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 3a3y_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 0.000 176.857 176.870 -0.022 0.000 1.165 32 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 32 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 33 D N -0.066 120.321 120.400 -0.022 0.000 2.350 33 D HA 0.002 4.642 4.640 -0.000 0.000 0.213 33 D C 1.373 177.658 176.300 -0.025 0.000 1.031 33 D CA 0.337 54.321 54.000 -0.027 0.000 0.861 33 D CB 0.561 41.346 40.800 -0.026 0.000 0.926 33 D HN 0.166 nan 8.370 nan 0.000 0.520 34 E N 0.009 120.197 120.200 -0.020 0.000 2.107 34 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 34 E C 1.752 178.342 176.600 -0.017 0.000 0.982 34 E CA 0.241 56.630 56.400 -0.017 0.000 0.809 34 E CB -0.051 29.642 29.700 -0.013 0.000 0.756 34 E HN 0.182 nan 8.360 nan 0.000 0.459 35 L N 1.021 122.234 121.223 -0.018 0.000 2.079 35 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 35 L C 1.505 178.361 176.870 -0.023 0.000 1.081 35 L CA 1.851 56.680 54.840 -0.017 0.000 0.752 35 L CB -0.083 41.965 42.059 -0.019 0.000 0.896 35 L HN -0.065 nan 8.230 nan 0.000 0.433 36 K N -0.563 119.818 120.400 -0.031 0.000 2.362 36 K HA -0.104 4.216 4.320 -0.000 0.000 0.200 36 K C 1.821 178.401 176.600 -0.033 0.000 1.046 36 K CA 0.977 57.241 56.287 -0.039 0.000 0.952 36 K CB -0.037 32.433 32.500 -0.050 0.000 0.753 36 K HN 0.320 nan 8.250 nan 0.000 0.466 37 K N 0.866 121.249 120.400 -0.028 0.000 2.432 37 K HA -0.009 4.311 4.320 -0.000 0.000 0.196 37 K C 0.044 176.632 176.600 -0.020 0.000 1.038 37 K CA 0.519 56.789 56.287 -0.027 0.000 0.986 37 K CB 0.258 32.741 32.500 -0.027 0.000 0.782 37 K HN 0.148 nan 8.250 nan 0.000 0.485 38 E N 1.149 121.342 120.200 -0.012 0.000 2.319 38 E HA 0.141 4.491 4.350 -0.000 0.000 0.268 38 E C 0.130 176.731 176.600 0.002 0.000 1.050 38 E CA -0.428 55.972 56.400 -0.001 0.000 0.878 38 E CB 1.409 31.112 29.700 0.005 0.000 1.066 38 E HN -0.212 nan 8.360 nan 0.000 0.406 39 V N 0.812 120.735 119.914 0.015 0.000 3.083 39 V HA 0.173 4.293 4.120 -0.000 0.000 0.306 39 V C 0.828 176.946 176.094 0.040 0.000 1.077 39 V CA -0.756 61.557 62.300 0.021 0.000 1.073 39 V CB 1.221 33.062 31.823 0.029 0.000 1.081 39 V HN 0.552 nan 8.190 nan 0.000 0.474 40 S N 1.481 117.214 115.700 0.054 0.000 2.603 40 S HA 0.643 5.113 4.470 -0.000 0.000 0.268 40 S C -0.303 174.373 174.600 0.126 0.000 1.317 40 S CA -0.324 57.929 58.200 0.089 0.000 1.012 40 S CB 0.500 63.772 63.200 0.120 0.000 0.926 40 S HN 0.590 nan 8.310 nan 0.000 0.539 41 M N 2.201 121.897 119.600 0.160 0.000 2.267 41 M HA 0.468 4.948 4.480 -0.000 0.000 0.289 41 M C -1.220 175.217 176.300 0.229 0.000 1.043 41 M CA -0.400 55.003 55.300 0.172 0.000 0.928 41 M CB 2.101 34.778 32.600 0.127 0.000 1.613 41 M HN 0.495 nan 8.290 nan 0.000 0.450 42 D N 0.334 120.886 120.400 0.253 0.000 2.989 42 D HA 0.541 5.181 4.640 -0.000 0.000 0.284 42 D C -0.966 175.469 176.300 0.225 0.000 1.212 42 D CA -0.116 54.056 54.000 0.287 0.000 1.055 42 D CB 1.265 42.272 40.800 0.345 0.000 1.351 42 D HN 0.727 nan 8.370 nan 0.000 0.611 43 D N -2.145 118.422 120.400 0.277 0.000 3.120 43 D HA 0.070 4.710 4.640 -0.000 0.000 0.331 43 D C -0.172 176.174 176.300 0.076 0.000 1.595 43 D CA -0.240 53.797 54.000 0.062 0.000 0.771 43 D CB -1.121 39.684 40.800 0.009 0.000 1.274 43 D HN 0.541 nan 8.370 nan 0.000 0.503 44 H N -0.844 118.242 119.070 0.027 0.000 2.547 44 H HA 0.255 4.811 4.556 0.000 0.000 0.272 44 H C 1.238 176.569 175.328 0.004 0.000 0.989 44 H CA 0.263 56.350 56.048 0.065 0.000 1.214 44 H CB 0.256 30.120 29.762 0.169 0.000 1.389 44 H HN 0.042 nan 8.280 nan 0.000 0.577 45 K N 0.909 120.979 120.400 -0.550 0.000 2.243 45 K HA 0.133 4.453 4.320 -0.000 0.000 0.201 45 K C 0.326 176.730 176.600 -0.328 0.000 1.051 45 K CA -0.035 55.877 56.287 -0.626 0.000 0.970 45 K CB 0.332 32.411 32.500 -0.701 0.000 0.755 45 K HN 0.183 nan 8.250 nan 0.000 0.465 46 L N 2.292 123.393 121.223 -0.203 0.000 2.499 46 L HA -0.053 4.287 4.340 -0.000 0.000 0.281 46 L C 0.879 177.708 176.870 -0.068 0.000 1.234 46 L CA -0.311 54.459 54.840 -0.117 0.000 0.839 46 L CB 0.317 42.325 42.059 -0.084 0.000 1.104 46 L HN 0.208 nan 8.230 nan 0.000 0.500 47 S N 1.569 117.244 115.700 -0.041 0.000 2.614 47 S HA 0.216 4.686 4.470 -0.000 0.000 0.265 47 S C 1.055 175.676 174.600 0.035 0.000 1.303 47 S CA -0.808 57.393 58.200 0.002 0.000 1.000 47 S CB 0.977 64.180 63.200 0.005 0.000 0.935 47 S HN 0.434 nan 8.310 nan 0.000 0.551 48 L N 1.037 122.304 121.223 0.073 0.000 1.990 48 L HA -0.085 4.255 4.340 -0.000 0.000 0.213 48 L C 2.578 179.602 176.870 0.256 0.000 1.072 48 L CA 2.085 57.009 54.840 0.139 0.000 0.755 48 L CB -1.252 40.904 42.059 0.162 0.000 0.889 48 L HN 0.825 nan 8.230 nan 0.000 0.432 49 D N 0.121 120.627 120.400 0.178 0.000 2.106 49 D HA -0.224 4.416 4.640 -0.000 0.000 0.191 49 D C 2.096 178.469 176.300 0.121 0.000 0.997 49 D CA 1.526 55.615 54.000 0.148 0.000 0.834 49 D CB -0.019 40.814 40.800 0.055 0.000 0.956 49 D HN 0.434 nan 8.370 nan 0.000 0.448 50 E N -0.565 119.666 120.200 0.052 0.000 2.130 50 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 50 E C 2.274 178.861 176.600 -0.021 0.000 0.998 50 E CA 0.489 56.889 56.400 0.000 0.000 0.806 50 E CB -0.110 29.571 29.700 -0.031 0.000 0.738 50 E HN 0.279 nan 8.360 nan 0.000 0.459 51 L N 0.423 121.643 121.223 -0.004 0.000 2.027 51 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 51 L C 2.346 179.194 176.870 -0.037 0.000 1.074 51 L CA 1.380 56.190 54.840 -0.049 0.000 0.745 51 L CB -0.194 41.829 42.059 -0.059 0.000 0.898 51 L HN 0.216 nan 8.230 nan 0.000 0.433 52 H N -1.073 118.038 119.070 0.067 0.000 2.293 52 H HA -0.163 4.393 4.556 -0.000 0.000 0.300 52 H C 2.035 177.382 175.328 0.032 0.000 1.082 52 H CA 1.522 57.616 56.048 0.076 0.000 1.308 52 H CB -0.386 29.402 29.762 0.045 0.000 1.375 52 H HN 0.345 nan 8.280 nan 0.000 0.495 53 N N 1.345 120.122 118.700 0.128 0.000 2.064 53 N HA -0.208 4.532 4.740 -0.000 0.000 0.200 53 N C 1.783 177.265 175.510 -0.045 0.000 1.028 53 N CA 1.460 54.527 53.050 0.029 0.000 0.880 53 N CB -0.334 38.154 38.487 0.001 0.000 1.062 53 N HN 0.295 nan 8.380 nan 0.000 0.454 54 K N -1.351 118.959 120.400 -0.149 0.000 2.442 54 K HA -0.108 4.212 4.320 -0.000 0.000 0.198 54 K C 0.207 176.516 176.600 -0.484 0.000 1.042 54 K CA 0.835 56.910 56.287 -0.354 0.000 0.958 54 K CB 0.057 32.240 32.500 -0.528 0.000 0.766 54 K HN 0.327 nan 8.250 nan 0.000 0.474 55 Y N -0.471 119.811 120.300 -0.030 0.000 2.682 55 Y HA 0.258 4.808 4.550 -0.000 0.000 0.251 55 Y C 0.578 176.478 175.900 0.001 0.000 1.172 55 Y CA -0.369 57.712 58.100 -0.031 0.000 1.186 55 Y CB 0.918 39.335 38.460 -0.072 0.000 1.216 55 Y HN 0.103 nan 8.280 nan 0.000 0.540 56 G N 1.913 110.783 108.800 0.118 0.000 2.395 56 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.292 56 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.292 56 G C 0.178 175.147 174.900 0.115 0.000 0.953 56 G CA 1.286 46.442 45.100 0.093 0.000 1.207 56 G HN 0.410 nan 8.290 nan 0.000 0.503 57 T N -0.884 113.767 114.554 0.163 0.000 2.896 57 T HA 0.521 4.871 4.350 -0.000 0.000 0.297 57 T C -1.274 173.564 174.700 0.230 0.000 1.108 57 T CA -0.423 61.792 62.100 0.191 0.000 1.004 57 T CB 2.017 71.009 68.868 0.207 0.000 1.159 57 T HN 0.179 nan 8.240 nan 0.000 0.499 58 D N 2.709 123.193 120.400 0.141 0.000 2.168 58 D HA 0.228 4.868 4.640 -0.000 0.000 0.246 58 D C 1.035 177.323 176.300 -0.021 0.000 1.050 58 D CA -0.471 53.531 54.000 0.004 0.000 0.857 58 D CB 1.790 42.586 40.800 -0.006 0.000 1.169 58 D HN 0.536 nan 8.370 nan 0.000 0.453 59 L N 3.245 124.242 121.223 -0.377 0.000 2.217 59 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 59 L C 2.023 178.875 176.870 -0.031 0.000 1.107 59 L CA 1.654 56.343 54.840 -0.253 0.000 0.783 59 L CB 0.065 41.814 42.059 -0.518 0.000 0.919 59 L HN 0.599 nan 8.230 nan 0.000 0.442 60 T N -5.333 109.187 114.554 -0.056 0.000 2.999 60 T HA 0.108 4.458 4.350 -0.000 0.000 0.247 60 T C 1.864 176.562 174.700 -0.003 0.000 1.012 60 T CA -0.411 61.676 62.100 -0.021 0.000 1.048 60 T CB 0.064 68.912 68.868 -0.033 0.000 1.020 60 T HN 0.109 nan 8.240 nan 0.000 0.478 61 R N 1.495 121.992 120.500 -0.004 0.000 2.175 61 R HA 0.478 4.818 4.340 -0.000 0.000 0.202 61 R C 1.634 177.947 176.300 0.021 0.000 1.018 61 R CA 0.862 56.966 56.100 0.006 0.000 1.029 61 R CB -0.665 29.635 30.300 0.000 0.000 0.959 61 R HN 0.625 nan 8.270 nan 0.000 0.480 62 G N 1.312 110.133 108.800 0.034 0.000 2.760 62 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 62 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 62 G C -0.632 174.295 174.900 0.045 0.000 1.359 62 G CA -0.657 44.474 45.100 0.052 0.000 0.861 62 G HN 0.079 nan 8.290 nan 0.000 0.541 63 L N 0.510 121.759 121.223 0.044 0.000 2.483 63 L HA 0.402 4.742 4.340 -0.000 0.000 0.277 63 L C 1.756 178.640 176.870 0.024 0.000 1.248 63 L CA 0.788 55.649 54.840 0.036 0.000 0.825 63 L CB 0.149 42.226 42.059 0.029 0.000 1.096 63 L HN 0.776 nan 8.230 nan 0.000 0.512 64 T N 1.855 116.420 114.554 0.019 0.000 2.910 64 T HA 0.116 4.466 4.350 -0.000 0.000 0.293 64 T C 1.393 176.097 174.700 0.005 0.000 1.015 64 T CA -0.510 61.596 62.100 0.011 0.000 1.094 64 T CB 0.416 69.288 68.868 0.008 0.000 0.968 64 T HN 0.492 nan 8.240 nan 0.000 0.521 65 N N 1.776 120.477 118.700 0.001 0.000 2.132 65 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 65 N C 2.067 177.567 175.510 -0.018 0.000 1.015 65 N CA 1.415 54.461 53.050 -0.008 0.000 0.864 65 N CB -0.320 38.162 38.487 -0.009 0.000 1.006 65 N HN 0.717 nan 8.380 nan 0.000 0.430 66 A N 1.853 124.666 122.820 -0.013 0.000 1.855 66 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 66 A C 2.231 179.807 177.584 -0.012 0.000 1.191 66 A CA 1.053 53.081 52.037 -0.015 0.000 0.613 66 A CB -0.173 18.821 19.000 -0.010 0.000 0.829 66 A HN 0.105 nan 8.150 nan 0.000 0.442 67 R N -0.198 120.301 120.500 -0.003 0.000 2.148 67 R HA 0.094 4.434 4.340 -0.000 0.000 0.223 67 R C 2.277 178.579 176.300 0.003 0.000 1.088 67 R CA 1.150 57.252 56.100 0.004 0.000 0.985 67 R CB -1.265 29.043 30.300 0.015 0.000 0.880 67 R HN 0.534 nan 8.270 nan 0.000 0.451 68 A N 1.692 124.511 122.820 -0.002 0.000 1.858 68 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 68 A C 2.077 179.648 177.584 -0.023 0.000 1.190 68 A CA 1.408 53.442 52.037 -0.005 0.000 0.617 68 A CB -0.316 18.683 19.000 -0.002 0.000 0.827 68 A HN 0.201 nan 8.150 nan 0.000 0.443 69 K N -0.542 119.830 120.400 -0.046 0.000 2.063 69 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 69 K C 2.163 178.734 176.600 -0.048 0.000 1.048 69 K CA 1.540 57.783 56.287 -0.074 0.000 0.928 69 K CB -0.169 32.278 32.500 -0.088 0.000 0.713 69 K HN 0.749 nan 8.250 nan 0.000 0.442 70 E N 1.355 121.539 120.200 -0.028 0.000 2.038 70 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 70 E C 1.915 178.511 176.600 -0.005 0.000 1.000 70 E CA 1.201 57.592 56.400 -0.015 0.000 0.803 70 E CB -0.061 29.636 29.700 -0.006 0.000 0.750 70 E HN 0.259 nan 8.360 nan 0.000 0.448 71 I N 1.246 121.817 120.570 0.002 0.000 2.614 71 I HA -0.214 3.956 4.170 -0.000 0.000 0.258 71 I C 2.477 178.600 176.117 0.010 0.000 1.189 71 I CA 0.323 61.631 61.300 0.013 0.000 1.462 71 I CB -0.168 37.844 38.000 0.022 0.000 1.092 71 I HN 0.315 nan 8.210 nan 0.000 0.442 72 L N 0.846 122.068 121.223 -0.002 0.000 1.973 72 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 72 L C 2.786 179.658 176.870 0.003 0.000 1.073 72 L CA 1.795 56.636 54.840 0.002 0.000 0.746 72 L CB -0.384 41.660 42.059 -0.025 0.000 0.891 72 L HN 0.229 nan 8.230 nan 0.000 0.433 73 A N -0.346 122.467 122.820 -0.011 0.000 2.019 73 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 73 A C 2.309 179.894 177.584 0.002 0.000 1.164 73 A CA 1.623 53.656 52.037 -0.007 0.000 0.644 73 A CB -0.614 18.377 19.000 -0.015 0.000 0.805 73 A HN 0.483 nan 8.150 nan 0.000 0.449 74 R N -0.233 120.270 120.500 0.006 0.000 2.088 74 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 74 R C 1.095 177.406 176.300 0.018 0.000 1.136 74 R CA 2.155 58.263 56.100 0.014 0.000 0.926 74 R CB -0.271 30.041 30.300 0.020 0.000 0.837 74 R HN 0.459 nan 8.270 nan 0.000 0.429 75 D N -1.202 119.211 120.400 0.022 0.000 2.338 75 D HA 0.179 4.819 4.640 -0.000 0.000 0.208 75 D C 0.785 177.096 176.300 0.018 0.000 0.997 75 D CA 1.126 55.141 54.000 0.026 0.000 0.880 75 D CB 0.874 41.695 40.800 0.035 0.000 0.980 75 D HN 0.528 nan 8.370 nan 0.000 0.509 76 G N 1.237 110.048 108.800 0.018 0.000 2.592 76 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.684 76 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.684 76 G C -2.822 172.095 174.900 0.028 0.000 1.291 76 G CA -1.115 43.997 45.100 0.019 0.000 0.891 76 G HN -0.080 nan 8.290 nan 0.000 0.544 77 P HA 0.210 nan 4.420 nan 0.000 0.272 77 P C 0.128 177.432 177.300 0.006 0.000 1.230 77 P CA -0.446 62.683 63.100 0.049 0.000 0.788 77 P CB 0.391 32.119 31.700 0.047 0.000 0.949 78 N N 1.000 119.701 118.700 0.002 0.000 3.103 78 N HA 0.087 4.827 4.740 -0.000 0.000 0.305 78 N C -1.009 174.446 175.510 -0.091 0.000 1.232 78 N CA 0.053 53.070 53.050 -0.054 0.000 1.190 78 N CB -0.299 38.164 38.487 -0.040 0.000 1.461 78 N HN 0.234 nan 8.380 nan 0.000 0.538 79 S N 1.444 117.088 115.700 -0.094 0.000 2.536 79 S HA 0.343 4.813 4.470 -0.000 0.000 0.271 79 S C -0.408 174.137 174.600 -0.091 0.000 1.134 79 S CA -0.752 57.399 58.200 -0.082 0.000 0.897 79 S CB 1.702 64.880 63.200 -0.035 0.000 1.094 79 S HN 0.221 nan 8.310 nan 0.000 0.473 80 L N 2.715 123.892 121.223 -0.077 0.000 2.380 80 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 80 L C 0.782 177.631 176.870 -0.036 0.000 1.138 80 L CA -0.387 54.413 54.840 -0.066 0.000 0.832 80 L CB 0.651 42.693 42.059 -0.027 0.000 1.124 80 L HN 0.797 nan 8.230 nan 0.000 0.454 81 T N 1.025 115.552 114.554 -0.044 0.000 2.727 81 T HA 0.387 4.737 4.350 -0.000 0.000 0.298 81 T C -2.143 172.545 174.700 -0.021 0.000 0.942 81 T CA -1.837 60.246 62.100 -0.028 0.000 0.997 81 T CB 0.694 69.543 68.868 -0.031 0.000 0.917 81 T HN 0.311 nan 8.240 nan 0.000 0.487 82 P HA 0.175 nan 4.420 nan 0.000 0.265 82 P C -2.199 175.100 177.300 -0.001 0.000 1.187 82 P CA -0.897 62.206 63.100 0.005 0.000 0.766 82 P CB -0.340 31.367 31.700 0.013 0.000 0.820 83 P HA 0.228 nan 4.420 nan 0.000 0.276 83 P C -2.305 174.999 177.300 0.007 0.000 1.244 83 P CA -1.751 61.349 63.100 0.001 0.000 0.801 83 P CB -0.717 30.986 31.700 0.006 0.000 1.006 84 P HA 0.027 nan 4.420 nan 0.000 0.264 84 P C 0.312 177.621 177.300 0.015 0.000 1.537 84 P CA 0.125 63.229 63.100 0.007 0.000 1.189 84 P CB -0.792 30.910 31.700 0.003 0.000 1.687 85 T N 0.422 114.988 114.554 0.020 0.000 2.802 85 T HA 0.167 4.517 4.350 -0.000 0.000 0.305 85 T C 0.285 175.007 174.700 0.036 0.000 1.053 85 T CA -0.237 61.882 62.100 0.031 0.000 1.058 85 T CB -0.039 68.850 68.868 0.036 0.000 0.988 85 T HN 0.226 nan 8.240 nan 0.000 0.539 86 T N 3.677 118.263 114.554 0.053 0.000 2.756 86 T HA 0.480 4.830 4.350 -0.000 0.000 0.290 86 T C -2.182 172.572 174.700 0.089 0.000 0.985 86 T CA -0.861 61.279 62.100 0.066 0.000 0.955 86 T CB 0.863 69.776 68.868 0.075 0.000 0.930 86 T HN 0.553 nan 8.240 nan 0.000 0.451 87 P HA 0.090 nan 4.420 nan 0.000 0.271 87 P C 1.136 178.543 177.300 0.178 0.000 1.233 87 P CA -0.316 62.840 63.100 0.095 0.000 0.795 87 P CB 0.761 32.487 31.700 0.044 0.000 0.936 88 E N -0.559 119.774 120.200 0.222 0.000 2.072 88 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 88 E C 1.815 178.629 176.600 0.357 0.000 0.982 88 E CA 1.359 57.935 56.400 0.294 0.000 0.803 88 E CB -0.342 29.530 29.700 0.287 0.000 0.755 88 E HN 0.518 nan 8.360 nan 0.000 0.453 89 W N 1.268 122.601 121.300 0.055 0.000 2.354 89 W HA -0.053 4.607 4.660 0.000 0.000 0.315 89 W C 2.300 178.882 176.519 0.104 0.000 1.206 89 W CA 0.271 57.651 57.345 0.058 0.000 1.290 89 W CB -1.079 28.407 29.460 0.043 0.000 1.152 89 W HN 0.033 nan 8.180 nan 0.000 0.489 90 I N 0.545 121.322 120.570 0.344 0.000 2.614 90 I HA -0.254 3.916 4.170 -0.000 0.000 0.258 90 I C 2.200 178.456 176.117 0.230 0.000 1.189 90 I CA 1.231 62.676 61.300 0.242 0.000 1.462 90 I CB -0.142 37.962 38.000 0.173 0.000 1.092 90 I HN -0.163 nan 8.210 nan 0.000 0.442 91 K N 0.082 120.647 120.400 0.274 0.000 2.097 91 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 91 K C 1.927 178.750 176.600 0.373 0.000 1.050 91 K CA 1.440 57.935 56.287 0.346 0.000 0.938 91 K CB -0.375 32.416 32.500 0.485 0.000 0.718 91 K HN 0.314 nan 8.250 nan 0.000 0.442 92 F N 0.655 120.623 119.950 0.028 0.000 2.270 92 F HA -0.092 4.435 4.527 -0.000 0.000 0.295 92 F C 2.091 177.895 175.800 0.007 0.000 1.087 92 F CA 0.653 58.570 58.000 -0.138 0.000 1.365 92 F CB -0.124 38.634 39.000 -0.404 0.000 1.056 92 F HN -0.082 nan 8.300 nan 0.000 0.506 93 C N 0.782 120.153 119.300 0.118 0.000 2.448 93 C HA -0.008 4.452 4.460 -0.000 0.000 0.280 93 C C 2.629 177.708 174.990 0.147 0.000 1.398 93 C CA 0.343 59.416 59.018 0.093 0.000 1.774 93 C CB -1.092 26.758 27.740 0.183 0.000 1.888 93 C HN 0.328 nan 8.230 nan 0.000 0.519 94 R N 0.750 121.338 120.500 0.146 0.000 2.193 94 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 94 R C 2.014 178.400 176.300 0.143 0.000 1.055 94 R CA 0.783 56.986 56.100 0.172 0.000 0.995 94 R CB -0.268 30.114 30.300 0.137 0.000 0.893 94 R HN 0.655 nan 8.270 nan 0.000 0.459 95 Q N 0.362 120.188 119.800 0.044 0.000 2.331 95 Q HA 0.056 4.396 4.340 -0.000 0.000 0.203 95 Q C 2.059 178.024 176.000 -0.058 0.000 0.944 95 Q CA 0.568 56.366 55.803 -0.008 0.000 0.892 95 Q CB 0.037 28.736 28.738 -0.065 0.000 0.983 95 Q HN 0.336 nan 8.270 nan 0.000 0.482 96 L N -0.374 120.769 121.223 -0.134 0.000 2.633 96 L HA -0.015 4.324 4.340 -0.000 0.000 0.235 96 L C 0.568 177.281 176.870 -0.261 0.000 1.163 96 L CA 0.602 55.317 54.840 -0.209 0.000 0.859 96 L CB -0.193 41.683 42.059 -0.305 0.000 0.973 96 L HN 0.050 nan 8.230 nan 0.000 0.451 97 F N -1.125 118.894 119.950 0.114 0.000 2.805 97 F HA 0.294 4.821 4.527 -0.000 0.000 0.317 97 F C 1.628 177.467 175.800 0.066 0.000 1.146 97 F CA -0.603 57.477 58.000 0.132 0.000 1.265 97 F CB 0.224 39.249 39.000 0.043 0.000 0.992 97 F HN -0.139 nan 8.300 nan 0.000 0.511 98 G N 0.362 109.246 108.800 0.139 0.000 3.180 98 G HA2 0.357 4.317 3.960 -0.000 0.000 0.246 98 G HA3 0.357 4.317 3.960 -0.000 0.000 0.246 98 G C 1.119 175.968 174.900 -0.085 0.000 0.939 98 G CA 0.705 45.827 45.100 0.036 0.000 1.920 98 G HN 0.711 nan 8.290 nan 0.000 0.612 99 G N 0.711 109.480 108.800 -0.053 0.000 3.594 99 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.285 99 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.285 99 G C 1.055 175.912 174.900 -0.072 0.000 1.551 99 G CA 0.425 45.407 45.100 -0.198 0.000 1.061 99 G HN 0.379 nan 8.290 nan 0.000 0.624 100 F N 2.796 122.784 119.950 0.062 0.000 2.192 100 F HA -0.014 4.513 4.527 0.000 0.000 0.301 100 F C 3.031 178.836 175.800 0.007 0.000 1.079 100 F CA 1.822 59.838 58.000 0.027 0.000 1.303 100 F CB -1.185 37.825 39.000 0.016 0.000 1.024 100 F HN 0.313 nan 8.300 nan 0.000 0.494 101 S N 1.319 117.116 115.700 0.162 0.000 2.377 101 S HA -0.249 4.221 4.470 -0.000 0.000 0.224 101 S C 2.132 176.847 174.600 0.193 0.000 1.042 101 S CA 1.997 60.238 58.200 0.069 0.000 1.086 101 S CB -0.948 62.334 63.200 0.136 0.000 0.995 101 S HN 0.413 nan 8.310 nan 0.000 0.428 102 I N 1.909 122.759 120.570 0.467 0.000 2.118 102 I HA -0.225 3.945 4.170 -0.000 0.000 0.241 102 I C 2.218 178.603 176.117 0.446 0.000 1.070 102 I CA 1.297 63.006 61.300 0.681 0.000 1.327 102 I CB -0.859 37.418 38.000 0.461 0.000 1.034 102 I HN 0.179 nan 8.210 nan 0.000 0.405 103 L N 0.296 121.672 121.223 0.254 0.000 2.079 103 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 103 L C 2.557 179.480 176.870 0.088 0.000 1.081 103 L CA 1.086 56.023 54.840 0.161 0.000 0.752 103 L CB -0.693 41.457 42.059 0.151 0.000 0.896 103 L HN 0.326 nan 8.230 nan 0.000 0.433 104 L N -1.487 119.742 121.223 0.010 0.000 2.201 104 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 104 L C 2.368 179.132 176.870 -0.177 0.000 1.105 104 L CA 1.773 56.523 54.840 -0.150 0.000 0.775 104 L CB -0.813 41.080 42.059 -0.277 0.000 0.913 104 L HN 0.428 nan 8.230 nan 0.000 0.440 105 W N 0.424 121.717 121.300 -0.011 0.000 2.381 105 W HA -0.127 4.533 4.660 0.000 0.000 0.301 105 W C 2.423 178.945 176.519 0.005 0.000 1.205 105 W CA 0.339 57.682 57.345 -0.003 0.000 1.285 105 W CB -0.566 28.909 29.460 0.025 0.000 1.133 105 W HN -0.008 nan 8.180 nan 0.000 0.521 106 I N 0.421 121.133 120.570 0.236 0.000 2.335 106 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 106 I C 2.619 178.764 176.117 0.046 0.000 1.129 106 I CA 1.545 62.925 61.300 0.132 0.000 1.402 106 I CB -1.220 36.845 38.000 0.108 0.000 1.069 106 I HN 0.109 nan 8.210 nan 0.000 0.424 107 G N 0.556 109.351 108.800 -0.009 0.000 2.424 107 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 107 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 107 G C 1.914 176.714 174.900 -0.167 0.000 1.202 107 G CA 0.752 45.799 45.100 -0.089 0.000 0.793 107 G HN 0.456 nan 8.290 nan 0.000 0.534 108 A N 0.728 123.423 122.820 -0.208 0.000 1.884 108 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 108 A C 2.394 179.686 177.584 -0.486 0.000 1.197 108 A CA 1.885 53.672 52.037 -0.416 0.000 0.637 108 A CB -0.559 18.299 19.000 -0.236 0.000 0.827 108 A HN 0.392 nan 8.150 nan 0.000 0.450 109 I N -1.219 119.340 120.570 -0.018 0.000 2.361 109 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 109 I C 2.133 178.323 176.117 0.121 0.000 1.133 109 I CA 1.158 62.579 61.300 0.202 0.000 1.413 109 I CB -0.043 38.096 38.000 0.231 0.000 1.073 109 I HN 0.365 nan 8.210 nan 0.000 0.424 110 L N -1.444 119.785 121.223 0.009 0.000 2.416 110 L HA -0.082 4.258 4.340 -0.000 0.000 0.216 110 L C 2.222 179.081 176.870 -0.019 0.000 1.098 110 L CA 0.379 55.231 54.840 0.019 0.000 0.840 110 L CB -0.045 42.018 42.059 0.006 0.000 0.981 110 L HN 0.249 nan 8.230 nan 0.000 0.462 111 C N -0.629 118.585 119.300 -0.142 0.000 2.456 111 C HA -0.068 4.392 4.460 -0.000 0.000 0.279 111 C C 2.250 177.203 174.990 -0.061 0.000 1.427 111 C CA 0.287 59.207 59.018 -0.163 0.000 1.778 111 C CB -1.021 26.536 27.740 -0.304 0.000 1.842 111 C HN 0.486 nan 8.230 nan 0.000 0.531 112 F N -0.193 119.804 119.950 0.078 0.000 2.664 112 F HA 0.117 4.644 4.527 0.000 0.000 0.296 112 F C 1.873 177.745 175.800 0.121 0.000 1.125 112 F CA 0.234 58.301 58.000 0.112 0.000 1.444 112 F CB -0.905 38.145 39.000 0.083 0.000 1.114 112 F HN 0.085 nan 8.300 nan 0.000 0.576 113 L N 0.256 121.622 121.223 0.238 0.000 2.275 113 L HA 0.020 4.360 4.340 -0.000 0.000 0.215 113 L C 2.112 179.071 176.870 0.148 0.000 1.119 113 L CA 1.504 56.443 54.840 0.164 0.000 0.790 113 L CB -0.925 41.200 42.059 0.110 0.000 0.919 113 L HN 0.031 nan 8.230 nan 0.000 0.443 114 A N -1.423 121.493 122.820 0.161 0.000 1.861 114 A HA -0.176 4.144 4.320 -0.000 0.000 0.212 114 A C 2.196 179.894 177.584 0.190 0.000 1.199 114 A CA 1.146 53.272 52.037 0.148 0.000 0.613 114 A CB -1.115 17.959 19.000 0.122 0.000 0.846 114 A HN 0.497 nan 8.150 nan 0.000 0.446 115 Y N 1.090 121.482 120.300 0.153 0.000 2.421 115 Y HA -0.011 4.539 4.550 -0.000 0.000 0.292 115 Y C 2.280 178.252 175.900 0.120 0.000 1.136 115 Y CA 0.942 59.136 58.100 0.156 0.000 1.255 115 Y CB -0.260 38.341 38.460 0.235 0.000 0.991 115 Y HN 0.277 nan 8.280 nan 0.000 0.552 116 G N 0.009 108.944 108.800 0.225 0.000 2.404 116 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.213 116 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.213 116 G C 1.491 176.423 174.900 0.052 0.000 1.189 116 G CA 0.844 46.022 45.100 0.130 0.000 0.796 116 G HN 0.309 nan 8.290 nan 0.000 0.532 117 I N 0.839 121.446 120.570 0.063 0.000 2.394 117 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 117 I C 2.677 178.799 176.117 0.009 0.000 1.136 117 I CA 0.943 62.267 61.300 0.041 0.000 1.425 117 I CB -1.026 37.008 38.000 0.058 0.000 1.079 117 I HN 0.316 nan 8.210 nan 0.000 0.425 118 Q N 0.858 120.649 119.800 -0.015 0.000 1.946 118 Q HA -0.019 4.321 4.340 -0.000 0.000 0.199 118 Q C 2.187 178.107 176.000 -0.134 0.000 0.979 118 Q CA 1.565 57.330 55.803 -0.063 0.000 0.834 118 Q CB -0.295 28.399 28.738 -0.074 0.000 0.899 118 Q HN 0.464 nan 8.270 nan 0.000 0.431 119 A N 0.220 122.869 122.820 -0.285 0.000 2.277 119 A HA 0.025 4.345 4.320 -0.000 0.000 0.208 119 A C 1.502 179.009 177.584 -0.129 0.000 1.202 119 A CA 1.292 53.148 52.037 -0.302 0.000 0.762 119 A CB -0.479 18.176 19.000 -0.575 0.000 0.770 119 A HN 0.413 nan 8.150 nan 0.000 0.487 120 A N -1.626 121.149 122.820 -0.075 0.000 2.106 120 A HA 0.242 4.562 4.320 -0.000 0.000 0.218 120 A C 2.120 179.691 177.584 -0.022 0.000 1.718 120 A CA 1.335 53.353 52.037 -0.031 0.000 0.768 120 A CB -0.661 18.334 19.000 -0.007 0.000 1.321 120 A HN 0.319 nan 8.150 nan 0.000 0.567 121 T N 0.522 115.069 114.554 -0.012 0.000 2.770 121 T HA 0.031 4.381 4.350 -0.000 0.000 0.258 121 T C 0.268 174.963 174.700 -0.008 0.000 1.039 121 T CA 1.036 63.133 62.100 -0.004 0.000 1.143 121 T CB -0.133 68.740 68.868 0.008 0.000 0.866 121 T HN 0.331 nan 8.240 nan 0.000 0.428 122 E N 2.419 122.615 120.200 -0.007 0.000 2.751 122 E HA 0.219 4.569 4.350 -0.000 0.000 0.219 122 E C -1.208 175.382 176.600 -0.017 0.000 1.060 122 E CA -0.318 56.083 56.400 0.001 0.000 0.893 122 E CB 0.604 30.322 29.700 0.030 0.000 1.300 122 E HN 0.353 nan 8.360 nan 0.000 0.433 123 D N 2.754 123.136 120.400 -0.031 0.000 2.389 123 D HA -0.085 4.555 4.640 -0.000 0.000 0.278 123 D C -0.312 175.970 176.300 -0.029 0.000 1.398 123 D CA 0.438 54.406 54.000 -0.053 0.000 1.090 123 D CB 0.373 41.149 40.800 -0.041 0.000 1.108 123 D HN 0.033 nan 8.370 nan 0.000 0.532 124 E N 5.507 125.683 120.200 -0.039 0.000 2.001 124 E HA 0.181 4.531 4.350 -0.000 0.000 0.279 124 E C -1.978 174.623 176.600 0.001 0.000 1.045 124 E CA -1.930 54.472 56.400 0.003 0.000 0.833 124 E CB 0.468 30.185 29.700 0.027 0.000 1.077 124 E HN 0.486 nan 8.360 nan 0.000 0.397 125 P HA 0.195 nan 4.420 nan 0.000 0.267 125 P C -0.851 176.481 177.300 0.053 0.000 1.328 125 P CA 0.160 63.280 63.100 0.034 0.000 0.990 125 P CB 0.487 32.204 31.700 0.028 0.000 1.168 126 A N 3.642 126.517 122.820 0.093 0.000 2.586 126 A HA 0.383 4.703 4.320 -0.000 0.000 0.291 126 A C 0.146 177.815 177.584 0.141 0.000 1.062 126 A CA -0.688 51.398 52.037 0.082 0.000 0.666 126 A CB 0.568 19.609 19.000 0.068 0.000 1.281 126 A HN 0.297 nan 8.150 nan 0.000 0.421 127 N N 0.240 118.944 118.700 0.007 0.000 2.314 127 N HA 0.056 4.796 4.740 -0.000 0.000 0.200 127 N C 0.252 175.789 175.510 0.045 0.000 1.135 127 N CA 0.536 53.557 53.050 -0.050 0.000 0.835 127 N CB 0.176 38.356 38.487 -0.512 0.000 0.989 127 N HN 0.694 nan 8.380 nan 0.000 0.478 128 D N 1.173 121.623 120.400 0.082 0.000 2.286 128 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 128 D C 1.308 177.671 176.300 0.105 0.000 1.015 128 D CA 1.452 55.500 54.000 0.080 0.000 0.871 128 D CB 0.041 40.896 40.800 0.092 0.000 1.044 128 D HN 0.198 nan 8.370 nan 0.000 0.459 129 N N -0.367 118.434 118.700 0.169 0.000 2.422 129 N HA 0.000 4.740 4.740 -0.000 0.000 0.181 129 N C 1.595 177.179 175.510 0.124 0.000 1.080 129 N CA -0.015 53.113 53.050 0.131 0.000 0.893 129 N CB 0.220 38.805 38.487 0.164 0.000 0.973 129 N HN 0.118 nan 8.380 nan 0.000 0.456 130 L N 0.327 121.633 121.223 0.139 0.000 1.961 130 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 130 L C 1.897 178.864 176.870 0.161 0.000 1.075 130 L CA 1.636 56.489 54.840 0.022 0.000 0.749 130 L CB -0.893 40.894 42.059 -0.454 0.000 0.890 130 L HN -0.041 nan 8.230 nan 0.000 0.433 131 Y N -0.693 119.584 120.300 -0.039 0.000 2.256 131 Y HA -0.250 4.300 4.550 -0.000 0.000 0.288 131 Y C 2.284 178.145 175.900 -0.066 0.000 1.155 131 Y CA 1.661 59.738 58.100 -0.038 0.000 1.203 131 Y CB -0.659 37.778 38.460 -0.038 0.000 0.980 131 Y HN 0.322 nan 8.280 nan 0.000 0.530 132 L N -0.109 121.152 121.223 0.064 0.000 1.970 132 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 132 L C 2.445 179.217 176.870 -0.162 0.000 1.071 132 L CA 2.448 57.255 54.840 -0.054 0.000 0.751 132 L CB -1.420 40.603 42.059 -0.060 0.000 0.889 132 L HN 0.165 nan 8.230 nan 0.000 0.432 133 G N -0.694 107.945 108.800 -0.269 0.000 2.469 133 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 133 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 133 G C 1.538 176.219 174.900 -0.364 0.000 1.150 133 G CA 1.352 46.097 45.100 -0.592 0.000 0.763 133 G HN 0.385 nan 8.290 nan 0.000 0.561 134 V N 0.528 120.369 119.914 -0.123 0.000 2.233 134 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 134 V C 3.021 179.024 176.094 -0.152 0.000 1.050 134 V CA 1.738 64.001 62.300 -0.062 0.000 1.010 134 V CB -0.800 30.932 31.823 -0.152 0.000 0.637 134 V HN 0.258 nan 8.190 nan 0.000 0.444 135 V N 0.301 120.114 119.914 -0.169 0.000 2.250 135 V HA -0.362 3.758 4.120 -0.000 0.000 0.253 135 V C 2.365 178.348 176.094 -0.186 0.000 1.065 135 V CA 2.629 64.833 62.300 -0.160 0.000 1.039 135 V CB -0.826 30.922 31.823 -0.126 0.000 0.647 135 V HN 0.502 nan 8.190 nan 0.000 0.446 136 L N 0.940 122.037 121.223 -0.210 0.000 2.034 136 L HA -0.279 4.061 4.340 -0.000 0.000 0.217 136 L C 2.654 179.312 176.870 -0.353 0.000 1.077 136 L CA 2.346 57.034 54.840 -0.252 0.000 0.769 136 L CB -1.297 40.607 42.059 -0.258 0.000 0.890 136 L HN 0.598 nan 8.230 nan 0.000 0.435 137 S N -1.236 114.233 115.700 -0.384 0.000 2.345 137 S HA -0.128 4.342 4.470 -0.000 0.000 0.219 137 S C 1.849 176.151 174.600 -0.497 0.000 1.031 137 S CA 1.406 59.233 58.200 -0.622 0.000 0.984 137 S CB -0.984 61.981 63.200 -0.391 0.000 0.874 137 S HN 0.402 nan 8.310 nan 0.000 0.451 138 T N 2.014 116.407 114.554 -0.268 0.000 3.113 138 T HA 0.131 4.481 4.350 -0.000 0.000 0.263 138 T C 1.654 176.255 174.700 -0.165 0.000 1.143 138 T CA 0.623 62.616 62.100 -0.178 0.000 1.090 138 T CB -0.423 68.370 68.868 -0.124 0.000 0.922 138 T HN 0.217 nan 8.240 nan 0.000 0.521 139 V N 1.210 121.005 119.914 -0.198 0.000 2.490 139 V HA -0.147 3.973 4.120 -0.000 0.000 0.250 139 V C 2.528 178.538 176.094 -0.140 0.000 1.061 139 V CA 1.336 63.548 62.300 -0.147 0.000 1.064 139 V CB -0.436 31.295 31.823 -0.152 0.000 0.670 139 V HN 0.396 nan 8.190 nan 0.000 0.461 140 V N -0.456 119.313 119.914 -0.242 0.000 2.379 140 V HA -0.133 3.987 4.120 -0.000 0.000 0.243 140 V C 2.282 178.300 176.094 -0.127 0.000 1.035 140 V CA 1.223 63.396 62.300 -0.211 0.000 1.035 140 V CB -0.485 31.107 31.823 -0.386 0.000 0.673 140 V HN 0.331 nan 8.190 nan 0.000 0.457 141 I N 1.600 122.107 120.570 -0.105 0.000 2.118 141 I HA -0.220 3.950 4.170 -0.000 0.000 0.241 141 I C 2.700 178.856 176.117 0.065 0.000 1.070 141 I CA 2.349 63.663 61.300 0.022 0.000 1.327 141 I CB -1.533 36.488 38.000 0.036 0.000 1.034 141 I HN 0.410 nan 8.210 nan 0.000 0.405 142 V N -1.624 118.278 119.914 -0.019 0.000 2.548 142 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 142 V C 2.306 178.315 176.094 -0.141 0.000 1.055 142 V CA 1.931 64.190 62.300 -0.068 0.000 1.065 142 V CB -1.592 30.177 31.823 -0.090 0.000 0.681 142 V HN 0.319 nan 8.190 nan 0.000 0.462 143 T N 1.349 115.861 114.554 -0.069 0.000 2.915 143 T HA 0.034 4.384 4.350 -0.000 0.000 0.269 143 T C 1.939 176.651 174.700 0.020 0.000 1.071 143 T CA 1.422 63.529 62.100 0.011 0.000 1.132 143 T CB -0.737 68.195 68.868 0.106 0.000 0.878 143 T HN 0.717 nan 8.240 nan 0.000 0.479 144 G N 0.717 109.496 108.800 -0.033 0.000 2.507 144 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.221 144 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.221 144 G C 1.630 176.615 174.900 0.142 0.000 1.119 144 G CA 1.128 46.137 45.100 -0.151 0.000 0.751 144 G HN 0.582 nan 8.290 nan 0.000 0.574 145 C N -0.073 119.338 119.300 0.185 0.000 2.522 145 C HA 0.278 4.738 4.460 -0.000 0.000 0.271 145 C C 2.121 177.215 174.990 0.172 0.000 1.425 145 C CA -0.332 58.806 59.018 0.199 0.000 1.751 145 C CB -1.269 26.441 27.740 -0.050 0.000 1.775 145 C HN 0.355 nan 8.230 nan 0.000 0.557 146 F N 1.928 122.012 119.950 0.223 0.000 2.317 146 F HA 0.001 4.528 4.527 0.000 0.000 0.293 146 F C 2.610 178.541 175.800 0.218 0.000 1.085 146 F CA 1.392 59.528 58.000 0.228 0.000 1.390 146 F CB -0.792 38.300 39.000 0.155 0.000 1.077 146 F HN 0.230 nan 8.300 nan 0.000 0.517 147 S N -1.926 113.987 115.700 0.354 0.000 2.503 147 S HA -0.095 4.375 4.470 -0.000 0.000 0.217 147 S C 1.564 176.315 174.600 0.252 0.000 0.999 147 S CA 0.071 58.411 58.200 0.234 0.000 0.914 147 S CB -0.981 62.311 63.200 0.152 0.000 0.782 147 S HN 0.377 nan 8.310 nan 0.000 0.520 148 Y N 0.730 121.145 120.300 0.192 0.000 2.502 148 Y HA 0.288 4.838 4.550 -0.000 0.000 0.295 148 Y C 1.417 177.499 175.900 0.303 0.000 1.193 148 Y CA -0.377 57.864 58.100 0.234 0.000 1.295 148 Y CB -0.134 38.529 38.460 0.338 0.000 1.059 148 Y HN 0.367 nan 8.280 nan 0.000 0.514 149 Y N -0.195 120.176 120.300 0.119 0.000 2.535 149 Y HA 0.125 4.675 4.550 -0.000 0.000 0.266 149 Y C 2.131 178.050 175.900 0.031 0.000 1.088 149 Y CA 0.873 59.011 58.100 0.064 0.000 1.285 149 Y CB -0.197 38.375 38.460 0.187 0.000 1.166 149 Y HN 0.212 nan 8.280 nan 0.000 0.525 150 Q N 0.377 120.237 119.800 0.101 0.000 2.245 150 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 150 Q C -0.073 175.911 176.000 -0.026 0.000 0.955 150 Q CA 1.171 56.967 55.803 -0.012 0.000 0.870 150 Q CB 0.278 29.039 28.738 0.039 0.000 0.945 150 Q HN 0.448 nan 8.270 nan 0.000 0.461 151 E N 0.008 120.208 120.200 -0.000 0.000 3.646 151 E HA 0.339 4.689 4.350 -0.000 0.000 0.211 151 E C -1.132 175.435 176.600 -0.054 0.000 1.034 151 E CA -0.425 55.970 56.400 -0.009 0.000 1.341 151 E CB 1.274 30.996 29.700 0.036 0.000 1.202 151 E HN 0.224 nan 8.360 nan 0.000 0.447 152 A N 1.585 124.343 122.820 -0.104 0.000 2.287 152 A HA 0.500 4.820 4.320 -0.000 0.000 0.273 152 A C 0.037 177.583 177.584 -0.063 0.000 1.091 152 A CA -0.215 51.733 52.037 -0.147 0.000 0.817 152 A CB 0.671 19.582 19.000 -0.148 0.000 1.069 152 A HN 0.144 nan 8.150 nan 0.000 0.492 153 K N 0.892 121.269 120.400 -0.039 0.000 2.652 153 K HA 0.236 4.556 4.320 -0.000 0.000 0.249 153 K C -1.085 175.520 176.600 0.008 0.000 0.986 153 K CA -0.133 56.151 56.287 -0.006 0.000 0.867 153 K CB 1.814 34.322 32.500 0.013 0.000 1.201 153 K HN 0.562 nan 8.250 nan 0.000 0.450 154 S N 2.194 117.898 115.700 0.007 0.000 3.483 154 S HA 0.081 4.551 4.470 -0.000 0.000 0.274 154 S C -0.105 174.508 174.600 0.022 0.000 1.289 154 S CA -0.527 57.683 58.200 0.016 0.000 0.938 154 S CB -0.377 62.830 63.200 0.011 0.000 1.453 154 S HN 0.473 nan 8.310 nan 0.000 0.494 155 S N 4.823 120.542 115.700 0.031 0.000 2.665 155 S HA 0.451 4.921 4.470 -0.000 0.000 0.230 155 S C 0.123 174.749 174.600 0.045 0.000 1.326 155 S CA -0.936 57.286 58.200 0.037 0.000 1.055 155 S CB 0.402 63.625 63.200 0.038 0.000 1.178 155 S HN 0.703 nan 8.310 nan 0.000 0.489 156 R N 1.401 121.929 120.500 0.046 0.000 2.700 156 R HA 0.319 4.659 4.340 -0.000 0.000 0.399 156 R C 0.694 177.037 176.300 0.072 0.000 1.115 156 R CA -0.386 55.746 56.100 0.053 0.000 1.058 156 R CB -0.039 30.285 30.300 0.039 0.000 1.389 156 R HN 0.429 nan 8.270 nan 0.000 0.582 157 I N 0.707 121.334 120.570 0.094 0.000 2.069 157 I HA -0.316 3.854 4.170 -0.000 0.000 0.237 157 I C 2.295 178.566 176.117 0.257 0.000 1.053 157 I CA 1.774 63.172 61.300 0.164 0.000 1.311 157 I CB -0.608 37.501 38.000 0.181 0.000 1.030 157 I HN 0.296 nan 8.210 nan 0.000 0.398 158 M N 1.001 120.723 119.600 0.204 0.000 2.202 158 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 158 M C 1.744 178.160 176.300 0.193 0.000 1.063 158 M CA 1.732 57.151 55.300 0.199 0.000 1.097 158 M CB -0.721 31.932 32.600 0.088 0.000 1.382 158 M HN 0.182 nan 8.290 nan 0.000 0.413 159 D N -1.281 119.197 120.400 0.131 0.000 2.183 159 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 159 D C 1.942 178.297 176.300 0.092 0.000 0.969 159 D CA 1.287 55.346 54.000 0.098 0.000 0.842 159 D CB 0.094 40.932 40.800 0.064 0.000 0.957 159 D HN 0.430 nan 8.370 nan 0.000 0.484 160 S N -0.536 115.214 115.700 0.083 0.000 2.371 160 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 160 S C 1.826 176.420 174.600 -0.010 0.000 1.029 160 S CA 0.583 58.785 58.200 0.002 0.000 0.978 160 S CB -0.214 62.948 63.200 -0.064 0.000 0.833 160 S HN 0.092 nan 8.310 nan 0.000 0.466 161 F N 1.866 121.841 119.950 0.043 0.000 2.102 161 F HA 0.024 4.551 4.527 0.000 0.000 0.298 161 F C 2.381 178.258 175.800 0.128 0.000 1.105 161 F CA 1.369 59.416 58.000 0.078 0.000 1.239 161 F CB -0.246 38.816 39.000 0.103 0.000 0.991 161 F HN 0.134 nan 8.300 nan 0.000 0.474 162 K N -0.087 120.492 120.400 0.298 0.000 2.152 162 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 162 K C 1.651 178.345 176.600 0.155 0.000 1.048 162 K CA 1.307 57.720 56.287 0.210 0.000 0.933 162 K CB -0.310 32.269 32.500 0.132 0.000 0.721 162 K HN 0.192 nan 8.250 nan 0.000 0.447 163 N N 0.804 119.567 118.700 0.104 0.000 2.272 163 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 163 N C 1.451 176.994 175.510 0.055 0.000 1.014 163 N CA 1.219 54.303 53.050 0.057 0.000 0.870 163 N CB -0.067 38.431 38.487 0.018 0.000 0.975 163 N HN 0.275 nan 8.380 nan 0.000 0.433 164 M N 0.003 119.644 119.600 0.068 0.000 2.562 164 M HA 0.041 4.521 4.480 -0.000 0.000 0.257 164 M C 0.571 176.934 176.300 0.104 0.000 1.099 164 M CA 0.158 55.463 55.300 0.009 0.000 1.099 164 M CB 0.365 32.889 32.600 -0.128 0.000 1.427 164 M HN -0.129 nan 8.290 nan 0.000 0.489 165 V N 3.911 123.990 119.914 0.275 0.000 2.455 165 V HA 0.256 4.376 4.120 -0.000 0.000 0.273 165 V C -1.953 174.224 176.094 0.139 0.000 1.045 165 V CA -2.007 60.482 62.300 0.315 0.000 0.976 165 V CB 0.556 32.568 31.823 0.315 0.000 0.993 165 V HN 0.056 nan 8.190 nan 0.000 0.475 166 P HA 0.066 nan 4.420 nan 0.000 0.270 166 P C -0.006 177.310 177.300 0.025 0.000 1.223 166 P CA 0.069 63.201 63.100 0.052 0.000 0.785 166 P CB 0.920 32.648 31.700 0.047 0.000 0.923 167 Q N 0.133 119.935 119.800 0.004 0.000 2.172 167 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 167 Q C 0.552 176.523 176.000 -0.049 0.000 0.964 167 Q CA 1.575 57.363 55.803 -0.025 0.000 0.855 167 Q CB 0.278 29.002 28.738 -0.023 0.000 0.918 167 Q HN 0.483 nan 8.270 nan 0.000 0.444 168 Q N -1.413 118.371 119.800 -0.026 0.000 2.456 168 Q HA 0.738 5.078 4.340 -0.000 0.000 0.283 168 Q C -1.712 174.285 176.000 -0.005 0.000 1.084 168 Q CA -0.730 55.054 55.803 -0.030 0.000 0.801 168 Q CB 2.336 31.061 28.738 -0.022 0.000 1.434 168 Q HN 0.169 nan 8.270 nan 0.000 0.419 169 A N 1.126 123.946 122.820 -0.000 0.000 2.413 169 A HA 0.716 5.036 4.320 -0.000 0.000 0.307 169 A C -1.729 175.869 177.584 0.023 0.000 1.087 169 A CA -0.574 51.473 52.037 0.017 0.000 0.750 169 A CB 1.272 20.285 19.000 0.022 0.000 1.296 169 A HN 0.542 nan 8.150 nan 0.000 0.423 170 L N 2.523 123.761 121.223 0.025 0.000 2.264 170 L HA 0.588 4.928 4.340 -0.000 0.000 0.287 170 L C -0.071 176.816 176.870 0.028 0.000 1.039 170 L CA -0.192 54.664 54.840 0.026 0.000 0.829 170 L CB 1.039 43.113 42.059 0.024 0.000 1.211 170 L HN 0.772 nan 8.230 nan 0.000 0.427 171 V N 3.306 123.239 119.914 0.032 0.000 3.096 171 V HA 0.662 4.782 4.120 -0.000 0.000 0.319 171 V C -0.280 175.832 176.094 0.030 0.000 1.103 171 V CA -0.819 61.500 62.300 0.032 0.000 1.016 171 V CB 2.129 33.974 31.823 0.037 0.000 1.090 171 V HN 0.461 nan 8.190 nan 0.000 0.449 172 I N 1.888 122.476 120.570 0.029 0.000 2.362 172 I HA 0.653 4.823 4.170 -0.000 0.000 0.289 172 I C -0.065 176.069 176.117 0.028 0.000 0.994 172 I CA -0.384 60.933 61.300 0.028 0.000 1.158 172 I CB 1.089 39.105 38.000 0.027 0.000 1.315 172 I HN 0.772 nan 8.210 nan 0.000 0.451 173 R N 3.932 124.447 120.500 0.025 0.000 2.628 173 R HA 0.359 4.699 4.340 -0.000 0.000 0.288 173 R C -0.983 175.328 176.300 0.017 0.000 0.980 173 R CA -0.779 55.335 56.100 0.023 0.000 0.891 173 R CB 1.590 31.903 30.300 0.023 0.000 1.188 173 R HN 0.543 nan 8.270 nan 0.000 0.450 174 D N 1.934 122.342 120.400 0.015 0.000 2.689 174 D HA -0.178 4.462 4.640 -0.000 0.000 0.237 174 D C 0.974 177.280 176.300 0.009 0.000 1.148 174 D CA 1.972 55.978 54.000 0.010 0.000 0.656 174 D CB -1.045 39.759 40.800 0.008 0.000 1.050 174 D HN 1.024 nan 8.370 nan 0.000 0.426 175 G N -0.978 107.828 108.800 0.011 0.000 2.196 175 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.268 175 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.268 175 G C 0.244 175.150 174.900 0.010 0.000 0.975 175 G CA 0.909 46.014 45.100 0.008 0.000 0.648 175 G HN 0.603 nan 8.290 nan 0.000 0.538 176 E N 0.527 120.734 120.200 0.012 0.000 2.212 176 E HA 0.610 4.960 4.350 -0.000 0.000 0.268 176 E C 0.271 176.881 176.600 0.017 0.000 0.902 176 E CA -0.987 55.421 56.400 0.013 0.000 0.779 176 E CB 0.697 30.404 29.700 0.011 0.000 1.172 176 E HN 0.505 nan 8.360 nan 0.000 0.409 177 K N 1.415 121.825 120.400 0.017 0.000 2.143 177 K HA 0.706 5.026 4.320 -0.000 0.000 0.272 177 K C -0.878 175.735 176.600 0.023 0.000 1.001 177 K CA -0.633 55.666 56.287 0.021 0.000 0.915 177 K CB 1.191 33.702 32.500 0.020 0.000 1.047 177 K HN 0.435 nan 8.250 nan 0.000 0.458 178 S N 0.178 115.894 115.700 0.028 0.000 2.550 178 S HA 0.323 4.793 4.470 -0.000 0.000 0.270 178 S C -0.607 174.014 174.600 0.036 0.000 1.145 178 S CA -1.012 57.207 58.200 0.031 0.000 0.852 178 S CB 1.179 64.400 63.200 0.035 0.000 1.119 178 S HN 0.772 nan 8.310 nan 0.000 0.465 179 T N -0.001 114.573 114.554 0.034 0.000 2.889 179 T HA 0.724 5.074 4.350 -0.000 0.000 0.291 179 T C 0.202 174.929 174.700 0.046 0.000 0.995 179 T CA -0.714 61.406 62.100 0.032 0.000 1.092 179 T CB 0.088 68.969 68.868 0.021 0.000 0.954 179 T HN 1.173 nan 8.240 nan 0.000 0.506 180 I N -0.646 119.950 120.570 0.044 0.000 2.969 180 I HA 0.585 4.755 4.170 -0.000 0.000 0.307 180 I C -0.485 175.604 176.117 -0.047 0.000 1.149 180 I CA -1.451 59.890 61.300 0.069 0.000 1.008 180 I CB 2.081 40.182 38.000 0.167 0.000 1.232 180 I HN 0.528 nan 8.210 nan 0.000 0.435 181 N N 3.144 121.720 118.700 -0.207 0.000 2.301 181 N HA -0.009 4.731 4.740 -0.000 0.000 0.267 181 N C 1.028 176.305 175.510 -0.388 0.000 1.304 181 N CA 1.073 53.828 53.050 -0.492 0.000 0.851 181 N CB 1.370 39.154 38.487 -1.172 0.000 1.070 181 N HN 0.848 nan 8.380 nan 0.000 0.483 182 A N 4.394 127.089 122.820 -0.207 0.000 2.076 182 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 182 A C 1.799 179.328 177.584 -0.092 0.000 1.160 182 A CA 1.425 53.404 52.037 -0.096 0.000 0.653 182 A CB -0.401 18.575 19.000 -0.040 0.000 0.801 182 A HN 0.879 nan 8.150 nan 0.000 0.455 183 E N -0.762 119.326 120.200 -0.187 0.000 2.153 183 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 183 E C 1.277 177.938 176.600 0.102 0.000 0.988 183 E CA 0.961 57.310 56.400 -0.085 0.000 0.811 183 E CB -0.312 29.312 29.700 -0.126 0.000 0.746 183 E HN 0.873 nan 8.360 nan 0.000 0.466 184 F N 1.051 120.998 119.950 -0.005 0.000 2.699 184 F HA -0.012 4.515 4.527 0.000 0.000 0.298 184 F C 0.908 176.702 175.800 -0.009 0.000 1.154 184 F CA -0.624 57.373 58.000 -0.005 0.000 1.457 184 F CB 0.286 39.286 39.000 -0.000 0.000 1.106 184 F HN -0.210 nan 8.300 nan 0.000 0.585 185 V N 2.608 122.611 119.914 0.148 0.000 2.585 185 V HA 0.094 4.214 4.120 -0.000 0.000 0.296 185 V C 0.290 176.410 176.094 0.043 0.000 1.035 185 V CA -0.515 61.828 62.300 0.072 0.000 1.084 185 V CB 0.901 32.743 31.823 0.032 0.000 0.953 185 V HN 0.052 nan 8.190 nan 0.000 0.483 186 V N 2.259 122.182 119.914 0.016 0.000 3.001 186 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 186 V C 0.199 176.252 176.094 -0.067 0.000 1.099 186 V CA -1.165 61.130 62.300 -0.009 0.000 0.989 186 V CB 1.628 33.455 31.823 0.006 0.000 1.040 186 V HN 1.075 nan 8.190 nan 0.000 0.434 187 A N 1.558 124.319 122.820 -0.099 0.000 2.566 187 A HA 0.548 4.868 4.320 -0.000 0.000 0.245 187 A C 1.501 178.931 177.584 -0.257 0.000 1.056 187 A CA 1.054 52.934 52.037 -0.261 0.000 0.757 187 A CB -0.737 18.122 19.000 -0.235 0.000 0.979 187 A HN 2.831 nan 8.150 nan 0.000 0.508 188 G N 2.467 111.026 108.800 -0.401 0.000 2.561 188 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.203 188 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.203 188 G C 0.065 174.910 174.900 -0.093 0.000 1.101 188 G CA 0.489 45.478 45.100 -0.186 0.000 0.711 188 G HN 1.307 nan 8.290 nan 0.000 0.511 189 D N 1.416 121.777 120.400 -0.066 0.000 2.371 189 D HA 0.502 5.142 4.640 -0.000 0.000 0.242 189 D C 0.256 176.547 176.300 -0.015 0.000 1.218 189 D CA -0.633 53.359 54.000 -0.014 0.000 0.945 189 D CB 0.771 41.574 40.800 0.004 0.000 1.137 189 D HN 0.352 nan 8.370 nan 0.000 0.464 190 L N 0.886 122.121 121.223 0.020 0.000 2.290 190 L HA 0.341 4.681 4.340 -0.000 0.000 0.284 190 L C -0.755 176.125 176.870 0.018 0.000 1.078 190 L CA -0.425 54.432 54.840 0.028 0.000 0.815 190 L CB 1.151 43.241 42.059 0.052 0.000 1.162 190 L HN 0.330 nan 8.230 nan 0.000 0.435 191 V N 4.564 124.484 119.914 0.010 0.000 2.555 191 V HA 0.471 4.591 4.120 -0.000 0.000 0.302 191 V C -0.306 175.800 176.094 0.019 0.000 1.038 191 V CA -0.830 61.478 62.300 0.014 0.000 0.887 191 V CB 1.888 33.715 31.823 0.007 0.000 0.991 191 V HN 0.735 nan 8.190 nan 0.000 0.434 192 E N 2.732 122.946 120.200 0.023 0.000 2.171 192 E HA 0.688 5.038 4.350 -0.000 0.000 0.271 192 E C -1.248 175.368 176.600 0.026 0.000 0.916 192 E CA -0.542 55.873 56.400 0.026 0.000 0.774 192 E CB 2.030 31.746 29.700 0.026 0.000 1.128 192 E HN 0.639 nan 8.360 nan 0.000 0.403 193 V N 1.362 121.293 119.914 0.028 0.000 2.823 193 V HA 0.741 4.861 4.120 -0.000 0.000 0.312 193 V C -0.903 175.209 176.094 0.030 0.000 1.072 193 V CA -0.857 61.460 62.300 0.028 0.000 0.937 193 V CB 1.545 33.385 31.823 0.028 0.000 1.013 193 V HN 0.761 nan 8.190 nan 0.000 0.430 194 K N 2.004 122.421 120.400 0.028 0.000 2.466 194 K HA 0.813 5.133 4.320 -0.000 0.000 0.260 194 K C 0.217 176.831 176.600 0.023 0.000 1.011 194 K CA -0.454 55.851 56.287 0.029 0.000 0.871 194 K CB 1.743 34.262 32.500 0.030 0.000 1.404 194 K HN 1.249 nan 8.250 nan 0.000 0.450 195 G N -0.522 108.290 108.800 0.021 0.000 2.224 195 G HA2 0.267 4.227 3.960 -0.000 0.000 0.239 195 G HA3 0.267 4.227 3.960 -0.000 0.000 0.239 195 G C 0.929 175.836 174.900 0.013 0.000 1.240 195 G CA 0.533 45.642 45.100 0.015 0.000 0.896 195 G HN 1.221 nan 8.290 nan 0.000 0.496 196 G N 2.186 110.991 108.800 0.009 0.000 2.308 196 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 196 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 196 G C 0.340 175.244 174.900 0.008 0.000 1.032 196 G CA 0.862 45.966 45.100 0.007 0.000 0.623 196 G HN 1.265 nan 8.290 nan 0.000 0.506 197 D N 0.058 120.466 120.400 0.012 0.000 2.437 197 D HA 0.683 5.323 4.640 -0.000 0.000 0.259 197 D C 0.418 176.727 176.300 0.016 0.000 1.118 197 D CA -0.825 53.184 54.000 0.015 0.000 1.017 197 D CB 0.619 41.431 40.800 0.019 0.000 1.120 197 D HN 0.440 nan 8.370 nan 0.000 0.541 198 R N 0.058 120.571 120.500 0.021 0.000 2.474 198 R HA 0.355 4.695 4.340 -0.000 0.000 0.295 198 R C -0.368 175.961 176.300 0.048 0.000 0.980 198 R CA -1.066 55.048 56.100 0.023 0.000 0.934 198 R CB 1.103 31.418 30.300 0.024 0.000 1.101 198 R HN 0.461 nan 8.270 nan 0.000 0.469 199 I N 5.028 125.630 120.570 0.053 0.000 2.581 199 I HA 0.026 4.196 4.170 -0.000 0.000 0.285 199 I C -1.460 174.757 176.117 0.168 0.000 1.129 199 I CA -2.264 59.090 61.300 0.090 0.000 1.397 199 I CB 0.341 38.396 38.000 0.092 0.000 1.399 199 I HN 0.401 nan 8.210 nan 0.000 0.537 200 P HA 0.089 nan 4.420 nan 0.000 0.227 200 P C 0.168 177.585 177.300 0.195 0.000 1.161 200 P CA 0.780 63.979 63.100 0.165 0.000 0.788 200 P CB 0.679 32.428 31.700 0.082 0.000 0.822 201 A N -1.288 121.642 122.820 0.183 0.000 2.540 201 A HA 0.450 4.770 4.320 -0.000 0.000 0.291 201 A C -1.633 176.044 177.584 0.155 0.000 1.083 201 A CA -0.659 51.462 52.037 0.140 0.000 0.650 201 A CB 0.064 19.081 19.000 0.029 0.000 1.292 201 A HN -0.238 nan 8.150 nan 0.000 0.435 202 D N 0.996 121.486 120.400 0.150 0.000 2.417 202 D HA 0.501 5.141 4.640 -0.000 0.000 0.250 202 D C -0.450 175.821 176.300 -0.048 0.000 1.166 202 D CA 0.918 54.967 54.000 0.082 0.000 0.881 202 D CB 0.398 41.319 40.800 0.203 0.000 1.164 202 D HN 0.423 nan 8.370 nan 0.000 0.467 203 L N 1.800 122.947 121.223 -0.126 0.000 2.341 203 L HA 0.497 4.837 4.340 -0.000 0.000 0.267 203 L C 0.360 177.139 176.870 -0.152 0.000 1.009 203 L CA -1.141 53.622 54.840 -0.128 0.000 0.819 203 L CB 2.039 44.050 42.059 -0.080 0.000 1.323 203 L HN 0.014 nan 8.230 nan 0.000 0.425 204 R N 2.827 123.256 120.500 -0.118 0.000 2.198 204 R HA 0.377 4.717 4.340 -0.000 0.000 0.339 204 R C -0.660 175.615 176.300 -0.041 0.000 1.020 204 R CA -0.820 55.236 56.100 -0.073 0.000 0.864 204 R CB 0.612 30.878 30.300 -0.057 0.000 1.105 204 R HN 0.456 nan 8.270 nan 0.000 0.463 205 I N 7.564 128.122 120.570 -0.020 0.000 2.662 205 I HA -0.077 4.093 4.170 -0.000 0.000 0.285 205 I C 1.755 177.892 176.117 0.034 0.000 1.161 205 I CA 0.455 61.761 61.300 0.009 0.000 1.415 205 I CB 0.075 38.086 38.000 0.018 0.000 1.385 205 I HN 0.655 nan 8.210 nan 0.000 0.552 206 I N 1.764 122.360 120.570 0.044 0.000 4.139 206 I HA 0.276 4.446 4.170 -0.000 0.000 0.320 206 I C 0.607 176.764 176.117 0.066 0.000 1.290 206 I CA 0.202 61.544 61.300 0.070 0.000 1.253 206 I CB 0.954 39.019 38.000 0.107 0.000 1.122 206 I HN 0.465 nan 8.210 nan 0.000 0.421 207 S N 0.712 116.446 115.700 0.056 0.000 2.535 207 S HA 0.836 5.306 4.470 -0.000 0.000 0.272 207 S C -1.292 173.343 174.600 0.058 0.000 1.149 207 S CA 0.030 58.264 58.200 0.056 0.000 0.888 207 S CB 1.910 65.141 63.200 0.052 0.000 1.110 207 S HN 0.618 nan 8.310 nan 0.000 0.463 208 A N 3.217 126.080 122.820 0.072 0.000 2.577 208 A HA 0.634 4.954 4.320 -0.000 0.000 0.297 208 A C -1.651 176.012 177.584 0.132 0.000 1.060 208 A CA -0.515 51.571 52.037 0.082 0.000 0.697 208 A CB 1.299 20.331 19.000 0.054 0.000 1.281 208 A HN 0.888 nan 8.150 nan 0.000 0.402 209 H N 1.314 120.394 119.070 0.017 0.000 2.970 209 H HA 0.449 5.005 4.556 0.000 0.000 0.315 209 H C 0.890 176.227 175.328 0.015 0.000 0.992 209 H CA 0.533 56.590 56.048 0.015 0.000 1.363 209 H CB 1.036 30.806 29.762 0.013 0.000 1.532 209 H HN 1.985 nan 8.280 nan 0.000 0.514 210 G N 3.946 112.558 108.800 -0.314 0.000 2.258 210 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.274 210 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.274 210 G C 0.506 175.337 174.900 -0.115 0.000 1.021 210 G CA 0.443 45.383 45.100 -0.266 0.000 0.798 210 G HN 0.705 nan 8.290 nan 0.000 0.507 211 C N 0.261 119.529 119.300 -0.052 0.000 2.464 211 C HA 0.727 5.187 4.460 -0.000 0.000 0.370 211 C C 0.664 175.650 174.990 -0.006 0.000 1.267 211 C CA -0.680 58.331 59.018 -0.013 0.000 1.781 211 C CB -0.242 27.506 27.740 0.013 0.000 2.431 211 C HN 0.476 nan 8.230 nan 0.000 0.556 212 K N 3.405 123.802 120.400 -0.004 0.000 2.267 212 K HA 0.842 5.162 4.320 -0.000 0.000 0.246 212 K C -1.035 175.573 176.600 0.012 0.000 0.954 212 K CA -0.454 55.836 56.287 0.004 0.000 0.824 212 K CB 2.005 34.503 32.500 -0.003 0.000 1.167 212 K HN 0.532 nan 8.250 nan 0.000 0.431 213 V N 1.026 120.952 119.914 0.021 0.000 3.007 213 V HA 0.333 4.453 4.120 -0.000 0.000 0.311 213 V C -1.708 174.401 176.094 0.024 0.000 1.120 213 V CA -0.728 61.588 62.300 0.028 0.000 0.980 213 V CB 2.301 34.153 31.823 0.047 0.000 1.033 213 V HN 0.820 nan 8.190 nan 0.000 0.429 214 D N 2.865 123.275 120.400 0.017 0.000 2.373 214 D HA 0.350 4.990 4.640 -0.000 0.000 0.227 214 D C -0.157 176.146 176.300 0.005 0.000 1.091 214 D CA -0.147 53.855 54.000 0.004 0.000 0.840 214 D CB 1.017 41.811 40.800 -0.011 0.000 1.060 214 D HN 0.486 nan 8.370 nan 0.000 0.502 215 N N 1.633 120.334 118.700 0.002 0.000 2.273 215 N HA -0.041 4.699 4.740 -0.000 0.000 0.231 215 N C 1.439 176.919 175.510 -0.051 0.000 1.134 215 N CA 0.012 53.056 53.050 -0.011 0.000 0.856 215 N CB 0.584 39.075 38.487 0.007 0.000 1.068 215 N HN 0.405 nan 8.380 nan 0.000 0.510 216 S N -0.641 115.029 115.700 -0.050 0.000 2.400 216 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 216 S C 1.861 176.413 174.600 -0.079 0.000 1.025 216 S CA 1.151 59.313 58.200 -0.063 0.000 0.993 216 S CB -0.312 62.855 63.200 -0.056 0.000 0.808 216 S HN 0.137 nan 8.310 nan 0.000 0.478 217 S N 1.739 117.386 115.700 -0.088 0.000 2.442 217 S HA 0.069 4.539 4.470 -0.000 0.000 0.236 217 S C 1.459 176.005 174.600 -0.090 0.000 1.007 217 S CA 1.291 59.432 58.200 -0.098 0.000 0.965 217 S CB -0.362 62.768 63.200 -0.117 0.000 0.773 217 S HN 0.401 nan 8.310 nan 0.000 0.504 218 L N 0.527 121.681 121.223 -0.116 0.000 2.388 218 L HA 0.151 4.491 4.340 -0.000 0.000 0.209 218 L C 2.496 179.288 176.870 -0.131 0.000 1.061 218 L CA 1.237 55.985 54.840 -0.153 0.000 0.834 218 L CB -0.837 41.061 42.059 -0.268 0.000 1.029 218 L HN 0.402 nan 8.230 nan 0.000 0.473 219 T N -5.110 109.373 114.554 -0.118 0.000 3.000 219 T HA 0.363 4.713 4.350 -0.000 0.000 0.248 219 T C 1.570 176.210 174.700 -0.099 0.000 1.034 219 T CA 0.549 62.578 62.100 -0.118 0.000 1.060 219 T CB 0.496 69.290 68.868 -0.123 0.000 0.983 219 T HN 0.294 nan 8.240 nan 0.000 0.482 220 G N 1.346 110.097 108.800 -0.082 0.000 2.179 220 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.260 220 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.260 220 G C -0.251 174.613 174.900 -0.061 0.000 0.977 220 G CA 0.053 45.112 45.100 -0.068 0.000 0.641 220 G HN 0.591 nan 8.290 nan 0.000 0.533 221 E N 0.272 120.434 120.200 -0.063 0.000 2.166 221 E HA 0.574 4.924 4.350 -0.000 0.000 0.275 221 E C 1.058 177.638 176.600 -0.035 0.000 0.941 221 E CA 0.087 56.459 56.400 -0.047 0.000 0.784 221 E CB 1.531 31.201 29.700 -0.051 0.000 1.115 221 E HN 0.399 nan 8.360 nan 0.000 0.399 222 S N 1.109 116.794 115.700 -0.025 0.000 2.502 222 S HA -0.042 4.428 4.470 -0.000 0.000 0.215 222 S C 0.597 175.189 174.600 -0.013 0.000 1.009 222 S CA -0.253 57.934 58.200 -0.022 0.000 0.908 222 S CB -0.244 62.942 63.200 -0.023 0.000 0.801 222 S HN 0.503 nan 8.310 nan 0.000 0.505 223 E N 3.964 124.160 120.200 -0.007 0.000 2.480 223 E HA 0.162 4.512 4.350 -0.000 0.000 0.258 223 E C -2.300 174.301 176.600 0.003 0.000 0.984 223 E CA -1.637 54.761 56.400 -0.003 0.000 0.930 223 E CB -0.190 29.511 29.700 0.003 0.000 0.936 223 E HN 0.213 nan 8.360 nan 0.000 0.466 224 P HA -0.093 nan 4.420 nan 0.000 0.266 224 P C -0.859 176.449 177.300 0.014 0.000 1.193 224 P CA 0.420 63.523 63.100 0.004 0.000 0.770 224 P CB 0.571 32.269 31.700 -0.003 0.000 0.836 225 Q N 0.990 120.804 119.800 0.023 0.000 2.353 225 Q HA 0.306 4.646 4.340 -0.000 0.000 0.268 225 Q C -0.144 175.874 176.000 0.031 0.000 1.045 225 Q CA -0.560 55.264 55.803 0.034 0.000 0.811 225 Q CB 1.710 30.478 28.738 0.051 0.000 1.305 225 Q HN 0.348 nan 8.270 nan 0.000 0.447 226 T N 2.721 117.290 114.554 0.026 0.000 2.926 226 T HA 0.233 4.583 4.350 -0.000 0.000 0.307 226 T C 0.135 174.852 174.700 0.028 0.000 1.059 226 T CA -0.227 61.885 62.100 0.020 0.000 1.122 226 T CB 0.413 69.290 68.868 0.014 0.000 0.972 226 T HN 0.104 nan 8.240 nan 0.000 0.545 227 R N 2.108 122.622 120.500 0.024 0.000 2.437 227 R HA 0.586 4.926 4.340 -0.000 0.000 0.310 227 R C -0.244 176.072 176.300 0.027 0.000 0.955 227 R CA -0.594 55.523 56.100 0.028 0.000 0.851 227 R CB 1.659 31.975 30.300 0.025 0.000 1.161 227 R HN 0.828 nan 8.270 nan 0.000 0.446 228 S N 1.543 117.263 115.700 0.032 0.000 2.667 228 S HA 0.612 5.082 4.470 -0.000 0.000 0.292 228 S C -2.336 172.294 174.600 0.051 0.000 1.126 228 S CA -1.380 56.843 58.200 0.038 0.000 0.881 228 S CB 2.782 66.001 63.200 0.033 0.000 1.132 228 S HN 0.168 nan 8.310 nan 0.000 0.492 229 P HA 0.173 nan 4.420 nan 0.000 0.231 229 P C -0.043 177.315 177.300 0.096 0.000 1.168 229 P CA 0.411 63.554 63.100 0.071 0.000 0.779 229 P CB 0.070 31.810 31.700 0.067 0.000 0.844 230 E N 0.539 120.793 120.200 0.090 0.000 2.259 230 E HA 0.102 4.452 4.350 -0.000 0.000 0.281 230 E C -0.438 176.248 176.600 0.144 0.000 1.037 230 E CA -1.070 55.402 56.400 0.120 0.000 0.854 230 E CB 0.166 29.914 29.700 0.080 0.000 1.051 230 E HN 0.004 nan 8.360 nan 0.000 0.409 231 F N 3.725 123.714 119.950 0.066 0.000 2.602 231 F HA 0.013 4.540 4.527 0.000 0.000 0.367 231 F C 0.267 176.121 175.800 0.091 0.000 1.126 231 F CA 0.514 58.574 58.000 0.101 0.000 1.321 231 F CB 0.877 39.935 39.000 0.097 0.000 1.094 231 F HN 0.274 nan 8.300 nan 0.000 0.594 232 S N 2.125 117.370 115.700 -0.758 0.000 2.679 232 S HA 0.167 4.637 4.470 -0.000 0.000 0.258 232 S C -0.275 173.945 174.600 -0.633 0.000 1.068 232 S CA 0.160 57.965 58.200 -0.658 0.000 1.115 232 S CB 0.251 63.310 63.200 -0.236 0.000 1.078 232 S HN 0.731 nan 8.310 nan 0.000 0.603 233 S N 0.683 116.040 115.700 -0.572 0.000 2.535 233 S HA 0.253 4.723 4.470 -0.000 0.000 0.272 233 S C -0.212 174.600 174.600 0.352 0.000 1.149 233 S CA -0.542 57.591 58.200 -0.111 0.000 0.888 233 S CB 1.045 64.246 63.200 0.002 0.000 1.110 233 S HN 0.064 nan 8.310 nan 0.000 0.463 234 E N 1.841 122.321 120.200 0.467 0.000 2.333 234 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 234 E C 0.382 177.289 176.600 0.512 0.000 1.007 234 E CA 0.478 57.218 56.400 0.568 0.000 0.845 234 E CB -0.392 29.498 29.700 0.317 0.000 0.766 234 E HN 0.476 nan 8.360 nan 0.000 0.507 235 N N 2.165 121.046 118.700 0.302 0.000 2.401 235 N HA 0.025 4.765 4.740 -0.000 0.000 0.255 235 N C -1.743 173.781 175.510 0.024 0.000 1.110 235 N CA -2.072 51.080 53.050 0.170 0.000 0.949 235 N CB 1.292 39.858 38.487 0.131 0.000 1.110 235 N HN -0.225 nan 8.380 nan 0.000 0.490 236 P HA -0.149 nan 4.420 nan 0.000 0.217 236 P C 1.231 178.589 177.300 0.097 0.000 1.148 236 P CA 1.154 64.041 63.100 -0.355 0.000 0.828 236 P CB 0.356 31.966 31.700 -0.150 0.000 0.783 237 L N -0.893 120.401 121.223 0.119 0.000 2.610 237 L HA -0.007 4.333 4.340 -0.000 0.000 0.232 237 L C 2.173 179.096 176.870 0.088 0.000 1.149 237 L CA 0.885 55.769 54.840 0.073 0.000 0.872 237 L CB -0.483 41.520 42.059 -0.093 0.000 0.992 237 L HN -0.053 nan 8.230 nan 0.000 0.447 238 E N -1.255 119.003 120.200 0.098 0.000 2.399 238 E HA 0.061 4.411 4.350 -0.000 0.000 0.205 238 E C 0.960 177.611 176.600 0.085 0.000 0.906 238 E CA 0.156 56.612 56.400 0.093 0.000 0.998 238 E CB 0.416 30.171 29.700 0.092 0.000 1.002 238 E HN 0.139 nan 8.360 nan 0.000 0.501 239 T N 0.485 115.083 114.554 0.075 0.000 2.903 239 T HA 0.070 4.420 4.350 -0.000 0.000 0.314 239 T C 1.070 175.814 174.700 0.073 0.000 1.078 239 T CA 0.027 62.165 62.100 0.063 0.000 1.114 239 T CB 0.725 69.688 68.868 0.158 0.000 0.987 239 T HN -0.022 nan 8.240 nan 0.000 0.548 240 R N 1.723 122.251 120.500 0.047 0.000 2.276 240 R HA 0.062 4.402 4.340 -0.000 0.000 0.196 240 R C 1.200 177.529 176.300 0.049 0.000 0.961 240 R CA 0.537 56.665 56.100 0.046 0.000 1.024 240 R CB -0.005 30.310 30.300 0.025 0.000 0.940 240 R HN 0.667 nan 8.270 nan 0.000 0.480 241 N N 0.390 119.134 118.700 0.072 0.000 2.268 241 N HA 0.021 4.761 4.740 -0.000 0.000 0.204 241 N C -0.274 175.240 175.510 0.006 0.000 1.124 241 N CA 0.260 53.348 53.050 0.064 0.000 0.838 241 N CB 0.482 39.039 38.487 0.118 0.000 0.994 241 N HN -0.019 nan 8.380 nan 0.000 0.489 242 I N 0.940 121.474 120.570 -0.059 0.000 2.436 242 I HA 0.539 4.709 4.170 -0.000 0.000 0.289 242 I C -0.533 175.355 176.117 -0.381 0.000 1.010 242 I CA -1.377 59.763 61.300 -0.267 0.000 1.098 242 I CB 1.166 38.926 38.000 -0.400 0.000 1.266 242 I HN 0.031 nan 8.210 nan 0.000 0.434 243 A N 6.778 129.372 122.820 -0.375 0.000 2.331 243 A HA 0.819 5.139 4.320 -0.000 0.000 0.320 243 A C -1.145 176.257 177.584 -0.304 0.000 1.138 243 A CA -0.374 51.523 52.037 -0.232 0.000 0.790 243 A CB 0.638 19.601 19.000 -0.063 0.000 1.206 243 A HN 0.442 nan 8.150 nan 0.000 0.470 244 F N 1.468 121.458 119.950 0.066 0.000 2.422 244 F HA 0.469 4.996 4.527 0.000 0.000 0.333 244 F C 0.384 176.250 175.800 0.111 0.000 1.095 244 F CA -0.540 57.520 58.000 0.101 0.000 1.038 244 F CB 1.139 40.183 39.000 0.074 0.000 1.156 244 F HN 0.647 nan 8.300 nan 0.000 0.483 245 F N 2.815 122.895 119.950 0.217 0.000 2.626 245 F HA 0.203 4.730 4.527 0.000 0.000 0.354 245 F C 1.138 177.040 175.800 0.171 0.000 1.168 245 F CA 0.504 58.597 58.000 0.156 0.000 1.368 245 F CB 0.484 39.563 39.000 0.131 0.000 1.092 245 F HN 0.735 nan 8.300 nan 0.000 0.612 246 S N 0.859 115.842 115.700 -1.195 0.000 3.482 246 S HA -0.194 4.276 4.470 -0.000 0.000 0.294 246 S C -0.125 174.279 174.600 -0.327 0.000 1.244 246 S CA 0.777 58.433 58.200 -0.907 0.000 0.911 246 S CB -3.048 59.644 63.200 -0.847 0.000 1.070 246 S HN 1.882 nan 8.310 nan 0.000 0.614 247 T N -0.828 113.625 114.554 -0.168 0.000 2.887 247 T HA 0.721 5.071 4.350 -0.000 0.000 0.292 247 T C -0.978 173.705 174.700 -0.029 0.000 1.087 247 T CA -0.421 61.644 62.100 -0.058 0.000 1.009 247 T CB 1.503 70.390 68.868 0.031 0.000 1.203 247 T HN 0.956 nan 8.240 nan 0.000 0.518 248 N N -0.652 118.040 118.700 -0.013 0.000 2.352 248 N HA 0.447 5.187 4.740 -0.000 0.000 0.291 248 N C -0.644 174.871 175.510 0.009 0.000 1.040 248 N CA -0.967 52.081 53.050 -0.004 0.000 0.864 248 N CB 1.609 40.086 38.487 -0.016 0.000 1.440 248 N HN 0.868 nan 8.380 nan 0.000 0.483 249 C N 2.736 122.046 119.300 0.016 0.000 2.648 249 C HA 0.090 4.550 4.460 -0.000 0.000 0.406 249 C C 1.559 176.556 174.990 0.010 0.000 1.406 249 C CA -0.158 58.870 59.018 0.017 0.000 1.610 249 C CB -0.928 26.824 27.740 0.021 0.000 2.451 249 C HN 0.752 nan 8.230 nan 0.000 0.608 250 V N 5.385 125.304 119.914 0.007 0.000 2.825 250 V HA 0.152 4.272 4.120 -0.000 0.000 0.246 250 V C 0.920 177.015 176.094 0.001 0.000 1.068 250 V CA 1.861 64.162 62.300 0.002 0.000 1.088 250 V CB -0.269 31.553 31.823 -0.001 0.000 0.733 250 V HN 0.979 nan 8.190 nan 0.000 0.468 251 E N -2.055 118.146 120.200 0.001 0.000 2.437 251 E HA 0.523 4.873 4.350 -0.000 0.000 0.280 251 E C -0.069 176.531 176.600 -0.000 0.000 1.044 251 E CA -0.167 56.232 56.400 -0.001 0.000 0.826 251 E CB 1.657 31.351 29.700 -0.010 0.000 1.358 251 E HN 0.356 nan 8.360 nan 0.000 0.459 252 G N -0.057 108.743 108.800 0.001 0.000 2.660 252 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.215 252 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.215 252 G C -0.670 174.254 174.900 0.040 0.000 1.345 252 G CA -0.174 44.928 45.100 0.004 0.000 0.877 252 G HN 0.773 nan 8.290 nan 0.000 0.549 253 T N -0.594 113.999 114.554 0.065 0.000 2.916 253 T HA 0.897 5.247 4.350 -0.000 0.000 0.305 253 T C -0.237 174.506 174.700 0.072 0.000 1.119 253 T CA 0.985 63.129 62.100 0.075 0.000 1.008 253 T CB 1.264 70.192 68.868 0.102 0.000 1.129 253 T HN 2.334 nan 8.240 nan 0.000 0.480 254 A N 3.234 126.086 122.820 0.053 0.000 2.606 254 A HA 0.907 5.227 4.320 -0.000 0.000 0.293 254 A C -1.284 176.323 177.584 0.039 0.000 1.082 254 A CA -0.804 51.262 52.037 0.048 0.000 0.685 254 A CB 1.708 20.730 19.000 0.037 0.000 1.284 254 A HN 0.741 nan 8.150 nan 0.000 0.408 255 R N -0.524 119.998 120.500 0.038 0.000 2.628 255 R HA 0.679 5.019 4.340 -0.000 0.000 0.288 255 R C -0.114 176.202 176.300 0.027 0.000 0.980 255 R CA 0.067 56.186 56.100 0.032 0.000 0.891 255 R CB 2.546 32.869 30.300 0.038 0.000 1.188 255 R HN 1.262 nan 8.270 nan 0.000 0.450 256 G N 0.664 109.471 108.800 0.012 0.000 2.690 256 G HA2 0.486 4.446 3.960 -0.000 0.000 0.291 256 G HA3 0.486 4.446 3.960 -0.000 0.000 0.291 256 G C -1.583 173.296 174.900 -0.035 0.000 1.403 256 G CA -0.455 44.639 45.100 -0.010 0.000 0.864 256 G HN 0.351 nan 8.290 nan 0.000 0.480 257 V N 0.837 120.703 119.914 -0.080 0.000 2.407 257 V HA 0.285 4.405 4.120 -0.000 0.000 0.278 257 V C 0.476 176.450 176.094 -0.199 0.000 1.037 257 V CA -0.609 61.604 62.300 -0.145 0.000 0.900 257 V CB 1.510 33.188 31.823 -0.241 0.000 0.983 257 V HN 0.553 nan 8.190 nan 0.000 0.459 258 V N 6.662 126.447 119.914 -0.216 0.000 2.458 258 V HA -0.010 4.110 4.120 -0.000 0.000 0.287 258 V C 1.180 176.986 176.094 -0.481 0.000 1.009 258 V CA 0.936 63.087 62.300 -0.248 0.000 1.091 258 V CB 1.010 32.725 31.823 -0.179 0.000 0.960 258 V HN 0.869 nan 8.190 nan 0.000 0.476 259 V N 2.898 122.565 119.914 -0.412 0.000 3.431 259 V HA 0.376 4.496 4.120 -0.000 0.000 0.253 259 V C 0.279 176.048 176.094 -0.543 0.000 1.184 259 V CA 0.558 62.502 62.300 -0.593 0.000 1.104 259 V CB -0.419 31.156 31.823 -0.414 0.000 0.799 259 V HN 0.657 nan 8.190 nan 0.000 0.462 260 Y N -0.818 119.411 120.300 -0.118 0.000 2.482 260 Y HA 0.650 5.200 4.550 -0.000 0.000 0.334 260 Y C -0.130 175.725 175.900 -0.075 0.000 1.091 260 Y CA -0.822 57.244 58.100 -0.056 0.000 1.027 260 Y CB 2.460 40.924 38.460 0.006 0.000 1.306 260 Y HN -0.073 nan 8.280 nan 0.000 0.446 261 T N 1.393 116.016 114.554 0.115 0.000 2.916 261 T HA 0.556 4.906 4.350 -0.000 0.000 0.292 261 T C 0.510 175.152 174.700 -0.096 0.000 1.055 261 T CA 0.394 62.482 62.100 -0.020 0.000 1.009 261 T CB 1.559 70.418 68.868 -0.014 0.000 1.118 261 T HN 1.059 nan 8.240 nan 0.000 0.497 262 G N 2.492 111.177 108.800 -0.193 0.000 2.690 262 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.334 262 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.334 262 G C 0.695 175.448 174.900 -0.244 0.000 1.250 262 G CA 1.079 46.041 45.100 -0.229 0.000 0.994 262 G HN 0.732 nan 8.290 nan 0.000 0.549 263 D N 0.841 121.144 120.400 -0.160 0.000 2.310 263 D HA 0.033 4.673 4.640 -0.000 0.000 0.212 263 D C 2.593 178.798 176.300 -0.158 0.000 0.965 263 D CA 0.786 54.697 54.000 -0.148 0.000 0.879 263 D CB -0.104 40.631 40.800 -0.108 0.000 0.921 263 D HN 0.510 nan 8.370 nan 0.000 0.510 264 R N 0.055 120.454 120.500 -0.168 0.000 2.317 264 R HA 0.087 4.427 4.340 -0.000 0.000 0.208 264 R C 0.719 176.785 176.300 -0.390 0.000 0.914 264 R CA 0.110 56.043 56.100 -0.279 0.000 1.060 264 R CB 0.187 30.356 30.300 -0.219 0.000 1.015 264 R HN 0.145 nan 8.270 nan 0.000 0.498 265 T N -2.287 112.173 114.554 -0.158 0.000 2.813 265 T HA 0.071 4.421 4.350 -0.000 0.000 0.297 265 T C 1.653 176.389 174.700 0.060 0.000 1.036 265 T CA -0.755 61.361 62.100 0.026 0.000 1.044 265 T CB 1.498 70.431 68.868 0.108 0.000 0.993 265 T HN -0.251 nan 8.240 nan 0.000 0.535 266 V N 1.053 121.097 119.914 0.218 0.000 2.282 266 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 266 V C 2.511 178.670 176.094 0.109 0.000 1.057 266 V CA 1.823 64.216 62.300 0.155 0.000 1.032 266 V CB -0.730 31.208 31.823 0.192 0.000 0.645 266 V HN 0.805 nan 8.190 nan 0.000 0.447 267 M N -0.183 119.555 119.600 0.231 0.000 2.476 267 M HA 0.148 4.628 4.480 -0.000 0.000 0.262 267 M C 2.274 178.679 176.300 0.176 0.000 1.111 267 M CA 1.304 56.742 55.300 0.231 0.000 1.127 267 M CB -1.726 31.051 32.600 0.295 0.000 1.376 267 M HN 0.387 nan 8.290 nan 0.000 0.465 268 G N 1.274 110.195 108.800 0.200 0.000 2.440 268 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 268 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 268 G C 1.857 176.672 174.900 -0.141 0.000 1.154 268 G CA 0.532 45.611 45.100 -0.035 0.000 0.767 268 G HN 0.410 nan 8.290 nan 0.000 0.552 269 R N -0.445 119.993 120.500 -0.103 0.000 2.075 269 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 269 R C 2.429 178.643 176.300 -0.145 0.000 1.126 269 R CA 0.889 56.917 56.100 -0.119 0.000 0.963 269 R CB -0.454 29.790 30.300 -0.093 0.000 0.858 269 R HN 0.286 nan 8.270 nan 0.000 0.435 270 I N 1.317 121.805 120.570 -0.136 0.000 2.226 270 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 270 I C 2.523 178.417 176.117 -0.371 0.000 1.100 270 I CA 1.022 62.235 61.300 -0.145 0.000 1.374 270 I CB -1.108 36.893 38.000 0.001 0.000 1.057 270 I HN 0.122 nan 8.210 nan 0.000 0.413 271 A N -0.183 122.150 122.820 -0.811 0.000 1.851 271 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 271 A C 2.432 179.742 177.584 -0.457 0.000 1.195 271 A CA 2.734 54.040 52.037 -1.218 0.000 0.622 271 A CB -1.374 16.883 19.000 -1.239 0.000 0.831 271 A HN 0.408 nan 8.150 nan 0.000 0.444 272 T N 0.211 114.585 114.554 -0.299 0.000 2.665 272 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 272 T C 1.847 176.476 174.700 -0.118 0.000 1.035 272 T CA 1.727 63.730 62.100 -0.162 0.000 1.151 272 T CB -0.526 68.265 68.868 -0.129 0.000 0.862 272 T HN 0.336 nan 8.240 nan 0.000 0.438 273 L N 1.328 122.479 121.223 -0.120 0.000 1.989 273 L HA -0.025 4.315 4.340 -0.000 0.000 0.211 273 L C 2.629 179.468 176.870 -0.051 0.000 1.071 273 L CA 2.179 56.974 54.840 -0.074 0.000 0.749 273 L CB -1.099 40.920 42.059 -0.066 0.000 0.890 273 L HN 0.240 nan 8.230 nan 0.000 0.431 274 A N -1.634 121.155 122.820 -0.052 0.000 1.873 274 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 274 A C 2.386 179.983 177.584 0.021 0.000 1.186 274 A CA 1.946 53.993 52.037 0.016 0.000 0.616 274 A CB -1.044 18.026 19.000 0.117 0.000 0.823 274 A HN 0.526 nan 8.150 nan 0.000 0.442 275 S N -0.575 115.122 115.700 -0.005 0.000 2.356 275 S HA -0.056 4.414 4.470 -0.000 0.000 0.223 275 S C 1.829 176.430 174.600 0.002 0.000 1.032 275 S CA 1.231 59.438 58.200 0.012 0.000 1.005 275 S CB -0.505 62.691 63.200 -0.006 0.000 0.867 275 S HN 0.756 nan 8.310 nan 0.000 0.449 276 G N 0.704 109.493 108.800 -0.018 0.000 3.181 276 G HA2 0.306 4.266 3.960 -0.000 0.000 0.219 276 G HA3 0.306 4.266 3.960 -0.000 0.000 0.219 276 G C 0.241 175.135 174.900 -0.010 0.000 1.182 276 G CA -0.268 44.824 45.100 -0.014 0.000 0.791 276 G HN 0.281 nan 8.290 nan 0.000 0.537 277 L N 0.533 121.752 121.223 -0.006 0.000 2.464 277 L HA 0.202 4.542 4.340 -0.000 0.000 0.264 277 L C 0.121 176.991 176.870 0.001 0.000 1.199 277 L CA -0.384 54.453 54.840 -0.005 0.000 0.818 277 L CB 0.807 42.863 42.059 -0.004 0.000 1.102 277 L HN 0.073 nan 8.230 nan 0.000 0.473 278 E N 2.044 122.244 120.200 -0.001 0.000 1.996 278 E HA 0.074 4.424 4.350 -0.000 0.000 0.280 278 E C 1.004 177.607 176.600 0.004 0.000 1.092 278 E CA -0.172 56.230 56.400 0.004 0.000 0.862 278 E CB 1.270 30.971 29.700 0.003 0.000 1.066 278 E HN 0.390 nan 8.360 nan 0.000 0.396 279 V N 3.045 122.964 119.914 0.008 0.000 2.218 279 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 279 V C 1.298 177.395 176.094 0.005 0.000 1.057 279 V CA 2.033 64.338 62.300 0.007 0.000 1.022 279 V CB -1.378 30.452 31.823 0.012 0.000 0.645 279 V HN 0.955 nan 8.190 nan 0.000 0.451 280 G N -0.900 107.906 108.800 0.009 0.000 2.712 280 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.683 280 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.683 280 G C -0.587 174.319 174.900 0.011 0.000 1.320 280 G CA -0.316 44.789 45.100 0.010 0.000 0.847 280 G HN 0.534 nan 8.290 nan 0.000 0.553 281 R N 0.735 121.243 120.500 0.013 0.000 2.340 281 R HA 0.527 4.867 4.340 -0.000 0.000 0.300 281 R C 1.346 177.652 176.300 0.010 0.000 1.069 281 R CA 0.355 56.464 56.100 0.016 0.000 0.984 281 R CB 0.584 30.897 30.300 0.023 0.000 1.003 281 R HN 0.870 nan 8.270 nan 0.000 0.459 282 T N 0.935 115.494 114.554 0.008 0.000 2.813 282 T HA 0.124 4.474 4.350 -0.000 0.000 0.297 282 T C -1.494 173.213 174.700 0.011 0.000 1.036 282 T CA -1.475 60.627 62.100 0.003 0.000 1.044 282 T CB 0.760 69.627 68.868 -0.001 0.000 0.993 282 T HN 0.334 nan 8.240 nan 0.000 0.535 283 P HA -0.143 nan 4.420 nan 0.000 0.213 283 P C 1.859 179.190 177.300 0.052 0.000 1.170 283 P CA 0.702 63.814 63.100 0.020 0.000 0.898 283 P CB -0.113 31.587 31.700 -0.000 0.000 0.787 284 I N 0.132 120.738 120.570 0.059 0.000 2.151 284 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 284 I C 2.159 178.300 176.117 0.040 0.000 1.080 284 I CA 2.146 63.488 61.300 0.070 0.000 1.339 284 I CB -1.110 36.920 38.000 0.050 0.000 1.039 284 I HN -0.116 nan 8.210 nan 0.000 0.409 285 A N 1.199 124.035 122.820 0.026 0.000 1.892 285 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 285 A C 2.261 179.865 177.584 0.034 0.000 1.188 285 A CA 2.086 54.136 52.037 0.022 0.000 0.631 285 A CB -0.908 18.103 19.000 0.019 0.000 0.822 285 A HN 0.560 nan 8.150 nan 0.000 0.447 286 I N -0.697 119.900 120.570 0.044 0.000 2.394 286 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 286 I C 2.325 178.494 176.117 0.087 0.000 1.136 286 I CA 0.986 62.321 61.300 0.058 0.000 1.425 286 I CB -0.352 37.676 38.000 0.047 0.000 1.079 286 I HN 0.256 nan 8.210 nan 0.000 0.425 287 E N 0.897 121.151 120.200 0.089 0.000 2.106 287 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 287 E C 2.254 178.941 176.600 0.145 0.000 0.984 287 E CA 1.145 57.617 56.400 0.120 0.000 0.806 287 E CB -0.097 29.682 29.700 0.132 0.000 0.750 287 E HN 0.521 nan 8.360 nan 0.000 0.458 288 I N 0.686 121.304 120.570 0.081 0.000 2.193 288 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 288 I C 2.592 178.780 176.117 0.118 0.000 1.084 288 I CA 0.946 62.298 61.300 0.087 0.000 1.365 288 I CB -0.228 37.780 38.000 0.014 0.000 1.064 288 I HN 0.123 nan 8.210 nan 0.000 0.410 289 E N 0.555 120.760 120.200 0.007 0.000 2.097 289 E HA -0.348 4.002 4.350 -0.000 0.000 0.196 289 E C 2.252 178.637 176.600 -0.359 0.000 1.000 289 E CA 1.578 57.879 56.400 -0.166 0.000 0.804 289 E CB -0.218 29.431 29.700 -0.085 0.000 0.740 289 E HN 0.524 nan 8.360 nan 0.000 0.454 290 H N -0.414 118.572 119.070 -0.139 0.000 2.457 290 H HA -0.151 4.405 4.556 -0.000 0.000 0.294 290 H C 1.934 177.264 175.328 0.003 0.000 1.064 290 H CA 1.518 57.547 56.048 -0.031 0.000 1.330 290 H CB -0.219 29.587 29.762 0.074 0.000 1.395 290 H HN 0.356 nan 8.280 nan 0.000 0.541 291 F N 0.879 120.752 119.950 -0.128 0.000 2.234 291 F HA 0.001 4.528 4.527 -0.000 0.000 0.296 291 F C 2.217 177.935 175.800 -0.135 0.000 1.089 291 F CA 0.758 58.684 58.000 -0.123 0.000 1.343 291 F CB -0.587 38.403 39.000 -0.016 0.000 1.040 291 F HN 0.016 nan 8.300 nan 0.000 0.498 292 I N 0.423 120.744 120.570 -0.415 0.000 2.361 292 I HA -0.316 3.854 4.170 -0.000 0.000 0.251 292 I C 2.213 178.119 176.117 -0.352 0.000 1.133 292 I CA 1.703 62.688 61.300 -0.525 0.000 1.413 292 I CB -0.676 37.062 38.000 -0.437 0.000 1.073 292 I HN 0.286 nan 8.210 nan 0.000 0.424 293 H N 0.204 119.126 119.070 -0.246 0.000 2.326 293 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 293 H C 2.285 177.472 175.328 -0.235 0.000 1.081 293 H CA 1.045 56.972 56.048 -0.202 0.000 1.334 293 H CB 0.169 29.829 29.762 -0.169 0.000 1.385 293 H HN 0.134 nan 8.280 nan 0.000 0.504 294 I N 0.798 121.238 120.570 -0.217 0.000 2.163 294 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 294 I C 2.293 178.273 176.117 -0.229 0.000 1.085 294 I CA 1.080 62.237 61.300 -0.237 0.000 1.347 294 I CB -0.784 37.045 38.000 -0.286 0.000 1.044 294 I HN 0.302 nan 8.210 nan 0.000 0.408 295 I N 1.124 121.488 120.570 -0.343 0.000 2.099 295 I HA -0.276 3.894 4.170 -0.000 0.000 0.239 295 I C 2.682 178.747 176.117 -0.087 0.000 1.066 295 I CA 1.720 62.858 61.300 -0.270 0.000 1.324 295 I CB -1.555 36.204 38.000 -0.402 0.000 1.037 295 I HN 0.222 nan 8.210 nan 0.000 0.401 296 T N 0.775 115.300 114.554 -0.049 0.000 2.665 296 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 296 T C 1.875 176.589 174.700 0.023 0.000 1.035 296 T CA 1.664 63.776 62.100 0.019 0.000 1.151 296 T CB -0.850 68.039 68.868 0.036 0.000 0.862 296 T HN 0.572 nan 8.240 nan 0.000 0.438 297 G N 0.951 109.748 108.800 -0.005 0.000 2.475 297 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 297 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 297 G C 1.715 176.646 174.900 0.051 0.000 1.125 297 G CA 1.472 46.578 45.100 0.009 0.000 0.755 297 G HN 0.603 nan 8.290 nan 0.000 0.565 298 V N -2.560 117.373 119.914 0.032 0.000 3.307 298 V HA 0.555 4.675 4.120 -0.000 0.000 0.253 298 V C 2.691 178.880 176.094 0.159 0.000 1.149 298 V CA 1.214 63.574 62.300 0.100 0.000 1.112 298 V CB -0.085 31.761 31.823 0.038 0.000 0.777 298 V HN 0.333 nan 8.190 nan 0.000 0.464 299 A N 1.469 124.349 122.820 0.100 0.000 1.972 299 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 299 A C 2.300 179.941 177.584 0.095 0.000 1.169 299 A CA 2.388 54.476 52.037 0.086 0.000 0.635 299 A CB -0.672 18.363 19.000 0.059 0.000 0.810 299 A HN 1.275 nan 8.150 nan 0.000 0.446 300 V N -4.459 115.520 119.914 0.110 0.000 3.307 300 V HA 0.138 4.258 4.120 -0.000 0.000 0.253 300 V C 2.032 178.204 176.094 0.130 0.000 1.149 300 V CA 1.117 63.473 62.300 0.094 0.000 1.112 300 V CB -0.831 31.032 31.823 0.068 0.000 0.777 300 V HN 0.368 nan 8.190 nan 0.000 0.464 301 F N 1.212 121.194 119.950 0.054 0.000 2.128 301 F HA 0.085 4.612 4.527 -0.000 0.000 0.295 301 F C 1.880 177.753 175.800 0.123 0.000 1.100 301 F CA 1.991 60.035 58.000 0.074 0.000 1.260 301 F CB 0.057 39.094 39.000 0.062 0.000 1.009 301 F HN 0.080 nan 8.300 nan 0.000 0.476 302 L N -0.375 121.025 121.223 0.294 0.000 2.095 302 L HA 0.016 4.356 4.340 -0.000 0.000 0.204 302 L C 2.815 179.798 176.870 0.188 0.000 1.080 302 L CA 1.017 56.006 54.840 0.248 0.000 0.759 302 L CB -1.800 40.374 42.059 0.191 0.000 0.914 302 L HN 0.313 nan 8.230 nan 0.000 0.439 303 G N 1.020 109.890 108.800 0.117 0.000 2.529 303 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 303 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 303 G C 1.623 176.601 174.900 0.130 0.000 1.177 303 G CA 1.742 46.902 45.100 0.100 0.000 0.773 303 G HN 0.356 nan 8.290 nan 0.000 0.573 304 V N -2.551 117.403 119.914 0.068 0.000 2.649 304 V HA 0.116 4.236 4.120 -0.000 0.000 0.248 304 V C 2.493 178.655 176.094 0.114 0.000 1.054 304 V CA 2.182 64.519 62.300 0.061 0.000 1.073 304 V CB -0.230 31.566 31.823 -0.046 0.000 0.699 304 V HN 0.242 nan 8.190 nan 0.000 0.463 305 S N 0.042 115.744 115.700 0.003 0.000 2.442 305 S HA 0.060 4.530 4.470 -0.000 0.000 0.236 305 S C 1.053 175.616 174.600 -0.061 0.000 1.007 305 S CA 1.358 59.502 58.200 -0.094 0.000 0.965 305 S CB -0.521 62.544 63.200 -0.224 0.000 0.773 305 S HN 0.727 nan 8.310 nan 0.000 0.504 306 F N 0.235 120.185 119.950 -0.000 0.000 2.837 306 F HA 0.355 4.882 4.527 -0.000 0.000 0.298 306 F C 0.575 176.438 175.800 0.105 0.000 1.161 306 F CA -0.781 57.225 58.000 0.011 0.000 1.353 306 F CB -0.018 38.975 39.000 -0.012 0.000 0.951 306 F HN 0.260 nan 8.300 nan 0.000 0.508 307 F N 0.463 120.444 119.950 0.053 0.000 2.557 307 F HA 0.159 4.686 4.527 -0.000 0.000 0.278 307 F C 1.982 177.770 175.800 -0.019 0.000 1.051 307 F CA 0.495 58.499 58.000 0.008 0.000 1.357 307 F CB -0.182 38.789 39.000 -0.048 0.000 1.104 307 F HN -0.041 nan 8.300 nan 0.000 0.654 308 I N -0.284 120.220 120.570 -0.111 0.000 2.353 308 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 308 I C 1.907 177.885 176.117 -0.231 0.000 1.119 308 I CA 1.460 62.625 61.300 -0.225 0.000 1.417 308 I CB -0.492 37.504 38.000 -0.007 0.000 1.078 308 I HN 0.337 nan 8.210 nan 0.000 0.421 309 L N 1.269 122.342 121.223 -0.249 0.000 2.072 309 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 309 L C 2.958 179.706 176.870 -0.203 0.000 1.079 309 L CA 1.592 56.260 54.840 -0.287 0.000 0.752 309 L CB -0.221 41.517 42.059 -0.534 0.000 0.906 309 L HN 0.535 nan 8.230 nan 0.000 0.436 310 S N -0.402 115.188 115.700 -0.183 0.000 2.399 310 S HA -0.237 4.233 4.470 -0.000 0.000 0.231 310 S C 1.890 176.509 174.600 0.032 0.000 1.022 310 S CA 1.136 59.263 58.200 -0.121 0.000 0.983 310 S CB -0.619 62.514 63.200 -0.111 0.000 0.803 310 S HN 0.343 nan 8.310 nan 0.000 0.480 311 L N 1.130 122.268 121.223 -0.143 0.000 2.027 311 L HA 0.110 4.450 4.340 -0.000 0.000 0.206 311 L C 2.250 179.093 176.870 -0.046 0.000 1.074 311 L CA 1.279 56.042 54.840 -0.129 0.000 0.745 311 L CB -0.411 41.438 42.059 -0.351 0.000 0.898 311 L HN 0.247 nan 8.230 nan 0.000 0.433 312 I N -0.348 120.177 120.570 -0.075 0.000 2.657 312 I HA -0.261 3.909 4.170 -0.000 0.000 0.261 312 I C 1.940 178.048 176.117 -0.016 0.000 1.212 312 I CA 1.411 62.681 61.300 -0.050 0.000 1.453 312 I CB -0.906 37.051 38.000 -0.072 0.000 1.092 312 I HN 0.330 nan 8.210 nan 0.000 0.452 313 L N -0.251 120.995 121.223 0.037 0.000 2.640 313 L HA 0.271 4.611 4.340 -0.000 0.000 0.230 313 L C 0.951 177.850 176.870 0.049 0.000 1.123 313 L CA 0.332 55.216 54.840 0.073 0.000 0.900 313 L CB 0.177 42.315 42.059 0.131 0.000 1.146 313 L HN 0.394 nan 8.230 nan 0.000 0.484 314 G N -0.207 108.612 108.800 0.032 0.000 2.618 314 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.180 314 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.180 314 G C -0.775 173.951 174.900 -0.289 0.000 1.092 314 G CA -0.758 44.270 45.100 -0.120 0.000 0.856 314 G HN 0.138 nan 8.290 nan 0.000 0.496 315 Y N 0.647 120.931 120.300 -0.026 0.000 2.406 315 Y HA 0.640 5.190 4.550 -0.000 0.000 0.340 315 Y C 0.945 176.825 175.900 -0.032 0.000 0.975 315 Y CA -0.207 57.881 58.100 -0.021 0.000 1.056 315 Y CB 2.030 40.490 38.460 0.000 0.000 1.210 315 Y HN 0.465 nan 8.280 nan 0.000 0.448 316 S N 0.193 115.969 115.700 0.126 0.000 2.625 316 S HA 0.043 4.513 4.470 -0.000 0.000 0.262 316 S C 0.104 174.822 174.600 0.196 0.000 1.223 316 S CA -0.593 57.691 58.200 0.140 0.000 0.993 316 S CB 0.460 63.731 63.200 0.119 0.000 1.051 316 S HN 0.807 nan 8.310 nan 0.000 0.562 317 W N 0.324 121.664 121.300 0.067 0.000 3.434 317 W HA 0.382 5.042 4.660 0.000 0.000 0.297 317 W C 0.720 177.288 176.519 0.083 0.000 1.295 317 W CA -0.138 57.281 57.345 0.124 0.000 1.731 317 W CB -0.624 28.916 29.460 0.133 0.000 1.070 317 W HN 0.486 nan 8.180 nan 0.000 0.726 318 L N -1.822 119.494 121.223 0.154 0.000 2.749 318 L HA 0.261 4.601 4.340 -0.000 0.000 0.242 318 L C 1.653 178.493 176.870 -0.051 0.000 1.103 318 L CA 0.397 55.278 54.840 0.069 0.000 0.906 318 L CB 0.019 42.131 42.059 0.088 0.000 1.228 318 L HN -0.144 nan 8.230 nan 0.000 0.517 319 E N 0.775 120.923 120.200 -0.088 0.000 2.306 319 E HA 0.179 4.529 4.350 -0.000 0.000 0.201 319 E C 2.147 178.390 176.600 -0.596 0.000 0.874 319 E CA 0.688 56.902 56.400 -0.310 0.000 0.972 319 E CB 0.151 29.883 29.700 0.053 0.000 0.957 319 E HN 0.298 nan 8.360 nan 0.000 0.492 320 A N 1.225 123.911 122.820 -0.224 0.000 2.067 320 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 320 A C 2.280 179.895 177.584 0.052 0.000 1.158 320 A CA 0.800 52.768 52.037 -0.115 0.000 0.661 320 A CB -0.262 18.582 19.000 -0.261 0.000 0.801 320 A HN 0.077 nan 8.150 nan 0.000 0.452 321 V N -0.705 119.129 119.914 -0.133 0.000 2.379 321 V HA -0.129 3.991 4.120 -0.000 0.000 0.243 321 V C 2.249 178.256 176.094 -0.145 0.000 1.035 321 V CA 1.552 63.712 62.300 -0.233 0.000 1.035 321 V CB -0.453 31.100 31.823 -0.450 0.000 0.673 321 V HN 0.570 nan 8.190 nan 0.000 0.457 322 I N -0.491 119.967 120.570 -0.187 0.000 2.567 322 I HA -0.197 3.973 4.170 -0.000 0.000 0.257 322 I C 1.918 178.071 176.117 0.060 0.000 1.184 322 I CA 1.680 62.911 61.300 -0.114 0.000 1.451 322 I CB -0.174 37.736 38.000 -0.150 0.000 1.089 322 I HN 0.170 nan 8.210 nan 0.000 0.441 323 F N -0.647 119.361 119.950 0.096 0.000 2.270 323 F HA 0.021 4.548 4.527 0.000 0.000 0.295 323 F C 2.145 178.021 175.800 0.127 0.000 1.087 323 F CA 0.698 58.812 58.000 0.189 0.000 1.365 323 F CB -1.226 37.907 39.000 0.223 0.000 1.056 323 F HN 0.014 nan 8.300 nan 0.000 0.506 324 L N 0.041 121.418 121.223 0.258 0.000 1.970 324 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 324 L C 2.460 179.366 176.870 0.061 0.000 1.071 324 L CA 1.493 56.414 54.840 0.135 0.000 0.751 324 L CB -0.484 41.591 42.059 0.027 0.000 0.889 324 L HN 0.125 nan 8.230 nan 0.000 0.432 325 I N 0.270 120.851 120.570 0.019 0.000 2.335 325 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 325 I C 2.169 178.275 176.117 -0.018 0.000 1.129 325 I CA 1.586 62.882 61.300 -0.007 0.000 1.402 325 I CB -0.870 37.117 38.000 -0.023 0.000 1.069 325 I HN 0.295 nan 8.210 nan 0.000 0.424 326 G N 1.306 110.114 108.800 0.015 0.000 2.586 326 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 326 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 326 G C 1.261 176.080 174.900 -0.135 0.000 1.216 326 G CA 1.117 46.167 45.100 -0.082 0.000 0.786 326 G HN 0.502 nan 8.290 nan 0.000 0.583 327 I N 2.767 123.314 120.570 -0.037 0.000 2.872 327 I HA 0.070 4.240 4.170 -0.000 0.000 0.278 327 I C 1.424 177.509 176.117 -0.054 0.000 1.005 327 I CA -0.121 61.144 61.300 -0.057 0.000 2.196 327 I CB -0.509 37.484 38.000 -0.012 0.000 1.438 327 I HN 0.382 nan 8.210 nan 0.000 0.935 328 I N -1.958 118.563 120.570 -0.082 0.000 3.904 328 I HA 0.060 4.230 4.170 -0.000 0.000 0.235 328 I C 2.059 178.116 176.117 -0.100 0.000 1.062 328 I CA 0.020 61.281 61.300 -0.065 0.000 1.574 328 I CB -0.677 37.291 38.000 -0.053 0.000 1.503 328 I HN -0.068 nan 8.210 nan 0.000 0.463 329 V N 2.410 122.244 119.914 -0.133 0.000 2.240 329 V HA -0.455 3.665 4.120 -0.000 0.000 0.257 329 V C 3.095 179.091 176.094 -0.162 0.000 1.067 329 V CA 3.177 65.382 62.300 -0.158 0.000 1.067 329 V CB -1.684 30.028 31.823 -0.185 0.000 0.683 329 V HN 0.706 nan 8.190 nan 0.000 0.461 330 A N -0.453 122.261 122.820 -0.177 0.000 1.971 330 A HA -0.332 3.988 4.320 -0.000 0.000 0.222 330 A C 2.026 179.526 177.584 -0.140 0.000 1.182 330 A CA 2.593 54.525 52.037 -0.175 0.000 0.649 330 A CB -0.688 18.196 19.000 -0.193 0.000 0.818 330 A HN 0.679 nan 8.150 nan 0.000 0.458 331 N N -0.833 117.804 118.700 -0.106 0.000 2.409 331 N HA 0.048 4.788 4.740 -0.000 0.000 0.174 331 N C -0.120 175.335 175.510 -0.091 0.000 1.037 331 N CA 0.465 53.484 53.050 -0.051 0.000 0.898 331 N CB 0.274 38.759 38.487 -0.004 0.000 1.010 331 N HN 0.221 nan 8.380 nan 0.000 0.445 332 V N 4.884 124.706 119.914 -0.154 0.000 2.368 332 V HA 0.202 4.322 4.120 -0.000 0.000 0.266 332 V C -2.186 173.667 176.094 -0.402 0.000 1.045 332 V CA -1.395 60.718 62.300 -0.312 0.000 0.899 332 V CB 1.330 33.037 31.823 -0.193 0.000 1.006 332 V HN 0.024 nan 8.190 nan 0.000 0.470 333 P HA 0.213 nan 4.420 nan 0.000 0.273 333 P C 0.117 177.182 177.300 -0.392 0.000 1.319 333 P CA -0.151 62.725 63.100 -0.374 0.000 0.885 333 P CB 1.007 32.565 31.700 -0.237 0.000 1.015 334 E N 2.409 122.474 120.200 -0.225 0.000 2.204 334 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 334 E C 2.144 178.719 176.600 -0.042 0.000 0.989 334 E CA 1.399 57.723 56.400 -0.127 0.000 0.824 334 E CB -0.510 29.128 29.700 -0.103 0.000 0.756 334 E HN 0.562 nan 8.360 nan 0.000 0.477 335 G N -0.227 108.550 108.800 -0.038 0.000 3.042 335 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.212 335 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.212 335 G C 1.235 176.147 174.900 0.021 0.000 1.166 335 G CA -0.204 44.903 45.100 0.012 0.000 0.767 335 G HN 0.103 nan 8.290 nan 0.000 0.546 336 L N 0.604 121.837 121.223 0.016 0.000 2.072 336 L HA 0.219 4.559 4.340 -0.000 0.000 0.205 336 L C 2.691 179.602 176.870 0.068 0.000 1.079 336 L CA 1.182 56.047 54.840 0.042 0.000 0.752 336 L CB -0.423 41.679 42.059 0.072 0.000 0.906 336 L HN 0.145 nan 8.230 nan 0.000 0.436 337 L N -0.824 120.494 121.223 0.158 0.000 1.971 337 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 337 L C 2.660 179.547 176.870 0.028 0.000 1.072 337 L CA 1.595 56.522 54.840 0.145 0.000 0.758 337 L CB -1.150 41.043 42.059 0.223 0.000 0.889 337 L HN 0.348 nan 8.230 nan 0.000 0.433 338 A N -0.431 122.395 122.820 0.010 0.000 1.948 338 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 338 A C 2.337 179.737 177.584 -0.307 0.000 1.177 338 A CA 2.498 54.387 52.037 -0.248 0.000 0.636 338 A CB -0.937 18.024 19.000 -0.064 0.000 0.815 338 A HN 0.466 nan 8.150 nan 0.000 0.449 339 T N -0.330 114.146 114.554 -0.129 0.000 2.668 339 T HA -0.117 4.233 4.350 -0.000 0.000 0.262 339 T C 1.894 176.526 174.700 -0.115 0.000 1.045 339 T CA 1.602 63.642 62.100 -0.099 0.000 1.152 339 T CB -0.627 68.220 68.868 -0.034 0.000 0.864 339 T HN 0.157 nan 8.240 nan 0.000 0.419 340 V N 1.839 121.692 119.914 -0.102 0.000 2.380 340 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 340 V C 2.745 178.772 176.094 -0.113 0.000 1.063 340 V CA 2.189 64.424 62.300 -0.108 0.000 1.055 340 V CB -1.292 30.466 31.823 -0.108 0.000 0.657 340 V HN 0.571 nan 8.190 nan 0.000 0.455 341 T N -0.168 114.303 114.554 -0.140 0.000 2.701 341 T HA -0.132 4.218 4.350 -0.000 0.000 0.263 341 T C 1.957 176.562 174.700 -0.158 0.000 1.040 341 T CA 1.628 63.642 62.100 -0.143 0.000 1.147 341 T CB -0.256 68.510 68.868 -0.171 0.000 0.865 341 T HN 0.297 nan 8.240 nan 0.000 0.426 342 V N 1.102 120.873 119.914 -0.240 0.000 2.392 342 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 342 V C 2.836 178.887 176.094 -0.072 0.000 1.059 342 V CA 1.274 63.492 62.300 -0.136 0.000 1.051 342 V CB -0.919 30.819 31.823 -0.141 0.000 0.658 342 V HN 0.617 nan 8.190 nan 0.000 0.455 343 C N -0.625 118.622 119.300 -0.089 0.000 2.436 343 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 343 C C 2.583 177.508 174.990 -0.107 0.000 1.241 343 C CA 0.680 59.644 59.018 -0.090 0.000 1.721 343 C CB -1.072 26.612 27.740 -0.092 0.000 2.043 343 C HN 0.460 nan 8.230 nan 0.000 0.472 344 L N 0.853 122.013 121.223 -0.105 0.000 1.990 344 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 344 L C 2.687 179.489 176.870 -0.112 0.000 1.072 344 L CA 2.245 57.020 54.840 -0.108 0.000 0.755 344 L CB -1.729 40.265 42.059 -0.110 0.000 0.889 344 L HN 0.344 nan 8.230 nan 0.000 0.432 345 T N -0.442 114.052 114.554 -0.100 0.000 2.720 345 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 345 T C 2.055 176.736 174.700 -0.033 0.000 1.037 345 T CA 1.297 63.357 62.100 -0.066 0.000 1.144 345 T CB -0.326 68.570 68.868 0.047 0.000 0.864 345 T HN 0.199 nan 8.240 nan 0.000 0.444 346 L N 0.673 121.874 121.223 -0.036 0.000 2.141 346 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 346 L C 2.859 179.666 176.870 -0.105 0.000 1.094 346 L CA 1.094 55.914 54.840 -0.032 0.000 0.763 346 L CB -0.876 41.180 42.059 -0.006 0.000 0.908 346 L HN 0.328 nan 8.230 nan 0.000 0.437 347 T N -0.241 114.227 114.554 -0.142 0.000 2.770 347 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 347 T C 2.071 176.712 174.700 -0.099 0.000 1.039 347 T CA 1.124 63.134 62.100 -0.150 0.000 1.142 347 T CB -0.275 68.506 68.868 -0.145 0.000 0.868 347 T HN 0.412 nan 8.240 nan 0.000 0.435 348 A N 2.276 125.045 122.820 -0.086 0.000 1.917 348 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 348 A C 2.268 179.825 177.584 -0.045 0.000 1.182 348 A CA 1.478 53.473 52.037 -0.070 0.000 0.633 348 A CB -0.404 18.544 19.000 -0.086 0.000 0.819 348 A HN 0.246 nan 8.150 nan 0.000 0.448 349 K N -0.529 119.853 120.400 -0.030 0.000 2.097 349 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 349 K C 2.094 178.688 176.600 -0.010 0.000 1.049 349 K CA 1.429 57.713 56.287 -0.004 0.000 0.933 349 K CB -0.427 32.085 32.500 0.021 0.000 0.717 349 K HN 0.615 nan 8.250 nan 0.000 0.442 350 R N 0.610 121.094 120.500 -0.027 0.000 2.092 350 R HA 0.025 4.365 4.340 -0.000 0.000 0.231 350 R C 2.290 178.573 176.300 -0.029 0.000 1.119 350 R CA 1.190 57.274 56.100 -0.026 0.000 0.970 350 R CB -0.037 30.232 30.300 -0.052 0.000 0.864 350 R HN 0.126 nan 8.270 nan 0.000 0.440 351 M N -0.435 119.141 119.600 -0.039 0.000 2.254 351 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 351 M C 2.373 178.655 176.300 -0.030 0.000 1.066 351 M CA 1.312 56.589 55.300 -0.039 0.000 1.123 351 M CB -0.066 32.504 32.600 -0.050 0.000 1.388 351 M HN 0.241 nan 8.290 nan 0.000 0.425 352 A N 0.751 123.557 122.820 -0.023 0.000 1.902 352 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 352 A C 2.117 179.695 177.584 -0.010 0.000 1.181 352 A CA 1.434 53.462 52.037 -0.014 0.000 0.623 352 A CB -0.617 18.380 19.000 -0.006 0.000 0.818 352 A HN 0.424 nan 8.150 nan 0.000 0.443 353 R N -0.378 120.116 120.500 -0.009 0.000 2.328 353 R HA -0.008 4.332 4.340 -0.000 0.000 0.207 353 R C 0.350 176.645 176.300 -0.010 0.000 1.056 353 R CA 0.858 56.954 56.100 -0.006 0.000 1.016 353 R CB -0.052 30.246 30.300 -0.002 0.000 0.872 353 R HN 0.410 nan 8.270 nan 0.000 0.471 354 K N 0.732 121.123 120.400 -0.015 0.000 2.699 354 K HA 0.132 4.452 4.320 -0.000 0.000 0.210 354 K C -0.442 176.147 176.600 -0.017 0.000 1.076 354 K CA -0.287 55.990 56.287 -0.016 0.000 1.109 354 K CB 0.583 33.069 32.500 -0.022 0.000 0.862 354 K HN 0.047 nan 8.250 nan 0.000 0.470 355 N N 1.018 119.710 118.700 -0.014 0.000 2.714 355 N HA -0.190 4.550 4.740 -0.000 0.000 0.253 355 N C -0.904 174.594 175.510 -0.020 0.000 1.024 355 N CA 0.779 53.821 53.050 -0.013 0.000 0.726 355 N CB -1.581 36.901 38.487 -0.009 0.000 0.908 355 N HN 0.384 nan 8.380 nan 0.000 0.542 356 C N 1.198 120.483 119.300 -0.024 0.000 2.949 356 C HA 0.507 4.967 4.460 -0.000 0.000 0.306 356 C C -0.126 174.844 174.990 -0.033 0.000 1.045 356 C CA -1.099 57.899 59.018 -0.034 0.000 1.414 356 C CB -0.361 27.352 27.740 -0.045 0.000 1.854 356 C HN 0.386 nan 8.230 nan 0.000 0.487 357 L N 6.304 127.510 121.223 -0.028 0.000 2.331 357 L HA 0.693 5.033 4.340 -0.000 0.000 0.278 357 L C -0.336 176.514 176.870 -0.033 0.000 1.106 357 L CA 0.496 55.321 54.840 -0.025 0.000 0.824 357 L CB 1.433 43.482 42.059 -0.016 0.000 1.142 357 L HN 0.541 nan 8.230 nan 0.000 0.443 358 V N 5.997 125.888 119.914 -0.038 0.000 2.448 358 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 358 V C 0.653 176.718 176.094 -0.048 0.000 1.025 358 V CA -0.702 61.569 62.300 -0.049 0.000 0.859 358 V CB 1.251 33.035 31.823 -0.064 0.000 0.988 358 V HN 0.791 nan 8.190 nan 0.000 0.431 359 K N 2.298 122.672 120.400 -0.044 0.000 2.361 359 K HA 0.188 4.508 4.320 -0.000 0.000 0.196 359 K C -0.006 176.559 176.600 -0.057 0.000 1.039 359 K CA 0.425 56.690 56.287 -0.037 0.000 1.001 359 K CB 0.228 32.714 32.500 -0.023 0.000 0.795 359 K HN 0.601 nan 8.250 nan 0.000 0.495 360 N N 0.212 118.868 118.700 -0.073 0.000 2.238 360 N HA 0.126 4.866 4.740 -0.000 0.000 0.302 360 N C -0.087 175.348 175.510 -0.124 0.000 1.072 360 N CA -0.429 52.566 53.050 -0.092 0.000 0.792 360 N CB 1.764 40.214 38.487 -0.062 0.000 1.425 360 N HN -0.210 nan 8.380 nan 0.000 0.478 361 L N 1.546 122.669 121.223 -0.167 0.000 2.056 361 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 361 L C 1.575 178.380 176.870 -0.109 0.000 1.078 361 L CA 1.849 56.581 54.840 -0.181 0.000 0.749 361 L CB -0.527 41.392 42.059 -0.233 0.000 0.901 361 L HN 0.685 nan 8.230 nan 0.000 0.433 362 E N -1.001 119.152 120.200 -0.078 0.000 2.265 362 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 362 E C 2.014 178.588 176.600 -0.043 0.000 0.996 362 E CA 0.883 57.254 56.400 -0.048 0.000 0.832 362 E CB -0.162 29.521 29.700 -0.030 0.000 0.756 362 E HN 0.531 nan 8.360 nan 0.000 0.491 363 A N 0.545 123.333 122.820 -0.054 0.000 2.209 363 A HA -0.042 4.278 4.320 -0.000 0.000 0.212 363 A C 2.240 179.792 177.584 -0.054 0.000 1.158 363 A CA 0.391 52.398 52.037 -0.050 0.000 0.742 363 A CB -0.131 18.838 19.000 -0.052 0.000 0.790 363 A HN 0.091 nan 8.150 nan 0.000 0.472 364 V N -0.088 119.790 119.914 -0.060 0.000 2.407 364 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 364 V C 2.620 178.688 176.094 -0.043 0.000 1.055 364 V CA 2.245 64.509 62.300 -0.060 0.000 1.049 364 V CB -0.375 31.404 31.823 -0.072 0.000 0.662 364 V HN 0.659 nan 8.190 nan 0.000 0.455 365 E N -0.088 120.097 120.200 -0.025 0.000 2.102 365 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 365 E C 2.290 178.879 176.600 -0.019 0.000 0.971 365 E CA 1.284 57.686 56.400 0.003 0.000 0.821 365 E CB -0.048 29.683 29.700 0.052 0.000 0.777 365 E HN 0.596 nan 8.360 nan 0.000 0.460 366 T N 2.395 116.933 114.554 -0.028 0.000 2.699 366 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 366 T C 1.785 176.452 174.700 -0.055 0.000 1.036 366 T CA 1.046 63.123 62.100 -0.040 0.000 1.147 366 T CB -0.275 68.571 68.868 -0.036 0.000 0.862 366 T HN 0.061 nan 8.240 nan 0.000 0.446 367 L N 1.263 122.451 121.223 -0.057 0.000 2.189 367 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 367 L C 2.499 179.327 176.870 -0.071 0.000 1.097 367 L CA 1.509 56.309 54.840 -0.067 0.000 0.764 367 L CB -1.224 40.791 42.059 -0.074 0.000 0.900 367 L HN 0.403 nan 8.230 nan 0.000 0.436 368 G N -2.962 105.795 108.800 -0.071 0.000 2.683 368 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.213 368 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.213 368 G C 1.258 176.079 174.900 -0.132 0.000 1.142 368 G CA 0.616 45.664 45.100 -0.087 0.000 0.793 368 G HN 0.451 nan 8.290 nan 0.000 0.534 369 S N 0.435 116.055 115.700 -0.134 0.000 2.572 369 S HA 0.166 4.636 4.470 -0.000 0.000 0.228 369 S C 0.539 175.075 174.600 -0.107 0.000 0.963 369 S CA -0.245 57.858 58.200 -0.162 0.000 0.939 369 S CB 0.575 63.674 63.200 -0.168 0.000 0.804 369 S HN 0.148 nan 8.310 nan 0.000 0.480 370 T N 2.931 117.434 114.554 -0.084 0.000 2.794 370 T HA 0.210 4.560 4.350 -0.000 0.000 0.296 370 T C 1.247 175.916 174.700 -0.052 0.000 0.949 370 T CA -0.233 61.830 62.100 -0.061 0.000 1.101 370 T CB 1.165 70.000 68.868 -0.055 0.000 0.905 370 T HN 0.374 nan 8.240 nan 0.000 0.516 371 S N 2.061 117.735 115.700 -0.042 0.000 2.468 371 S HA 0.119 4.589 4.470 -0.000 0.000 0.226 371 S C 0.855 175.446 174.600 -0.015 0.000 1.051 371 S CA -0.143 58.039 58.200 -0.030 0.000 0.943 371 S CB 0.317 63.499 63.200 -0.029 0.000 0.810 371 S HN 0.573 nan 8.310 nan 0.000 0.509 372 T N 2.045 116.591 114.554 -0.013 0.000 2.881 372 T HA 0.629 4.979 4.350 -0.000 0.000 0.290 372 T C -0.979 173.722 174.700 0.002 0.000 1.000 372 T CA -0.445 61.655 62.100 0.001 0.000 0.978 372 T CB 1.640 70.509 68.868 0.002 0.000 0.997 372 T HN 0.155 nan 8.240 nan 0.000 0.443 373 I N 2.089 122.671 120.570 0.019 0.000 2.354 373 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 373 I C -0.246 175.899 176.117 0.045 0.000 0.989 373 I CA -0.590 60.728 61.300 0.029 0.000 1.188 373 I CB 1.117 39.147 38.000 0.050 0.000 1.342 373 I HN 0.581 nan 8.210 nan 0.000 0.457 374 C N 4.814 124.134 119.300 0.033 0.000 2.203 374 C HA 0.377 4.837 4.460 -0.000 0.000 0.325 374 C C 0.727 175.748 174.990 0.051 0.000 1.156 374 C CA -0.429 58.611 59.018 0.036 0.000 1.597 374 C CB -0.255 27.486 27.740 0.001 0.000 2.148 374 C HN 0.751 nan 8.230 nan 0.000 0.472 375 S N 2.011 117.755 115.700 0.073 0.000 2.462 375 S HA 0.332 4.802 4.470 -0.000 0.000 0.294 375 S C -0.363 174.261 174.600 0.041 0.000 1.144 375 S CA -0.441 57.812 58.200 0.088 0.000 1.088 375 S CB 0.549 63.827 63.200 0.130 0.000 1.009 375 S HN 0.833 nan 8.310 nan 0.000 0.484 376 D N 3.018 123.438 120.400 0.032 0.000 2.382 376 D HA 0.153 4.793 4.640 -0.000 0.000 0.240 376 D C 0.975 177.264 176.300 -0.017 0.000 1.146 376 D CA 0.143 54.145 54.000 0.003 0.000 0.897 376 D CB 0.795 41.594 40.800 -0.000 0.000 1.197 376 D HN 0.582 nan 8.370 nan 0.000 0.432 377 K N 0.856 121.235 120.400 -0.034 0.000 2.054 377 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 377 K C 0.092 176.658 176.600 -0.057 0.000 1.031 377 K CA 0.377 56.631 56.287 -0.055 0.000 0.952 377 K CB -0.194 32.277 32.500 -0.048 0.000 0.775 377 K HN 0.489 nan 8.250 nan 0.000 0.447 378 T N 0.854 115.381 114.554 -0.045 0.000 2.769 378 T HA 0.263 4.613 4.350 -0.000 0.000 0.293 378 T C 0.560 175.240 174.700 -0.034 0.000 0.931 378 T CA 0.535 62.611 62.100 -0.041 0.000 1.139 378 T CB 0.786 69.631 68.868 -0.038 0.000 0.881 378 T HN 0.665 nan 8.240 nan 0.000 0.532 379 G N 3.365 112.145 108.800 -0.033 0.000 2.179 379 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 379 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 379 G C 0.824 175.719 174.900 -0.009 0.000 0.977 379 G CA 0.607 45.695 45.100 -0.021 0.000 0.641 379 G HN 0.701 nan 8.290 nan 0.000 0.533 380 T N -0.018 114.524 114.554 -0.021 0.000 3.348 380 T HA 0.309 4.659 4.350 -0.000 0.000 0.233 380 T C 2.353 176.979 174.700 -0.124 0.000 0.960 380 T CA 0.883 62.987 62.100 0.006 0.000 1.343 380 T CB -0.165 68.728 68.868 0.041 0.000 1.068 380 T HN 0.123 nan 8.240 nan 0.000 0.410 381 L N 1.683 122.771 121.223 -0.224 0.000 2.156 381 L HA 0.107 4.447 4.340 -0.000 0.000 0.208 381 L C 1.634 178.371 176.870 -0.223 0.000 1.095 381 L CA 0.743 55.357 54.840 -0.376 0.000 0.770 381 L CB -0.501 41.371 42.059 -0.312 0.000 0.914 381 L HN 0.436 nan 8.230 nan 0.000 0.439 382 T N -4.676 109.801 114.554 -0.128 0.000 2.937 382 T HA 0.228 4.578 4.350 -0.000 0.000 0.283 382 T C 0.478 175.146 174.700 -0.053 0.000 1.012 382 T CA -0.731 61.319 62.100 -0.082 0.000 0.997 382 T CB 1.549 70.382 68.868 -0.060 0.000 1.136 382 T HN 0.033 nan 8.240 nan 0.000 0.551 383 Q N 0.289 120.067 119.800 -0.037 0.000 2.451 383 Q HA 0.147 4.487 4.340 -0.000 0.000 0.206 383 Q C 0.153 176.143 176.000 -0.016 0.000 0.947 383 Q CA 0.001 55.791 55.803 -0.021 0.000 0.937 383 Q CB -0.056 28.673 28.738 -0.016 0.000 1.025 383 Q HN 0.737 nan 8.270 nan 0.000 0.511 384 N N 1.459 120.147 118.700 -0.020 0.000 2.726 384 N HA -0.201 4.539 4.740 -0.000 0.000 0.253 384 N C -1.319 174.185 175.510 -0.010 0.000 1.059 384 N CA 0.724 53.764 53.050 -0.016 0.000 0.701 384 N CB -0.693 37.784 38.487 -0.017 0.000 0.899 384 N HN 0.363 nan 8.380 nan 0.000 0.548 385 R N 1.375 121.871 120.500 -0.008 0.000 3.172 385 R HA 0.105 4.445 4.340 -0.000 0.000 0.259 385 R C -0.463 175.836 176.300 -0.001 0.000 1.618 385 R CA -0.672 55.427 56.100 -0.002 0.000 1.047 385 R CB 0.070 30.372 30.300 0.003 0.000 1.438 385 R HN 0.195 nan 8.270 nan 0.000 0.427 386 M N 2.895 122.495 119.600 0.000 0.000 2.603 386 M HA -0.000 4.480 4.480 -0.000 0.000 0.399 386 M C -0.866 175.438 176.300 0.005 0.000 1.745 386 M CA 1.421 56.724 55.300 0.004 0.000 1.055 386 M CB 0.166 32.767 32.600 0.002 0.000 2.144 386 M HN 0.407 nan 8.290 nan 0.000 0.483 387 T N 4.223 118.778 114.554 0.002 0.000 2.856 387 T HA 0.518 4.868 4.350 -0.000 0.000 0.283 387 T C -0.586 174.109 174.700 -0.009 0.000 1.008 387 T CA -0.796 61.301 62.100 -0.004 0.000 0.997 387 T CB 1.402 70.260 68.868 -0.018 0.000 0.992 387 T HN 0.347 nan 8.240 nan 0.000 0.454 388 V N 2.881 122.788 119.914 -0.013 0.000 2.529 388 V HA 0.320 4.440 4.120 -0.000 0.000 0.292 388 V C 1.014 177.054 176.094 -0.090 0.000 1.028 388 V CA 0.554 62.842 62.300 -0.021 0.000 1.074 388 V CB 0.543 32.358 31.823 -0.013 0.000 0.958 388 V HN 1.165 nan 8.190 nan 0.000 0.481 389 A N 4.350 127.113 122.820 -0.094 0.000 1.970 389 A HA 0.315 4.635 4.320 -0.000 0.000 0.204 389 A C 0.645 177.923 177.584 -0.509 0.000 1.325 389 A CA 0.379 52.258 52.037 -0.262 0.000 0.767 389 A CB 0.128 19.043 19.000 -0.142 0.000 0.949 389 A HN 0.836 nan 8.150 nan 0.000 0.481 390 H N -2.025 117.060 119.070 0.024 0.000 2.895 390 H HA 0.729 5.285 4.556 -0.000 0.000 0.373 390 H C -1.119 174.301 175.328 0.153 0.000 1.174 390 H CA -0.474 55.614 56.048 0.068 0.000 1.144 390 H CB 1.663 31.483 29.762 0.098 0.000 1.793 390 H HN 0.263 nan 8.280 nan 0.000 0.551 391 M N 1.189 121.015 119.600 0.377 0.000 2.530 391 M HA 0.295 4.775 4.480 -0.000 0.000 0.307 391 M C -1.555 175.114 176.300 0.615 0.000 1.161 391 M CA -0.430 55.168 55.300 0.497 0.000 0.903 391 M CB 2.513 35.476 32.600 0.605 0.000 1.711 391 M HN 0.599 nan 8.290 nan 0.000 0.451 392 W N 5.294 126.878 121.300 0.474 0.000 2.499 392 W HA 0.713 5.373 4.660 0.000 0.000 0.320 392 W C -2.106 174.745 176.519 0.553 0.000 1.010 392 W CA -0.600 56.981 57.345 0.393 0.000 1.267 392 W CB 0.930 30.575 29.460 0.309 0.000 1.316 392 W HN 0.587 nan 8.180 nan 0.000 0.431 393 F N 2.779 122.513 119.950 -0.360 0.000 2.773 393 F HA 0.422 4.949 4.527 -0.000 0.000 0.314 393 F C 0.019 175.604 175.800 -0.358 0.000 1.160 393 F CA -1.422 56.324 58.000 -0.422 0.000 0.920 393 F CB 0.864 39.808 39.000 -0.093 0.000 1.323 393 F HN 0.137 nan 8.300 nan 0.000 0.457 394 D N 1.279 121.599 120.400 -0.133 0.000 2.751 394 D HA -0.265 4.375 4.640 -0.000 0.000 0.233 394 D C 0.434 176.595 176.300 -0.232 0.000 1.149 394 D CA 1.810 55.742 54.000 -0.112 0.000 0.682 394 D CB -1.168 39.629 40.800 -0.006 0.000 1.068 394 D HN 0.916 nan 8.370 nan 0.000 0.429 395 N N -0.460 117.989 118.700 -0.417 0.000 2.681 395 N HA -0.286 4.454 4.740 -0.000 0.000 0.250 395 N C -0.557 174.933 175.510 -0.033 0.000 1.133 395 N CA 1.802 54.749 53.050 -0.171 0.000 0.732 395 N CB -0.454 38.071 38.487 0.063 0.000 1.107 395 N HN 0.774 nan 8.380 nan 0.000 0.559 396 Q N 0.004 119.596 119.800 -0.347 0.000 2.331 396 Q HA 0.388 4.728 4.340 -0.000 0.000 0.272 396 Q C -0.595 175.335 176.000 -0.116 0.000 1.062 396 Q CA -0.871 54.825 55.803 -0.177 0.000 0.806 396 Q CB 0.985 29.535 28.738 -0.313 0.000 1.312 396 Q HN 0.184 nan 8.270 nan 0.000 0.431 397 I N 3.807 124.432 120.570 0.092 0.000 2.556 397 I HA 0.151 4.321 4.170 -0.000 0.000 0.284 397 I C -0.078 175.957 176.117 -0.136 0.000 1.114 397 I CA 0.268 61.656 61.300 0.147 0.000 1.418 397 I CB 0.152 38.219 38.000 0.111 0.000 1.394 397 I HN 0.681 nan 8.210 nan 0.000 0.552 398 H N 3.245 122.385 119.070 0.117 0.000 2.670 398 H HA 0.472 5.028 4.556 -0.000 0.000 0.361 398 H C -0.387 175.066 175.328 0.208 0.000 1.169 398 H CA -0.856 55.283 56.048 0.152 0.000 1.198 398 H CB 1.636 31.549 29.762 0.252 0.000 1.700 398 H HN 0.532 nan 8.280 nan 0.000 0.542 399 E N 1.049 121.383 120.200 0.223 0.000 2.216 399 E HA 0.686 5.036 4.350 -0.000 0.000 0.260 399 E C -1.193 175.261 176.600 -0.244 0.000 0.880 399 E CA -1.329 55.062 56.400 -0.016 0.000 0.765 399 E CB 1.625 31.374 29.700 0.082 0.000 1.174 399 E HN 0.665 nan 8.360 nan 0.000 0.417 400 A N 3.035 125.576 122.820 -0.466 0.000 2.313 400 A HA 0.233 4.553 4.320 -0.000 0.000 0.261 400 A C -0.143 177.276 177.584 -0.275 0.000 1.090 400 A CA -0.492 51.238 52.037 -0.511 0.000 0.807 400 A CB 0.562 19.249 19.000 -0.521 0.000 1.055 400 A HN 0.794 nan 8.150 nan 0.000 0.492 401 D N 0.087 120.378 120.400 -0.180 0.000 2.312 401 D HA 0.276 4.916 4.640 -0.000 0.000 0.252 401 D C 1.207 177.448 176.300 -0.098 0.000 1.150 401 D CA 0.736 54.675 54.000 -0.101 0.000 0.870 401 D CB 0.898 41.670 40.800 -0.046 0.000 1.153 401 D HN 0.485 nan 8.370 nan 0.000 0.457 402 T N -0.867 113.634 114.554 -0.088 0.000 3.054 402 T HA 0.096 4.446 4.350 -0.000 0.000 0.255 402 T C 0.909 175.583 174.700 -0.042 0.000 1.035 402 T CA -0.247 61.810 62.100 -0.071 0.000 0.941 402 T CB -0.356 68.463 68.868 -0.081 0.000 1.026 402 T HN 0.391 nan 8.240 nan 0.000 0.533 403 T N 0.585 115.119 114.554 -0.034 0.000 2.860 403 T HA 0.311 4.661 4.350 -0.000 0.000 0.299 403 T C 0.928 175.620 174.700 -0.013 0.000 1.045 403 T CA -0.531 61.556 62.100 -0.021 0.000 1.071 403 T CB 1.335 70.193 68.868 -0.015 0.000 0.985 403 T HN 0.168 nan 8.240 nan 0.000 0.537 404 E N 1.783 121.978 120.200 -0.008 0.000 2.002 404 E HA -0.194 4.156 4.350 -0.000 0.000 0.205 404 E C 1.676 178.275 176.600 -0.002 0.000 1.020 404 E CA 1.894 58.292 56.400 -0.003 0.000 0.856 404 E CB -0.318 29.382 29.700 0.000 0.000 0.788 404 E HN 0.906 nan 8.360 nan 0.000 0.477 405 N N 1.339 120.038 118.700 -0.001 0.000 2.485 405 N HA -0.080 4.660 4.740 -0.000 0.000 0.199 405 N C -0.597 174.912 175.510 -0.001 0.000 1.236 405 N CA 0.219 53.269 53.050 -0.001 0.000 0.852 405 N CB 0.012 38.500 38.487 0.000 0.000 1.018 405 N HN 0.033 nan 8.380 nan 0.000 0.457 406 Q N -0.624 119.174 119.800 -0.003 0.000 2.443 406 Q HA -0.170 4.170 4.340 -0.000 0.000 0.337 406 Q C -0.090 175.910 176.000 -0.001 0.000 1.401 406 Q CA 0.694 56.495 55.803 -0.003 0.000 0.943 406 Q CB -2.216 26.523 28.738 0.002 0.000 1.177 406 Q HN 0.561 nan 8.270 nan 0.000 0.394 407 S N -1.698 114.001 115.700 -0.002 0.000 2.489 407 S HA 0.031 4.501 4.470 -0.000 0.000 0.228 407 S C 1.263 175.864 174.600 0.002 0.000 0.995 407 S CA 0.482 58.682 58.200 0.001 0.000 0.934 407 S CB 0.275 63.476 63.200 0.001 0.000 0.771 407 S HN 0.692 nan 8.310 nan 0.000 0.522 408 G N 1.250 110.049 108.800 -0.002 0.000 2.441 408 G HA2 0.565 4.525 3.960 -0.000 0.000 0.258 408 G HA3 0.565 4.525 3.960 -0.000 0.000 0.258 408 G C -0.144 174.763 174.900 0.011 0.000 1.487 408 G CA 0.100 45.200 45.100 0.001 0.000 1.058 408 G HN 0.561 nan 8.290 nan 0.000 0.552 409 A N -2.201 120.632 122.820 0.021 0.000 2.486 409 A HA 0.828 5.148 4.320 -0.000 0.000 0.289 409 A C 0.054 177.678 177.584 0.068 0.000 1.176 409 A CA 0.023 52.081 52.037 0.034 0.000 0.757 409 A CB 1.001 20.018 19.000 0.029 0.000 1.337 409 A HN 1.802 nan 8.150 nan 0.000 0.423 410 A N -0.306 122.554 122.820 0.068 0.000 2.401 410 A HA 0.537 4.857 4.320 -0.000 0.000 0.259 410 A C 0.399 178.056 177.584 0.121 0.000 1.103 410 A CA 0.120 52.217 52.037 0.099 0.000 0.789 410 A CB -0.487 18.521 19.000 0.014 0.000 1.035 410 A HN 1.618 nan 8.150 nan 0.000 0.491 411 F N 0.374 120.271 119.950 -0.089 0.000 2.383 411 F HA 0.483 5.010 4.527 0.000 0.000 0.287 411 F C 0.287 176.062 175.800 -0.042 0.000 1.069 411 F CA 0.277 58.250 58.000 -0.046 0.000 1.402 411 F CB 0.424 39.406 39.000 -0.030 0.000 1.116 411 F HN 0.457 nan 8.300 nan 0.000 0.549 412 D N -0.708 118.919 120.400 -1.288 0.000 2.722 412 D HA 0.218 4.858 4.640 -0.000 0.000 0.231 412 D C -0.472 175.146 176.300 -1.137 0.000 1.218 412 D CA -0.539 52.850 54.000 -1.018 0.000 0.753 412 D CB 1.668 41.961 40.800 -0.846 0.000 1.471 412 D HN -0.009 nan 8.370 nan 0.000 0.455 413 K N 0.966 121.035 120.400 -0.552 0.000 2.611 413 K HA 0.035 4.354 4.320 -0.000 0.000 0.209 413 K C 1.359 177.930 176.600 -0.048 0.000 1.658 413 K CA 0.912 57.019 56.287 -0.300 0.000 1.080 413 K CB 0.200 32.597 32.500 -0.172 0.000 1.430 413 K HN 0.590 nan 8.250 nan 0.000 0.596 414 T N -0.947 113.565 114.554 -0.069 0.000 2.777 414 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 414 T C 1.250 175.982 174.700 0.053 0.000 1.040 414 T CA 0.790 62.889 62.100 -0.001 0.000 1.141 414 T CB -0.248 68.612 68.868 -0.013 0.000 0.868 414 T HN 0.024 nan 8.240 nan 0.000 0.444 415 S N 0.821 116.574 115.700 0.088 0.000 2.546 415 S HA 0.430 4.900 4.470 -0.000 0.000 0.290 415 S C 1.521 176.193 174.600 0.119 0.000 1.290 415 S CA -0.019 58.264 58.200 0.138 0.000 1.069 415 S CB 0.309 63.663 63.200 0.258 0.000 0.846 415 S HN 0.620 nan 8.310 nan 0.000 0.495 416 A N 4.684 127.546 122.820 0.070 0.000 2.014 416 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 416 A C 2.186 179.769 177.584 -0.002 0.000 1.163 416 A CA 1.811 53.864 52.037 0.026 0.000 0.652 416 A CB -1.100 17.913 19.000 0.021 0.000 0.808 416 A HN 0.842 nan 8.150 nan 0.000 0.449 417 T N -0.805 113.768 114.554 0.032 0.000 2.674 417 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 417 T C 1.620 176.205 174.700 -0.191 0.000 1.039 417 T CA 1.239 63.325 62.100 -0.023 0.000 1.150 417 T CB -0.507 68.429 68.868 0.113 0.000 0.864 417 T HN 0.753 nan 8.240 nan 0.000 0.427 418 W N 1.961 123.028 121.300 -0.388 0.000 2.290 418 W HA -0.279 4.381 4.660 0.000 0.000 0.318 418 W C 2.069 178.343 176.519 -0.407 0.000 1.248 418 W CA 1.674 58.638 57.345 -0.635 0.000 1.263 418 W CB -0.489 28.721 29.460 -0.417 0.000 1.147 418 W HN 0.238 nan 8.180 nan 0.000 0.494 419 S N 0.839 116.186 115.700 -0.588 0.000 2.383 419 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 419 S C 2.127 176.441 174.600 -0.476 0.000 1.026 419 S CA 1.422 59.240 58.200 -0.638 0.000 0.981 419 S CB -0.782 62.237 63.200 -0.302 0.000 0.818 419 S HN 0.425 nan 8.310 nan 0.000 0.472 420 A N 1.457 124.095 122.820 -0.304 0.000 1.908 420 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 420 A C 2.108 179.511 177.584 -0.301 0.000 1.181 420 A CA 1.392 53.331 52.037 -0.163 0.000 0.627 420 A CB -0.698 18.281 19.000 -0.035 0.000 0.818 420 A HN 0.411 nan 8.150 nan 0.000 0.445 421 L N -0.248 120.688 121.223 -0.479 0.000 1.961 421 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 421 L C 2.601 179.080 176.870 -0.653 0.000 1.072 421 L CA 2.638 57.137 54.840 -0.569 0.000 0.749 421 L CB -1.047 40.614 42.059 -0.662 0.000 0.889 421 L HN 0.354 nan 8.230 nan 0.000 0.432 422 S N -0.714 114.395 115.700 -0.985 0.000 2.399 422 S HA -0.367 4.103 4.470 -0.000 0.000 0.235 422 S C 2.332 176.633 174.600 -0.499 0.000 1.063 422 S CA 2.108 59.753 58.200 -0.925 0.000 1.070 422 S CB -0.465 61.981 63.200 -1.256 0.000 0.904 422 S HN 0.516 nan 8.310 nan 0.000 0.456 423 R N 0.030 120.284 120.500 -0.410 0.000 2.081 423 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 423 R C 2.284 178.466 176.300 -0.196 0.000 1.131 423 R CA 1.889 57.834 56.100 -0.259 0.000 0.960 423 R CB -0.348 29.836 30.300 -0.194 0.000 0.856 423 R HN 0.560 nan 8.270 nan 0.000 0.436 424 I N 0.282 120.759 120.570 -0.155 0.000 2.252 424 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 424 I C 2.507 178.629 176.117 0.008 0.000 1.102 424 I CA 1.107 62.389 61.300 -0.030 0.000 1.385 424 I CB -0.399 37.653 38.000 0.086 0.000 1.064 424 I HN 0.238 nan 8.210 nan 0.000 0.414 425 A N 0.841 123.599 122.820 -0.104 0.000 1.933 425 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 425 A C 2.486 180.043 177.584 -0.046 0.000 1.175 425 A CA 1.984 53.985 52.037 -0.060 0.000 0.628 425 A CB -0.650 18.203 19.000 -0.245 0.000 0.814 425 A HN 0.446 nan 8.150 nan 0.000 0.444 426 A N -1.512 121.244 122.820 -0.106 0.000 1.943 426 A HA 0.304 4.624 4.320 -0.000 0.000 0.213 426 A C 1.916 179.448 177.584 -0.087 0.000 1.181 426 A CA 1.169 53.151 52.037 -0.092 0.000 0.653 426 A CB -0.238 18.694 19.000 -0.113 0.000 0.833 426 A HN 0.355 nan 8.150 nan 0.000 0.451 427 L N -1.158 119.991 121.223 -0.124 0.000 2.130 427 L HA 0.120 4.460 4.340 -0.000 0.000 0.200 427 L C 1.605 178.466 176.870 -0.014 0.000 1.075 427 L CA 0.733 55.467 54.840 -0.177 0.000 0.768 427 L CB -1.147 40.620 42.059 -0.486 0.000 0.933 427 L HN 0.407 nan 8.230 nan 0.000 0.451 428 C N 2.910 122.224 119.300 0.024 0.000 3.031 428 C HA 0.330 4.790 4.460 -0.000 0.000 0.489 428 C C 0.378 175.409 174.990 0.068 0.000 1.020 428 C CA -0.139 58.933 59.018 0.089 0.000 1.104 428 C CB -2.834 24.969 27.740 0.106 0.000 1.470 428 C HN 0.465 nan 8.230 nan 0.000 0.583 429 N N 1.697 120.424 118.700 0.044 0.000 2.827 429 N HA 0.223 4.963 4.740 -0.000 0.000 0.248 429 N C -0.244 175.262 175.510 -0.007 0.000 1.074 429 N CA -0.482 52.574 53.050 0.010 0.000 1.042 429 N CB 0.925 39.407 38.487 -0.008 0.000 1.684 429 N HN 0.554 nan 8.380 nan 0.000 0.542 430 R N 0.721 121.205 120.500 -0.025 0.000 2.476 430 R HA 0.445 4.785 4.340 -0.000 0.000 0.276 430 R C 0.462 176.726 176.300 -0.060 0.000 0.941 430 R CA -0.332 55.750 56.100 -0.031 0.000 1.088 430 R CB 0.801 31.090 30.300 -0.018 0.000 1.216 430 R HN 0.464 nan 8.270 nan 0.000 0.533 431 A N 1.488 124.253 122.820 -0.092 0.000 2.351 431 A HA 0.496 4.816 4.320 -0.000 0.000 0.257 431 A C 0.249 177.720 177.584 -0.188 0.000 1.087 431 A CA -0.359 51.596 52.037 -0.137 0.000 0.798 431 A CB 0.564 19.463 19.000 -0.168 0.000 1.033 431 A HN 0.098 nan 8.150 nan 0.000 0.488 432 V N -1.139 118.658 119.914 -0.195 0.000 2.841 432 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 432 V C -0.680 175.295 176.094 -0.200 0.000 1.090 432 V CA -1.046 61.143 62.300 -0.186 0.000 0.930 432 V CB 1.273 33.062 31.823 -0.057 0.000 1.014 432 V HN 0.667 nan 8.190 nan 0.000 0.425 433 F N 2.750 122.700 119.950 -0.001 0.000 2.504 433 F HA 0.322 4.849 4.527 0.000 0.000 0.369 433 F C 1.377 177.176 175.800 -0.001 0.000 1.082 433 F CA -0.027 57.972 58.000 -0.001 0.000 1.216 433 F CB 0.676 39.675 39.000 -0.001 0.000 1.108 433 F HN 0.559 nan 8.300 nan 0.000 0.554 434 Q N 2.252 122.158 119.800 0.177 0.000 2.369 434 Q HA 0.110 4.450 4.340 -0.000 0.000 0.295 434 Q C 0.233 176.289 176.000 0.094 0.000 1.075 434 Q CA -0.093 55.769 55.803 0.098 0.000 0.941 434 Q CB 0.514 29.294 28.738 0.071 0.000 1.260 434 Q HN 0.772 nan 8.270 nan 0.000 0.417 435 A N 1.024 123.879 122.820 0.060 0.000 2.540 435 A HA 0.361 4.681 4.320 -0.000 0.000 0.239 435 A C 1.018 178.621 177.584 0.032 0.000 1.061 435 A CA 0.726 52.790 52.037 0.045 0.000 0.758 435 A CB -0.359 18.659 19.000 0.031 0.000 0.991 435 A HN 1.031 nan 8.150 nan 0.000 0.502 436 G N 1.553 110.366 108.800 0.022 0.000 2.341 436 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.278 436 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.278 436 G C 0.059 174.956 174.900 -0.005 0.000 1.111 436 G CA 0.518 45.621 45.100 0.006 0.000 0.982 436 G HN 0.932 nan 8.290 nan 0.000 0.502 437 Q N -1.051 118.737 119.800 -0.021 0.000 2.103 437 Q HA 0.100 4.440 4.340 -0.000 0.000 0.219 437 Q C 1.229 177.182 176.000 -0.078 0.000 0.784 437 Q CA -0.158 55.620 55.803 -0.042 0.000 1.014 437 Q CB 0.504 29.219 28.738 -0.038 0.000 1.183 437 Q HN 0.429 nan 8.270 nan 0.000 0.469 438 D N 1.419 121.774 120.400 -0.075 0.000 2.239 438 D HA -0.228 4.412 4.640 -0.000 0.000 0.202 438 D C 1.486 177.743 176.300 -0.071 0.000 0.993 438 D CA 0.984 54.932 54.000 -0.087 0.000 0.874 438 D CB -0.011 40.753 40.800 -0.061 0.000 0.922 438 D HN 0.300 nan 8.370 nan 0.000 0.464 439 N N 1.346 120.015 118.700 -0.052 0.000 2.025 439 N HA -0.131 4.609 4.740 -0.000 0.000 0.194 439 N C 0.589 176.071 175.510 -0.046 0.000 1.044 439 N CA 1.060 54.085 53.050 -0.041 0.000 0.851 439 N CB 0.106 38.575 38.487 -0.028 0.000 1.036 439 N HN 0.084 nan 8.380 nan 0.000 0.422 440 V N 0.212 120.096 119.914 -0.051 0.000 2.775 440 V HA 0.383 4.503 4.120 -0.000 0.000 0.299 440 V C -2.281 173.771 176.094 -0.070 0.000 1.062 440 V CA -1.848 60.423 62.300 -0.048 0.000 1.063 440 V CB 0.356 32.158 31.823 -0.035 0.000 0.994 440 V HN 0.104 nan 8.190 nan 0.000 0.483 441 P HA 0.181 nan 4.420 nan 0.000 0.269 441 P C 1.128 178.384 177.300 -0.074 0.000 1.209 441 P CA -0.309 62.755 63.100 -0.059 0.000 0.776 441 P CB 0.436 32.117 31.700 -0.032 0.000 0.876 442 I N 2.086 122.599 120.570 -0.094 0.000 2.068 442 I HA -0.257 3.913 4.170 -0.000 0.000 0.238 442 I C 2.139 178.263 176.117 0.012 0.000 1.046 442 I CA 1.964 63.200 61.300 -0.105 0.000 1.306 442 I CB -1.763 36.202 38.000 -0.058 0.000 1.023 442 I HN 0.407 nan 8.210 nan 0.000 0.399 443 L N 0.059 121.299 121.223 0.028 0.000 2.447 443 L HA -0.185 4.155 4.340 -0.000 0.000 0.225 443 L C 2.216 179.110 176.870 0.040 0.000 1.148 443 L CA 1.135 56.004 54.840 0.047 0.000 0.808 443 L CB -0.559 41.516 42.059 0.027 0.000 0.928 443 L HN 0.392 nan 8.230 nan 0.000 0.448 444 K N 0.267 120.681 120.400 0.023 0.000 2.354 444 K HA 0.083 4.403 4.320 -0.000 0.000 0.194 444 K C 0.573 177.191 176.600 0.029 0.000 1.045 444 K CA -0.204 56.094 56.287 0.019 0.000 1.026 444 K CB 0.291 32.793 32.500 0.003 0.000 0.866 444 K HN 0.363 nan 8.250 nan 0.000 0.530 445 R N 1.462 121.983 120.500 0.035 0.000 2.490 445 R HA 0.230 4.570 4.340 -0.000 0.000 0.280 445 R C -0.535 175.838 176.300 0.122 0.000 1.077 445 R CA -0.248 55.884 56.100 0.053 0.000 1.065 445 R CB 0.590 30.885 30.300 -0.007 0.000 1.003 445 R HN -0.278 nan 8.270 nan 0.000 0.470 446 S N 1.767 117.525 115.700 0.097 0.000 2.549 446 S HA 0.171 4.641 4.470 -0.000 0.000 0.279 446 S C -0.041 174.637 174.600 0.129 0.000 1.321 446 S CA -0.687 57.566 58.200 0.089 0.000 1.054 446 S CB 1.215 64.446 63.200 0.052 0.000 0.899 446 S HN 0.387 nan 8.310 nan 0.000 0.497 447 V N 2.247 122.209 119.914 0.080 0.000 2.581 447 V HA 0.665 4.785 4.120 -0.000 0.000 0.303 447 V C 0.155 176.240 176.094 -0.015 0.000 1.041 447 V CA -0.965 61.346 62.300 0.018 0.000 0.907 447 V CB 1.790 33.570 31.823 -0.072 0.000 0.994 447 V HN 0.956 nan 8.190 nan 0.000 0.442 448 A N 3.152 125.952 122.820 -0.033 0.000 2.269 448 A HA 0.864 5.184 4.320 -0.000 0.000 0.302 448 A C 0.445 177.994 177.584 -0.059 0.000 1.266 448 A CA 0.493 52.509 52.037 -0.033 0.000 0.894 448 A CB 0.008 18.996 19.000 -0.021 0.000 1.147 448 A HN 1.770 nan 8.150 nan 0.000 0.537 449 G N 2.447 111.216 108.800 -0.051 0.000 2.333 449 G HA2 0.408 4.368 3.960 -0.000 0.000 0.330 449 G HA3 0.408 4.368 3.960 -0.000 0.000 0.330 449 G C -1.066 173.799 174.900 -0.057 0.000 1.465 449 G CA -0.342 44.722 45.100 -0.060 0.000 0.996 449 G HN 1.096 nan 8.290 nan 0.000 0.655 450 D N 0.271 120.632 120.400 -0.065 0.000 2.390 450 D HA 0.448 5.088 4.640 -0.000 0.000 0.236 450 D C 1.641 177.905 176.300 -0.062 0.000 1.189 450 D CA 0.502 54.462 54.000 -0.067 0.000 0.887 450 D CB 0.842 41.586 40.800 -0.093 0.000 1.198 450 D HN 1.100 nan 8.370 nan 0.000 0.444 451 A N 1.853 124.643 122.820 -0.050 0.000 1.873 451 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 451 A C 2.276 179.838 177.584 -0.036 0.000 1.193 451 A CA 3.095 55.111 52.037 -0.036 0.000 0.629 451 A CB -1.279 17.707 19.000 -0.024 0.000 0.826 451 A HN 0.770 nan 8.150 nan 0.000 0.447 452 S N -0.342 115.329 115.700 -0.048 0.000 2.368 452 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 452 S C 1.733 176.316 174.600 -0.030 0.000 1.030 452 S CA 1.498 59.677 58.200 -0.035 0.000 0.999 452 S CB -0.551 62.613 63.200 -0.061 0.000 0.844 452 S HN 0.649 nan 8.310 nan 0.000 0.459 453 E N 1.241 121.405 120.200 -0.060 0.000 2.152 453 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 453 E C 2.279 178.837 176.600 -0.070 0.000 0.983 453 E CA 1.186 57.551 56.400 -0.057 0.000 0.818 453 E CB -0.179 29.475 29.700 -0.077 0.000 0.758 453 E HN 0.708 nan 8.360 nan 0.000 0.467 454 S N 1.276 116.931 115.700 -0.075 0.000 2.383 454 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 454 S C 2.210 176.780 174.600 -0.050 0.000 1.026 454 S CA 0.890 59.035 58.200 -0.091 0.000 0.981 454 S CB -0.183 62.980 63.200 -0.062 0.000 0.818 454 S HN 0.330 nan 8.310 nan 0.000 0.472 455 A N 2.167 124.976 122.820 -0.018 0.000 1.865 455 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 455 A C 2.198 179.791 177.584 0.016 0.000 1.191 455 A CA 1.395 53.437 52.037 0.008 0.000 0.623 455 A CB -0.911 18.099 19.000 0.017 0.000 0.826 455 A HN 0.455 nan 8.150 nan 0.000 0.444 456 L N -0.767 120.466 121.223 0.016 0.000 2.046 456 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 456 L C 2.637 179.505 176.870 -0.003 0.000 1.077 456 L CA 1.094 55.947 54.840 0.021 0.000 0.747 456 L CB -0.596 41.495 42.059 0.054 0.000 0.896 456 L HN 0.453 nan 8.230 nan 0.000 0.432 457 L N 0.289 121.483 121.223 -0.048 0.000 1.971 457 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 457 L C 2.686 179.572 176.870 0.027 0.000 1.072 457 L CA 1.914 56.693 54.840 -0.101 0.000 0.758 457 L CB -0.270 41.603 42.059 -0.310 0.000 0.889 457 L HN 0.306 nan 8.230 nan 0.000 0.433 458 K N -1.097 119.345 120.400 0.069 0.000 2.209 458 K HA -0.209 4.111 4.320 -0.000 0.000 0.204 458 K C 2.143 178.827 176.600 0.141 0.000 1.048 458 K CA 1.330 57.739 56.287 0.203 0.000 0.940 458 K CB -0.351 32.248 32.500 0.166 0.000 0.729 458 K HN 0.502 nan 8.250 nan 0.000 0.451 459 C N 1.110 120.464 119.300 0.090 0.000 2.462 459 C HA -0.094 4.366 4.460 -0.000 0.000 0.278 459 C C 2.431 177.501 174.990 0.133 0.000 1.253 459 C CA 0.449 59.520 59.018 0.089 0.000 1.713 459 C CB -0.661 27.119 27.740 0.066 0.000 2.049 459 C HN 0.323 nan 8.230 nan 0.000 0.477 460 I N 1.025 121.661 120.570 0.109 0.000 2.252 460 I HA -0.081 4.089 4.170 -0.000 0.000 0.245 460 I C 2.472 178.660 176.117 0.118 0.000 1.102 460 I CA 1.647 63.007 61.300 0.101 0.000 1.385 460 I CB -1.919 36.083 38.000 0.004 0.000 1.064 460 I HN 0.431 nan 8.210 nan 0.000 0.414 461 E N 1.260 121.549 120.200 0.148 0.000 2.130 461 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 461 E C 2.086 178.753 176.600 0.111 0.000 0.998 461 E CA 1.328 57.829 56.400 0.168 0.000 0.806 461 E CB -0.270 29.625 29.700 0.326 0.000 0.738 461 E HN 0.259 nan 8.360 nan 0.000 0.459 462 L N -0.181 121.113 121.223 0.117 0.000 2.007 462 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 462 L C 1.989 178.919 176.870 0.101 0.000 1.073 462 L CA 1.869 56.762 54.840 0.088 0.000 0.744 462 L CB -0.429 41.681 42.059 0.085 0.000 0.898 462 L HN 0.566 nan 8.230 nan 0.000 0.435 463 C N -3.969 115.423 119.300 0.152 0.000 2.647 463 C HA 0.468 4.928 4.460 -0.000 0.000 0.296 463 C C 1.043 176.168 174.990 0.226 0.000 1.403 463 C CA -0.820 58.312 59.018 0.190 0.000 1.781 463 C CB -1.593 26.300 27.740 0.254 0.000 2.464 463 C HN 0.569 nan 8.230 nan 0.000 0.559 464 C N 1.027 120.419 119.300 0.154 0.000 3.843 464 C HA 0.585 5.045 4.460 -0.000 0.000 0.305 464 C C 1.480 176.505 174.990 0.058 0.000 2.482 464 C CA 0.634 59.718 59.018 0.110 0.000 1.563 464 C CB -1.022 26.765 27.740 0.078 0.000 3.238 464 C HN 1.285 nan 8.230 nan 0.000 0.423 465 G N 1.427 110.262 108.800 0.058 0.000 2.692 465 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.248 465 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.248 465 G C -0.013 174.913 174.900 0.043 0.000 1.340 465 G CA 0.153 45.276 45.100 0.038 0.000 0.896 465 G HN 0.884 nan 8.290 nan 0.000 0.570 466 S N -0.939 114.781 115.700 0.034 0.000 2.546 466 S HA 0.242 4.712 4.470 -0.000 0.000 0.290 466 S C 1.754 176.386 174.600 0.053 0.000 1.262 466 S CA 0.244 58.475 58.200 0.052 0.000 1.083 466 S CB 0.880 64.102 63.200 0.036 0.000 0.859 466 S HN 1.330 nan 8.310 nan 0.000 0.495 467 V N 5.783 125.751 119.914 0.090 0.000 2.427 467 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 467 V C 2.569 178.682 176.094 0.031 0.000 1.051 467 V CA 2.023 64.353 62.300 0.050 0.000 1.048 467 V CB -0.823 31.037 31.823 0.062 0.000 0.666 467 V HN 0.934 nan 8.190 nan 0.000 0.456 468 Q N 0.173 120.009 119.800 0.060 0.000 2.077 468 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 468 Q C 2.294 178.306 176.000 0.021 0.000 0.989 468 Q CA 2.180 58.008 55.803 0.043 0.000 0.853 468 Q CB -0.591 28.183 28.738 0.060 0.000 0.907 468 Q HN 0.680 nan 8.270 nan 0.000 0.418 469 G N 0.715 109.526 108.800 0.019 0.000 2.529 469 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 469 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 469 G C 1.320 176.214 174.900 -0.011 0.000 1.177 469 G CA 1.330 46.432 45.100 0.004 0.000 0.773 469 G HN 0.331 nan 8.290 nan 0.000 0.573 470 M N -0.591 118.994 119.600 -0.024 0.000 2.099 470 M HA 0.054 4.534 4.480 -0.000 0.000 0.262 470 M C 2.736 179.004 176.300 -0.053 0.000 1.067 470 M CA 1.212 56.480 55.300 -0.054 0.000 1.124 470 M CB -0.049 32.502 32.600 -0.082 0.000 1.353 470 M HN 0.063 nan 8.290 nan 0.000 0.410 471 R N 0.165 120.645 120.500 -0.034 0.000 2.241 471 R HA -0.129 4.211 4.340 -0.000 0.000 0.224 471 R C 1.313 177.623 176.300 0.015 0.000 1.101 471 R CA 1.034 57.128 56.100 -0.009 0.000 0.995 471 R CB -0.236 30.067 30.300 0.005 0.000 0.870 471 R HN 0.369 nan 8.270 nan 0.000 0.463 472 D N -0.447 119.958 120.400 0.007 0.000 2.202 472 D HA 0.005 4.645 4.640 -0.000 0.000 0.214 472 D C 1.676 177.982 176.300 0.010 0.000 0.967 472 D CA 0.824 54.832 54.000 0.013 0.000 0.871 472 D CB -0.010 40.796 40.800 0.011 0.000 1.020 472 D HN 0.061 nan 8.370 nan 0.000 0.474 473 R N 0.289 120.787 120.500 -0.003 0.000 2.200 473 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 473 R C -0.047 176.252 176.300 -0.002 0.000 1.127 473 R CA 0.801 56.897 56.100 -0.007 0.000 0.989 473 R CB -0.140 30.147 30.300 -0.021 0.000 0.869 473 R HN 0.110 nan 8.270 nan 0.000 0.459 474 N N 0.058 118.757 118.700 -0.001 0.000 2.844 474 N HA 0.197 4.937 4.740 -0.000 0.000 0.268 474 N C -2.805 172.782 175.510 0.128 0.000 1.574 474 N CA -1.418 51.646 53.050 0.024 0.000 0.838 474 N CB 1.357 39.802 38.487 -0.070 0.000 1.177 474 N HN -0.121 nan 8.380 nan 0.000 0.495 475 P HA -0.113 nan 4.420 nan 0.000 0.261 475 P C -0.083 177.269 177.300 0.086 0.000 1.173 475 P CA 0.254 63.406 63.100 0.086 0.000 0.760 475 P CB 0.621 32.345 31.700 0.039 0.000 0.783 476 K N 3.962 124.369 120.400 0.011 0.000 2.339 476 K HA 0.130 4.450 4.320 -0.000 0.000 0.286 476 K C 1.149 177.574 176.600 -0.292 0.000 1.050 476 K CA -0.133 55.941 56.287 -0.355 0.000 0.956 476 K CB 0.095 32.455 32.500 -0.233 0.000 0.990 476 K HN 0.425 nan 8.250 nan 0.000 0.475 477 I N 1.058 121.381 120.570 -0.411 0.000 3.039 477 I HA 0.123 4.293 4.170 -0.000 0.000 0.270 477 I C -0.244 175.712 176.117 -0.268 0.000 1.150 477 I CA -0.228 60.895 61.300 -0.294 0.000 1.448 477 I CB 0.560 38.365 38.000 -0.325 0.000 1.197 477 I HN 0.121 nan 8.210 nan 0.000 0.450 478 V N 1.196 120.883 119.914 -0.379 0.000 3.178 478 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 478 V C -1.269 174.651 176.094 -0.290 0.000 1.262 478 V CA -0.622 61.517 62.300 -0.269 0.000 1.030 478 V CB 1.970 33.669 31.823 -0.206 0.000 1.074 478 V HN 0.558 nan 8.190 nan 0.000 0.438 479 E N 1.687 121.799 120.200 -0.146 0.000 2.392 479 E HA 0.674 5.024 4.350 -0.000 0.000 0.279 479 E C -1.907 174.692 176.600 -0.002 0.000 0.964 479 E CA -0.957 55.393 56.400 -0.084 0.000 0.777 479 E CB 2.533 32.187 29.700 -0.077 0.000 1.249 479 E HN 0.557 nan 8.360 nan 0.000 0.449 480 I N 3.011 123.603 120.570 0.036 0.000 2.307 480 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 480 I C -2.067 174.035 176.117 -0.025 0.000 1.054 480 I CA -2.328 58.980 61.300 0.012 0.000 1.218 480 I CB 1.006 39.016 38.000 0.016 0.000 1.398 480 I HN 0.335 nan 8.210 nan 0.000 0.475 481 P HA -0.129 nan 4.420 nan 0.000 0.265 481 P C -0.107 177.191 177.300 -0.002 0.000 1.193 481 P CA -0.066 63.042 63.100 0.014 0.000 0.765 481 P CB 0.386 32.094 31.700 0.014 0.000 0.823 482 F N 3.620 123.507 119.950 -0.105 0.000 2.417 482 F HA -0.148 4.379 4.527 -0.000 0.000 0.412 482 F C 0.645 176.364 175.800 -0.135 0.000 0.964 482 F CA 0.700 58.621 58.000 -0.131 0.000 1.081 482 F CB -0.390 38.562 39.000 -0.080 0.000 0.909 482 F HN 0.252 nan 8.300 nan 0.000 0.522 483 N N 3.273 121.657 118.700 -0.527 0.000 2.493 483 N HA 0.094 4.834 4.740 -0.000 0.000 0.275 483 N C 0.959 176.200 175.510 -0.448 0.000 1.186 483 N CA 0.008 52.829 53.050 -0.382 0.000 0.978 483 N CB 1.665 39.930 38.487 -0.369 0.000 1.184 483 N HN 0.594 nan 8.380 nan 0.000 0.487 484 S N -0.574 115.016 115.700 -0.183 0.000 2.383 484 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 484 S C 1.859 176.366 174.600 -0.154 0.000 1.026 484 S CA 1.957 60.096 58.200 -0.102 0.000 0.981 484 S CB -0.247 62.937 63.200 -0.028 0.000 0.818 484 S HN 0.769 nan 8.310 nan 0.000 0.472 485 T N -0.117 114.333 114.554 -0.172 0.000 2.901 485 T HA 0.066 4.416 4.350 -0.000 0.000 0.252 485 T C 1.519 176.114 174.700 -0.175 0.000 1.035 485 T CA 1.427 63.445 62.100 -0.137 0.000 1.142 485 T CB -0.736 68.074 68.868 -0.097 0.000 0.869 485 T HN 0.464 nan 8.240 nan 0.000 0.442 486 N N 0.940 119.463 118.700 -0.294 0.000 2.205 486 N HA -0.029 4.711 4.740 -0.000 0.000 0.186 486 N C 0.729 176.084 175.510 -0.258 0.000 1.015 486 N CA 0.921 53.761 53.050 -0.350 0.000 0.862 486 N CB -0.293 37.674 38.487 -0.866 0.000 0.986 486 N HN 0.366 nan 8.380 nan 0.000 0.429 487 K N -1.304 118.785 120.400 -0.518 0.000 3.020 487 K HA -0.224 4.096 4.320 -0.000 0.000 0.266 487 K C -1.511 174.898 176.600 -0.319 0.000 1.067 487 K CA 1.038 57.034 56.287 -0.485 0.000 0.780 487 K CB -1.588 30.861 32.500 -0.085 0.000 1.220 487 K HN 0.634 nan 8.250 nan 0.000 0.483 488 Y N -2.758 117.175 120.300 -0.612 0.000 2.624 488 Y HA 0.579 5.129 4.550 -0.000 0.000 0.334 488 Y C -1.207 174.614 175.900 -0.132 0.000 1.155 488 Y CA -1.191 56.787 58.100 -0.204 0.000 1.046 488 Y CB 1.295 39.694 38.460 -0.103 0.000 1.316 488 Y HN 0.002 nan 8.280 nan 0.000 0.457 489 Q N 3.208 123.149 119.800 0.235 0.000 2.304 489 Q HA 0.695 5.035 4.340 -0.000 0.000 0.270 489 Q C -2.120 174.022 176.000 0.237 0.000 1.035 489 Q CA -1.022 54.877 55.803 0.160 0.000 0.781 489 Q CB 2.194 31.079 28.738 0.244 0.000 1.261 489 Q HN 0.875 nan 8.270 nan 0.000 0.444 490 L N 0.378 121.725 121.223 0.206 0.000 2.309 490 L HA 0.912 5.252 4.340 -0.000 0.000 0.261 490 L C -1.001 175.923 176.870 0.090 0.000 1.021 490 L CA -0.425 54.528 54.840 0.187 0.000 0.823 490 L CB 2.383 44.603 42.059 0.267 0.000 1.366 490 L HN 0.496 nan 8.230 nan 0.000 0.423 491 S N 0.576 116.306 115.700 0.049 0.000 2.588 491 S HA 0.823 5.293 4.470 -0.000 0.000 0.275 491 S C -0.832 173.648 174.600 -0.200 0.000 1.130 491 S CA -0.503 57.649 58.200 -0.079 0.000 0.855 491 S CB 1.649 64.875 63.200 0.044 0.000 1.116 491 S HN 0.589 nan 8.310 nan 0.000 0.472 492 I N 2.142 122.412 120.570 -0.500 0.000 2.465 492 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 492 I C -0.626 175.076 176.117 -0.691 0.000 1.014 492 I CA -0.497 60.427 61.300 -0.627 0.000 1.093 492 I CB 1.384 38.701 38.000 -1.139 0.000 1.267 492 I HN 0.499 nan 8.210 nan 0.000 0.431 493 H N 4.440 123.318 119.070 -0.320 0.000 2.717 493 H HA 0.348 4.904 4.556 0.000 0.000 0.366 493 H C -0.895 174.379 175.328 -0.091 0.000 1.132 493 H CA -0.804 55.127 56.048 -0.195 0.000 1.180 493 H CB 2.183 31.873 29.762 -0.121 0.000 1.678 493 H HN 0.553 nan 8.280 nan 0.000 0.537 494 E N 1.920 122.174 120.200 0.090 0.000 2.366 494 E HA -0.057 4.293 4.350 -0.000 0.000 0.266 494 E C 0.168 176.843 176.600 0.125 0.000 1.015 494 E CA -0.095 56.425 56.400 0.200 0.000 0.906 494 E CB 0.667 30.469 29.700 0.169 0.000 0.979 494 E HN 0.276 nan 8.360 nan 0.000 0.443 495 N N 2.822 121.581 118.700 0.099 0.000 2.497 495 N HA -0.060 4.680 4.740 -0.000 0.000 0.271 495 N C 0.768 176.284 175.510 0.011 0.000 1.142 495 N CA 0.042 53.106 53.050 0.024 0.000 0.965 495 N CB 0.868 39.349 38.487 -0.011 0.000 1.077 495 N HN 0.517 nan 8.380 nan 0.000 0.462 496 E N 2.515 122.709 120.200 -0.010 0.000 2.097 496 E HA -0.248 4.103 4.350 -0.000 0.000 0.196 496 E C 0.116 176.707 176.600 -0.015 0.000 1.000 496 E CA 1.059 57.451 56.400 -0.012 0.000 0.804 496 E CB -0.131 29.553 29.700 -0.026 0.000 0.740 496 E HN 0.465 nan 8.360 nan 0.000 0.454 497 K N 1.547 121.931 120.400 -0.026 0.000 2.405 497 K HA -0.024 4.296 4.320 -0.000 0.000 0.276 497 K C 0.263 176.850 176.600 -0.022 0.000 1.099 497 K CA 0.317 56.586 56.287 -0.029 0.000 1.120 497 K CB 0.467 32.943 32.500 -0.040 0.000 0.877 497 K HN 0.104 nan 8.250 nan 0.000 0.472 498 S N 2.279 117.968 115.700 -0.019 0.000 2.368 498 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 498 S C 1.592 176.179 174.600 -0.022 0.000 1.030 498 S CA 1.457 59.647 58.200 -0.016 0.000 0.999 498 S CB 0.036 63.228 63.200 -0.013 0.000 0.844 498 S HN 0.684 nan 8.310 nan 0.000 0.459 499 S N 1.018 116.704 115.700 -0.025 0.000 2.465 499 S HA -0.076 4.394 4.470 -0.000 0.000 0.241 499 S C 1.553 176.132 174.600 -0.036 0.000 1.000 499 S CA 0.969 59.152 58.200 -0.028 0.000 0.964 499 S CB -0.096 63.087 63.200 -0.028 0.000 0.763 499 S HN 0.549 nan 8.310 nan 0.000 0.512 500 E N -0.046 120.130 120.200 -0.039 0.000 2.357 500 E HA 0.182 4.532 4.350 -0.000 0.000 0.190 500 E C 0.862 177.434 176.600 -0.046 0.000 1.022 500 E CA 0.391 56.761 56.400 -0.050 0.000 1.068 500 E CB 0.044 29.710 29.700 -0.057 0.000 1.465 500 E HN 0.172 nan 8.360 nan 0.000 0.503 501 S N 0.270 115.951 115.700 -0.030 0.000 3.358 501 S HA -0.208 4.262 4.470 -0.000 0.000 0.309 501 S C 0.358 174.938 174.600 -0.033 0.000 1.247 501 S CA 0.845 59.039 58.200 -0.011 0.000 0.961 501 S CB -0.859 62.337 63.200 -0.007 0.000 1.074 501 S HN 0.254 nan 8.310 nan 0.000 0.625 502 R N -0.149 120.312 120.500 -0.066 0.000 2.527 502 R HA 0.382 4.722 4.340 -0.000 0.000 0.236 502 R C -0.332 175.991 176.300 0.038 0.000 1.257 502 R CA -0.162 55.847 56.100 -0.152 0.000 1.088 502 R CB 0.210 30.428 30.300 -0.137 0.000 1.396 502 R HN 0.515 nan 8.270 nan 0.000 0.571 503 Y N 0.715 121.004 120.300 -0.018 0.000 2.328 503 Y HA 0.303 4.853 4.550 -0.000 0.000 0.337 503 Y C 0.061 175.886 175.900 -0.125 0.000 1.008 503 Y CA -1.122 56.941 58.100 -0.062 0.000 1.129 503 Y CB 1.658 40.102 38.460 -0.027 0.000 1.185 503 Y HN 0.287 nan 8.280 nan 0.000 0.476 504 L N 5.261 126.506 121.223 0.037 0.000 2.317 504 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 504 L C -1.383 175.452 176.870 -0.060 0.000 1.024 504 L CA -0.833 53.976 54.840 -0.052 0.000 0.810 504 L CB 1.430 43.440 42.059 -0.083 0.000 1.240 504 L HN 0.560 nan 8.230 nan 0.000 0.427 505 L N 6.775 127.986 121.223 -0.020 0.000 2.296 505 L HA 0.746 5.086 4.340 -0.000 0.000 0.286 505 L C -0.983 175.948 176.870 0.102 0.000 1.023 505 L CA -0.417 54.429 54.840 0.011 0.000 0.812 505 L CB 1.575 43.677 42.059 0.071 0.000 1.223 505 L HN 0.468 nan 8.230 nan 0.000 0.421 506 V N 4.127 124.102 119.914 0.101 0.000 2.588 506 V HA 0.824 4.944 4.120 -0.000 0.000 0.304 506 V C -0.461 175.700 176.094 0.112 0.000 1.042 506 V CA -0.627 61.748 62.300 0.124 0.000 0.877 506 V CB 1.431 33.313 31.823 0.099 0.000 0.996 506 V HN 1.063 nan 8.190 nan 0.000 0.425 507 M N 3.718 123.372 119.600 0.090 0.000 2.575 507 M HA 0.885 5.365 4.480 -0.000 0.000 0.284 507 M C -1.351 174.942 176.300 -0.011 0.000 1.253 507 M CA -0.656 54.692 55.300 0.080 0.000 0.861 507 M CB 2.851 35.499 32.600 0.081 0.000 1.733 507 M HN 0.882 nan 8.290 nan 0.000 0.462 508 K N 0.943 121.328 120.400 -0.025 0.000 2.556 508 K HA 1.006 5.326 4.320 -0.000 0.000 0.274 508 K C -0.879 175.699 176.600 -0.037 0.000 0.966 508 K CA -0.538 55.594 56.287 -0.258 0.000 0.865 508 K CB 2.332 34.491 32.500 -0.567 0.000 1.444 508 K HN 1.222 nan 8.250 nan 0.000 0.433 509 G N 0.073 108.811 108.800 -0.102 0.000 2.344 509 G HA2 0.404 4.364 3.960 -0.000 0.000 0.282 509 G HA3 0.404 4.364 3.960 -0.000 0.000 0.282 509 G C -1.409 173.526 174.900 0.057 0.000 1.281 509 G CA -0.561 44.621 45.100 0.138 0.000 0.877 509 G HN 0.852 nan 8.290 nan 0.000 0.494 510 A N 0.791 123.689 122.820 0.131 0.000 2.572 510 A HA 0.460 4.780 4.320 -0.000 0.000 0.256 510 A C -0.632 176.964 177.584 0.021 0.000 1.041 510 A CA 0.871 52.954 52.037 0.077 0.000 0.790 510 A CB -0.202 18.860 19.000 0.104 0.000 0.947 510 A HN 0.354 nan 8.150 nan 0.000 0.518 511 P HA -0.184 nan 4.420 nan 0.000 0.216 511 P C 1.243 178.610 177.300 0.112 0.000 1.150 511 P CA 1.322 64.397 63.100 -0.042 0.000 0.843 511 P CB 0.212 31.582 31.700 -0.550 0.000 0.787 512 E N -0.710 119.528 120.200 0.063 0.000 2.106 512 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 512 E C 2.083 178.726 176.600 0.072 0.000 0.984 512 E CA 0.916 57.411 56.400 0.158 0.000 0.806 512 E CB -0.298 29.514 29.700 0.186 0.000 0.750 512 E HN 0.268 nan 8.360 nan 0.000 0.458 513 R N 0.336 120.867 120.500 0.052 0.000 2.153 513 R HA 0.009 4.349 4.340 -0.000 0.000 0.218 513 R C 2.148 178.431 176.300 -0.028 0.000 1.072 513 R CA 0.399 56.510 56.100 0.017 0.000 0.990 513 R CB -0.107 30.217 30.300 0.041 0.000 0.889 513 R HN 0.179 nan 8.270 nan 0.000 0.452 514 I N 0.693 121.267 120.570 0.007 0.000 2.617 514 I HA -0.148 4.022 4.170 -0.000 0.000 0.256 514 I C 2.206 178.354 176.117 0.051 0.000 1.167 514 I CA 0.715 62.024 61.300 0.015 0.000 1.469 514 I CB -0.687 37.356 38.000 0.072 0.000 1.098 514 I HN 0.107 nan 8.210 nan 0.000 0.436 515 L N 0.663 121.864 121.223 -0.037 0.000 2.270 515 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 515 L C 1.739 178.527 176.870 -0.136 0.000 1.104 515 L CA 1.354 56.067 54.840 -0.212 0.000 0.804 515 L CB -0.470 41.236 42.059 -0.589 0.000 0.937 515 L HN 0.238 nan 8.230 nan 0.000 0.450 516 D N -0.042 120.308 120.400 -0.083 0.000 2.392 516 D HA -0.162 4.478 4.640 -0.000 0.000 0.228 516 D C 1.271 177.524 176.300 -0.078 0.000 1.003 516 D CA 0.746 54.708 54.000 -0.065 0.000 0.917 516 D CB 0.200 40.978 40.800 -0.038 0.000 0.890 516 D HN 0.173 nan 8.370 nan 0.000 0.532 517 R N -0.682 119.764 120.500 -0.089 0.000 2.690 517 R HA 0.321 4.661 4.340 -0.000 0.000 0.419 517 R C -0.992 175.262 176.300 -0.077 0.000 1.090 517 R CA -0.383 55.651 56.100 -0.111 0.000 1.064 517 R CB 0.475 30.663 30.300 -0.187 0.000 1.391 517 R HN 0.120 nan 8.270 nan 0.000 0.586 518 C N -0.250 119.023 119.300 -0.045 0.000 2.634 518 C HA 0.368 4.828 4.460 -0.000 0.000 0.313 518 C C 1.529 176.515 174.990 -0.007 0.000 1.198 518 C CA -0.468 58.551 59.018 0.002 0.000 1.605 518 C CB 2.055 29.836 27.740 0.068 0.000 2.196 518 C HN 0.561 nan 8.230 nan 0.000 0.486 519 S N 0.207 115.923 115.700 0.026 0.000 2.613 519 S HA 0.192 4.662 4.470 -0.000 0.000 0.235 519 S C 0.392 175.028 174.600 0.059 0.000 1.073 519 S CA 0.075 58.294 58.200 0.032 0.000 0.899 519 S CB 0.005 63.228 63.200 0.039 0.000 0.818 519 S HN 0.820 nan 8.310 nan 0.000 0.484 520 T N 0.717 115.329 114.554 0.097 0.000 2.864 520 T HA 0.789 5.139 4.350 -0.000 0.000 0.289 520 T C -0.962 173.824 174.700 0.142 0.000 1.082 520 T CA -0.840 61.328 62.100 0.113 0.000 1.009 520 T CB 1.643 70.592 68.868 0.135 0.000 1.234 520 T HN 0.226 nan 8.240 nan 0.000 0.526 521 I N 1.126 121.776 120.570 0.135 0.000 2.529 521 I HA 0.280 4.450 4.170 -0.000 0.000 0.284 521 I C -0.720 175.472 176.117 0.125 0.000 1.088 521 I CA -0.812 60.588 61.300 0.166 0.000 1.062 521 I CB 2.062 40.153 38.000 0.152 0.000 1.218 521 I HN 0.522 nan 8.210 nan 0.000 0.442 522 L N 7.022 128.310 121.223 0.109 0.000 2.617 522 L HA 0.155 4.495 4.340 -0.000 0.000 0.282 522 L C -0.484 176.429 176.870 0.072 0.000 1.174 522 L CA -0.139 54.745 54.840 0.073 0.000 1.016 522 L CB 0.122 42.197 42.059 0.026 0.000 1.337 522 L HN 0.477 nan 8.230 nan 0.000 0.460 523 L N 5.089 126.354 121.223 0.070 0.000 2.257 523 L HA 0.305 4.645 4.340 -0.000 0.000 0.290 523 L C 0.890 177.795 176.870 0.059 0.000 1.044 523 L CA 0.192 55.068 54.840 0.061 0.000 0.810 523 L CB 0.658 42.748 42.059 0.052 0.000 1.193 523 L HN 0.700 nan 8.230 nan 0.000 0.425 524 N N 3.773 122.517 118.700 0.073 0.000 2.696 524 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 524 N C 0.894 176.436 175.510 0.053 0.000 1.090 524 N CA 0.796 53.888 53.050 0.070 0.000 0.716 524 N CB -0.588 37.931 38.487 0.054 0.000 1.020 524 N HN 1.245 nan 8.380 nan 0.000 0.548 525 G N -2.079 106.752 108.800 0.051 0.000 2.436 525 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.204 525 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.204 525 G C -0.067 174.857 174.900 0.040 0.000 1.026 525 G CA 0.120 45.243 45.100 0.038 0.000 0.658 525 G HN 0.881 nan 8.290 nan 0.000 0.499 526 A N 0.729 123.575 122.820 0.043 0.000 2.330 526 A HA 0.766 5.086 4.320 -0.000 0.000 0.327 526 A C 0.238 177.856 177.584 0.056 0.000 1.155 526 A CA -0.161 51.901 52.037 0.043 0.000 0.803 526 A CB 0.880 19.901 19.000 0.035 0.000 1.208 526 A HN 0.406 nan 8.150 nan 0.000 0.477 527 E N 0.446 120.684 120.200 0.064 0.000 2.470 527 E HA 0.295 4.645 4.350 -0.000 0.000 0.258 527 E C -0.178 176.463 176.600 0.068 0.000 1.295 527 E CA 0.248 56.696 56.400 0.079 0.000 1.032 527 E CB 0.488 30.241 29.700 0.088 0.000 0.980 527 E HN 0.683 nan 8.360 nan 0.000 0.500 528 E N 0.282 120.526 120.200 0.075 0.000 2.552 528 E HA 0.124 4.474 4.350 -0.000 0.000 0.297 528 E C -2.805 173.834 176.600 0.065 0.000 1.038 528 E CA -1.557 54.881 56.400 0.064 0.000 0.856 528 E CB 1.352 31.088 29.700 0.061 0.000 1.222 528 E HN 0.104 nan 8.360 nan 0.000 0.422 529 P HA -0.066 nan 4.420 nan 0.000 0.264 529 P C 0.025 177.350 177.300 0.043 0.000 1.179 529 P CA 0.171 63.299 63.100 0.047 0.000 0.763 529 P CB 0.495 32.218 31.700 0.038 0.000 0.806 530 L N 3.145 124.386 121.223 0.031 0.000 2.480 530 L HA 0.053 4.393 4.340 -0.000 0.000 0.243 530 L C 1.321 178.197 176.870 0.009 0.000 1.315 530 L CA -0.616 54.231 54.840 0.012 0.000 1.231 530 L CB -0.439 41.609 42.059 -0.018 0.000 1.444 530 L HN 0.331 nan 8.230 nan 0.000 0.409 531 K N 1.195 121.610 120.400 0.025 0.000 2.436 531 K HA -0.122 4.198 4.320 -0.000 0.000 0.275 531 K C 0.611 177.225 176.600 0.024 0.000 0.999 531 K CA 0.043 56.346 56.287 0.025 0.000 0.980 531 K CB 0.841 33.361 32.500 0.033 0.000 0.919 531 K HN 0.429 nan 8.250 nan 0.000 0.484 532 E N 1.363 121.574 120.200 0.019 0.000 2.333 532 E HA -0.280 4.070 4.350 -0.000 0.000 0.200 532 E C 1.013 177.633 176.600 0.034 0.000 1.010 532 E CA 1.072 57.484 56.400 0.021 0.000 0.841 532 E CB 0.151 29.861 29.700 0.017 0.000 0.757 532 E HN 0.679 nan 8.360 nan 0.000 0.508 533 D N -0.125 120.299 120.400 0.039 0.000 2.097 533 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 533 D C 1.741 178.087 176.300 0.077 0.000 0.989 533 D CA 1.041 55.072 54.000 0.051 0.000 0.827 533 D CB 0.180 41.010 40.800 0.050 0.000 0.966 533 D HN 0.235 nan 8.370 nan 0.000 0.456 534 M N 0.473 120.126 119.600 0.088 0.000 2.288 534 M HA -0.024 4.456 4.480 -0.000 0.000 0.266 534 M C 2.003 178.382 176.300 0.130 0.000 1.072 534 M CA 0.666 56.051 55.300 0.142 0.000 1.132 534 M CB -0.783 31.901 32.600 0.140 0.000 1.386 534 M HN -0.091 nan 8.290 nan 0.000 0.432 535 K N 0.173 120.608 120.400 0.059 0.000 2.589 535 K HA -0.180 4.140 4.320 -0.000 0.000 0.195 535 K C 1.622 178.302 176.600 0.133 0.000 1.040 535 K CA 1.014 57.325 56.287 0.039 0.000 0.950 535 K CB 0.197 32.698 32.500 0.001 0.000 0.781 535 K HN 0.376 nan 8.250 nan 0.000 0.486 536 E N -1.891 118.373 120.200 0.107 0.000 2.414 536 E HA 0.109 4.459 4.350 -0.000 0.000 0.208 536 E C 1.447 178.056 176.600 0.016 0.000 0.820 536 E CA 0.320 56.758 56.400 0.062 0.000 1.143 536 E CB 0.219 29.941 29.700 0.036 0.000 1.150 536 E HN 0.278 nan 8.360 nan 0.000 0.540 537 A N 0.835 123.695 122.820 0.066 0.000 1.969 537 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 537 A C 1.858 179.321 177.584 -0.203 0.000 1.169 537 A CA 0.985 53.056 52.037 0.057 0.000 0.635 537 A CB -0.690 18.459 19.000 0.249 0.000 0.810 537 A HN 0.479 nan 8.150 nan 0.000 0.445 538 F N 0.320 120.020 119.950 -0.417 0.000 2.060 538 F HA -0.184 4.343 4.527 -0.000 0.000 0.295 538 F C 2.305 177.799 175.800 -0.509 0.000 1.120 538 F CA 2.139 59.597 58.000 -0.904 0.000 1.205 538 F CB -0.335 38.358 39.000 -0.511 0.000 0.986 538 F HN 0.143 nan 8.300 nan 0.000 0.470 539 Q N 1.046 120.617 119.800 -0.380 0.000 2.234 539 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 539 Q C 1.855 177.635 176.000 -0.366 0.000 0.980 539 Q CA 1.404 56.978 55.803 -0.382 0.000 0.869 539 Q CB -0.707 28.011 28.738 -0.033 0.000 0.912 539 Q HN 0.528 nan 8.270 nan 0.000 0.436 540 N N 0.463 118.973 118.700 -0.316 0.000 2.051 540 N HA -0.119 4.621 4.740 -0.000 0.000 0.192 540 N C 1.685 176.982 175.510 -0.355 0.000 1.049 540 N CA 1.629 54.517 53.050 -0.271 0.000 0.845 540 N CB -0.689 37.687 38.487 -0.185 0.000 1.031 540 N HN 0.229 nan 8.380 nan 0.000 0.425 541 A N 0.823 123.328 122.820 -0.524 0.000 1.884 541 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 541 A C 2.218 179.580 177.584 -0.370 0.000 1.197 541 A CA 1.771 53.473 52.037 -0.559 0.000 0.637 541 A CB -1.324 16.941 19.000 -1.224 0.000 0.827 541 A HN 0.462 nan 8.150 nan 0.000 0.450 542 Y N 0.543 120.440 120.300 -0.672 0.000 2.151 542 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 542 Y C 1.972 177.688 175.900 -0.307 0.000 1.166 542 Y CA 1.675 59.471 58.100 -0.507 0.000 1.163 542 Y CB -0.560 37.428 38.460 -0.786 0.000 0.974 542 Y HN 0.242 nan 8.280 nan 0.000 0.511 543 L N -0.148 120.822 121.223 -0.422 0.000 2.217 543 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 543 L C 2.494 179.213 176.870 -0.252 0.000 1.107 543 L CA 1.574 56.169 54.840 -0.408 0.000 0.783 543 L CB -0.511 41.347 42.059 -0.334 0.000 0.919 543 L HN 0.293 nan 8.230 nan 0.000 0.442 544 E N 0.891 120.967 120.200 -0.206 0.000 2.028 544 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 544 E C 2.404 178.927 176.600 -0.128 0.000 0.984 544 E CA 0.840 57.147 56.400 -0.155 0.000 0.800 544 E CB 0.034 29.643 29.700 -0.151 0.000 0.758 544 E HN 0.398 nan 8.360 nan 0.000 0.448 545 L N 0.469 121.629 121.223 -0.104 0.000 2.042 545 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 545 L C 2.686 179.551 176.870 -0.009 0.000 1.076 545 L CA 1.304 56.119 54.840 -0.041 0.000 0.749 545 L CB -0.767 41.321 42.059 0.048 0.000 0.893 545 L HN 0.337 nan 8.230 nan 0.000 0.432 546 G N -0.444 108.334 108.800 -0.036 0.000 2.450 546 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 546 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 546 G C 1.530 176.389 174.900 -0.069 0.000 1.130 546 G CA 0.787 45.854 45.100 -0.055 0.000 0.760 546 G HN 0.515 nan 8.290 nan 0.000 0.557 547 G N 0.361 109.107 108.800 -0.091 0.000 2.494 547 G HA2 0.010 3.970 3.960 -0.000 0.000 0.216 547 G HA3 0.010 3.970 3.960 -0.000 0.000 0.216 547 G C 1.403 176.274 174.900 -0.048 0.000 1.140 547 G CA 0.064 45.118 45.100 -0.077 0.000 0.801 547 G HN 0.285 nan 8.290 nan 0.000 0.536 548 L N 1.275 122.473 121.223 -0.042 0.000 2.642 548 L HA 0.157 4.497 4.340 -0.000 0.000 0.236 548 L C 2.168 179.045 176.870 0.012 0.000 1.169 548 L CA 0.845 55.676 54.840 -0.015 0.000 0.851 548 L CB -1.016 41.034 42.059 -0.015 0.000 0.968 548 L HN 0.446 nan 8.230 nan 0.000 0.453 549 G N -0.545 108.258 108.800 0.006 0.000 2.147 549 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 549 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 549 G C 0.341 175.264 174.900 0.039 0.000 1.005 549 G CA 0.194 45.304 45.100 0.018 0.000 0.713 549 G HN 0.453 nan 8.290 nan 0.000 0.515 550 E N -0.059 120.173 120.200 0.055 0.000 2.242 550 E HA 0.454 4.804 4.350 -0.000 0.000 0.275 550 E C 0.522 177.178 176.600 0.093 0.000 1.002 550 E CA -0.878 55.572 56.400 0.083 0.000 0.841 550 E CB 1.109 30.884 29.700 0.124 0.000 1.109 550 E HN 0.214 nan 8.360 nan 0.000 0.394 551 R N 1.353 121.908 120.500 0.093 0.000 2.340 551 R HA 0.235 4.575 4.340 -0.000 0.000 0.300 551 R C -0.646 175.734 176.300 0.135 0.000 1.069 551 R CA -0.263 55.897 56.100 0.100 0.000 0.984 551 R CB 0.733 31.075 30.300 0.070 0.000 1.003 551 R HN 0.258 nan 8.270 nan 0.000 0.459 552 V N 4.957 124.966 119.914 0.158 0.000 2.495 552 V HA 0.496 4.616 4.120 -0.000 0.000 0.298 552 V C 0.016 176.180 176.094 0.116 0.000 1.031 552 V CA -0.875 61.532 62.300 0.177 0.000 0.871 552 V CB 1.808 33.774 31.823 0.238 0.000 0.988 552 V HN 0.571 nan 8.190 nan 0.000 0.432 553 L N 3.181 124.501 121.223 0.161 0.000 2.381 553 L HA 0.812 5.152 4.340 -0.000 0.000 0.268 553 L C 0.592 177.506 176.870 0.074 0.000 0.997 553 L CA -0.510 54.355 54.840 0.042 0.000 0.818 553 L CB 2.268 44.303 42.059 -0.040 0.000 1.310 553 L HN 0.832 nan 8.230 nan 0.000 0.416 554 G N 1.350 110.091 108.800 -0.099 0.000 2.389 554 G HA2 0.670 4.630 3.960 -0.000 0.000 0.317 554 G HA3 0.670 4.630 3.960 -0.000 0.000 0.317 554 G C -1.336 173.306 174.900 -0.430 0.000 1.137 554 G CA -0.161 44.949 45.100 0.017 0.000 0.870 554 G HN 0.277 nan 8.290 nan 0.000 0.496 555 F N 0.309 120.088 119.950 -0.286 0.000 2.556 555 F HA 0.606 5.133 4.527 0.000 0.000 0.314 555 F C 0.456 175.924 175.800 -0.554 0.000 1.106 555 F CA -0.846 56.959 58.000 -0.326 0.000 0.911 555 F CB 2.193 41.038 39.000 -0.259 0.000 1.190 555 F HN 0.765 nan 8.300 nan 0.000 0.448 556 C N 1.479 120.676 119.300 -0.171 0.000 3.285 556 C HA 0.861 5.321 4.460 -0.000 0.000 0.325 556 C C -1.160 173.819 174.990 -0.019 0.000 1.304 556 C CA -0.573 58.338 59.018 -0.179 0.000 1.319 556 C CB 1.541 29.226 27.740 -0.091 0.000 1.640 556 C HN 1.122 nan 8.230 nan 0.000 0.477 557 H N -0.316 118.773 119.070 0.031 0.000 2.943 557 H HA 0.861 5.417 4.556 -0.000 0.000 0.323 557 H C -2.123 173.323 175.328 0.196 0.000 1.296 557 H CA -1.056 55.036 56.048 0.074 0.000 1.155 557 H CB 1.900 31.673 29.762 0.018 0.000 1.882 557 H HN 0.782 nan 8.280 nan 0.000 0.553 558 F N 1.045 121.081 119.950 0.142 0.000 2.689 558 F HA 0.495 5.022 4.527 0.000 0.000 0.332 558 F C -1.186 174.574 175.800 -0.067 0.000 1.209 558 F CA -0.493 57.536 58.000 0.049 0.000 1.028 558 F CB 1.717 40.750 39.000 0.055 0.000 1.291 558 F HN 0.868 nan 8.300 nan 0.000 0.500 559 A N 7.425 129.932 122.820 -0.521 0.000 2.544 559 A HA 0.437 4.757 4.320 -0.000 0.000 0.301 559 A C -0.151 177.080 177.584 -0.588 0.000 1.368 559 A CA -0.241 51.522 52.037 -0.457 0.000 1.045 559 A CB -0.653 18.123 19.000 -0.373 0.000 1.129 559 A HN 0.788 nan 8.150 nan 0.000 0.540 560 L N 4.406 125.458 121.223 -0.285 0.000 2.514 560 L HA 0.130 4.470 4.340 -0.000 0.000 0.280 560 L C -1.560 175.308 176.870 -0.004 0.000 1.223 560 L CA -1.152 53.638 54.840 -0.084 0.000 0.864 560 L CB 0.479 42.531 42.059 -0.010 0.000 1.118 560 L HN 0.494 nan 8.230 nan 0.000 0.494 561 P HA -0.009 nan 4.420 nan 0.000 0.269 561 P C 0.243 177.646 177.300 0.171 0.000 1.263 561 P CA -0.162 63.020 63.100 0.138 0.000 0.813 561 P CB 0.396 32.205 31.700 0.183 0.000 0.868 562 E N 3.044 123.273 120.200 0.047 0.000 2.219 562 E HA -0.268 4.082 4.350 -0.000 0.000 0.198 562 E C 0.292 176.862 176.600 -0.051 0.000 0.998 562 E CA 1.274 57.671 56.400 -0.004 0.000 0.818 562 E CB -0.429 29.237 29.700 -0.057 0.000 0.741 562 E HN 0.358 nan 8.360 nan 0.000 0.477 563 D N 2.096 122.457 120.400 -0.065 0.000 2.092 563 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 563 D C 1.584 177.763 176.300 -0.203 0.000 0.994 563 D CA 1.552 55.491 54.000 -0.102 0.000 0.828 563 D CB -0.247 40.508 40.800 -0.076 0.000 0.963 563 D HN 0.347 nan 8.370 nan 0.000 0.450 564 K N -0.635 119.544 120.400 -0.369 0.000 2.525 564 K HA 0.014 4.333 4.320 -0.000 0.000 0.192 564 K C -0.147 175.680 176.600 -1.287 0.000 1.029 564 K CA 0.292 56.130 56.287 -0.748 0.000 1.029 564 K CB 0.137 32.092 32.500 -0.908 0.000 0.814 564 K HN 0.273 nan 8.250 nan 0.000 0.503 565 Y N 0.600 120.663 120.300 -0.396 0.000 2.609 565 Y HA 0.229 4.779 4.550 -0.000 0.000 0.350 565 Y C -0.035 175.726 175.900 -0.231 0.000 1.050 565 Y CA -1.373 56.354 58.100 -0.623 0.000 1.290 565 Y CB 0.270 38.484 38.460 -0.411 0.000 1.094 565 Y HN -0.098 nan 8.280 nan 0.000 0.583 566 N N 1.442 120.174 118.700 0.052 0.000 2.174 566 N HA -0.134 4.606 4.740 -0.000 0.000 0.215 566 N C 1.540 177.037 175.510 -0.022 0.000 1.322 566 N CA 0.519 53.599 53.050 0.050 0.000 0.880 566 N CB 0.668 39.225 38.487 0.118 0.000 1.090 566 N HN 0.738 nan 8.380 nan 0.000 0.436 567 E N -0.142 120.032 120.200 -0.043 0.000 2.110 567 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 567 E C 1.092 177.754 176.600 0.103 0.000 0.988 567 E CA 1.545 57.908 56.400 -0.063 0.000 0.804 567 E CB -0.466 29.218 29.700 -0.026 0.000 0.745 567 E HN 0.679 nan 8.360 nan 0.000 0.458 568 G N -0.999 107.885 108.800 0.140 0.000 3.690 568 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.283 568 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.283 568 G C -0.591 174.424 174.900 0.192 0.000 1.057 568 G CA -0.466 44.739 45.100 0.175 0.000 0.821 568 G HN 0.250 nan 8.290 nan 0.000 0.526 569 Y N 3.010 123.395 120.300 0.142 0.000 2.717 569 Y HA 0.287 4.837 4.550 0.000 0.000 0.330 569 Y C -1.800 174.060 175.900 -0.067 0.000 1.217 569 Y CA -1.608 56.515 58.100 0.038 0.000 1.506 569 Y CB 0.852 39.345 38.460 0.056 0.000 1.268 569 Y HN 0.065 nan 8.280 nan 0.000 0.561 570 P HA 0.251 nan 4.420 nan 0.000 0.288 570 P C -1.522 175.351 177.300 -0.713 0.000 1.267 570 P CA -0.016 62.769 63.100 -0.524 0.000 0.815 570 P CB 0.978 32.448 31.700 -0.384 0.000 0.989 571 F N 0.662 120.577 119.950 -0.058 0.000 2.556 571 F HA 0.391 4.918 4.527 -0.000 0.000 0.327 571 F C 0.539 176.433 175.800 0.157 0.000 1.059 571 F CA -0.281 57.775 58.000 0.094 0.000 0.953 571 F CB 1.705 40.620 39.000 -0.141 0.000 1.227 571 F HN 0.177 nan 8.300 nan 0.000 0.478 572 D N 0.942 121.712 120.400 0.617 0.000 2.440 572 D HA 0.447 5.087 4.640 -0.000 0.000 0.252 572 D C 0.123 176.688 176.300 0.442 0.000 1.180 572 D CA -0.272 53.957 54.000 0.382 0.000 0.894 572 D CB 1.520 42.449 40.800 0.215 0.000 1.111 572 D HN 0.568 nan 8.370 nan 0.000 0.544 573 A N 3.274 126.284 122.820 0.317 0.000 2.235 573 A HA 0.007 4.327 4.320 -0.000 0.000 0.208 573 A C 1.389 179.035 177.584 0.104 0.000 1.172 573 A CA 0.544 52.727 52.037 0.243 0.000 0.786 573 A CB 0.102 19.195 19.000 0.155 0.000 0.804 573 A HN 0.513 nan 8.150 nan 0.000 0.479 574 D N -0.112 120.335 120.400 0.079 0.000 2.259 574 D HA 0.052 4.692 4.640 -0.000 0.000 0.216 574 D C 0.070 176.370 176.300 0.001 0.000 0.961 574 D CA 0.798 54.816 54.000 0.030 0.000 0.878 574 D CB 0.273 41.090 40.800 0.029 0.000 1.009 574 D HN 0.572 nan 8.370 nan 0.000 0.490 575 E N 0.702 120.901 120.200 -0.001 0.000 2.260 575 E HA 0.277 4.627 4.350 -0.000 0.000 0.266 575 E C -2.623 173.912 176.600 -0.108 0.000 0.887 575 E CA -2.025 54.349 56.400 -0.042 0.000 0.777 575 E CB 2.596 32.285 29.700 -0.017 0.000 1.205 575 E HN -0.228 nan 8.360 nan 0.000 0.414 576 P HA -0.117 nan 4.420 nan 0.000 0.225 576 P C -0.020 177.086 177.300 -0.323 0.000 1.054 576 P CA 0.491 63.291 63.100 -0.500 0.000 1.244 576 P CB -0.195 31.308 31.700 -0.329 0.000 1.310 577 N N 2.650 121.231 118.700 -0.198 0.000 2.485 577 N HA 0.025 4.765 4.740 -0.000 0.000 0.199 577 N C -0.440 175.420 175.510 0.584 0.000 1.236 577 N CA -0.006 53.205 53.050 0.268 0.000 0.852 577 N CB -0.535 38.219 38.487 0.445 0.000 1.018 577 N HN 0.258 nan 8.380 nan 0.000 0.457 578 F N -3.219 116.923 119.950 0.321 0.000 2.741 578 F HA 0.551 5.078 4.527 0.000 0.000 0.311 578 F C -2.863 173.048 175.800 0.184 0.000 1.149 578 F CA -2.189 56.019 58.000 0.346 0.000 0.930 578 F CB 0.150 39.376 39.000 0.376 0.000 1.312 578 F HN -0.255 nan 8.300 nan 0.000 0.450 579 P HA 0.227 nan 4.420 nan 0.000 0.276 579 P C -0.013 177.301 177.300 0.023 0.000 1.230 579 P CA -0.153 62.995 63.100 0.079 0.000 0.776 579 P CB 1.475 33.177 31.700 0.003 0.000 0.888 580 T N -2.157 112.354 114.554 -0.071 0.000 3.170 580 T HA 0.210 4.560 4.350 -0.000 0.000 0.288 580 T C 0.275 174.874 174.700 -0.169 0.000 0.992 580 T CA -0.150 61.889 62.100 -0.101 0.000 0.909 580 T CB -0.279 68.540 68.868 -0.082 0.000 1.133 580 T HN 0.348 nan 8.240 nan 0.000 0.530 581 T N 1.968 116.418 114.554 -0.173 0.000 2.916 581 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 581 T C -1.301 173.270 174.700 -0.215 0.000 1.055 581 T CA -0.533 61.468 62.100 -0.165 0.000 1.009 581 T CB 1.417 70.218 68.868 -0.112 0.000 1.118 581 T HN 0.120 nan 8.240 nan 0.000 0.497 582 D N 1.321 121.626 120.400 -0.158 0.000 2.848 582 D HA -0.121 4.519 4.640 -0.000 0.000 0.245 582 D C -0.613 175.568 176.300 -0.199 0.000 1.122 582 D CA 0.649 54.568 54.000 -0.134 0.000 0.769 582 D CB -1.235 39.503 40.800 -0.104 0.000 1.025 582 D HN 0.363 nan 8.370 nan 0.000 0.423 583 L N -0.762 120.392 121.223 -0.114 0.000 2.304 583 L HA 0.527 4.867 4.340 -0.000 0.000 0.268 583 L C 0.835 177.800 176.870 0.159 0.000 1.010 583 L CA -1.087 53.748 54.840 -0.008 0.000 0.813 583 L CB 1.782 43.820 42.059 -0.035 0.000 1.315 583 L HN 0.274 nan 8.230 nan 0.000 0.445 584 C N 1.594 121.064 119.300 0.282 0.000 2.349 584 C HA 0.333 4.793 4.460 -0.000 0.000 0.348 584 C C 0.258 175.329 174.990 0.136 0.000 1.223 584 C CA -0.795 58.359 59.018 0.227 0.000 1.746 584 C CB -1.479 26.425 27.740 0.274 0.000 2.360 584 C HN 0.521 nan 8.230 nan 0.000 0.533 585 F N 5.853 125.814 119.950 0.017 0.000 2.538 585 F HA 0.349 4.876 4.527 -0.000 0.000 0.371 585 F C 0.712 176.508 175.800 -0.007 0.000 1.087 585 F CA 0.255 58.258 58.000 0.006 0.000 1.250 585 F CB 0.985 39.989 39.000 0.007 0.000 1.110 585 F HN 0.504 nan 8.300 nan 0.000 0.570 586 V N 4.129 123.775 119.914 -0.447 0.000 3.013 586 V HA 0.491 4.611 4.120 -0.000 0.000 0.238 586 V C 0.933 176.937 176.094 -0.149 0.000 1.161 586 V CA 0.639 62.776 62.300 -0.272 0.000 1.170 586 V CB -0.013 31.550 31.823 -0.433 0.000 0.917 586 V HN 1.026 nan 8.190 nan 0.000 0.478 587 G N -0.657 107.918 108.800 -0.374 0.000 2.430 587 G HA2 0.548 4.508 3.960 -0.000 0.000 0.300 587 G HA3 0.548 4.508 3.960 -0.000 0.000 0.300 587 G C -2.174 172.953 174.900 0.378 0.000 1.330 587 G CA -0.660 44.547 45.100 0.178 0.000 0.813 587 G HN 0.056 nan 8.290 nan 0.000 0.487 588 L N 0.020 121.660 121.223 0.694 0.000 2.354 588 L HA 0.770 5.110 4.340 -0.000 0.000 0.269 588 L C -0.184 176.993 176.870 0.512 0.000 1.005 588 L CA -0.777 54.481 54.840 0.697 0.000 0.819 588 L CB 2.262 44.772 42.059 0.752 0.000 1.311 588 L HN 0.408 nan 8.230 nan 0.000 0.423 589 M N 2.146 122.048 119.600 0.504 0.000 2.393 589 M HA 0.647 5.127 4.480 -0.000 0.000 0.299 589 M C -0.972 175.524 176.300 0.327 0.000 1.103 589 M CA -0.452 55.053 55.300 0.341 0.000 0.910 589 M CB 2.526 35.217 32.600 0.151 0.000 1.659 589 M HN 0.640 nan 8.290 nan 0.000 0.445 590 A N 5.082 128.055 122.820 0.256 0.000 2.355 590 A HA 0.978 5.298 4.320 -0.000 0.000 0.317 590 A C -0.781 176.895 177.584 0.153 0.000 1.094 590 A CA -0.779 51.388 52.037 0.217 0.000 0.764 590 A CB 1.398 20.544 19.000 0.243 0.000 1.230 590 A HN 0.952 nan 8.150 nan 0.000 0.448 591 M N 2.043 121.716 119.600 0.121 0.000 2.619 591 M HA 0.902 5.382 4.480 -0.000 0.000 0.297 591 M C -1.322 175.015 176.300 0.062 0.000 1.229 591 M CA -0.680 54.663 55.300 0.073 0.000 0.860 591 M CB 2.065 34.702 32.600 0.062 0.000 1.741 591 M HN 0.680 nan 8.290 nan 0.000 0.462 592 I N 0.869 121.461 120.570 0.036 0.000 2.908 592 I HA 0.285 4.455 4.170 -0.000 0.000 0.300 592 I C -1.666 174.457 176.117 0.010 0.000 1.385 592 I CA -0.422 60.896 61.300 0.029 0.000 1.004 592 I CB 2.625 40.647 38.000 0.037 0.000 1.309 592 I HN 0.940 nan 8.210 nan 0.000 0.449 593 D N 7.877 128.281 120.400 0.007 0.000 2.367 593 D HA 0.259 4.899 4.640 -0.000 0.000 0.255 593 D C -2.333 173.959 176.300 -0.014 0.000 1.300 593 D CA -1.503 52.494 54.000 -0.005 0.000 0.959 593 D CB 0.601 41.397 40.800 -0.006 0.000 1.064 593 D HN 0.118 nan 8.370 nan 0.000 0.509 594 P HA 0.365 nan 4.420 nan 0.000 0.281 594 P C -2.805 174.472 177.300 -0.039 0.000 1.264 594 P CA -1.947 61.137 63.100 -0.027 0.000 0.824 594 P CB 0.471 32.152 31.700 -0.032 0.000 1.092 595 P HA 0.173 nan 4.420 nan 0.000 0.269 595 P C 0.142 177.406 177.300 -0.061 0.000 1.215 595 P CA 0.106 63.163 63.100 -0.071 0.000 0.780 595 P CB 0.362 32.018 31.700 -0.073 0.000 0.898 596 R N 1.602 122.057 120.500 -0.075 0.000 2.734 596 R HA 0.173 4.513 4.340 -0.000 0.000 0.266 596 R C 1.594 177.874 176.300 -0.034 0.000 1.044 596 R CA 0.075 56.148 56.100 -0.045 0.000 1.128 596 R CB 0.027 30.306 30.300 -0.036 0.000 1.010 596 R HN 0.497 nan 8.270 nan 0.000 0.461 597 A N 2.346 125.159 122.820 -0.011 0.000 1.873 597 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 597 A C 1.899 179.486 177.584 0.004 0.000 1.193 597 A CA 2.169 54.203 52.037 -0.005 0.000 0.629 597 A CB -0.692 18.309 19.000 0.002 0.000 0.826 597 A HN 0.799 nan 8.150 nan 0.000 0.447 598 A N -1.145 121.690 122.820 0.025 0.000 2.251 598 A HA 0.404 4.724 4.320 -0.000 0.000 0.209 598 A C 1.874 179.498 177.584 0.067 0.000 1.187 598 A CA 0.757 52.823 52.037 0.048 0.000 0.823 598 A CB -0.399 18.640 19.000 0.066 0.000 0.846 598 A HN 0.278 nan 8.150 nan 0.000 0.486 599 V N 0.960 120.880 119.914 0.009 0.000 2.261 599 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 599 V C -0.135 175.933 176.094 -0.043 0.000 1.047 599 V CA 2.568 64.820 62.300 -0.079 0.000 1.015 599 V CB -1.132 30.505 31.823 -0.309 0.000 0.642 599 V HN 0.355 nan 8.190 nan 0.000 0.446 600 P HA -0.195 nan 4.420 nan 0.000 0.216 600 P C 1.280 178.591 177.300 0.017 0.000 1.157 600 P CA 1.988 65.077 63.100 -0.018 0.000 0.880 600 P CB -0.011 31.679 31.700 -0.016 0.000 0.791 601 D N -1.101 119.317 120.400 0.030 0.000 2.097 601 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 601 D C 1.962 178.303 176.300 0.069 0.000 0.989 601 D CA 1.384 55.408 54.000 0.041 0.000 0.827 601 D CB -0.677 40.144 40.800 0.036 0.000 0.966 601 D HN -0.044 nan 8.370 nan 0.000 0.456 602 A N -0.131 122.758 122.820 0.115 0.000 1.917 602 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 602 A C 2.481 180.177 177.584 0.186 0.000 1.182 602 A CA 1.768 53.914 52.037 0.183 0.000 0.633 602 A CB -0.967 18.269 19.000 0.394 0.000 0.819 602 A HN 0.227 nan 8.150 nan 0.000 0.448 603 V N -0.169 119.848 119.914 0.171 0.000 2.295 603 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 603 V C 2.846 178.985 176.094 0.075 0.000 1.049 603 V CA 2.017 64.392 62.300 0.126 0.000 1.024 603 V CB -1.516 30.341 31.823 0.058 0.000 0.648 603 V HN 0.632 nan 8.190 nan 0.000 0.447 604 G N 0.040 108.872 108.800 0.054 0.000 2.476 604 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 604 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 604 G C 1.639 176.560 174.900 0.035 0.000 1.164 604 G CA 0.795 45.917 45.100 0.037 0.000 0.768 604 G HN 0.385 nan 8.290 nan 0.000 0.560 605 K N 0.169 120.593 120.400 0.040 0.000 2.057 605 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 605 K C 2.597 179.211 176.600 0.023 0.000 1.049 605 K CA 0.896 57.200 56.287 0.028 0.000 0.931 605 K CB -1.100 31.416 32.500 0.026 0.000 0.714 605 K HN 0.369 nan 8.250 nan 0.000 0.440 606 C N 0.829 120.149 119.300 0.034 0.000 2.429 606 C HA -0.048 4.412 4.460 -0.000 0.000 0.277 606 C C 2.752 177.755 174.990 0.022 0.000 1.262 606 C CA 0.507 59.540 59.018 0.025 0.000 1.733 606 C CB -0.716 27.050 27.740 0.044 0.000 2.010 606 C HN 0.467 nan 8.230 nan 0.000 0.483 607 R N 0.758 121.276 120.500 0.030 0.000 2.115 607 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 607 R C 2.243 178.553 176.300 0.017 0.000 1.111 607 R CA 1.521 57.635 56.100 0.024 0.000 0.976 607 R CB -0.404 29.913 30.300 0.027 0.000 0.870 607 R HN 0.496 nan 8.270 nan 0.000 0.445 608 S N 0.929 116.638 115.700 0.015 0.000 2.402 608 S HA -0.049 4.421 4.470 -0.000 0.000 0.229 608 S C 1.815 176.418 174.600 0.006 0.000 1.021 608 S CA 0.997 59.203 58.200 0.011 0.000 0.974 608 S CB 0.102 63.308 63.200 0.011 0.000 0.800 608 S HN 0.410 nan 8.310 nan 0.000 0.484 609 A N 0.701 123.523 122.820 0.003 0.000 2.252 609 A HA 0.461 4.781 4.320 -0.000 0.000 0.207 609 A C 1.565 179.144 177.584 -0.007 0.000 1.194 609 A CA 0.615 52.649 52.037 -0.005 0.000 0.809 609 A CB -1.069 17.924 19.000 -0.012 0.000 0.814 609 A HN 0.851 nan 8.150 nan 0.000 0.482 610 G N -0.750 108.050 108.800 0.000 0.000 2.176 610 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.252 610 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.252 610 G C -0.011 174.889 174.900 -0.000 0.000 1.024 610 G CA 0.452 45.552 45.100 0.001 0.000 0.755 610 G HN 0.518 nan 8.290 nan 0.000 0.507 611 I N -0.051 120.521 120.570 0.003 0.000 2.359 611 I HA 0.333 4.503 4.170 -0.000 0.000 0.294 611 I C 0.657 176.784 176.117 0.018 0.000 0.987 611 I CA -0.784 60.519 61.300 0.004 0.000 1.225 611 I CB 1.651 39.651 38.000 -0.000 0.000 1.366 611 I HN 0.023 nan 8.210 nan 0.000 0.466 612 K N 5.710 126.122 120.400 0.019 0.000 2.258 612 K HA 0.442 4.762 4.320 -0.000 0.000 0.284 612 K C -1.178 175.446 176.600 0.040 0.000 1.051 612 K CA -0.419 55.887 56.287 0.031 0.000 0.923 612 K CB 0.980 33.499 32.500 0.032 0.000 1.046 612 K HN 0.401 nan 8.250 nan 0.000 0.474 613 V N 6.809 126.752 119.914 0.048 0.000 2.347 613 V HA 0.374 4.494 4.120 -0.000 0.000 0.280 613 V C -0.077 176.053 176.094 0.060 0.000 1.021 613 V CA -0.735 61.601 62.300 0.060 0.000 0.847 613 V CB 0.973 32.837 31.823 0.068 0.000 0.990 613 V HN 0.659 nan 8.190 nan 0.000 0.444 614 I N 5.172 125.785 120.570 0.071 0.000 2.389 614 I HA 0.439 4.609 4.170 -0.000 0.000 0.288 614 I C 0.074 176.243 176.117 0.087 0.000 0.999 614 I CA -0.428 60.927 61.300 0.092 0.000 1.129 614 I CB 1.789 39.870 38.000 0.135 0.000 1.288 614 I HN 0.600 nan 8.210 nan 0.000 0.444 615 M N 7.025 126.669 119.600 0.073 0.000 2.238 615 M HA 0.386 4.866 4.480 -0.000 0.000 0.347 615 M C -1.297 175.063 176.300 0.101 0.000 1.173 615 M CA 0.096 55.429 55.300 0.056 0.000 1.147 615 M CB 0.780 33.392 32.600 0.019 0.000 1.547 615 M HN 0.389 nan 8.290 nan 0.000 0.455 616 V N 4.250 124.202 119.914 0.064 0.000 2.445 616 V HA 0.386 4.506 4.120 -0.000 0.000 0.283 616 V C -0.449 175.652 176.094 0.012 0.000 1.014 616 V CA -0.595 61.743 62.300 0.063 0.000 0.852 616 V CB 1.377 33.207 31.823 0.011 0.000 1.021 616 V HN 0.936 nan 8.190 nan 0.000 0.435 617 T N 2.533 117.090 114.554 0.005 0.000 2.893 617 T HA 0.594 4.944 4.350 -0.000 0.000 0.291 617 T C 1.080 175.735 174.700 -0.074 0.000 1.028 617 T CA 0.424 62.501 62.100 -0.037 0.000 0.995 617 T CB 1.930 70.774 68.868 -0.040 0.000 1.051 617 T HN 0.710 nan 8.240 nan 0.000 0.470 618 G N 2.131 110.873 108.800 -0.097 0.000 2.813 618 G HA2 0.102 4.062 3.960 -0.000 0.000 0.209 618 G HA3 0.102 4.062 3.960 -0.000 0.000 0.209 618 G C 0.482 175.260 174.900 -0.204 0.000 1.150 618 G CA -0.037 44.979 45.100 -0.140 0.000 0.785 618 G HN 0.672 nan 8.290 nan 0.000 0.535 619 D N 0.058 120.356 120.400 -0.170 0.000 2.371 619 D HA 0.094 4.734 4.640 -0.000 0.000 0.242 619 D C 0.259 176.420 176.300 -0.231 0.000 1.218 619 D CA -0.445 53.434 54.000 -0.202 0.000 0.945 619 D CB 0.393 41.140 40.800 -0.090 0.000 1.137 619 D HN 0.109 nan 8.370 nan 0.000 0.464 620 H N 0.901 119.955 119.070 -0.028 0.000 2.707 620 H HA 0.093 4.649 4.556 -0.000 0.000 0.359 620 H C -1.465 173.859 175.328 -0.007 0.000 1.113 620 H CA -1.265 54.779 56.048 -0.007 0.000 1.422 620 H CB 0.675 30.451 29.762 0.023 0.000 1.443 620 H HN 0.306 nan 8.280 nan 0.000 0.591 621 P HA -0.174 nan 4.420 nan 0.000 0.215 621 P C 1.673 179.006 177.300 0.054 0.000 1.153 621 P CA 0.916 64.062 63.100 0.077 0.000 0.853 621 P CB 0.296 32.071 31.700 0.125 0.000 0.788 622 I N -0.801 119.808 120.570 0.065 0.000 2.118 622 I HA -0.227 3.943 4.170 -0.000 0.000 0.241 622 I C 2.065 178.199 176.117 0.029 0.000 1.070 622 I CA 2.071 63.390 61.300 0.031 0.000 1.327 622 I CB -2.239 35.773 38.000 0.020 0.000 1.034 622 I HN 0.032 nan 8.210 nan 0.000 0.405 623 T N 1.352 115.935 114.554 0.049 0.000 2.737 623 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 623 T C 2.113 176.822 174.700 0.015 0.000 1.038 623 T CA 1.595 63.716 62.100 0.036 0.000 1.144 623 T CB -0.380 68.521 68.868 0.054 0.000 0.866 623 T HN 0.465 nan 8.240 nan 0.000 0.434 624 A N 1.881 124.708 122.820 0.012 0.000 1.869 624 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 624 A C 2.178 179.753 177.584 -0.014 0.000 1.203 624 A CA 2.529 54.561 52.037 -0.009 0.000 0.638 624 A CB -0.760 18.231 19.000 -0.015 0.000 0.831 624 A HN 0.517 nan 8.150 nan 0.000 0.450 625 K N -0.590 119.803 120.400 -0.012 0.000 2.152 625 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 625 K C 2.029 178.619 176.600 -0.016 0.000 1.048 625 K CA 1.277 57.552 56.287 -0.020 0.000 0.933 625 K CB -0.312 32.176 32.500 -0.021 0.000 0.721 625 K HN 0.421 nan 8.250 nan 0.000 0.447 626 A N 1.018 123.833 122.820 -0.009 0.000 1.897 626 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 626 A C 1.963 179.543 177.584 -0.007 0.000 1.181 626 A CA 1.036 53.070 52.037 -0.005 0.000 0.620 626 A CB -0.333 18.670 19.000 0.005 0.000 0.821 626 A HN 0.254 nan 8.150 nan 0.000 0.443 627 I N 0.069 120.631 120.570 -0.013 0.000 2.353 627 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 627 I C 2.940 179.038 176.117 -0.031 0.000 1.119 627 I CA 1.185 62.471 61.300 -0.025 0.000 1.417 627 I CB -1.640 36.340 38.000 -0.033 0.000 1.078 627 I HN 0.355 nan 8.210 nan 0.000 0.421 628 A N 1.506 124.309 122.820 -0.028 0.000 1.884 628 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 628 A C 2.360 179.931 177.584 -0.022 0.000 1.197 628 A CA 2.089 54.110 52.037 -0.027 0.000 0.637 628 A CB -0.656 18.328 19.000 -0.027 0.000 0.827 628 A HN 0.392 nan 8.150 nan 0.000 0.450 629 K N -1.122 119.268 120.400 -0.018 0.000 2.057 629 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 629 K C 2.123 178.716 176.600 -0.011 0.000 1.049 629 K CA 1.120 57.399 56.287 -0.013 0.000 0.931 629 K CB -0.482 32.011 32.500 -0.011 0.000 0.714 629 K HN 0.494 nan 8.250 nan 0.000 0.440 630 G N 1.205 109.998 108.800 -0.013 0.000 2.422 630 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 630 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 630 G C 1.463 176.350 174.900 -0.022 0.000 1.140 630 G CA 1.064 46.157 45.100 -0.012 0.000 0.775 630 G HN 0.289 nan 8.290 nan 0.000 0.545 631 V N -3.095 116.798 119.914 -0.035 0.000 3.621 631 V HA 0.595 4.715 4.120 -0.000 0.000 0.285 631 V C 1.650 177.729 176.094 -0.025 0.000 1.346 631 V CA 0.652 62.924 62.300 -0.045 0.000 1.104 631 V CB -0.225 31.545 31.823 -0.089 0.000 0.913 631 V HN 1.036 nan 8.190 nan 0.000 0.432 632 G N 0.805 109.597 108.800 -0.015 0.000 2.176 632 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.253 632 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.253 632 G C 0.670 175.571 174.900 0.002 0.000 0.979 632 G CA 0.495 45.593 45.100 -0.003 0.000 0.641 632 G HN 0.496 nan 8.290 nan 0.000 0.530 633 I N 0.350 120.917 120.570 -0.004 0.000 2.194 633 I HA -0.055 4.115 4.170 -0.000 0.000 0.246 633 I C 1.397 177.516 176.117 0.003 0.000 1.093 633 I CA 1.390 62.692 61.300 0.003 0.000 1.355 633 I CB -0.129 37.869 38.000 -0.003 0.000 1.046 633 I HN 0.235 nan 8.210 nan 0.000 0.413 634 I N 0.735 121.302 120.570 -0.005 0.000 2.354 634 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 634 I C 0.370 176.486 176.117 -0.001 0.000 0.989 634 I CA -0.408 60.889 61.300 -0.004 0.000 1.188 634 I CB 1.472 39.464 38.000 -0.014 0.000 1.342 634 I HN 0.073 nan 8.210 nan 0.000 0.457 635 S N 3.848 119.550 115.700 0.004 0.000 2.646 635 S HA 0.399 4.869 4.470 -0.000 0.000 0.276 635 S C -0.299 174.302 174.600 0.002 0.000 1.222 635 S CA -0.878 57.325 58.200 0.004 0.000 1.014 635 S CB 1.750 64.956 63.200 0.009 0.000 0.991 635 S HN 0.528 nan 8.310 nan 0.000 0.533 636 E N 0.313 120.514 120.200 0.001 0.000 2.465 636 E HA 0.391 4.741 4.350 -0.000 0.000 0.260 636 E C 1.397 177.996 176.600 -0.001 0.000 0.980 636 E CA 1.710 58.109 56.400 -0.002 0.000 0.927 636 E CB -0.212 29.487 29.700 -0.002 0.000 0.934 636 E HN 1.087 nan 8.360 nan 0.000 0.459 637 G N 4.290 113.088 108.800 -0.003 0.000 2.284 637 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.230 637 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.230 637 G C 0.440 175.340 174.900 0.000 0.000 1.021 637 G CA 0.058 45.157 45.100 -0.002 0.000 0.619 637 G HN 0.607 nan 8.290 nan 0.000 0.510 638 N N 1.691 120.392 118.700 0.003 0.000 2.416 638 N HA 0.382 5.122 4.740 -0.000 0.000 0.246 638 N C -0.189 175.323 175.510 0.004 0.000 1.260 638 N CA 0.825 53.879 53.050 0.008 0.000 0.897 638 N CB 0.459 38.954 38.487 0.013 0.000 1.110 638 N HN 0.626 nan 8.380 nan 0.000 0.439 639 E N -0.418 119.788 120.200 0.010 0.000 2.356 639 E HA 0.203 4.553 4.350 -0.000 0.000 0.275 639 E C -0.738 175.867 176.600 0.008 0.000 0.904 639 E CA -0.768 55.634 56.400 0.003 0.000 0.757 639 E CB 1.866 31.568 29.700 0.003 0.000 1.232 639 E HN 0.576 nan 8.360 nan 0.000 0.442 640 T N -1.290 113.257 114.554 -0.010 0.000 2.918 640 T HA 0.314 4.664 4.350 -0.000 0.000 0.283 640 T C 1.705 176.403 174.700 -0.004 0.000 1.001 640 T CA -0.687 61.402 62.100 -0.019 0.000 1.041 640 T CB 0.480 69.320 68.868 -0.048 0.000 1.028 640 T HN 0.591 nan 8.240 nan 0.000 0.511 641 I N -0.665 119.908 120.570 0.006 0.000 2.185 641 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 641 I C 2.046 178.160 176.117 -0.004 0.000 1.088 641 I CA 1.590 62.895 61.300 0.009 0.000 1.347 641 I CB -0.897 37.113 38.000 0.017 0.000 1.041 641 I HN 0.574 nan 8.210 nan 0.000 0.415 642 E N 1.672 121.865 120.200 -0.013 0.000 2.110 642 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 642 E C 1.859 178.448 176.600 -0.018 0.000 0.988 642 E CA 1.512 57.903 56.400 -0.016 0.000 0.804 642 E CB -0.327 29.361 29.700 -0.021 0.000 0.745 642 E HN 0.553 nan 8.360 nan 0.000 0.458 643 D N 0.504 120.893 120.400 -0.018 0.000 2.092 643 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 643 D C 2.055 178.346 176.300 -0.015 0.000 0.994 643 D CA 1.010 54.999 54.000 -0.019 0.000 0.828 643 D CB -0.289 40.501 40.800 -0.017 0.000 0.963 643 D HN 0.193 nan 8.370 nan 0.000 0.450 644 I N 1.533 122.097 120.570 -0.011 0.000 2.076 644 I HA -0.311 3.859 4.170 -0.000 0.000 0.237 644 I C 2.652 178.762 176.117 -0.011 0.000 1.059 644 I CA 1.367 62.661 61.300 -0.009 0.000 1.317 644 I CB -0.454 37.543 38.000 -0.004 0.000 1.037 644 I HN -0.074 nan 8.210 nan 0.000 0.398 645 A N 0.719 123.533 122.820 -0.010 0.000 1.958 645 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 645 A C 2.497 180.072 177.584 -0.015 0.000 1.178 645 A CA 2.381 54.412 52.037 -0.012 0.000 0.642 645 A CB -0.952 18.042 19.000 -0.010 0.000 0.816 645 A HN 0.522 nan 8.150 nan 0.000 0.453 646 A N -0.713 122.097 122.820 -0.018 0.000 1.873 646 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 646 A C 2.247 179.818 177.584 -0.022 0.000 1.186 646 A CA 1.638 53.662 52.037 -0.022 0.000 0.616 646 A CB -0.498 18.487 19.000 -0.026 0.000 0.823 646 A HN 0.558 nan 8.150 nan 0.000 0.442 647 R N -1.003 119.485 120.500 -0.020 0.000 2.080 647 R HA -0.120 4.220 4.340 -0.000 0.000 0.236 647 R C 1.577 177.867 176.300 -0.017 0.000 1.137 647 R CA 1.652 57.741 56.100 -0.019 0.000 0.943 647 R CB -0.338 29.952 30.300 -0.017 0.000 0.846 647 R HN 0.373 nan 8.270 nan 0.000 0.431 648 L N 1.432 122.646 121.223 -0.015 0.000 2.478 648 L HA -0.009 4.331 4.340 -0.000 0.000 0.223 648 L C 0.495 177.357 176.870 -0.013 0.000 1.140 648 L CA 0.967 55.799 54.840 -0.013 0.000 0.842 648 L CB -1.038 41.015 42.059 -0.011 0.000 0.953 648 L HN 0.383 nan 8.230 nan 0.000 0.452 649 N N 0.167 118.858 118.700 -0.015 0.000 2.735 649 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 649 N C -0.151 175.352 175.510 -0.013 0.000 1.083 649 N CA 1.030 54.072 53.050 -0.015 0.000 0.703 649 N CB -1.123 37.355 38.487 -0.015 0.000 1.005 649 N HN 0.553 nan 8.380 nan 0.000 0.550 650 I N -3.913 116.650 120.570 -0.012 0.000 3.100 650 I HA 0.802 4.972 4.170 -0.000 0.000 0.312 650 I C -2.046 174.065 176.117 -0.010 0.000 1.063 650 I CA -2.351 58.943 61.300 -0.010 0.000 1.031 650 I CB 1.486 39.480 38.000 -0.009 0.000 1.243 650 I HN -0.219 nan 8.210 nan 0.000 0.483 651 P HA 0.341 nan 4.420 nan 0.000 0.274 651 P C 0.485 177.781 177.300 -0.006 0.000 1.246 651 P CA -0.248 62.847 63.100 -0.007 0.000 0.795 651 P CB 0.893 32.590 31.700 -0.006 0.000 1.006 652 I N 0.075 120.642 120.570 -0.005 0.000 2.617 652 I HA -0.059 4.111 4.170 -0.000 0.000 0.256 652 I C 2.295 178.411 176.117 -0.001 0.000 1.167 652 I CA 1.207 62.505 61.300 -0.003 0.000 1.469 652 I CB -0.858 37.141 38.000 -0.003 0.000 1.098 652 I HN 0.485 nan 8.210 nan 0.000 0.436 653 G N 0.602 109.401 108.800 -0.001 0.000 2.470 653 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 653 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 653 G C 1.517 176.416 174.900 -0.002 0.000 1.121 653 G CA 0.495 45.595 45.100 0.000 0.000 0.766 653 G HN 0.308 nan 8.290 nan 0.000 0.553 654 Q N -0.313 119.485 119.800 -0.004 0.000 2.319 654 Q HA 0.215 4.555 4.340 -0.000 0.000 0.202 654 Q C 0.556 176.552 176.000 -0.007 0.000 0.896 654 Q CA -0.040 55.759 55.803 -0.006 0.000 0.942 654 Q CB 0.710 29.444 28.738 -0.006 0.000 1.083 654 Q HN 0.306 nan 8.270 nan 0.000 0.510 655 V N 2.688 122.598 119.914 -0.005 0.000 2.530 655 V HA 0.079 4.199 4.120 -0.000 0.000 0.282 655 V C 0.514 176.604 176.094 -0.007 0.000 1.048 655 V CA -0.543 61.754 62.300 -0.006 0.000 0.997 655 V CB 1.011 32.833 31.823 -0.002 0.000 0.987 655 V HN 0.271 nan 8.190 nan 0.000 0.477 656 N N 6.052 124.744 118.700 -0.013 0.000 2.416 656 N HA 0.116 4.856 4.740 -0.000 0.000 0.265 656 N C -1.695 173.803 175.510 -0.020 0.000 1.195 656 N CA -1.333 51.704 53.050 -0.022 0.000 0.943 656 N CB 1.315 39.784 38.487 -0.029 0.000 1.115 656 N HN 0.374 nan 8.380 nan 0.000 0.481 657 P HA -0.151 nan 4.420 nan 0.000 0.218 657 P C 0.776 178.061 177.300 -0.025 0.000 1.146 657 P CA 1.000 64.101 63.100 0.001 0.000 0.813 657 P CB 0.224 31.920 31.700 -0.006 0.000 0.778 658 R N -0.680 119.772 120.500 -0.079 0.000 2.276 658 R HA 0.007 4.347 4.340 -0.000 0.000 0.203 658 R C 0.996 177.263 176.300 -0.054 0.000 1.017 658 R CA 0.753 56.788 56.100 -0.108 0.000 1.010 658 R CB -0.934 29.280 30.300 -0.144 0.000 0.900 658 R HN 0.276 nan 8.270 nan 0.000 0.469 659 D N 0.933 121.317 120.400 -0.027 0.000 2.317 659 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 659 D C 0.225 176.532 176.300 0.012 0.000 0.966 659 D CA 0.525 54.519 54.000 -0.010 0.000 0.876 659 D CB 0.193 40.988 40.800 -0.008 0.000 0.927 659 D HN 0.076 nan 8.370 nan 0.000 0.519 660 A N 0.899 123.740 122.820 0.035 0.000 2.260 660 A HA 0.217 4.537 4.320 -0.000 0.000 0.312 660 A C 1.214 178.883 177.584 0.142 0.000 1.321 660 A CA -0.465 51.621 52.037 0.082 0.000 0.928 660 A CB 0.721 19.784 19.000 0.105 0.000 1.158 660 A HN -0.180 nan 8.150 nan 0.000 0.542 661 K N 1.624 122.093 120.400 0.115 0.000 2.211 661 K HA 0.107 4.427 4.320 -0.000 0.000 0.201 661 K C 0.969 177.700 176.600 0.218 0.000 1.052 661 K CA 1.049 57.421 56.287 0.142 0.000 0.973 661 K CB 0.145 32.688 32.500 0.072 0.000 0.766 661 K HN 0.749 nan 8.250 nan 0.000 0.466 662 A N 1.405 124.298 122.820 0.122 0.000 2.304 662 A HA 0.410 4.730 4.320 -0.000 0.000 0.301 662 A C 0.303 177.836 177.584 -0.086 0.000 1.132 662 A CA -0.613 51.440 52.037 0.028 0.000 0.819 662 A CB 0.341 19.337 19.000 -0.007 0.000 1.094 662 A HN 0.461 nan 8.150 nan 0.000 0.492 663 C N -0.713 118.428 119.300 -0.265 0.000 3.154 663 C HA 0.890 5.350 4.460 -0.000 0.000 0.312 663 C C -0.883 173.922 174.990 -0.309 0.000 1.349 663 C CA -0.727 58.056 59.018 -0.391 0.000 1.518 663 C CB 0.900 28.154 27.740 -0.810 0.000 1.934 663 C HN 0.794 nan 8.230 nan 0.000 0.462 664 V N 1.866 121.615 119.914 -0.274 0.000 2.559 664 V HA 0.466 4.586 4.120 -0.000 0.000 0.289 664 V C -0.641 175.331 176.094 -0.204 0.000 1.036 664 V CA -0.186 61.983 62.300 -0.218 0.000 0.887 664 V CB 1.342 33.097 31.823 -0.113 0.000 1.022 664 V HN 0.866 nan 8.190 nan 0.000 0.442 665 V N 4.452 124.193 119.914 -0.288 0.000 2.347 665 V HA 0.393 4.513 4.120 -0.000 0.000 0.280 665 V C 0.217 176.315 176.094 0.007 0.000 1.021 665 V CA -0.616 61.582 62.300 -0.170 0.000 0.847 665 V CB 1.353 32.987 31.823 -0.315 0.000 0.990 665 V HN 0.833 nan 8.190 nan 0.000 0.444 666 H N 3.343 122.409 119.070 -0.007 0.000 2.732 666 H HA 0.113 4.669 4.556 -0.000 0.000 0.351 666 H C 1.384 176.754 175.328 0.070 0.000 1.090 666 H CA 0.878 56.947 56.048 0.035 0.000 1.431 666 H CB 1.884 31.665 29.762 0.031 0.000 1.447 666 H HN 0.741 nan 8.280 nan 0.000 0.582 667 G N 2.648 111.419 108.800 -0.049 0.000 2.469 667 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 667 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 667 G C 1.761 176.788 174.900 0.212 0.000 1.136 667 G CA 0.889 46.031 45.100 0.070 0.000 0.759 667 G HN 0.590 nan 8.290 nan 0.000 0.562 668 S N -0.049 115.936 115.700 0.475 0.000 2.419 668 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 668 S C 1.961 176.660 174.600 0.164 0.000 1.016 668 S CA 1.591 59.956 58.200 0.275 0.000 0.974 668 S CB -0.215 63.088 63.200 0.171 0.000 0.786 668 S HN 0.397 nan 8.310 nan 0.000 0.492 669 D N 0.972 121.483 120.400 0.184 0.000 2.162 669 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 669 D C 1.965 178.337 176.300 0.120 0.000 0.964 669 D CA 0.379 54.449 54.000 0.118 0.000 0.847 669 D CB -0.551 40.310 40.800 0.102 0.000 0.988 669 D HN 0.306 nan 8.370 nan 0.000 0.480 670 L N 1.366 122.679 121.223 0.151 0.000 2.081 670 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 670 L C 2.395 179.324 176.870 0.098 0.000 1.080 670 L CA 1.405 56.335 54.840 0.149 0.000 0.754 670 L CB -0.163 42.003 42.059 0.179 0.000 0.893 670 L HN 0.026 nan 8.230 nan 0.000 0.433 671 K N -0.373 120.081 120.400 0.091 0.000 2.103 671 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 671 K C 1.209 177.845 176.600 0.060 0.000 1.048 671 K CA 2.000 58.327 56.287 0.067 0.000 0.930 671 K CB -0.137 32.407 32.500 0.074 0.000 0.716 671 K HN 0.328 nan 8.250 nan 0.000 0.444 672 D N 0.667 121.107 120.400 0.067 0.000 2.349 672 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 672 D C 0.182 176.516 176.300 0.056 0.000 1.029 672 D CA 0.386 54.420 54.000 0.057 0.000 0.879 672 D CB 0.138 40.971 40.800 0.055 0.000 0.906 672 D HN 0.223 nan 8.370 nan 0.000 0.528 673 L N 0.872 122.133 121.223 0.062 0.000 2.325 673 L HA 0.240 4.580 4.340 -0.000 0.000 0.279 673 L C 0.906 177.807 176.870 0.051 0.000 1.054 673 L CA -0.721 54.157 54.840 0.064 0.000 0.804 673 L CB 1.605 43.716 42.059 0.086 0.000 1.200 673 L HN -0.140 nan 8.230 nan 0.000 0.436 674 S N -0.657 115.072 115.700 0.048 0.000 2.603 674 S HA 0.097 4.567 4.470 -0.000 0.000 0.268 674 S C 1.227 175.848 174.600 0.035 0.000 1.317 674 S CA -0.127 58.095 58.200 0.037 0.000 1.012 674 S CB 1.266 64.489 63.200 0.038 0.000 0.926 674 S HN 0.772 nan 8.310 nan 0.000 0.539 675 T N 0.054 114.621 114.554 0.021 0.000 2.803 675 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 675 T C 1.205 175.913 174.700 0.014 0.000 1.052 675 T CA 1.658 63.762 62.100 0.008 0.000 1.136 675 T CB -0.743 68.122 68.868 -0.004 0.000 0.864 675 T HN 0.719 nan 8.240 nan 0.000 0.467 676 E N 1.215 121.432 120.200 0.028 0.000 2.110 676 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 676 E C 2.353 178.989 176.600 0.060 0.000 0.988 676 E CA 0.666 57.091 56.400 0.042 0.000 0.804 676 E CB -0.872 28.857 29.700 0.049 0.000 0.745 676 E HN 0.388 nan 8.360 nan 0.000 0.458 677 V N 0.973 120.927 119.914 0.068 0.000 2.427 677 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 677 V C 2.104 178.259 176.094 0.102 0.000 1.051 677 V CA 1.390 63.746 62.300 0.093 0.000 1.048 677 V CB -0.520 31.356 31.823 0.089 0.000 0.666 677 V HN 0.232 nan 8.190 nan 0.000 0.456 678 L N -0.621 120.650 121.223 0.080 0.000 2.027 678 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 678 L C 2.396 179.287 176.870 0.035 0.000 1.074 678 L CA 1.514 56.410 54.840 0.093 0.000 0.745 678 L CB -0.970 41.117 42.059 0.047 0.000 0.898 678 L HN 0.250 nan 8.230 nan 0.000 0.433 679 D N 0.519 120.898 120.400 -0.035 0.000 2.133 679 D HA -0.214 4.426 4.640 -0.000 0.000 0.192 679 D C 1.833 177.986 176.300 -0.245 0.000 1.001 679 D CA 1.585 55.478 54.000 -0.179 0.000 0.844 679 D CB -0.239 40.491 40.800 -0.117 0.000 0.944 679 D HN 0.326 nan 8.370 nan 0.000 0.447 680 D N 0.250 120.633 120.400 -0.028 0.000 2.097 680 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 680 D C 2.397 178.691 176.300 -0.009 0.000 0.989 680 D CA 0.306 54.274 54.000 -0.053 0.000 0.827 680 D CB -0.339 40.570 40.800 0.183 0.000 0.966 680 D HN 0.277 nan 8.370 nan 0.000 0.456 681 I N 0.517 121.182 120.570 0.158 0.000 2.151 681 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 681 I C 2.183 178.459 176.117 0.264 0.000 1.080 681 I CA 0.639 62.118 61.300 0.298 0.000 1.339 681 I CB -0.139 38.001 38.000 0.233 0.000 1.039 681 I HN 0.029 nan 8.210 nan 0.000 0.409 682 L N 0.094 121.374 121.223 0.094 0.000 1.989 682 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 682 L C 2.654 179.484 176.870 -0.067 0.000 1.071 682 L CA 1.934 56.781 54.840 0.011 0.000 0.749 682 L CB -1.686 40.312 42.059 -0.101 0.000 0.890 682 L HN 0.288 nan 8.230 nan 0.000 0.431 683 H N -1.424 117.537 119.070 -0.180 0.000 2.319 683 H HA -0.191 4.365 4.556 -0.000 0.000 0.297 683 H C 1.926 177.110 175.328 -0.240 0.000 1.097 683 H CA 1.929 57.776 56.048 -0.334 0.000 1.285 683 H CB -0.358 28.946 29.762 -0.763 0.000 1.368 683 H HN 0.332 nan 8.280 nan 0.000 0.495 684 Y N -0.252 120.088 120.300 0.067 0.000 2.466 684 Y HA 0.125 4.675 4.550 -0.000 0.000 0.272 684 Y C 0.296 175.929 175.900 -0.445 0.000 1.169 684 Y CA -0.000 57.989 58.100 -0.184 0.000 1.285 684 Y CB -0.085 38.221 38.460 -0.256 0.000 1.078 684 Y HN 0.230 nan 8.280 nan 0.000 0.523 685 H N -2.284 116.875 119.070 0.149 0.000 2.690 685 H HA 0.329 4.885 4.556 -0.000 0.000 0.368 685 H C 1.040 176.401 175.328 0.056 0.000 1.150 685 H CA -0.019 56.079 56.048 0.083 0.000 1.174 685 H CB 1.663 31.449 29.762 0.041 0.000 1.684 685 H HN -0.050 nan 8.280 nan 0.000 0.538 686 T N -1.481 113.171 114.554 0.163 0.000 3.037 686 T HA 0.147 4.497 4.350 -0.000 0.000 0.252 686 T C 0.336 175.085 174.700 0.081 0.000 1.073 686 T CA 0.088 62.247 62.100 0.098 0.000 1.091 686 T CB 0.246 69.155 68.868 0.069 0.000 0.935 686 T HN 0.586 nan 8.240 nan 0.000 0.488 687 E N 1.298 121.546 120.200 0.080 0.000 2.518 687 E HA 0.464 4.814 4.350 -0.000 0.000 0.240 687 E C -1.155 175.438 176.600 -0.012 0.000 0.996 687 E CA -0.334 56.087 56.400 0.034 0.000 0.768 687 E CB 1.360 31.074 29.700 0.023 0.000 1.329 687 E HN 0.495 nan 8.360 nan 0.000 0.408 688 I N 2.041 122.603 120.570 -0.013 0.000 2.377 688 I HA 0.358 4.528 4.170 -0.000 0.000 0.293 688 I C -0.328 175.734 176.117 -0.093 0.000 0.987 688 I CA -1.168 60.072 61.300 -0.100 0.000 1.185 688 I CB 1.727 39.708 38.000 -0.032 0.000 1.341 688 I HN 0.120 nan 8.210 nan 0.000 0.455 689 V N 6.836 126.625 119.914 -0.208 0.000 2.409 689 V HA 0.342 4.462 4.120 -0.000 0.000 0.290 689 V C -0.661 175.294 176.094 -0.233 0.000 1.017 689 V CA -0.465 61.758 62.300 -0.128 0.000 0.841 689 V CB 1.210 32.976 31.823 -0.095 0.000 1.003 689 V HN 0.386 nan 8.190 nan 0.000 0.426 690 F N 3.828 123.747 119.950 -0.051 0.000 2.371 690 F HA 0.730 5.257 4.527 -0.000 0.000 0.363 690 F C 0.719 176.470 175.800 -0.081 0.000 1.122 690 F CA -0.143 57.821 58.000 -0.059 0.000 1.129 690 F CB 1.321 40.290 39.000 -0.052 0.000 1.173 690 F HN 0.544 nan 8.300 nan 0.000 0.489 691 A N 2.703 125.535 122.820 0.021 0.000 2.322 691 A HA 0.794 5.114 4.320 -0.000 0.000 0.327 691 A C 0.618 178.072 177.584 -0.217 0.000 1.134 691 A CA -0.943 51.047 52.037 -0.077 0.000 0.831 691 A CB 0.882 19.833 19.000 -0.080 0.000 1.288 691 A HN 0.729 nan 8.150 nan 0.000 0.472 692 R N -0.617 119.722 120.500 -0.268 0.000 3.627 692 R HA -0.138 4.202 4.340 -0.000 0.000 0.281 692 R C 0.273 176.428 176.300 -0.241 0.000 1.140 692 R CA 1.205 57.086 56.100 -0.365 0.000 0.761 692 R CB -2.641 27.214 30.300 -0.742 0.000 1.181 692 R HN 1.303 nan 8.270 nan 0.000 0.472 693 T N -2.392 112.079 114.554 -0.137 0.000 2.897 693 T HA 0.519 4.869 4.350 -0.000 0.000 0.294 693 T C 0.756 175.405 174.700 -0.086 0.000 1.004 693 T CA -0.145 61.908 62.100 -0.079 0.000 1.106 693 T CB 1.611 70.450 68.868 -0.049 0.000 0.949 693 T HN 0.411 nan 8.240 nan 0.000 0.520 694 S N 2.546 118.204 115.700 -0.070 0.000 2.655 694 S HA 0.365 4.835 4.470 -0.000 0.000 0.265 694 S C -1.768 172.793 174.600 -0.065 0.000 1.240 694 S CA -1.336 56.821 58.200 -0.071 0.000 0.986 694 S CB 0.565 63.730 63.200 -0.058 0.000 0.985 694 S HN 0.485 nan 8.310 nan 0.000 0.562 695 P HA -0.084 nan 4.420 nan 0.000 0.215 695 P C 1.236 178.511 177.300 -0.042 0.000 1.153 695 P CA 1.327 64.404 63.100 -0.039 0.000 0.853 695 P CB -0.104 31.588 31.700 -0.013 0.000 0.788 696 Q N -0.550 119.224 119.800 -0.043 0.000 2.170 696 Q HA -0.160 4.180 4.340 -0.000 0.000 0.203 696 Q C 2.242 178.205 176.000 -0.063 0.000 0.976 696 Q CA 1.340 57.115 55.803 -0.046 0.000 0.858 696 Q CB -0.786 27.929 28.738 -0.038 0.000 0.907 696 Q HN 0.434 nan 8.270 nan 0.000 0.433 697 Q N 0.433 120.190 119.800 -0.071 0.000 2.123 697 Q HA -0.066 4.274 4.340 -0.000 0.000 0.199 697 Q C 1.824 177.731 176.000 -0.154 0.000 0.966 697 Q CA 0.878 56.620 55.803 -0.101 0.000 0.845 697 Q CB 0.012 28.702 28.738 -0.079 0.000 0.907 697 Q HN 0.346 nan 8.270 nan 0.000 0.439 698 K N 0.586 120.911 120.400 -0.125 0.000 2.063 698 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 698 K C 2.091 178.615 176.600 -0.126 0.000 1.048 698 K CA 0.932 57.139 56.287 -0.132 0.000 0.928 698 K CB -0.240 32.211 32.500 -0.082 0.000 0.713 698 K HN 0.084 nan 8.250 nan 0.000 0.442 699 L N 1.737 122.904 121.223 -0.093 0.000 2.012 699 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 699 L C 1.960 178.771 176.870 -0.100 0.000 1.073 699 L CA 1.609 56.402 54.840 -0.079 0.000 0.748 699 L CB -0.452 41.574 42.059 -0.055 0.000 0.891 699 L HN 0.063 nan 8.230 nan 0.000 0.431 700 I N -0.181 120.319 120.570 -0.117 0.000 2.163 700 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 700 I C 2.671 178.685 176.117 -0.171 0.000 1.085 700 I CA 1.469 62.695 61.300 -0.124 0.000 1.347 700 I CB -1.201 36.728 38.000 -0.119 0.000 1.044 700 I HN 0.267 nan 8.210 nan 0.000 0.408 701 I N 0.097 120.506 120.570 -0.269 0.000 2.151 701 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 701 I C 2.621 178.616 176.117 -0.204 0.000 1.080 701 I CA 1.204 62.290 61.300 -0.358 0.000 1.339 701 I CB -0.463 37.196 38.000 -0.569 0.000 1.039 701 I HN -0.001 nan 8.210 nan 0.000 0.409 702 V N 0.434 120.256 119.914 -0.154 0.000 2.255 702 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 702 V C 2.455 178.499 176.094 -0.082 0.000 1.051 702 V CA 2.196 64.437 62.300 -0.098 0.000 1.018 702 V CB -0.610 31.168 31.823 -0.075 0.000 0.641 702 V HN 0.434 nan 8.190 nan 0.000 0.445 703 E N -0.093 120.058 120.200 -0.081 0.000 2.058 703 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 703 E C 2.293 178.850 176.600 -0.071 0.000 0.997 703 E CA 1.417 57.778 56.400 -0.065 0.000 0.801 703 E CB -0.596 29.068 29.700 -0.061 0.000 0.746 703 E HN 0.618 nan 8.360 nan 0.000 0.450 704 G N 0.401 109.147 108.800 -0.091 0.000 2.491 704 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 704 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 704 G C 1.749 176.590 174.900 -0.097 0.000 1.180 704 G CA 1.112 46.154 45.100 -0.096 0.000 0.774 704 G HN 0.385 nan 8.290 nan 0.000 0.562 705 C N 0.133 119.379 119.300 -0.090 0.000 2.413 705 C HA -0.058 4.402 4.460 -0.000 0.000 0.276 705 C C 3.069 178.023 174.990 -0.060 0.000 1.248 705 C CA 1.301 60.275 59.018 -0.072 0.000 1.742 705 C CB -0.950 26.756 27.740 -0.056 0.000 2.017 705 C HN 0.570 nan 8.230 nan 0.000 0.481 706 Q N -0.248 119.519 119.800 -0.054 0.000 2.079 706 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 706 Q C 2.361 178.339 176.000 -0.037 0.000 0.974 706 Q CA 1.053 56.831 55.803 -0.041 0.000 0.840 706 Q CB -0.260 28.457 28.738 -0.036 0.000 0.898 706 Q HN 0.573 nan 8.270 nan 0.000 0.430 707 R N 0.551 121.025 120.500 -0.043 0.000 2.154 707 R HA -0.200 4.140 4.340 -0.000 0.000 0.248 707 R C 2.103 178.385 176.300 -0.030 0.000 1.155 707 R CA 1.476 57.554 56.100 -0.036 0.000 0.979 707 R CB 0.105 30.378 30.300 -0.045 0.000 0.869 707 R HN 0.292 nan 8.270 nan 0.000 0.452 708 Q N -1.791 117.980 119.800 -0.047 0.000 2.297 708 Q HA 0.033 4.373 4.340 -0.000 0.000 0.204 708 Q C 1.420 177.416 176.000 -0.007 0.000 0.962 708 Q CA 1.342 57.128 55.803 -0.029 0.000 0.879 708 Q CB 0.671 29.369 28.738 -0.067 0.000 0.947 708 Q HN 0.640 nan 8.270 nan 0.000 0.462 709 G N -0.092 108.699 108.800 -0.016 0.000 2.284 709 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.201 709 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.201 709 G C 0.365 175.253 174.900 -0.020 0.000 0.998 709 G CA -0.113 44.979 45.100 -0.013 0.000 0.651 709 G HN 0.597 nan 8.290 nan 0.000 0.489 710 A N 1.257 124.062 122.820 -0.024 0.000 2.466 710 A HA 0.568 4.888 4.320 -0.000 0.000 0.238 710 A C 0.597 178.163 177.584 -0.031 0.000 1.074 710 A CA 0.257 52.278 52.037 -0.027 0.000 0.774 710 A CB 0.137 19.122 19.000 -0.026 0.000 1.015 710 A HN 0.642 nan 8.150 nan 0.000 0.498 711 I N 2.743 123.292 120.570 -0.036 0.000 2.312 711 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 711 I C 0.070 176.166 176.117 -0.035 0.000 1.031 711 I CA -0.115 61.162 61.300 -0.038 0.000 1.293 711 I CB 0.296 38.267 38.000 -0.049 0.000 1.403 711 I HN 0.389 nan 8.210 nan 0.000 0.484 712 V N 3.345 123.239 119.914 -0.032 0.000 2.417 712 V HA 0.858 4.978 4.120 -0.000 0.000 0.291 712 V C 0.259 176.336 176.094 -0.028 0.000 1.024 712 V CA -0.930 61.353 62.300 -0.028 0.000 0.861 712 V CB 1.285 33.092 31.823 -0.028 0.000 0.985 712 V HN 0.781 nan 8.190 nan 0.000 0.436 713 A N 4.481 127.285 122.820 -0.026 0.000 2.260 713 A HA 0.752 5.072 4.320 -0.000 0.000 0.308 713 A C -0.226 177.350 177.584 -0.014 0.000 1.254 713 A CA -0.527 51.493 52.037 -0.028 0.000 0.874 713 A CB 0.843 19.819 19.000 -0.041 0.000 1.153 713 A HN 1.032 nan 8.150 nan 0.000 0.527 714 V N 3.244 123.150 119.914 -0.014 0.000 2.432 714 V HA 0.497 4.617 4.120 -0.000 0.000 0.275 714 V C 0.737 176.835 176.094 0.007 0.000 1.043 714 V CA 0.112 62.412 62.300 -0.001 0.000 0.925 714 V CB 1.290 33.108 31.823 -0.009 0.000 0.985 714 V HN 0.995 nan 8.190 nan 0.000 0.466 715 T N 1.825 116.403 114.554 0.039 0.000 2.792 715 T HA 0.858 5.208 4.350 -0.000 0.000 0.280 715 T C -0.072 174.673 174.700 0.075 0.000 0.990 715 T CA -0.155 61.983 62.100 0.065 0.000 0.960 715 T CB 1.581 70.530 68.868 0.136 0.000 0.939 715 T HN 1.063 nan 8.240 nan 0.000 0.439 716 G N 1.653 110.483 108.800 0.050 0.000 2.606 716 G HA2 0.588 4.548 3.960 -0.000 0.000 0.300 716 G HA3 0.588 4.548 3.960 -0.000 0.000 0.300 716 G C -1.043 173.868 174.900 0.017 0.000 1.360 716 G CA -0.386 44.732 45.100 0.030 0.000 0.783 716 G HN 0.716 nan 8.290 nan 0.000 0.484 717 D N -1.740 118.659 120.400 -0.001 0.000 2.523 717 D HA 0.289 4.929 4.640 -0.000 0.000 0.269 717 D C 0.647 176.927 176.300 -0.034 0.000 1.374 717 D CA 0.660 54.652 54.000 -0.012 0.000 0.820 717 D CB 0.333 41.131 40.800 -0.003 0.000 1.211 717 D HN 0.864 nan 8.370 nan 0.000 0.502 718 G N -0.040 108.735 108.800 -0.042 0.000 2.714 718 G HA2 0.451 4.411 3.960 -0.000 0.000 0.292 718 G HA3 0.451 4.411 3.960 -0.000 0.000 0.292 718 G C 0.769 175.622 174.900 -0.078 0.000 1.308 718 G CA -0.282 44.781 45.100 -0.063 0.000 0.964 718 G HN 0.312 nan 8.290 nan 0.000 0.484 719 V N -0.320 119.526 119.914 -0.113 0.000 3.141 719 V HA -0.049 4.071 4.120 -0.000 0.000 0.265 719 V C 1.735 177.801 176.094 -0.046 0.000 1.126 719 V CA 1.886 64.094 62.300 -0.152 0.000 1.141 719 V CB -0.662 30.986 31.823 -0.292 0.000 0.743 719 V HN 0.698 nan 8.190 nan 0.000 0.492 720 N N -0.144 118.532 118.700 -0.040 0.000 2.467 720 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 720 N C 0.948 176.450 175.510 -0.013 0.000 1.106 720 N CA 1.141 54.181 53.050 -0.018 0.000 0.892 720 N CB -0.338 38.121 38.487 -0.047 0.000 0.969 720 N HN 0.544 nan 8.380 nan 0.000 0.454 721 D N 0.525 120.915 120.400 -0.017 0.000 2.350 721 D HA -0.016 4.624 4.640 -0.000 0.000 0.213 721 D C 1.752 178.054 176.300 0.005 0.000 1.031 721 D CA 0.353 54.346 54.000 -0.012 0.000 0.861 721 D CB 0.305 41.096 40.800 -0.015 0.000 0.926 721 D HN 0.400 nan 8.370 nan 0.000 0.520 722 S N 1.608 117.325 115.700 0.027 0.000 2.359 722 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 722 S C -0.677 173.956 174.600 0.055 0.000 1.038 722 S CA 0.929 59.164 58.200 0.058 0.000 1.051 722 S CB -1.658 61.621 63.200 0.133 0.000 0.944 722 S HN 0.081 nan 8.310 nan 0.000 0.433 723 P HA -0.007 nan 4.420 nan 0.000 0.216 723 P C 1.722 179.022 177.300 0.000 0.000 1.150 723 P CA 1.832 64.946 63.100 0.024 0.000 0.843 723 P CB -0.345 31.359 31.700 0.008 0.000 0.787 724 A N -0.775 122.040 122.820 -0.009 0.000 1.873 724 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 724 A C 2.219 179.794 177.584 -0.015 0.000 1.186 724 A CA 1.328 53.352 52.037 -0.023 0.000 0.616 724 A CB -1.610 17.370 19.000 -0.032 0.000 0.823 724 A HN 0.093 nan 8.150 nan 0.000 0.442 725 L N -0.489 120.731 121.223 -0.006 0.000 2.042 725 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 725 L C 2.581 179.449 176.870 -0.003 0.000 1.076 725 L CA 1.701 56.538 54.840 -0.005 0.000 0.749 725 L CB -0.376 41.682 42.059 -0.001 0.000 0.893 725 L HN 0.306 nan 8.230 nan 0.000 0.432 726 K N 0.321 120.724 120.400 0.005 0.000 2.439 726 K HA -0.164 4.156 4.320 -0.000 0.000 0.197 726 K C 1.841 178.441 176.600 -0.001 0.000 1.041 726 K CA 0.924 57.216 56.287 0.008 0.000 0.970 726 K CB 0.272 32.786 32.500 0.023 0.000 0.773 726 K HN 0.063 nan 8.250 nan 0.000 0.479 727 K N 0.087 120.482 120.400 -0.009 0.000 2.365 727 K HA 0.211 4.531 4.320 -0.000 0.000 0.195 727 K C 0.102 176.690 176.600 -0.019 0.000 1.079 727 K CA 0.259 56.536 56.287 -0.015 0.000 0.979 727 K CB 0.234 32.720 32.500 -0.023 0.000 0.929 727 K HN 0.062 nan 8.250 nan 0.000 0.523 728 A N 1.529 124.337 122.820 -0.021 0.000 2.547 728 A HA -0.052 4.268 4.320 -0.000 0.000 0.233 728 A C 0.473 178.044 177.584 -0.021 0.000 1.067 728 A CA 0.628 52.651 52.037 -0.023 0.000 0.763 728 A CB -0.025 18.962 19.000 -0.022 0.000 1.007 728 A HN 0.451 nan 8.150 nan 0.000 0.506 729 D N -0.197 120.189 120.400 -0.024 0.000 2.149 729 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 729 D C 0.475 176.760 176.300 -0.025 0.000 0.990 729 D CA 1.681 55.667 54.000 -0.023 0.000 0.839 729 D CB 0.123 40.907 40.800 -0.027 0.000 0.948 729 D HN 0.519 nan 8.370 nan 0.000 0.460 730 I N 0.368 120.921 120.570 -0.029 0.000 2.512 730 I HA 0.337 4.507 4.170 -0.000 0.000 0.287 730 I C -0.794 175.304 176.117 -0.030 0.000 1.069 730 I CA -0.591 60.690 61.300 -0.032 0.000 1.056 730 I CB 1.923 39.898 38.000 -0.041 0.000 1.229 730 I HN -0.207 nan 8.210 nan 0.000 0.429 731 G N 7.073 115.858 108.800 -0.026 0.000 2.325 731 G HA2 0.536 4.496 3.960 -0.000 0.000 0.298 731 G HA3 0.536 4.496 3.960 -0.000 0.000 0.298 731 G C -0.907 173.977 174.900 -0.028 0.000 1.134 731 G CA -0.276 44.811 45.100 -0.022 0.000 0.876 731 G HN 0.393 nan 8.290 nan 0.000 0.452 732 V N 1.641 121.537 119.914 -0.029 0.000 2.459 732 V HA 0.761 4.881 4.120 -0.000 0.000 0.295 732 V C 0.455 176.539 176.094 -0.017 0.000 1.029 732 V CA -0.662 61.616 62.300 -0.037 0.000 0.874 732 V CB 1.167 32.950 31.823 -0.066 0.000 0.985 732 V HN 1.057 nan 8.190 nan 0.000 0.438 733 A N 5.754 128.564 122.820 -0.016 0.000 2.354 733 A HA 0.919 5.239 4.320 -0.000 0.000 0.321 733 A C -0.470 177.114 177.584 -0.000 0.000 1.125 733 A CA -0.853 51.181 52.037 -0.006 0.000 0.799 733 A CB 1.448 20.441 19.000 -0.013 0.000 1.293 733 A HN 0.673 nan 8.150 nan 0.000 0.452 734 M N 1.953 121.559 119.600 0.010 0.000 2.185 734 M HA 0.226 4.706 4.480 -0.000 0.000 0.357 734 M C 1.429 177.730 176.300 0.002 0.000 1.260 734 M CA -0.016 55.294 55.300 0.016 0.000 1.124 734 M CB 0.431 33.048 32.600 0.028 0.000 1.600 734 M HN 0.928 nan 8.290 nan 0.000 0.467 735 G N 3.575 112.376 108.800 0.002 0.000 2.414 735 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.215 735 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.215 735 G C 1.395 176.292 174.900 -0.005 0.000 1.188 735 G CA 0.460 45.557 45.100 -0.004 0.000 0.783 735 G HN 0.663 nan 8.290 nan 0.000 0.537 736 I N 1.369 121.938 120.570 -0.001 0.000 2.130 736 I HA -0.134 4.036 4.170 -0.000 0.000 0.234 736 I C 3.204 179.317 176.117 -0.007 0.000 1.067 736 I CA 1.664 62.962 61.300 -0.003 0.000 1.339 736 I CB -0.490 37.511 38.000 0.001 0.000 1.073 736 I HN 0.336 nan 8.210 nan 0.000 0.405 737 S N 0.979 116.676 115.700 -0.005 0.000 2.428 737 S HA 0.009 4.479 4.470 -0.000 0.000 0.230 737 S C 1.531 176.119 174.600 -0.019 0.000 1.014 737 S CA 0.295 58.489 58.200 -0.011 0.000 0.957 737 S CB -1.352 61.843 63.200 -0.007 0.000 0.784 737 S HN 0.421 nan 8.310 nan 0.000 0.499 738 G N 2.824 111.614 108.800 -0.016 0.000 2.138 738 G HA2 0.289 4.249 3.960 -0.000 0.000 0.244 738 G HA3 0.289 4.249 3.960 -0.000 0.000 0.244 738 G C 0.221 175.097 174.900 -0.040 0.000 1.166 738 G CA 0.236 45.321 45.100 -0.026 0.000 0.902 738 G HN 0.763 nan 8.290 nan 0.000 0.460 739 S N 1.311 116.977 115.700 -0.057 0.000 2.580 739 S HA -0.006 4.464 4.470 -0.000 0.000 0.266 739 S C 1.111 175.663 174.600 -0.080 0.000 1.354 739 S CA 0.410 58.562 58.200 -0.080 0.000 1.008 739 S CB 1.270 64.403 63.200 -0.112 0.000 0.898 739 S HN 0.663 nan 8.310 nan 0.000 0.555 740 D N 0.326 120.671 120.400 -0.091 0.000 2.178 740 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 740 D C 1.597 177.840 176.300 -0.095 0.000 0.974 740 D CA 1.132 55.085 54.000 -0.079 0.000 0.841 740 D CB -0.280 40.477 40.800 -0.072 0.000 0.953 740 D HN 0.375 nan 8.370 nan 0.000 0.478 741 V N 0.562 120.382 119.914 -0.157 0.000 2.307 741 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 741 V C 2.676 178.709 176.094 -0.102 0.000 1.045 741 V CA 1.814 64.000 62.300 -0.191 0.000 1.024 741 V CB -1.220 30.357 31.823 -0.411 0.000 0.651 741 V HN 0.320 nan 8.190 nan 0.000 0.449 742 S N 0.905 116.550 115.700 -0.092 0.000 2.365 742 S HA -0.326 4.144 4.470 -0.000 0.000 0.225 742 S C 1.950 176.530 174.600 -0.033 0.000 1.039 742 S CA 1.895 60.065 58.200 -0.050 0.000 1.033 742 S CB -0.598 62.575 63.200 -0.045 0.000 0.887 742 S HN 0.610 nan 8.310 nan 0.000 0.447 743 K N 0.782 121.159 120.400 -0.038 0.000 2.063 743 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 743 K C 2.720 179.309 176.600 -0.018 0.000 1.048 743 K CA 1.547 57.819 56.287 -0.026 0.000 0.928 743 K CB -0.202 32.282 32.500 -0.027 0.000 0.713 743 K HN 0.339 nan 8.250 nan 0.000 0.442 744 Q N -0.101 119.687 119.800 -0.019 0.000 2.079 744 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 744 Q C 2.108 178.113 176.000 0.008 0.000 0.974 744 Q CA 1.597 57.399 55.803 -0.002 0.000 0.840 744 Q CB -0.256 28.485 28.738 0.005 0.000 0.898 744 Q HN 0.348 nan 8.270 nan 0.000 0.430 745 A N 0.554 123.379 122.820 0.008 0.000 2.119 745 A HA 0.270 4.590 4.320 -0.000 0.000 0.216 745 A C 1.206 178.793 177.584 0.005 0.000 1.152 745 A CA 0.739 52.787 52.037 0.017 0.000 0.708 745 A CB -0.233 18.784 19.000 0.027 0.000 0.805 745 A HN 0.273 nan 8.150 nan 0.000 0.460 746 A N -0.392 122.425 122.820 -0.005 0.000 2.272 746 A HA 0.480 4.800 4.320 -0.000 0.000 0.275 746 A C 0.378 177.953 177.584 -0.014 0.000 1.096 746 A CA 0.012 52.042 52.037 -0.011 0.000 0.822 746 A CB 0.403 19.393 19.000 -0.016 0.000 1.088 746 A HN 0.260 nan 8.150 nan 0.000 0.495 747 D N -0.516 119.871 120.400 -0.022 0.000 2.388 747 D HA 0.176 4.816 4.640 -0.000 0.000 0.208 747 D C -0.065 176.215 176.300 -0.034 0.000 1.035 747 D CA 0.949 54.933 54.000 -0.027 0.000 0.875 747 D CB 0.316 41.097 40.800 -0.031 0.000 0.984 747 D HN 0.469 nan 8.370 nan 0.000 0.508 748 M N 1.010 120.589 119.600 -0.035 0.000 2.457 748 M HA 0.338 4.818 4.480 -0.000 0.000 0.300 748 M C -1.499 174.781 176.300 -0.034 0.000 1.141 748 M CA -0.688 54.588 55.300 -0.040 0.000 0.901 748 M CB 3.330 35.899 32.600 -0.052 0.000 1.687 748 M HN -0.325 nan 8.290 nan 0.000 0.449 749 I N 4.208 124.760 120.570 -0.031 0.000 2.378 749 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 749 I C -0.469 175.632 176.117 -0.027 0.000 0.992 749 I CA -0.563 60.722 61.300 -0.025 0.000 1.154 749 I CB 1.392 39.382 38.000 -0.018 0.000 1.315 749 I HN 0.662 nan 8.210 nan 0.000 0.448 750 L N 6.674 127.883 121.223 -0.025 0.000 2.401 750 L HA 0.227 4.567 4.340 -0.000 0.000 0.283 750 L C 1.387 178.252 176.870 -0.008 0.000 1.151 750 L CA -0.292 54.535 54.840 -0.022 0.000 0.942 750 L CB 0.243 42.291 42.059 -0.019 0.000 1.283 750 L HN 0.583 nan 8.230 nan 0.000 0.442 751 L N 1.839 123.056 121.223 -0.010 0.000 2.187 751 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 751 L C 1.673 178.542 176.870 -0.001 0.000 1.100 751 L CA 1.141 55.977 54.840 -0.006 0.000 0.765 751 L CB -0.319 41.736 42.059 -0.007 0.000 0.904 751 L HN 0.738 nan 8.230 nan 0.000 0.437 752 D N -3.153 117.248 120.400 0.002 0.000 2.363 752 D HA -0.026 4.614 4.640 -0.000 0.000 0.214 752 D C 0.236 176.546 176.300 0.017 0.000 1.093 752 D CA -0.052 53.952 54.000 0.007 0.000 0.837 752 D CB -0.044 40.759 40.800 0.005 0.000 0.948 752 D HN 0.046 nan 8.370 nan 0.000 0.507 753 D N 0.208 120.621 120.400 0.022 0.000 3.059 753 D HA -0.230 4.410 4.640 -0.000 0.000 0.220 753 D C -0.365 175.977 176.300 0.069 0.000 1.169 753 D CA 0.618 54.644 54.000 0.043 0.000 0.902 753 D CB -2.147 38.674 40.800 0.034 0.000 1.116 753 D HN 0.612 nan 8.370 nan 0.000 0.417 754 N N -0.050 118.682 118.700 0.053 0.000 2.415 754 N HA 0.079 4.819 4.740 -0.000 0.000 0.250 754 N C 1.044 176.609 175.510 0.090 0.000 1.127 754 N CA -0.300 52.790 53.050 0.068 0.000 0.945 754 N CB 0.002 38.508 38.487 0.032 0.000 1.196 754 N HN 0.021 nan 8.380 nan 0.000 0.499 755 F N 4.209 124.153 119.950 -0.011 0.000 2.216 755 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 755 F C 2.281 178.074 175.800 -0.011 0.000 1.085 755 F CA 1.318 59.311 58.000 -0.011 0.000 1.326 755 F CB 0.011 39.005 39.000 -0.010 0.000 1.027 755 F HN 0.646 nan 8.300 nan 0.000 0.497 756 A N -0.865 122.031 122.820 0.127 0.000 2.076 756 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 756 A C 2.312 179.867 177.584 -0.049 0.000 1.160 756 A CA 1.828 53.891 52.037 0.044 0.000 0.653 756 A CB -1.052 17.981 19.000 0.054 0.000 0.801 756 A HN 0.408 nan 8.150 nan 0.000 0.455 757 S N 0.117 115.772 115.700 -0.075 0.000 2.383 757 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 757 S C 1.773 176.280 174.600 -0.155 0.000 1.030 757 S CA 1.300 59.442 58.200 -0.096 0.000 1.002 757 S CB -0.375 62.776 63.200 -0.082 0.000 0.829 757 S HN 0.543 nan 8.310 nan 0.000 0.467 758 I N 1.520 121.922 120.570 -0.280 0.000 2.145 758 I HA -0.174 3.996 4.170 -0.000 0.000 0.244 758 I C 2.312 178.311 176.117 -0.198 0.000 1.075 758 I CA 1.238 62.341 61.300 -0.328 0.000 1.332 758 I CB -1.663 35.945 38.000 -0.653 0.000 1.033 758 I HN 0.172 nan 8.210 nan 0.000 0.410 759 V N 0.648 120.471 119.914 -0.152 0.000 2.287 759 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 759 V C 2.593 178.647 176.094 -0.067 0.000 1.053 759 V CA 2.454 64.706 62.300 -0.079 0.000 1.027 759 V CB -1.104 30.697 31.823 -0.037 0.000 0.646 759 V HN 0.441 nan 8.190 nan 0.000 0.447 760 T N 0.241 114.756 114.554 -0.066 0.000 2.665 760 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 760 T C 1.873 176.536 174.700 -0.062 0.000 1.035 760 T CA 1.758 63.825 62.100 -0.055 0.000 1.151 760 T CB -0.760 68.077 68.868 -0.050 0.000 0.862 760 T HN 0.656 nan 8.240 nan 0.000 0.438 761 G N 1.053 109.805 108.800 -0.080 0.000 2.446 761 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 761 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 761 G C 1.807 176.664 174.900 -0.071 0.000 1.168 761 G CA 1.210 46.262 45.100 -0.080 0.000 0.771 761 G HN 0.517 nan 8.290 nan 0.000 0.551 762 V N 0.292 120.160 119.914 -0.076 0.000 2.343 762 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 762 V C 2.349 178.412 176.094 -0.051 0.000 1.051 762 V CA 2.927 65.188 62.300 -0.065 0.000 1.036 762 V CB -0.412 31.372 31.823 -0.065 0.000 0.654 762 V HN 0.558 nan 8.190 nan 0.000 0.451 763 E N -0.668 119.505 120.200 -0.045 0.000 2.085 763 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 763 E C 2.227 178.809 176.600 -0.032 0.000 0.994 763 E CA 1.617 57.997 56.400 -0.034 0.000 0.801 763 E CB -0.114 29.568 29.700 -0.029 0.000 0.743 763 E HN 0.735 nan 8.360 nan 0.000 0.453 764 E N -0.227 119.949 120.200 -0.040 0.000 2.051 764 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 764 E C 2.116 178.697 176.600 -0.032 0.000 0.991 764 E CA 1.147 57.521 56.400 -0.044 0.000 0.799 764 E CB -0.605 29.061 29.700 -0.056 0.000 0.748 764 E HN 0.431 nan 8.360 nan 0.000 0.449 765 G N 1.135 109.915 108.800 -0.033 0.000 2.448 765 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 765 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 765 G C 1.730 176.637 174.900 0.011 0.000 1.127 765 G CA 0.490 45.580 45.100 -0.016 0.000 0.766 765 G HN 0.154 nan 8.290 nan 0.000 0.552 766 R N -0.998 119.497 120.500 -0.008 0.000 2.062 766 R HA 0.128 4.468 4.340 -0.000 0.000 0.226 766 R C 2.419 178.754 176.300 0.059 0.000 1.125 766 R CA 0.632 56.736 56.100 0.006 0.000 0.966 766 R CB -0.572 29.715 30.300 -0.023 0.000 0.861 766 R HN 0.309 nan 8.270 nan 0.000 0.433 767 L N 1.511 122.749 121.223 0.024 0.000 1.971 767 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 767 L C 2.079 178.962 176.870 0.022 0.000 1.072 767 L CA 1.712 56.561 54.840 0.016 0.000 0.758 767 L CB -0.539 41.511 42.059 -0.015 0.000 0.889 767 L HN 0.198 nan 8.230 nan 0.000 0.433 768 I N -1.650 118.927 120.570 0.011 0.000 2.394 768 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 768 I C 2.359 178.492 176.117 0.026 0.000 1.136 768 I CA 1.010 62.303 61.300 -0.012 0.000 1.425 768 I CB -0.111 37.861 38.000 -0.046 0.000 1.079 768 I HN 0.369 nan 8.210 nan 0.000 0.425 769 F N 2.103 122.018 119.950 -0.058 0.000 2.069 769 F HA -0.336 4.191 4.527 -0.000 0.000 0.298 769 F C 2.020 177.795 175.800 -0.042 0.000 1.113 769 F CA 2.236 60.206 58.000 -0.050 0.000 1.214 769 F CB -0.358 38.616 39.000 -0.043 0.000 0.978 769 F HN 0.139 nan 8.300 nan 0.000 0.474 770 D N 0.354 120.846 120.400 0.153 0.000 2.088 770 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 770 D C 1.859 178.123 176.300 -0.060 0.000 0.992 770 D CA 1.665 55.687 54.000 0.035 0.000 0.831 770 D CB -0.812 40.026 40.800 0.063 0.000 0.973 770 D HN 0.247 nan 8.370 nan 0.000 0.447 771 N N 0.259 118.934 118.700 -0.041 0.000 2.430 771 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 771 N C 1.828 177.294 175.510 -0.073 0.000 1.032 771 N CA 0.156 53.175 53.050 -0.052 0.000 0.893 771 N CB -0.200 38.258 38.487 -0.047 0.000 0.957 771 N HN 0.272 nan 8.380 nan 0.000 0.442 772 L N 0.777 121.927 121.223 -0.122 0.000 2.044 772 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 772 L C 2.069 178.849 176.870 -0.149 0.000 1.075 772 L CA 0.990 55.736 54.840 -0.157 0.000 0.747 772 L CB -0.133 41.790 42.059 -0.227 0.000 0.903 772 L HN 0.108 nan 8.230 nan 0.000 0.435 773 K N 0.238 120.531 120.400 -0.179 0.000 2.034 773 K HA -0.264 4.056 4.320 -0.000 0.000 0.214 773 K C 2.033 178.684 176.600 0.086 0.000 1.051 773 K CA 1.737 57.983 56.287 -0.068 0.000 0.931 773 K CB -0.214 32.281 32.500 -0.008 0.000 0.715 773 K HN 0.297 nan 8.250 nan 0.000 0.446 774 K N 0.480 120.925 120.400 0.076 0.000 2.074 774 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 774 K C 2.332 179.017 176.600 0.142 0.000 1.048 774 K CA 1.667 58.029 56.287 0.125 0.000 0.926 774 K CB -0.166 32.347 32.500 0.022 0.000 0.713 774 K HN 0.019 nan 8.250 nan 0.000 0.444 775 S N 0.754 116.493 115.700 0.064 0.000 2.428 775 S HA -0.010 4.460 4.470 -0.000 0.000 0.230 775 S C 1.908 176.566 174.600 0.096 0.000 1.014 775 S CA 0.635 58.882 58.200 0.078 0.000 0.957 775 S CB -0.075 63.128 63.200 0.004 0.000 0.784 775 S HN 0.177 nan 8.310 nan 0.000 0.499 776 I N 1.905 122.491 120.570 0.027 0.000 2.193 776 I HA -0.100 4.070 4.170 -0.000 0.000 0.240 776 I C 2.794 178.959 176.117 0.080 0.000 1.084 776 I CA 1.222 62.525 61.300 0.005 0.000 1.365 776 I CB -1.816 36.131 38.000 -0.089 0.000 1.064 776 I HN 0.215 nan 8.210 nan 0.000 0.410 777 A N 0.910 123.793 122.820 0.105 0.000 1.869 777 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 777 A C 2.418 180.095 177.584 0.155 0.000 1.203 777 A CA 2.176 54.285 52.037 0.119 0.000 0.638 777 A CB -1.513 17.631 19.000 0.240 0.000 0.831 777 A HN 0.508 nan 8.150 nan 0.000 0.450 778 Y N 1.039 121.397 120.300 0.096 0.000 2.114 778 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 778 Y C 2.734 178.671 175.900 0.062 0.000 1.165 778 Y CA 2.586 60.736 58.100 0.083 0.000 1.148 778 Y CB -0.723 37.781 38.460 0.074 0.000 0.972 778 Y HN 0.322 nan 8.280 nan 0.000 0.504 779 T N 1.091 115.718 114.554 0.121 0.000 2.737 779 T HA -0.166 4.184 4.350 -0.000 0.000 0.265 779 T C 2.004 176.688 174.700 -0.027 0.000 1.038 779 T CA 1.725 63.839 62.100 0.023 0.000 1.144 779 T CB -0.535 68.389 68.868 0.093 0.000 0.866 779 T HN 0.312 nan 8.240 nan 0.000 0.434 780 L N 0.814 122.067 121.223 0.051 0.000 2.141 780 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 780 L C 2.859 179.800 176.870 0.119 0.000 1.094 780 L CA 1.027 55.946 54.840 0.131 0.000 0.763 780 L CB -0.977 41.191 42.059 0.182 0.000 0.908 780 L HN 0.313 nan 8.230 nan 0.000 0.437 781 T N -0.513 114.054 114.554 0.023 0.000 2.684 781 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 781 T C 1.993 176.628 174.700 -0.108 0.000 1.036 781 T CA 1.818 63.907 62.100 -0.019 0.000 1.148 781 T CB -0.275 68.561 68.868 -0.053 0.000 0.863 781 T HN 0.530 nan 8.240 nan 0.000 0.436 782 S N 1.798 117.397 115.700 -0.169 0.000 2.507 782 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 782 S C 1.834 176.343 174.600 -0.151 0.000 0.988 782 S CA 0.514 58.612 58.200 -0.170 0.000 0.944 782 S CB -0.465 62.615 63.200 -0.200 0.000 0.762 782 S HN 0.302 nan 8.310 nan 0.000 0.526 783 N N 2.444 121.058 118.700 -0.145 0.000 2.036 783 N HA -0.075 4.665 4.740 -0.000 0.000 0.195 783 N C 1.572 176.913 175.510 -0.282 0.000 1.037 783 N CA 1.585 54.520 53.050 -0.191 0.000 0.855 783 N CB -0.538 37.863 38.487 -0.143 0.000 1.033 783 N HN 0.313 nan 8.380 nan 0.000 0.423 784 I N 1.503 121.851 120.570 -0.369 0.000 2.091 784 I HA -0.207 3.963 4.170 -0.000 0.000 0.239 784 I C -0.842 175.171 176.117 -0.173 0.000 1.061 784 I CA 1.508 62.601 61.300 -0.345 0.000 1.317 784 I CB -2.566 35.235 38.000 -0.333 0.000 1.031 784 I HN 0.166 nan 8.210 nan 0.000 0.401 785 P HA -0.129 nan 4.420 nan 0.000 0.228 785 P C 1.147 178.421 177.300 -0.043 0.000 1.151 785 P CA 1.331 64.438 63.100 0.012 0.000 0.770 785 P CB -0.076 31.638 31.700 0.023 0.000 0.786 786 E N -0.849 119.262 120.200 -0.149 0.000 2.340 786 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 786 E C 1.952 178.397 176.600 -0.257 0.000 0.996 786 E CA 0.312 56.574 56.400 -0.230 0.000 0.869 786 E CB -0.126 29.455 29.700 -0.199 0.000 0.835 786 E HN 0.287 nan 8.360 nan 0.000 0.493 787 I N 0.713 121.153 120.570 -0.217 0.000 2.364 787 I HA -0.166 4.004 4.170 -0.000 0.000 0.241 787 I C 2.562 178.580 176.117 -0.165 0.000 1.082 787 I CA 1.189 62.365 61.300 -0.206 0.000 1.401 787 I CB -0.793 37.064 38.000 -0.240 0.000 1.126 787 I HN 0.068 nan 8.210 nan 0.000 0.429 788 T N 0.066 114.553 114.554 -0.112 0.000 2.653 788 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 788 T C -0.455 174.312 174.700 0.113 0.000 1.037 788 T CA 1.559 63.667 62.100 0.014 0.000 1.159 788 T CB -2.502 66.458 68.868 0.154 0.000 0.859 788 T HN 0.233 nan 8.240 nan 0.000 0.449 789 P HA -0.126 nan 4.420 nan 0.000 0.215 789 P C 1.485 178.693 177.300 -0.153 0.000 1.157 789 P CA 1.143 64.061 63.100 -0.303 0.000 0.874 789 P CB -0.368 30.801 31.700 -0.885 0.000 0.790 790 F N 0.720 120.483 119.950 -0.312 0.000 2.186 790 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 790 F C 2.205 177.935 175.800 -0.117 0.000 1.090 790 F CA 1.061 58.901 58.000 -0.265 0.000 1.307 790 F CB -1.046 37.748 39.000 -0.343 0.000 1.019 790 F HN -0.292 nan 8.300 nan 0.000 0.489 791 L N -0.674 120.389 121.223 -0.267 0.000 1.948 791 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 791 L C 2.405 179.170 176.870 -0.174 0.000 1.074 791 L CA 1.433 56.100 54.840 -0.287 0.000 0.753 791 L CB -1.496 40.427 42.059 -0.227 0.000 0.888 791 L HN -0.098 nan 8.230 nan 0.000 0.432 792 V N 0.020 119.898 119.914 -0.059 0.000 2.546 792 V HA -0.323 3.797 4.120 -0.000 0.000 0.254 792 V C 2.312 178.369 176.094 -0.061 0.000 1.076 792 V CA 1.977 64.254 62.300 -0.039 0.000 1.087 792 V CB -0.820 30.998 31.823 -0.007 0.000 0.674 792 V HN 0.383 nan 8.190 nan 0.000 0.470 793 F N 1.095 120.898 119.950 -0.244 0.000 2.095 793 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 793 F C 1.989 177.601 175.800 -0.314 0.000 1.104 793 F CA 2.151 59.979 58.000 -0.286 0.000 1.232 793 F CB -0.214 38.592 39.000 -0.322 0.000 0.987 793 F HN 0.153 nan 8.300 nan 0.000 0.475 794 I N -0.047 120.181 120.570 -0.570 0.000 2.277 794 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 794 I C 2.235 178.161 176.117 -0.317 0.000 1.094 794 I CA 0.619 61.546 61.300 -0.622 0.000 1.393 794 I CB -0.567 36.947 38.000 -0.810 0.000 1.078 794 I HN 0.091 nan 8.210 nan 0.000 0.417 795 I N 1.285 121.724 120.570 -0.219 0.000 2.353 795 I HA -0.100 4.070 4.170 -0.000 0.000 0.248 795 I C 2.369 178.426 176.117 -0.100 0.000 1.119 795 I CA 1.726 62.954 61.300 -0.120 0.000 1.417 795 I CB -1.604 36.354 38.000 -0.071 0.000 1.078 795 I HN 0.300 nan 8.210 nan 0.000 0.421 796 G N -0.173 108.559 108.800 -0.113 0.000 3.020 796 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.217 796 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.217 796 G C 0.618 175.462 174.900 -0.094 0.000 1.144 796 G CA -0.100 44.956 45.100 -0.074 0.000 0.760 796 G HN 0.360 nan 8.290 nan 0.000 0.548 797 N N -0.286 118.306 118.700 -0.179 0.000 2.727 797 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 797 N C 0.351 175.757 175.510 -0.173 0.000 1.048 797 N CA 1.073 53.995 53.050 -0.213 0.000 0.714 797 N CB -1.605 36.810 38.487 -0.120 0.000 0.959 797 N HN 0.514 nan 8.380 nan 0.000 0.544 798 V N -3.065 116.749 119.914 -0.167 0.000 3.096 798 V HA 0.769 4.889 4.120 -0.000 0.000 0.319 798 V C -2.174 173.854 176.094 -0.111 0.000 1.082 798 V CA -2.041 60.200 62.300 -0.099 0.000 1.022 798 V CB 1.479 33.316 31.823 0.024 0.000 1.103 798 V HN -0.165 nan 8.190 nan 0.000 0.455 799 P HA 0.238 nan 4.420 nan 0.000 0.271 799 P C -0.439 176.851 177.300 -0.016 0.000 1.216 799 P CA -0.333 62.539 63.100 -0.380 0.000 0.776 799 P CB 0.374 31.267 31.700 -1.344 0.000 0.881 800 L N 6.893 128.172 121.223 0.093 0.000 2.654 800 L HA 0.044 4.384 4.340 -0.000 0.000 0.271 800 L C -1.723 175.058 176.870 -0.148 0.000 1.169 800 L CA -0.588 54.150 54.840 -0.169 0.000 0.947 800 L CB -0.132 41.635 42.059 -0.486 0.000 1.232 800 L HN 0.363 nan 8.230 nan 0.000 0.486 801 P HA 0.044 nan 4.420 nan 0.000 0.222 801 P C -0.714 176.148 177.300 -0.729 0.000 1.153 801 P CA 0.577 63.348 63.100 -0.547 0.000 0.798 801 P CB 0.287 31.256 31.700 -1.219 0.000 0.796 802 L N -1.717 118.892 121.223 -1.023 0.000 2.466 802 L HA 0.754 5.094 4.340 -0.000 0.000 0.258 802 L C -0.510 175.724 176.870 -1.059 0.000 0.973 802 L CA -0.771 53.390 54.840 -1.132 0.000 0.826 802 L CB 2.004 43.384 42.059 -1.132 0.000 1.372 802 L HN -0.151 nan 8.230 nan 0.000 0.409 803 G N 0.481 108.723 108.800 -0.930 0.000 2.454 803 G HA2 0.460 4.420 3.960 -0.000 0.000 0.329 803 G HA3 0.460 4.420 3.960 -0.000 0.000 0.329 803 G C 0.436 175.149 174.900 -0.312 0.000 1.177 803 G CA 0.250 45.060 45.100 -0.482 0.000 0.951 803 G HN 0.730 nan 8.290 nan 0.000 0.485 804 T N 0.713 115.115 114.554 -0.252 0.000 2.620 804 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 804 T C 2.445 177.036 174.700 -0.182 0.000 1.044 804 T CA 1.790 63.758 62.100 -0.220 0.000 1.161 804 T CB -0.491 68.266 68.868 -0.186 0.000 0.862 804 T HN 0.192 nan 8.240 nan 0.000 0.438 805 V N 2.026 121.848 119.914 -0.153 0.000 2.332 805 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 805 V C 2.892 178.880 176.094 -0.178 0.000 1.055 805 V CA 2.308 64.520 62.300 -0.147 0.000 1.038 805 V CB -1.467 30.273 31.823 -0.139 0.000 0.651 805 V HN 0.626 nan 8.190 nan 0.000 0.450 806 T N 0.458 114.898 114.554 -0.190 0.000 2.759 806 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 806 T C 1.802 176.414 174.700 -0.146 0.000 1.042 806 T CA 1.819 63.790 62.100 -0.214 0.000 1.140 806 T CB -0.322 68.440 68.868 -0.178 0.000 0.864 806 T HN 0.403 nan 8.240 nan 0.000 0.455 807 I N 0.770 121.247 120.570 -0.155 0.000 2.252 807 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 807 I C 2.355 178.421 176.117 -0.085 0.000 1.102 807 I CA 1.148 62.375 61.300 -0.121 0.000 1.385 807 I CB -0.517 37.377 38.000 -0.176 0.000 1.064 807 I HN 0.185 nan 8.210 nan 0.000 0.414 808 L N 0.159 121.317 121.223 -0.107 0.000 2.191 808 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 808 L C 2.595 179.434 176.870 -0.051 0.000 1.103 808 L CA 1.119 55.910 54.840 -0.083 0.000 0.769 808 L CB -0.607 41.394 42.059 -0.096 0.000 0.908 808 L HN 0.455 nan 8.230 nan 0.000 0.438 809 C N -0.569 118.686 119.300 -0.076 0.000 2.446 809 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 809 C C 2.686 177.755 174.990 0.132 0.000 1.366 809 C CA -0.123 58.866 59.018 -0.049 0.000 1.763 809 C CB -0.493 27.066 27.740 -0.301 0.000 1.929 809 C HN 0.407 nan 8.230 nan 0.000 0.509 810 I N 1.558 122.228 120.570 0.167 0.000 2.233 810 I HA -0.116 4.054 4.170 -0.000 0.000 0.243 810 I C 1.944 178.114 176.117 0.088 0.000 1.093 810 I CA 1.996 63.404 61.300 0.179 0.000 1.380 810 I CB -1.263 36.807 38.000 0.116 0.000 1.067 810 I HN 0.321 nan 8.210 nan 0.000 0.413 811 D N 0.320 120.740 120.400 0.033 0.000 2.137 811 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 811 D C 1.570 177.887 176.300 0.028 0.000 0.970 811 D CA 0.780 54.787 54.000 0.011 0.000 0.837 811 D CB 0.162 40.940 40.800 -0.036 0.000 0.981 811 D HN 0.081 nan 8.370 nan 0.000 0.475 812 L N -0.711 120.527 121.223 0.025 0.000 2.667 812 L HA 0.393 4.733 4.340 -0.000 0.000 0.232 812 L C 1.406 178.311 176.870 0.058 0.000 1.138 812 L CA 0.176 55.038 54.840 0.036 0.000 0.921 812 L CB 0.545 42.613 42.059 0.015 0.000 1.180 812 L HN 0.045 nan 8.230 nan 0.000 0.487 813 G N -1.237 107.610 108.800 0.078 0.000 2.449 813 G HA2 0.045 4.005 3.960 -0.000 0.000 0.192 813 G HA3 0.045 4.005 3.960 -0.000 0.000 0.192 813 G C 1.267 176.243 174.900 0.127 0.000 1.776 813 G CA 0.768 45.931 45.100 0.105 0.000 0.699 813 G HN 0.206 nan 8.290 nan 0.000 0.745 814 T N -1.176 113.479 114.554 0.170 0.000 2.904 814 T HA 0.008 4.358 4.350 -0.000 0.000 0.267 814 T C 1.469 176.260 174.700 0.151 0.000 1.059 814 T CA 1.771 63.967 62.100 0.161 0.000 1.137 814 T CB -0.083 68.884 68.868 0.166 0.000 0.879 814 T HN 0.055 nan 8.240 nan 0.000 0.467 815 D N 0.210 120.707 120.400 0.160 0.000 2.347 815 D HA 0.155 4.795 4.640 -0.000 0.000 0.213 815 D C 1.871 178.299 176.300 0.212 0.000 0.985 815 D CA 0.230 54.378 54.000 0.247 0.000 0.879 815 D CB -0.029 40.893 40.800 0.205 0.000 0.919 815 D HN 0.277 nan 8.370 nan 0.000 0.526 816 M N 0.012 119.690 119.600 0.129 0.000 2.062 816 M HA -0.109 4.371 4.480 -0.000 0.000 0.259 816 M C 2.311 178.652 176.300 0.069 0.000 1.076 816 M CA 0.917 56.271 55.300 0.091 0.000 1.122 816 M CB -1.025 31.622 32.600 0.078 0.000 1.312 816 M HN -0.106 nan 8.290 nan 0.000 0.412 817 V N 0.576 120.527 119.914 0.062 0.000 2.407 817 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 817 V C -0.600 175.503 176.094 0.015 0.000 1.055 817 V CA 1.876 64.209 62.300 0.056 0.000 1.049 817 V CB -1.980 29.865 31.823 0.037 0.000 0.662 817 V HN 0.235 nan 8.190 nan 0.000 0.455 818 P HA -0.192 nan 4.420 nan 0.000 0.213 818 P C 1.810 178.939 177.300 -0.286 0.000 1.170 818 P CA 2.251 65.234 63.100 -0.196 0.000 0.898 818 P CB -0.239 31.313 31.700 -0.247 0.000 0.787 819 A N -0.032 122.677 122.820 -0.185 0.000 1.869 819 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 819 A C 2.183 179.748 177.584 -0.031 0.000 1.203 819 A CA 2.178 54.178 52.037 -0.063 0.000 0.638 819 A CB -1.816 17.253 19.000 0.115 0.000 0.831 819 A HN 0.049 nan 8.150 nan 0.000 0.450 820 I N 1.130 121.705 120.570 0.009 0.000 2.151 820 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 820 I C 2.759 178.936 176.117 0.100 0.000 1.080 820 I CA 2.225 63.552 61.300 0.045 0.000 1.339 820 I CB -1.771 36.272 38.000 0.072 0.000 1.039 820 I HN 0.561 nan 8.210 nan 0.000 0.409 821 S N 0.856 116.605 115.700 0.081 0.000 2.500 821 S HA -0.104 4.366 4.470 -0.000 0.000 0.239 821 S C 1.823 176.513 174.600 0.150 0.000 0.989 821 S CA 0.510 58.788 58.200 0.130 0.000 0.951 821 S CB -0.541 62.685 63.200 0.042 0.000 0.759 821 S HN 0.264 nan 8.310 nan 0.000 0.523 822 L N 1.346 122.598 121.223 0.049 0.000 2.465 822 L HA 0.323 4.663 4.340 -0.000 0.000 0.224 822 L C 2.577 179.466 176.870 0.033 0.000 1.145 822 L CA 0.662 55.515 54.840 0.021 0.000 0.834 822 L CB -1.540 40.500 42.059 -0.031 0.000 0.944 822 L HN 0.492 nan 8.230 nan 0.000 0.451 823 A N -2.157 120.687 122.820 0.039 0.000 2.168 823 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 823 A C 1.456 178.907 177.584 -0.222 0.000 1.152 823 A CA 0.730 52.700 52.037 -0.111 0.000 0.716 823 A CB -0.613 18.268 19.000 -0.199 0.000 0.794 823 A HN 0.435 nan 8.150 nan 0.000 0.465 824 Y N 0.467 120.750 120.300 -0.028 0.000 2.468 824 Y HA 0.197 4.747 4.550 -0.000 0.000 0.268 824 Y C 0.636 176.523 175.900 -0.021 0.000 1.177 824 Y CA -0.644 57.442 58.100 -0.024 0.000 1.265 824 Y CB 0.110 38.556 38.460 -0.023 0.000 1.103 824 Y HN 0.133 nan 8.280 nan 0.000 0.522 825 E N 1.300 121.549 120.200 0.081 0.000 2.404 825 E HA 0.062 4.412 4.350 -0.000 0.000 0.261 825 E C -0.122 176.488 176.600 0.018 0.000 1.074 825 E CA 0.088 56.513 56.400 0.040 0.000 0.917 825 E CB 0.719 30.428 29.700 0.015 0.000 0.965 825 E HN 0.392 nan 8.360 nan 0.000 0.433 826 Q N 0.041 119.851 119.800 0.018 0.000 2.298 826 Q HA 0.637 4.977 4.340 -0.000 0.000 0.181 826 Q C -0.480 175.525 176.000 0.008 0.000 1.004 826 Q CA -0.762 55.048 55.803 0.012 0.000 1.050 826 Q CB 0.395 29.143 28.738 0.017 0.000 1.254 826 Q HN 0.546 nan 8.270 nan 0.000 0.531 827 A N 0.218 123.044 122.820 0.010 0.000 2.354 827 A HA 0.225 4.545 4.320 -0.000 0.000 0.269 827 A C -0.119 177.476 177.584 0.019 0.000 1.109 827 A CA -0.372 51.673 52.037 0.014 0.000 0.800 827 A CB 0.144 19.152 19.000 0.013 0.000 1.045 827 A HN 0.738 nan 8.150 nan 0.000 0.489 828 E N 0.551 120.766 120.200 0.024 0.000 2.489 828 E HA 0.104 4.454 4.350 -0.000 0.000 0.193 828 E C 0.226 176.844 176.600 0.030 0.000 1.057 828 E CA 0.682 57.099 56.400 0.029 0.000 0.866 828 E CB 0.050 29.771 29.700 0.035 0.000 0.916 828 E HN 0.754 nan 8.360 nan 0.000 0.500 829 S N -0.670 115.046 115.700 0.028 0.000 2.683 829 S HA 0.094 4.564 4.470 -0.000 0.000 0.269 829 S C -1.407 173.204 174.600 0.019 0.000 1.165 829 S CA -1.099 57.116 58.200 0.024 0.000 0.840 829 S CB 1.171 64.387 63.200 0.026 0.000 1.169 829 S HN -0.084 nan 8.310 nan 0.000 0.490 830 D N 1.340 121.749 120.400 0.016 0.000 2.416 830 D HA 0.201 4.841 4.640 -0.000 0.000 0.240 830 D C 1.369 177.676 176.300 0.012 0.000 1.250 830 D CA -0.331 53.676 54.000 0.012 0.000 0.967 830 D CB -0.003 40.803 40.800 0.010 0.000 1.059 830 D HN 0.604 nan 8.370 nan 0.000 0.512 831 I N 0.029 120.605 120.570 0.011 0.000 3.001 831 I HA -0.115 4.055 4.170 -0.000 0.000 0.268 831 I C 1.577 177.694 176.117 -0.001 0.000 1.267 831 I CA 0.189 61.494 61.300 0.009 0.000 1.472 831 I CB -0.080 37.926 38.000 0.011 0.000 1.089 831 I HN 0.139 nan 8.210 nan 0.000 0.468 832 M N 1.175 120.774 119.600 -0.002 0.000 2.419 832 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 832 M C 1.996 178.295 176.300 -0.002 0.000 1.082 832 M CA 1.338 56.635 55.300 -0.005 0.000 1.119 832 M CB -0.821 31.776 32.600 -0.004 0.000 1.398 832 M HN 0.224 nan 8.290 nan 0.000 0.453 833 K N 1.024 121.426 120.400 0.002 0.000 2.365 833 K HA -0.029 4.291 4.320 -0.000 0.000 0.199 833 K C 0.657 177.259 176.600 0.004 0.000 1.045 833 K CA 0.281 56.571 56.287 0.004 0.000 0.962 833 K CB 0.228 32.733 32.500 0.007 0.000 0.759 833 K HN 0.378 nan 8.250 nan 0.000 0.469 834 R N 0.002 120.503 120.500 0.003 0.000 2.573 834 R HA 0.257 4.597 4.340 -0.000 0.000 0.272 834 R C -0.332 175.963 176.300 -0.008 0.000 1.009 834 R CA -0.922 55.178 56.100 0.002 0.000 1.059 834 R CB 0.576 30.881 30.300 0.009 0.000 1.112 834 R HN -0.141 nan 8.270 nan 0.000 0.517 835 Q N 0.932 120.726 119.800 -0.009 0.000 2.492 835 Q HA 0.174 4.514 4.340 -0.000 0.000 0.238 835 Q C -1.971 174.008 176.000 -0.036 0.000 1.045 835 Q CA -1.405 54.388 55.803 -0.017 0.000 0.934 835 Q CB 0.103 28.834 28.738 -0.012 0.000 1.276 835 Q HN 0.497 nan 8.270 nan 0.000 0.521 836 P HA -0.010 nan 4.420 nan 0.000 0.269 836 P C -0.610 176.637 177.300 -0.088 0.000 1.209 836 P CA 0.071 63.126 63.100 -0.075 0.000 0.776 836 P CB 0.358 32.018 31.700 -0.067 0.000 0.876 837 R N 1.312 121.726 120.500 -0.143 0.000 2.590 837 R HA 0.133 4.473 4.340 -0.000 0.000 0.274 837 R C -0.063 176.168 176.300 -0.114 0.000 1.061 837 R CA -0.336 55.674 56.100 -0.150 0.000 1.081 837 R CB -0.261 29.870 30.300 -0.281 0.000 0.984 837 R HN 0.384 nan 8.270 nan 0.000 0.448 838 N N 3.564 122.220 118.700 -0.074 0.000 2.405 838 N HA 0.058 4.798 4.740 -0.000 0.000 0.260 838 N C -1.571 173.899 175.510 -0.066 0.000 1.152 838 N CA -1.731 51.286 53.050 -0.056 0.000 0.948 838 N CB 0.917 39.386 38.487 -0.030 0.000 1.111 838 N HN 0.481 nan 8.380 nan 0.000 0.485 839 P HA -0.181 nan 4.420 nan 0.000 0.220 839 P C 0.271 177.541 177.300 -0.051 0.000 1.148 839 P CA 1.234 64.293 63.100 -0.067 0.000 0.803 839 P CB 0.283 31.948 31.700 -0.059 0.000 0.782 840 K N -0.825 119.550 120.400 -0.041 0.000 2.116 840 K HA 0.048 4.368 4.320 -0.000 0.000 0.203 840 K C 2.033 178.608 176.600 -0.041 0.000 1.052 840 K CA 1.191 57.455 56.287 -0.038 0.000 0.952 840 K CB -1.374 31.114 32.500 -0.021 0.000 0.729 840 K HN 0.091 nan 8.250 nan 0.000 0.446 841 T N 1.355 115.892 114.554 -0.029 0.000 3.010 841 T HA 0.009 4.359 4.350 -0.000 0.000 0.252 841 T C -0.030 174.665 174.700 -0.008 0.000 1.047 841 T CA 0.531 62.621 62.100 -0.016 0.000 1.140 841 T CB 0.130 68.995 68.868 -0.005 0.000 0.885 841 T HN 0.096 nan 8.240 nan 0.000 0.464 842 D N 2.837 123.234 120.400 -0.006 0.000 2.524 842 D HA 0.199 4.839 4.640 -0.000 0.000 0.222 842 D C -0.081 176.273 176.300 0.090 0.000 1.142 842 D CA -0.134 53.885 54.000 0.032 0.000 0.973 842 D CB 0.556 41.363 40.800 0.012 0.000 1.025 842 D HN 0.072 nan 8.370 nan 0.000 0.519 843 K N 0.905 121.344 120.400 0.065 0.000 2.168 843 K HA 0.106 4.426 4.320 -0.000 0.000 0.258 843 K C 1.200 177.905 176.600 0.175 0.000 1.010 843 K CA -0.667 55.661 56.287 0.069 0.000 0.929 843 K CB 1.434 33.880 32.500 -0.090 0.000 0.998 843 K HN 0.173 nan 8.250 nan 0.000 0.479 844 L N 1.474 122.780 121.223 0.137 0.000 2.093 844 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 844 L C 0.181 176.993 176.870 -0.097 0.000 1.085 844 L CA 1.419 56.153 54.840 -0.177 0.000 0.755 844 L CB 0.472 42.344 42.059 -0.312 0.000 0.904 844 L HN 0.258 nan 8.230 nan 0.000 0.435 845 V N 2.991 122.949 119.914 0.074 0.000 2.409 845 V HA 0.385 4.505 4.120 -0.000 0.000 0.290 845 V C -0.625 175.558 176.094 0.147 0.000 1.017 845 V CA -0.849 61.513 62.300 0.104 0.000 0.841 845 V CB 1.190 33.154 31.823 0.234 0.000 1.003 845 V HN 0.460 nan 8.190 nan 0.000 0.426 846 N N 4.195 122.923 118.700 0.045 0.000 2.592 846 N HA 0.328 5.068 4.740 -0.000 0.000 0.292 846 N C 0.849 176.338 175.510 -0.035 0.000 1.260 846 N CA -0.696 52.378 53.050 0.039 0.000 0.910 846 N CB 1.375 39.870 38.487 0.014 0.000 1.257 846 N HN 0.515 nan 8.380 nan 0.000 0.569 847 E N 1.151 121.329 120.200 -0.036 0.000 2.153 847 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 847 E C 1.169 177.705 176.600 -0.106 0.000 0.988 847 E CA 1.093 57.447 56.400 -0.077 0.000 0.811 847 E CB -0.472 29.193 29.700 -0.059 0.000 0.746 847 E HN 0.575 nan 8.360 nan 0.000 0.466 848 R N 0.303 120.743 120.500 -0.101 0.000 2.200 848 R HA 0.024 4.364 4.340 -0.000 0.000 0.234 848 R C 2.513 178.680 176.300 -0.222 0.000 1.127 848 R CA 1.143 57.168 56.100 -0.126 0.000 0.989 848 R CB -0.355 29.893 30.300 -0.087 0.000 0.869 848 R HN 0.221 nan 8.270 nan 0.000 0.459 849 L N 0.151 121.212 121.223 -0.270 0.000 2.202 849 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 849 L C 1.844 178.552 176.870 -0.269 0.000 1.083 849 L CA 0.575 55.174 54.840 -0.402 0.000 0.790 849 L CB 0.112 41.942 42.059 -0.382 0.000 0.942 849 L HN 0.032 nan 8.230 nan 0.000 0.452 850 I N 0.026 120.456 120.570 -0.233 0.000 2.202 850 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 850 I C 2.787 178.801 176.117 -0.171 0.000 1.091 850 I CA 1.712 62.832 61.300 -0.300 0.000 1.368 850 I CB -1.557 36.229 38.000 -0.357 0.000 1.058 850 I HN 0.411 nan 8.210 nan 0.000 0.410 851 S N 0.346 115.978 115.700 -0.113 0.000 2.399 851 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 851 S C 1.973 176.576 174.600 0.005 0.000 1.022 851 S CA 0.987 59.165 58.200 -0.035 0.000 0.983 851 S CB -0.332 62.841 63.200 -0.044 0.000 0.803 851 S HN 0.264 nan 8.310 nan 0.000 0.480 852 M N 1.604 121.182 119.600 -0.036 0.000 2.160 852 M HA 0.242 4.722 4.480 -0.000 0.000 0.264 852 M C 2.601 178.933 176.300 0.054 0.000 1.073 852 M CA 1.507 56.813 55.300 0.010 0.000 1.142 852 M CB -1.480 31.077 32.600 -0.071 0.000 1.358 852 M HN 0.532 nan 8.290 nan 0.000 0.422 853 A N -0.876 121.965 122.820 0.035 0.000 1.872 853 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 853 A C 1.795 179.535 177.584 0.259 0.000 1.187 853 A CA 1.232 53.346 52.037 0.129 0.000 0.614 853 A CB -0.585 18.489 19.000 0.124 0.000 0.826 853 A HN 0.364 nan 8.150 nan 0.000 0.442 854 Y N -0.535 119.741 120.300 -0.040 0.000 2.280 854 Y HA 0.198 4.748 4.550 -0.000 0.000 0.267 854 Y C 2.894 178.779 175.900 -0.025 0.000 1.070 854 Y CA 0.290 58.369 58.100 -0.035 0.000 1.079 854 Y CB -1.407 37.031 38.460 -0.037 0.000 1.026 854 Y HN 0.244 nan 8.280 nan 0.000 0.479 855 G N -0.674 108.229 108.800 0.172 0.000 2.545 855 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.222 855 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.222 855 G C 1.319 176.246 174.900 0.045 0.000 1.126 855 G CA 1.713 46.864 45.100 0.085 0.000 0.754 855 G HN 0.475 nan 8.290 nan 0.000 0.583 856 Q N -1.262 118.567 119.800 0.049 0.000 2.619 856 Q HA 0.275 4.615 4.340 -0.000 0.000 0.195 856 Q C 2.588 178.571 176.000 -0.029 0.000 0.910 856 Q CA -0.331 55.471 55.803 -0.000 0.000 0.862 856 Q CB 0.012 28.789 28.738 0.065 0.000 1.123 856 Q HN 0.222 nan 8.270 nan 0.000 0.636 857 I N 1.217 121.808 120.570 0.036 0.000 2.163 857 I HA -0.122 4.048 4.170 -0.000 0.000 0.240 857 I C 2.329 178.449 176.117 0.004 0.000 1.081 857 I CA 1.886 63.210 61.300 0.040 0.000 1.353 857 I CB -1.689 36.378 38.000 0.111 0.000 1.054 857 I HN 0.397 nan 8.210 nan 0.000 0.407 858 G N 0.159 108.959 108.800 -0.001 0.000 2.462 858 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 858 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 858 G C 1.681 176.542 174.900 -0.064 0.000 1.121 858 G CA 0.782 45.851 45.100 -0.052 0.000 0.758 858 G HN 0.218 nan 8.290 nan 0.000 0.559 859 M N 0.410 119.981 119.600 -0.049 0.000 2.156 859 M HA 0.221 4.701 4.480 -0.000 0.000 0.264 859 M C 2.373 178.643 176.300 -0.050 0.000 1.067 859 M CA 0.956 56.225 55.300 -0.051 0.000 1.131 859 M CB -0.309 32.265 32.600 -0.043 0.000 1.368 859 M HN 0.245 nan 8.290 nan 0.000 0.416 860 I N -0.837 119.707 120.570 -0.043 0.000 2.361 860 I HA -0.322 3.848 4.170 -0.000 0.000 0.251 860 I C 2.148 178.237 176.117 -0.046 0.000 1.133 860 I CA 1.146 62.444 61.300 -0.004 0.000 1.413 860 I CB -0.710 37.306 38.000 0.027 0.000 1.073 860 I HN 0.395 nan 8.210 nan 0.000 0.424 861 Q N 0.822 120.587 119.800 -0.058 0.000 2.119 861 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 861 Q C 2.548 178.467 176.000 -0.135 0.000 0.972 861 Q CA 1.629 57.371 55.803 -0.101 0.000 0.847 861 Q CB -0.191 28.494 28.738 -0.088 0.000 0.903 861 Q HN 0.599 nan 8.270 nan 0.000 0.433 862 A N 1.168 123.953 122.820 -0.059 0.000 1.877 862 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 862 A C 2.105 179.740 177.584 0.084 0.000 1.186 862 A CA 1.097 53.182 52.037 0.080 0.000 0.620 862 A CB -0.763 18.319 19.000 0.136 0.000 0.822 862 A HN 0.283 nan 8.150 nan 0.000 0.443 863 L N -0.525 120.642 121.223 -0.094 0.000 2.042 863 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 863 L C 2.813 179.303 176.870 -0.634 0.000 1.076 863 L CA 1.238 55.926 54.840 -0.252 0.000 0.749 863 L CB -1.229 40.652 42.059 -0.297 0.000 0.893 863 L HN 0.477 nan 8.230 nan 0.000 0.432 864 G N -0.069 108.173 108.800 -0.930 0.000 2.442 864 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 864 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 864 G C 1.552 176.150 174.900 -0.503 0.000 1.141 864 G CA 0.896 45.511 45.100 -0.808 0.000 0.763 864 G HN 0.507 nan 8.290 nan 0.000 0.554 865 G N 0.111 108.496 108.800 -0.692 0.000 2.395 865 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.214 865 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.214 865 G C 1.569 175.666 174.900 -1.337 0.000 1.177 865 G CA 0.391 44.565 45.100 -1.544 0.000 0.794 865 G HN 0.331 nan 8.290 nan 0.000 0.532 866 F N -0.066 119.525 119.950 -0.598 0.000 2.202 866 F HA 0.012 4.539 4.527 -0.000 0.000 0.301 866 F C 2.187 178.008 175.800 0.035 0.000 1.082 866 F CA 0.873 58.771 58.000 -0.170 0.000 1.313 866 F CB -0.210 38.781 39.000 -0.016 0.000 1.024 866 F HN 0.142 nan 8.300 nan 0.000 0.495 867 F N 1.134 121.103 119.950 0.031 0.000 2.084 867 F HA -0.224 4.303 4.527 -0.000 0.000 0.296 867 F C 2.816 178.654 175.800 0.063 0.000 1.111 867 F CA 1.408 59.501 58.000 0.155 0.000 1.224 867 F CB -1.179 37.899 39.000 0.130 0.000 0.991 867 F HN -0.001 nan 8.300 nan 0.000 0.471 868 S N -0.190 115.364 115.700 -0.243 0.000 2.374 868 S HA -0.352 4.118 4.470 -0.000 0.000 0.227 868 S C 2.123 176.502 174.600 -0.367 0.000 1.037 868 S CA 1.405 59.367 58.200 -0.398 0.000 1.024 868 S CB -1.821 61.153 63.200 -0.377 0.000 0.861 868 S HN 0.585 nan 8.310 nan 0.000 0.456 869 Y N 2.150 122.205 120.300 -0.409 0.000 1.993 869 Y HA -0.245 4.305 4.550 -0.000 0.000 0.267 869 Y C 1.968 177.641 175.900 -0.379 0.000 1.155 869 Y CA 2.043 59.897 58.100 -0.411 0.000 1.105 869 Y CB -1.032 37.131 38.460 -0.495 0.000 0.960 869 Y HN 0.245 nan 8.280 nan 0.000 0.486 870 F N -0.686 119.251 119.950 -0.020 0.000 2.202 870 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 870 F C 2.417 178.093 175.800 -0.206 0.000 1.082 870 F CA 1.416 59.363 58.000 -0.088 0.000 1.313 870 F CB -1.305 37.785 39.000 0.151 0.000 1.024 870 F HN -0.030 nan 8.300 nan 0.000 0.495 871 V N 0.193 119.992 119.914 -0.192 0.000 2.261 871 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 871 V C 2.448 178.343 176.094 -0.331 0.000 1.047 871 V CA 1.449 63.576 62.300 -0.288 0.000 1.015 871 V CB -0.567 30.963 31.823 -0.488 0.000 0.642 871 V HN 0.156 nan 8.190 nan 0.000 0.446 872 I N -0.232 119.983 120.570 -0.591 0.000 2.127 872 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 872 I C 2.401 178.335 176.117 -0.305 0.000 1.075 872 I CA 1.814 62.699 61.300 -0.692 0.000 1.334 872 I CB -1.456 36.083 38.000 -0.769 0.000 1.040 872 I HN 0.252 nan 8.210 nan 0.000 0.405 873 L N 0.718 121.749 121.223 -0.320 0.000 2.017 873 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 873 L C 2.812 179.725 176.870 0.073 0.000 1.073 873 L CA 1.539 56.285 54.840 -0.157 0.000 0.745 873 L CB -0.764 41.079 42.059 -0.360 0.000 0.894 873 L HN 0.208 nan 8.230 nan 0.000 0.432 874 A N -0.329 122.530 122.820 0.064 0.000 1.940 874 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 874 A C 2.149 179.845 177.584 0.187 0.000 1.176 874 A CA 1.831 53.962 52.037 0.157 0.000 0.631 874 A CB -0.447 18.639 19.000 0.143 0.000 0.814 874 A HN 0.507 nan 8.150 nan 0.000 0.446 875 E N -0.511 119.777 120.200 0.147 0.000 2.371 875 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 875 E C 0.636 177.352 176.600 0.194 0.000 1.012 875 E CA 0.279 56.796 56.400 0.195 0.000 0.860 875 E CB -0.052 29.834 29.700 0.310 0.000 0.811 875 E HN 0.523 nan 8.360 nan 0.000 0.502 876 N N -0.139 118.685 118.700 0.206 0.000 2.270 876 N HA 0.024 4.764 4.740 -0.000 0.000 0.198 876 N C 0.737 176.408 175.510 0.269 0.000 1.117 876 N CA 0.695 53.904 53.050 0.265 0.000 0.845 876 N CB 1.525 40.178 38.487 0.277 0.000 0.980 876 N HN 0.252 nan 8.380 nan 0.000 0.486 877 G N 0.430 109.359 108.800 0.215 0.000 2.168 877 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.197 877 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.197 877 G C -0.295 174.622 174.900 0.028 0.000 0.997 877 G CA -0.566 44.685 45.100 0.252 0.000 0.658 877 G HN 0.236 nan 8.290 nan 0.000 0.513 878 F N 1.893 121.943 119.950 0.166 0.000 2.307 878 F HA 0.577 5.104 4.527 -0.000 0.000 0.369 878 F C 1.011 176.846 175.800 0.057 0.000 1.076 878 F CA -0.925 57.114 58.000 0.067 0.000 1.149 878 F CB 0.801 39.782 39.000 -0.033 0.000 1.410 878 F HN -0.042 nan 8.300 nan 0.000 0.481 879 L N 4.849 126.172 121.223 0.167 0.000 2.461 879 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 879 L C -0.997 175.944 176.870 0.118 0.000 1.197 879 L CA -1.493 53.414 54.840 0.111 0.000 0.836 879 L CB 0.401 42.465 42.059 0.009 0.000 1.105 879 L HN 0.267 nan 8.230 nan 0.000 0.477 880 P HA -0.223 nan 4.420 nan 0.000 0.216 880 P C 1.509 178.833 177.300 0.041 0.000 1.150 880 P CA 1.395 64.536 63.100 0.068 0.000 0.843 880 P CB 0.154 31.689 31.700 -0.274 0.000 0.787 881 M N 0.291 119.890 119.600 -0.002 0.000 2.117 881 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 881 M C 1.362 177.680 176.300 0.030 0.000 1.065 881 M CA 1.726 57.024 55.300 -0.004 0.000 1.114 881 M CB -1.087 31.499 32.600 -0.023 0.000 1.361 881 M HN -0.194 nan 8.290 nan 0.000 0.408 882 D N -0.613 119.818 120.400 0.052 0.000 2.347 882 D HA -0.038 4.602 4.640 -0.000 0.000 0.215 882 D C 1.894 178.259 176.300 0.109 0.000 0.976 882 D CA 0.738 54.786 54.000 0.079 0.000 0.884 882 D CB -0.029 40.828 40.800 0.094 0.000 0.915 882 D HN 0.392 nan 8.370 nan 0.000 0.526 883 L N 0.779 122.069 121.223 0.112 0.000 2.217 883 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 883 L C 0.845 177.746 176.870 0.052 0.000 1.107 883 L CA 0.329 55.217 54.840 0.080 0.000 0.783 883 L CB 0.020 42.162 42.059 0.138 0.000 0.919 883 L HN -0.059 nan 8.230 nan 0.000 0.442 884 I N 0.960 121.567 120.570 0.062 0.000 2.668 884 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 884 I C 1.505 177.630 176.117 0.014 0.000 1.168 884 I CA 0.996 62.315 61.300 0.031 0.000 1.424 884 I CB -0.327 37.688 38.000 0.023 0.000 1.377 884 I HN 0.368 nan 8.210 nan 0.000 0.560 885 G N 5.473 114.266 108.800 -0.011 0.000 2.179 885 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 885 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 885 G C 1.227 176.129 174.900 0.004 0.000 0.977 885 G CA 0.446 45.538 45.100 -0.012 0.000 0.641 885 G HN 0.628 nan 8.290 nan 0.000 0.533 886 K N 0.753 121.159 120.400 0.011 0.000 2.186 886 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 886 K C 2.804 179.457 176.600 0.088 0.000 1.052 886 K CA 0.851 57.176 56.287 0.062 0.000 0.965 886 K CB -0.139 32.414 32.500 0.089 0.000 0.746 886 K HN 0.584 nan 8.250 nan 0.000 0.457 887 R N 0.356 120.863 120.500 0.012 0.000 2.198 887 R HA -0.175 4.165 4.340 -0.000 0.000 0.258 887 R C 1.759 178.149 176.300 0.149 0.000 1.173 887 R CA 1.991 58.127 56.100 0.061 0.000 0.991 887 R CB -1.302 28.951 30.300 -0.078 0.000 0.879 887 R HN -0.015 nan 8.270 nan 0.000 0.460 888 V N 0.780 120.747 119.914 0.089 0.000 2.358 888 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 888 V C 2.530 178.688 176.094 0.105 0.000 1.047 888 V CA 1.755 64.110 62.300 0.090 0.000 1.035 888 V CB -0.653 31.202 31.823 0.054 0.000 0.658 888 V HN 0.292 nan 8.190 nan 0.000 0.452 889 R N -0.817 119.755 120.500 0.120 0.000 2.062 889 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 889 R C 2.166 178.542 176.300 0.127 0.000 1.128 889 R CA 1.604 57.773 56.100 0.115 0.000 0.960 889 R CB -0.810 29.567 30.300 0.127 0.000 0.855 889 R HN 0.692 nan 8.270 nan 0.000 0.432 890 W N 2.762 124.046 121.300 -0.026 0.000 2.335 890 W HA -0.187 4.473 4.660 -0.000 0.000 0.311 890 W C 0.543 177.049 176.519 -0.022 0.000 1.213 890 W CA 1.487 58.786 57.345 -0.077 0.000 1.274 890 W CB -0.158 29.218 29.460 -0.140 0.000 1.148 890 W HN 0.088 nan 8.180 nan 0.000 0.498 891 D N 0.201 120.791 120.400 0.317 0.000 2.349 891 D HA -0.073 4.567 4.640 -0.000 0.000 0.215 891 D C -0.120 176.217 176.300 0.061 0.000 1.016 891 D CA 0.617 54.775 54.000 0.263 0.000 0.870 891 D CB -0.356 40.616 40.800 0.287 0.000 0.917 891 D HN -0.003 nan 8.370 nan 0.000 0.524 892 D N 1.317 121.697 120.400 -0.032 0.000 2.349 892 D HA -0.038 4.602 4.640 -0.000 0.000 0.266 892 D C 1.258 177.217 176.300 -0.568 0.000 1.293 892 D CA 0.035 53.865 54.000 -0.283 0.000 0.926 892 D CB 0.583 41.325 40.800 -0.097 0.000 1.090 892 D HN -0.058 nan 8.370 nan 0.000 0.502 893 R N 2.945 122.658 120.500 -1.311 0.000 2.235 893 R HA -0.077 4.263 4.340 -0.000 0.000 0.213 893 R C 1.154 176.870 176.300 -0.973 0.000 1.059 893 R CA 1.087 56.186 56.100 -1.669 0.000 0.997 893 R CB 0.084 29.164 30.300 -2.033 0.000 0.884 893 R HN 0.577 nan 8.270 nan 0.000 0.462 894 W N -0.070 121.143 121.300 -0.146 0.000 2.704 894 W HA 0.253 4.913 4.660 0.000 0.000 0.266 894 W C 0.303 176.809 176.519 -0.021 0.000 1.266 894 W CA -0.900 56.400 57.345 -0.075 0.000 1.377 894 W CB 0.113 29.544 29.460 -0.048 0.000 1.082 894 W HN -0.178 nan 8.180 nan 0.000 0.608 895 I N 2.243 122.865 120.570 0.088 0.000 2.587 895 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 895 I C 0.659 176.818 176.117 0.071 0.000 1.134 895 I CA 0.806 62.155 61.300 0.082 0.000 1.410 895 I CB 0.599 38.636 38.000 0.061 0.000 1.392 895 I HN -0.118 nan 8.210 nan 0.000 0.545 896 S N 4.498 120.250 115.700 0.088 0.000 2.711 896 S HA 0.116 4.586 4.470 -0.000 0.000 0.247 896 S C -0.011 174.639 174.600 0.084 0.000 1.079 896 S CA -0.458 57.795 58.200 0.088 0.000 1.050 896 S CB -0.219 63.033 63.200 0.086 0.000 0.885 896 S HN 0.807 nan 8.310 nan 0.000 0.498 897 D N 0.015 120.472 120.400 0.094 0.000 3.216 897 D HA 0.065 4.705 4.640 -0.000 0.000 0.348 897 D C -0.335 176.050 176.300 0.143 0.000 1.407 897 D CA -0.240 53.824 54.000 0.106 0.000 0.744 897 D CB -0.359 40.486 40.800 0.075 0.000 1.264 897 D HN -0.042 nan 8.370 nan 0.000 0.543 898 V N 1.218 121.234 119.914 0.170 0.000 2.540 898 V HA -0.032 4.088 4.120 -0.000 0.000 0.297 898 V C 0.787 177.069 176.094 0.312 0.000 1.024 898 V CA 0.449 62.869 62.300 0.200 0.000 1.105 898 V CB 0.919 32.814 31.823 0.121 0.000 0.938 898 V HN 0.333 nan 8.190 nan 0.000 0.482 899 E N 4.227 124.576 120.200 0.249 0.000 2.194 899 E HA 0.244 4.594 4.350 -0.000 0.000 0.284 899 E C -0.229 176.499 176.600 0.213 0.000 1.035 899 E CA -0.853 55.681 56.400 0.223 0.000 0.836 899 E CB 0.804 30.587 29.700 0.138 0.000 1.070 899 E HN 0.868 nan 8.360 nan 0.000 0.401 900 D N 2.492 122.948 120.400 0.094 0.000 2.398 900 D HA 0.024 4.664 4.640 -0.000 0.000 0.264 900 D C 0.496 176.721 176.300 -0.124 0.000 1.263 900 D CA -0.346 53.449 54.000 -0.341 0.000 1.037 900 D CB 0.309 40.500 40.800 -1.015 0.000 1.101 900 D HN 0.279 nan 8.370 nan 0.000 0.551 901 S N -1.630 113.952 115.700 -0.196 0.000 2.428 901 S HA -0.015 4.455 4.470 -0.000 0.000 0.230 901 S C 1.427 175.857 174.600 -0.283 0.000 1.014 901 S CA 0.454 58.530 58.200 -0.208 0.000 0.957 901 S CB -0.505 62.518 63.200 -0.296 0.000 0.784 901 S HN 0.421 nan 8.310 nan 0.000 0.499 902 F N 0.856 120.766 119.950 -0.067 0.000 2.789 902 F HA 0.314 4.841 4.527 -0.000 0.000 0.300 902 F C 1.993 177.784 175.800 -0.015 0.000 1.132 902 F CA 0.392 58.375 58.000 -0.029 0.000 1.404 902 F CB 0.026 39.012 39.000 -0.022 0.000 1.114 902 F HN 0.340 nan 8.300 nan 0.000 0.584 903 G N -0.364 108.509 108.800 0.121 0.000 2.218 903 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 903 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 903 G C 0.333 175.284 174.900 0.085 0.000 0.994 903 G CA -0.464 44.687 45.100 0.085 0.000 0.637 903 G HN 0.315 nan 8.290 nan 0.000 0.505 904 Q N 0.132 119.995 119.800 0.104 0.000 2.492 904 Q HA 0.557 4.897 4.340 -0.000 0.000 0.238 904 Q C 0.140 176.201 176.000 0.102 0.000 1.045 904 Q CA 0.422 56.252 55.803 0.046 0.000 0.934 904 Q CB 0.417 29.148 28.738 -0.011 0.000 1.276 904 Q HN 0.523 nan 8.270 nan 0.000 0.521 905 Q N 0.337 120.123 119.800 -0.023 0.000 2.353 905 Q HA 0.402 4.742 4.340 -0.000 0.000 0.268 905 Q C -1.668 174.290 176.000 -0.071 0.000 1.045 905 Q CA -0.373 55.468 55.803 0.063 0.000 0.811 905 Q CB 1.517 30.275 28.738 0.034 0.000 1.305 905 Q HN 0.442 nan 8.270 nan 0.000 0.447 906 W N 1.367 122.676 121.300 0.015 0.000 2.656 906 W HA 0.360 5.020 4.660 -0.000 0.000 0.327 906 W C 0.410 176.897 176.519 -0.052 0.000 1.041 906 W CA -0.584 56.751 57.345 -0.016 0.000 1.229 906 W CB 1.751 31.214 29.460 0.006 0.000 1.397 906 W HN 0.579 nan 8.180 nan 0.000 0.479 907 T N -0.889 113.741 114.554 0.127 0.000 2.698 907 T HA -0.018 4.332 4.350 -0.000 0.000 0.295 907 T C 0.729 175.461 174.700 0.054 0.000 1.007 907 T CA 0.197 62.346 62.100 0.082 0.000 0.980 907 T CB 0.542 69.442 68.868 0.053 0.000 1.036 907 T HN 0.450 nan 8.240 nan 0.000 0.526 908 Y N 0.926 121.179 120.300 -0.078 0.000 2.109 908 Y HA -0.030 4.520 4.550 0.000 0.000 0.285 908 Y C 2.656 178.454 175.900 -0.169 0.000 1.131 908 Y CA 2.095 60.094 58.100 -0.168 0.000 1.121 908 Y CB -0.446 37.923 38.460 -0.151 0.000 0.987 908 Y HN 0.678 nan 8.280 nan 0.000 0.495 909 E N 0.530 120.681 120.200 -0.081 0.000 2.118 909 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 909 E C 2.092 178.601 176.600 -0.152 0.000 0.992 909 E CA 1.498 57.819 56.400 -0.132 0.000 0.804 909 E CB -0.371 29.349 29.700 0.033 0.000 0.741 909 E HN 0.690 nan 8.360 nan 0.000 0.458 910 Q N 0.299 120.071 119.800 -0.047 0.000 1.956 910 Q HA -0.219 4.121 4.340 -0.000 0.000 0.208 910 Q C 2.369 178.413 176.000 0.073 0.000 0.998 910 Q CA 2.135 57.991 55.803 0.090 0.000 0.855 910 Q CB -0.571 28.279 28.738 0.188 0.000 0.928 910 Q HN 0.326 nan 8.270 nan 0.000 0.418 911 R N 0.633 121.101 120.500 -0.053 0.000 2.117 911 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 911 R C 1.999 177.877 176.300 -0.703 0.000 1.143 911 R CA 1.358 57.077 56.100 -0.634 0.000 0.968 911 R CB -0.223 29.304 30.300 -1.288 0.000 0.863 911 R HN -0.000 nan 8.270 nan 0.000 0.444 912 K N 0.693 120.646 120.400 -0.745 0.000 2.097 912 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 912 K C 2.078 178.176 176.600 -0.837 0.000 1.049 912 K CA 0.933 56.683 56.287 -0.895 0.000 0.933 912 K CB -0.179 31.775 32.500 -0.909 0.000 0.717 912 K HN 0.247 nan 8.250 nan 0.000 0.442 913 I N 0.926 121.212 120.570 -0.474 0.000 2.361 913 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 913 I C 2.350 178.182 176.117 -0.474 0.000 1.133 913 I CA 0.904 61.910 61.300 -0.490 0.000 1.413 913 I CB -1.189 36.652 38.000 -0.265 0.000 1.073 913 I HN -0.174 nan 8.210 nan 0.000 0.424 914 V N 0.643 120.369 119.914 -0.313 0.000 2.307 914 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 914 V C 2.566 178.490 176.094 -0.283 0.000 1.045 914 V CA 1.842 64.009 62.300 -0.222 0.000 1.024 914 V CB -0.628 31.088 31.823 -0.179 0.000 0.651 914 V HN 0.447 nan 8.190 nan 0.000 0.449 915 E N 0.037 120.032 120.200 -0.342 0.000 2.058 915 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 915 E C 2.122 178.448 176.600 -0.456 0.000 0.997 915 E CA 1.796 57.965 56.400 -0.384 0.000 0.801 915 E CB -0.170 29.291 29.700 -0.399 0.000 0.746 915 E HN 0.542 nan 8.360 nan 0.000 0.450 916 F N 1.040 120.713 119.950 -0.462 0.000 2.216 916 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 916 F C 2.592 178.292 175.800 -0.167 0.000 1.085 916 F CA 1.293 59.028 58.000 -0.441 0.000 1.326 916 F CB -1.073 37.716 39.000 -0.353 0.000 1.027 916 F HN 0.036 nan 8.300 nan 0.000 0.497 917 T N -0.867 113.636 114.554 -0.085 0.000 2.746 917 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 917 T C 2.252 176.928 174.700 -0.039 0.000 1.039 917 T CA 1.599 63.704 62.100 0.008 0.000 1.142 917 T CB -0.799 68.061 68.868 -0.014 0.000 0.866 917 T HN 0.335 nan 8.240 nan 0.000 0.444 918 C N 0.867 120.107 119.300 -0.100 0.000 2.432 918 C HA -0.085 4.375 4.460 -0.000 0.000 0.277 918 C C 2.479 177.549 174.990 0.133 0.000 1.249 918 C CA 0.340 59.320 59.018 -0.064 0.000 1.725 918 C CB -1.378 26.305 27.740 -0.095 0.000 2.028 918 C HN 0.677 nan 8.230 nan 0.000 0.477 919 H N -0.009 119.064 119.070 0.005 0.000 2.357 919 H HA -0.186 4.370 4.556 -0.000 0.000 0.296 919 H C 2.295 177.660 175.328 0.063 0.000 1.108 919 H CA 1.846 57.904 56.048 0.018 0.000 1.273 919 H CB -0.291 29.513 29.762 0.070 0.000 1.367 919 H HN 0.482 nan 8.280 nan 0.000 0.498 920 T N -0.165 114.511 114.554 0.204 0.000 2.812 920 T HA -0.144 4.206 4.350 -0.000 0.000 0.264 920 T C 2.395 177.163 174.700 0.114 0.000 1.042 920 T CA 1.447 63.642 62.100 0.158 0.000 1.140 920 T CB -0.220 68.727 68.868 0.131 0.000 0.870 920 T HN 0.480 nan 8.240 nan 0.000 0.445 921 S N 0.575 116.265 115.700 -0.017 0.000 2.436 921 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 921 S C 1.811 176.310 174.600 -0.168 0.000 1.014 921 S CA 0.170 58.266 58.200 -0.173 0.000 0.950 921 S CB -0.772 62.238 63.200 -0.316 0.000 0.784 921 S HN 0.454 nan 8.310 nan 0.000 0.504 922 F N 1.633 121.473 119.950 -0.183 0.000 2.084 922 F HA -0.002 4.525 4.527 0.000 0.000 0.296 922 F C 2.033 177.716 175.800 -0.195 0.000 1.111 922 F CA 1.632 59.499 58.000 -0.221 0.000 1.224 922 F CB -0.474 38.371 39.000 -0.257 0.000 0.991 922 F HN 0.283 nan 8.300 nan 0.000 0.471 923 F N 1.039 121.013 119.950 0.039 0.000 2.063 923 F HA -0.349 4.178 4.527 0.000 0.000 0.298 923 F C 2.043 177.749 175.800 -0.157 0.000 1.105 923 F CA 2.206 60.169 58.000 -0.062 0.000 1.215 923 F CB -0.634 38.318 39.000 -0.079 0.000 0.972 923 F HN -0.037 nan 8.300 nan 0.000 0.483 924 I N -0.270 119.967 120.570 -0.555 0.000 2.315 924 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 924 I C 2.437 178.159 176.117 -0.659 0.000 1.117 924 I CA 1.222 62.034 61.300 -0.814 0.000 1.404 924 I CB -0.743 36.751 38.000 -0.844 0.000 1.071 924 I HN 0.199 nan 8.210 nan 0.000 0.419 925 S N 1.302 116.702 115.700 -0.500 0.000 2.368 925 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 925 S C 1.989 176.329 174.600 -0.433 0.000 1.044 925 S CA 1.375 59.306 58.200 -0.448 0.000 1.062 925 S CB -0.287 62.603 63.200 -0.517 0.000 0.931 925 S HN 0.270 nan 8.310 nan 0.000 0.440 926 I N 1.604 121.946 120.570 -0.381 0.000 2.091 926 I HA -0.160 4.010 4.170 -0.000 0.000 0.239 926 I C 2.391 178.284 176.117 -0.374 0.000 1.061 926 I CA 1.146 62.263 61.300 -0.305 0.000 1.317 926 I CB -1.987 35.892 38.000 -0.203 0.000 1.031 926 I HN 0.147 nan 8.210 nan 0.000 0.401 927 V N 0.993 120.610 119.914 -0.494 0.000 2.250 927 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 927 V C 2.791 178.400 176.094 -0.808 0.000 1.060 927 V CA 1.948 63.947 62.300 -0.502 0.000 1.030 927 V CB -0.865 30.641 31.823 -0.528 0.000 0.643 927 V HN 0.242 nan 8.190 nan 0.000 0.445 928 V N 0.590 119.902 119.914 -1.005 0.000 2.324 928 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 928 V C 2.365 178.008 176.094 -0.752 0.000 1.060 928 V CA 2.276 63.732 62.300 -1.406 0.000 1.042 928 V CB -0.689 30.610 31.823 -0.874 0.000 0.650 928 V HN 0.621 nan 8.190 nan 0.000 0.450 929 V N -3.200 116.469 119.914 -0.409 0.000 3.406 929 V HA 0.027 4.147 4.120 -0.000 0.000 0.263 929 V C 2.072 178.128 176.094 -0.064 0.000 1.172 929 V CA 0.770 62.973 62.300 -0.162 0.000 1.140 929 V CB -0.325 31.430 31.823 -0.114 0.000 0.784 929 V HN 0.397 nan 8.190 nan 0.000 0.467 930 Q N -0.483 119.255 119.800 -0.104 0.000 2.311 930 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 930 Q C 1.878 178.068 176.000 0.316 0.000 0.954 930 Q CA 1.173 57.013 55.803 0.062 0.000 0.885 930 Q CB -0.221 28.536 28.738 0.032 0.000 0.963 930 Q HN 0.832 nan 8.270 nan 0.000 0.471 931 W N 1.161 122.480 121.300 0.031 0.000 2.333 931 W HA -0.145 4.515 4.660 0.000 0.000 0.316 931 W C 2.425 178.963 176.519 0.031 0.000 1.215 931 W CA 1.156 58.497 57.345 -0.008 0.000 1.278 931 W CB -1.371 28.019 29.460 -0.116 0.000 1.154 931 W HN 0.163 nan 8.180 nan 0.000 0.486 932 A N 0.060 123.053 122.820 0.288 0.000 1.858 932 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 932 A C 1.877 179.622 177.584 0.270 0.000 1.190 932 A CA 2.331 54.517 52.037 0.247 0.000 0.617 932 A CB -1.237 17.895 19.000 0.221 0.000 0.827 932 A HN 0.232 nan 8.150 nan 0.000 0.443 933 D N -0.765 119.787 120.400 0.253 0.000 2.158 933 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 933 D C 1.716 178.270 176.300 0.423 0.000 0.995 933 D CA 1.234 55.405 54.000 0.284 0.000 0.846 933 D CB -0.200 40.688 40.800 0.148 0.000 0.941 933 D HN 0.230 nan 8.370 nan 0.000 0.456 934 L N 0.114 121.611 121.223 0.457 0.000 2.017 934 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 934 L C 2.100 179.053 176.870 0.139 0.000 1.073 934 L CA 1.481 56.452 54.840 0.219 0.000 0.745 934 L CB -0.694 41.418 42.059 0.089 0.000 0.894 934 L HN 0.091 nan 8.230 nan 0.000 0.432 935 I N -0.535 120.132 120.570 0.161 0.000 2.394 935 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 935 I C 2.250 178.472 176.117 0.175 0.000 1.136 935 I CA 1.389 62.773 61.300 0.139 0.000 1.425 935 I CB -0.252 37.828 38.000 0.133 0.000 1.079 935 I HN 0.406 nan 8.210 nan 0.000 0.425 936 I N -3.232 117.467 120.570 0.215 0.000 2.716 936 I HA -0.103 4.067 4.170 -0.000 0.000 0.259 936 I C 2.045 178.248 176.117 0.143 0.000 1.172 936 I CA 0.895 62.300 61.300 0.175 0.000 1.478 936 I CB -0.630 37.486 38.000 0.194 0.000 1.104 936 I HN 0.020 nan 8.210 nan 0.000 0.439 937 C N 1.159 120.564 119.300 0.176 0.000 2.522 937 C HA 0.042 4.502 4.460 -0.000 0.000 0.271 937 C C 2.604 177.630 174.990 0.060 0.000 1.425 937 C CA 0.361 59.472 59.018 0.155 0.000 1.751 937 C CB -1.340 26.553 27.740 0.255 0.000 1.775 937 C HN 0.508 nan 8.230 nan 0.000 0.557 938 K N 1.037 121.468 120.400 0.053 0.000 2.211 938 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 938 K C 0.669 177.266 176.600 -0.004 0.000 1.047 938 K CA 1.413 57.712 56.287 0.020 0.000 0.935 938 K CB 0.083 32.599 32.500 0.028 0.000 0.728 938 K HN 0.677 nan 8.250 nan 0.000 0.452 939 T N -3.524 111.021 114.554 -0.015 0.000 2.909 939 T HA 0.405 4.755 4.350 -0.000 0.000 0.299 939 T C 0.142 174.777 174.700 -0.109 0.000 1.073 939 T CA -1.019 61.057 62.100 -0.041 0.000 0.999 939 T CB 1.989 70.857 68.868 -0.000 0.000 1.098 939 T HN -0.003 nan 8.240 nan 0.000 0.477 940 R N -0.215 120.197 120.500 -0.146 0.000 2.265 940 R HA 0.355 4.695 4.340 -0.000 0.000 0.194 940 R C 2.208 178.565 176.300 0.095 0.000 0.931 940 R CA 0.111 56.078 56.100 -0.221 0.000 1.032 940 R CB 0.288 30.347 30.300 -0.402 0.000 0.980 940 R HN 0.664 nan 8.270 nan 0.000 0.497 941 R N -0.690 119.861 120.500 0.085 0.000 3.059 941 R HA 0.155 4.495 4.340 -0.000 0.000 0.161 941 R C -0.326 175.996 176.300 0.038 0.000 0.758 941 R CA -0.224 55.914 56.100 0.064 0.000 1.064 941 R CB 0.335 30.661 30.300 0.044 0.000 1.538 941 R HN 0.031 nan 8.270 nan 0.000 0.574 942 N N 1.443 120.168 118.700 0.040 0.000 2.416 942 N HA -0.045 4.694 4.740 -0.000 0.000 0.246 942 N C -0.574 174.974 175.510 0.063 0.000 1.260 942 N CA 0.341 53.421 53.050 0.050 0.000 0.897 942 N CB 1.246 39.760 38.487 0.045 0.000 1.110 942 N HN 0.140 nan 8.380 nan 0.000 0.439 943 S N 0.981 116.739 115.700 0.096 0.000 2.576 943 S HA 0.119 4.589 4.470 -0.000 0.000 0.276 943 S C 1.647 176.310 174.600 0.105 0.000 1.339 943 S CA -0.664 57.619 58.200 0.138 0.000 1.039 943 S CB 0.205 63.539 63.200 0.224 0.000 0.902 943 S HN 0.524 nan 8.310 nan 0.000 0.516 944 I N 3.505 124.101 120.570 0.044 0.000 2.700 944 I HA -0.108 4.062 4.170 -0.000 0.000 0.261 944 I C 0.485 176.490 176.117 -0.188 0.000 1.219 944 I CA 1.317 62.569 61.300 -0.080 0.000 1.463 944 I CB -0.232 37.714 38.000 -0.090 0.000 1.092 944 I HN 0.747 nan 8.210 nan 0.000 0.452 945 F N 0.280 120.268 119.950 0.064 0.000 2.664 945 F HA -0.024 4.503 4.527 0.000 0.000 0.296 945 F C 2.414 178.234 175.800 0.034 0.000 1.125 945 F CA 0.482 58.511 58.000 0.049 0.000 1.444 945 F CB -0.113 38.906 39.000 0.032 0.000 1.114 945 F HN 0.083 nan 8.300 nan 0.000 0.576 946 Q N -0.689 119.215 119.800 0.173 0.000 2.287 946 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 946 Q C 1.963 178.002 176.000 0.065 0.000 0.946 946 Q CA 0.486 56.354 55.803 0.109 0.000 0.868 946 Q CB -0.106 28.690 28.738 0.096 0.000 0.967 946 Q HN 0.180 nan 8.270 nan 0.000 0.516 947 Q N 0.167 119.996 119.800 0.048 0.000 2.297 947 Q HA 0.046 4.386 4.340 -0.000 0.000 0.204 947 Q C 0.479 176.487 176.000 0.013 0.000 0.962 947 Q CA 0.917 56.736 55.803 0.027 0.000 0.879 947 Q CB -0.103 28.647 28.738 0.020 0.000 0.947 947 Q HN 0.379 nan 8.270 nan 0.000 0.462 948 G N 0.144 108.945 108.800 0.003 0.000 2.692 948 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 948 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 948 G C -0.162 174.720 174.900 -0.030 0.000 1.340 948 G CA 0.081 45.172 45.100 -0.016 0.000 0.896 948 G HN 0.241 nan 8.290 nan 0.000 0.570 949 M N 0.309 119.891 119.600 -0.029 0.000 3.124 949 M HA 0.236 4.716 4.480 -0.000 0.000 0.298 949 M C 1.139 177.429 176.300 -0.016 0.000 1.403 949 M CA -0.113 55.170 55.300 -0.029 0.000 0.651 949 M CB 0.775 33.346 32.600 -0.048 0.000 1.412 949 M HN 0.621 nan 8.290 nan 0.000 0.477 950 K N -0.035 120.361 120.400 -0.007 0.000 2.400 950 K HA 0.061 4.381 4.320 -0.000 0.000 0.194 950 K C 0.858 177.455 176.600 -0.005 0.000 1.033 950 K CA 0.115 56.399 56.287 -0.005 0.000 1.021 950 K CB 0.270 32.771 32.500 0.002 0.000 0.808 950 K HN 0.248 nan 8.250 nan 0.000 0.505 951 N N 2.384 121.085 118.700 0.002 0.000 2.400 951 N HA -0.048 4.692 4.740 -0.000 0.000 0.278 951 N C 0.391 175.889 175.510 -0.020 0.000 1.247 951 N CA 0.364 53.417 53.050 0.004 0.000 0.970 951 N CB 0.542 39.045 38.487 0.027 0.000 1.312 951 N HN -0.036 nan 8.380 nan 0.000 0.488 952 K N 3.483 123.853 120.400 -0.050 0.000 2.217 952 K HA 0.002 4.322 4.320 -0.000 0.000 0.202 952 K C 1.611 178.176 176.600 -0.059 0.000 1.051 952 K CA 0.589 56.841 56.287 -0.059 0.000 0.952 952 K CB 0.159 32.605 32.500 -0.090 0.000 0.736 952 K HN 0.526 nan 8.250 nan 0.000 0.453 953 I N 1.376 121.854 120.570 -0.154 0.000 2.226 953 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 953 I C 2.496 178.638 176.117 0.043 0.000 1.100 953 I CA 0.825 62.030 61.300 -0.158 0.000 1.374 953 I CB -1.150 36.539 38.000 -0.519 0.000 1.057 953 I HN 0.073 nan 8.210 nan 0.000 0.413 954 L N 1.175 122.402 121.223 0.006 0.000 1.989 954 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 954 L C 2.632 179.525 176.870 0.039 0.000 1.071 954 L CA 1.765 56.614 54.840 0.015 0.000 0.749 954 L CB -0.213 41.843 42.059 -0.004 0.000 0.890 954 L HN 0.025 nan 8.230 nan 0.000 0.431 955 I N -0.776 119.828 120.570 0.057 0.000 2.163 955 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 955 I C 2.414 178.656 176.117 0.207 0.000 1.085 955 I CA 1.707 63.070 61.300 0.106 0.000 1.347 955 I CB -0.472 37.584 38.000 0.094 0.000 1.044 955 I HN 0.341 nan 8.210 nan 0.000 0.408 956 F N 1.982 121.941 119.950 0.014 0.000 2.147 956 F HA -0.248 4.279 4.527 -0.000 0.000 0.301 956 F C 2.228 178.065 175.800 0.062 0.000 1.084 956 F CA 1.742 59.747 58.000 0.009 0.000 1.268 956 F CB -0.855 38.103 39.000 -0.070 0.000 1.009 956 F HN 0.022 nan 8.300 nan 0.000 0.486 957 G N 0.717 109.503 108.800 -0.024 0.000 2.421 957 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 957 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 957 G C 1.787 176.639 174.900 -0.081 0.000 1.171 957 G CA 1.095 46.129 45.100 -0.110 0.000 0.775 957 G HN 0.454 nan 8.290 nan 0.000 0.543 958 L N -0.891 120.309 121.223 -0.038 0.000 1.994 958 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 958 L C 2.752 179.544 176.870 -0.130 0.000 1.071 958 L CA 1.071 55.849 54.840 -0.104 0.000 0.745 958 L CB -0.524 41.360 42.059 -0.292 0.000 0.892 958 L HN 0.139 nan 8.230 nan 0.000 0.431 959 F N 0.399 120.244 119.950 -0.174 0.000 2.069 959 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 959 F C 2.788 178.504 175.800 -0.140 0.000 1.113 959 F CA 1.415 59.328 58.000 -0.146 0.000 1.214 959 F CB -0.331 38.587 39.000 -0.138 0.000 0.978 959 F HN 0.059 nan 8.300 nan 0.000 0.474 960 E N 0.137 120.279 120.200 -0.097 0.000 2.106 960 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 960 E C 2.098 178.667 176.600 -0.053 0.000 0.984 960 E CA 1.069 57.355 56.400 -0.191 0.000 0.806 960 E CB -0.651 28.712 29.700 -0.563 0.000 0.750 960 E HN 0.563 nan 8.360 nan 0.000 0.458 961 E N 0.602 120.792 120.200 -0.018 0.000 2.058 961 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 961 E C 1.726 178.429 176.600 0.171 0.000 0.997 961 E CA 1.844 58.297 56.400 0.088 0.000 0.801 961 E CB 0.097 29.870 29.700 0.122 0.000 0.746 961 E HN 0.148 nan 8.360 nan 0.000 0.450 962 T N 0.671 115.352 114.554 0.213 0.000 2.777 962 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 962 T C 1.923 176.794 174.700 0.284 0.000 1.040 962 T CA 1.193 63.483 62.100 0.318 0.000 1.141 962 T CB -0.305 68.757 68.868 0.324 0.000 0.868 962 T HN 0.333 nan 8.240 nan 0.000 0.444 963 A N 1.263 124.193 122.820 0.184 0.000 1.940 963 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 963 A C 2.295 180.013 177.584 0.223 0.000 1.176 963 A CA 1.030 53.171 52.037 0.173 0.000 0.631 963 A CB -0.841 18.212 19.000 0.088 0.000 0.814 963 A HN 0.471 nan 8.150 nan 0.000 0.446 964 L N -0.960 120.386 121.223 0.205 0.000 2.056 964 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 964 L C 2.950 180.064 176.870 0.406 0.000 1.078 964 L CA 1.396 56.393 54.840 0.260 0.000 0.749 964 L CB -0.511 41.671 42.059 0.205 0.000 0.901 964 L HN 0.450 nan 8.230 nan 0.000 0.433 965 A N -0.195 122.878 122.820 0.421 0.000 1.858 965 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 965 A C 2.457 180.354 177.584 0.522 0.000 1.190 965 A CA 1.703 54.059 52.037 0.533 0.000 0.617 965 A CB -0.888 18.254 19.000 0.237 0.000 0.827 965 A HN 0.520 nan 8.150 nan 0.000 0.443 966 A N -1.135 122.042 122.820 0.594 0.000 1.917 966 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 966 A C 2.033 179.944 177.584 0.545 0.000 1.182 966 A CA 1.884 54.321 52.037 0.666 0.000 0.633 966 A CB -0.794 18.541 19.000 0.559 0.000 0.819 966 A HN 0.611 nan 8.150 nan 0.000 0.448 967 F N 0.102 120.223 119.950 0.286 0.000 2.026 967 F HA -0.175 4.352 4.527 -0.000 0.000 0.296 967 F C 1.908 177.785 175.800 0.129 0.000 1.133 967 F CA 1.801 59.918 58.000 0.196 0.000 1.188 967 F CB -0.626 38.460 39.000 0.144 0.000 0.968 967 F HN 0.145 nan 8.300 nan 0.000 0.476 968 L N -0.361 120.958 121.223 0.160 0.000 2.189 968 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 968 L C 2.750 179.543 176.870 -0.129 0.000 1.097 968 L CA 1.971 56.775 54.840 -0.061 0.000 0.764 968 L CB -1.598 40.419 42.059 -0.070 0.000 0.900 968 L HN 0.312 nan 8.230 nan 0.000 0.436 969 S N -1.720 113.935 115.700 -0.074 0.000 2.348 969 S HA -0.113 4.357 4.470 -0.000 0.000 0.219 969 S C 1.943 176.358 174.600 -0.309 0.000 1.033 969 S CA 0.843 58.883 58.200 -0.267 0.000 0.974 969 S CB -0.182 62.726 63.200 -0.486 0.000 0.868 969 S HN 0.487 nan 8.310 nan 0.000 0.459 970 Y N 0.140 120.487 120.300 0.078 0.000 2.497 970 Y HA 0.351 4.901 4.550 0.000 0.000 0.265 970 Y C 1.449 177.315 175.900 -0.058 0.000 1.111 970 Y CA -0.573 57.557 58.100 0.049 0.000 1.288 970 Y CB -0.112 38.419 38.460 0.118 0.000 1.082 970 Y HN 0.251 nan 8.280 nan 0.000 0.536 971 C N 5.313 124.560 119.300 -0.088 0.000 2.633 971 C HA 0.142 4.602 4.460 -0.000 0.000 0.415 971 C C -1.757 173.120 174.990 -0.190 0.000 1.393 971 C CA -2.032 56.830 59.018 -0.261 0.000 1.700 971 C CB -0.409 26.857 27.740 -0.791 0.000 2.541 971 C HN 0.182 nan 8.230 nan 0.000 0.603 972 P HA 0.308 nan 4.420 nan 0.000 0.271 972 P C 0.628 177.852 177.300 -0.127 0.000 1.216 972 P CA 1.412 64.454 63.100 -0.096 0.000 0.771 972 P CB 0.845 32.518 31.700 -0.045 0.000 0.864 973 G N 2.846 111.562 108.800 -0.139 0.000 2.308 973 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.221 973 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.221 973 G C 1.038 175.828 174.900 -0.184 0.000 1.032 973 G CA 0.335 45.352 45.100 -0.138 0.000 0.623 973 G HN 0.467 nan 8.290 nan 0.000 0.506 974 T N 2.237 116.654 114.554 -0.227 0.000 3.155 974 T HA 0.081 4.431 4.350 -0.000 0.000 0.264 974 T C 1.761 176.266 174.700 -0.324 0.000 1.160 974 T CA 1.538 63.484 62.100 -0.256 0.000 1.075 974 T CB -0.257 68.441 68.868 -0.283 0.000 0.921 974 T HN 0.786 nan 8.240 nan 0.000 0.533 975 D N 0.547 120.714 120.400 -0.389 0.000 2.340 975 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 975 D C 1.393 177.433 176.300 -0.434 0.000 1.039 975 D CA 0.323 53.929 54.000 -0.657 0.000 0.866 975 D CB 0.085 40.365 40.800 -0.867 0.000 0.913 975 D HN 0.362 nan 8.370 nan 0.000 0.523 976 V N 0.212 119.967 119.914 -0.264 0.000 3.159 976 V HA 0.239 4.359 4.120 -0.000 0.000 0.234 976 V C 2.479 178.474 176.094 -0.166 0.000 1.313 976 V CA 0.552 62.747 62.300 -0.176 0.000 1.271 976 V CB 0.101 31.854 31.823 -0.116 0.000 1.053 976 V HN 0.238 nan 8.190 nan 0.000 0.476 977 A N -0.345 122.379 122.820 -0.160 0.000 2.067 977 A HA 0.128 4.448 4.320 -0.000 0.000 0.219 977 A C 1.830 179.327 177.584 -0.146 0.000 1.158 977 A CA 1.524 53.481 52.037 -0.133 0.000 0.661 977 A CB -0.148 18.786 19.000 -0.110 0.000 0.801 977 A HN 0.499 nan 8.150 nan 0.000 0.452 978 L N -3.452 117.657 121.223 -0.190 0.000 3.515 978 L HA 0.243 4.583 4.340 -0.000 0.000 0.322 978 L C 0.300 177.028 176.870 -0.238 0.000 1.225 978 L CA -0.347 54.373 54.840 -0.200 0.000 1.104 978 L CB 0.440 42.377 42.059 -0.203 0.000 1.506 978 L HN 0.274 nan 8.230 nan 0.000 0.624 979 R N 0.693 121.028 120.500 -0.276 0.000 3.516 979 R HA -0.140 4.200 4.340 -0.000 0.000 0.271 979 R C -0.251 175.976 176.300 -0.123 0.000 1.098 979 R CA 0.669 56.599 56.100 -0.283 0.000 0.732 979 R CB -1.231 28.736 30.300 -0.554 0.000 1.152 979 R HN 0.247 nan 8.270 nan 0.000 0.455 980 M N 0.783 120.237 119.600 -0.245 0.000 2.180 980 M HA 0.300 4.780 4.480 -0.000 0.000 0.350 980 M C -0.244 175.898 176.300 -0.264 0.000 1.125 980 M CA -0.141 55.068 55.300 -0.152 0.000 1.031 980 M CB 1.045 33.510 32.600 -0.226 0.000 1.623 980 M HN -0.080 nan 8.290 nan 0.000 0.451 981 Y N 3.354 123.634 120.300 -0.033 0.000 2.496 981 Y HA 0.493 5.043 4.550 -0.000 0.000 0.331 981 Y C -1.842 174.056 175.900 -0.003 0.000 1.140 981 Y CA -2.210 55.896 58.100 0.010 0.000 1.166 981 Y CB 0.687 39.188 38.460 0.069 0.000 1.249 981 Y HN 0.459 nan 8.280 nan 0.000 0.479 982 P HA 0.139 nan 4.420 nan 0.000 0.271 982 P C -1.004 176.461 177.300 0.274 0.000 1.216 982 P CA 0.188 63.372 63.100 0.140 0.000 0.776 982 P CB 0.877 32.759 31.700 0.303 0.000 0.881 983 L N 2.817 124.207 121.223 0.279 0.000 2.307 983 L HA 0.385 4.725 4.340 -0.000 0.000 0.284 983 L C 0.894 178.011 176.870 0.412 0.000 1.023 983 L CA -0.986 54.168 54.840 0.524 0.000 0.810 983 L CB 1.310 43.626 42.059 0.428 0.000 1.231 983 L HN 0.256 nan 8.230 nan 0.000 0.423 984 K N 3.472 123.750 120.400 -0.203 0.000 2.382 984 K HA 0.082 4.402 4.320 -0.000 0.000 0.275 984 K C -1.570 174.957 176.600 -0.122 0.000 1.009 984 K CA -1.252 54.791 56.287 -0.407 0.000 0.970 984 K CB 0.682 32.572 32.500 -1.017 0.000 0.934 984 K HN 0.267 nan 8.250 nan 0.000 0.479 985 P HA -0.283 nan 4.420 nan 0.000 0.216 985 P C 1.031 178.549 177.300 0.363 0.000 1.154 985 P CA 1.536 64.790 63.100 0.257 0.000 0.865 985 P CB 0.103 31.855 31.700 0.086 0.000 0.789 986 S N -1.850 113.898 115.700 0.080 0.000 2.387 986 S HA -0.241 4.229 4.470 -0.000 0.000 0.230 986 S C 1.949 176.818 174.600 0.448 0.000 1.035 986 S CA 1.122 59.408 58.200 0.144 0.000 1.014 986 S CB -1.992 61.181 63.200 -0.045 0.000 0.836 986 S HN 0.362 nan 8.310 nan 0.000 0.466 987 W N 0.276 121.712 121.300 0.227 0.000 2.331 987 W HA -0.094 4.566 4.660 0.000 0.000 0.291 987 W C 1.811 178.372 176.519 0.070 0.000 1.214 987 W CA -0.074 57.328 57.345 0.094 0.000 1.228 987 W CB -0.441 29.028 29.460 0.016 0.000 1.135 987 W HN 0.360 nan 8.180 nan 0.000 0.537 988 W N -1.254 120.255 121.300 0.347 0.000 2.525 988 W HA -0.059 4.601 4.660 0.000 0.000 0.259 988 W C 1.283 177.658 176.519 -0.240 0.000 1.253 988 W CA 0.738 58.099 57.345 0.027 0.000 1.262 988 W CB -0.633 28.750 29.460 -0.128 0.000 1.122 988 W HN -0.168 nan 8.180 nan 0.000 0.607 989 F N -2.605 117.401 119.950 0.093 0.000 2.678 989 F HA 0.132 4.659 4.527 0.000 0.000 0.305 989 F C 1.910 177.796 175.800 0.144 0.000 1.090 989 F CA -0.648 57.222 58.000 -0.216 0.000 1.272 989 F CB -0.997 37.746 39.000 -0.428 0.000 1.060 989 F HN -0.232 nan 8.300 nan 0.000 0.576 990 C N 0.755 120.247 119.300 0.320 0.000 2.388 990 C HA -0.241 4.219 4.460 -0.000 0.000 0.277 990 C C 3.099 178.388 174.990 0.499 0.000 1.210 990 C CA 1.733 60.941 59.018 0.317 0.000 1.743 990 C CB -1.297 26.462 27.740 0.032 0.000 2.047 990 C HN 0.534 nan 8.230 nan 0.000 0.458 991 A N -0.872 122.162 122.820 0.357 0.000 2.121 991 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 991 A C 1.822 179.664 177.584 0.429 0.000 1.154 991 A CA 0.894 53.138 52.037 0.345 0.000 0.679 991 A CB -0.806 18.215 19.000 0.036 0.000 0.795 991 A HN 0.589 nan 8.150 nan 0.000 0.458 992 F N 0.550 120.619 119.950 0.197 0.000 2.045 992 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 992 F C -0.125 175.776 175.800 0.168 0.000 1.114 992 F CA 2.291 60.407 58.000 0.193 0.000 1.207 992 F CB -1.274 37.887 39.000 0.268 0.000 0.964 992 F HN 0.224 nan 8.300 nan 0.000 0.486 993 P HA -0.203 nan 4.420 nan 0.000 0.217 993 P C 0.936 178.207 177.300 -0.049 0.000 1.148 993 P CA 1.683 64.822 63.100 0.066 0.000 0.828 993 P CB -0.278 31.369 31.700 -0.087 0.000 0.783 994 Y N -1.431 118.930 120.300 0.101 0.000 2.337 994 Y HA -0.027 4.523 4.550 0.000 0.000 0.293 994 Y C 2.816 178.744 175.900 0.046 0.000 1.123 994 Y CA 1.120 59.251 58.100 0.051 0.000 1.201 994 Y CB -0.743 37.731 38.460 0.025 0.000 1.011 994 Y HN -0.059 nan 8.280 nan 0.000 0.545 995 S N 0.219 116.020 115.700 0.167 0.000 2.368 995 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 995 S C 2.063 176.744 174.600 0.135 0.000 1.029 995 S CA 1.114 59.366 58.200 0.087 0.000 0.988 995 S CB -0.535 62.631 63.200 -0.057 0.000 0.838 995 S HN 0.478 nan 8.310 nan 0.000 0.462 996 L N 1.427 122.725 121.223 0.125 0.000 2.093 996 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 996 L C 2.128 179.137 176.870 0.232 0.000 1.085 996 L CA 1.462 56.410 54.840 0.180 0.000 0.755 996 L CB -0.391 41.757 42.059 0.150 0.000 0.904 996 L HN 0.435 nan 8.230 nan 0.000 0.435 997 I N -0.397 120.269 120.570 0.159 0.000 2.208 997 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 997 I C 2.310 178.559 176.117 0.220 0.000 1.097 997 I CA 1.744 63.136 61.300 0.153 0.000 1.363 997 I CB -0.063 37.975 38.000 0.065 0.000 1.051 997 I HN 0.339 nan 8.210 nan 0.000 0.413 998 I N 0.440 121.145 120.570 0.225 0.000 2.099 998 I HA -0.361 3.809 4.170 -0.000 0.000 0.239 998 I C 2.477 178.777 176.117 0.305 0.000 1.066 998 I CA 1.964 63.417 61.300 0.255 0.000 1.324 998 I CB -0.606 37.518 38.000 0.208 0.000 1.037 998 I HN 0.266 nan 8.210 nan 0.000 0.401 999 F N 1.525 121.567 119.950 0.154 0.000 2.063 999 F HA -0.338 4.189 4.527 -0.000 0.000 0.298 999 F C 2.290 178.182 175.800 0.153 0.000 1.105 999 F CA 1.965 60.047 58.000 0.137 0.000 1.215 999 F CB -0.218 38.846 39.000 0.106 0.000 0.972 999 F HN -0.092 nan 8.300 nan 0.000 0.483 1000 L N -1.188 120.118 121.223 0.138 0.000 2.027 1000 L HA -0.238 4.102 4.340 -0.000 0.000 0.206 1000 L C 2.372 179.265 176.870 0.040 0.000 1.074 1000 L CA 1.675 56.533 54.840 0.030 0.000 0.745 1000 L CB -1.252 40.897 42.059 0.149 0.000 0.898 1000 L HN 0.281 nan 8.230 nan 0.000 0.433 1001 Y N 1.129 121.452 120.300 0.037 0.000 2.114 1001 Y HA -0.365 4.185 4.550 -0.000 0.000 0.282 1001 Y C 2.226 178.153 175.900 0.045 0.000 1.165 1001 Y CA 2.220 60.352 58.100 0.054 0.000 1.148 1001 Y CB -0.342 38.165 38.460 0.078 0.000 0.972 1001 Y HN 0.222 nan 8.280 nan 0.000 0.504 1002 D N -0.788 119.600 120.400 -0.019 0.000 2.137 1002 D HA -0.136 4.504 4.640 -0.000 0.000 0.202 1002 D C 2.066 178.285 176.300 -0.135 0.000 0.970 1002 D CA 1.198 55.139 54.000 -0.098 0.000 0.837 1002 D CB -0.132 40.722 40.800 0.090 0.000 0.981 1002 D HN 0.388 nan 8.370 nan 0.000 0.475 1003 E N 0.043 120.128 120.200 -0.192 0.000 2.118 1003 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 1003 E C 1.983 178.537 176.600 -0.077 0.000 0.992 1003 E CA 0.939 57.222 56.400 -0.193 0.000 0.804 1003 E CB -0.264 29.185 29.700 -0.419 0.000 0.741 1003 E HN 0.330 nan 8.360 nan 0.000 0.458 1004 M N 0.321 119.869 119.600 -0.087 0.000 2.065 1004 M HA -0.244 4.236 4.480 -0.000 0.000 0.259 1004 M C 2.402 178.716 176.300 0.022 0.000 1.069 1004 M CA 2.050 57.351 55.300 0.001 0.000 1.110 1004 M CB -0.301 32.281 32.600 -0.030 0.000 1.328 1004 M HN 0.089 nan 8.290 nan 0.000 0.405 1005 R N 0.057 120.472 120.500 -0.143 0.000 2.092 1005 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 1005 R C 1.963 178.245 176.300 -0.031 0.000 1.119 1005 R CA 1.448 57.463 56.100 -0.141 0.000 0.970 1005 R CB -0.210 29.893 30.300 -0.329 0.000 0.864 1005 R HN 0.453 nan 8.270 nan 0.000 0.440 1006 R N -0.659 119.844 120.500 0.004 0.000 2.200 1006 R HA -0.036 4.304 4.340 -0.000 0.000 0.208 1006 R C 1.965 178.314 176.300 0.082 0.000 1.033 1006 R CA 0.699 56.821 56.100 0.036 0.000 1.000 1006 R CB -0.228 30.098 30.300 0.043 0.000 0.906 1006 R HN 0.188 nan 8.270 nan 0.000 0.462 1007 F N 1.795 121.716 119.950 -0.049 0.000 2.171 1007 F HA -0.172 4.355 4.527 0.000 0.000 0.300 1007 F C 1.775 177.556 175.800 -0.033 0.000 1.090 1007 F CA 1.095 59.072 58.000 -0.039 0.000 1.293 1007 F CB -0.057 38.915 39.000 -0.046 0.000 1.013 1007 F HN -0.170 nan 8.300 nan 0.000 0.486 1008 I N 0.475 120.947 120.570 -0.162 0.000 2.113 1008 I HA -0.315 3.855 4.170 -0.000 0.000 0.238 1008 I C 2.732 178.755 176.117 -0.157 0.000 1.070 1008 I CA 1.382 62.553 61.300 -0.215 0.000 1.332 1008 I CB -1.450 36.512 38.000 -0.064 0.000 1.044 1008 I HN 0.192 nan 8.210 nan 0.000 0.402 1009 I N 0.606 121.126 120.570 -0.084 0.000 2.113 1009 I HA -0.422 3.748 4.170 -0.000 0.000 0.242 1009 I C 2.947 178.987 176.117 -0.128 0.000 1.057 1009 I CA 1.742 62.986 61.300 -0.094 0.000 1.314 1009 I CB -0.186 37.761 38.000 -0.089 0.000 1.022 1009 I HN 0.292 nan 8.210 nan 0.000 0.408 1010 R N -0.183 120.247 120.500 -0.116 0.000 2.062 1010 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 1010 R C 2.408 178.635 176.300 -0.121 0.000 1.136 1010 R CA 1.059 57.098 56.100 -0.101 0.000 0.948 1010 R CB -0.422 29.856 30.300 -0.036 0.000 0.845 1010 R HN 0.377 nan 8.270 nan 0.000 0.430 1011 R N 0.889 121.273 120.500 -0.192 0.000 2.113 1011 R HA -0.095 4.245 4.340 -0.000 0.000 0.244 1011 R C 1.382 177.601 176.300 -0.134 0.000 1.142 1011 R CA 1.691 57.670 56.100 -0.202 0.000 0.953 1011 R CB -0.517 29.569 30.300 -0.357 0.000 0.860 1011 R HN 0.221 nan 8.270 nan 0.000 0.438 1012 S N 0.360 115.987 115.700 -0.122 0.000 2.468 1012 S HA 0.292 4.762 4.470 -0.000 0.000 0.190 1012 S C -2.191 172.372 174.600 -0.063 0.000 1.445 1012 S CA -1.467 56.690 58.200 -0.071 0.000 1.084 1012 S CB 1.628 64.803 63.200 -0.043 0.000 1.175 1012 S HN -0.131 nan 8.310 nan 0.000 0.484 1013 P HA -0.041 nan 4.420 nan 0.000 0.214 1013 P C 1.949 179.215 177.300 -0.057 0.000 1.163 1013 P CA 1.722 64.772 63.100 -0.083 0.000 0.889 1013 P CB -0.391 31.268 31.700 -0.069 0.000 0.790 1014 G N -0.672 108.111 108.800 -0.029 0.000 2.764 1014 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 1014 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 1014 G C 1.375 176.281 174.900 0.010 0.000 1.259 1014 G CA 1.588 46.684 45.100 -0.006 0.000 0.793 1014 G HN 0.480 nan 8.290 nan 0.000 0.633 1015 G N -1.652 107.170 108.800 0.037 0.000 2.766 1015 G HA2 0.279 4.239 3.960 -0.000 0.000 0.206 1015 G HA3 0.279 4.239 3.960 -0.000 0.000 0.206 1015 G C 1.126 176.088 174.900 0.104 0.000 2.072 1015 G CA 0.581 45.730 45.100 0.082 0.000 0.798 1015 G HN 0.352 nan 8.290 nan 0.000 0.703 1016 W N 0.693 121.988 121.300 -0.009 0.000 2.348 1016 W HA -0.092 4.567 4.660 -0.000 0.000 0.324 1016 W C 2.745 179.275 176.519 0.018 0.000 1.209 1016 W CA 2.313 59.661 57.345 0.005 0.000 1.275 1016 W CB -0.666 28.795 29.460 0.001 0.000 1.175 1016 W HN 0.056 nan 8.180 nan 0.000 0.461 1017 V N 0.733 120.719 119.914 0.121 0.000 2.392 1017 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 1017 V C 2.218 178.243 176.094 -0.114 0.000 1.059 1017 V CA 2.405 64.667 62.300 -0.062 0.000 1.051 1017 V CB -0.969 30.924 31.823 0.116 0.000 0.658 1017 V HN 0.337 nan 8.190 nan 0.000 0.455 1018 E N 0.461 120.628 120.200 -0.056 0.000 2.047 1018 E HA -0.273 4.077 4.350 -0.000 0.000 0.191 1018 E C 2.281 178.886 176.600 0.008 0.000 0.987 1018 E CA 1.492 57.881 56.400 -0.018 0.000 0.799 1018 E CB -0.087 29.562 29.700 -0.084 0.000 0.752 1018 E HN 0.849 nan 8.360 nan 0.000 0.449 1019 Q N -0.659 119.092 119.800 -0.081 0.000 2.472 1019 Q HA -0.053 4.287 4.340 -0.000 0.000 0.208 1019 Q C 1.242 177.138 176.000 -0.173 0.000 0.958 1019 Q CA 0.663 56.416 55.803 -0.083 0.000 0.932 1019 Q CB 0.329 29.026 28.738 -0.069 0.000 1.007 1019 Q HN 0.185 nan 8.270 nan 0.000 0.508 1020 E N 0.943 120.955 120.200 -0.313 0.000 2.340 1020 E HA 0.018 4.368 4.350 -0.000 0.000 0.198 1020 E C 0.987 177.470 176.600 -0.195 0.000 0.961 1020 E CA 1.503 57.683 56.400 -0.367 0.000 0.905 1020 E CB 1.059 30.288 29.700 -0.784 0.000 0.884 1020 E HN 0.563 nan 8.360 nan 0.000 0.491 1021 T N -2.678 111.814 114.554 -0.103 0.000 3.087 1021 T HA 0.067 4.417 4.350 -0.000 0.000 0.283 1021 T C 0.284 175.085 174.700 0.168 0.000 0.956 1021 T CA -0.439 61.665 62.100 0.006 0.000 0.894 1021 T CB -0.443 68.439 68.868 0.023 0.000 1.160 1021 T HN -0.043 nan 8.240 nan 0.000 0.532 1022 Y N 3.559 123.888 120.300 0.049 0.000 2.667 1022 Y HA 0.466 5.016 4.550 0.000 0.000 0.340 1022 Y C -0.282 175.745 175.900 0.213 0.000 1.303 1022 Y CA -2.167 56.024 58.100 0.152 0.000 1.769 1022 Y CB -1.628 36.874 38.460 0.069 0.000 1.804 1022 Y HN 0.198 nan 8.280 nan 0.000 0.451 1023 Y N 0.000 120.167 120.300 -0.221 0.000 2.660 1023 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1023 Y CA 0.000 57.940 58.100 -0.266 0.000 1.940 1023 Y CB 0.000 38.251 38.460 -0.348 0.000 1.050 1023 Y HN 0.000 nan 8.280 nan 0.000 0.758