0.028 0.000 0.813 745 A HN 0.238 nan 8.150 nan 0.000 0.471 746 A N -0.434 122.381 122.820 -0.008 0.000 2.264 746 A HA 0.507 4.827 4.320 -0.000 0.000 0.304 746 A C 0.254 177.825 177.584 -0.021 0.000 1.100 746 A CA -0.186 51.842 52.037 -0.016 0.000 0.839 746 A CB 0.488 19.477 19.000 -0.019 0.000 1.121 746 A HN 0.237 nan 8.150 nan 0.000 0.496 747 D N -0.384 120.000 120.400 -0.026 0.000 2.366 747 D HA 0.166 4.806 4.640 -0.000 0.000 0.205 747 D C -0.169 176.109 176.300 -0.036 0.000 1.022 747 D CA 0.947 54.927 54.000 -0.033 0.000 0.868 747 D CB 0.392 41.172 40.800 -0.032 0.000 0.953 747 D HN 0.487 nan 8.370 nan 0.000 0.514 748 M N 1.006 120.585 119.600 -0.035 0.000 2.421 748 M HA 0.284 4.764 4.480 -0.000 0.000 0.287 748 M C -2.103 174.176 176.300 -0.036 0.000 1.183 748 M CA -0.576 54.702 55.300 -0.038 0.000 0.916 748 M CB 2.946 35.519 32.600 -0.046 0.000 1.701 748 M HN -0.348 nan 8.290 nan 0.000 0.470 749 I N 5.265 125.815 120.570 -0.032 0.000 2.436 749 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 749 I C -0.702 175.398 176.117 -0.028 0.000 1.010 749 I CA -0.585 60.699 61.300 -0.027 0.000 1.098 749 I CB 1.578 39.566 38.000 -0.020 0.000 1.266 749 I HN 0.704 nan 8.210 nan 0.000 0.434 750 L N 6.516 127.723 121.223 -0.028 0.000 2.334 750 L HA 0.297 4.637 4.340 -0.000 0.000 0.286 750 L C 1.325 178.191 176.870 -0.007 0.000 1.108 750 L CA -0.300 54.525 54.840 -0.024 0.000 0.875 750 L CB 0.400 42.442 42.059 -0.029 0.000 1.246 750 L HN 0.549 nan 8.230 nan 0.000 0.439 751 L N 2.009 123.228 121.223 -0.007 0.000 2.362 751 L HA -0.134 4.206 4.340 -0.000 0.000 0.219 751 L C 1.274 178.146 176.870 0.004 0.000 1.134 751 L CA 0.785 55.624 54.840 -0.002 0.000 0.807 751 L CB -0.273 41.785 42.059 -0.003 0.000 0.927 751 L HN 0.755 nan 8.230 nan 0.000 0.447 752 D N -3.573 116.832 120.400 0.007 0.000 2.469 752 D HA -0.004 4.636 4.640 -0.000 0.000 0.215 752 D C 0.138 176.453 176.300 0.024 0.000 1.154 752 D CA -0.164 53.844 54.000 0.014 0.000 0.832 752 D CB 0.076 40.884 40.800 0.013 0.000 1.008 752 D HN -0.053 nan 8.370 nan 0.000 0.506 753 D N 0.558 120.976 120.400 0.029 0.000 2.945 753 D HA -0.218 4.422 4.640 -0.000 0.000 0.225 753 D C -0.402 175.946 176.300 0.080 0.000 1.158 753 D CA 0.516 54.548 54.000 0.053 0.000 0.805 753 D CB -2.175 38.655 40.800 0.050 0.000 1.098 753 D HN 0.586 nan 8.370 nan 0.000 0.426 754 N N 0.030 118.765 118.700 0.059 0.000 2.555 754 N HA 0.080 4.820 4.740 -0.000 0.000 0.244 754 N C 1.008 176.570 175.510 0.087 0.000 1.114 754 N CA -0.315 52.778 53.050 0.072 0.000 0.963 754 N CB -0.063 38.446 38.487 0.038 0.000 1.276 754 N HN 0.007 nan 8.380 nan 0.000 0.510 755 F N 3.670 123.621 119.950 0.001 0.000 2.307 755 F HA -0.143 4.384 4.527 -0.000 0.000 0.301 755 F C 2.278 178.079 175.800 0.002 0.000 1.076 755 F CA 1.180 59.180 58.000 0.001 0.000 1.383 755 F CB 0.111 39.112 39.000 0.001 0.000 1.055 755 F HN 0.639 nan 8.300 nan 0.000 0.526 756 A N -1.108 121.794 122.820 0.137 0.000 2.076 756 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 756 A C 2.340 179.913 177.584 -0.018 0.000 1.160 756 A CA 1.825 53.901 52.037 0.066 0.000 0.653 756 A CB -0.974 18.064 19.000 0.062 0.000 0.801 756 A HN 0.362 nan 8.150 nan 0.000 0.455 757 S N -0.302 115.364 115.700 -0.057 0.000 2.399 757 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 757 S C 1.660 176.181 174.600 -0.131 0.000 1.022 757 S CA 1.398 59.549 58.200 -0.081 0.000 0.983 757 S CB -0.437 62.718 63.200 -0.076 0.000 0.803 757 S HN 0.532 nan 8.310 nan 0.000 0.480 758 I N 1.210 121.633 120.570 -0.245 0.000 2.163 758 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 758 I C 2.200 178.238 176.117 -0.131 0.000 1.085 758 I CA 1.005 62.148 61.300 -0.261 0.000 1.347 758 I CB -0.631 37.071 38.000 -0.496 0.000 1.044 758 I HN 0.114 nan 8.210 nan 0.000 0.408 759 V N 0.053 119.917 119.914 -0.084 0.000 2.343 759 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 759 V C 2.445 178.524 176.094 -0.025 0.000 1.051 759 V CA 2.511 64.794 62.300 -0.028 0.000 1.036 759 V CB -1.189 30.639 31.823 0.008 0.000 0.654 759 V HN 0.492 nan 8.190 nan 0.000 0.451 760 T N 0.358 114.895 114.554 -0.029 0.000 2.746 760 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 760 T C 1.948 176.632 174.700 -0.026 0.000 1.039 760 T CA 1.528 63.616 62.100 -0.020 0.000 1.142 760 T CB -0.718 68.139 68.868 -0.019 0.000 0.866 760 T HN 0.615 nan 8.240 nan 0.000 0.444 761 G N 0.891 109.664 108.800 -0.045 0.000 2.446 761 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 761 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 761 G C 1.748 176.627 174.900 -0.035 0.000 1.168 761 G CA 0.918 45.991 45.100 -0.045 0.000 0.771 761 G HN 0.441 nan 8.290 nan 0.000 0.551 762 V N 0.419 120.310 119.914 -0.038 0.000 2.358 762 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 762 V C 2.511 178.597 176.094 -0.014 0.000 1.047 762 V CA 2.803 65.086 62.300 -0.029 0.000 1.035 762 V CB -0.135 31.671 31.823 -0.029 0.000 0.658 762 V HN 0.605 nan 8.190 nan 0.000 0.452 763 E N -0.681 119.514 120.200 -0.009 0.000 2.051 763 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 763 E C 2.220 178.825 176.600 0.009 0.000 0.991 763 E CA 1.581 57.983 56.400 0.003 0.000 0.799 763 E CB -0.126 29.577 29.700 0.005 0.000 0.748 763 E HN 0.646 nan 8.360 nan 0.000 0.449 764 E N -0.210 119.991 120.200 0.002 0.000 2.077 764 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 764 E C 2.089 178.698 176.600 0.015 0.000 0.989 764 E CA 1.096 57.498 56.400 0.003 0.000 0.800 764 E CB -0.549 29.146 29.700 -0.007 0.000 0.746 764 E HN 0.446 nan 8.360 nan 0.000 0.452 765 G N 1.357 110.164 108.800 0.012 0.000 2.440 765 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 765 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 765 G C 1.723 176.658 174.900 0.058 0.000 1.154 765 G CA 0.793 45.908 45.100 0.027 0.000 0.767 765 G HN 0.200 nan 8.290 nan 0.000 0.552 766 R N -0.848 119.675 120.500 0.038 0.000 2.073 766 R HA 0.086 4.426 4.340 -0.000 0.000 0.229 766 R C 2.439 178.808 176.300 0.115 0.000 1.120 766 R CA 0.762 56.898 56.100 0.060 0.000 0.967 766 R CB -0.533 29.782 30.300 0.024 0.000 0.862 766 R HN 0.313 nan 8.270 nan 0.000 0.436 767 L N 1.083 122.350 121.223 0.073 0.000 2.046 767 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 767 L C 2.049 178.958 176.870 0.064 0.000 1.077 767 L CA 1.477 56.354 54.840 0.063 0.000 0.747 767 L CB -0.512 41.567 42.059 0.033 0.000 0.896 767 L HN 0.099 nan 8.230 nan 0.000 0.432 768 I N -1.437 119.170 120.570 0.062 0.000 2.394 768 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 768 I C 2.239 178.402 176.117 0.076 0.000 1.136 768 I CA 1.143 62.469 61.300 0.043 0.000 1.425 768 I CB -0.531 37.486 38.000 0.029 0.000 1.079 768 I HN 0.305 nan 8.210 nan 0.000 0.425 769 F N 1.295 121.243 119.950 -0.004 0.000 2.102 769 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 769 F C 2.221 178.023 175.800 0.004 0.000 1.105 769 F CA 2.077 60.079 58.000 0.003 0.000 1.239 769 F CB -0.367 38.636 39.000 0.004 0.000 0.991 769 F HN 0.130 nan 8.300 nan 0.000 0.474 770 D N 0.036 120.520 120.400 0.140 0.000 2.097 770 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 770 D C 1.890 178.175 176.300 -0.024 0.000 0.984 770 D CA 1.286 55.315 54.000 0.048 0.000 0.826 770 D CB -0.673 40.179 40.800 0.088 0.000 0.973 770 D HN 0.258 nan 8.370 nan 0.000 0.460 771 N N 0.508 119.202 118.700 -0.010 0.000 2.289 771 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 771 N C 2.006 177.484 175.510 -0.054 0.000 1.016 771 N CA 0.265 53.303 53.050 -0.020 0.000 0.872 771 N CB -0.334 38.142 38.487 -0.018 0.000 0.973 771 N HN 0.262 nan 8.380 nan 0.000 0.433 772 L N 0.928 122.088 121.223 -0.104 0.000 2.056 772 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 772 L C 2.163 178.924 176.870 -0.181 0.000 1.078 772 L CA 1.147 55.901 54.840 -0.144 0.000 0.749 772 L CB -0.258 41.690 42.059 -0.186 0.000 0.901 772 L HN 0.148 nan 8.230 nan 0.000 0.433 773 K N 0.258 120.527 120.400 -0.218 0.000 2.032 773 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 773 K C 2.114 178.673 176.600 -0.068 0.000 1.048 773 K CA 1.555 57.730 56.287 -0.188 0.000 0.927 773 K CB -0.111 32.313 32.500 -0.127 0.000 0.712 773 K HN 0.307 nan 8.250 nan 0.000 0.441 774 K N 0.379 120.805 120.400 0.044 0.000 2.026 774 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 774 K C 2.426 179.079 176.600 0.089 0.000 1.048 774 K CA 1.583 57.954 56.287 0.140 0.000 0.929 774 K CB -0.290 32.265 32.500 0.092 0.000 0.713 774 K HN 0.038 nan 8.250 nan 0.000 0.439 775 S N 0.980 116.690 115.700 0.016 0.000 2.383 775 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 775 S C 1.970 176.582 174.600 0.019 0.000 1.026 775 S CA 0.760 58.974 58.200 0.024 0.000 0.981 775 S CB -0.188 63.002 63.200 -0.018 0.000 0.818 775 S HN 0.197 nan 8.310 nan 0.000 0.472 776 I N 1.527 122.037 120.570 -0.101 0.000 2.233 776 I HA -0.083 4.087 4.170 -0.000 0.000 0.243 776 I C 2.891 178.899 176.117 -0.182 0.000 1.093 776 I CA 1.021 62.195 61.300 -0.210 0.000 1.380 776 I CB -0.588 37.168 38.000 -0.406 0.000 1.067 776 I HN 0.384 nan 8.210 nan 0.000 0.413 777 A N 0.351 123.054 122.820 -0.195 0.000 1.908 777 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 777 A C 2.320 179.887 177.584 -0.027 0.000 1.181 777 A CA 1.852 53.764 52.037 -0.207 0.000 0.627 777 A CB -1.170 17.596 19.000 -0.389 0.000 0.818 777 A HN 0.561 nan 8.150 nan 0.000 0.445 778 Y N 1.165 121.442 120.300 -0.039 0.000 2.181 778 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 778 Y C 2.594 178.483 175.900 -0.018 0.000 1.146 778 Y CA 2.412 60.514 58.100 0.004 0.000 1.164 778 Y CB -0.600 37.873 38.460 0.022 0.000 0.982 778 Y HN 0.302 nan 8.280 nan 0.000 0.515 779 T N 1.173 115.722 114.554 -0.009 0.000 2.812 779 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 779 T C 2.004 176.620 174.700 -0.139 0.000 1.042 779 T CA 1.586 63.632 62.100 -0.091 0.000 1.140 779 T CB -0.444 68.420 68.868 -0.008 0.000 0.870 779 T HN 0.301 nan 8.240 nan 0.000 0.445 780 L N 0.841 122.007 121.223 -0.095 0.000 2.093 780 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 780 L C 2.900 179.805 176.870 0.057 0.000 1.085 780 L CA 1.093 55.937 54.840 0.006 0.000 0.755 780 L CB -1.138 40.905 42.059 -0.025 0.000 0.904 780 L HN 0.288 nan 8.230 nan 0.000 0.435 781 T N -0.357 114.175 114.554 -0.036 0.000 2.699 781 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 781 T C 1.920 176.549 174.700 -0.118 0.000 1.036 781 T CA 1.850 63.925 62.100 -0.042 0.000 1.147 781 T CB -0.290 68.536 68.868 -0.071 0.000 0.862 781 T HN 0.539 nan 8.240 nan 0.000 0.446 782 S N 1.287 116.871 115.700 -0.194 0.000 2.603 782 S HA 0.015 4.485 4.470 -0.000 0.000 0.229 782 S C 1.693 176.193 174.600 -0.167 0.000 0.972 782 S CA 0.248 58.331 58.200 -0.194 0.000 0.935 782 S CB -0.336 62.718 63.200 -0.244 0.000 0.769 782 S HN 0.299 nan 8.310 nan 0.000 0.536 783 N N 2.134 120.733 118.700 -0.167 0.000 2.188 783 N HA 0.072 4.812 4.740 -0.000 0.000 0.184 783 N C 1.478 176.813 175.510 -0.291 0.000 1.018 783 N CA 0.933 53.855 53.050 -0.213 0.000 0.858 783 N CB -0.365 38.016 38.487 -0.177 0.000 0.989 783 N HN 0.339 nan 8.380 nan 0.000 0.426 784 I N 1.788 122.155 120.570 -0.338 0.000 2.142 784 I HA -0.153 4.017 4.170 -0.000 0.000 0.240 784 I C -0.837 175.191 176.117 -0.150 0.000 1.078 784 I CA 1.290 62.409 61.300 -0.302 0.000 1.343 784 I CB -2.461 35.378 38.000 -0.269 0.000 1.046 784 I HN 0.089 nan 8.210 nan 0.000 0.405 785 P HA -0.127 nan 4.420 nan 0.000 0.231 785 P C 1.037 178.321 177.300 -0.026 0.000 1.158 785 P CA 1.332 64.439 63.100 0.012 0.000 0.763 785 P CB -0.037 31.669 31.700 0.011 0.000 0.805 786 E N -0.933 119.194 120.200 -0.122 0.000 2.307 786 E HA 0.096 4.446 4.350 -0.000 0.000 0.195 786 E C 2.013 178.521 176.600 -0.154 0.000 0.975 786 E CA 0.143 56.442 56.400 -0.168 0.000 0.878 786 E CB -0.111 29.488 29.700 -0.169 0.000 0.845 786 E HN 0.244 nan 8.360 nan 0.000 0.488 787 I N 1.210 121.675 120.570 -0.175 0.000 2.296 787 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 787 I C 2.639 178.683 176.117 -0.122 0.000 1.087 787 I CA 1.409 62.594 61.300 -0.191 0.000 1.393 787 I CB -0.414 37.437 38.000 -0.249 0.000 1.093 787 I HN 0.147 nan 8.210 nan 0.000 0.421 788 T N -0.541 113.972 114.554 -0.069 0.000 2.737 788 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 788 T C -0.499 174.287 174.700 0.142 0.000 1.040 788 T CA 0.970 63.099 62.100 0.050 0.000 1.142 788 T CB -2.102 66.890 68.868 0.207 0.000 0.861 788 T HN 0.215 nan 8.240 nan 0.000 0.456 789 P HA -0.045 nan 4.420 nan 0.000 0.216 789 P C 1.215 178.343 177.300 -0.286 0.000 1.150 789 P CA 0.981 63.890 63.100 -0.318 0.000 0.837 789 P CB -0.375 30.772 31.700 -0.922 0.000 0.786 790 F N -0.314 119.444 119.950 -0.319 0.000 2.186 790 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 790 F C 2.541 178.196 175.800 -0.242 0.000 1.090 790 F CA 1.026 58.856 58.000 -0.283 0.000 1.307 790 F CB -0.927 37.892 39.000 -0.301 0.000 1.019 790 F HN -0.247 nan 8.300 nan 0.000 0.489 791 L N -1.020 120.130 121.223 -0.123 0.000 2.027 791 L HA -0.169 4.170 4.340 -0.000 0.000 0.206 791 L C 2.272 179.092 176.870 -0.084 0.000 1.074 791 L CA 0.762 55.462 54.840 -0.232 0.000 0.745 791 L CB -1.041 40.808 42.059 -0.349 0.000 0.898 791 L HN -0.072 nan 8.230 nan 0.000 0.433 792 V N -0.399 119.496 119.914 -0.031 0.000 2.626 792 V HA -0.271 3.849 4.120 -0.000 0.000 0.252 792 V C 2.290 178.363 176.094 -0.035 0.000 1.067 792 V CA 1.447 63.735 62.300 -0.021 0.000 1.081 792 V CB -0.732 31.093 31.823 0.004 0.000 0.686 792 V HN 0.309 nan 8.190 nan 0.000 0.468 793 F N 0.900 120.703 119.950 -0.245 0.000 2.161 793 F HA -0.198 4.329 4.527 -0.000 0.000 0.300 793 F C 2.044 177.658 175.800 -0.310 0.000 1.089 793 F CA 1.559 59.363 58.000 -0.326 0.000 1.282 793 F CB -0.055 38.654 39.000 -0.486 0.000 1.010 793 F HN 0.061 nan 8.300 nan 0.000 0.485 794 I N 0.028 120.360 120.570 -0.397 0.000 2.296 794 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 794 I C 2.431 178.445 176.117 -0.171 0.000 1.087 794 I CA 0.856 61.886 61.300 -0.450 0.000 1.393 794 I CB -1.453 36.315 38.000 -0.386 0.000 1.093 794 I HN 0.067 nan 8.210 nan 0.000 0.421 795 I N 1.302 121.822 120.570 -0.084 0.000 2.493 795 I HA -0.092 4.078 4.170 -0.000 0.000 0.254 795 I C 2.385 178.474 176.117 -0.047 0.000 1.160 795 I CA 1.455 62.737 61.300 -0.029 0.000 1.445 795 I CB -1.662 36.344 38.000 0.011 0.000 1.086 795 I HN 0.236 nan 8.210 nan 0.000 0.433 796 G N -0.245 108.512 108.800 -0.070 0.000 2.833 796 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.210 796 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.210 796 G C 0.660 175.515 174.900 -0.075 0.000 1.139 796 G CA 0.087 45.157 45.100 -0.051 0.000 0.771 796 G HN 0.431 nan 8.290 nan 0.000 0.535 797 N N -0.732 117.877 118.700 -0.153 0.000 2.735 797 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 797 N C 0.148 175.569 175.510 -0.149 0.000 1.083 797 N CA 0.364 53.298 53.050 -0.194 0.000 0.703 797 N CB -1.280 37.139 38.487 -0.112 0.000 1.005 797 N HN 0.494 nan 8.380 nan 0.000 0.550 798 V N -3.575 116.265 119.914 -0.123 0.000 3.109 798 V HA 0.786 4.906 4.120 -0.000 0.000 0.317 798 V C -2.134 173.912 176.094 -0.079 0.000 1.074 798 V CA -2.000 60.253 62.300 -0.078 0.000 1.033 798 V CB 1.301 33.140 31.823 0.026 0.000 1.111 798 V HN -0.189 nan 8.190 nan 0.000 0.458 799 P HA 0.207 nan 4.420 nan 0.000 0.268 799 P C -0.406 176.780 177.300 -0.191 0.000 1.205 799 P CA -0.264 62.550 63.100 -0.476 0.000 0.771 799 P CB 0.278 31.170 31.700 -1.346 0.000 0.858 800 L N 7.093 128.158 121.223 -0.263 0.000 2.660 800 L HA 0.005 4.345 4.340 -0.000 0.000 0.272 800 L C -1.645 174.941 176.870 -0.472 0.000 1.194 800 L CA -0.437 54.005 54.840 -0.664 0.000 0.945 800 L CB -0.139 41.354 42.059 -0.943 0.000 1.212 800 L HN 0.384 nan 8.230 nan 0.000 0.490 801 P HA 0.008 nan 4.420 nan 0.000 0.218 801 P C -0.723 176.034 177.300 -0.905 0.000 1.152 801 P CA 0.672 63.236 63.100 -0.893 0.000 0.826 801 P CB 0.256 31.085 31.700 -1.452 0.000 0.790 802 L N -1.708 118.754 121.223 -1.270 0.000 2.445 802 L HA 0.744 5.084 4.340 -0.000 0.000 0.262 802 L C -0.130 176.010 176.870 -1.218 0.000 0.974 802 L CA -0.896 53.174 54.840 -1.283 0.000 0.822 802 L CB 1.834 43.149 42.059 -1.241 0.000 1.339 802 L HN -0.121 nan 8.230 nan 0.000 0.409 803 G N 1.049 109.223 108.800 -1.042 0.000 2.522 803 G HA2 0.413 4.373 3.960 -0.000 0.000 0.304 803 G HA3 0.413 4.373 3.960 -0.000 0.000 0.304 803 G C 0.282 175.078 174.900 -0.173 0.000 1.210 803 G CA 0.237 45.029 45.100 -0.515 0.000 0.960 803 G HN 0.674 nan 8.290 nan 0.000 0.497 804 T N 0.179 114.717 114.554 -0.026 0.000 2.737 804 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 804 T C 2.661 177.302 174.700 -0.099 0.000 1.038 804 T CA 1.314 63.395 62.100 -0.032 0.000 1.144 804 T CB -0.219 68.635 68.868 -0.022 0.000 0.866 804 T HN 0.155 nan 8.240 nan 0.000 0.434 805 V N 2.297 122.148 119.914 -0.106 0.000 2.332 805 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 805 V C 2.803 178.803 176.094 -0.157 0.000 1.055 805 V CA 2.256 64.481 62.300 -0.126 0.000 1.038 805 V CB -1.467 30.275 31.823 -0.135 0.000 0.651 805 V HN 0.605 nan 8.190 nan 0.000 0.450 806 T N 0.297 114.743 114.554 -0.179 0.000 2.759 806 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 806 T C 1.808 176.434 174.700 -0.124 0.000 1.042 806 T CA 1.826 63.800 62.100 -0.210 0.000 1.140 806 T CB -0.383 68.362 68.868 -0.205 0.000 0.864 806 T HN 0.405 nan 8.240 nan 0.000 0.455 807 I N 1.027 121.527 120.570 -0.118 0.000 2.163 807 I HA -0.144 4.026 4.170 -0.000 0.000 0.243 807 I C 2.316 178.386 176.117 -0.078 0.000 1.085 807 I CA 1.345 62.588 61.300 -0.096 0.000 1.347 807 I CB -0.548 37.371 38.000 -0.135 0.000 1.044 807 I HN 0.182 nan 8.210 nan 0.000 0.408 808 L N -0.281 120.885 121.223 -0.096 0.000 2.191 808 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 808 L C 2.533 179.372 176.870 -0.052 0.000 1.103 808 L CA 0.757 55.548 54.840 -0.081 0.000 0.769 808 L CB -0.667 41.338 42.059 -0.091 0.000 0.908 808 L HN 0.408 nan 8.230 nan 0.000 0.438 809 C N -0.498 118.762 119.300 -0.067 0.000 2.448 809 C HA -0.063 4.397 4.460 -0.000 0.000 0.280 809 C C 2.643 177.719 174.990 0.143 0.000 1.398 809 C CA 0.127 59.120 59.018 -0.041 0.000 1.774 809 C CB -0.521 27.049 27.740 -0.284 0.000 1.888 809 C HN 0.403 nan 8.230 nan 0.000 0.519 810 I N 1.081 121.738 120.570 0.145 0.000 2.260 810 I HA -0.042 4.128 4.170 -0.000 0.000 0.237 810 I C 1.985 178.133 176.117 0.052 0.000 1.075 810 I CA 1.773 63.158 61.300 0.142 0.000 1.376 810 I CB -1.454 36.595 38.000 0.081 0.000 1.107 810 I HN 0.206 nan 8.210 nan 0.000 0.420 811 D N 0.619 121.017 120.400 -0.004 0.000 2.219 811 D HA -0.118 4.521 4.640 -0.000 0.000 0.205 811 D C 1.851 178.139 176.300 -0.021 0.000 0.970 811 D CA 0.866 54.846 54.000 -0.034 0.000 0.851 811 D CB 0.102 40.853 40.800 -0.082 0.000 0.943 811 D HN 0.097 nan 8.370 nan 0.000 0.488 812 L N -1.034 120.182 121.223 -0.012 0.000 2.590 812 L HA 0.349 4.689 4.340 -0.000 0.000 0.227 812 L C 1.768 178.656 176.870 0.030 0.000 1.099 812 L CA 0.476 55.312 54.840 -0.006 0.000 0.872 812 L CB 0.116 42.163 42.059 -0.020 0.000 1.088 812 L HN 0.053 nan 8.230 nan 0.000 0.479 813 G N -1.392 107.443 108.800 0.058 0.000 2.495 813 G HA2 0.029 3.989 3.960 -0.000 0.000 0.219 813 G HA3 0.029 3.989 3.960 -0.000 0.000 0.219 813 G C 1.381 176.349 174.900 0.113 0.000 1.875 813 G CA 0.811 45.967 45.100 0.093 0.000 0.757 813 G HN 0.242 nan 8.290 nan 0.000 0.682 814 T N -0.632 114.011 114.554 0.149 0.000 2.777 814 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 814 T C 1.645 176.423 174.700 0.129 0.000 1.040 814 T CA 1.834 64.016 62.100 0.136 0.000 1.141 814 T CB -0.318 68.617 68.868 0.112 0.000 0.868 814 T HN 0.062 nan 8.240 nan 0.000 0.444 815 D N 0.472 120.952 120.400 0.132 0.000 2.312 815 D HA 0.071 4.711 4.640 -0.000 0.000 0.211 815 D C 1.978 178.400 176.300 0.203 0.000 0.964 815 D CA 0.381 54.513 54.000 0.220 0.000 0.877 815 D CB -0.148 40.743 40.800 0.152 0.000 0.924 815 D HN 0.279 nan 8.370 nan 0.000 0.515 816 M N 0.077 119.746 119.600 0.115 0.000 2.066 816 M HA -0.128 4.352 4.480 -0.000 0.000 0.259 816 M C 2.343 178.688 176.300 0.077 0.000 1.074 816 M CA 0.962 56.309 55.300 0.078 0.000 1.114 816 M CB -1.024 31.610 32.600 0.057 0.000 1.306 816 M HN -0.084 nan 8.290 nan 0.000 0.411 817 V N 0.350 120.311 119.914 0.079 0.000 2.343 817 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 817 V C -0.561 175.565 176.094 0.054 0.000 1.051 817 V CA 1.791 64.144 62.300 0.089 0.000 1.036 817 V CB -2.139 29.734 31.823 0.083 0.000 0.654 817 V HN 0.242 nan 8.190 nan 0.000 0.451 818 P HA -0.170 nan 4.420 nan 0.000 0.215 818 P C 1.763 178.899 177.300 -0.273 0.000 1.157 818 P CA 2.148 65.166 63.100 -0.137 0.000 0.868 818 P CB -0.178 31.436 31.700 -0.144 0.000 0.788 819 A N -0.359 122.351 122.820 -0.184 0.000 1.908 819 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 819 A C 2.129 179.688 177.584 -0.041 0.000 1.181 819 A CA 1.595 53.566 52.037 -0.110 0.000 0.627 819 A CB -1.565 17.507 19.000 0.120 0.000 0.818 819 A HN 0.044 nan 8.150 nan 0.000 0.445 820 I N 1.055 121.635 120.570 0.016 0.000 2.226 820 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 820 I C 2.844 179.026 176.117 0.109 0.000 1.100 820 I CA 2.023 63.362 61.300 0.064 0.000 1.374 820 I CB -1.662 36.404 38.000 0.110 0.000 1.057 820 I HN 0.547 nan 8.210 nan 0.000 0.413 821 S N 1.327 117.095 115.700 0.113 0.000 2.419 821 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 821 S C 1.946 176.641 174.600 0.158 0.000 1.019 821 S CA 0.771 59.081 58.200 0.183 0.000 0.982 821 S CB -0.590 62.664 63.200 0.091 0.000 0.789 821 S HN 0.280 nan 8.310 nan 0.000 0.490 822 L N 1.623 122.869 121.223 0.037 0.000 2.265 822 L HA 0.122 4.462 4.340 -0.000 0.000 0.215 822 L C 2.903 179.788 176.870 0.024 0.000 1.117 822 L CA 1.348 56.197 54.840 0.016 0.000 0.782 822 L CB -2.083 39.957 42.059 -0.032 0.000 0.914 822 L HN 0.539 nan 8.230 nan 0.000 0.441 823 A N -1.706 121.115 122.820 0.000 0.000 2.125 823 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 823 A C 1.640 179.096 177.584 -0.212 0.000 1.156 823 A CA 0.932 52.896 52.037 -0.122 0.000 0.671 823 A CB -0.652 18.224 19.000 -0.207 0.000 0.794 823 A HN 0.453 nan 8.150 nan 0.000 0.459 824 Y N 0.392 120.696 120.300 0.006 0.000 2.468 824 Y HA 0.163 4.713 4.550 -0.000 0.000 0.268 824 Y C 0.408 176.313 175.900 0.008 0.000 1.177 824 Y CA -0.419 57.686 58.100 0.008 0.000 1.265 824 Y CB 0.292 38.755 38.460 0.006 0.000 1.103 824 Y HN 0.140 nan 8.280 nan 0.000 0.522 825 E N 1.699 121.961 120.200 0.103 0.000 2.376 825 E HA 0.030 4.379 4.350 -0.000 0.000 0.266 825 E C -0.226 176.408 176.600 0.056 0.000 1.009 825 E CA -0.005 56.437 56.400 0.071 0.000 0.902 825 E CB 0.589 30.316 29.700 0.045 0.000 0.972 825 E HN 0.462 nan 8.360 nan 0.000 0.439 826 Q N 0.496 120.330 119.800 0.056 0.000 2.492 826 Q HA 0.333 4.673 4.340 -0.000 0.000 0.238 826 Q C -0.044 175.982 176.000 0.042 0.000 1.045 826 Q CA -0.297 55.535 55.803 0.048 0.000 0.934 826 Q CB 0.554 29.320 28.738 0.046 0.000 1.276 826 Q HN 0.593 nan 8.270 nan 0.000 0.521 827 A N 1.182 124.027 122.820 0.041 0.000 2.445 827 A HA -0.010 4.310 4.320 -0.000 0.000 0.242 827 A C 0.344 177.955 177.584 0.045 0.000 1.075 827 A CA -0.100 51.963 52.037 0.043 0.000 0.777 827 A CB 0.213 19.238 19.000 0.042 0.000 1.013 827 A HN 0.873 nan 8.150 nan 0.000 0.493 828 E N 0.296 120.527 120.200 0.050 0.000 2.299 828 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 828 E C 0.614 177.245 176.600 0.052 0.000 0.998 828 E CA 0.977 57.409 56.400 0.052 0.000 0.851 828 E CB 0.086 29.823 29.700 0.061 0.000 0.795 828 E HN 0.787 nan 8.360 nan 0.000 0.492 829 S N -0.445 115.286 115.700 0.052 0.000 2.752 829 S HA 0.167 4.637 4.470 -0.000 0.000 0.284 829 S C -1.070 173.554 174.600 0.040 0.000 1.189 829 S CA -1.021 57.205 58.200 0.044 0.000 0.835 829 S CB 1.452 64.679 63.200 0.046 0.000 1.192 829 S HN -0.131 nan 8.310 nan 0.000 0.506 830 D N 1.364 121.784 120.400 0.034 0.000 2.455 830 D HA 0.181 4.820 4.640 -0.000 0.000 0.234 830 D C 1.553 177.872 176.300 0.031 0.000 1.224 830 D CA -0.453 53.565 54.000 0.030 0.000 0.999 830 D CB -0.414 40.400 40.800 0.024 0.000 1.072 830 D HN 0.583 nan 8.370 nan 0.000 0.514 831 I N -0.378 120.213 120.570 0.034 0.000 2.423 831 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 831 I C 1.586 177.717 176.117 0.024 0.000 1.151 831 I CA 0.657 61.978 61.300 0.035 0.000 1.421 831 I CB -0.301 37.722 38.000 0.039 0.000 1.079 831 I HN 0.167 nan 8.210 nan 0.000 0.431 832 M N 1.002 120.614 119.600 0.021 0.000 2.619 832 M HA -0.031 4.449 4.480 -0.000 0.000 0.251 832 M C 1.826 178.136 176.300 0.016 0.000 1.106 832 M CA 1.193 56.503 55.300 0.016 0.000 1.086 832 M CB -0.860 31.750 32.600 0.016 0.000 1.465 832 M HN 0.259 nan 8.290 nan 0.000 0.506 833 K N 0.922 121.332 120.400 0.018 0.000 2.361 833 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 833 K C 0.807 177.416 176.600 0.015 0.000 1.039 833 K CA 0.123 56.420 56.287 0.016 0.000 1.001 833 K CB 0.401 32.911 32.500 0.017 0.000 0.795 833 K HN 0.361 nan 8.250 nan 0.000 0.495 834 R N 0.222 120.732 120.500 0.016 0.000 2.532 834 R HA 0.225 4.565 4.340 -0.000 0.000 0.272 834 R C -0.375 175.929 176.300 0.006 0.000 1.032 834 R CA -0.819 55.290 56.100 0.015 0.000 1.089 834 R CB 0.486 30.800 30.300 0.024 0.000 1.098 834 R HN -0.135 nan 8.270 nan 0.000 0.526 835 Q N 0.777 120.579 119.800 0.003 0.000 2.443 835 Q HA 0.227 4.567 4.340 -0.000 0.000 0.232 835 Q C -2.028 173.961 176.000 -0.019 0.000 1.026 835 Q CA -1.679 54.121 55.803 -0.005 0.000 0.924 835 Q CB 0.167 28.903 28.738 -0.003 0.000 1.256 835 Q HN 0.520 nan 8.270 nan 0.000 0.519 836 P HA 0.012 nan 4.420 nan 0.000 0.268 836 P C -0.499 176.758 177.300 -0.070 0.000 1.205 836 P CA -0.029 63.039 63.100 -0.055 0.000 0.771 836 P CB 0.375 32.046 31.700 -0.048 0.000 0.858 837 R N 1.658 122.085 120.500 -0.122 0.000 2.698 837 R HA 0.110 4.450 4.340 -0.000 0.000 0.266 837 R C 0.196 176.434 176.300 -0.104 0.000 1.026 837 R CA -0.286 55.733 56.100 -0.135 0.000 1.102 837 R CB -0.049 30.087 30.300 -0.273 0.000 0.978 837 R HN 0.326 nan 8.270 nan 0.000 0.436 838 N N 3.529 122.188 118.700 -0.068 0.000 2.415 838 N HA 0.078 4.817 4.740 -0.000 0.000 0.246 838 N C -1.729 173.745 175.510 -0.060 0.000 1.078 838 N CA -2.255 50.764 53.050 -0.051 0.000 0.942 838 N CB 1.136 39.607 38.487 -0.027 0.000 1.140 838 N HN 0.493 nan 8.380 nan 0.000 0.501 839 P HA -0.112 nan 4.420 nan 0.000 0.225 839 P C 0.504 177.774 177.300 -0.050 0.000 1.148 839 P CA 1.032 64.093 63.100 -0.065 0.000 0.779 839 P CB 0.471 32.135 31.700 -0.060 0.000 0.780 840 K N -0.918 119.459 120.400 -0.039 0.000 2.211 840 K HA 0.095 4.415 4.320 -0.000 0.000 0.201 840 K C 1.781 178.361 176.600 -0.033 0.000 1.052 840 K CA 1.119 57.386 56.287 -0.034 0.000 0.973 840 K CB -0.969 31.519 32.500 -0.020 0.000 0.766 840 K HN 0.133 nan 8.250 nan 0.000 0.466 841 T N 1.209 115.749 114.554 -0.022 0.000 3.045 841 T HA 0.032 4.382 4.350 -0.000 0.000 0.239 841 T C 0.122 174.825 174.700 0.006 0.000 1.008 841 T CA 0.239 62.334 62.100 -0.007 0.000 1.143 841 T CB 0.137 69.006 68.868 0.002 0.000 0.894 841 T HN 0.095 nan 8.240 nan 0.000 0.451 842 D N 3.255 123.661 120.400 0.010 0.000 2.402 842 D HA 0.184 4.824 4.640 -0.000 0.000 0.235 842 D C -0.017 176.347 176.300 0.106 0.000 1.226 842 D CA 0.181 54.213 54.000 0.054 0.000 0.918 842 D CB 0.668 41.486 40.800 0.030 0.000 1.043 842 D HN 0.104 nan 8.370 nan 0.000 0.506 843 K N 1.327 121.793 120.400 0.110 0.000 2.087 843 K HA 0.181 4.501 4.320 -0.000 0.000 0.255 843 K C 1.054 177.776 176.600 0.203 0.000 0.988 843 K CA -0.873 55.483 56.287 0.115 0.000 0.915 843 K CB 1.858 34.341 32.500 -0.029 0.000 1.043 843 K HN 0.140 nan 8.250 nan 0.000 0.457 844 L N 1.237 122.561 121.223 0.167 0.000 2.109 844 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 844 L C 0.160 176.972 176.870 -0.098 0.000 1.086 844 L CA 1.461 56.232 54.840 -0.115 0.000 0.760 844 L CB 0.458 42.442 42.059 -0.124 0.000 0.910 844 L HN 0.274 nan 8.230 nan 0.000 0.437 845 V N 2.555 122.501 119.914 0.052 0.000 2.482 845 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 845 V C -0.516 175.632 176.094 0.089 0.000 1.026 845 V CA -0.869 61.431 62.300 0.000 0.000 0.856 845 V CB 1.321 33.139 31.823 -0.009 0.000 1.001 845 V HN 0.441 nan 8.190 nan 0.000 0.424 846 N N 4.065 122.771 118.700 0.011 0.000 3.002 846 N HA 0.340 5.080 4.740 -0.000 0.000 0.331 846 N C 0.788 176.288 175.510 -0.015 0.000 1.384 846 N CA -0.648 52.426 53.050 0.041 0.000 0.780 846 N CB 1.239 39.752 38.487 0.043 0.000 1.492 846 N HN 0.490 nan 8.380 nan 0.000 0.608 847 E N 1.059 121.258 120.200 -0.002 0.000 2.153 847 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 847 E C 1.333 177.911 176.600 -0.036 0.000 0.988 847 E CA 1.097 57.482 56.400 -0.025 0.000 0.811 847 E CB -0.427 29.266 29.700 -0.011 0.000 0.746 847 E HN 0.546 nan 8.360 nan 0.000 0.466 848 R N 0.409 120.897 120.500 -0.020 0.000 2.120 848 R HA 0.049 4.389 4.340 -0.000 0.000 0.234 848 R C 2.682 178.969 176.300 -0.022 0.000 1.123 848 R CA 1.145 57.247 56.100 0.003 0.000 0.975 848 R CB -0.437 29.891 30.300 0.048 0.000 0.866 848 R HN 0.182 nan 8.270 nan 0.000 0.446 849 L N 0.638 121.785 121.223 -0.126 0.000 2.027 849 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 849 L C 1.967 178.691 176.870 -0.244 0.000 1.074 849 L CA 1.157 55.806 54.840 -0.318 0.000 0.745 849 L CB -0.076 41.738 42.059 -0.409 0.000 0.898 849 L HN 0.101 nan 8.230 nan 0.000 0.433 850 I N -0.710 119.738 120.570 -0.204 0.000 2.226 850 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 850 I C 2.786 178.863 176.117 -0.067 0.000 1.100 850 I CA 1.596 62.757 61.300 -0.231 0.000 1.374 850 I CB -1.606 36.244 38.000 -0.251 0.000 1.057 850 I HN 0.325 nan 8.210 nan 0.000 0.413 851 S N 0.221 115.909 115.700 -0.021 0.000 2.370 851 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 851 S C 2.052 176.705 174.600 0.090 0.000 1.033 851 S CA 1.329 59.556 58.200 0.044 0.000 1.011 851 S CB -0.014 63.204 63.200 0.030 0.000 0.852 851 S HN 0.228 nan 8.310 nan 0.000 0.457 852 M N 0.700 120.353 119.600 0.089 0.000 2.160 852 M HA 0.110 4.590 4.480 -0.000 0.000 0.264 852 M C 2.488 178.871 176.300 0.138 0.000 1.073 852 M CA 1.514 56.911 55.300 0.160 0.000 1.142 852 M CB -1.505 31.249 32.600 0.257 0.000 1.358 852 M HN 0.489 nan 8.290 nan 0.000 0.422 853 A N -1.140 121.722 122.820 0.070 0.000 1.897 853 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 853 A C 1.821 179.547 177.584 0.236 0.000 1.181 853 A CA 1.301 53.397 52.037 0.099 0.000 0.620 853 A CB -0.661 18.339 19.000 -0.000 0.000 0.821 853 A HN 0.423 nan 8.150 nan 0.000 0.443 854 Y N -0.559 119.725 120.300 -0.026 0.000 2.343 854 Y HA 0.174 4.724 4.550 -0.000 0.000 0.294 854 Y C 2.695 178.598 175.900 0.005 0.000 1.122 854 Y CA 0.363 58.454 58.100 -0.015 0.000 1.173 854 Y CB -0.885 37.569 38.460 -0.009 0.000 1.077 854 Y HN 0.294 nan 8.280 nan 0.000 0.542 855 G N -1.461 107.449 108.800 0.183 0.000 2.539 855 G HA2 -0.023 3.936 3.960 -0.000 0.000 0.215 855 G HA3 -0.023 3.936 3.960 -0.000 0.000 0.215 855 G C 1.317 176.263 174.900 0.078 0.000 1.141 855 G CA 0.397 45.567 45.100 0.117 0.000 0.806 855 G HN 0.343 nan 8.290 nan 0.000 0.533 856 Q N -0.828 119.023 119.800 0.084 0.000 2.642 856 Q HA 0.262 4.602 4.340 -0.000 0.000 0.202 856 Q C 2.397 178.388 176.000 -0.016 0.000 0.845 856 Q CA -0.317 55.508 55.803 0.036 0.000 0.873 856 Q CB 0.139 28.963 28.738 0.143 0.000 1.190 856 Q HN 0.180 nan 8.270 nan 0.000 0.642 857 I N 1.008 121.612 120.570 0.057 0.000 2.233 857 I HA -0.084 4.086 4.170 -0.000 0.000 0.243 857 I C 2.289 178.412 176.117 0.010 0.000 1.093 857 I CA 1.764 63.093 61.300 0.048 0.000 1.380 857 I CB -1.613 36.459 38.000 0.119 0.000 1.067 857 I HN 0.349 nan 8.210 nan 0.000 0.413 858 G N 0.378 109.184 108.800 0.010 0.000 2.432 858 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 858 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 858 G C 1.668 176.538 174.900 -0.049 0.000 1.135 858 G CA 0.645 45.722 45.100 -0.038 0.000 0.767 858 G HN 0.184 nan 8.290 nan 0.000 0.550 859 M N 0.473 120.054 119.600 -0.031 0.000 2.132 859 M HA 0.195 4.675 4.480 -0.000 0.000 0.263 859 M C 2.397 178.677 176.300 -0.033 0.000 1.065 859 M CA 0.914 56.196 55.300 -0.029 0.000 1.122 859 M CB -0.430 32.159 32.600 -0.019 0.000 1.365 859 M HN 0.244 nan 8.290 nan 0.000 0.411 860 I N -0.729 119.819 120.570 -0.036 0.000 2.286 860 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 860 I C 2.192 178.279 176.117 -0.049 0.000 1.115 860 I CA 1.190 62.484 61.300 -0.010 0.000 1.392 860 I CB -0.595 37.411 38.000 0.009 0.000 1.065 860 I HN 0.391 nan 8.210 nan 0.000 0.418 861 Q N 0.774 120.535 119.800 -0.064 0.000 2.079 861 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 861 Q C 2.563 178.462 176.000 -0.167 0.000 0.974 861 Q CA 1.595 57.327 55.803 -0.118 0.000 0.840 861 Q CB -0.292 28.383 28.738 -0.106 0.000 0.898 861 Q HN 0.583 nan 8.270 nan 0.000 0.430 862 A N 1.323 124.097 122.820 -0.077 0.000 1.892 862 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 862 A C 2.126 179.761 177.584 0.085 0.000 1.188 862 A CA 1.308 53.370 52.037 0.042 0.000 0.631 862 A CB -0.797 18.283 19.000 0.133 0.000 0.822 862 A HN 0.279 nan 8.150 nan 0.000 0.447 863 L N -0.841 120.350 121.223 -0.054 0.000 2.017 863 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 863 L C 2.879 179.459 176.870 -0.483 0.000 1.073 863 L CA 1.166 55.912 54.840 -0.157 0.000 0.745 863 L CB -0.962 40.961 42.059 -0.226 0.000 0.894 863 L HN 0.492 nan 8.230 nan 0.000 0.432 864 G N -0.337 107.946 108.800 -0.861 0.000 2.450 864 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.220 864 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.220 864 G C 1.554 176.150 174.900 -0.507 0.000 1.130 864 G CA 0.825 45.423 45.100 -0.836 0.000 0.760 864 G HN 0.503 nan 8.290 nan 0.000 0.557 865 G N 0.388 108.746 108.800 -0.736 0.000 2.414 865 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.215 865 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.215 865 G C 1.598 175.702 174.900 -1.326 0.000 1.188 865 G CA 0.666 44.796 45.100 -1.617 0.000 0.783 865 G HN 0.358 nan 8.290 nan 0.000 0.537 866 F N -0.103 119.491 119.950 -0.593 0.000 2.126 866 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 866 F C 2.273 178.162 175.800 0.148 0.000 1.096 866 F CA 1.159 59.101 58.000 -0.096 0.000 1.255 866 F CB -0.429 38.629 39.000 0.096 0.000 0.997 866 F HN 0.138 nan 8.300 nan 0.000 0.479 867 F N 1.410 121.444 119.950 0.138 0.000 2.065 867 F HA -0.313 4.214 4.527 -0.000 0.000 0.298 867 F C 2.804 178.675 175.800 0.119 0.000 1.112 867 F CA 1.683 59.801 58.000 0.196 0.000 1.212 867 F CB -1.141 37.926 39.000 0.113 0.000 0.975 867 F HN 0.018 nan 8.300 nan 0.000 0.476 868 S N -0.500 115.062 115.700 -0.230 0.000 2.383 868 S HA -0.325 4.145 4.470 -0.000 0.000 0.229 868 S C 2.124 176.511 174.600 -0.354 0.000 1.030 868 S CA 1.253 59.224 58.200 -0.383 0.000 1.002 868 S CB -1.777 61.238 63.200 -0.308 0.000 0.829 868 S HN 0.655 nan 8.310 nan 0.000 0.467 869 Y N 1.756 121.834 120.300 -0.371 0.000 2.097 869 Y HA -0.121 4.428 4.550 -0.000 0.000 0.282 869 Y C 1.804 177.464 175.900 -0.401 0.000 1.152 869 Y CA 1.737 59.609 58.100 -0.380 0.000 1.136 869 Y CB -0.707 37.542 38.460 -0.352 0.000 0.975 869 Y HN 0.232 nan 8.280 nan 0.000 0.498 870 F N -0.598 119.249 119.950 -0.171 0.000 2.234 870 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 870 F C 2.383 178.006 175.800 -0.294 0.000 1.087 870 F CA 1.303 59.160 58.000 -0.238 0.000 1.340 870 F CB -0.973 38.039 39.000 0.021 0.000 1.031 870 F HN -0.049 nan 8.300 nan 0.000 0.500 871 V N 0.191 119.957 119.914 -0.246 0.000 2.295 871 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 871 V C 2.398 178.275 176.094 -0.363 0.000 1.049 871 V CA 1.317 63.428 62.300 -0.315 0.000 1.024 871 V CB -0.499 31.024 31.823 -0.499 0.000 0.648 871 V HN 0.177 nan 8.190 nan 0.000 0.447 872 I N -0.379 119.820 120.570 -0.619 0.000 2.179 872 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 872 I C 2.384 178.295 176.117 -0.343 0.000 1.088 872 I CA 1.736 62.584 61.300 -0.753 0.000 1.357 872 I CB -1.299 36.214 38.000 -0.811 0.000 1.051 872 I HN 0.260 nan 8.210 nan 0.000 0.409 873 L N 0.739 121.749 121.223 -0.354 0.000 2.056 873 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 873 L C 2.751 179.639 176.870 0.029 0.000 1.078 873 L CA 1.402 56.118 54.840 -0.208 0.000 0.749 873 L CB -0.624 41.179 42.059 -0.426 0.000 0.901 873 L HN 0.193 nan 8.230 nan 0.000 0.433 874 A N -0.505 122.330 122.820 0.026 0.000 2.015 874 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 874 A C 2.078 179.766 177.584 0.172 0.000 1.163 874 A CA 1.333 53.451 52.037 0.134 0.000 0.646 874 A CB -0.319 18.754 19.000 0.122 0.000 0.806 874 A HN 0.460 nan 8.150 nan 0.000 0.448 875 E N -0.335 119.950 120.200 0.142 0.000 2.435 875 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 875 E C 0.738 177.450 176.600 0.187 0.000 1.029 875 E CA 0.147 56.666 56.400 0.197 0.000 0.865 875 E CB 0.000 29.906 29.700 0.342 0.000 0.833 875 E HN 0.533 nan 8.360 nan 0.000 0.510 876 N N -0.392 118.426 118.700 0.197 0.000 2.280 876 N HA 0.019 4.759 4.740 -0.000 0.000 0.192 876 N C 0.938 176.604 175.510 0.261 0.000 1.109 876 N CA 0.774 53.984 53.050 0.266 0.000 0.855 876 N CB 1.623 40.289 38.487 0.299 0.000 0.974 876 N HN 0.263 nan 8.380 nan 0.000 0.482 877 G N 0.521 109.428 108.800 0.178 0.000 2.229 877 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.189 877 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.189 877 G C -0.264 174.668 174.900 0.052 0.000 1.000 877 G CA -0.604 44.607 45.100 0.185 0.000 0.663 877 G HN 0.198 nan 8.290 nan 0.000 0.493 878 F N 2.588 122.610 119.950 0.121 0.000 2.309 878 F HA 0.603 5.130 4.527 -0.000 0.000 0.366 878 F C 1.084 176.906 175.800 0.036 0.000 1.104 878 F CA -0.776 57.245 58.000 0.036 0.000 1.179 878 F CB 0.662 39.615 39.000 -0.078 0.000 1.437 878 F HN -0.039 nan 8.300 nan 0.000 0.528 879 L N 5.140 126.460 121.223 0.161 0.000 2.461 879 L HA 0.097 4.437 4.340 -0.000 0.000 0.272 879 L C -0.934 176.003 176.870 0.112 0.000 1.197 879 L CA -1.521 53.384 54.840 0.109 0.000 0.836 879 L CB 0.431 42.499 42.059 0.015 0.000 1.105 879 L HN 0.278 nan 8.230 nan 0.000 0.477 880 P HA -0.224 nan 4.420 nan 0.000 0.217 880 P C 1.608 178.943 177.300 0.058 0.000 1.151 880 P CA 1.717 64.876 63.100 0.099 0.000 0.849 880 P CB 0.102 31.709 31.700 -0.155 0.000 0.787 881 M N -0.465 119.141 119.600 0.010 0.000 2.108 881 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 881 M C 1.357 177.675 176.300 0.029 0.000 1.066 881 M CA 1.752 57.054 55.300 0.002 0.000 1.107 881 M CB -0.751 31.837 32.600 -0.019 0.000 1.356 881 M HN -0.051 nan 8.290 nan 0.000 0.406 882 D N 0.116 120.546 120.400 0.049 0.000 2.349 882 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 882 D C 1.878 178.237 176.300 0.098 0.000 1.029 882 D CA 0.663 54.706 54.000 0.070 0.000 0.879 882 D CB 0.139 40.987 40.800 0.080 0.000 0.906 882 D HN 0.399 nan 8.370 nan 0.000 0.528 883 L N 0.660 121.940 121.223 0.095 0.000 2.240 883 L HA -0.004 4.336 4.340 -0.000 0.000 0.211 883 L C 0.861 177.754 176.870 0.039 0.000 1.106 883 L CA 0.301 55.175 54.840 0.058 0.000 0.793 883 L CB 0.077 42.184 42.059 0.081 0.000 0.927 883 L HN -0.057 nan 8.230 nan 0.000 0.446 884 I N 1.570 122.172 120.570 0.054 0.000 2.662 884 I HA 0.012 4.182 4.170 -0.000 0.000 0.285 884 I C 1.395 177.518 176.117 0.010 0.000 1.161 884 I CA 0.804 62.122 61.300 0.029 0.000 1.415 884 I CB -0.688 37.325 38.000 0.023 0.000 1.385 884 I HN 0.381 nan 8.210 nan 0.000 0.552 885 G N 5.600 114.392 108.800 -0.012 0.000 2.221 885 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.265 885 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.265 885 G C 0.944 175.847 174.900 0.005 0.000 1.041 885 G CA 0.472 45.562 45.100 -0.018 0.000 0.807 885 G HN 0.726 nan 8.290 nan 0.000 0.502 886 K N -0.156 120.250 120.400 0.010 0.000 2.360 886 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 886 K C 2.599 179.258 176.600 0.099 0.000 1.049 886 K CA 0.465 56.790 56.287 0.063 0.000 1.049 886 K CB 0.157 32.708 32.500 0.086 0.000 0.881 886 K HN 0.519 nan 8.250 nan 0.000 0.542 887 R N 0.127 120.647 120.500 0.032 0.000 2.117 887 R HA -0.106 4.234 4.340 -0.000 0.000 0.243 887 R C 1.684 178.079 176.300 0.157 0.000 1.143 887 R CA 1.657 57.810 56.100 0.088 0.000 0.968 887 R CB -1.126 29.158 30.300 -0.026 0.000 0.863 887 R HN -0.118 nan 8.270 nan 0.000 0.444 888 V N 1.213 121.181 119.914 0.089 0.000 2.252 888 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 888 V C 2.441 178.598 176.094 0.105 0.000 1.056 888 V CA 2.133 64.483 62.300 0.082 0.000 1.022 888 V CB -0.567 31.278 31.823 0.037 0.000 0.641 888 V HN 0.332 nan 8.190 nan 0.000 0.445 889 R N -1.265 119.305 120.500 0.117 0.000 2.153 889 R HA -0.066 4.274 4.340 -0.000 0.000 0.218 889 R C 1.953 178.330 176.300 0.130 0.000 1.072 889 R CA 0.884 57.050 56.100 0.110 0.000 0.990 889 R CB -0.893 29.473 30.300 0.109 0.000 0.889 889 R HN 0.728 nan 8.270 nan 0.000 0.452 890 W N 2.260 123.551 121.300 -0.015 0.000 2.381 890 W HA -0.148 4.512 4.660 -0.000 0.000 0.301 890 W C 0.158 176.684 176.519 0.011 0.000 1.205 890 W CA 1.321 58.632 57.345 -0.057 0.000 1.285 890 W CB 0.067 29.452 29.460 -0.125 0.000 1.133 890 W HN 0.048 nan 8.180 nan 0.000 0.521 891 D N 0.095 120.678 120.400 0.304 0.000 2.347 891 D HA -0.072 4.568 4.640 -0.000 0.000 0.213 891 D C 0.041 176.373 176.300 0.053 0.000 0.985 891 D CA 0.793 54.946 54.000 0.255 0.000 0.879 891 D CB -0.478 40.485 40.800 0.272 0.000 0.919 891 D HN -0.025 nan 8.370 nan 0.000 0.526 892 D N 1.216 121.601 120.400 -0.025 0.000 2.349 892 D HA -0.041 4.599 4.640 -0.000 0.000 0.266 892 D C 1.271 177.251 176.300 -0.532 0.000 1.293 892 D CA 0.043 53.917 54.000 -0.211 0.000 0.926 892 D CB 0.469 41.236 40.800 -0.055 0.000 1.090 892 D HN -0.027 nan 8.370 nan 0.000 0.502 893 R N 2.811 122.602 120.500 -1.181 0.000 2.293 893 R HA -0.110 4.230 4.340 -0.000 0.000 0.219 893 R C 0.994 176.517 176.300 -1.295 0.000 1.091 893 R CA 1.135 56.090 56.100 -1.909 0.000 1.004 893 R CB 0.102 29.003 30.300 -2.332 0.000 0.865 893 R HN 0.559 nan 8.270 nan 0.000 0.469 894 W N -0.579 120.594 121.300 -0.211 0.000 3.177 894 W HA 0.296 4.956 4.660 -0.000 0.000 0.309 894 W C -0.034 176.453 176.519 -0.053 0.000 1.224 894 W CA -0.830 56.449 57.345 -0.110 0.000 1.718 894 W CB 0.489 29.903 29.460 -0.076 0.000 1.078 894 W HN -0.160 nan 8.180 nan 0.000 0.618 895 I N 1.896 122.490 120.570 0.041 0.000 2.269 895 I HA 0.084 4.254 4.170 -0.000 0.000 0.293 895 I C 0.419 176.564 176.117 0.047 0.000 1.106 895 I CA 0.166 61.501 61.300 0.058 0.000 1.248 895 I CB 0.643 38.671 38.000 0.046 0.000 1.444 895 I HN -0.176 nan 8.210 nan 0.000 0.497 896 S N 4.099 119.843 115.700 0.073 0.000 2.519 896 S HA 0.148 4.618 4.470 -0.000 0.000 0.245 896 S C -0.089 174.558 174.600 0.078 0.000 1.152 896 S CA -0.473 57.774 58.200 0.078 0.000 1.175 896 S CB -0.540 62.709 63.200 0.082 0.000 0.829 896 S HN 0.819 nan 8.310 nan 0.000 0.472 897 D N -1.719 118.735 120.400 0.089 0.000 3.091 897 D HA 0.042 4.682 4.640 -0.000 0.000 0.306 897 D C -0.308 176.075 176.300 0.138 0.000 1.660 897 D CA -0.420 53.643 54.000 0.104 0.000 0.795 897 D CB -0.792 40.054 40.800 0.076 0.000 1.331 897 D HN 0.034 nan 8.370 nan 0.000 0.490 898 V N 1.005 121.013 119.914 0.156 0.000 2.617 898 V HA -0.005 4.115 4.120 -0.000 0.000 0.304 898 V C 0.867 177.122 176.094 0.267 0.000 1.040 898 V CA 0.412 62.822 62.300 0.183 0.000 1.149 898 V CB 0.975 32.875 31.823 0.128 0.000 0.914 898 V HN 0.312 nan 8.190 nan 0.000 0.487 899 E N 3.468 123.795 120.200 0.211 0.000 2.229 899 E HA 0.237 4.587 4.350 -0.000 0.000 0.283 899 E C -0.406 176.274 176.600 0.133 0.000 1.030 899 E CA -0.779 55.725 56.400 0.172 0.000 0.836 899 E CB 0.850 30.617 29.700 0.112 0.000 1.068 899 E HN 0.891 nan 8.360 nan 0.000 0.401 900 D N 1.865 122.244 120.400 -0.036 0.000 2.478 900 D HA 0.057 4.697 4.640 -0.000 0.000 0.274 900 D C 0.574 176.796 176.300 -0.130 0.000 1.234 900 D CA -0.419 53.331 54.000 -0.415 0.000 1.069 900 D CB 0.365 40.560 40.800 -1.009 0.000 1.113 900 D HN 0.207 nan 8.370 nan 0.000 0.571 901 S N -1.606 114.003 115.700 -0.151 0.000 2.447 901 S HA -0.030 4.440 4.470 -0.000 0.000 0.233 901 S C 1.185 175.618 174.600 -0.279 0.000 1.006 901 S CA 0.546 58.629 58.200 -0.195 0.000 0.957 901 S CB -0.505 62.518 63.200 -0.295 0.000 0.773 901 S HN 0.414 nan 8.310 nan 0.000 0.507 902 F N 0.685 120.594 119.950 -0.067 0.000 2.727 902 F HA 0.352 4.879 4.527 -0.000 0.000 0.302 902 F C 1.801 177.591 175.800 -0.018 0.000 1.097 902 F CA 0.150 58.132 58.000 -0.030 0.000 1.330 902 F CB 0.003 38.990 39.000 -0.021 0.000 1.084 902 F HN 0.278 nan 8.300 nan 0.000 0.578 903 G N 0.403 109.273 108.800 0.115 0.000 2.141 903 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.231 903 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.231 903 G C 0.177 175.129 174.900 0.087 0.000 0.984 903 G CA -0.373 44.775 45.100 0.081 0.000 0.660 903 G HN 0.370 nan 8.290 nan 0.000 0.525 904 Q N -0.342 119.526 119.800 0.114 0.000 2.260 904 Q HA 0.605 4.945 4.340 -0.000 0.000 0.238 904 Q C 0.118 176.210 176.000 0.154 0.000 0.948 904 Q CA -0.146 55.708 55.803 0.084 0.000 0.895 904 Q CB 0.770 29.535 28.738 0.047 0.000 1.218 904 Q HN 0.526 nan 8.270 nan 0.000 0.470 905 Q N 0.751 120.594 119.800 0.071 0.000 2.333 905 Q HA 0.363 4.703 4.340 -0.000 0.000 0.267 905 Q C -1.550 174.497 176.000 0.078 0.000 1.012 905 Q CA -0.408 55.479 55.803 0.141 0.000 0.824 905 Q CB 1.404 30.184 28.738 0.070 0.000 1.290 905 Q HN 0.427 nan 8.270 nan 0.000 0.449 906 W N 1.542 122.852 121.300 0.016 0.000 2.573 906 W HA 0.347 5.007 4.660 -0.000 0.000 0.326 906 W C 0.636 177.126 176.519 -0.048 0.000 1.049 906 W CA -0.593 56.745 57.345 -0.012 0.000 1.220 906 W CB 1.488 30.959 29.460 0.018 0.000 1.373 906 W HN 0.587 nan 8.180 nan 0.000 0.507 907 T N -1.248 113.381 114.554 0.124 0.000 2.715 907 T HA -0.029 4.321 4.350 -0.000 0.000 0.320 907 T C 0.661 175.389 174.700 0.046 0.000 1.046 907 T CA 0.266 62.411 62.100 0.076 0.000 0.983 907 T CB 0.355 69.249 68.868 0.043 0.000 1.183 907 T HN 0.445 nan 8.240 nan 0.000 0.522 908 Y N 0.771 121.008 120.300 -0.105 0.000 2.153 908 Y HA 0.064 4.614 4.550 -0.000 0.000 0.289 908 Y C 2.626 178.397 175.900 -0.216 0.000 1.127 908 Y CA 1.714 59.689 58.100 -0.207 0.000 1.131 908 Y CB -0.389 37.949 38.460 -0.202 0.000 0.995 908 Y HN 0.632 nan 8.280 nan 0.000 0.505 909 E N 0.317 120.399 120.200 -0.197 0.000 2.204 909 E HA -0.186 4.163 4.350 -0.000 0.000 0.194 909 E C 2.045 178.514 176.600 -0.219 0.000 0.989 909 E CA 1.084 57.332 56.400 -0.253 0.000 0.824 909 E CB -0.167 29.506 29.700 -0.046 0.000 0.756 909 E HN 0.693 nan 8.360 nan 0.000 0.477 910 Q N 0.310 120.046 119.800 -0.105 0.000 2.016 910 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 910 Q C 2.319 178.363 176.000 0.073 0.000 0.978 910 Q CA 1.723 57.546 55.803 0.032 0.000 0.833 910 Q CB -0.245 28.560 28.738 0.112 0.000 0.895 910 Q HN 0.238 nan 8.270 nan 0.000 0.427 911 R N 0.338 120.769 120.500 -0.115 0.000 2.148 911 R HA -0.044 4.295 4.340 -0.000 0.000 0.227 911 R C 1.780 177.693 176.300 -0.644 0.000 1.103 911 R CA 0.929 56.690 56.100 -0.565 0.000 0.983 911 R CB -0.054 29.476 30.300 -1.284 0.000 0.874 911 R HN -0.060 nan 8.270 nan 0.000 0.451 912 K N 1.148 121.105 120.400 -0.737 0.000 2.097 912 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 912 K C 2.056 178.044 176.600 -1.020 0.000 1.050 912 K CA 1.065 56.775 56.287 -0.962 0.000 0.938 912 K CB -0.202 31.674 32.500 -1.040 0.000 0.718 912 K HN 0.309 nan 8.250 nan 0.000 0.442 913 I N 0.618 120.826 120.570 -0.603 0.000 2.226 913 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 913 I C 2.210 178.000 176.117 -0.546 0.000 1.100 913 I CA 0.866 61.803 61.300 -0.606 0.000 1.374 913 I CB -0.233 37.572 38.000 -0.325 0.000 1.057 913 I HN -0.163 nan 8.210 nan 0.000 0.413 914 V N 0.496 120.215 119.914 -0.326 0.000 2.358 914 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 914 V C 2.471 178.369 176.094 -0.325 0.000 1.047 914 V CA 2.016 64.179 62.300 -0.229 0.000 1.035 914 V CB -0.639 31.099 31.823 -0.141 0.000 0.658 914 V HN 0.487 nan 8.190 nan 0.000 0.452 915 E N -0.130 119.831 120.200 -0.398 0.000 2.077 915 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 915 E C 2.121 178.344 176.600 -0.627 0.000 0.989 915 E CA 1.618 57.735 56.400 -0.471 0.000 0.800 915 E CB -0.107 29.331 29.700 -0.437 0.000 0.746 915 E HN 0.564 nan 8.360 nan 0.000 0.452 916 F N 0.833 120.421 119.950 -0.602 0.000 2.234 916 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 916 F C 2.580 178.199 175.800 -0.302 0.000 1.087 916 F CA 1.197 58.840 58.000 -0.596 0.000 1.340 916 F CB -1.038 37.718 39.000 -0.406 0.000 1.031 916 F HN 0.008 nan 8.300 nan 0.000 0.500 917 T N -1.059 113.394 114.554 -0.167 0.000 2.833 917 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 917 T C 2.229 176.859 174.700 -0.116 0.000 1.054 917 T CA 1.485 63.546 62.100 -0.065 0.000 1.135 917 T CB -0.830 67.994 68.868 -0.073 0.000 0.869 917 T HN 0.328 nan 8.240 nan 0.000 0.466 918 C N 0.885 120.083 119.300 -0.170 0.000 2.446 918 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 918 C C 2.508 177.553 174.990 0.091 0.000 1.275 918 C CA 0.245 59.199 59.018 -0.106 0.000 1.727 918 C CB -1.237 26.438 27.740 -0.108 0.000 2.010 918 C HN 0.697 nan 8.230 nan 0.000 0.486 919 H N -0.017 119.020 119.070 -0.055 0.000 2.352 919 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 919 H C 2.285 177.614 175.328 0.002 0.000 1.097 919 H CA 1.622 57.632 56.048 -0.065 0.000 1.311 919 H CB -0.227 29.504 29.762 -0.051 0.000 1.377 919 H HN 0.461 nan 8.280 nan 0.000 0.504 920 T N 0.049 114.683 114.554 0.134 0.000 2.777 920 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 920 T C 2.434 177.175 174.700 0.069 0.000 1.040 920 T CA 1.471 63.627 62.100 0.093 0.000 1.141 920 T CB -0.234 68.667 68.868 0.055 0.000 0.868 920 T HN 0.478 nan 8.240 nan 0.000 0.444 921 S N 0.873 116.542 115.700 -0.051 0.000 2.414 921 S HA 0.027 4.497 4.470 -0.000 0.000 0.227 921 S C 1.839 176.348 174.600 -0.152 0.000 1.022 921 S CA 0.233 58.320 58.200 -0.187 0.000 0.958 921 S CB -0.911 62.101 63.200 -0.314 0.000 0.797 921 S HN 0.460 nan 8.310 nan 0.000 0.493 922 F N 1.677 121.512 119.950 -0.192 0.000 2.102 922 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 922 F C 2.034 177.718 175.800 -0.193 0.000 1.105 922 F CA 1.631 59.496 58.000 -0.224 0.000 1.239 922 F CB -0.370 38.469 39.000 -0.267 0.000 0.991 922 F HN 0.287 nan 8.300 nan 0.000 0.474 923 F N 0.850 120.816 119.950 0.027 0.000 2.065 923 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 923 F C 2.022 177.717 175.800 -0.176 0.000 1.112 923 F CA 2.047 60.003 58.000 -0.073 0.000 1.212 923 F CB -0.637 38.304 39.000 -0.099 0.000 0.975 923 F HN -0.069 nan 8.300 nan 0.000 0.476 924 I N -0.118 120.143 120.570 -0.515 0.000 2.394 924 I HA -0.278 3.892 4.170 -0.000 0.000 0.251 924 I C 2.352 178.098 176.117 -0.619 0.000 1.136 924 I CA 1.234 62.071 61.300 -0.772 0.000 1.425 924 I CB -0.515 36.962 38.000 -0.872 0.000 1.079 924 I HN 0.187 nan 8.210 nan 0.000 0.425 925 S N 0.890 116.315 115.700 -0.457 0.000 2.368 925 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 925 S C 1.978 176.333 174.600 -0.409 0.000 1.030 925 S CA 1.041 58.999 58.200 -0.402 0.000 0.999 925 S CB -0.175 62.763 63.200 -0.437 0.000 0.844 925 S HN 0.269 nan 8.310 nan 0.000 0.459 926 I N 1.604 121.946 120.570 -0.380 0.000 2.163 926 I HA -0.118 4.052 4.170 -0.000 0.000 0.243 926 I C 2.336 178.221 176.117 -0.387 0.000 1.085 926 I CA 0.970 62.079 61.300 -0.318 0.000 1.347 926 I CB -1.814 36.056 38.000 -0.216 0.000 1.044 926 I HN 0.142 nan 8.210 nan 0.000 0.408 927 V N 0.627 120.226 119.914 -0.526 0.000 2.287 927 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 927 V C 2.728 178.335 176.094 -0.812 0.000 1.053 927 V CA 1.454 63.434 62.300 -0.534 0.000 1.027 927 V CB -0.640 30.848 31.823 -0.558 0.000 0.646 927 V HN 0.209 nan 8.190 nan 0.000 0.447 928 V N 0.703 120.037 119.914 -0.967 0.000 2.343 928 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 928 V C 2.491 178.163 176.094 -0.704 0.000 1.051 928 V CA 2.137 63.645 62.300 -1.321 0.000 1.036 928 V CB -0.517 30.804 31.823 -0.837 0.000 0.654 928 V HN 0.595 nan 8.190 nan 0.000 0.451 929 V N -2.624 117.050 119.914 -0.400 0.000 2.871 929 V HA -0.103 4.017 4.120 -0.000 0.000 0.256 929 V C 2.156 178.196 176.094 -0.090 0.000 1.082 929 V CA 1.211 63.405 62.300 -0.177 0.000 1.105 929 V CB -0.640 31.107 31.823 -0.126 0.000 0.713 929 V HN 0.429 nan 8.190 nan 0.000 0.473 930 Q N -0.680 119.038 119.800 -0.136 0.000 2.297 930 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 930 Q C 1.921 178.080 176.000 0.265 0.000 0.962 930 Q CA 1.248 57.073 55.803 0.036 0.000 0.879 930 Q CB -0.250 28.485 28.738 -0.004 0.000 0.947 930 Q HN 0.845 nan 8.270 nan 0.000 0.462 931 W N 1.115 122.418 121.300 0.005 0.000 2.315 931 W HA -0.147 4.513 4.660 -0.000 0.000 0.323 931 W C 2.428 178.943 176.519 -0.007 0.000 1.233 931 W CA 1.190 58.512 57.345 -0.037 0.000 1.267 931 W CB -1.375 28.002 29.460 -0.139 0.000 1.160 931 W HN 0.163 nan 8.180 nan 0.000 0.474 932 A N -0.066 122.904 122.820 0.251 0.000 1.877 932 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 932 A C 1.836 179.564 177.584 0.240 0.000 1.186 932 A CA 2.286 54.448 52.037 0.208 0.000 0.620 932 A CB -1.158 17.965 19.000 0.204 0.000 0.822 932 A HN 0.259 nan 8.150 nan 0.000 0.443 933 D N -0.643 119.896 120.400 0.231 0.000 2.133 933 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 933 D C 1.749 178.264 176.300 0.359 0.000 0.997 933 D CA 1.351 55.511 54.000 0.267 0.000 0.840 933 D CB -0.204 40.708 40.800 0.186 0.000 0.947 933 D HN 0.237 nan 8.370 nan 0.000 0.452 934 L N 0.023 121.477 121.223 0.385 0.000 2.042 934 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 934 L C 1.983 178.911 176.870 0.097 0.000 1.076 934 L CA 1.480 56.415 54.840 0.158 0.000 0.749 934 L CB -0.596 41.491 42.059 0.048 0.000 0.893 934 L HN 0.112 nan 8.230 nan 0.000 0.432 935 I N -0.587 120.059 120.570 0.126 0.000 2.439 935 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 935 I C 2.255 178.457 176.117 0.142 0.000 1.139 935 I CA 1.410 62.773 61.300 0.106 0.000 1.438 935 I CB -0.308 37.746 38.000 0.090 0.000 1.085 935 I HN 0.426 nan 8.210 nan 0.000 0.427 936 I N -2.919 117.762 120.570 0.185 0.000 2.406 936 I HA -0.160 4.010 4.170 -0.000 0.000 0.249 936 I C 2.175 178.353 176.117 0.102 0.000 1.122 936 I CA 1.048 62.434 61.300 0.142 0.000 1.431 936 I CB -0.962 37.137 38.000 0.165 0.000 1.087 936 I HN 0.003 nan 8.210 nan 0.000 0.424 937 C N 1.183 120.577 119.300 0.158 0.000 2.466 937 C HA -0.014 4.446 4.460 -0.000 0.000 0.283 937 C C 2.665 177.704 174.990 0.081 0.000 1.472 937 C CA 0.580 59.697 59.018 0.165 0.000 1.765 937 C CB -1.557 26.337 27.740 0.257 0.000 1.724 937 C HN 0.505 nan 8.230 nan 0.000 0.560 938 K N 0.844 121.276 120.400 0.054 0.000 2.097 938 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 938 K C 0.759 177.367 176.600 0.013 0.000 1.049 938 K CA 1.443 57.746 56.287 0.028 0.000 0.933 938 K CB 0.051 32.566 32.500 0.026 0.000 0.717 938 K HN 0.656 nan 8.250 nan 0.000 0.442 939 T N -2.873 111.677 114.554 -0.007 0.000 2.886 939 T HA 0.395 4.745 4.350 -0.000 0.000 0.292 939 T C 0.201 174.838 174.700 -0.105 0.000 1.012 939 T CA -0.983 61.100 62.100 -0.028 0.000 0.982 939 T CB 2.080 70.946 68.868 -0.003 0.000 1.018 939 T HN -0.001 nan 8.240 nan 0.000 0.451 940 R N 0.303 120.726 120.500 -0.128 0.000 2.173 940 R HA 0.259 4.599 4.340 -0.000 0.000 0.208 940 R C 2.298 178.586 176.300 -0.020 0.000 1.035 940 R CA 0.486 56.425 56.100 -0.269 0.000 1.004 940 R CB 0.182 30.265 30.300 -0.361 0.000 0.917 940 R HN 0.703 nan 8.270 nan 0.000 0.462 941 R N -0.485 120.069 120.500 0.091 0.000 2.493 941 R HA 0.133 4.473 4.340 -0.000 0.000 0.177 941 R C -0.175 176.163 176.300 0.064 0.000 0.861 941 R CA -0.228 55.958 56.100 0.142 0.000 1.083 941 R CB 0.298 30.715 30.300 0.194 0.000 1.328 941 R HN 0.012 nan 8.270 nan 0.000 0.615 942 N N 1.254 119.988 118.700 0.058 0.000 2.371 942 N HA -0.021 4.719 4.740 -0.000 0.000 0.243 942 N C -0.563 174.976 175.510 0.049 0.000 1.287 942 N CA 0.245 53.328 53.050 0.056 0.000 0.911 942 N CB 1.233 39.753 38.487 0.054 0.000 1.142 942 N HN 0.174 nan 8.380 nan 0.000 0.451 943 S N 0.097 115.841 115.700 0.073 0.000 2.601 943 S HA 0.215 4.685 4.470 -0.000 0.000 0.271 943 S C 1.561 176.177 174.600 0.028 0.000 1.305 943 S CA -0.755 57.487 58.200 0.069 0.000 1.022 943 S CB 0.343 63.643 63.200 0.166 0.000 0.940 943 S HN 0.539 nan 8.310 nan 0.000 0.525 944 I N 2.670 123.201 120.570 -0.065 0.000 2.361 944 I HA -0.108 4.062 4.170 -0.000 0.000 0.251 944 I C 0.839 176.858 176.117 -0.163 0.000 1.133 944 I CA 1.488 62.707 61.300 -0.135 0.000 1.413 944 I CB -0.138 37.758 38.000 -0.173 0.000 1.073 944 I HN 0.753 nan 8.210 nan 0.000 0.424 945 F N 0.704 120.708 119.950 0.091 0.000 2.502 945 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 945 F C 2.418 178.250 175.800 0.053 0.000 1.111 945 F CA 0.887 58.930 58.000 0.070 0.000 1.445 945 F CB -0.439 38.596 39.000 0.058 0.000 1.081 945 F HN 0.169 nan 8.300 nan 0.000 0.558 946 Q N -0.909 118.997 119.800 0.178 0.000 2.274 946 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 946 Q C 2.050 178.098 176.000 0.080 0.000 0.955 946 Q CA 0.540 56.416 55.803 0.121 0.000 0.859 946 Q CB -0.193 28.609 28.738 0.106 0.000 0.956 946 Q HN 0.205 nan 8.270 nan 0.000 0.516 947 Q N 0.093 119.928 119.800 0.058 0.000 2.230 947 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 947 Q C 0.465 176.486 176.000 0.034 0.000 0.963 947 Q CA 1.124 56.952 55.803 0.041 0.000 0.866 947 Q CB -0.000 28.756 28.738 0.031 0.000 0.931 947 Q HN 0.392 nan 8.270 nan 0.000 0.452 948 G N -0.257 108.559 108.800 0.027 0.000 2.693 948 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 948 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 948 G C -0.317 174.583 174.900 -0.000 0.000 1.354 948 G CA -0.060 45.053 45.100 0.020 0.000 0.873 948 G HN 0.171 nan 8.290 nan 0.000 0.562 949 M N 0.509 120.110 119.600 0.002 0.000 2.944 949 M HA 0.275 4.755 4.480 -0.000 0.000 0.235 949 M C 0.888 177.192 176.300 0.007 0.000 1.188 949 M CA -0.067 55.230 55.300 -0.004 0.000 0.688 949 M CB 0.616 33.204 32.600 -0.020 0.000 1.406 949 M HN 0.589 nan 8.290 nan 0.000 0.479 950 K N -0.096 120.312 120.400 0.013 0.000 2.358 950 K HA 0.142 4.461 4.320 -0.000 0.000 0.197 950 K C 0.623 177.230 176.600 0.011 0.000 1.025 950 K CA -0.119 56.176 56.287 0.013 0.000 1.104 950 K CB 0.528 33.039 32.500 0.019 0.000 0.855 950 K HN 0.207 nan 8.250 nan 0.000 0.531 951 N N 2.307 121.016 118.700 0.015 0.000 2.415 951 N HA 0.012 4.752 4.740 -0.000 0.000 0.250 951 N C 0.464 175.970 175.510 -0.006 0.000 1.127 951 N CA 0.206 53.265 53.050 0.014 0.000 0.945 951 N CB 0.725 39.236 38.487 0.040 0.000 1.196 951 N HN -0.086 nan 8.380 nan 0.000 0.499 952 K N 3.383 123.757 120.400 -0.043 0.000 2.155 952 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 952 K C 1.582 178.161 176.600 -0.035 0.000 1.052 952 K CA 0.602 56.863 56.287 -0.043 0.000 0.948 952 K CB 0.201 32.652 32.500 -0.083 0.000 0.728 952 K HN 0.543 nan 8.250 nan 0.000 0.448 953 I N 1.183 121.678 120.570 -0.125 0.000 2.315 953 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 953 I C 2.461 178.639 176.117 0.102 0.000 1.117 953 I CA 0.817 62.067 61.300 -0.085 0.000 1.404 953 I CB -1.107 36.697 38.000 -0.327 0.000 1.071 953 I HN 0.062 nan 8.210 nan 0.000 0.419 954 L N 1.091 122.346 121.223 0.054 0.000 1.994 954 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 954 L C 2.616 179.522 176.870 0.060 0.000 1.071 954 L CA 1.640 56.508 54.840 0.047 0.000 0.745 954 L CB -0.166 41.904 42.059 0.017 0.000 0.892 954 L HN 0.028 nan 8.230 nan 0.000 0.431 955 I N -0.978 119.640 120.570 0.080 0.000 2.208 955 I HA -0.348 3.822 4.170 -0.000 0.000 0.245 955 I C 2.360 178.628 176.117 0.252 0.000 1.097 955 I CA 1.551 62.928 61.300 0.127 0.000 1.363 955 I CB -0.476 37.607 38.000 0.137 0.000 1.051 955 I HN 0.293 nan 8.210 nan 0.000 0.413 956 F N 1.983 121.978 119.950 0.075 0.000 2.091 956 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 956 F C 2.328 178.187 175.800 0.099 0.000 1.103 956 F CA 1.770 59.816 58.000 0.076 0.000 1.228 956 F CB -0.963 38.032 39.000 -0.008 0.000 0.984 956 F HN 0.021 nan 8.300 nan 0.000 0.477 957 G N 0.734 109.558 108.800 0.039 0.000 2.440 957 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 957 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 957 G C 1.813 176.670 174.900 -0.071 0.000 1.154 957 G CA 1.218 46.279 45.100 -0.065 0.000 0.767 957 G HN 0.461 nan 8.290 nan 0.000 0.552 958 L N -0.926 120.259 121.223 -0.062 0.000 1.989 958 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 958 L C 2.747 179.481 176.870 -0.227 0.000 1.071 958 L CA 1.124 55.858 54.840 -0.176 0.000 0.749 958 L CB -0.481 41.358 42.059 -0.366 0.000 0.890 958 L HN 0.163 nan 8.230 nan 0.000 0.431 959 F N 0.090 119.938 119.950 -0.171 0.000 2.102 959 F HA -0.204 4.322 4.527 -0.000 0.000 0.298 959 F C 2.726 178.439 175.800 -0.146 0.000 1.105 959 F CA 1.209 59.118 58.000 -0.151 0.000 1.239 959 F CB -0.202 38.717 39.000 -0.136 0.000 0.991 959 F HN 0.064 nan 8.300 nan 0.000 0.474 960 E N 0.097 120.230 120.200 -0.112 0.000 2.152 960 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 960 E C 2.038 178.618 176.600 -0.033 0.000 0.983 960 E CA 0.844 57.132 56.400 -0.186 0.000 0.818 960 E CB -0.558 28.822 29.700 -0.534 0.000 0.758 960 E HN 0.555 nan 8.360 nan 0.000 0.467 961 E N 0.657 120.859 120.200 0.004 0.000 2.051 961 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 961 E C 1.617 178.332 176.600 0.190 0.000 0.991 961 E CA 1.742 58.206 56.400 0.106 0.000 0.799 961 E CB 0.129 29.915 29.700 0.144 0.000 0.748 961 E HN 0.123 nan 8.360 nan 0.000 0.449 962 T N 0.623 115.316 114.554 0.232 0.000 2.821 962 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 962 T C 1.886 176.762 174.700 0.294 0.000 1.046 962 T CA 1.052 63.355 62.100 0.339 0.000 1.139 962 T CB -0.244 68.818 68.868 0.324 0.000 0.871 962 T HN 0.323 nan 8.240 nan 0.000 0.454 963 A N 1.372 124.312 122.820 0.200 0.000 1.902 963 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 963 A C 2.289 180.028 177.584 0.257 0.000 1.181 963 A CA 1.179 53.331 52.037 0.192 0.000 0.623 963 A CB -0.922 18.140 19.000 0.104 0.000 0.818 963 A HN 0.475 nan 8.150 nan 0.000 0.443 964 L N -0.752 120.608 121.223 0.229 0.000 2.017 964 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 964 L C 2.923 180.027 176.870 0.390 0.000 1.073 964 L CA 1.505 56.517 54.840 0.286 0.000 0.745 964 L CB -0.428 41.761 42.059 0.216 0.000 0.894 964 L HN 0.418 nan 8.230 nan 0.000 0.432 965 A N -0.257 122.798 122.820 0.393 0.000 1.883 965 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 965 A C 2.421 180.297 177.584 0.487 0.000 1.186 965 A CA 1.894 54.215 52.037 0.474 0.000 0.624 965 A CB -0.989 18.156 19.000 0.241 0.000 0.822 965 A HN 0.582 nan 8.150 nan 0.000 0.444 966 A N -1.274 121.897 122.820 0.584 0.000 1.902 966 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 966 A C 2.063 179.955 177.584 0.514 0.000 1.181 966 A CA 1.699 54.129 52.037 0.655 0.000 0.623 966 A CB -0.757 18.588 19.000 0.574 0.000 0.818 966 A HN 0.706 nan 8.150 nan 0.000 0.443 967 F N -0.021 120.099 119.950 0.283 0.000 2.134 967 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 967 F C 1.759 177.636 175.800 0.129 0.000 1.097 967 F CA 1.494 59.613 58.000 0.198 0.000 1.264 967 F CB -0.297 38.789 39.000 0.144 0.000 1.001 967 F HN 0.158 nan 8.300 nan 0.000 0.479 968 L N -0.574 120.689 121.223 0.066 0.000 2.201 968 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 968 L C 2.669 179.418 176.870 -0.201 0.000 1.105 968 L CA 1.836 56.594 54.840 -0.137 0.000 0.775 968 L CB -1.010 41.025 42.059 -0.041 0.000 0.913 968 L HN 0.322 nan 8.230 nan 0.000 0.440 969 S N -2.062 113.552 115.700 -0.144 0.000 2.421 969 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 969 S C 1.865 176.266 174.600 -0.332 0.000 1.035 969 S CA 0.484 58.505 58.200 -0.298 0.000 0.953 969 S CB -0.159 62.773 63.200 -0.446 0.000 0.810 969 S HN 0.493 nan 8.310 nan 0.000 0.497 970 Y N 0.365 120.692 120.300 0.046 0.000 2.509 970 Y HA 0.355 4.905 4.550 -0.000 0.000 0.270 970 Y C 1.496 177.363 175.900 -0.054 0.000 1.103 970 Y CA -0.520 57.605 58.100 0.041 0.000 1.278 970 Y CB -0.060 38.473 38.460 0.121 0.000 1.087 970 Y HN 0.265 nan 8.280 nan 0.000 0.542 971 C N 5.344 124.591 119.300 -0.089 0.000 2.633 971 C HA 0.151 4.611 4.460 -0.000 0.000 0.415 971 C C -1.823 173.061 174.990 -0.175 0.000 1.393 971 C CA -2.074 56.805 59.018 -0.231 0.000 1.700 971 C CB -0.397 26.868 27.740 -0.792 0.000 2.541 971 C HN 0.170 nan 8.230 nan 0.000 0.603 972 P HA 0.303 nan 4.420 nan 0.000 0.271 972 P C 0.620 177.855 177.300 -0.109 0.000 1.220 972 P CA 1.422 64.476 63.100 -0.077 0.000 0.768 972 P CB 0.813 32.498 31.700 -0.024 0.000 0.848 973 G N 2.852 111.573 108.800 -0.132 0.000 2.232 973 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.226 973 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.226 973 G C 0.956 175.745 174.900 -0.184 0.000 0.996 973 G CA 0.416 45.436 45.100 -0.133 0.000 0.626 973 G HN 0.475 nan 8.290 nan 0.000 0.509 974 T N 1.853 116.264 114.554 -0.238 0.000 3.035 974 T HA 0.038 4.388 4.350 -0.000 0.000 0.268 974 T C 1.929 176.428 174.700 -0.334 0.000 1.109 974 T CA 1.526 63.461 62.100 -0.274 0.000 1.119 974 T CB -0.274 68.403 68.868 -0.318 0.000 0.900 974 T HN 0.721 nan 8.240 nan 0.000 0.503 975 D N 1.359 121.505 120.400 -0.424 0.000 2.310 975 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 975 D C 1.751 177.807 176.300 -0.407 0.000 0.965 975 D CA 0.487 54.088 54.000 -0.665 0.000 0.879 975 D CB -0.300 39.873 40.800 -1.045 0.000 0.921 975 D HN 0.348 nan 8.370 nan 0.000 0.510 976 V N 0.837 120.591 119.914 -0.268 0.000 2.581 976 V HA 0.131 4.251 4.120 -0.000 0.000 0.240 976 V C 2.699 178.682 176.094 -0.185 0.000 1.054 976 V CA 1.088 63.277 62.300 -0.185 0.000 1.076 976 V CB -0.220 31.527 31.823 -0.127 0.000 0.748 976 V HN 0.313 nan 8.190 nan 0.000 0.474 977 A N -0.698 122.017 122.820 -0.174 0.000 1.970 977 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 977 A C 1.912 179.398 177.584 -0.163 0.000 1.170 977 A CA 1.275 53.227 52.037 -0.141 0.000 0.645 977 A CB -0.103 18.833 19.000 -0.105 0.000 0.816 977 A HN 0.490 nan 8.150 nan 0.000 0.447 978 L N -3.156 117.940 121.223 -0.212 0.000 3.217 978 L HA 0.278 4.618 4.340 -0.000 0.000 0.288 978 L C 0.255 176.962 176.870 -0.273 0.000 1.202 978 L CA -0.305 54.398 54.840 -0.227 0.000 1.027 978 L CB 0.420 42.339 42.059 -0.233 0.000 1.427 978 L HN 0.268 nan 8.230 nan 0.000 0.600 979 R N 0.710 121.021 120.500 -0.314 0.000 3.422 979 R HA -0.127 4.213 4.340 -0.000 0.000 0.267 979 R C -0.392 175.806 176.300 -0.169 0.000 1.074 979 R CA 0.511 56.407 56.100 -0.340 0.000 0.718 979 R CB -1.211 28.709 30.300 -0.634 0.000 1.157 979 R HN 0.195 nan 8.270 nan 0.000 0.440 980 M N 0.808 120.244 119.600 -0.273 0.000 2.180 980 M HA 0.326 4.806 4.480 -0.000 0.000 0.350 980 M C -0.251 175.881 176.300 -0.280 0.000 1.125 980 M CA -0.147 55.032 55.300 -0.202 0.000 1.031 980 M CB 1.019 33.450 32.600 -0.282 0.000 1.623 980 M HN -0.041 nan 8.290 nan 0.000 0.451 981 Y N 3.279 123.529 120.300 -0.083 0.000 2.509 981 Y HA 0.484 5.034 4.550 -0.000 0.000 0.341 981 Y C -1.842 174.037 175.900 -0.035 0.000 1.038 981 Y CA -2.221 55.863 58.100 -0.027 0.000 1.089 981 Y CB 1.080 39.561 38.460 0.034 0.000 1.241 981 Y HN 0.465 nan 8.280 nan 0.000 0.468 982 P HA 0.074 nan 4.420 nan 0.000 0.267 982 P C -0.805 176.646 177.300 0.252 0.000 1.205 982 P CA 0.373 63.555 63.100 0.136 0.000 0.765 982 P CB 0.754 32.639 31.700 0.309 0.000 0.828 983 L N 3.478 124.834 121.223 0.222 0.000 2.325 983 L HA 0.336 4.676 4.340 -0.000 0.000 0.279 983 L C 1.093 178.240 176.870 0.460 0.000 1.054 983 L CA -0.863 54.252 54.840 0.460 0.000 0.804 983 L CB 1.000 43.228 42.059 0.282 0.000 1.200 983 L HN 0.268 nan 8.230 nan 0.000 0.436 984 K N 3.212 123.629 120.400 0.029 0.000 2.295 984 K HA 0.133 4.453 4.320 -0.000 0.000 0.270 984 K C -1.610 174.974 176.600 -0.027 0.000 1.011 984 K CA -1.395 54.740 56.287 -0.255 0.000 0.953 984 K CB 0.671 32.670 32.500 -0.835 0.000 0.956 984 K HN 0.265 nan 8.250 nan 0.000 0.477 985 P HA -0.279 nan 4.420 nan 0.000 0.216 985 P C 1.138 178.664 177.300 0.377 0.000 1.157 985 P CA 1.629 64.882 63.100 0.255 0.000 0.880 985 P CB 0.073 31.856 31.700 0.139 0.000 0.791 986 S N -1.970 113.831 115.700 0.168 0.000 2.402 986 S HA -0.236 4.234 4.470 -0.000 0.000 0.233 986 S C 1.975 176.854 174.600 0.466 0.000 1.030 986 S CA 1.074 59.437 58.200 0.271 0.000 1.003 986 S CB -1.957 61.257 63.200 0.024 0.000 0.813 986 S HN 0.351 nan 8.310 nan 0.000 0.477 987 W N 0.388 121.821 121.300 0.222 0.000 2.342 987 W HA -0.091 4.569 4.660 -0.000 0.000 0.297 987 W C 1.928 178.457 176.519 0.017 0.000 1.213 987 W CA 0.005 57.396 57.345 0.077 0.000 1.251 987 W CB -0.486 28.973 29.460 -0.003 0.000 1.136 987 W HN 0.348 nan 8.180 nan 0.000 0.526 988 W N -0.970 120.405 121.300 0.125 0.000 2.421 988 W HA -0.104 4.556 4.660 -0.000 0.000 0.270 988 W C 1.515 177.842 176.519 -0.320 0.000 1.233 988 W CA 0.860 58.092 57.345 -0.189 0.000 1.226 988 W CB -0.891 28.292 29.460 -0.462 0.000 1.121 988 W HN -0.160 nan 8.180 nan 0.000 0.579 989 F N -2.161 117.887 119.950 0.163 0.000 2.727 989 F HA 0.080 4.607 4.527 -0.000 0.000 0.302 989 F C 2.012 177.927 175.800 0.193 0.000 1.097 989 F CA -0.303 57.604 58.000 -0.155 0.000 1.330 989 F CB -0.972 37.821 39.000 -0.346 0.000 1.084 989 F HN -0.212 nan 8.300 nan 0.000 0.578 990 C N 0.625 120.149 119.300 0.374 0.000 2.398 990 C HA -0.221 4.239 4.460 -0.000 0.000 0.276 990 C C 3.001 178.328 174.990 0.562 0.000 1.222 990 C CA 1.621 60.882 59.018 0.406 0.000 1.746 990 C CB -1.332 26.484 27.740 0.127 0.000 2.039 990 C HN 0.522 nan 8.230 nan 0.000 0.470 991 A N -1.330 121.740 122.820 0.418 0.000 2.208 991 A HA 0.180 4.500 4.320 -0.000 0.000 0.209 991 A C 1.704 179.546 177.584 0.429 0.000 1.161 991 A CA 0.221 52.487 52.037 0.383 0.000 0.782 991 A CB -0.714 18.328 19.000 0.071 0.000 0.816 991 A HN 0.568 nan 8.150 nan 0.000 0.477 992 F N 0.844 120.932 119.950 0.231 0.000 2.091 992 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 992 F C -0.273 175.630 175.800 0.171 0.000 1.103 992 F CA 1.978 60.114 58.000 0.225 0.000 1.228 992 F CB -0.946 38.245 39.000 0.319 0.000 0.984 992 F HN 0.238 nan 8.300 nan 0.000 0.477 993 P HA -0.155 nan 4.420 nan 0.000 0.221 993 P C 0.835 178.079 177.300 -0.094 0.000 1.150 993 P CA 1.504 64.628 63.100 0.040 0.000 0.800 993 P CB -0.208 31.418 31.700 -0.123 0.000 0.787 994 Y N -0.966 119.383 120.300 0.081 0.000 2.286 994 Y HA -0.044 4.506 4.550 -0.000 0.000 0.293 994 Y C 2.866 178.790 175.900 0.040 0.000 1.124 994 Y CA 1.289 59.410 58.100 0.035 0.000 1.178 994 Y CB -1.065 37.400 38.460 0.008 0.000 1.010 994 Y HN -0.066 nan 8.280 nan 0.000 0.536 995 S N 0.252 116.055 115.700 0.171 0.000 2.370 995 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 995 S C 2.098 176.778 174.600 0.133 0.000 1.033 995 S CA 1.468 59.720 58.200 0.087 0.000 1.011 995 S CB -0.614 62.559 63.200 -0.045 0.000 0.852 995 S HN 0.403 nan 8.310 nan 0.000 0.457 996 L N 1.522 122.825 121.223 0.132 0.000 2.056 996 L HA 0.122 4.461 4.340 -0.000 0.000 0.207 996 L C 2.074 179.071 176.870 0.211 0.000 1.078 996 L CA 1.613 56.561 54.840 0.179 0.000 0.749 996 L CB -0.560 41.590 42.059 0.153 0.000 0.901 996 L HN 0.482 nan 8.230 nan 0.000 0.433 997 I N -0.860 119.792 120.570 0.136 0.000 2.264 997 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 997 I C 2.342 178.573 176.117 0.191 0.000 1.111 997 I CA 1.608 62.984 61.300 0.126 0.000 1.382 997 I CB -0.009 38.016 38.000 0.040 0.000 1.060 997 I HN 0.322 nan 8.210 nan 0.000 0.418 998 I N 0.316 121.004 120.570 0.195 0.000 2.127 998 I HA -0.372 3.798 4.170 -0.000 0.000 0.241 998 I C 2.436 178.721 176.117 0.280 0.000 1.075 998 I CA 1.925 63.361 61.300 0.227 0.000 1.334 998 I CB -0.505 37.607 38.000 0.188 0.000 1.040 998 I HN 0.260 nan 8.210 nan 0.000 0.405 999 F N 1.325 121.354 119.950 0.132 0.000 2.095 999 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 999 F C 2.222 178.095 175.800 0.121 0.000 1.104 999 F CA 1.713 59.778 58.000 0.108 0.000 1.232 999 F CB -0.079 38.968 39.000 0.078 0.000 0.987 999 F HN -0.105 nan 8.300 nan 0.000 0.475 1000 L N -1.072 120.201 121.223 0.085 0.000 2.027 1000 L HA -0.218 4.122 4.340 -0.000 0.000 0.206 1000 L C 2.364 179.236 176.870 0.004 0.000 1.074 1000 L CA 1.598 56.430 54.840 -0.013 0.000 0.745 1000 L CB -1.277 40.849 42.059 0.111 0.000 0.898 1000 L HN 0.233 nan 8.230 nan 0.000 0.433 1001 Y N 1.261 121.562 120.300 0.001 0.000 2.081 1001 Y HA -0.361 4.189 4.550 -0.000 0.000 0.280 1001 Y C 2.264 178.172 175.900 0.015 0.000 1.163 1001 Y CA 2.206 60.321 58.100 0.026 0.000 1.135 1001 Y CB -0.328 38.168 38.460 0.059 0.000 0.970 1001 Y HN 0.212 nan 8.280 nan 0.000 0.498 1002 D N -0.701 119.709 120.400 0.017 0.000 2.183 1002 D HA -0.147 4.493 4.640 -0.000 0.000 0.203 1002 D C 1.987 178.199 176.300 -0.147 0.000 0.969 1002 D CA 1.169 55.125 54.000 -0.073 0.000 0.842 1002 D CB -0.057 40.784 40.800 0.068 0.000 0.957 1002 D HN 0.445 nan 8.370 nan 0.000 0.484 1003 E N -0.690 119.383 120.200 -0.212 0.000 2.107 1003 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 1003 E C 1.986 178.533 176.600 -0.089 0.000 0.982 1003 E CA 0.863 57.134 56.400 -0.216 0.000 0.809 1003 E CB 0.030 29.476 29.700 -0.423 0.000 0.756 1003 E HN 0.326 nan 8.360 nan 0.000 0.459 1004 M N -0.290 119.249 119.600 -0.102 0.000 2.099 1004 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 1004 M C 2.479 178.786 176.300 0.011 0.000 1.067 1004 M CA 1.447 56.738 55.300 -0.016 0.000 1.124 1004 M CB -0.334 32.241 32.600 -0.041 0.000 1.353 1004 M HN 0.065 nan 8.290 nan 0.000 0.410 1005 R N 0.859 121.267 120.500 -0.153 0.000 2.083 1005 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 1005 R C 2.100 178.383 176.300 -0.029 0.000 1.137 1005 R CA 1.799 57.813 56.100 -0.143 0.000 0.951 1005 R CB -0.175 29.938 30.300 -0.313 0.000 0.851 1005 R HN 0.297 nan 8.270 nan 0.000 0.434 1006 R N -0.729 119.762 120.500 -0.015 0.000 2.148 1006 R HA -0.100 4.240 4.340 -0.000 0.000 0.223 1006 R C 2.126 178.469 176.300 0.071 0.000 1.088 1006 R CA 1.154 57.267 56.100 0.022 0.000 0.985 1006 R CB -0.322 29.985 30.300 0.012 0.000 0.880 1006 R HN 0.242 nan 8.270 nan 0.000 0.451 1007 F N 1.580 121.501 119.950 -0.049 0.000 2.171 1007 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 1007 F C 1.772 177.557 175.800 -0.026 0.000 1.090 1007 F CA 1.176 59.157 58.000 -0.031 0.000 1.293 1007 F CB 0.024 39.003 39.000 -0.034 0.000 1.013 1007 F HN -0.135 nan 8.300 nan 0.000 0.486 1008 I N 0.318 120.828 120.570 -0.101 0.000 2.202 1008 I HA -0.266 3.903 4.170 -0.000 0.000 0.242 1008 I C 2.593 178.625 176.117 -0.141 0.000 1.091 1008 I CA 1.172 62.374 61.300 -0.164 0.000 1.368 1008 I CB -1.473 36.510 38.000 -0.028 0.000 1.058 1008 I HN 0.181 nan 8.210 nan 0.000 0.410 1009 I N 0.885 121.410 120.570 -0.076 0.000 2.087 1009 I HA -0.369 3.801 4.170 -0.000 0.000 0.240 1009 I C 2.902 178.940 176.117 -0.132 0.000 1.054 1009 I CA 1.704 62.953 61.300 -0.084 0.000 1.311 1009 I CB -0.437 37.527 38.000 -0.060 0.000 1.024 1009 I HN 0.223 nan 8.210 nan 0.000 0.402 1010 R N 0.089 120.509 120.500 -0.132 0.000 2.073 1010 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 1010 R C 2.387 178.581 176.300 -0.178 0.000 1.134 1010 R CA 0.983 57.005 56.100 -0.130 0.000 0.952 1010 R CB -0.356 29.899 30.300 -0.074 0.000 0.850 1010 R HN 0.310 nan 8.270 nan 0.000 0.433 1011 R N 0.868 121.188 120.500 -0.300 0.000 2.241 1011 R HA -0.029 4.311 4.340 -0.000 0.000 0.224 1011 R C 0.507 176.690 176.300 -0.196 0.000 1.101 1011 R CA 0.967 56.873 56.100 -0.324 0.000 0.995 1011 R CB 0.079 30.030 30.300 -0.582 0.000 0.870 1011 R HN 0.215 nan 8.270 nan 0.000 0.463 1012 S N -1.113 114.494 115.700 -0.156 0.000 2.423 1012 S HA 0.309 4.779 4.470 -0.000 0.000 0.213 1012 S C -2.446 172.105 174.600 -0.081 0.000 1.131 1012 S CA -1.238 56.903 58.200 -0.098 0.000 1.155 1012 S CB 2.051 65.207 63.200 -0.074 0.000 1.202 1012 S HN -0.202 nan 8.310 nan 0.000 0.441 1013 P HA 0.060 nan 4.420 nan 0.000 0.234 1013 P C 1.759 179.021 177.300 -0.063 0.000 1.162 1013 P CA 1.147 64.192 63.100 -0.092 0.000 0.759 1013 P CB -0.306 31.344 31.700 -0.084 0.000 0.813 1014 G N 0.340 109.118 108.800 -0.036 0.000 2.812 1014 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 1014 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 1014 G C 1.290 176.193 174.900 0.005 0.000 1.287 1014 G CA 1.637 46.733 45.100 -0.006 0.000 0.796 1014 G HN 0.420 nan 8.290 nan 0.000 0.649 1015 G N -2.795 106.025 108.800 0.033 0.000 3.897 1015 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.207 1015 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.207 1015 G C 0.971 175.906 174.900 0.059 0.000 0.872 1015 G CA 0.704 45.820 45.100 0.027 0.000 0.872 1015 G HN 0.338 nan 8.290 nan 0.000 0.442 1016 W N 1.919 123.210 121.300 -0.015 0.000 2.311 1016 W HA -0.130 4.530 4.660 -0.000 0.000 0.326 1016 W C 2.399 178.925 176.519 0.012 0.000 1.239 1016 W CA 3.327 60.672 57.345 0.001 0.000 1.258 1016 W CB -0.368 29.091 29.460 -0.002 0.000 1.165 1016 W HN 0.055 nan 8.180 nan 0.000 0.466 1017 V N 0.335 120.462 119.914 0.354 0.000 2.427 1017 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 1017 V C 2.107 178.211 176.094 0.017 0.000 1.051 1017 V CA 2.297 64.715 62.300 0.196 0.000 1.048 1017 V CB -1.050 30.918 31.823 0.242 0.000 0.666 1017 V HN 0.317 nan 8.190 nan 0.000 0.456 1018 E N 0.731 120.937 120.200 0.011 0.000 2.017 1018 E HA -0.297 4.053 4.350 -0.000 0.000 0.193 1018 E C 2.340 178.951 176.600 0.018 0.000 0.997 1018 E CA 1.726 58.121 56.400 -0.008 0.000 0.804 1018 E CB -0.199 29.441 29.700 -0.100 0.000 0.757 1018 E HN 0.804 nan 8.360 nan 0.000 0.448 1019 Q N -0.525 119.242 119.800 -0.055 0.000 2.436 1019 Q HA -0.125 4.214 4.340 -0.000 0.000 0.209 1019 Q C 1.341 177.265 176.000 -0.127 0.000 0.965 1019 Q CA 0.887 56.651 55.803 -0.064 0.000 0.910 1019 Q CB 0.246 28.936 28.738 -0.081 0.000 0.980 1019 Q HN 0.226 nan 8.270 nan 0.000 0.491 1020 E N 0.826 120.890 120.200 -0.226 0.000 2.201 1020 E HA -0.017 4.332 4.350 -0.000 0.000 0.193 1020 E C 1.594 178.138 176.600 -0.093 0.000 0.957 1020 E CA 1.800 58.036 56.400 -0.273 0.000 0.858 1020 E CB 0.696 30.020 29.700 -0.627 0.000 0.816 1020 E HN 0.610 nan 8.360 nan 0.000 0.475 1021 T N -3.166 111.385 114.554 -0.004 0.000 2.969 1021 T HA 0.040 4.390 4.350 -0.000 0.000 0.258 1021 T C 0.561 175.387 174.700 0.211 0.000 0.962 1021 T CA -0.443 61.722 62.100 0.108 0.000 0.903 1021 T CB -0.481 68.456 68.868 0.115 0.000 1.177 1021 T HN -0.038 nan 8.240 nan 0.000 0.511 1022 Y N 4.405 124.735 120.300 0.049 0.000 2.601 1022 Y HA 0.322 4.872 4.550 -0.000 0.000 0.350 1022 Y C -0.048 175.945 175.900 0.155 0.000 1.230 1022 Y CA -1.900 56.230 58.100 0.050 0.000 1.733 1022 Y CB -1.341 37.123 38.460 0.006 0.000 1.497 1022 Y HN 0.143 nan 8.280 nan 0.000 0.472 1023 Y N 0.000 120.145 120.300 -0.259 0.000 2.660 1023 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1023 Y CA 0.000 57.958 58.100 -0.236 0.000 1.940 1023 Y CB 0.000 38.303 38.460 -0.261 0.000 1.050 1023 Y HN 0.000 nan 8.280 nan 0.000 0.758