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 3phf_1_3 DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.707 176.870 -0.272 0.000 1.165 20 L CA 0.000 54.822 54.840 -0.030 0.000 0.813 20 L CB 0.000 42.102 42.059 0.071 0.000 0.961 21 S N -0.267 115.039 115.700 -0.657 0.000 3.641 21 S HA -0.135 4.335 4.470 0.000 0.000 0.346 21 S C -0.191 173.681 174.600 -1.213 0.000 1.074 21 S CA 1.528 58.848 58.200 -1.467 0.000 1.026 21 S CB -1.374 61.420 63.200 -0.677 0.000 0.908 21 S HN 0.974 nan 8.310 nan 0.000 0.479 22 E N -0.517 119.137 120.200 -0.910 0.000 2.677 22 E HA 0.554 4.904 4.350 0.000 0.000 0.330 22 E C -1.329 175.211 176.600 -0.100 0.000 0.933 22 E CA -0.353 55.770 56.400 -0.463 0.000 0.797 22 E CB 1.237 30.770 29.700 -0.280 0.000 1.326 22 E HN 0.102 nan 8.360 nan 0.000 0.404 23 V N 4.411 124.341 119.914 0.026 0.000 2.841 23 V HA 0.610 4.730 4.120 0.000 0.000 0.310 23 V C -0.665 175.448 176.094 0.031 0.000 1.090 23 V CA -0.920 61.444 62.300 0.107 0.000 0.930 23 V CB 2.352 34.311 31.823 0.226 0.000 1.014 23 V HN 0.536 nan 8.190 nan 0.000 0.425 24 K N 4.419 124.810 120.400 -0.015 0.000 2.535 24 K HA 0.611 4.931 4.320 0.000 0.000 0.253 24 K C -1.012 175.404 176.600 -0.306 0.000 0.953 24 K CA -0.650 55.568 56.287 -0.115 0.000 0.863 24 K CB 2.018 34.474 32.500 -0.074 0.000 1.111 24 K HN 0.575 nan 8.250 nan 0.000 0.431 25 L N -0.406 120.628 121.223 -0.316 0.000 2.431 25 L HA 0.549 4.889 4.340 0.000 0.000 0.260 25 L C -0.290 176.148 176.870 -0.720 0.000 1.098 25 L CA -0.068 54.567 54.840 -0.341 0.000 0.800 25 L CB 0.613 42.631 42.059 -0.069 0.000 1.210 25 L HN 0.448 nan 8.230 nan 0.000 0.465 26 H N 1.155 120.195 119.070 -0.050 0.000 3.177 26 H HA 0.365 4.921 4.556 0.000 0.000 0.314 26 H C -0.287 175.026 175.328 -0.026 0.000 1.059 26 H CA -0.617 55.326 56.048 -0.174 0.000 1.515 26 H CB 1.632 31.176 29.762 -0.363 0.000 1.672 26 H HN 0.674 nan 8.280 nan 0.000 0.514 27 L N 1.908 123.229 121.223 0.164 0.000 2.360 27 L HA 0.055 4.395 4.340 0.000 0.000 0.161 27 L C 0.104 177.059 176.870 0.142 0.000 0.874 27 L CA 0.974 55.921 54.840 0.179 0.000 1.257 27 L CB 0.369 42.604 42.059 0.293 0.000 1.645 27 L HN 0.687 nan 8.230 nan 0.000 0.442 28 D N -0.589 119.897 120.400 0.143 0.000 3.171 28 D HA 0.222 4.862 4.640 0.000 0.000 0.240 28 D C -0.851 175.521 176.300 0.120 0.000 1.432 28 D CA -0.174 53.898 54.000 0.121 0.000 0.892 28 D CB -0.069 40.782 40.800 0.086 0.000 1.499 28 D HN 0.282 nan 8.370 nan 0.000 0.597 29 I N 1.599 122.255 120.570 0.144 0.000 2.815 29 I HA -0.011 4.159 4.170 0.000 0.000 0.291 29 I C 0.814 177.010 176.117 0.132 0.000 1.209 29 I CA 0.013 61.388 61.300 0.125 0.000 1.431 29 I CB 0.599 38.667 38.000 0.114 0.000 1.351 29 I HN 0.223 nan 8.210 nan 0.000 0.585 30 E N 5.406 125.667 120.200 0.102 0.000 2.905 30 E HA -0.077 4.273 4.350 0.000 0.000 0.240 30 E C 1.062 177.773 176.600 0.184 0.000 0.990 30 E CA 1.019 57.482 56.400 0.105 0.000 0.954 30 E CB -0.337 29.407 29.700 0.073 0.000 0.908 30 E HN 0.931 nan 8.360 nan 0.000 0.532 31 G N 3.312 112.204 108.800 0.154 0.000 2.205 31 G HA2 -0.272 3.688 3.960 0.000 0.000 0.261 31 G HA3 -0.272 3.688 3.960 0.000 0.000 0.261 31 G C -0.026 174.884 174.900 0.016 0.000 0.980 31 G CA 0.595 45.775 45.100 0.133 0.000 0.632 31 G HN 0.625 nan 8.290 nan 0.000 0.533 32 H N -0.390 118.702 119.070 0.037 0.000 2.895 32 H HA 0.732 5.288 4.556 0.000 0.000 0.373 32 H C 0.139 175.507 175.328 0.067 0.000 1.174 32 H CA 0.022 56.095 56.048 0.042 0.000 1.144 32 H CB 1.739 31.522 29.762 0.035 0.000 1.793 32 H HN 0.612 nan 8.280 nan 0.000 0.551 33 A N 1.929 124.857 122.820 0.180 0.000 2.269 33 A HA 0.527 4.847 4.320 0.000 0.000 0.302 33 A C -0.269 177.480 177.584 0.274 0.000 1.266 33 A CA -0.432 51.728 52.037 0.205 0.000 0.894 33 A CB 0.065 19.198 19.000 0.222 0.000 1.147 33 A HN 0.578 nan 8.150 nan 0.000 0.537 34 S N 1.257 117.097 115.700 0.233 0.000 2.585 34 S HA 0.532 5.002 4.470 0.000 0.000 0.277 34 S C -0.761 173.934 174.600 0.158 0.000 1.241 34 S CA -0.270 58.016 58.200 0.143 0.000 1.041 34 S CB 0.469 63.745 63.200 0.126 0.000 0.987 34 S HN 0.718 nan 8.310 nan 0.000 0.512 35 H N 1.150 120.030 119.070 -0.316 0.000 2.970 35 H HA 0.436 4.992 4.556 0.000 0.000 0.315 35 H C -1.504 173.559 175.328 -0.441 0.000 0.992 35 H CA -0.298 55.624 56.048 -0.211 0.000 1.363 35 H CB 0.323 30.062 29.762 -0.039 0.000 1.532 35 H HN 0.484 nan 8.280 nan 0.000 0.514 36 Y N 0.958 121.248 120.300 -0.015 0.000 2.376 36 Y HA 0.432 4.982 4.550 0.000 0.000 0.340 36 Y C 0.266 176.117 175.900 -0.082 0.000 0.965 36 Y CA -1.034 57.051 58.100 -0.025 0.000 1.078 36 Y CB 1.964 40.410 38.460 -0.022 0.000 1.193 36 Y HN 0.499 nan 8.280 nan 0.000 0.452 37 T N 1.349 115.965 114.554 0.104 0.000 2.791 37 T HA 0.663 5.013 4.350 0.000 0.000 0.288 37 T C -0.615 174.119 174.700 0.057 0.000 0.999 37 T CA -0.593 61.529 62.100 0.036 0.000 0.952 37 T CB 0.192 69.071 68.868 0.017 0.000 0.938 37 T HN 0.502 nan 8.240 nan 0.000 0.444 38 I N 5.230 125.835 120.570 0.059 0.000 2.310 38 I HA 0.296 4.466 4.170 0.000 0.000 0.287 38 I C -2.419 173.752 176.117 0.091 0.000 1.073 38 I CA -2.516 58.837 61.300 0.089 0.000 1.216 38 I CB 1.401 39.473 38.000 0.121 0.000 1.415 38 I HN 0.381 nan 8.210 nan 0.000 0.480 39 P HA 0.047 nan 4.420 nan 0.000 0.256 39 P C 0.664 177.916 177.300 -0.081 0.000 1.689 39 P CA -0.428 62.596 63.100 -0.127 0.000 1.124 39 P CB -0.073 31.562 31.700 -0.110 0.000 1.766 40 W N 1.602 122.881 121.300 -0.035 0.000 2.721 40 W HA -0.064 4.596 4.660 0.000 0.000 0.245 40 W C 0.992 177.496 176.519 -0.025 0.000 1.276 40 W CA 0.725 58.051 57.345 -0.032 0.000 1.342 40 W CB -2.045 27.390 29.460 -0.042 0.000 1.135 40 W HN 0.176 nan 8.180 nan 0.000 0.654 41 T N 1.092 115.456 114.554 -0.317 0.000 2.777 41 T HA -0.259 4.091 4.350 0.000 0.000 0.266 41 T C 1.756 176.401 174.700 -0.091 0.000 1.040 41 T CA 2.186 64.126 62.100 -0.268 0.000 1.141 41 T CB -0.180 68.453 68.868 -0.391 0.000 0.868 41 T HN 0.308 nan 8.240 nan 0.000 0.444 42 E N -0.283 119.871 120.200 -0.076 0.000 2.158 42 E HA -0.010 4.340 4.350 0.000 0.000 0.191 42 E C 2.334 178.940 176.600 0.010 0.000 0.982 42 E CA 0.458 56.840 56.400 -0.031 0.000 0.823 42 E CB -0.165 29.515 29.700 -0.033 0.000 0.766 42 E HN 0.532 nan 8.360 nan 0.000 0.468 43 L N 0.401 121.648 121.223 0.039 0.000 2.046 43 L HA -0.168 4.172 4.340 0.000 0.000 0.208 43 L C 2.732 179.644 176.870 0.070 0.000 1.077 43 L CA 1.069 55.947 54.840 0.064 0.000 0.747 43 L CB -0.309 41.811 42.059 0.102 0.000 0.896 43 L HN 0.282 nan 8.230 nan 0.000 0.432 44 M N -0.882 118.775 119.600 0.094 0.000 2.346 44 M HA -0.199 4.281 4.480 0.000 0.000 0.263 44 M C 2.343 178.677 176.300 0.056 0.000 1.064 44 M CA 1.619 56.973 55.300 0.091 0.000 1.083 44 M CB -0.463 32.212 32.600 0.125 0.000 1.399 44 M HN 0.342 nan 8.290 nan 0.000 0.435 45 A N 0.360 123.203 122.820 0.038 0.000 1.874 45 A HA -0.088 4.232 4.320 0.000 0.000 0.214 45 A C 2.059 179.659 177.584 0.025 0.000 1.189 45 A CA 1.220 53.272 52.037 0.026 0.000 0.615 45 A CB -0.299 18.708 19.000 0.012 0.000 0.830 45 A HN 0.362 nan 8.150 nan 0.000 0.443 46 K N -0.704 119.711 120.400 0.025 0.000 2.486 46 K HA 0.154 4.474 4.320 0.000 0.000 0.194 46 K C -0.602 176.014 176.600 0.028 0.000 1.033 46 K CA 0.212 56.513 56.287 0.023 0.000 1.004 46 K CB 0.157 32.669 32.500 0.020 0.000 0.798 46 K HN 0.323 nan 8.250 nan 0.000 0.495 47 V N 1.571 121.505 119.914 0.034 0.000 2.680 47 V HA 0.146 4.266 4.120 0.000 0.000 0.309 47 V C -1.677 174.440 176.094 0.038 0.000 1.052 47 V CA -1.423 60.898 62.300 0.036 0.000 0.908 47 V CB 1.781 33.627 31.823 0.038 0.000 1.001 47 V HN -0.019 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.340 178.661 177.300 0.035 0.000 1.173 48 P CA 1.197 64.319 63.100 0.036 0.000 0.898 48 P CB 0.411 32.134 31.700 0.038 0.000 0.758 49 G N 0.242 109.061 108.800 0.032 0.000 2.776 49 G HA2 -0.023 3.937 3.960 0.000 0.000 0.209 49 G HA3 -0.023 3.937 3.960 0.000 0.000 0.209 49 G C 0.732 175.647 174.900 0.026 0.000 1.145 49 G CA -0.257 44.859 45.100 0.027 0.000 0.791 49 G HN 0.223 nan 8.290 nan 0.000 0.530 50 L N 2.807 124.048 121.223 0.029 0.000 2.454 50 L HA 0.270 4.610 4.340 0.000 0.000 0.284 50 L C 0.091 176.979 176.870 0.030 0.000 1.139 50 L CA -0.441 54.414 54.840 0.025 0.000 0.911 50 L CB 0.514 42.594 42.059 0.034 0.000 1.262 50 L HN 0.132 nan 8.230 nan 0.000 0.453 51 S N 4.220 119.928 115.700 0.013 0.000 2.328 51 S HA 0.342 4.812 4.470 0.000 0.000 0.204 51 S C -1.437 173.146 174.600 -0.028 0.000 1.475 51 S CA -1.193 57.014 58.200 0.012 0.000 1.148 51 S CB 0.830 64.043 63.200 0.022 0.000 1.077 51 S HN 0.490 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.217 52 P C 1.282 178.477 177.300 -0.175 0.000 1.151 52 P CA 1.329 64.309 63.100 -0.200 0.000 0.849 52 P CB 0.231 31.670 31.700 -0.436 0.000 0.787 53 E N -0.031 120.073 120.200 -0.160 0.000 2.097 53 E HA -0.173 4.177 4.350 0.000 0.000 0.196 53 E C 2.184 178.811 176.600 0.045 0.000 1.000 53 E CA 1.661 58.019 56.400 -0.071 0.000 0.804 53 E CB -0.803 28.879 29.700 -0.030 0.000 0.740 53 E HN 0.257 nan 8.360 nan 0.000 0.454 54 A N 0.815 123.658 122.820 0.038 0.000 1.854 54 A HA -0.102 4.218 4.320 0.000 0.000 0.214 54 A C 2.453 180.095 177.584 0.095 0.000 1.192 54 A CA 1.062 53.139 52.037 0.067 0.000 0.611 54 A CB -0.784 18.249 19.000 0.054 0.000 0.832 54 A HN 0.209 nan 8.150 nan 0.000 0.442 55 L N -1.415 119.850 121.223 0.070 0.000 2.079 55 L HA -0.232 4.108 4.340 0.000 0.000 0.210 55 L C 2.625 179.582 176.870 0.143 0.000 1.081 55 L CA 1.545 56.428 54.840 0.072 0.000 0.752 55 L CB -0.505 41.495 42.059 -0.099 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.280 122.543 121.300 -0.061 0.000 2.374 56 W HA -0.235 4.425 4.660 0.000 0.000 0.288 56 W C 2.531 179.055 176.519 0.009 0.000 1.218 56 W CA 1.404 58.718 57.345 -0.052 0.000 1.245 56 W CB 0.009 29.386 29.460 -0.139 0.000 1.126 56 W HN 0.108 nan 8.180 nan 0.000 0.545 57 R N 1.009 121.552 120.500 0.071 0.000 2.100 57 R HA -0.061 4.279 4.340 0.000 0.000 0.220 57 R C 2.151 178.442 176.300 -0.016 0.000 1.091 57 R CA 1.768 57.864 56.100 -0.006 0.000 0.986 57 R CB -0.839 29.506 30.300 0.075 0.000 0.888 57 R HN 0.146 nan 8.270 nan 0.000 0.444 58 E N 0.347 120.587 120.200 0.067 0.000 2.070 58 E HA -0.145 4.205 4.350 0.000 0.000 0.197 58 E C 0.057 176.666 176.600 0.016 0.000 1.004 58 E CA 1.275 57.729 56.400 0.090 0.000 0.805 58 E CB -0.250 29.589 29.700 0.233 0.000 0.744 58 E HN 0.340 nan 8.360 nan 0.000 0.451 59 A N 2.304 125.144 122.820 0.034 0.000 2.437 59 A HA 0.065 4.385 4.320 0.000 0.000 0.303 59 A C -0.044 177.414 177.584 -0.209 0.000 1.324 59 A CA -0.339 51.649 52.037 -0.080 0.000 0.983 59 A CB -0.059 18.961 19.000 0.034 0.000 1.142 59 A HN 0.054 nan 8.150 nan 0.000 0.541 60 N N 2.767 121.371 118.700 -0.160 0.000 2.349 60 N HA -0.037 4.703 4.740 0.000 0.000 0.296 60 N C 1.542 176.913 175.510 -0.231 0.000 1.304 60 N CA 0.438 53.387 53.050 -0.168 0.000 1.051 60 N CB 0.397 38.820 38.487 -0.107 0.000 1.466 60 N HN 0.568 nan 8.380 nan 0.000 0.487 61 V N 0.852 120.543 119.914 -0.373 0.000 2.427 61 V HA -0.171 3.949 4.120 0.000 0.000 0.248 61 V C 2.060 178.032 176.094 -0.204 0.000 1.051 61 V CA 2.014 64.061 62.300 -0.421 0.000 1.048 61 V CB -1.323 29.999 31.823 -0.835 0.000 0.666 61 V HN 0.616 nan 8.190 nan 0.000 0.456 62 T N -1.390 113.079 114.554 -0.142 0.000 3.148 62 T HA 0.045 4.395 4.350 0.000 0.000 0.253 62 T C 0.754 175.416 174.700 -0.064 0.000 1.134 62 T CA 0.250 62.311 62.100 -0.064 0.000 1.051 62 T CB -0.517 68.335 68.868 -0.026 0.000 0.959 62 T HN 0.709 nan 8.240 nan 0.000 0.525 63 E N 3.449 123.595 120.200 -0.089 0.000 2.415 63 E HA 0.007 4.357 4.350 0.000 0.000 0.260 63 E C -0.038 176.518 176.600 -0.073 0.000 1.016 63 E CA -0.591 55.761 56.400 -0.079 0.000 0.924 63 E CB 0.380 30.022 29.700 -0.097 0.000 0.961 63 E HN 0.536 nan 8.360 nan 0.000 0.459 64 D N 3.796 124.161 120.400 -0.058 0.000 2.361 64 D HA -0.100 4.540 4.640 0.000 0.000 0.239 64 D C 1.083 177.343 176.300 -0.067 0.000 1.200 64 D CA -0.476 53.492 54.000 -0.053 0.000 0.915 64 D CB 1.008 41.783 40.800 -0.040 0.000 1.170 64 D HN 0.362 nan 8.370 nan 0.000 0.444 65 L N 1.682 122.866 121.223 -0.065 0.000 2.027 65 L HA -0.094 4.246 4.340 0.000 0.000 0.206 65 L C 2.586 179.412 176.870 -0.074 0.000 1.074 65 L CA 2.160 56.953 54.840 -0.077 0.000 0.745 65 L CB -1.285 40.732 42.059 -0.070 0.000 0.898 65 L HN 0.685 nan 8.230 nan 0.000 0.433 66 A N -1.452 121.333 122.820 -0.057 0.000 1.884 66 A HA -0.274 4.046 4.320 0.000 0.000 0.219 66 A C 2.409 179.960 177.584 -0.054 0.000 1.197 66 A CA 2.503 54.510 52.037 -0.050 0.000 0.637 66 A CB -1.061 17.916 19.000 -0.039 0.000 0.827 66 A HN 0.516 nan 8.150 nan 0.000 0.450 67 S N -0.899 114.766 115.700 -0.057 0.000 2.406 67 S HA -0.098 4.372 4.470 0.000 0.000 0.228 67 S C 1.961 176.510 174.600 -0.085 0.000 1.020 67 S CA 1.251 59.413 58.200 -0.063 0.000 0.965 67 S CB -0.323 62.843 63.200 -0.057 0.000 0.798 67 S HN 0.633 nan 8.310 nan 0.000 0.488 68 M N 1.274 120.815 119.600 -0.098 0.000 2.108 68 M HA -0.116 4.364 4.480 0.000 0.000 0.261 68 M C 1.671 177.895 176.300 -0.126 0.000 1.066 68 M CA 1.524 56.748 55.300 -0.128 0.000 1.107 68 M CB -0.559 31.955 32.600 -0.143 0.000 1.356 68 M HN 0.242 nan 8.290 nan 0.000 0.406 69 L N 1.390 122.553 121.223 -0.100 0.000 2.197 69 L HA -0.272 4.068 4.340 0.000 0.000 0.215 69 L C 1.853 178.725 176.870 0.005 0.000 1.095 69 L CA 1.962 56.769 54.840 -0.056 0.000 0.764 69 L CB -1.095 40.939 42.059 -0.042 0.000 0.897 69 L HN 0.498 nan 8.230 nan 0.000 0.436 70 N N -1.026 117.649 118.700 -0.040 0.000 2.250 70 N HA -0.128 4.612 4.740 0.000 0.000 0.181 70 N C 1.540 177.006 175.510 -0.073 0.000 1.017 70 N CA 0.221 53.248 53.050 -0.040 0.000 0.866 70 N CB -0.144 38.306 38.487 -0.062 0.000 0.985 70 N HN 0.230 nan 8.380 nan 0.000 0.429 71 R N -0.056 120.354 120.500 -0.149 0.000 2.362 71 R HA -0.106 4.234 4.340 0.000 0.000 0.204 71 R C 0.615 176.911 176.300 -0.007 0.000 1.088 71 R CA 0.518 56.478 56.100 -0.233 0.000 1.121 71 R CB -0.077 30.027 30.300 -0.327 0.000 0.954 71 R HN 0.469 nan 8.270 nan 0.000 0.478 72 Y N -0.979 119.237 120.300 -0.140 0.000 2.731 72 Y HA 0.120 4.670 4.550 0.000 0.000 0.269 72 Y C 1.115 177.040 175.900 0.041 0.000 1.156 72 Y CA -0.110 57.888 58.100 -0.171 0.000 1.191 72 Y CB 0.272 38.447 38.460 -0.475 0.000 1.382 72 Y HN -0.033 nan 8.280 nan 0.000 0.477 73 K N 2.273 122.582 120.400 -0.151 0.000 2.505 73 K HA 0.105 4.425 4.320 0.000 0.000 0.192 73 K C 1.153 177.830 176.600 0.127 0.000 1.025 73 K CA 1.188 57.399 56.287 -0.126 0.000 1.086 73 K CB -0.213 32.306 32.500 0.032 0.000 0.840 73 K HN 0.628 nan 8.250 nan 0.000 0.514 74 L N -1.427 119.848 121.223 0.086 0.000 2.463 74 L HA 0.338 4.678 4.340 0.000 0.000 0.219 74 L C 0.276 177.167 176.870 0.035 0.000 1.088 74 L CA -0.427 54.523 54.840 0.182 0.000 0.849 74 L CB 0.046 42.172 42.059 0.112 0.000 1.012 74 L HN -0.084 nan 8.230 nan 0.000 0.468 75 I N 1.051 121.559 120.570 -0.103 0.000 2.575 75 I HA 0.046 4.216 4.170 0.000 0.000 0.285 75 I C 0.097 175.795 176.117 -0.698 0.000 1.085 75 I CA -0.339 60.810 61.300 -0.252 0.000 1.403 75 I CB 0.096 38.011 38.000 -0.141 0.000 1.409 75 I HN 0.082 nan 8.210 nan 0.000 0.557 76 Y N 6.513 126.324 120.300 -0.816 0.000 2.610 76 Y HA 0.019 4.569 4.550 0.000 0.000 0.332 76 Y C 0.264 175.785 175.900 -0.632 0.000 1.201 76 Y CA 0.218 57.684 58.100 -1.056 0.000 1.465 76 Y CB 0.334 38.403 38.460 -0.653 0.000 1.283 76 Y HN 0.339 nan 8.280 nan 0.000 0.563 77 K N 5.446 125.147 120.400 -1.166 0.000 2.334 77 K HA 0.112 4.432 4.320 0.000 0.000 0.265 77 K C -0.196 175.851 176.600 -0.922 0.000 1.039 77 K CA -0.424 55.442 56.287 -0.701 0.000 0.920 77 K CB 1.172 33.516 32.500 -0.259 0.000 1.160 77 K HN 0.829 nan 8.250 nan 0.000 0.451 78 T N 1.188 115.345 114.554 -0.661 0.000 2.934 78 T HA -0.048 4.302 4.350 0.000 0.000 0.306 78 T C 0.567 175.121 174.700 -0.243 0.000 1.042 78 T CA 0.466 62.322 62.100 -0.408 0.000 1.145 78 T CB 0.223 69.006 68.868 -0.142 0.000 0.982 78 T HN 0.387 nan 8.240 nan 0.000 0.544 79 S N 4.231 119.842 115.700 -0.148 0.000 4.085 79 S HA 0.484 4.954 4.470 0.000 0.000 0.189 79 S C 0.860 175.440 174.600 -0.033 0.000 1.392 79 S CA 0.501 58.661 58.200 -0.068 0.000 0.972 79 S CB -1.748 61.446 63.200 -0.010 0.000 1.482 79 S HN 1.358 nan 8.310 nan 0.000 0.446 80 G N 1.606 110.381 108.800 -0.042 0.000 2.545 80 G HA2 -0.147 3.813 3.960 0.000 0.000 0.216 80 G HA3 -0.147 3.813 3.960 0.000 0.000 0.216 80 G C -0.470 174.418 174.900 -0.020 0.000 1.314 80 G CA -0.371 44.717 45.100 -0.020 0.000 0.906 80 G HN 0.675 nan 8.290 nan 0.000 0.563 81 T N 0.178 114.725 114.554 -0.012 0.000 2.853 81 T HA 0.570 4.920 4.350 0.000 0.000 0.311 81 T C -0.672 174.021 174.700 -0.012 0.000 1.307 81 T CA -0.774 61.313 62.100 -0.023 0.000 1.019 81 T CB 1.849 70.701 68.868 -0.026 0.000 1.264 81 T HN 0.709 nan 8.240 nan 0.000 0.497 82 L N 2.327 123.535 121.223 -0.026 0.000 2.290 82 L HA 0.519 4.859 4.340 0.000 0.000 0.284 82 L C 0.843 177.732 176.870 0.031 0.000 1.078 82 L CA 0.068 54.913 54.840 0.007 0.000 0.815 82 L CB 0.779 42.846 42.059 0.013 0.000 1.162 82 L HN 0.966 nan 8.230 nan 0.000 0.435 83 G N 6.556 115.385 108.800 0.049 0.000 2.457 83 G HA2 0.555 4.515 3.960 0.000 0.000 0.316 83 G HA3 0.555 4.515 3.960 0.000 0.000 0.316 83 G C -0.377 174.577 174.900 0.089 0.000 1.030 83 G CA -0.253 44.886 45.100 0.065 0.000 1.073 83 G HN 0.538 nan 8.290 nan 0.000 0.430 84 I N 1.382 122.030 120.570 0.129 0.000 2.619 84 I HA 0.439 4.609 4.170 0.000 0.000 0.292 84 I C 0.180 176.387 176.117 0.149 0.000 1.100 84 I CA -1.187 60.199 61.300 0.143 0.000 1.043 84 I CB 2.521 40.634 38.000 0.189 0.000 1.239 84 I HN 0.471 nan 8.210 nan 0.000 0.420 85 A N 7.517 130.402 122.820 0.109 0.000 2.415 85 A HA 0.651 4.971 4.320 0.000 0.000 0.309 85 A C -0.758 176.880 177.584 0.090 0.000 1.356 85 A CA -0.177 51.918 52.037 0.096 0.000 0.998 85 A CB -0.169 18.872 19.000 0.069 0.000 1.145 85 A HN 0.453 nan 8.150 nan 0.000 0.545 86 L N 2.781 124.068 121.223 0.108 0.000 2.353 86 L HA 0.570 4.910 4.340 0.000 0.000 0.270 86 L C 0.389 177.316 176.870 0.096 0.000 1.003 86 L CA -0.409 54.475 54.840 0.074 0.000 0.862 86 L CB 0.367 42.444 42.059 0.030 0.000 1.221 86 L HN 0.706 nan 8.230 nan 0.000 0.430 87 A N 2.980 125.842 122.820 0.070 0.000 2.301 87 A HA 0.524 4.844 4.320 0.000 0.000 0.312 87 A C 0.359 177.985 177.584 0.070 0.000 1.182 87 A CA -0.528 51.556 52.037 0.078 0.000 0.826 87 A CB 0.614 19.646 19.000 0.053 0.000 1.134 87 A HN 0.678 nan 8.150 nan 0.000 0.501 88 E N 1.772 122.033 120.200 0.103 0.000 2.452 88 E HA 0.141 4.491 4.350 0.000 0.000 0.261 88 E C -1.970 174.656 176.600 0.043 0.000 0.987 88 E CA -0.688 55.765 56.400 0.089 0.000 0.926 88 E CB 0.138 29.914 29.700 0.126 0.000 0.934 88 E HN 0.422 nan 8.360 nan 0.000 0.452 89 P HA 0.058 nan 4.420 nan 0.000 0.279 89 P C -0.534 176.772 177.300 0.010 0.000 1.252 89 P CA -0.527 62.587 63.100 0.024 0.000 0.811 89 P CB 0.672 32.392 31.700 0.033 0.000 1.035 90 V N 1.187 121.101 119.914 0.001 0.000 3.032 90 V HA -0.069 4.051 4.120 0.000 0.000 0.307 90 V C 0.544 176.597 176.094 -0.068 0.000 1.097 90 V CA 1.244 63.522 62.300 -0.036 0.000 1.191 90 V CB 0.856 32.664 31.823 -0.026 0.000 0.964 90 V HN 0.670 nan 8.190 nan 0.000 0.494 91 D N 2.508 122.789 120.400 -0.199 0.000 3.041 91 D HA 0.365 5.005 4.640 0.000 0.000 0.201 91 D C -0.126 175.635 176.300 -0.898 0.000 1.432 91 D CA -0.019 53.703 54.000 -0.464 0.000 1.469 91 D CB 0.216 40.764 40.800 -0.419 0.000 1.051 91 D HN 0.530 nan 8.370 nan 0.000 0.203 92 I N 2.666 122.703 120.570 -0.888 0.000 2.428 92 I HA 0.297 4.467 4.170 0.000 0.000 0.289 92 I C -1.852 174.056 176.117 -0.348 0.000 1.019 92 I CA -1.511 59.303 61.300 -0.809 0.000 1.351 92 I CB 1.296 38.869 38.000 -0.711 0.000 1.412 92 I HN 0.161 nan 8.210 nan 0.000 0.513 93 P HA 0.247 nan 4.420 nan 0.000 0.275 93 P C -0.595 176.656 177.300 -0.082 0.000 1.228 93 P CA -0.456 62.589 63.100 -0.092 0.000 0.786 93 P CB 0.923 32.609 31.700 -0.023 0.000 0.927 94 A N 2.755 125.537 122.820 -0.064 0.000 2.492 94 A HA 0.099 4.419 4.320 0.000 0.000 0.236 94 A C 0.568 178.130 177.584 -0.037 0.000 1.078 94 A CA -0.353 51.653 52.037 -0.052 0.000 0.773 94 A CB -0.176 18.800 19.000 -0.041 0.000 1.023 94 A HN 0.520 nan 8.150 nan 0.000 0.504 95 V N 1.644 121.538 119.914 -0.032 0.000 2.999 95 V HA 0.371 4.492 4.120 0.000 0.000 0.307 95 V C 0.669 176.753 176.094 -0.016 0.000 1.084 95 V CA 0.714 63.002 62.300 -0.020 0.000 1.155 95 V CB 1.052 32.864 31.823 -0.018 0.000 0.975 95 V HN 1.039 nan 8.190 nan 0.000 0.490 96 S N 3.457 119.151 115.700 -0.010 0.000 2.759 96 S HA 0.401 4.871 4.470 0.000 0.000 0.310 96 S C 0.581 175.176 174.600 -0.007 0.000 1.123 96 S CA -0.159 58.035 58.200 -0.010 0.000 0.959 96 S CB 1.689 64.883 63.200 -0.010 0.000 1.172 96 S HN 0.916 nan 8.310 nan 0.000 0.539 97 E N 1.098 121.294 120.200 -0.008 0.000 1.997 97 E HA -0.046 4.304 4.350 0.000 0.000 0.196 97 E C 1.328 177.926 176.600 -0.003 0.000 0.990 97 E CA 0.767 57.163 56.400 -0.006 0.000 0.845 97 E CB -0.660 29.036 29.700 -0.007 0.000 0.795 97 E HN 0.765 nan 8.360 nan 0.000 0.479 98 G N 1.164 109.962 108.800 -0.003 0.000 3.266 98 G HA2 -0.009 3.951 3.960 0.000 0.000 0.238 98 G HA3 -0.009 3.951 3.960 0.000 0.000 0.238 98 G C -0.377 174.526 174.900 0.004 0.000 1.076 98 G CA 0.395 45.495 45.100 -0.000 0.000 1.804 98 G HN 0.187 nan 8.290 nan 0.000 0.600 99 S N -0.116 115.588 115.700 0.005 0.000 2.474 99 S HA 0.520 4.990 4.470 0.000 0.000 0.320 99 S C 0.067 174.677 174.600 0.016 0.000 1.067 99 S CA -0.898 57.309 58.200 0.012 0.000 1.127 99 S CB 1.291 64.497 63.200 0.010 0.000 0.971 99 S HN 0.026 nan 8.310 nan 0.000 0.472 100 M N 3.631 123.245 119.600 0.022 0.000 2.628 100 M HA 0.195 4.675 4.480 0.000 0.000 0.326 100 M C 1.318 177.638 176.300 0.032 0.000 1.613 100 M CA 0.096 55.414 55.300 0.030 0.000 1.387 100 M CB -0.063 32.559 32.600 0.037 0.000 1.761 100 M HN 0.628 nan 8.290 nan 0.000 0.459 101 Q N 1.941 121.757 119.800 0.027 0.000 2.133 101 Q HA -0.076 4.264 4.340 0.000 0.000 0.208 101 Q C -0.037 175.972 176.000 0.015 0.000 0.991 101 Q CA 0.883 56.697 55.803 0.018 0.000 0.867 101 Q CB -0.308 28.439 28.738 0.013 0.000 0.911 101 Q HN 0.634 nan 8.270 nan 0.000 0.417 102 V N 2.198 122.132 119.914 0.033 0.000 4.364 102 V HA -0.242 3.878 4.120 0.000 0.000 0.463 102 V C -0.083 175.987 176.094 -0.039 0.000 0.683 102 V CA 0.458 62.768 62.300 0.017 0.000 1.829 102 V CB -1.348 30.486 31.823 0.019 0.000 2.191 102 V HN 0.490 nan 8.190 nan 0.000 0.495 103 D N 4.031 124.393 120.400 -0.063 0.000 2.493 103 D HA 0.417 5.057 4.640 0.000 0.000 0.240 103 D C 1.079 177.308 176.300 -0.118 0.000 1.142 103 D CA 0.772 54.723 54.000 -0.083 0.000 0.872 103 D CB 1.524 42.272 40.800 -0.086 0.000 1.173 103 D HN 0.713 nan 8.370 nan 0.000 0.467 104 A N 3.188 125.932 122.820 -0.127 0.000 1.877 104 A HA -0.159 4.161 4.320 0.000 0.000 0.216 104 A C 2.211 179.649 177.584 -0.242 0.000 1.186 104 A CA 1.778 53.700 52.037 -0.192 0.000 0.620 104 A CB -0.949 17.926 19.000 -0.208 0.000 0.822 104 A HN 0.598 nan 8.150 nan 0.000 0.443 105 S N -0.248 115.342 115.700 -0.183 0.000 2.383 105 S HA -0.132 4.338 4.470 0.000 0.000 0.229 105 S C 0.793 175.359 174.600 -0.057 0.000 1.030 105 S CA 1.546 59.672 58.200 -0.123 0.000 1.002 105 S CB -0.265 62.906 63.200 -0.049 0.000 0.829 105 S HN 0.571 nan 8.310 nan 0.000 0.467 106 K N 1.765 122.104 120.400 -0.100 0.000 2.606 106 K HA 0.400 4.720 4.320 0.000 0.000 0.196 106 K C -1.326 175.136 176.600 -0.230 0.000 1.048 106 K CA -0.376 55.838 56.287 -0.122 0.000 1.017 106 K CB 1.726 34.151 32.500 -0.124 0.000 1.413 106 K HN 0.034 nan 8.250 nan 0.000 0.568 107 V N 3.134 122.952 119.914 -0.160 0.000 2.470 107 V HA 0.003 4.123 4.120 0.000 0.000 0.276 107 V C 0.703 176.711 176.094 -0.142 0.000 1.040 107 V CA -0.635 61.567 62.300 -0.164 0.000 1.008 107 V CB -0.063 31.714 31.823 -0.075 0.000 0.990 107 V HN 0.626 nan 8.190 nan 0.000 0.477 108 H N 8.165 127.234 119.070 -0.002 0.000 3.157 108 H HA 0.016 4.572 4.556 0.000 0.000 0.299 108 H C -1.273 174.057 175.328 0.002 0.000 0.961 108 H CA -1.204 54.845 56.048 0.001 0.000 1.428 108 H CB 0.535 30.296 29.762 -0.001 0.000 1.459 108 H HN 0.512 nan 8.280 nan 0.000 0.566 109 P HA -0.095 nan 4.420 nan 0.000 0.234 109 P C 1.005 178.338 177.300 0.056 0.000 1.162 109 P CA 0.529 63.665 63.100 0.060 0.000 0.759 109 P CB 0.282 32.009 31.700 0.045 0.000 0.813 110 G N 0.118 108.964 108.800 0.077 0.000 2.829 110 G HA2 0.359 4.319 3.960 0.000 0.000 0.173 110 G HA3 0.359 4.319 3.960 0.000 0.000 0.173 110 G C -0.701 174.223 174.900 0.040 0.000 1.476 110 G CA -0.276 44.850 45.100 0.044 0.000 1.072 110 G HN -0.040 nan 8.290 nan 0.000 0.577 111 V N 1.343 121.271 119.914 0.024 0.000 2.266 111 V HA 0.246 4.366 4.120 0.000 0.000 0.271 111 V C 0.264 176.371 176.094 0.020 0.000 1.032 111 V CA -0.243 62.070 62.300 0.022 0.000 0.806 111 V CB 0.786 32.616 31.823 0.012 0.000 1.052 111 V HN 0.548 nan 8.190 nan 0.000 0.449 112 I N 1.544 122.138 120.570 0.041 0.000 3.752 112 I HA 0.256 4.426 4.170 0.000 0.000 0.313 112 I C 0.737 176.875 176.117 0.035 0.000 1.304 112 I CA 0.624 61.950 61.300 0.042 0.000 1.171 112 I CB -0.036 38.023 38.000 0.098 0.000 1.038 112 I HN 0.520 nan 8.210 nan 0.000 0.427 113 S N -0.287 115.430 115.700 0.029 0.000 2.563 113 S HA 0.534 5.004 4.470 0.000 0.000 0.279 113 S C 0.590 175.206 174.600 0.027 0.000 1.155 113 S CA -0.264 57.955 58.200 0.031 0.000 0.928 113 S CB 1.313 64.538 63.200 0.041 0.000 1.107 113 S HN 0.313 nan 8.310 nan 0.000 0.462 114 G N 2.837 111.653 108.800 0.026 0.000 2.547 114 G HA2 0.183 4.143 3.960 0.000 0.000 0.214 114 G HA3 0.183 4.143 3.960 0.000 0.000 0.214 114 G C 0.770 175.690 174.900 0.033 0.000 1.254 114 G CA 1.338 46.453 45.100 0.024 0.000 0.817 114 G HN 0.844 nan 8.290 nan 0.000 0.551 115 L N -0.979 120.270 121.223 0.043 0.000 1.309 115 L HA 0.025 4.365 4.340 0.000 0.000 0.059 115 L C 0.236 177.157 176.870 0.085 0.000 1.564 115 L CA 0.991 55.868 54.840 0.061 0.000 1.088 115 L CB -1.023 41.066 42.059 0.050 0.000 2.160 115 L HN 0.383 nan 8.230 nan 0.000 0.431 116 N N 0.766 119.502 118.700 0.059 0.000 2.383 116 N HA 0.027 4.767 4.740 0.000 0.000 0.192 116 N C -0.215 175.302 175.510 0.012 0.000 1.141 116 N CA 0.001 53.076 53.050 0.042 0.000 0.851 116 N CB -0.085 38.417 38.487 0.024 0.000 0.976 116 N HN 0.175 nan 8.380 nan 0.000 0.465 117 S N 2.746 118.461 115.700 0.025 0.000 2.414 117 S HA 0.253 4.723 4.470 0.000 0.000 0.290 117 S C -2.270 172.337 174.600 0.011 0.000 1.160 117 S CA -0.774 57.434 58.200 0.012 0.000 1.069 117 S CB 0.607 63.818 63.200 0.018 0.000 1.012 117 S HN 0.220 nan 8.310 nan 0.000 0.510 118 P HA 0.278 nan 4.420 nan 0.000 0.264 118 P C -0.470 176.836 177.300 0.009 0.000 1.193 118 P CA 0.159 63.245 63.100 -0.022 0.000 0.763 118 P CB 0.497 32.172 31.700 -0.041 0.000 0.810 119 A N 2.456 125.295 122.820 0.032 0.000 2.475 119 A HA 0.889 5.209 4.320 0.000 0.000 0.281 119 A C -0.671 176.942 177.584 0.048 0.000 1.263 119 A CA -0.240 51.821 52.037 0.040 0.000 0.776 119 A CB 1.108 20.138 19.000 0.050 0.000 1.347 119 A HN 0.732 nan 8.150 nan 0.000 0.443 120 c N -1.854 116.770 118.600 0.041 0.000 3.311 120 c HA 0.831 5.401 4.570 0.000 0.000 0.325 120 c C -0.900 173.206 174.090 0.027 0.000 1.352 120 c CA -0.757 55.597 56.329 0.042 0.000 1.308 120 c CB 0.285 42.812 42.510 0.028 0.000 1.619 120 c HN 0.922 nan 8.230 nan 0.000 0.469 121 M N 2.038 121.653 119.600 0.025 0.000 2.508 121 M HA 0.522 5.002 4.480 0.000 0.000 0.327 121 M C -0.623 175.677 176.300 -0.001 0.000 1.160 121 M CA -0.579 54.721 55.300 0.001 0.000 0.980 121 M CB 1.796 34.385 32.600 -0.018 0.000 1.693 121 M HN 0.663 nan 8.290 nan 0.000 0.452 122 L N 1.527 122.741 121.223 -0.014 0.000 2.455 122 L HA 0.120 4.460 4.340 0.000 0.000 0.272 122 L C 1.151 178.014 176.870 -0.011 0.000 1.174 122 L CA -0.137 54.695 54.840 -0.014 0.000 0.869 122 L CB 0.855 42.901 42.059 -0.020 0.000 1.130 122 L HN 0.863 nan 8.230 nan 0.000 0.474 123 S N 2.173 117.869 115.700 -0.007 0.000 2.355 123 S HA -0.173 4.297 4.470 0.000 0.000 0.222 123 S C 2.081 176.678 174.600 -0.004 0.000 1.031 123 S CA 1.117 59.318 58.200 0.002 0.000 0.993 123 S CB -0.164 63.030 63.200 -0.010 0.000 0.859 123 S HN 0.832 nan 8.310 nan 0.000 0.453 124 A N 2.839 125.650 122.820 -0.016 0.000 1.896 124 A HA -0.153 4.168 4.320 0.000 0.000 0.220 124 A C 0.483 178.054 177.584 -0.021 0.000 1.206 124 A CA 2.096 54.121 52.037 -0.021 0.000 0.647 124 A CB -1.833 17.154 19.000 -0.022 0.000 0.828 124 A HN 0.536 nan 8.150 nan 0.000 0.455 125 P HA -0.034 nan 4.420 nan 0.000 0.217 125 P C 1.755 179.031 177.300 -0.039 0.000 1.154 125 P CA 0.966 64.042 63.100 -0.040 0.000 0.841 125 P CB -0.178 31.487 31.700 -0.058 0.000 0.790 126 L N 0.901 122.106 121.223 -0.030 0.000 2.013 126 L HA -0.177 4.163 4.340 0.000 0.000 0.212 126 L C 2.579 179.489 176.870 0.068 0.000 1.073 126 L CA 2.186 57.018 54.840 -0.013 0.000 0.753 126 L CB -1.426 40.638 42.059 0.008 0.000 0.890 126 L HN -0.124 nan 8.230 nan 0.000 0.432 127 E N -0.116 120.139 120.200 0.092 0.000 2.047 127 E HA -0.276 4.074 4.350 0.000 0.000 0.191 127 E C 2.294 179.001 176.600 0.178 0.000 0.987 127 E CA 1.659 58.163 56.400 0.173 0.000 0.799 127 E CB -0.279 29.462 29.700 0.068 0.000 0.752 127 E HN 0.454 nan 8.360 nan 0.000 0.449 128 K N -0.159 120.274 120.400 0.055 0.000 2.281 128 K HA -0.216 4.104 4.320 0.000 0.000 0.203 128 K C 2.167 178.807 176.600 0.066 0.000 1.046 128 K CA 1.448 57.739 56.287 0.008 0.000 0.938 128 K CB -0.014 32.462 32.500 -0.038 0.000 0.737 128 K HN 0.177 nan 8.250 nan 0.000 0.458 129 Q N 0.077 119.912 119.800 0.058 0.000 2.123 129 Q HA -0.002 4.338 4.340 0.000 0.000 0.196 129 Q C 2.031 178.078 176.000 0.079 0.000 0.958 129 Q CA 0.624 56.444 55.803 0.028 0.000 0.841 129 Q CB 0.155 28.829 28.738 -0.107 0.000 0.915 129 Q HN 0.291 nan 8.270 nan 0.000 0.455 130 L N -0.428 120.878 121.223 0.137 0.000 1.976 130 L HA -0.125 4.215 4.340 0.000 0.000 0.209 130 L C 0.717 177.598 176.870 0.017 0.000 1.071 130 L CA 0.908 55.817 54.840 0.115 0.000 0.746 130 L CB -0.249 41.943 42.059 0.222 0.000 0.890 130 L HN 0.183 nan 8.230 nan 0.000 0.432 131 F N -0.609 119.403 119.950 0.103 0.000 2.733 131 F HA 0.029 4.556 4.527 0.000 0.000 0.344 131 F C 1.299 177.148 175.800 0.083 0.000 1.179 131 F CA -0.408 57.658 58.000 0.111 0.000 1.316 131 F CB -0.872 38.189 39.000 0.102 0.000 1.577 131 F HN 0.023 nan 8.300 nan 0.000 0.591 132 Y N 0.260 120.559 120.300 -0.001 0.000 2.263 132 Y HA -0.027 4.523 4.550 0.000 0.000 0.292 132 Y C 0.469 176.357 175.900 -0.021 0.000 1.130 132 Y CA 0.463 58.500 58.100 -0.106 0.000 1.179 132 Y CB -0.495 37.766 38.460 -0.332 0.000 0.998 132 Y HN 0.134 nan 8.280 nan 0.000 0.532 133 Y N 1.287 121.561 120.300 -0.043 0.000 2.397 133 Y HA 0.311 4.861 4.550 0.000 0.000 0.335 133 Y C 0.104 175.970 175.900 -0.058 0.000 1.213 133 Y CA -0.447 57.556 58.100 -0.162 0.000 1.391 133 Y CB 0.484 38.880 38.460 -0.107 0.000 1.293 133 Y HN -0.191 nan 8.280 nan 0.000 0.557 134 I N 1.087 121.674 120.570 0.029 0.000 2.648 134 I HA 0.731 4.901 4.170 0.000 0.000 0.304 134 I C 0.515 176.623 176.117 -0.014 0.000 1.009 134 I CA -0.331 60.916 61.300 -0.088 0.000 1.114 134 I CB 2.043 39.908 38.000 -0.225 0.000 1.293 134 I HN 0.815 nan 8.210 nan 0.000 0.449 135 G N 2.275 111.065 108.800 -0.015 0.000 2.791 135 G HA2 0.501 4.461 3.960 0.000 0.000 0.158 135 G HA3 0.501 4.461 3.960 0.000 0.000 0.158 135 G C -1.398 173.516 174.900 0.023 0.000 1.193 135 G CA -0.266 44.848 45.100 0.024 0.000 1.032 135 G HN 0.418 nan 8.290 nan 0.000 0.557 136 T N 1.751 116.330 114.554 0.041 0.000 3.089 136 T HA 0.277 4.627 4.350 0.000 0.000 0.340 136 T C 1.016 175.744 174.700 0.046 0.000 1.008 136 T CA -0.571 61.555 62.100 0.043 0.000 1.096 136 T CB 1.352 70.244 68.868 0.040 0.000 1.024 136 T HN 0.260 nan 8.240 nan 0.000 0.477 137 M N 1.701 121.327 119.600 0.044 0.000 2.213 137 M HA 0.107 4.587 4.480 0.000 0.000 0.263 137 M C 0.487 176.816 176.300 0.049 0.000 1.062 137 M CA 1.317 56.633 55.300 0.026 0.000 1.105 137 M CB -0.735 31.899 32.600 0.057 0.000 1.385 137 M HN 0.506 nan 8.290 nan 0.000 0.417 138 L N 1.388 122.657 121.223 0.076 0.000 2.324 138 L HA 0.339 4.679 4.340 0.000 0.000 0.274 138 L C -1.979 174.980 176.870 0.149 0.000 1.012 138 L CA -1.839 53.073 54.840 0.120 0.000 0.859 138 L CB 0.975 43.104 42.059 0.117 0.000 1.224 138 L HN -0.044 nan 8.230 nan 0.000 0.429 139 P HA 0.022 nan 4.420 nan 0.000 0.288 139 P C -0.365 176.972 177.300 0.062 0.000 1.291 139 P CA -0.248 62.904 63.100 0.085 0.000 0.766 139 P CB 1.039 32.759 31.700 0.034 0.000 1.242 140 N N -1.556 117.142 118.700 -0.002 0.000 2.273 140 N HA 0.052 4.792 4.740 0.000 0.000 0.231 140 N C -0.250 175.210 175.510 -0.084 0.000 1.134 140 N CA -0.118 52.917 53.050 -0.024 0.000 0.856 140 N CB -0.545 37.930 38.487 -0.019 0.000 1.068 140 N HN 0.397 nan 8.380 nan 0.000 0.510 141 T N -2.361 112.115 114.554 -0.130 0.000 2.918 141 T HA 0.173 4.523 4.350 0.000 0.000 0.302 141 T C 1.524 176.074 174.700 -0.249 0.000 1.045 141 T CA -0.379 61.599 62.100 -0.204 0.000 1.114 141 T CB 1.167 69.847 68.868 -0.313 0.000 0.965 141 T HN 0.122 nan 8.240 nan 0.000 0.540 142 R N 2.191 122.532 120.500 -0.265 0.000 2.136 142 R HA -0.102 4.238 4.340 0.000 0.000 0.242 142 R C -0.399 175.540 176.300 -0.602 0.000 1.131 142 R CA 2.114 57.944 56.100 -0.450 0.000 0.937 142 R CB -1.861 28.279 30.300 -0.267 0.000 0.863 142 R HN 0.671 nan 8.270 nan 0.000 0.435 143 P HA -0.206 nan 4.420 nan 0.000 0.213 143 P C 0.829 178.126 177.300 -0.004 0.000 1.170 143 P CA 1.789 64.849 63.100 -0.067 0.000 0.902 143 P CB -0.390 31.326 31.700 0.027 0.000 0.789 144 H N -0.409 118.601 119.070 -0.100 0.000 2.353 144 H HA -0.023 4.533 4.556 0.000 0.000 0.300 144 H C 2.327 177.612 175.328 -0.072 0.000 1.090 144 H CA 0.912 56.940 56.048 -0.033 0.000 1.327 144 H CB -0.369 29.445 29.762 0.087 0.000 1.383 144 H HN 0.141 nan 8.280 nan 0.000 0.508 145 S N 0.349 116.045 115.700 -0.008 0.000 2.462 145 S HA -0.160 4.310 4.470 0.000 0.000 0.243 145 S C 1.237 175.853 174.600 0.027 0.000 1.003 145 S CA 0.979 59.153 58.200 -0.043 0.000 0.970 145 S CB -0.218 62.899 63.200 -0.139 0.000 0.762 145 S HN 0.398 nan 8.310 nan 0.000 0.510 146 Y N -0.169 120.112 120.300 -0.031 0.000 2.448 146 Y HA 0.196 4.746 4.550 0.000 0.000 0.289 146 Y C 2.131 177.972 175.900 -0.097 0.000 1.114 146 Y CA -0.541 57.546 58.100 -0.022 0.000 1.235 146 Y CB -0.515 37.961 38.460 0.028 0.000 1.045 146 Y HN 0.086 nan 8.280 nan 0.000 0.554 147 V N -1.816 117.944 119.914 -0.257 0.000 2.599 147 V HA 0.025 4.145 4.120 0.000 0.000 0.237 147 V C 0.372 176.088 176.094 -0.630 0.000 1.081 147 V CA 0.407 62.211 62.300 -0.827 0.000 1.107 147 V CB -0.338 30.623 31.823 -1.437 0.000 0.808 147 V HN -0.148 nan 8.190 nan 0.000 0.486 148 F N -1.294 118.534 119.950 -0.203 0.000 2.368 148 F HA 0.490 5.017 4.527 0.000 0.000 0.315 148 F C -0.207 175.531 175.800 -0.104 0.000 1.145 148 F CA -1.191 56.731 58.000 -0.130 0.000 1.095 148 F CB 0.078 39.031 39.000 -0.079 0.000 1.286 148 F HN -0.034 nan 8.300 nan 0.000 0.530 149 Y N 1.285 121.721 120.300 0.228 0.000 2.341 149 Y HA 0.182 4.732 4.550 0.000 0.000 0.340 149 Y C 0.228 176.200 175.900 0.120 0.000 0.997 149 Y CA -0.739 57.440 58.100 0.133 0.000 1.149 149 Y CB 0.492 39.010 38.460 0.097 0.000 1.171 149 Y HN 0.355 nan 8.280 nan 0.000 0.494 150 Q N 3.448 123.402 119.800 0.257 0.000 2.859 150 Q HA -0.107 4.233 4.340 0.000 0.000 0.364 150 Q C -0.824 175.270 176.000 0.157 0.000 1.067 150 Q CA 0.680 56.587 55.803 0.174 0.000 1.162 150 Q CB 0.350 29.169 28.738 0.135 0.000 1.023 150 Q HN 0.553 nan 8.270 nan 0.000 0.415 151 L N 3.238 124.537 121.223 0.127 0.000 2.354 151 L HA 0.580 4.920 4.340 0.000 0.000 0.269 151 L C -0.805 176.112 176.870 0.078 0.000 1.005 151 L CA -0.402 54.503 54.840 0.108 0.000 0.819 151 L CB 1.895 44.030 42.059 0.127 0.000 1.311 151 L HN 0.617 nan 8.230 nan 0.000 0.423 152 R N 4.449 124.984 120.500 0.058 0.000 2.518 152 R HA 0.699 5.039 4.340 0.000 0.000 0.296 152 R C -1.936 174.365 176.300 0.001 0.000 1.080 152 R CA -0.343 55.772 56.100 0.024 0.000 0.922 152 R CB 0.844 31.150 30.300 0.009 0.000 1.184 152 R HN 0.935 nan 8.270 nan 0.000 0.445 153 C N 0.378 119.672 119.300 -0.010 0.000 3.318 153 C HA 0.540 5.000 4.460 0.000 0.000 0.322 153 C C -0.241 174.726 174.990 -0.038 0.000 1.398 153 C CA -1.243 57.758 59.018 -0.027 0.000 1.339 153 C CB 1.384 29.158 27.740 0.057 0.000 1.668 153 C HN 0.761 nan 8.230 nan 0.000 0.462 154 H N 1.189 120.299 119.070 0.066 0.000 2.928 154 H HA 0.439 4.995 4.556 0.000 0.000 0.338 154 H C -0.088 175.383 175.328 0.238 0.000 1.047 154 H CA 1.011 57.135 56.048 0.126 0.000 1.435 154 H CB 0.597 30.440 29.762 0.135 0.000 1.428 154 H HN 0.613 nan 8.280 nan 0.000 0.590 155 L N 0.098 121.543 121.223 0.370 0.000 2.598 155 L HA 0.694 5.034 4.340 0.000 0.000 0.246 155 L C -0.505 176.438 176.870 0.120 0.000 1.124 155 L CA -1.069 53.985 54.840 0.358 0.000 1.019 155 L CB 0.731 42.877 42.059 0.146 0.000 1.583 155 L HN 0.608 nan 8.230 nan 0.000 0.386 156 S N -1.269 114.409 115.700 -0.038 0.000 2.556 156 S HA 0.765 5.235 4.470 0.000 0.000 0.280 156 S C -1.551 172.936 174.600 -0.189 0.000 1.141 156 S CA -0.641 57.411 58.200 -0.246 0.000 0.883 156 S CB 0.848 63.849 63.200 -0.332 0.000 1.103 156 S HN 1.480 nan 8.310 nan 0.000 0.453 157 Y N -0.618 119.594 120.300 -0.147 0.000 2.665 157 Y HA 0.906 5.456 4.550 0.000 0.000 0.336 157 Y C -1.208 174.544 175.900 -0.247 0.000 1.085 157 Y CA -2.019 55.966 58.100 -0.190 0.000 1.096 157 Y CB 0.658 39.006 38.460 -0.188 0.000 1.301 157 Y HN 0.570 nan 8.280 nan 0.000 0.493 158 V N 1.525 121.468 119.914 0.048 0.000 2.357 158 V HA 0.758 4.878 4.120 0.000 0.000 0.281 158 V C 0.117 176.140 176.094 -0.118 0.000 1.015 158 V CA -0.889 61.363 62.300 -0.081 0.000 0.827 158 V CB 0.221 31.947 31.823 -0.162 0.000 1.018 158 V HN 1.108 nan 8.190 nan 0.000 0.432 159 A N 4.907 127.686 122.820 -0.068 0.000 2.388 159 A HA 0.819 5.139 4.320 0.000 0.000 0.257 159 A C -0.759 176.793 177.584 -0.054 0.000 1.095 159 A CA -0.109 51.838 52.037 -0.150 0.000 0.791 159 A CB 0.900 19.807 19.000 -0.155 0.000 1.029 159 A HN 0.826 nan 8.150 nan 0.000 0.489 160 L N 1.281 122.473 121.223 -0.051 0.000 2.472 160 L HA 0.713 5.054 4.340 0.000 0.000 0.260 160 L C -0.458 176.416 176.870 0.008 0.000 0.963 160 L CA 0.208 55.070 54.840 0.038 0.000 0.829 160 L CB 2.289 44.437 42.059 0.148 0.000 1.348 160 L HN 0.671 nan 8.230 nan 0.000 0.408 161 S N 4.799 120.520 115.700 0.034 0.000 2.750 161 S HA 0.821 5.291 4.470 0.000 0.000 0.276 161 S C -1.253 173.383 174.600 0.059 0.000 1.165 161 S CA -0.558 57.660 58.200 0.030 0.000 1.047 161 S CB 0.375 63.576 63.200 0.003 0.000 1.056 161 S HN 0.425 nan 8.310 nan 0.000 0.481 162 I N 3.153 123.786 120.570 0.104 0.000 3.067 162 I HA 0.548 4.718 4.170 0.000 0.000 0.312 162 I C 0.713 176.869 176.117 0.065 0.000 1.073 162 I CA -0.876 60.466 61.300 0.070 0.000 1.016 162 I CB 1.159 39.174 38.000 0.024 0.000 1.227 162 I HN 0.768 nan 8.210 nan 0.000 0.456 163 N N 2.054 120.761 118.700 0.012 0.000 2.693 163 N HA -0.185 4.555 4.740 0.000 0.000 0.249 163 N C 0.604 176.119 175.510 0.008 0.000 1.119 163 N CA 1.407 54.454 53.050 -0.005 0.000 0.717 163 N CB -1.158 37.314 38.487 -0.024 0.000 1.071 163 N HN 1.146 nan 8.380 nan 0.000 0.555 164 G N 0.367 109.176 108.800 0.014 0.000 2.392 164 G HA2 -0.239 3.721 3.960 0.000 0.000 0.290 164 G HA3 -0.239 3.721 3.960 0.000 0.000 0.290 164 G C 0.138 175.042 174.900 0.006 0.000 1.032 164 G CA 0.205 45.310 45.100 0.007 0.000 1.269 164 G HN 0.529 nan 8.290 nan 0.000 0.511 165 D N -1.454 118.952 120.400 0.010 0.000 3.070 165 D HA -0.183 4.457 4.640 0.000 0.000 0.220 165 D C 1.625 177.927 176.300 0.003 0.000 1.176 165 D CA 1.801 55.798 54.000 -0.005 0.000 0.924 165 D CB -0.368 40.420 40.800 -0.020 0.000 1.124 165 D HN 0.747 nan 8.370 nan 0.000 0.411 166 K N -0.845 119.574 120.400 0.031 0.000 2.400 166 K HA 0.086 4.406 4.320 0.000 0.000 0.194 166 K C 0.548 177.218 176.600 0.117 0.000 1.033 166 K CA 0.308 56.620 56.287 0.042 0.000 1.021 166 K CB 0.569 33.083 32.500 0.024 0.000 0.808 166 K HN 0.171 nan 8.250 nan 0.000 0.505 167 F N 1.572 121.494 119.950 -0.048 0.000 2.615 167 F HA 0.170 4.697 4.527 0.000 0.000 0.312 167 F C -1.951 173.846 175.800 -0.005 0.000 1.119 167 F CA -0.686 57.295 58.000 -0.030 0.000 0.979 167 F CB 1.547 40.501 39.000 -0.077 0.000 1.266 167 F HN -0.120 nan 8.300 nan 0.000 0.444 168 Q N 4.931 124.322 119.800 -0.681 0.000 2.391 168 Q HA 0.434 4.774 4.340 0.000 0.000 0.279 168 Q C -2.328 173.451 176.000 -0.369 0.000 1.028 168 Q CA -1.061 54.518 55.803 -0.375 0.000 0.836 168 Q CB 3.081 31.700 28.738 -0.198 0.000 1.414 168 Q HN 0.705 nan 8.270 nan 0.000 0.397 169 Y N 0.449 120.597 120.300 -0.254 0.000 2.499 169 Y HA 0.673 5.223 4.550 0.000 0.000 0.347 169 Y C -1.483 174.337 175.900 -0.134 0.000 0.987 169 Y CA -0.570 57.445 58.100 -0.142 0.000 1.044 169 Y CB 2.776 41.269 38.460 0.055 0.000 1.245 169 Y HN 0.753 nan 8.280 nan 0.000 0.461 170 T N 3.903 117.912 114.554 -0.908 0.000 2.890 170 T HA 0.394 4.744 4.350 0.000 0.000 0.295 170 T C -0.124 174.023 174.700 -0.921 0.000 0.993 170 T CA -0.427 61.213 62.100 -0.766 0.000 0.979 170 T CB 1.063 69.669 68.868 -0.436 0.000 0.967 170 T HN 0.946 nan 8.240 nan 0.000 0.441 171 G N 2.238 110.619 108.800 -0.698 0.000 3.506 171 G HA2 0.503 4.463 3.960 0.000 0.000 0.268 171 G HA3 0.503 4.463 3.960 0.000 0.000 0.268 171 G C 0.419 175.242 174.900 -0.128 0.000 0.959 171 G CA -0.575 44.311 45.100 -0.357 0.000 1.823 171 G HN 0.979 nan 8.290 nan 0.000 0.615 172 A N 2.852 125.600 122.820 -0.120 0.000 2.454 172 A HA 0.668 4.988 4.320 0.000 0.000 0.260 172 A C 0.354 177.881 177.584 -0.095 0.000 1.106 172 A CA -0.087 51.922 52.037 -0.048 0.000 0.780 172 A CB -0.026 18.941 19.000 -0.055 0.000 1.044 172 A HN 0.968 nan 8.150 nan 0.000 0.498 173 M N 1.798 121.358 119.600 -0.066 0.000 2.470 173 M HA 0.706 5.186 4.480 0.000 0.000 0.285 173 M C -0.684 175.659 176.300 0.073 0.000 1.213 173 M CA -0.441 54.802 55.300 -0.095 0.000 0.901 173 M CB 1.953 34.594 32.600 0.069 0.000 1.718 173 M HN 0.494 nan 8.290 nan 0.000 0.469 174 T N -0.508 114.030 114.554 -0.026 0.000 2.883 174 T HA 0.483 4.833 4.350 0.000 0.000 0.284 174 T C 0.951 175.759 174.700 0.180 0.000 1.041 174 T CA 0.104 62.283 62.100 0.133 0.000 1.007 174 T CB 1.501 70.250 68.868 -0.199 0.000 1.220 174 T HN 0.940 nan 8.240 nan 0.000 0.552 175 S N 0.257 115.741 115.700 -0.359 0.000 2.547 175 S HA 0.066 4.536 4.470 0.000 0.000 0.235 175 S C 1.289 175.986 174.600 0.162 0.000 0.980 175 S CA 0.720 58.700 58.200 -0.365 0.000 0.941 175 S CB -0.276 62.535 63.200 -0.648 0.000 0.763 175 S HN 0.680 nan 8.310 nan 0.000 0.532 176 K N -0.267 120.302 120.400 0.281 0.000 2.424 176 K HA 0.323 4.643 4.320 0.000 0.000 0.198 176 K C -0.155 176.803 176.600 0.597 0.000 1.190 176 K CA 0.207 56.775 56.287 0.468 0.000 0.935 176 K CB 0.749 33.453 32.500 0.341 0.000 1.087 176 K HN 0.590 nan 8.250 nan 0.000 0.524 177 F N -0.418 119.647 119.950 0.192 0.000 2.668 177 F HA 0.557 5.084 4.527 0.000 0.000 0.309 177 F C -1.556 173.921 175.800 -0.539 0.000 1.117 177 F CA -1.693 56.178 58.000 -0.215 0.000 0.951 177 F CB 0.930 39.842 39.000 -0.147 0.000 1.323 177 F HN -0.298 nan 8.300 nan 0.000 0.451 178 L N 4.037 124.786 121.223 -0.790 0.000 2.334 178 L HA 0.751 5.091 4.340 0.000 0.000 0.273 178 L C -1.142 175.721 176.870 -0.011 0.000 1.013 178 L CA -0.712 53.803 54.840 -0.541 0.000 0.816 178 L CB 1.881 43.568 42.059 -0.620 0.000 1.278 178 L HN 0.915 nan 8.230 nan 0.000 0.431 179 M N 4.520 124.129 119.600 0.014 0.000 2.167 179 M HA 0.383 4.863 4.480 0.000 0.000 0.218 179 M C -0.689 175.645 176.300 0.057 0.000 0.968 179 M CA -0.232 55.129 55.300 0.102 0.000 1.004 179 M CB 0.651 33.309 32.600 0.096 0.000 2.485 179 M HN 0.835 nan 8.290 nan 0.000 0.404 180 G N 2.175 111.071 108.800 0.159 0.000 2.444 180 G HA2 0.588 4.548 3.960 0.000 0.000 0.268 180 G HA3 0.588 4.548 3.960 0.000 0.000 0.268 180 G C -0.266 174.601 174.900 -0.055 0.000 1.203 180 G CA -0.095 45.056 45.100 0.087 0.000 0.835 180 G HN 0.629 nan 8.290 nan 0.000 0.543 181 T N -1.148 113.322 114.554 -0.141 0.000 2.861 181 T HA 0.586 4.936 4.350 0.000 0.000 0.287 181 T C -1.126 173.486 174.700 -0.148 0.000 1.003 181 T CA -0.764 61.250 62.100 -0.143 0.000 0.977 181 T CB 1.402 70.263 68.868 -0.013 0.000 0.996 181 T HN 0.324 nan 8.240 nan 0.000 0.448 182 Y N 1.287 121.568 120.300 -0.032 0.000 2.387 182 Y HA 0.703 5.253 4.550 0.000 0.000 0.330 182 Y C 0.552 176.433 175.900 -0.033 0.000 1.133 182 Y CA -1.277 56.758 58.100 -0.107 0.000 1.152 182 Y CB 1.753 40.039 38.460 -0.290 0.000 1.215 182 Y HN 0.753 nan 8.280 nan 0.000 0.466 183 K N 3.576 123.978 120.400 0.003 0.000 2.652 183 K HA 0.413 4.733 4.320 0.000 0.000 0.249 183 K C -1.228 175.311 176.600 -0.102 0.000 0.986 183 K CA -0.663 55.616 56.287 -0.013 0.000 0.867 183 K CB 1.345 33.771 32.500 -0.123 0.000 1.201 183 K HN 0.779 nan 8.250 nan 0.000 0.450 184 R N 2.818 123.376 120.500 0.096 0.000 2.873 184 R HA 0.674 5.014 4.340 0.000 0.000 0.264 184 R C -1.439 174.896 176.300 0.058 0.000 1.026 184 R CA -0.700 55.482 56.100 0.138 0.000 1.002 184 R CB 1.939 32.330 30.300 0.151 0.000 1.174 184 R HN 0.335 nan 8.270 nan 0.000 0.488 185 V N 1.934 121.879 119.914 0.051 0.000 2.612 185 V HA 0.234 4.354 4.120 0.000 0.000 0.301 185 V C -0.032 176.072 176.094 0.017 0.000 1.059 185 V CA -0.834 61.474 62.300 0.012 0.000 0.886 185 V CB 1.873 33.690 31.823 -0.010 0.000 1.007 185 V HN 0.911 nan 8.190 nan 0.000 0.426 186 T N 2.472 117.041 114.554 0.026 0.000 2.698 186 T HA 0.109 4.459 4.350 0.000 0.000 0.295 186 T C 1.322 176.022 174.700 0.001 0.000 1.007 186 T CA -0.490 61.625 62.100 0.026 0.000 0.980 186 T CB 0.626 69.527 68.868 0.055 0.000 1.036 186 T HN 0.734 nan 8.240 nan 0.000 0.526 187 E N 0.289 120.488 120.200 -0.002 0.000 2.171 187 E HA -0.088 4.262 4.350 0.000 0.000 0.197 187 E C 0.863 177.457 176.600 -0.009 0.000 0.997 187 E CA 1.212 57.607 56.400 -0.008 0.000 0.810 187 E CB -0.106 29.590 29.700 -0.008 0.000 0.738 187 E HN 0.485 nan 8.360 nan 0.000 0.467 188 K N -0.408 119.987 120.400 -0.007 0.000 2.179 188 K HA 0.318 4.638 4.320 0.000 0.000 0.238 188 K C 1.165 177.752 176.600 -0.023 0.000 1.033 188 K CA 0.238 56.518 56.287 -0.012 0.000 0.926 188 K CB 0.776 33.272 32.500 -0.008 0.000 1.151 188 K HN 0.015 nan 8.250 nan 0.000 0.492 189 G N 1.024 109.808 108.800 -0.027 0.000 3.028 189 G HA2 -0.088 3.872 3.960 0.000 0.000 0.205 189 G HA3 -0.088 3.872 3.960 0.000 0.000 0.205 189 G C -0.356 174.510 174.900 -0.057 0.000 1.182 189 G CA 0.081 45.159 45.100 -0.037 0.000 0.860 189 G HN 0.534 nan 8.290 nan 0.000 0.507 190 D N 0.636 120.995 120.400 -0.069 0.000 2.450 190 D HA 0.152 4.792 4.640 0.000 0.000 0.247 190 D C 0.134 176.319 176.300 -0.192 0.000 1.162 190 D CA 0.527 54.441 54.000 -0.143 0.000 0.879 190 D CB 1.006 41.727 40.800 -0.131 0.000 1.163 190 D HN 0.361 nan 8.370 nan 0.000 0.472 191 E N 2.553 122.613 120.200 -0.234 0.000 2.141 191 E HA 0.133 4.483 4.350 0.000 0.000 0.259 191 E C -0.859 175.600 176.600 -0.236 0.000 0.883 191 E CA -0.726 55.565 56.400 -0.182 0.000 0.744 191 E CB 0.472 30.107 29.700 -0.109 0.000 1.150 191 E HN 0.400 nan 8.360 nan 0.000 0.420 192 H N 2.621 121.672 119.070 -0.032 0.000 2.467 192 H HA 0.383 4.939 4.556 0.000 0.000 0.326 192 H C -0.282 174.974 175.328 -0.119 0.000 1.094 192 H CA -0.536 55.432 56.048 -0.134 0.000 1.253 192 H CB 1.517 31.258 29.762 -0.034 0.000 1.439 192 H HN 0.337 nan 8.280 nan 0.000 0.479 193 V N 2.046 121.772 119.914 -0.312 0.000 2.841 193 V HA 0.656 4.776 4.120 0.000 0.000 0.310 193 V C -1.028 175.088 176.094 0.035 0.000 1.090 193 V CA -0.994 61.300 62.300 -0.009 0.000 0.930 193 V CB 2.210 33.919 31.823 -0.190 0.000 1.014 193 V HN 0.465 nan 8.190 nan 0.000 0.425 194 L N 3.329 124.520 121.223 -0.053 0.000 2.526 194 L HA 0.954 5.294 4.340 0.000 0.000 0.263 194 L C -0.432 176.367 176.870 -0.119 0.000 0.943 194 L CA 0.134 54.891 54.840 -0.139 0.000 0.859 194 L CB 2.165 43.933 42.059 -0.484 0.000 1.313 194 L HN 1.208 nan 8.230 nan 0.000 0.406 195 S N 4.213 119.902 115.700 -0.017 0.000 2.599 195 S HA 0.889 5.359 4.470 0.000 0.000 0.294 195 S C -0.923 173.631 174.600 -0.078 0.000 1.094 195 S CA -0.907 57.255 58.200 -0.062 0.000 0.931 195 S CB 1.756 65.000 63.200 0.073 0.000 1.093 195 S HN 0.722 nan 8.310 nan 0.000 0.488 196 L N 1.552 122.670 121.223 -0.174 0.000 2.346 196 L HA 0.698 5.038 4.340 0.000 0.000 0.276 196 L C -1.249 175.615 176.870 -0.009 0.000 1.006 196 L CA -1.092 53.629 54.840 -0.197 0.000 0.817 196 L CB 2.089 43.739 42.059 -0.682 0.000 1.272 196 L HN 0.554 nan 8.230 nan 0.000 0.421 197 V N 2.530 122.513 119.914 0.114 0.000 2.407 197 V HA 0.429 4.549 4.120 0.000 0.000 0.291 197 V C -0.757 175.537 176.094 0.334 0.000 1.018 197 V CA -0.559 61.865 62.300 0.207 0.000 0.842 197 V CB 1.629 33.529 31.823 0.128 0.000 0.996 197 V HN 0.464 nan 8.190 nan 0.000 0.426 198 F N 3.193 123.285 119.950 0.237 0.000 2.522 198 F HA 0.982 5.509 4.527 0.000 0.000 0.324 198 F C 0.372 176.278 175.800 0.177 0.000 1.077 198 F CA 0.318 58.483 58.000 0.274 0.000 0.944 198 F CB 2.094 41.315 39.000 0.369 0.000 1.175 198 F HN 0.864 nan 8.300 nan 0.000 0.468 199 G N 3.620 111.999 108.800 -0.702 0.000 2.361 199 G HA2 0.122 4.082 3.960 0.000 0.000 0.305 199 G HA3 0.122 4.082 3.960 0.000 0.000 0.305 199 G C -1.882 172.926 174.900 -0.153 0.000 1.367 199 G CA -1.330 43.567 45.100 -0.337 0.000 0.951 199 G HN 0.656 nan 8.290 nan 0.000 0.615 200 K N 0.879 121.175 120.400 -0.174 0.000 2.447 200 K HA 0.223 4.543 4.320 0.000 0.000 0.281 200 K C 1.623 178.080 176.600 -0.239 0.000 1.031 200 K CA 0.555 56.600 56.287 -0.404 0.000 1.019 200 K CB 0.623 32.921 32.500 -0.336 0.000 0.918 200 K HN 0.522 nan 8.250 nan 0.000 0.476 201 T N 2.810 117.228 114.554 -0.226 0.000 2.751 201 T HA -0.258 4.092 4.350 0.000 0.000 0.268 201 T C 1.623 176.204 174.700 -0.199 0.000 1.045 201 T CA 2.055 64.034 62.100 -0.203 0.000 1.142 201 T CB -0.171 68.616 68.868 -0.135 0.000 0.851 201 T HN 0.652 nan 8.240 nan 0.000 0.474 202 K N 1.151 121.459 120.400 -0.155 0.000 2.365 202 K HA -0.013 4.307 4.320 0.000 0.000 0.199 202 K C 1.253 177.797 176.600 -0.093 0.000 1.045 202 K CA 1.338 57.562 56.287 -0.105 0.000 0.962 202 K CB 0.148 32.599 32.500 -0.081 0.000 0.759 202 K HN 0.170 nan 8.250 nan 0.000 0.469 203 D N 0.438 120.773 120.400 -0.109 0.000 2.349 203 D HA 0.069 4.709 4.640 0.000 0.000 0.214 203 D C -0.201 175.964 176.300 -0.225 0.000 1.063 203 D CA -0.100 53.856 54.000 -0.074 0.000 0.847 203 D CB 0.162 40.994 40.800 0.053 0.000 0.933 203 D HN 0.081 nan 8.370 nan 0.000 0.513 204 L N 2.094 123.115 121.223 -0.336 0.000 2.514 204 L HA 0.089 4.429 4.340 0.000 0.000 0.280 204 L C -1.672 174.996 176.870 -0.337 0.000 1.223 204 L CA -0.670 53.855 54.840 -0.524 0.000 0.864 204 L CB -0.558 41.007 42.059 -0.824 0.000 1.118 204 L HN -0.181 nan 8.230 nan 0.000 0.494 205 P HA -0.031 nan 4.420 nan 0.000 0.272 205 P C -1.109 176.283 177.300 0.154 0.000 1.243 205 P CA -0.077 62.877 63.100 -0.243 0.000 0.803 205 P CB 0.349 31.737 31.700 -0.521 0.000 0.974 206 D N 0.577 121.091 120.400 0.190 0.000 2.277 206 D HA 0.191 4.831 4.640 0.000 0.000 0.249 206 D C 0.115 176.631 176.300 0.360 0.000 1.134 206 D CA -0.076 54.087 54.000 0.271 0.000 0.863 206 D CB 0.518 41.453 40.800 0.226 0.000 1.143 206 D HN 0.185 nan 8.370 nan 0.000 0.458 207 L N 2.205 123.547 121.223 0.198 0.000 2.371 207 L HA 0.281 4.621 4.340 0.000 0.000 0.272 207 L C 1.866 178.806 176.870 0.116 0.000 1.124 207 L CA -0.419 54.443 54.840 0.036 0.000 0.816 207 L CB 1.264 43.233 42.059 -0.151 0.000 1.129 207 L HN 0.314 nan 8.230 nan 0.000 0.448 208 R N 2.002 122.437 120.500 -0.107 0.000 1.967 208 R HA 0.142 4.482 4.340 0.000 0.000 0.184 208 R C 1.070 177.330 176.300 -0.066 0.000 1.350 208 R CA 0.598 56.469 56.100 -0.381 0.000 1.232 208 R CB -0.521 29.383 30.300 -0.660 0.000 0.813 208 R HN 0.799 nan 8.270 nan 0.000 0.512 209 G N 0.500 109.290 108.800 -0.017 0.000 2.443 209 G HA2 0.014 3.974 3.960 0.000 0.000 0.286 209 G HA3 0.014 3.974 3.960 0.000 0.000 0.286 209 G C -2.043 172.709 174.900 -0.248 0.000 1.393 209 G CA -0.762 44.255 45.100 -0.139 0.000 1.080 209 G HN 0.356 nan 8.290 nan 0.000 0.566 210 P HA 0.199 nan 4.420 nan 0.000 0.238 210 P C -1.094 175.813 177.300 -0.655 0.000 1.679 210 P CA 0.423 63.205 63.100 -0.530 0.000 1.080 210 P CB -0.476 30.845 31.700 -0.631 0.000 1.961 211 F N 0.523 120.408 119.950 -0.108 0.000 2.520 211 F HA 0.451 4.978 4.527 0.000 0.000 0.322 211 F C 0.445 176.172 175.800 -0.121 0.000 1.103 211 F CA -0.681 57.272 58.000 -0.077 0.000 0.926 211 F CB 1.750 40.644 39.000 -0.176 0.000 1.154 211 F HN -0.109 nan 8.300 nan 0.000 0.453 212 S N 1.901 117.682 115.700 0.135 0.000 2.605 212 S HA 0.343 4.813 4.470 0.000 0.000 0.308 212 S C 0.290 174.926 174.600 0.060 0.000 1.113 212 S CA -0.720 57.515 58.200 0.058 0.000 1.049 212 S CB 0.542 63.780 63.200 0.063 0.000 1.001 212 S HN 0.646 nan 8.310 nan 0.000 0.480 213 Y N 2.737 123.078 120.300 0.067 0.000 2.173 213 Y HA -0.166 4.384 4.550 0.000 0.000 0.282 213 Y C -0.222 175.690 175.900 0.020 0.000 1.192 213 Y CA 2.290 60.413 58.100 0.038 0.000 1.176 213 Y CB -1.259 37.221 38.460 0.033 0.000 0.969 213 Y HN 0.568 nan 8.280 nan 0.000 0.519 214 P HA -0.192 nan 4.420 nan 0.000 0.215 214 P C 1.244 178.579 177.300 0.057 0.000 1.157 214 P CA 2.354 65.512 63.100 0.096 0.000 0.874 214 P CB -0.264 31.479 31.700 0.072 0.000 0.790 215 S N -1.658 114.076 115.700 0.056 0.000 2.786 215 S HA 0.128 4.598 4.470 0.000 0.000 0.223 215 S C 1.470 176.048 174.600 -0.037 0.000 0.956 215 S CA 0.173 58.379 58.200 0.010 0.000 0.961 215 S CB -1.029 62.203 63.200 0.054 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.387 120.841 121.223 0.009 0.000 3.284 216 L HA 0.221 4.561 4.340 0.000 0.000 0.294 216 L C -0.061 176.843 176.870 0.057 0.000 1.183 216 L CA 0.010 54.850 54.840 0.000 0.000 1.056 216 L CB 0.507 42.569 42.059 0.005 0.000 1.513 216 L HN 0.138 nan 8.230 nan 0.000 0.601 217 T N -0.843 113.751 114.554 0.068 0.000 2.869 217 T HA 0.121 4.471 4.350 0.000 0.000 0.295 217 T C 0.944 175.633 174.700 -0.018 0.000 0.987 217 T CA 0.212 62.332 62.100 0.035 0.000 1.109 217 T CB 2.373 71.254 68.868 0.022 0.000 0.932 217 T HN -0.065 nan 8.240 nan 0.000 0.518 218 S N 1.311 116.983 115.700 -0.046 0.000 2.468 218 S HA 0.494 4.964 4.470 0.000 0.000 0.226 218 S C 0.560 175.074 174.600 -0.144 0.000 1.051 218 S CA 0.064 58.229 58.200 -0.058 0.000 0.943 218 S CB 0.188 63.379 63.200 -0.015 0.000 0.810 218 S HN 0.892 nan 8.310 nan 0.000 0.509 219 A N 0.874 123.500 122.820 -0.324 0.000 2.422 219 A HA 0.765 5.085 4.320 0.000 0.000 0.302 219 A C -0.943 176.251 177.584 -0.650 0.000 1.041 219 A CA -0.478 51.223 52.037 -0.560 0.000 0.708 219 A CB 1.515 19.930 19.000 -0.975 0.000 1.257 219 A HN 0.357 nan 8.150 nan 0.000 0.414 220 Q N 1.436 121.081 119.800 -0.259 0.000 2.331 220 Q HA 0.656 4.996 4.340 0.000 0.000 0.272 220 Q C -0.778 175.357 176.000 0.225 0.000 1.062 220 Q CA -0.397 55.406 55.803 0.001 0.000 0.806 220 Q CB 2.046 30.787 28.738 0.006 0.000 1.312 220 Q HN 0.790 nan 8.270 nan 0.000 0.431 221 S N 0.772 116.701 115.700 0.383 0.000 2.667 221 S HA 0.463 4.933 4.470 0.000 0.000 0.292 221 S C 0.915 175.628 174.600 0.189 0.000 1.108 221 S CA -0.112 58.288 58.200 0.334 0.000 0.992 221 S CB 0.735 64.191 63.200 0.426 0.000 1.269 221 S HN 0.843 nan 8.310 nan 0.000 0.528 222 G N 0.172 109.060 108.800 0.147 0.000 2.471 222 G HA2 -0.027 3.933 3.960 0.000 0.000 0.219 222 G HA3 -0.027 3.933 3.960 0.000 0.000 0.219 222 G C -0.090 174.826 174.900 0.028 0.000 1.125 222 G CA 0.986 46.132 45.100 0.075 0.000 0.775 222 G HN 0.752 nan 8.290 nan 0.000 0.548 223 D N -2.955 117.453 120.400 0.014 0.000 2.682 223 D HA 0.151 4.791 4.640 0.000 0.000 0.291 223 D C -0.688 175.442 176.300 -0.284 0.000 1.585 223 D CA -0.626 53.289 54.000 -0.142 0.000 0.845 223 D CB -0.339 40.327 40.800 -0.224 0.000 1.323 223 D HN 0.222 nan 8.370 nan 0.000 0.438 224 Y N 0.591 120.944 120.300 0.087 0.000 2.462 224 Y HA 0.728 5.278 4.550 0.000 0.000 0.346 224 Y C -0.032 176.040 175.900 0.286 0.000 0.976 224 Y CA -0.817 57.356 58.100 0.123 0.000 1.044 224 Y CB 2.560 41.103 38.460 0.138 0.000 1.230 224 Y HN -0.199 nan 8.280 nan 0.000 0.455 225 S N 2.262 118.182 115.700 0.366 0.000 2.627 225 S HA 0.680 5.150 4.470 0.000 0.000 0.283 225 S C -2.045 172.705 174.600 0.251 0.000 1.127 225 S CA -0.684 57.616 58.200 0.167 0.000 0.863 225 S CB 2.170 65.350 63.200 -0.033 0.000 1.121 225 S HN 0.439 nan 8.310 nan 0.000 0.479 226 L N 2.592 123.829 121.223 0.023 0.000 2.427 226 L HA 0.589 4.929 4.340 0.000 0.000 0.264 226 L C -1.363 175.545 176.870 0.062 0.000 0.989 226 L CA -0.332 54.598 54.840 0.149 0.000 0.865 226 L CB 1.019 43.104 42.059 0.044 0.000 1.209 226 L HN 0.480 nan 8.230 nan 0.000 0.430 227 V N 5.492 125.475 119.914 0.114 0.000 2.567 227 V HA 0.462 4.582 4.120 0.000 0.000 0.289 227 V C 0.289 176.447 176.094 0.107 0.000 1.049 227 V CA -0.416 61.961 62.300 0.127 0.000 0.969 227 V CB 1.717 33.677 31.823 0.229 0.000 0.995 227 V HN 0.531 nan 8.190 nan 0.000 0.471 228 I N 4.149 124.778 120.570 0.099 0.000 2.428 228 I HA 0.319 4.489 4.170 0.000 0.000 0.279 228 I C -0.633 175.530 176.117 0.077 0.000 1.040 228 I CA -0.487 60.868 61.300 0.092 0.000 1.171 228 I CB 1.455 39.544 38.000 0.149 0.000 1.312 228 I HN 0.284 nan 8.210 nan 0.000 0.470 229 V N 5.123 125.074 119.914 0.062 0.000 2.348 229 V HA 0.594 4.714 4.120 0.000 0.000 0.270 229 V C 0.175 176.307 176.094 0.063 0.000 1.037 229 V CA -0.025 62.284 62.300 0.014 0.000 0.872 229 V CB 1.017 32.862 31.823 0.036 0.000 1.002 229 V HN 0.835 nan 8.190 nan 0.000 0.464 230 T N 2.726 117.307 114.554 0.045 0.000 2.770 230 T HA 0.428 4.778 4.350 0.000 0.000 0.323 230 T C -0.433 174.318 174.700 0.086 0.000 1.683 230 T CA 0.124 62.297 62.100 0.122 0.000 1.024 230 T CB 1.896 70.847 68.868 0.138 0.000 1.557 230 T HN 0.877 nan 8.240 nan 0.000 0.494 231 T N 0.634 115.312 114.554 0.206 0.000 2.934 231 T HA 0.560 4.910 4.350 0.000 0.000 0.283 231 T C 1.061 175.827 174.700 0.109 0.000 1.005 231 T CA -0.487 61.669 62.100 0.094 0.000 1.041 231 T CB 0.622 69.556 68.868 0.110 0.000 1.042 231 T HN 0.403 nan 8.240 nan 0.000 0.505 232 F N 1.169 121.218 119.950 0.164 0.000 2.126 232 F HA -0.050 4.477 4.527 0.000 0.000 0.299 232 F C 2.682 178.572 175.800 0.150 0.000 1.096 232 F CA 1.126 59.238 58.000 0.188 0.000 1.255 232 F CB -1.062 38.006 39.000 0.113 0.000 0.997 232 F HN 0.431 nan 8.300 nan 0.000 0.479 233 V N -0.461 119.593 119.914 0.233 0.000 2.324 233 V HA -0.332 3.788 4.120 0.000 0.000 0.250 233 V C 2.412 178.570 176.094 0.106 0.000 1.060 233 V CA 2.174 64.530 62.300 0.093 0.000 1.042 233 V CB -0.878 30.910 31.823 -0.057 0.000 0.650 233 V HN 0.369 nan 8.190 nan 0.000 0.450 234 H N -1.496 117.739 119.070 0.275 0.000 2.333 234 H HA -0.093 4.463 4.556 0.000 0.000 0.302 234 H C 2.189 177.672 175.328 0.258 0.000 1.075 234 H CA 1.788 58.010 56.048 0.290 0.000 1.348 234 H CB -0.672 29.325 29.762 0.392 0.000 1.393 234 H HN 0.502 nan 8.280 nan 0.000 0.509 235 Y N 1.788 122.237 120.300 0.248 0.000 2.228 235 Y HA -0.285 4.265 4.550 0.000 0.000 0.285 235 Y C 2.530 178.498 175.900 0.113 0.000 1.178 235 Y CA 1.234 59.391 58.100 0.095 0.000 1.202 235 Y CB -0.382 37.994 38.460 -0.139 0.000 0.974 235 Y HN 0.200 nan 8.280 nan 0.000 0.527 236 A N 0.185 123.070 122.820 0.109 0.000 1.841 236 A HA -0.253 4.067 4.320 0.000 0.000 0.214 236 A C 2.153 179.675 177.584 -0.102 0.000 1.195 236 A CA 1.821 53.856 52.037 -0.003 0.000 0.611 236 A CB -1.182 17.847 19.000 0.048 0.000 0.835 236 A HN 0.586 nan 8.150 nan 0.000 0.443 237 N N -1.629 116.964 118.700 -0.180 0.000 2.272 237 N HA -0.138 4.602 4.740 0.000 0.000 0.185 237 N C 1.186 176.479 175.510 -0.362 0.000 1.014 237 N CA 1.583 54.443 53.050 -0.318 0.000 0.870 237 N CB -0.314 37.711 38.487 -0.771 0.000 0.975 237 N HN 0.395 nan 8.380 nan 0.000 0.433 238 F N -0.598 119.144 119.950 -0.346 0.000 2.317 238 F HA 0.093 4.620 4.527 0.000 0.000 0.293 238 F C 2.381 177.767 175.800 -0.691 0.000 1.085 238 F CA 0.731 58.366 58.000 -0.608 0.000 1.390 238 F CB -0.562 38.247 39.000 -0.319 0.000 1.077 238 F HN 0.268 nan 8.300 nan 0.000 0.517 239 H N 0.400 119.195 119.070 -0.459 0.000 2.543 239 H HA -0.095 4.461 4.556 0.000 0.000 0.286 239 H C 1.438 176.592 175.328 -0.291 0.000 1.037 239 H CA 0.891 56.654 56.048 -0.475 0.000 1.250 239 H CB -0.069 29.340 29.762 -0.588 0.000 1.373 239 H HN 0.210 nan 8.280 nan 0.000 0.580 240 N N 0.272 118.869 118.700 -0.171 0.000 2.331 240 N HA -0.135 4.605 4.740 0.000 0.000 0.180 240 N C 0.792 176.302 175.510 -0.000 0.000 1.019 240 N CA 1.252 54.279 53.050 -0.039 0.000 0.881 240 N CB 0.052 38.563 38.487 0.040 0.000 0.972 240 N HN 0.656 nan 8.380 nan 0.000 0.435 241 Y N -3.782 116.491 120.300 -0.045 0.000 2.666 241 Y HA 0.428 4.978 4.550 0.000 0.000 0.260 241 Y C -0.596 175.332 175.900 0.047 0.000 1.089 241 Y CA -1.032 57.046 58.100 -0.037 0.000 1.246 241 Y CB -0.214 38.203 38.460 -0.072 0.000 1.353 241 Y HN -0.208 nan 8.280 nan 0.000 0.558 242 F N 2.196 121.881 119.950 -0.442 0.000 2.771 242 F HA 0.686 5.213 4.527 0.000 0.000 0.365 242 F C -1.484 174.094 175.800 -0.371 0.000 1.169 242 F CA -2.036 55.765 58.000 -0.333 0.000 1.093 242 F CB 1.556 40.349 39.000 -0.345 0.000 1.363 242 F HN -0.171 nan 8.300 nan 0.000 0.496 243 V N 7.636 127.170 119.914 -0.633 0.000 2.313 243 V HA 0.291 4.411 4.120 0.000 0.000 0.262 243 V C -2.012 173.747 176.094 -0.558 0.000 1.011 243 V CA -1.230 60.693 62.300 -0.628 0.000 0.858 243 V CB 0.389 31.935 31.823 -0.461 0.000 1.104 243 V HN 0.554 nan 8.190 nan 0.000 0.456 244 P HA 0.069 nan 4.420 nan 0.000 0.269 244 P C -0.108 177.073 177.300 -0.199 0.000 1.209 244 P CA -0.087 62.713 63.100 -0.500 0.000 0.776 244 P CB 0.934 32.268 31.700 -0.610 0.000 0.876 245 N N 2.509 121.170 118.700 -0.065 0.000 3.303 245 N HA 0.044 4.784 4.740 0.000 0.000 0.304 245 N C 1.393 176.939 175.510 0.060 0.000 1.302 245 N CA -0.118 52.935 53.050 0.005 0.000 1.213 245 N CB -0.618 37.891 38.487 0.035 0.000 1.481 245 N HN 0.349 nan 8.380 nan 0.000 0.546 246 L N 0.625 121.876 121.223 0.046 0.000 2.123 246 L HA -0.340 4.000 4.340 0.000 0.000 0.217 246 L C 2.251 179.217 176.870 0.161 0.000 1.081 246 L CA 1.609 56.510 54.840 0.102 0.000 0.772 246 L CB -0.374 41.717 42.059 0.053 0.000 0.890 246 L HN 0.359 nan 8.230 nan 0.000 0.437 247 K N 0.065 120.538 120.400 0.122 0.000 1.971 247 K HA -0.201 4.119 4.320 0.000 0.000 0.221 247 K C 1.789 178.498 176.600 0.182 0.000 1.050 247 K CA 2.033 58.408 56.287 0.148 0.000 0.967 247 K CB -0.437 32.122 32.500 0.098 0.000 0.733 247 K HN 0.261 nan 8.250 nan 0.000 0.445 248 D N 0.645 121.122 120.400 0.127 0.000 2.117 248 D HA -0.174 4.466 4.640 0.000 0.000 0.197 248 D C 1.803 178.175 176.300 0.120 0.000 0.987 248 D CA 1.087 55.148 54.000 0.101 0.000 0.829 248 D CB -0.229 40.616 40.800 0.075 0.000 0.961 248 D HN 0.189 nan 8.370 nan 0.000 0.460 249 M N -0.677 119.025 119.600 0.170 0.000 2.202 249 M HA -0.191 4.289 4.480 0.000 0.000 0.262 249 M C 1.841 178.269 176.300 0.213 0.000 1.063 249 M CA 1.270 56.702 55.300 0.220 0.000 1.097 249 M CB -0.013 32.748 32.600 0.267 0.000 1.382 249 M HN 0.011 nan 8.290 nan 0.000 0.413 250 F N 0.170 120.166 119.950 0.078 0.000 2.118 250 F HA -0.062 4.465 4.527 0.000 0.000 0.293 250 F C 2.273 178.075 175.800 0.002 0.000 1.102 250 F CA 1.763 59.796 58.000 0.054 0.000 1.247 250 F CB -0.758 38.319 39.000 0.128 0.000 1.017 250 F HN 0.103 nan 8.300 nan 0.000 0.475 251 S N 0.775 116.475 115.700 -0.000 0.000 2.359 251 S HA -0.290 4.180 4.470 0.000 0.000 0.222 251 S C 2.141 176.619 174.600 -0.204 0.000 1.038 251 S CA 1.740 59.867 58.200 -0.122 0.000 1.051 251 S CB -0.623 62.588 63.200 0.018 0.000 0.944 251 S HN 0.351 nan 8.310 nan 0.000 0.433 252 R N 0.925 121.348 120.500 -0.128 0.000 2.139 252 R HA -0.096 4.244 4.340 0.000 0.000 0.243 252 R C 2.114 178.283 176.300 -0.219 0.000 1.145 252 R CA 1.256 57.276 56.100 -0.134 0.000 0.976 252 R CB -0.372 29.843 30.300 -0.141 0.000 0.866 252 R HN 0.424 nan 8.270 nan 0.000 0.449 253 A N -0.616 121.973 122.820 -0.386 0.000 2.206 253 A HA 0.040 4.360 4.320 0.000 0.000 0.211 253 A C 1.640 178.776 177.584 -0.746 0.000 1.158 253 A CA 0.639 52.162 52.037 -0.856 0.000 0.761 253 A CB 0.338 18.766 19.000 -0.953 0.000 0.801 253 A HN 0.186 nan 8.150 nan 0.000 0.473 254 V N -0.935 118.647 119.914 -0.555 0.000 2.840 254 V HA 0.006 4.126 4.120 0.000 0.000 0.234 254 V C 1.377 177.298 176.094 -0.288 0.000 1.159 254 V CA 1.416 63.424 62.300 -0.487 0.000 1.194 254 V CB -0.372 31.100 31.823 -0.586 0.000 0.971 254 V HN 0.560 nan 8.190 nan 0.000 0.494 255 T N 0.441 114.868 114.554 -0.211 0.000 3.414 255 T HA 0.643 4.993 4.350 0.000 0.000 0.304 255 T C -0.579 174.071 174.700 -0.084 0.000 1.241 255 T CA 0.141 62.177 62.100 -0.106 0.000 1.076 255 T CB -0.112 68.717 68.868 -0.065 0.000 1.134 255 T HN 0.291 nan 8.240 nan 0.000 0.759 256 M N 2.701 122.260 119.600 -0.068 0.000 2.394 256 M HA 0.196 4.676 4.480 0.000 0.000 0.246 256 M C -0.249 176.071 176.300 0.032 0.000 0.967 256 M CA -0.301 54.993 55.300 -0.009 0.000 0.835 256 M CB 1.792 34.398 32.600 0.009 0.000 2.169 256 M HN 0.577 nan 8.290 nan 0.000 0.479 257 T N 2.570 117.180 114.554 0.092 0.000 2.937 257 T HA 0.360 4.710 4.350 0.000 0.000 0.316 257 T C 1.215 176.020 174.700 0.175 0.000 1.079 257 T CA 0.926 63.129 62.100 0.172 0.000 1.131 257 T CB 0.970 69.972 68.868 0.223 0.000 1.000 257 T HN 0.833 nan 8.240 nan 0.000 0.549 258 A N 4.902 127.863 122.820 0.235 0.000 1.869 258 A HA -0.027 4.293 4.320 0.000 0.000 0.218 258 A C 2.781 180.388 177.584 0.038 0.000 1.203 258 A CA 2.723 54.846 52.037 0.144 0.000 0.638 258 A CB -1.683 17.450 19.000 0.220 0.000 0.831 258 A HN 1.433 nan 8.150 nan 0.000 0.450 259 A N -0.967 121.799 122.820 -0.090 0.000 1.892 259 A HA -0.147 4.173 4.320 0.000 0.000 0.218 259 A C 2.479 180.060 177.584 -0.004 0.000 1.188 259 A CA 2.450 54.407 52.037 -0.133 0.000 0.631 259 A CB -1.045 17.820 19.000 -0.225 0.000 0.822 259 A HN 0.513 nan 8.150 nan 0.000 0.447 260 S N -1.947 113.789 115.700 0.060 0.000 2.348 260 S HA -0.166 4.304 4.470 0.000 0.000 0.221 260 S C 1.862 176.547 174.600 0.141 0.000 1.033 260 S CA 1.479 59.736 58.200 0.095 0.000 1.010 260 S CB -0.584 62.676 63.200 0.101 0.000 0.891 260 S HN 0.661 nan 8.310 nan 0.000 0.442 261 Y N 2.402 122.724 120.300 0.036 0.000 2.207 261 Y HA -0.190 4.360 4.550 0.000 0.000 0.287 261 Y C 2.405 178.358 175.900 0.089 0.000 1.156 261 Y CA 0.849 58.995 58.100 0.078 0.000 1.182 261 Y CB -0.769 37.700 38.460 0.016 0.000 0.979 261 Y HN 0.227 nan 8.280 nan 0.000 0.521 262 A N 0.183 123.038 122.820 0.059 0.000 1.908 262 A HA -0.248 4.072 4.320 0.000 0.000 0.218 262 A C 2.339 179.864 177.584 -0.099 0.000 1.181 262 A CA 2.051 54.043 52.037 -0.076 0.000 0.627 262 A CB -0.747 18.170 19.000 -0.138 0.000 0.818 262 A HN 0.532 nan 8.150 nan 0.000 0.445 263 R N -2.063 118.416 120.500 -0.035 0.000 2.093 263 R HA -0.119 4.221 4.340 0.000 0.000 0.224 263 R C 2.068 178.344 176.300 -0.041 0.000 1.101 263 R CA 1.465 57.553 56.100 -0.020 0.000 0.979 263 R CB -0.562 29.761 30.300 0.038 0.000 0.877 263 R HN 0.590 nan 8.270 nan 0.000 0.441 264 Y N 0.440 120.664 120.300 -0.126 0.000 2.193 264 Y HA -0.221 4.329 4.550 0.000 0.000 0.285 264 Y C 1.627 177.416 175.900 -0.186 0.000 1.166 264 Y CA 1.772 59.784 58.100 -0.147 0.000 1.181 264 Y CB -0.349 37.999 38.460 -0.187 0.000 0.976 264 Y HN -0.094 nan 8.280 nan 0.000 0.520 265 V N 0.047 119.643 119.914 -0.530 0.000 2.346 265 V HA -0.224 3.896 4.120 0.000 0.000 0.244 265 V C 2.403 178.313 176.094 -0.307 0.000 1.037 265 V CA 1.514 63.491 62.300 -0.538 0.000 1.029 265 V CB -0.847 30.760 31.823 -0.359 0.000 0.663 265 V HN 0.483 nan 8.190 nan 0.000 0.454 266 L N 0.035 121.142 121.223 -0.195 0.000 2.043 266 L HA -0.276 4.064 4.340 0.000 0.000 0.212 266 L C 2.507 179.307 176.870 -0.116 0.000 1.075 266 L CA 2.083 56.854 54.840 -0.115 0.000 0.752 266 L CB -0.496 41.524 42.059 -0.065 0.000 0.891 266 L HN 0.373 nan 8.230 nan 0.000 0.432 267 Q N -0.954 118.761 119.800 -0.142 0.000 2.079 267 Q HA -0.231 4.109 4.340 0.000 0.000 0.200 267 Q C 2.319 178.232 176.000 -0.144 0.000 0.974 267 Q CA 1.545 57.280 55.803 -0.114 0.000 0.840 267 Q CB -0.195 28.493 28.738 -0.083 0.000 0.898 267 Q HN 0.463 nan 8.270 nan 0.000 0.430 268 K N 0.621 120.867 120.400 -0.258 0.000 2.113 268 K HA -0.150 4.170 4.320 0.000 0.000 0.208 268 K C 2.014 178.535 176.600 -0.132 0.000 1.047 268 K CA 0.980 57.125 56.287 -0.237 0.000 0.928 268 K CB -0.035 32.224 32.500 -0.402 0.000 0.716 268 K HN 0.185 nan 8.250 nan 0.000 0.446 269 L N 0.011 121.159 121.223 -0.125 0.000 2.044 269 L HA -0.161 4.179 4.340 0.000 0.000 0.205 269 L C 2.289 179.110 176.870 -0.083 0.000 1.075 269 L CA 0.730 55.519 54.840 -0.086 0.000 0.747 269 L CB -0.531 41.474 42.059 -0.090 0.000 0.903 269 L HN -0.019 nan 8.230 nan 0.000 0.435 270 V N 0.486 120.353 119.914 -0.077 0.000 2.324 270 V HA -0.330 3.790 4.120 0.000 0.000 0.250 270 V C 2.488 178.556 176.094 -0.043 0.000 1.060 270 V CA 2.014 64.278 62.300 -0.060 0.000 1.042 270 V CB -0.550 31.250 31.823 -0.038 0.000 0.650 270 V HN 0.356 nan 8.190 nan 0.000 0.450 271 L N -0.402 120.799 121.223 -0.037 0.000 1.970 271 L HA -0.172 4.168 4.340 0.000 0.000 0.212 271 L C 2.227 179.087 176.870 -0.017 0.000 1.071 271 L CA 2.006 56.835 54.840 -0.018 0.000 0.751 271 L CB -0.600 41.447 42.059 -0.019 0.000 0.889 271 L HN 0.167 nan 8.230 nan 0.000 0.432 272 L N 0.001 121.211 121.223 -0.021 0.000 2.129 272 L HA -0.232 4.108 4.340 0.000 0.000 0.212 272 L C 2.596 179.452 176.870 -0.023 0.000 1.087 272 L CA 1.857 56.693 54.840 -0.007 0.000 0.757 272 L CB -0.917 41.153 42.059 0.018 0.000 0.896 272 L HN 0.486 nan 8.230 nan 0.000 0.434 273 E N -0.670 119.498 120.200 -0.053 0.000 2.047 273 E HA -0.221 4.129 4.350 0.000 0.000 0.191 273 E C 2.217 178.788 176.600 -0.047 0.000 0.987 273 E CA 1.124 57.480 56.400 -0.073 0.000 0.799 273 E CB -0.074 29.565 29.700 -0.102 0.000 0.752 273 E HN 0.443 nan 8.360 nan 0.000 0.449 274 M N 0.085 119.668 119.600 -0.029 0.000 2.460 274 M HA -0.098 4.382 4.480 0.000 0.000 0.263 274 M C 1.551 177.851 176.300 0.001 0.000 1.071 274 M CA 1.027 56.323 55.300 -0.007 0.000 1.096 274 M CB 0.123 32.734 32.600 0.019 0.000 1.408 274 M HN -0.100 nan 8.290 nan 0.000 0.463 275 K N -0.130 120.268 120.400 -0.003 0.000 2.417 275 K HA 0.149 4.469 4.320 0.000 0.000 0.196 275 K C 1.105 177.704 176.600 -0.001 0.000 1.023 275 K CA 0.422 56.711 56.287 0.002 0.000 1.122 275 K CB 0.215 32.718 32.500 0.005 0.000 0.850 275 K HN 0.485 nan 8.250 nan 0.000 0.521 276 G N 0.887 109.682 108.800 -0.009 0.000 2.189 276 G HA2 -0.298 3.662 3.960 0.000 0.000 0.267 276 G HA3 -0.298 3.662 3.960 0.000 0.000 0.267 276 G C 0.810 175.709 174.900 -0.001 0.000 0.975 276 G CA 0.264 45.358 45.100 -0.010 0.000 0.644 276 G HN 0.474 nan 8.290 nan 0.000 0.537 277 G N -0.799 108.006 108.800 0.008 0.000 2.740 277 G HA2 0.080 4.040 3.960 0.000 0.000 0.208 277 G HA3 0.080 4.040 3.960 0.000 0.000 0.208 277 G C 1.251 176.195 174.900 0.074 0.000 1.148 277 G CA 1.497 46.624 45.100 0.044 0.000 0.795 277 G HN 0.747 nan 8.290 nan 0.000 0.526 278 c N -0.763 117.839 118.600 0.003 0.000 2.974 278 c HA 0.418 4.988 4.570 0.000 0.000 0.282 278 c C 1.975 176.065 174.090 -0.001 0.000 1.292 278 c CA -0.362 55.945 56.329 -0.036 0.000 1.710 278 c CB -0.588 41.845 42.510 -0.129 0.000 2.036 278 c HN 0.533 nan 8.230 nan 0.000 0.629 279 R N -0.392 120.117 120.500 0.015 0.000 2.637 279 R HA 0.108 4.448 4.340 0.000 0.000 0.262 279 R C -0.045 176.263 176.300 0.013 0.000 0.959 279 R CA 0.110 56.216 56.100 0.010 0.000 1.061 279 R CB 0.413 30.709 30.300 -0.007 0.000 1.610 279 R HN 0.193 nan 8.270 nan 0.000 0.548 280 E N 1.341 121.551 120.200 0.016 0.000 4.044 280 E HA 0.215 4.565 4.350 0.000 0.000 0.216 280 E C -2.614 173.990 176.600 0.007 0.000 1.104 280 E CA -1.742 54.659 56.400 0.002 0.000 1.383 280 E CB 1.384 31.079 29.700 -0.009 0.000 1.195 280 E HN -0.026 nan 8.360 nan 0.000 0.442 281 P HA -0.113 nan 4.420 nan 0.000 0.235 281 P C -0.082 177.176 177.300 -0.069 0.000 1.080 281 P CA 0.545 63.668 63.100 0.038 0.000 1.096 281 P CB -0.008 31.715 31.700 0.039 0.000 1.085 282 E N 2.746 122.911 120.200 -0.059 0.000 2.344 282 E HA 0.097 4.447 4.350 0.000 0.000 0.270 282 E C -0.123 176.364 176.600 -0.188 0.000 1.021 282 E CA -0.004 56.331 56.400 -0.108 0.000 0.887 282 E CB 0.177 29.841 29.700 -0.061 0.000 0.997 282 E HN 0.349 nan 8.360 nan 0.000 0.429 283 L N 5.545 126.599 121.223 -0.282 0.000 2.423 283 L HA 0.216 4.556 4.340 0.000 0.000 0.249 283 L C -0.503 176.221 176.870 -0.243 0.000 1.276 283 L CA -0.315 54.266 54.840 -0.432 0.000 1.199 283 L CB -0.667 40.979 42.059 -0.689 0.000 1.407 283 L HN 0.555 nan 8.230 nan 0.000 0.410 284 D N -2.770 117.562 120.400 -0.113 0.000 2.467 284 D HA 0.296 4.936 4.640 0.000 0.000 0.245 284 D C 1.283 177.640 176.300 0.094 0.000 1.038 284 D CA -0.273 53.736 54.000 0.015 0.000 1.038 284 D CB 0.706 41.505 40.800 -0.001 0.000 1.278 284 D HN 0.100 nan 8.370 nan 0.000 0.564 285 T N -2.586 112.050 114.554 0.138 0.000 2.665 285 T HA -0.298 4.052 4.350 0.000 0.000 0.268 285 T C 1.513 176.314 174.700 0.169 0.000 1.035 285 T CA 1.758 63.976 62.100 0.196 0.000 1.151 285 T CB -0.666 68.215 68.868 0.022 0.000 0.862 285 T HN 0.616 nan 8.240 nan 0.000 0.438 286 E N 0.923 121.176 120.200 0.088 0.000 2.023 286 E HA -0.195 4.155 4.350 0.000 0.000 0.196 286 E C 2.347 178.996 176.600 0.081 0.000 1.003 286 E CA 1.916 58.362 56.400 0.077 0.000 0.809 286 E CB -0.510 29.218 29.700 0.046 0.000 0.755 286 E HN 0.583 nan 8.360 nan 0.000 0.449 287 T N 1.219 115.802 114.554 0.048 0.000 2.720 287 T HA -0.176 4.174 4.350 0.000 0.000 0.268 287 T C 1.828 176.530 174.700 0.005 0.000 1.037 287 T CA 1.241 63.359 62.100 0.030 0.000 1.144 287 T CB -0.232 68.618 68.868 -0.030 0.000 0.864 287 T HN 0.068 nan 8.240 nan 0.000 0.444 288 L N 0.684 121.887 121.223 -0.033 0.000 2.093 288 L HA -0.041 4.299 4.340 0.000 0.000 0.208 288 L C 2.800 179.714 176.870 0.074 0.000 1.085 288 L CA 1.583 56.329 54.840 -0.157 0.000 0.755 288 L CB -1.051 40.691 42.059 -0.528 0.000 0.904 288 L HN 0.237 nan 8.230 nan 0.000 0.435 289 T N -1.321 113.399 114.554 0.276 0.000 2.652 289 T HA -0.228 4.122 4.350 0.000 0.000 0.267 289 T C 1.881 176.738 174.700 0.261 0.000 1.039 289 T CA 2.155 64.466 62.100 0.352 0.000 1.153 289 T CB -0.556 68.474 68.868 0.271 0.000 0.863 289 T HN 0.623 nan 8.240 nan 0.000 0.428 290 T N 1.322 115.970 114.554 0.157 0.000 2.685 290 T HA -0.208 4.142 4.350 0.000 0.000 0.268 290 T C 2.009 176.787 174.700 0.131 0.000 1.034 290 T CA 1.522 63.681 62.100 0.099 0.000 1.149 290 T CB -0.715 68.190 68.868 0.062 0.000 0.860 290 T HN 0.291 nan 8.240 nan 0.000 0.449 291 M N 0.188 119.863 119.600 0.125 0.000 2.082 291 M HA 0.012 4.492 4.480 0.000 0.000 0.258 291 M C 2.164 178.559 176.300 0.159 0.000 1.071 291 M CA 2.286 57.645 55.300 0.098 0.000 1.103 291 M CB -0.722 31.797 32.600 -0.135 0.000 1.307 291 M HN 0.295 nan 8.290 nan 0.000 0.409 292 F N 1.445 121.354 119.950 -0.069 0.000 2.126 292 F HA -0.217 4.310 4.527 0.000 0.000 0.299 292 F C 2.144 178.089 175.800 0.241 0.000 1.096 292 F CA 1.818 59.886 58.000 0.113 0.000 1.255 292 F CB -0.415 38.660 39.000 0.125 0.000 0.997 292 F HN 0.203 nan 8.300 nan 0.000 0.479 293 E N -0.425 119.832 120.200 0.096 0.000 2.150 293 E HA -0.147 4.203 4.350 0.000 0.000 0.193 293 E C 2.378 179.034 176.600 0.093 0.000 0.985 293 E CA 1.280 57.715 56.400 0.059 0.000 0.814 293 E CB -0.371 29.395 29.700 0.110 0.000 0.752 293 E HN 0.328 nan 8.360 nan 0.000 0.466 294 V N 1.756 121.747 119.914 0.129 0.000 2.407 294 V HA -0.255 3.865 4.120 0.000 0.000 0.248 294 V C 2.537 178.815 176.094 0.307 0.000 1.055 294 V CA 2.143 64.560 62.300 0.195 0.000 1.049 294 V CB -0.462 31.493 31.823 0.221 0.000 0.662 294 V HN 0.359 nan 8.190 nan 0.000 0.455 295 S N -0.739 115.113 115.700 0.253 0.000 2.414 295 S HA -0.079 4.391 4.470 0.000 0.000 0.227 295 S C 1.891 176.634 174.600 0.238 0.000 1.022 295 S CA 1.148 59.488 58.200 0.234 0.000 0.958 295 S CB -0.177 63.144 63.200 0.203 0.000 0.797 295 S HN 0.316 nan 8.310 nan 0.000 0.493 296 V N 2.524 122.489 119.914 0.085 0.000 2.515 296 V HA -0.073 4.047 4.120 0.000 0.000 0.250 296 V C 3.089 179.365 176.094 0.304 0.000 1.058 296 V CA 1.499 63.862 62.300 0.105 0.000 1.064 296 V CB -1.455 30.241 31.823 -0.211 0.000 0.675 296 V HN 0.645 nan 8.190 nan 0.000 0.461 297 A N -0.432 122.644 122.820 0.425 0.000 1.902 297 A HA -0.185 4.135 4.320 0.000 0.000 0.217 297 A C 2.033 179.699 177.584 0.136 0.000 1.181 297 A CA 1.799 54.055 52.037 0.366 0.000 0.623 297 A CB -0.662 18.442 19.000 0.174 0.000 0.818 297 A HN 0.469 nan 8.150 nan 0.000 0.443 298 F N -1.713 118.301 119.950 0.107 0.000 2.206 298 F HA -0.019 4.508 4.527 0.000 0.000 0.298 298 F C 1.966 177.842 175.800 0.126 0.000 1.090 298 F CA 1.318 59.347 58.000 0.049 0.000 1.323 298 F CB -0.465 38.554 39.000 0.032 0.000 1.028 298 F HN 0.364 nan 8.300 nan 0.000 0.492 299 F N 1.206 121.299 119.950 0.239 0.000 2.134 299 F HA -0.168 4.359 4.527 0.000 0.000 0.299 299 F C 2.295 178.227 175.800 0.220 0.000 1.097 299 F CA 1.522 59.655 58.000 0.222 0.000 1.264 299 F CB -0.569 38.546 39.000 0.191 0.000 1.001 299 F HN -0.283 nan 8.300 nan 0.000 0.479 300 K N 0.546 120.902 120.400 -0.073 0.000 2.034 300 K HA -0.169 4.151 4.320 0.000 0.000 0.214 300 K C 2.215 178.780 176.600 -0.059 0.000 1.051 300 K CA 1.823 58.009 56.287 -0.168 0.000 0.931 300 K CB -1.051 31.408 32.500 -0.067 0.000 0.715 300 K HN 0.283 nan 8.250 nan 0.000 0.446 301 V N 0.360 120.264 119.914 -0.017 0.000 2.332 301 V HA -0.209 3.912 4.120 0.000 0.000 0.248 301 V C 2.467 178.617 176.094 0.095 0.000 1.055 301 V CA 2.210 64.514 62.300 0.007 0.000 1.038 301 V CB -0.985 30.701 31.823 -0.228 0.000 0.651 301 V HN 0.463 nan 8.190 nan 0.000 0.450 302 G N -1.615 107.268 108.800 0.140 0.000 2.408 302 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 302 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 302 G C 1.549 176.574 174.900 0.209 0.000 1.150 302 G CA 0.783 46.087 45.100 0.340 0.000 0.776 302 G HN 0.608 nan 8.290 nan 0.000 0.542 303 H N 0.686 119.678 119.070 -0.130 0.000 2.524 303 H HA 0.180 4.736 4.556 0.000 0.000 0.282 303 H C 2.578 177.851 175.328 -0.091 0.000 1.016 303 H CA 0.840 56.756 56.048 -0.220 0.000 1.270 303 H CB 0.252 29.629 29.762 -0.642 0.000 1.394 303 H HN 0.346 nan 8.280 nan 0.000 0.568 304 A N 0.292 123.098 122.820 -0.023 0.000 1.840 304 A HA -0.070 4.250 4.320 0.000 0.000 0.214 304 A C 2.591 180.150 177.584 -0.043 0.000 1.198 304 A CA 1.180 53.202 52.037 -0.024 0.000 0.608 304 A CB -0.798 18.280 19.000 0.131 0.000 0.839 304 A HN 0.246 nan 8.150 nan 0.000 0.443 305 V N 0.331 120.282 119.914 0.061 0.000 2.867 305 V HA -0.139 3.981 4.120 0.000 0.000 0.260 305 V C 2.573 178.659 176.094 -0.015 0.000 1.099 305 V CA 1.618 63.957 62.300 0.065 0.000 1.122 305 V CB -1.367 30.563 31.823 0.178 0.000 0.708 305 V HN 0.616 nan 8.190 nan 0.000 0.490 306 G N -0.393 108.363 108.800 -0.073 0.000 2.404 306 G HA2 -0.136 3.824 3.960 0.000 0.000 0.213 306 G HA3 -0.136 3.824 3.960 0.000 0.000 0.213 306 G C 1.425 176.220 174.900 -0.174 0.000 1.189 306 G CA 0.330 45.347 45.100 -0.137 0.000 0.796 306 G HN 0.447 nan 8.290 nan 0.000 0.532 307 E N 0.871 120.915 120.200 -0.260 0.000 2.097 307 E HA -0.134 4.216 4.350 0.000 0.000 0.196 307 E C 1.962 178.478 176.600 -0.140 0.000 1.000 307 E CA 1.555 57.820 56.400 -0.225 0.000 0.804 307 E CB -0.766 28.785 29.700 -0.248 0.000 0.740 307 E HN 0.524 nan 8.360 nan 0.000 0.454 308 T N -0.535 113.945 114.554 -0.123 0.000 3.783 308 T HA 0.434 4.784 4.350 0.000 0.000 0.262 308 T C 0.555 175.213 174.700 -0.070 0.000 1.381 308 T CA -0.167 61.877 62.100 -0.094 0.000 1.155 308 T CB 0.032 68.840 68.868 -0.101 0.000 1.256 308 T HN 0.049 nan 8.240 nan 0.000 0.807 309 G N 1.559 110.318 108.800 -0.068 0.000 2.398 309 G HA2 0.272 4.232 3.960 0.000 0.000 0.246 309 G HA3 0.272 4.232 3.960 0.000 0.000 0.246 309 G C 0.617 175.492 174.900 -0.042 0.000 1.289 309 G CA -0.689 44.380 45.100 -0.053 0.000 0.869 309 G HN 0.594 nan 8.290 nan 0.000 0.543 310 N N -0.026 118.654 118.700 -0.033 0.000 2.714 310 N HA -0.171 4.569 4.740 0.000 0.000 0.250 310 N C 0.914 176.408 175.510 -0.028 0.000 1.117 310 N CA 1.301 54.334 53.050 -0.027 0.000 0.719 310 N CB -1.122 37.350 38.487 -0.025 0.000 1.081 310 N HN 0.888 nan 8.380 nan 0.000 0.557 311 G N -0.986 107.795 108.800 -0.032 0.000 2.890 311 G HA2 0.614 4.574 3.960 0.000 0.000 0.189 311 G HA3 0.614 4.574 3.960 0.000 0.000 0.189 311 G C -0.735 174.149 174.900 -0.027 0.000 1.342 311 G CA 0.131 45.209 45.100 -0.035 0.000 1.026 311 G HN 0.391 nan 8.290 nan 0.000 0.579 312 c N 0.353 118.935 118.600 -0.031 0.000 2.716 312 c HA 0.551 5.121 4.570 0.000 0.000 0.366 312 c C -0.364 173.714 174.090 -0.019 0.000 1.073 312 c CA -0.764 55.555 56.329 -0.017 0.000 1.260 312 c CB 0.276 42.780 42.510 -0.011 0.000 1.755 312 c HN 0.789 nan 8.230 nan 0.000 0.475 313 V N 2.759 122.678 119.914 0.009 0.000 2.432 313 V HA 0.460 4.580 4.120 0.000 0.000 0.275 313 V C 0.173 176.320 176.094 0.088 0.000 1.043 313 V CA -0.153 62.165 62.300 0.031 0.000 0.925 313 V CB 1.292 33.184 31.823 0.115 0.000 0.985 313 V HN 0.866 nan 8.190 nan 0.000 0.466 314 D N 3.021 123.477 120.400 0.095 0.000 2.488 314 D HA 0.021 4.662 4.640 0.000 0.000 0.238 314 D C 0.763 177.188 176.300 0.209 0.000 1.138 314 D CA -0.118 53.959 54.000 0.127 0.000 0.873 314 D CB 1.282 42.151 40.800 0.115 0.000 1.183 314 D HN 0.608 nan 8.370 nan 0.000 0.458 315 L N 4.460 125.784 121.223 0.169 0.000 2.191 315 L HA -0.098 4.242 4.340 0.000 0.000 0.212 315 L C 2.043 179.102 176.870 0.315 0.000 1.103 315 L CA 1.628 56.592 54.840 0.206 0.000 0.769 315 L CB -0.273 41.905 42.059 0.197 0.000 0.908 315 L HN 0.474 nan 8.230 nan 0.000 0.438 316 R N -1.487 119.194 120.500 0.301 0.000 2.092 316 R HA -0.219 4.121 4.340 0.000 0.000 0.231 316 R C 2.170 178.645 176.300 0.291 0.000 1.119 316 R CA 1.709 58.008 56.100 0.331 0.000 0.970 316 R CB -0.808 29.534 30.300 0.070 0.000 0.864 316 R HN 0.607 nan 8.270 nan 0.000 0.440 317 W N 2.213 123.587 121.300 0.124 0.000 2.355 317 W HA -0.176 4.484 4.660 0.000 0.000 0.309 317 W C 1.456 178.071 176.519 0.159 0.000 1.206 317 W CA 1.395 58.809 57.345 0.116 0.000 1.284 317 W CB -0.214 29.298 29.460 0.087 0.000 1.145 317 W HN 0.049 nan 8.180 nan 0.000 0.502 318 L N 1.209 122.556 121.223 0.207 0.000 2.005 318 L HA -0.167 4.173 4.340 0.000 0.000 0.207 318 L C 2.923 179.855 176.870 0.103 0.000 1.072 318 L CA 1.534 56.478 54.840 0.174 0.000 0.744 318 L CB -1.743 40.401 42.059 0.142 0.000 0.895 318 L HN -0.081 nan 8.230 nan 0.000 0.433 319 A N -0.051 122.817 122.820 0.080 0.000 2.032 319 A HA -0.267 4.053 4.320 0.000 0.000 0.221 319 A C 2.445 180.045 177.584 0.027 0.000 1.165 319 A CA 2.203 54.251 52.037 0.019 0.000 0.645 319 A CB -0.443 18.520 19.000 -0.062 0.000 0.807 319 A HN 0.414 nan 8.150 nan 0.000 0.453 320 K N -1.162 119.235 120.400 -0.006 0.000 2.121 320 K HA 0.025 4.345 4.320 0.000 0.000 0.203 320 K C 2.252 178.799 176.600 -0.087 0.000 1.041 320 K CA 1.024 57.289 56.287 -0.038 0.000 0.969 320 K CB -0.052 32.390 32.500 -0.097 0.000 0.799 320 K HN 0.396 nan 8.250 nan 0.000 0.456 321 S N 0.783 116.280 115.700 -0.338 0.000 2.343 321 S HA -0.085 4.385 4.470 0.000 0.000 0.219 321 S C 1.638 176.102 174.600 -0.226 0.000 1.033 321 S CA 1.324 59.272 58.200 -0.420 0.000 1.014 321 S CB -0.391 62.370 63.200 -0.732 0.000 0.915 321 S HN 0.263 nan 8.310 nan 0.000 0.435 322 F N 0.717 120.561 119.950 -0.177 0.000 2.408 322 F HA -0.030 4.497 4.527 0.000 0.000 0.300 322 F C 1.815 177.559 175.800 -0.093 0.000 1.090 322 F CA 0.661 58.590 58.000 -0.117 0.000 1.427 322 F CB -0.290 38.677 39.000 -0.055 0.000 1.070 322 F HN 0.214 nan 8.300 nan 0.000 0.549 323 F N 1.244 121.168 119.950 -0.044 0.000 2.098 323 F HA -0.128 4.399 4.527 0.000 0.000 0.294 323 F C 2.300 178.005 175.800 -0.159 0.000 1.107 323 F CA 1.458 59.397 58.000 -0.102 0.000 1.234 323 F CB -0.535 38.401 39.000 -0.107 0.000 1.002 323 F HN -0.193 nan 8.300 nan 0.000 0.472 324 E N 0.837 120.837 120.200 -0.333 0.000 2.209 324 E HA -0.197 4.153 4.350 0.000 0.000 0.196 324 E C 2.398 178.728 176.600 -0.451 0.000 0.993 324 E CA 1.206 57.357 56.400 -0.415 0.000 0.819 324 E CB -0.520 29.063 29.700 -0.195 0.000 0.745 324 E HN 0.502 nan 8.360 nan 0.000 0.477 325 L N 0.268 121.211 121.223 -0.466 0.000 2.095 325 L HA -0.091 4.249 4.340 0.000 0.000 0.204 325 L C 2.451 179.137 176.870 -0.306 0.000 1.080 325 L CA 1.151 55.646 54.840 -0.575 0.000 0.759 325 L CB -0.486 41.116 42.059 -0.763 0.000 0.914 325 L HN 0.077 nan 8.230 nan 0.000 0.439 326 T N -0.589 113.803 114.554 -0.271 0.000 2.708 326 T HA -0.215 4.135 4.350 0.000 0.000 0.266 326 T C 1.885 176.405 174.700 -0.299 0.000 1.037 326 T CA 1.572 63.555 62.100 -0.195 0.000 1.146 326 T CB -0.364 68.398 68.868 -0.176 0.000 0.865 326 T HN 0.168 nan 8.240 nan 0.000 0.435 327 V N 1.242 120.819 119.914 -0.561 0.000 2.407 327 V HA -0.080 4.040 4.120 0.000 0.000 0.248 327 V C 2.241 178.183 176.094 -0.254 0.000 1.055 327 V CA 1.441 63.401 62.300 -0.567 0.000 1.049 327 V CB -0.494 30.832 31.823 -0.829 0.000 0.662 327 V HN 0.376 nan 8.190 nan 0.000 0.455 328 L N 0.795 121.890 121.223 -0.213 0.000 2.027 328 L HA -0.130 4.210 4.340 0.000 0.000 0.206 328 L C 2.536 179.432 176.870 0.043 0.000 1.074 328 L CA 2.673 57.472 54.840 -0.069 0.000 0.745 328 L CB -0.977 41.035 42.059 -0.079 0.000 0.898 328 L HN 0.400 nan 8.230 nan 0.000 0.433 329 K N -0.743 119.723 120.400 0.110 0.000 2.113 329 K HA -0.224 4.096 4.320 0.000 0.000 0.208 329 K C 1.650 178.268 176.600 0.030 0.000 1.047 329 K CA 1.892 58.261 56.287 0.135 0.000 0.928 329 K CB -0.226 32.374 32.500 0.168 0.000 0.716 329 K HN 0.453 nan 8.250 nan 0.000 0.446 330 D N 0.941 121.328 120.400 -0.021 0.000 2.084 330 D HA -0.180 4.460 4.640 0.000 0.000 0.196 330 D C 1.966 178.242 176.300 -0.040 0.000 0.985 330 D CA 1.186 55.164 54.000 -0.037 0.000 0.826 330 D CB -0.207 40.557 40.800 -0.060 0.000 0.978 330 D HN 0.324 nan 8.370 nan 0.000 0.456 331 I N 0.941 121.484 120.570 -0.045 0.000 2.286 331 I HA -0.235 3.935 4.170 0.000 0.000 0.248 331 I C 2.167 178.220 176.117 -0.105 0.000 1.115 331 I CA 0.917 62.173 61.300 -0.074 0.000 1.392 331 I CB 0.035 37.995 38.000 -0.066 0.000 1.065 331 I HN -0.096 nan 8.210 nan 0.000 0.418 332 I N 0.694 121.236 120.570 -0.047 0.000 2.361 332 I HA -0.207 3.963 4.170 0.000 0.000 0.251 332 I C 2.428 178.540 176.117 -0.010 0.000 1.133 332 I CA 1.460 62.752 61.300 -0.013 0.000 1.413 332 I CB -0.722 37.323 38.000 0.076 0.000 1.073 332 I HN 0.339 nan 8.210 nan 0.000 0.424 333 G N 0.657 109.447 108.800 -0.016 0.000 2.441 333 G HA2 -0.027 3.933 3.960 0.000 0.000 0.212 333 G HA3 -0.027 3.933 3.960 0.000 0.000 0.212 333 G C 1.661 176.541 174.900 -0.033 0.000 1.164 333 G CA 0.117 45.214 45.100 -0.005 0.000 0.811 333 G HN 0.264 nan 8.290 nan 0.000 0.535 334 I N 0.226 120.756 120.570 -0.066 0.000 2.226 334 I HA -0.171 3.999 4.170 0.000 0.000 0.245 334 I C 2.836 178.886 176.117 -0.113 0.000 1.100 334 I CA 0.568 61.821 61.300 -0.079 0.000 1.374 334 I CB -0.292 37.656 38.000 -0.087 0.000 1.057 334 I HN 0.318 nan 8.210 nan 0.000 0.413 335 c N 0.139 118.616 118.600 -0.206 0.000 2.610 335 c HA -0.077 4.493 4.570 0.000 0.000 0.285 335 c C 1.098 175.050 174.090 -0.229 0.000 1.267 335 c CA 0.217 56.334 56.329 -0.354 0.000 1.716 335 c CB -0.557 41.516 42.510 -0.729 0.000 2.117 335 c HN 0.269 nan 8.230 nan 0.000 0.481 336 Y N -0.126 120.180 120.300 0.009 0.000 2.419 336 Y HA 0.473 5.023 4.550 0.000 0.000 0.328 336 Y C 1.115 177.023 175.900 0.015 0.000 1.162 336 Y CA -0.707 57.406 58.100 0.021 0.000 1.174 336 Y CB 0.236 38.724 38.460 0.046 0.000 1.228 336 Y HN 0.282 nan 8.280 nan 0.000 0.473 337 G N 0.741 109.652 108.800 0.184 0.000 3.397 337 G HA2 0.366 4.326 3.960 0.000 0.000 0.248 337 G HA3 0.366 4.326 3.960 0.000 0.000 0.248 337 G C 0.149 175.102 174.900 0.089 0.000 1.284 337 G CA 0.052 45.208 45.100 0.094 0.000 1.570 337 G HN 0.745 nan 8.290 nan 0.000 0.587 338 A N 0.432 123.328 122.820 0.127 0.000 2.340 338 A HA 0.774 5.094 4.320 0.000 0.000 0.268 338 A C 0.466 178.076 177.584 0.044 0.000 1.100 338 A CA -0.131 51.965 52.037 0.098 0.000 0.803 338 A CB 0.849 19.950 19.000 0.168 0.000 1.043 338 A HN 0.285 nan 8.150 nan 0.000 0.488 339 T N 0.265 114.828 114.554 0.016 0.000 2.916 339 T HA 0.640 4.990 4.350 0.000 0.000 0.292 339 T C -0.779 173.902 174.700 -0.032 0.000 1.055 339 T CA -0.509 61.591 62.100 -0.000 0.000 1.009 339 T CB 1.638 70.514 68.868 0.014 0.000 1.118 339 T HN 0.601 nan 8.240 nan 0.000 0.497 340 V N 2.168 122.040 119.914 -0.070 0.000 2.686 340 V HA 0.728 4.848 4.120 0.000 0.000 0.306 340 V C -0.773 175.238 176.094 -0.137 0.000 1.065 340 V CA -1.021 61.175 62.300 -0.174 0.000 0.894 340 V CB 1.816 33.434 31.823 -0.342 0.000 1.004 340 V HN 1.007 nan 8.190 nan 0.000 0.424 341 K N 2.295 122.565 120.400 -0.215 0.000 2.543 341 K HA 0.743 5.063 4.320 0.000 0.000 0.255 341 K C 0.138 176.628 176.600 -0.184 0.000 0.934 341 K CA -0.178 55.998 56.287 -0.185 0.000 0.810 341 K CB 2.125 34.414 32.500 -0.352 0.000 1.315 341 K HN 1.354 nan 8.250 nan 0.000 0.433 342 G N 1.968 110.842 108.800 0.123 0.000 2.138 342 G HA2 -0.127 3.833 3.960 0.000 0.000 0.193 342 G HA3 -0.127 3.833 3.960 0.000 0.000 0.193 342 G C -0.004 174.817 174.900 -0.132 0.000 0.998 342 G CA 0.119 45.289 45.100 0.117 0.000 0.668 342 G HN 0.474 nan 8.290 nan 0.000 0.516 343 M N 0.550 120.140 119.600 -0.016 0.000 2.511 343 M HA 0.292 4.772 4.480 0.000 0.000 0.387 343 M C 0.440 176.880 176.300 0.232 0.000 1.112 343 M CA 0.162 55.472 55.300 0.017 0.000 0.921 343 M CB 0.270 32.940 32.600 0.118 0.000 1.501 343 M HN 0.708 nan 8.290 nan 0.000 0.538 344 Q N -0.975 118.967 119.800 0.237 0.000 2.484 344 Q HA 0.785 5.125 4.340 0.000 0.000 0.285 344 Q C -1.173 174.910 176.000 0.139 0.000 1.097 344 Q CA -0.744 55.252 55.803 0.322 0.000 0.802 344 Q CB 2.131 31.024 28.738 0.257 0.000 1.444 344 Q HN -0.014 nan 8.270 nan 0.000 0.429 345 S N 0.603 116.315 115.700 0.020 0.000 2.594 345 S HA 0.200 4.670 4.470 0.000 0.000 0.296 345 S C -0.395 174.125 174.600 -0.134 0.000 1.124 345 S CA -0.747 57.389 58.200 -0.107 0.000 1.011 345 S CB 0.517 63.591 63.200 -0.211 0.000 1.016 345 S HN 0.772 nan 8.310 nan 0.000 0.485 346 Y N 1.294 121.544 120.300 -0.084 0.000 2.483 346 Y HA 0.108 4.658 4.550 0.000 0.000 0.291 346 Y C 1.707 177.556 175.900 -0.084 0.000 1.143 346 Y CA 1.174 59.227 58.100 -0.079 0.000 1.289 346 Y CB -0.798 37.608 38.460 -0.090 0.000 0.983 346 Y HN 0.644 nan 8.280 nan 0.000 0.556 347 G N 1.657 110.072 108.800 -0.642 0.000 2.434 347 G HA2 -0.271 3.689 3.960 0.000 0.000 0.214 347 G HA3 -0.271 3.689 3.960 0.000 0.000 0.214 347 G C 1.462 176.220 174.900 -0.236 0.000 1.202 347 G CA 1.047 45.875 45.100 -0.454 0.000 0.788 347 G HN 0.453 nan 8.290 nan 0.000 0.539 348 L N 0.913 121.980 121.223 -0.260 0.000 2.129 348 L HA -0.085 4.255 4.340 0.000 0.000 0.212 348 L C 2.561 179.337 176.870 -0.158 0.000 1.087 348 L CA 2.161 56.861 54.840 -0.234 0.000 0.757 348 L CB -0.485 41.339 42.059 -0.390 0.000 0.896 348 L HN 0.413 nan 8.230 nan 0.000 0.434 349 E N -0.841 119.289 120.200 -0.116 0.000 2.046 349 E HA -0.197 4.153 4.350 0.000 0.000 0.190 349 E C 2.335 178.918 176.600 -0.030 0.000 0.982 349 E CA 0.962 57.333 56.400 -0.049 0.000 0.800 349 E CB -0.158 29.543 29.700 0.001 0.000 0.756 349 E HN 0.482 nan 8.360 nan 0.000 0.449 350 R N 0.512 121.001 120.500 -0.018 0.000 2.096 350 R HA -0.132 4.208 4.340 0.000 0.000 0.235 350 R C 2.467 178.754 176.300 -0.021 0.000 1.127 350 R CA 0.751 56.849 56.100 -0.004 0.000 0.968 350 R CB -0.241 30.074 30.300 0.026 0.000 0.861 350 R HN 0.099 nan 8.270 nan 0.000 0.440 351 L N 0.375 121.573 121.223 -0.043 0.000 1.994 351 L HA -0.122 4.218 4.340 0.000 0.000 0.208 351 L C 2.238 179.088 176.870 -0.033 0.000 1.071 351 L CA 2.147 56.966 54.840 -0.037 0.000 0.745 351 L CB -0.614 41.413 42.059 -0.053 0.000 0.892 351 L HN 0.135 nan 8.230 nan 0.000 0.431 352 A N -0.429 122.359 122.820 -0.052 0.000 1.908 352 A HA -0.175 4.145 4.320 0.000 0.000 0.218 352 A C 2.447 180.004 177.584 -0.045 0.000 1.181 352 A CA 2.079 54.079 52.037 -0.062 0.000 0.627 352 A CB -1.304 17.649 19.000 -0.077 0.000 0.818 352 A HN 0.626 nan 8.150 nan 0.000 0.445 353 A N -0.484 122.317 122.820 -0.033 0.000 1.865 353 A HA -0.175 4.145 4.320 0.000 0.000 0.217 353 A C 2.305 179.877 177.584 -0.020 0.000 1.191 353 A CA 1.982 54.003 52.037 -0.028 0.000 0.623 353 A CB -0.596 18.388 19.000 -0.027 0.000 0.826 353 A HN 0.537 nan 8.150 nan 0.000 0.444 354 M N -1.061 118.531 119.600 -0.013 0.000 2.086 354 M HA -0.119 4.361 4.480 0.000 0.000 0.261 354 M C 2.353 178.653 176.300 0.001 0.000 1.067 354 M CA 1.684 56.983 55.300 -0.002 0.000 1.116 354 M CB -0.527 32.077 32.600 0.006 0.000 1.348 354 M HN 0.539 nan 8.290 nan 0.000 0.407 355 L N 0.277 121.500 121.223 -0.001 0.000 2.013 355 L HA -0.283 4.057 4.340 0.000 0.000 0.212 355 L C 2.575 179.447 176.870 0.002 0.000 1.073 355 L CA 1.394 56.238 54.840 0.007 0.000 0.753 355 L CB -0.176 41.887 42.059 0.007 0.000 0.890 355 L HN 0.306 nan 8.230 nan 0.000 0.432 356 M N -0.436 119.154 119.600 -0.016 0.000 2.117 356 M HA -0.161 4.319 4.480 0.000 0.000 0.262 356 M C 2.448 178.748 176.300 0.000 0.000 1.065 356 M CA 1.808 57.100 55.300 -0.015 0.000 1.114 356 M CB -1.616 30.968 32.600 -0.026 0.000 1.361 356 M HN 0.438 nan 8.290 nan 0.000 0.408 357 A N -0.093 122.727 122.820 -0.000 0.000 2.186 357 A HA -0.084 4.236 4.320 0.000 0.000 0.219 357 A C 1.508 179.099 177.584 0.012 0.000 1.159 357 A CA 1.780 53.821 52.037 0.006 0.000 0.680 357 A CB -1.092 17.910 19.000 0.004 0.000 0.787 357 A HN 0.595 nan 8.150 nan 0.000 0.467 358 T N -2.683 111.879 114.554 0.014 0.000 3.255 358 T HA 0.539 4.889 4.350 0.000 0.000 0.243 358 T C -0.514 174.200 174.700 0.023 0.000 1.057 358 T CA -0.216 61.895 62.100 0.018 0.000 1.121 358 T CB -0.144 68.735 68.868 0.019 0.000 1.104 358 T HN 0.493 nan 8.240 nan 0.000 0.571 359 V N 0.326 120.254 119.914 0.024 0.000 3.048 359 V HA 0.576 4.696 4.120 0.000 0.000 0.303 359 V C -1.284 174.829 176.094 0.032 0.000 1.214 359 V CA -1.105 61.213 62.300 0.030 0.000 0.984 359 V CB 2.384 34.227 31.823 0.033 0.000 1.054 359 V HN 0.371 nan 8.190 nan 0.000 0.430 360 K N 5.450 125.872 120.400 0.037 0.000 2.079 360 K HA 0.211 4.531 4.320 0.000 0.000 0.255 360 K C 1.136 177.763 176.600 0.044 0.000 1.114 360 K CA 0.176 56.488 56.287 0.042 0.000 1.056 360 K CB 0.013 32.541 32.500 0.048 0.000 1.176 360 K HN 0.593 nan 8.250 nan 0.000 0.353 361 M N 0.552 120.175 119.600 0.039 0.000 2.086 361 M HA -0.158 4.322 4.480 0.000 0.000 0.261 361 M C 1.428 177.751 176.300 0.039 0.000 1.067 361 M CA 1.603 56.925 55.300 0.036 0.000 1.116 361 M CB -0.536 32.086 32.600 0.035 0.000 1.348 361 M HN 0.616 nan 8.290 nan 0.000 0.407 362 E N 0.142 120.370 120.200 0.046 0.000 2.510 362 E HA -0.170 4.180 4.350 0.000 0.000 0.202 362 E C 0.942 177.577 176.600 0.058 0.000 1.072 362 E CA 0.544 56.974 56.400 0.050 0.000 0.883 362 E CB 0.166 29.901 29.700 0.057 0.000 0.818 362 E HN 0.474 nan 8.360 nan 0.000 0.548 363 E N -0.296 119.944 120.200 0.067 0.000 2.810 363 E HA 0.069 4.419 4.350 0.000 0.000 0.214 363 E C 1.302 177.942 176.600 0.068 0.000 0.980 363 E CA -0.178 56.295 56.400 0.121 0.000 1.159 363 E CB 0.351 30.150 29.700 0.165 0.000 1.047 363 E HN 0.247 nan 8.360 nan 0.000 0.484 364 L N -0.075 121.160 121.223 0.020 0.000 2.131 364 L HA -0.023 4.317 4.340 0.000 0.000 0.210 364 L C 2.075 178.932 176.870 -0.022 0.000 1.092 364 L CA 1.672 56.520 54.840 0.013 0.000 0.759 364 L CB -0.145 41.921 42.059 0.011 0.000 0.903 364 L HN 0.309 nan 8.230 nan 0.000 0.435 365 G N -1.697 107.040 108.800 -0.105 0.000 2.448 365 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 365 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 365 G C 1.169 175.971 174.900 -0.164 0.000 1.127 365 G CA 0.419 45.420 45.100 -0.165 0.000 0.766 365 G HN 0.489 nan 8.290 nan 0.000 0.552 366 H N -0.825 118.257 119.070 0.020 0.000 2.547 366 H HA 0.198 4.754 4.556 0.000 0.000 0.266 366 H C 0.895 176.232 175.328 0.015 0.000 0.988 366 H CA -0.253 55.804 56.048 0.014 0.000 1.147 366 H CB 0.135 29.904 29.762 0.012 0.000 1.365 366 H HN 0.228 nan 8.280 nan 0.000 0.589 367 L N 1.118 122.398 121.223 0.096 0.000 2.488 367 L HA 0.158 4.498 4.340 0.000 0.000 0.249 367 L C 1.201 178.102 176.870 0.051 0.000 1.151 367 L CA -0.326 54.556 54.840 0.069 0.000 0.806 367 L CB 0.847 42.940 42.059 0.056 0.000 1.261 367 L HN 0.152 nan 8.230 nan 0.000 0.484 368 T N -2.410 112.169 114.554 0.042 0.000 2.754 368 T HA 0.169 4.519 4.350 0.000 0.000 0.286 368 T C 1.046 175.764 174.700 0.030 0.000 0.997 368 T CA 0.256 62.376 62.100 0.033 0.000 0.982 368 T CB 0.423 69.306 68.868 0.026 0.000 1.027 368 T HN 0.653 nan 8.240 nan 0.000 0.529 369 T N 0.169 114.738 114.554 0.026 0.000 2.639 369 T HA -0.076 4.274 4.350 0.000 0.000 0.261 369 T C 1.788 176.502 174.700 0.025 0.000 1.053 369 T CA 1.349 63.463 62.100 0.023 0.000 1.158 369 T CB -0.542 68.339 68.868 0.022 0.000 0.863 369 T HN 0.827 nan 8.240 nan 0.000 0.413 370 E N 0.839 121.054 120.200 0.024 0.000 2.097 370 E HA -0.240 4.110 4.350 0.000 0.000 0.196 370 E C 2.053 178.681 176.600 0.046 0.000 1.000 370 E CA 1.132 57.547 56.400 0.026 0.000 0.804 370 E CB 0.028 29.735 29.700 0.011 0.000 0.740 370 E HN 0.193 nan 8.360 nan 0.000 0.454 371 K N 0.345 120.772 120.400 0.044 0.000 2.148 371 K HA -0.136 4.184 4.320 0.000 0.000 0.204 371 K C 2.148 178.808 176.600 0.100 0.000 1.050 371 K CA 0.846 57.180 56.287 0.080 0.000 0.942 371 K CB -0.264 32.270 32.500 0.056 0.000 0.724 371 K HN 0.283 nan 8.250 nan 0.000 0.446 372 Q N 0.951 120.783 119.800 0.054 0.000 2.079 372 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 372 Q C 1.779 177.781 176.000 0.005 0.000 0.974 372 Q CA 1.431 57.250 55.803 0.027 0.000 0.840 372 Q CB 0.196 28.941 28.738 0.012 0.000 0.898 372 Q HN 0.345 nan 8.270 nan 0.000 0.430 373 E N -0.454 119.749 120.200 0.006 0.000 2.007 373 E HA -0.247 4.103 4.350 0.000 0.000 0.194 373 E C 1.806 178.378 176.600 -0.047 0.000 0.999 373 E CA 1.315 57.688 56.400 -0.044 0.000 0.811 373 E CB -0.427 29.258 29.700 -0.025 0.000 0.762 373 E HN 0.376 nan 8.360 nan 0.000 0.450 374 Y N 1.598 121.844 120.300 -0.090 0.000 2.132 374 Y HA -0.362 4.188 4.550 0.000 0.000 0.280 374 Y C 2.088 177.941 175.900 -0.077 0.000 1.193 374 Y CA 1.636 59.689 58.100 -0.078 0.000 1.157 374 Y CB -0.513 37.925 38.460 -0.037 0.000 0.966 374 Y HN 0.054 nan 8.280 nan 0.000 0.511 375 A N -0.064 122.722 122.820 -0.057 0.000 1.828 375 A HA -0.178 4.142 4.320 0.000 0.000 0.215 375 A C 2.117 179.596 177.584 -0.175 0.000 1.203 375 A CA 1.957 53.922 52.037 -0.120 0.000 0.614 375 A CB -1.313 17.681 19.000 -0.010 0.000 0.844 375 A HN 0.419 nan 8.150 nan 0.000 0.445 376 L N -0.317 120.825 121.223 -0.135 0.000 2.042 376 L HA -0.153 4.187 4.340 0.000 0.000 0.210 376 L C 2.586 179.311 176.870 -0.243 0.000 1.076 376 L CA 1.935 56.686 54.840 -0.149 0.000 0.749 376 L CB -0.817 41.163 42.059 -0.132 0.000 0.893 376 L HN 0.406 nan 8.230 nan 0.000 0.432 377 R N -0.182 120.108 120.500 -0.349 0.000 2.122 377 R HA -0.237 4.103 4.340 0.000 0.000 0.236 377 R C 2.274 178.374 176.300 -0.333 0.000 1.129 377 R CA 2.395 58.180 56.100 -0.525 0.000 0.925 377 R CB -0.633 29.392 30.300 -0.459 0.000 0.850 377 R HN 0.427 nan 8.270 nan 0.000 0.431 378 L N -1.434 119.591 121.223 -0.330 0.000 2.275 378 L HA 0.130 4.470 4.340 0.000 0.000 0.215 378 L C 2.141 178.926 176.870 -0.141 0.000 1.119 378 L CA 1.803 56.494 54.840 -0.248 0.000 0.790 378 L CB -0.486 41.329 42.059 -0.405 0.000 0.919 378 L HN 0.058 nan 8.230 nan 0.000 0.443 379 A N 0.006 122.745 122.820 -0.135 0.000 1.972 379 A HA -0.134 4.186 4.320 0.000 0.000 0.219 379 A C 2.275 179.880 177.584 0.034 0.000 1.169 379 A CA 2.173 54.183 52.037 -0.044 0.000 0.635 379 A CB -1.144 17.832 19.000 -0.041 0.000 0.810 379 A HN 0.562 nan 8.150 nan 0.000 0.446 380 T N -0.516 114.047 114.554 0.015 0.000 2.851 380 T HA -0.059 4.291 4.350 0.000 0.000 0.262 380 T C 1.880 176.637 174.700 0.095 0.000 1.043 380 T CA 1.397 63.540 62.100 0.070 0.000 1.140 380 T CB -0.336 68.617 68.868 0.141 0.000 0.872 380 T HN 0.181 nan 8.240 nan 0.000 0.446 381 V N 1.362 121.323 119.914 0.078 0.000 2.407 381 V HA -0.052 4.068 4.120 0.000 0.000 0.248 381 V C 2.682 178.806 176.094 0.051 0.000 1.055 381 V CA 1.973 64.313 62.300 0.067 0.000 1.049 381 V CB -1.064 30.780 31.823 0.035 0.000 0.662 381 V HN 0.596 nan 8.190 nan 0.000 0.455 382 G N -2.357 106.466 108.800 0.038 0.000 2.986 382 G HA2 -0.127 3.833 3.960 0.000 0.000 0.213 382 G HA3 -0.127 3.833 3.960 0.000 0.000 0.213 382 G C 1.259 176.197 174.900 0.064 0.000 1.156 382 G CA 0.185 45.302 45.100 0.028 0.000 0.763 382 G HN 0.489 nan 8.290 nan 0.000 0.547 383 Y N 2.647 122.935 120.300 -0.020 0.000 2.102 383 Y HA -0.186 4.364 4.550 0.000 0.000 0.280 383 Y C 0.108 176.000 175.900 -0.013 0.000 1.178 383 Y CA 2.275 60.364 58.100 -0.018 0.000 1.146 383 Y CB -0.874 37.577 38.460 -0.016 0.000 0.968 383 Y HN 0.243 nan 8.280 nan 0.000 0.504 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.436 178.732 177.300 -0.006 0.000 1.193 384 P CA 1.931 65.095 63.100 0.107 0.000 0.929 384 P CB -0.088 31.687 31.700 0.124 0.000 0.772 385 K N -0.593 119.815 120.400 0.013 0.000 2.228 385 K HA -0.073 4.247 4.320 0.000 0.000 0.205 385 K C 0.818 177.399 176.600 -0.031 0.000 1.045 385 K CA 1.289 57.577 56.287 0.001 0.000 0.931 385 K CB -0.516 32.002 32.500 0.031 0.000 0.727 385 K HN 0.230 nan 8.250 nan 0.000 0.458 386 A N -2.450 120.332 122.820 -0.064 0.000 2.601 386 A HA 0.556 4.876 4.320 0.000 0.000 0.291 386 A C -0.215 177.282 177.584 -0.145 0.000 1.075 386 A CA 0.024 52.013 52.037 -0.081 0.000 0.671 386 A CB 1.375 20.350 19.000 -0.042 0.000 1.277 386 A HN 0.174 nan 8.150 nan 0.000 0.417 387 G N -0.779 107.944 108.800 -0.127 0.000 2.327 387 G HA2 0.064 4.024 3.960 0.000 0.000 0.159 387 G HA3 0.064 4.024 3.960 0.000 0.000 0.159 387 G C 0.340 175.111 174.900 -0.215 0.000 1.056 387 G CA 0.230 45.235 45.100 -0.158 0.000 0.751 387 G HN 1.535 nan 8.290 nan 0.000 0.488 388 V N -1.197 118.636 119.914 -0.135 0.000 3.129 388 V HA 0.129 4.249 4.120 0.000 0.000 0.259 388 V C 1.369 177.357 176.094 -0.177 0.000 1.116 388 V CA 1.619 63.824 62.300 -0.158 0.000 1.127 388 V CB -0.327 31.451 31.823 -0.075 0.000 0.742 388 V HN 0.525 nan 8.190 nan 0.000 0.474 389 Y N -0.668 119.582 120.300 -0.082 0.000 2.809 389 Y HA 0.423 4.973 4.550 0.000 0.000 0.251 389 Y C 0.914 176.787 175.900 -0.045 0.000 1.136 389 Y CA -0.482 57.587 58.100 -0.053 0.000 1.185 389 Y CB 0.917 39.354 38.460 -0.038 0.000 1.260 389 Y HN 0.104 nan 8.280 nan 0.000 0.576 390 S N -0.330 115.400 115.700 0.050 0.000 2.554 390 S HA 0.475 4.945 4.470 0.000 0.000 0.278 390 S C 1.084 175.696 174.600 0.020 0.000 1.242 390 S CA -0.121 58.098 58.200 0.031 0.000 1.051 390 S CB 0.877 64.071 63.200 -0.009 0.000 0.986 390 S HN 0.532 nan 8.310 nan 0.000 0.502 391 G N 4.562 113.384 108.800 0.037 0.000 3.263 391 G HA2 0.173 4.133 3.960 0.000 0.000 0.246 391 G HA3 0.173 4.133 3.960 0.000 0.000 0.246 391 G C 0.833 175.754 174.900 0.035 0.000 0.982 391 G CA -0.169 44.954 45.100 0.038 0.000 1.897 391 G HN 0.758 nan 8.290 nan 0.000 0.624 392 L N -0.174 121.068 121.223 0.032 0.000 2.005 392 L HA -0.074 4.266 4.340 0.000 0.000 0.207 392 L C 2.618 179.527 176.870 0.064 0.000 1.072 392 L CA 0.881 55.752 54.840 0.052 0.000 0.744 392 L CB -0.210 41.900 42.059 0.085 0.000 0.895 392 L HN 0.313 nan 8.230 nan 0.000 0.433 393 I N 0.085 120.698 120.570 0.071 0.000 2.335 393 I HA -0.204 3.966 4.170 0.000 0.000 0.251 393 I C 2.539 178.699 176.117 0.071 0.000 1.129 393 I CA 1.491 62.825 61.300 0.057 0.000 1.402 393 I CB -1.235 36.790 38.000 0.040 0.000 1.069 393 I HN 0.200 nan 8.210 nan 0.000 0.424 394 G N 0.510 109.348 108.800 0.064 0.000 2.421 394 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 394 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 394 G C 1.854 176.797 174.900 0.071 0.000 1.171 394 G CA 0.814 45.955 45.100 0.069 0.000 0.775 394 G HN 0.503 nan 8.290 nan 0.000 0.543 395 G N 1.111 109.945 108.800 0.056 0.000 2.440 395 G HA2 0.022 3.982 3.960 0.000 0.000 0.218 395 G HA3 0.022 3.982 3.960 0.000 0.000 0.218 395 G C 2.047 176.984 174.900 0.062 0.000 1.154 395 G CA 1.533 46.660 45.100 0.045 0.000 0.767 395 G HN 0.681 nan 8.290 nan 0.000 0.552 396 A N 0.102 122.974 122.820 0.087 0.000 2.019 396 A HA 0.011 4.331 4.320 0.000 0.000 0.219 396 A C 2.502 180.244 177.584 0.263 0.000 1.164 396 A CA 2.393 54.520 52.037 0.150 0.000 0.644 396 A CB -0.643 18.424 19.000 0.112 0.000 0.805 396 A HN 0.323 nan 8.150 nan 0.000 0.449 397 T N -0.622 114.064 114.554 0.220 0.000 2.809 397 T HA -0.058 4.292 4.350 0.000 0.000 0.260 397 T C 2.284 177.025 174.700 0.068 0.000 1.039 397 T CA 1.404 63.621 62.100 0.195 0.000 1.141 397 T CB -0.297 68.676 68.868 0.175 0.000 0.869 397 T HN 0.452 nan 8.240 nan 0.000 0.437 398 S N 0.970 116.697 115.700 0.046 0.000 2.359 398 S HA -0.122 4.348 4.470 0.000 0.000 0.224 398 S C 2.249 176.822 174.600 -0.045 0.000 1.035 398 S CA 1.169 59.360 58.200 -0.015 0.000 1.018 398 S CB -0.724 62.460 63.200 -0.028 0.000 0.876 398 S HN 0.317 nan 8.310 nan 0.000 0.448 399 V N 1.860 121.765 119.914 -0.015 0.000 2.343 399 V HA -0.126 3.994 4.120 0.000 0.000 0.247 399 V C 2.066 178.148 176.094 -0.019 0.000 1.051 399 V CA 1.854 64.143 62.300 -0.020 0.000 1.036 399 V CB -0.407 31.418 31.823 0.002 0.000 0.654 399 V HN 0.469 nan 8.190 nan 0.000 0.451 400 L N -0.212 120.997 121.223 -0.024 0.000 2.027 400 L HA -0.041 4.299 4.340 0.000 0.000 0.206 400 L C 2.215 179.065 176.870 -0.035 0.000 1.074 400 L CA 2.406 57.194 54.840 -0.086 0.000 0.745 400 L CB -1.001 40.867 42.059 -0.319 0.000 0.898 400 L HN 0.382 nan 8.230 nan 0.000 0.433 401 L N -0.536 120.677 121.223 -0.018 0.000 2.013 401 L HA -0.246 4.094 4.340 0.000 0.000 0.212 401 L C 2.525 179.421 176.870 0.042 0.000 1.073 401 L CA 2.266 57.132 54.840 0.044 0.000 0.753 401 L CB -1.022 41.052 42.059 0.025 0.000 0.890 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 S N -0.353 115.338 115.700 -0.016 0.000 2.359 402 S HA -0.216 4.254 4.470 0.000 0.000 0.224 402 S C 2.099 176.720 174.600 0.034 0.000 1.035 402 S CA 1.242 59.429 58.200 -0.022 0.000 1.018 402 S CB -0.773 62.389 63.200 -0.063 0.000 0.876 402 S HN 0.701 nan 8.310 nan 0.000 0.448 403 A N 1.001 123.853 122.820 0.054 0.000 1.892 403 A HA -0.201 4.119 4.320 0.000 0.000 0.218 403 A C 2.016 179.711 177.584 0.185 0.000 1.188 403 A CA 2.029 54.127 52.037 0.101 0.000 0.631 403 A CB -1.123 17.915 19.000 0.062 0.000 0.822 403 A HN 0.570 nan 8.150 nan 0.000 0.447 404 Y N 1.425 121.732 120.300 0.012 0.000 2.145 404 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 404 Y C 2.118 178.036 175.900 0.029 0.000 1.145 404 Y CA 1.719 59.833 58.100 0.024 0.000 1.148 404 Y CB -1.063 37.399 38.460 0.003 0.000 0.981 404 Y HN 0.497 nan 8.280 nan 0.000 0.507 405 N N -0.278 118.354 118.700 -0.113 0.000 2.205 405 N HA -0.214 4.526 4.740 0.000 0.000 0.186 405 N C 1.962 177.378 175.510 -0.157 0.000 1.015 405 N CA 0.794 53.703 53.050 -0.234 0.000 0.862 405 N CB -0.248 38.159 38.487 -0.133 0.000 0.986 405 N HN 0.273 nan 8.380 nan 0.000 0.429 406 R N 0.312 120.772 120.500 -0.066 0.000 2.276 406 R HA 0.038 4.378 4.340 0.000 0.000 0.203 406 R C -0.163 175.957 176.300 -0.300 0.000 1.017 406 R CA 0.684 56.702 56.100 -0.136 0.000 1.010 406 R CB 0.184 30.438 30.300 -0.076 0.000 0.900 406 R HN 0.337 nan 8.270 nan 0.000 0.469 407 H N -1.583 117.480 119.070 -0.012 0.000 2.908 407 H HA 0.295 4.851 4.556 0.000 0.000 0.350 407 H C -2.346 173.010 175.328 0.048 0.000 1.217 407 H CA -1.760 54.306 56.048 0.030 0.000 1.168 407 H CB 2.220 32.015 29.762 0.054 0.000 1.891 407 H HN -0.107 nan 8.280 nan 0.000 0.566 408 P HA 0.207 nan 4.420 nan 0.000 0.208 408 P C -0.878 176.581 177.300 0.266 0.000 1.863 408 P CA -0.256 62.956 63.100 0.188 0.000 1.037 408 P CB -0.373 31.417 31.700 0.150 0.000 1.881 409 L N 0.286 121.715 121.223 0.344 0.000 3.601 409 L HA -0.229 4.111 4.340 0.000 0.000 0.469 409 L C -0.269 176.776 176.870 0.291 0.000 1.294 409 L CA 0.744 55.759 54.840 0.290 0.000 0.829 409 L CB -2.643 39.556 42.059 0.234 0.000 1.628 409 L HN 0.326 nan 8.230 nan 0.000 0.868 410 F N -0.318 119.669 119.950 0.062 0.000 2.637 410 F HA 0.373 4.900 4.527 0.000 0.000 0.316 410 F C -1.106 174.639 175.800 -0.092 0.000 1.023 410 F CA -0.650 57.338 58.000 -0.020 0.000 1.071 410 F CB 0.878 39.869 39.000 -0.015 0.000 1.319 410 F HN 0.002 nan 8.300 nan 0.000 0.541 411 Q N 6.164 125.448 119.800 -0.860 0.000 2.245 411 Q HA 0.457 4.797 4.340 0.000 0.000 0.256 411 Q C -2.552 172.738 176.000 -1.184 0.000 0.942 411 Q CA -2.103 53.197 55.803 -0.839 0.000 0.896 411 Q CB 1.605 30.098 28.738 -0.407 0.000 1.272 411 Q HN 0.366 nan 8.270 nan 0.000 0.442 412 P HA -0.059 nan 4.420 nan 0.000 0.261 412 P C 0.848 177.905 177.300 -0.405 0.000 1.173 412 P CA 0.322 63.119 63.100 -0.506 0.000 0.760 412 P CB 0.499 32.048 31.700 -0.251 0.000 0.783 413 L N 2.698 123.752 121.223 -0.281 0.000 2.137 413 L HA -0.207 4.133 4.340 0.000 0.000 0.213 413 L C 0.916 177.479 176.870 -0.512 0.000 1.085 413 L CA 1.573 56.226 54.840 -0.312 0.000 0.760 413 L CB -0.287 41.660 42.059 -0.188 0.000 0.893 413 L HN 0.570 nan 8.230 nan 0.000 0.434 414 H N -1.595 117.452 119.070 -0.039 0.000 2.616 414 H HA 0.196 4.752 4.556 0.000 0.000 0.229 414 H C -0.300 175.014 175.328 -0.025 0.000 1.418 414 H CA -0.141 55.896 56.048 -0.019 0.000 1.248 414 H CB 0.631 30.393 29.762 0.001 0.000 1.822 414 H HN -0.028 nan 8.280 nan 0.000 0.522 415 T N -0.528 114.036 114.554 0.017 0.000 2.918 415 T HA 0.147 4.497 4.350 0.000 0.000 0.283 415 T C 1.518 176.230 174.700 0.020 0.000 1.001 415 T CA -0.252 61.850 62.100 0.004 0.000 1.041 415 T CB 1.753 70.585 68.868 -0.061 0.000 1.028 415 T HN 0.175 nan 8.240 nan 0.000 0.511 416 V N 4.866 124.795 119.914 0.024 0.000 2.490 416 V HA -0.053 4.067 4.120 0.000 0.000 0.250 416 V C 2.188 178.291 176.094 0.014 0.000 1.061 416 V CA 2.467 64.783 62.300 0.027 0.000 1.064 416 V CB -0.685 31.154 31.823 0.027 0.000 0.670 416 V HN 0.989 nan 8.190 nan 0.000 0.461 417 M N -0.517 119.085 119.600 0.003 0.000 2.349 417 M HA -0.079 4.401 4.480 0.000 0.000 0.266 417 M C 2.189 178.476 176.300 -0.022 0.000 1.076 417 M CA 1.780 57.075 55.300 -0.007 0.000 1.126 417 M CB -0.179 32.420 32.600 -0.001 0.000 1.392 417 M HN 0.334 nan 8.290 nan 0.000 0.440 418 R N 0.590 121.076 120.500 -0.023 0.000 2.083 418 R HA -0.247 4.093 4.340 0.000 0.000 0.237 418 R C 1.926 178.206 176.300 -0.033 0.000 1.137 418 R CA 2.254 58.352 56.100 -0.004 0.000 0.951 418 R CB -0.359 29.939 30.300 -0.002 0.000 0.851 418 R HN 0.421 nan 8.270 nan 0.000 0.434 419 E N -0.561 119.641 120.200 0.002 0.000 2.160 419 E HA -0.149 4.201 4.350 0.000 0.000 0.195 419 E C 1.486 178.090 176.600 0.007 0.000 0.991 419 E CA 2.214 58.641 56.400 0.044 0.000 0.810 419 E CB -0.262 29.481 29.700 0.070 0.000 0.742 419 E HN 0.421 nan 8.360 nan 0.000 0.466 420 T N 0.574 115.101 114.554 -0.045 0.000 2.643 420 T HA -0.134 4.216 4.350 0.000 0.000 0.264 420 T C 1.676 176.289 174.700 -0.145 0.000 1.045 420 T CA 1.463 63.515 62.100 -0.080 0.000 1.155 420 T CB -0.380 68.459 68.868 -0.049 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.571 121.690 121.223 -0.173 0.000 2.129 421 L HA -0.033 4.307 4.340 0.000 0.000 0.212 421 L C 2.069 178.602 176.870 -0.562 0.000 1.087 421 L CA 1.345 56.058 54.840 -0.212 0.000 0.757 421 L CB -0.962 41.065 42.059 -0.054 0.000 0.896 421 L HN 0.227 nan 8.230 nan 0.000 0.434 422 F N 0.209 119.500 119.950 -1.099 0.000 2.146 422 F HA -0.162 4.365 4.527 0.000 0.000 0.298 422 F C 2.258 177.847 175.800 -0.352 0.000 1.096 422 F CA 1.336 58.642 58.000 -1.157 0.000 1.275 422 F CB -0.311 38.246 39.000 -0.738 0.000 1.008 422 F HN -0.022 nan 8.300 nan 0.000 0.480 423 I N 0.299 120.634 120.570 -0.391 0.000 2.286 423 I HA -0.203 3.967 4.170 0.000 0.000 0.248 423 I C 2.717 178.710 176.117 -0.208 0.000 1.115 423 I CA 1.395 62.508 61.300 -0.311 0.000 1.392 423 I CB -1.373 36.355 38.000 -0.452 0.000 1.065 423 I HN 0.318 nan 8.210 nan 0.000 0.418 424 G N 0.628 109.318 108.800 -0.183 0.000 2.403 424 G HA2 -0.253 3.707 3.960 0.000 0.000 0.216 424 G HA3 -0.253 3.707 3.960 0.000 0.000 0.216 424 G C 1.817 176.659 174.900 -0.096 0.000 1.154 424 G CA 0.924 45.977 45.100 -0.078 0.000 0.784 424 G HN 0.494 nan 8.290 nan 0.000 0.538 425 S N 0.480 116.107 115.700 -0.122 0.000 2.387 425 S HA -0.266 4.204 4.470 0.000 0.000 0.230 425 S C 2.090 176.550 174.600 -0.234 0.000 1.035 425 S CA 1.732 59.848 58.200 -0.140 0.000 1.014 425 S CB -0.832 62.407 63.200 0.066 0.000 0.836 425 S HN 0.516 nan 8.310 nan 0.000 0.466 426 H N 0.474 119.450 119.070 -0.158 0.000 2.289 426 H HA -0.026 4.530 4.556 0.000 0.000 0.296 426 H C 2.495 177.694 175.328 -0.215 0.000 1.091 426 H CA 1.693 57.640 56.048 -0.167 0.000 1.274 426 H CB -0.992 28.683 29.762 -0.146 0.000 1.364 426 H HN 0.403 nan 8.280 nan 0.000 0.490 427 V N 1.189 121.054 119.914 -0.083 0.000 2.913 427 V HA -0.133 3.987 4.120 0.000 0.000 0.260 427 V C 2.224 178.178 176.094 -0.234 0.000 1.098 427 V CA 0.856 63.035 62.300 -0.201 0.000 1.121 427 V CB -0.421 31.360 31.823 -0.069 0.000 0.714 427 V HN 0.134 nan 8.190 nan 0.000 0.487 428 V N -0.743 119.025 119.914 -0.243 0.000 2.426 428 V HA -0.074 4.046 4.120 0.000 0.000 0.242 428 V C 2.235 178.196 176.094 -0.222 0.000 1.036 428 V CA 1.543 63.660 62.300 -0.305 0.000 1.044 428 V CB -0.341 31.087 31.823 -0.659 0.000 0.688 428 V HN 0.516 nan 8.190 nan 0.000 0.462 429 L N 0.359 121.468 121.223 -0.191 0.000 1.989 429 L HA -0.164 4.176 4.340 0.000 0.000 0.211 429 L C 2.618 179.420 176.870 -0.115 0.000 1.071 429 L CA 2.060 56.832 54.840 -0.114 0.000 0.749 429 L CB -0.651 41.364 42.059 -0.073 0.000 0.890 429 L HN 0.147 nan 8.230 nan 0.000 0.431 430 R N -0.833 119.554 120.500 -0.189 0.000 2.119 430 R HA -0.270 4.070 4.340 0.000 0.000 0.246 430 R C 2.266 178.470 176.300 -0.160 0.000 1.146 430 R CA 1.905 57.856 56.100 -0.249 0.000 0.962 430 R CB -0.241 29.724 30.300 -0.557 0.000 0.863 430 R HN 0.440 nan 8.270 nan 0.000 0.442 431 E N 0.538 120.650 120.200 -0.147 0.000 2.031 431 E HA -0.175 4.175 4.350 0.000 0.000 0.193 431 E C 1.939 178.570 176.600 0.051 0.000 0.994 431 E CA 1.380 57.787 56.400 0.011 0.000 0.800 431 E CB -0.317 29.387 29.700 0.007 0.000 0.752 431 E HN 0.285 nan 8.360 nan 0.000 0.447 432 L N 0.339 121.599 121.223 0.062 0.000 2.013 432 L HA -0.221 4.119 4.340 0.000 0.000 0.212 432 L C 2.587 179.583 176.870 0.209 0.000 1.073 432 L CA 1.539 56.505 54.840 0.210 0.000 0.753 432 L CB -0.461 41.653 42.059 0.093 0.000 0.890 432 L HN 0.082 nan 8.230 nan 0.000 0.432 433 R N -0.232 120.298 120.500 0.050 0.000 2.200 433 R HA -0.073 4.267 4.340 0.000 0.000 0.234 433 R C 0.735 177.042 176.300 0.012 0.000 1.127 433 R CA 0.646 56.738 56.100 -0.014 0.000 0.989 433 R CB -0.913 29.361 30.300 -0.042 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.459 434 L N 1.720 122.997 121.223 0.090 0.000 2.475 434 L HA -0.021 4.319 4.340 0.000 0.000 0.250 434 L C 1.517 178.477 176.870 0.149 0.000 1.224 434 L CA 0.653 55.541 54.840 0.080 0.000 0.821 434 L CB 0.191 42.289 42.059 0.065 0.000 1.141 434 L HN 0.229 nan 8.230 nan 0.000 0.494 435 N N -1.179 117.577 118.700 0.092 0.000 2.177 435 N HA 0.037 4.777 4.740 0.000 0.000 0.218 435 N C -0.755 174.816 175.510 0.102 0.000 1.182 435 N CA -0.008 53.116 53.050 0.124 0.000 0.882 435 N CB 0.427 38.932 38.487 0.030 0.000 1.052 435 N HN 0.217 nan 8.380 nan 0.000 0.519 436 V N 2.406 122.336 119.914 0.026 0.000 2.320 436 V HA 0.176 4.296 4.120 0.000 0.000 0.265 436 V C 0.568 176.587 176.094 -0.125 0.000 1.048 436 V CA -0.636 61.641 62.300 -0.038 0.000 0.865 436 V CB 0.233 32.014 31.823 -0.070 0.000 1.043 436 V HN 0.252 nan 8.190 nan 0.000 0.474 437 T N 1.466 115.969 114.554 -0.086 0.000 3.826 437 T HA 0.120 4.470 4.350 0.000 0.000 0.239 437 T C 0.402 175.022 174.700 -0.132 0.000 1.007 437 T CA -0.229 61.785 62.100 -0.143 0.000 1.171 437 T CB -1.027 67.838 68.868 -0.004 0.000 1.153 437 T HN 0.621 nan 8.240 nan 0.000 0.854 438 T N 3.647 118.089 114.554 -0.187 0.000 2.779 438 T HA 0.366 4.716 4.350 0.000 0.000 0.280 438 T C 0.369 174.998 174.700 -0.119 0.000 0.987 438 T CA -0.891 61.117 62.100 -0.154 0.000 0.966 438 T CB 1.281 70.018 68.868 -0.218 0.000 0.933 438 T HN 0.629 nan 8.240 nan 0.000 0.442 439 Q N 0.599 120.362 119.800 -0.061 0.000 2.494 439 Q HA -0.221 4.119 4.340 0.000 0.000 0.266 439 Q C 1.578 177.568 176.000 -0.017 0.000 1.053 439 Q CA 0.593 56.383 55.803 -0.021 0.000 1.029 439 Q CB -1.968 26.761 28.738 -0.015 0.000 1.423 439 Q HN 1.023 nan 8.270 nan 0.000 0.516 440 G N 1.239 110.020 108.800 -0.033 0.000 2.476 440 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 440 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 440 G C -0.949 173.977 174.900 0.044 0.000 1.164 440 G CA 1.401 46.497 45.100 -0.007 0.000 0.768 440 G HN 0.365 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.542 178.886 177.300 0.072 0.000 1.153 441 P CA 1.366 64.504 63.100 0.062 0.000 0.848 441 P CB -0.062 31.673 31.700 0.058 0.000 0.787 442 N N -0.849 117.891 118.700 0.067 0.000 2.244 442 N HA -0.121 4.619 4.740 0.000 0.000 0.183 442 N C 1.549 177.124 175.510 0.107 0.000 1.016 442 N CA 0.690 53.790 53.050 0.084 0.000 0.866 442 N CB -0.718 37.811 38.487 0.071 0.000 0.980 442 N HN 0.031 nan 8.380 nan 0.000 0.430 443 L N -0.479 120.796 121.223 0.088 0.000 2.127 443 L HA 0.202 4.542 4.340 0.000 0.000 0.203 443 L C 2.109 179.063 176.870 0.140 0.000 1.080 443 L CA 1.153 56.055 54.840 0.104 0.000 0.768 443 L CB -0.561 41.526 42.059 0.048 0.000 0.924 443 L HN 0.128 nan 8.230 nan 0.000 0.444 444 A N 0.187 123.075 122.820 0.114 0.000 1.948 444 A HA -0.275 4.045 4.320 0.000 0.000 0.220 444 A C 2.196 179.839 177.584 0.097 0.000 1.177 444 A CA 2.120 54.222 52.037 0.109 0.000 0.636 444 A CB -1.030 18.024 19.000 0.090 0.000 0.815 444 A HN 0.543 nan 8.150 nan 0.000 0.449 445 L N -1.557 119.725 121.223 0.098 0.000 2.012 445 L HA -0.185 4.155 4.340 0.000 0.000 0.210 445 L C 2.262 179.190 176.870 0.098 0.000 1.073 445 L CA 2.567 57.453 54.840 0.077 0.000 0.748 445 L CB -1.101 41.022 42.059 0.106 0.000 0.891 445 L HN 0.502 nan 8.230 nan 0.000 0.431 446 Y N 0.196 120.517 120.300 0.035 0.000 2.102 446 Y HA -0.374 4.176 4.550 0.000 0.000 0.280 446 Y C 2.632 178.538 175.900 0.010 0.000 1.178 446 Y CA 2.380 60.499 58.100 0.032 0.000 1.146 446 Y CB -0.101 38.383 38.460 0.040 0.000 0.968 446 Y HN 0.431 nan 8.280 nan 0.000 0.504 447 Q N -0.621 119.340 119.800 0.268 0.000 2.050 447 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 447 Q C 2.220 178.240 176.000 0.033 0.000 0.980 447 Q CA 1.636 57.535 55.803 0.159 0.000 0.840 447 Q CB -0.493 28.322 28.738 0.128 0.000 0.898 447 Q HN 0.497 nan 8.270 nan 0.000 0.424 448 L N 1.161 122.380 121.223 -0.007 0.000 1.971 448 L HA -0.225 4.115 4.340 0.000 0.000 0.215 448 L C 2.093 178.889 176.870 -0.123 0.000 1.072 448 L CA 1.730 56.517 54.840 -0.088 0.000 0.758 448 L CB -0.686 41.262 42.059 -0.185 0.000 0.889 448 L HN 0.191 nan 8.230 nan 0.000 0.433 449 L N -0.717 120.423 121.223 -0.139 0.000 1.971 449 L HA -0.275 4.065 4.340 0.000 0.000 0.215 449 L C 2.665 179.324 176.870 -0.351 0.000 1.072 449 L CA 1.914 56.579 54.840 -0.292 0.000 0.758 449 L CB -1.245 40.659 42.059 -0.259 0.000 0.889 449 L HN 0.513 nan 8.230 nan 0.000 0.433 450 S N -1.262 114.297 115.700 -0.234 0.000 2.387 450 S HA -0.224 4.246 4.470 0.000 0.000 0.230 450 S C 1.904 176.416 174.600 -0.147 0.000 1.035 450 S CA 1.904 60.007 58.200 -0.162 0.000 1.014 450 S CB -1.077 62.112 63.200 -0.017 0.000 0.836 450 S HN 0.408 nan 8.310 nan 0.000 0.466 451 T N 2.896 117.377 114.554 -0.123 0.000 2.652 451 T HA -0.022 4.328 4.350 0.000 0.000 0.267 451 T C 2.264 176.900 174.700 -0.108 0.000 1.039 451 T CA 1.571 63.603 62.100 -0.113 0.000 1.153 451 T CB -0.919 67.892 68.868 -0.096 0.000 0.863 451 T HN 0.640 nan 8.240 nan 0.000 0.428 452 A N 1.084 123.825 122.820 -0.131 0.000 1.908 452 A HA -0.012 4.308 4.320 0.000 0.000 0.218 452 A C 2.278 179.800 177.584 -0.104 0.000 1.181 452 A CA 1.297 53.276 52.037 -0.097 0.000 0.627 452 A CB -0.935 17.988 19.000 -0.128 0.000 0.818 452 A HN 0.485 nan 8.150 nan 0.000 0.445 453 L N -1.073 120.031 121.223 -0.199 0.000 2.265 453 L HA -0.154 4.186 4.340 0.000 0.000 0.215 453 L C 1.822 178.660 176.870 -0.053 0.000 1.117 453 L CA 0.525 55.293 54.840 -0.120 0.000 0.782 453 L CB -0.345 41.612 42.059 -0.170 0.000 0.914 453 L HN 0.547 nan 8.230 nan 0.000 0.441 454 c N 1.091 119.647 118.600 -0.075 0.000 2.694 454 c HA 0.182 4.752 4.570 0.000 0.000 0.455 454 c C 1.655 175.727 174.090 -0.031 0.000 1.293 454 c CA -0.899 55.395 56.329 -0.058 0.000 1.614 454 c CB -2.314 40.152 42.510 -0.074 0.000 2.015 454 c HN 0.461 nan 8.230 nan 0.000 0.608 455 S N 0.907 116.604 115.700 -0.005 0.000 2.608 455 S HA 0.475 4.945 4.470 0.000 0.000 0.261 455 S C 1.419 175.993 174.600 -0.044 0.000 1.314 455 S CA 0.173 58.372 58.200 -0.001 0.000 0.992 455 S CB 1.110 64.336 63.200 0.044 0.000 0.935 455 S HN 0.796 nan 8.310 nan 0.000 0.564 456 A N 0.519 123.301 122.820 -0.063 0.000 2.024 456 A HA -0.028 4.292 4.320 0.000 0.000 0.220 456 A C 2.024 179.518 177.584 -0.151 0.000 1.164 456 A CA 1.445 53.421 52.037 -0.102 0.000 0.643 456 A CB -0.953 17.983 19.000 -0.107 0.000 0.806 456 A HN 0.835 nan 8.150 nan 0.000 0.451 457 L N -0.301 120.820 121.223 -0.171 0.000 2.072 457 L HA -0.088 4.252 4.340 0.000 0.000 0.205 457 L C 2.339 178.974 176.870 -0.392 0.000 1.079 457 L CA 2.527 57.169 54.840 -0.329 0.000 0.752 457 L CB -0.530 41.309 42.059 -0.366 0.000 0.906 457 L HN 0.553 nan 8.230 nan 0.000 0.436 458 E N 0.203 120.323 120.200 -0.134 0.000 2.001 458 E HA -0.279 4.071 4.350 0.000 0.000 0.195 458 E C 2.245 178.787 176.600 -0.096 0.000 1.002 458 E CA 2.204 58.649 56.400 0.075 0.000 0.819 458 E CB -0.765 29.003 29.700 0.113 0.000 0.769 458 E HN 0.468 nan 8.360 nan 0.000 0.454 459 I N 0.005 120.486 120.570 -0.148 0.000 2.300 459 I HA -0.226 3.944 4.170 0.000 0.000 0.252 459 I C 1.954 177.892 176.117 -0.298 0.000 1.119 459 I CA 1.866 63.005 61.300 -0.268 0.000 1.384 459 I CB -0.456 37.443 38.000 -0.168 0.000 1.062 459 I HN 0.334 nan 8.210 nan 0.000 0.426 460 G N -0.083 108.581 108.800 -0.226 0.000 2.404 460 G HA2 -0.195 3.765 3.960 0.000 0.000 0.214 460 G HA3 -0.195 3.765 3.960 0.000 0.000 0.214 460 G C 1.470 176.247 174.900 -0.206 0.000 1.189 460 G CA 0.308 45.281 45.100 -0.212 0.000 0.789 460 G HN 0.312 nan 8.290 nan 0.000 0.533 461 E N 0.470 120.544 120.200 -0.209 0.000 2.110 461 E HA -0.078 4.272 4.350 0.000 0.000 0.193 461 E C 2.867 179.404 176.600 -0.105 0.000 0.988 461 E CA 0.530 56.851 56.400 -0.132 0.000 0.804 461 E CB -0.552 29.108 29.700 -0.066 0.000 0.745 461 E HN 0.261 nan 8.360 nan 0.000 0.458 462 V N 1.161 120.979 119.914 -0.160 0.000 2.287 462 V HA -0.270 3.850 4.120 0.000 0.000 0.248 462 V C 2.425 178.385 176.094 -0.224 0.000 1.053 462 V CA 1.367 63.537 62.300 -0.216 0.000 1.027 462 V CB -0.456 31.128 31.823 -0.399 0.000 0.646 462 V HN 0.160 nan 8.190 nan 0.000 0.447 463 L N -0.263 120.791 121.223 -0.281 0.000 2.017 463 L HA -0.154 4.186 4.340 0.000 0.000 0.208 463 L C 2.559 179.365 176.870 -0.107 0.000 1.073 463 L CA 2.114 56.833 54.840 -0.201 0.000 0.745 463 L CB -1.059 40.879 42.059 -0.201 0.000 0.894 463 L HN 0.312 nan 8.230 nan 0.000 0.432 464 R N -0.058 120.382 120.500 -0.100 0.000 2.112 464 R HA -0.185 4.155 4.340 0.000 0.000 0.242 464 R C 2.208 178.490 176.300 -0.029 0.000 1.137 464 R CA 2.021 58.085 56.100 -0.059 0.000 0.944 464 R CB -1.303 28.961 30.300 -0.059 0.000 0.857 464 R HN 0.371 nan 8.270 nan 0.000 0.435 465 G N 0.331 109.116 108.800 -0.025 0.000 2.440 465 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 465 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 465 G C 1.531 176.443 174.900 0.020 0.000 1.154 465 G CA 1.008 46.116 45.100 0.014 0.000 0.767 465 G HN 0.317 nan 8.290 nan 0.000 0.552 466 L N 0.646 121.869 121.223 -0.001 0.000 2.012 466 L HA -0.141 4.199 4.340 0.000 0.000 0.210 466 L C 3.452 180.333 176.870 0.018 0.000 1.073 466 L CA 1.273 56.124 54.840 0.018 0.000 0.748 466 L CB -0.455 41.614 42.059 0.017 0.000 0.891 466 L HN 0.326 nan 8.230 nan 0.000 0.431 467 A N -0.141 122.680 122.820 0.002 0.000 1.877 467 A HA -0.160 4.160 4.320 0.000 0.000 0.216 467 A C 2.128 179.718 177.584 0.011 0.000 1.186 467 A CA 1.433 53.473 52.037 0.004 0.000 0.620 467 A CB -0.737 18.258 19.000 -0.008 0.000 0.822 467 A HN 0.395 nan 8.150 nan 0.000 0.443 468 L N -0.844 120.386 121.223 0.012 0.000 2.610 468 L HA 0.108 4.448 4.340 0.000 0.000 0.232 468 L C 1.666 178.553 176.870 0.029 0.000 1.149 468 L CA 0.487 55.338 54.840 0.019 0.000 0.872 468 L CB -0.418 41.653 42.059 0.020 0.000 0.992 468 L HN 0.632 nan 8.230 nan 0.000 0.447 469 G N 0.217 109.037 108.800 0.034 0.000 2.179 469 G HA2 -0.371 3.589 3.960 0.000 0.000 0.257 469 G HA3 -0.371 3.589 3.960 0.000 0.000 0.257 469 G C 0.942 175.876 174.900 0.056 0.000 1.010 469 G CA 0.763 45.888 45.100 0.042 0.000 0.736 469 G HN 0.430 nan 8.290 nan 0.000 0.513 470 T N -3.087 111.513 114.554 0.077 0.000 3.009 470 T HA 0.322 4.672 4.350 0.000 0.000 0.258 470 T C 0.831 175.653 174.700 0.204 0.000 1.063 470 T CA 1.348 63.518 62.100 0.118 0.000 1.139 470 T CB 0.424 69.385 68.868 0.154 0.000 0.890 470 T HN 0.426 nan 8.240 nan 0.000 0.471 471 E N 1.680 121.979 120.200 0.164 0.000 2.166 471 E HA 0.470 4.820 4.350 0.000 0.000 0.275 471 E C 1.092 177.749 176.600 0.096 0.000 0.941 471 E CA -0.217 56.270 56.400 0.146 0.000 0.784 471 E CB 1.832 31.551 29.700 0.031 0.000 1.115 471 E HN 0.233 nan 8.360 nan 0.000 0.399 472 S N 3.118 118.875 115.700 0.094 0.000 2.406 472 S HA 0.108 4.578 4.470 0.000 0.000 0.228 472 S C 1.509 176.153 174.600 0.072 0.000 1.020 472 S CA 0.431 58.668 58.200 0.063 0.000 0.965 472 S CB -0.383 62.840 63.200 0.039 0.000 0.798 472 S HN 1.191 nan 8.310 nan 0.000 0.488 473 G N 0.800 109.653 108.800 0.088 0.000 2.132 473 G HA2 -0.215 3.745 3.960 0.000 0.000 0.228 473 G HA3 -0.215 3.745 3.960 0.000 0.000 0.228 473 G C 0.365 175.381 174.900 0.194 0.000 1.000 473 G CA 0.317 45.513 45.100 0.160 0.000 0.693 473 G HN 0.607 nan 8.290 nan 0.000 0.515 474 L N -0.611 120.666 121.223 0.089 0.000 2.056 474 L HA 0.558 4.898 4.340 0.000 0.000 0.207 474 L C 0.957 177.946 176.870 0.199 0.000 1.078 474 L CA 2.179 57.033 54.840 0.024 0.000 0.749 474 L CB -0.181 41.752 42.059 -0.210 0.000 0.901 474 L HN 0.586 nan 8.230 nan 0.000 0.433 475 F N -1.025 118.935 119.950 0.017 0.000 2.599 475 F HA 0.599 5.126 4.527 0.000 0.000 0.311 475 F C -0.647 175.106 175.800 -0.078 0.000 1.076 475 F CA -0.322 57.760 58.000 0.137 0.000 0.937 475 F CB 1.590 40.608 39.000 0.030 0.000 1.282 475 F HN -0.197 nan 8.300 nan 0.000 0.460 476 S N 4.611 119.295 115.700 -1.693 0.000 2.560 476 S HA 0.370 4.840 4.470 0.000 0.000 0.283 476 S C -2.543 171.205 174.600 -1.420 0.000 1.141 476 S CA -1.011 56.324 58.200 -1.441 0.000 0.902 476 S CB 1.897 64.496 63.200 -1.001 0.000 1.104 476 S HN 0.488 nan 8.310 nan 0.000 0.454 477 P HA 0.015 nan 4.420 nan 0.000 0.226 477 P C 1.252 178.392 177.300 -0.265 0.000 1.146 477 P CA 0.778 63.651 63.100 -0.379 0.000 0.773 477 P CB -0.412 31.172 31.700 -0.192 0.000 0.772 478 c N -1.795 116.595 118.600 -0.350 0.000 2.457 478 c HA -0.074 4.496 4.570 0.000 0.000 0.278 478 c C 2.476 176.510 174.090 -0.094 0.000 1.309 478 c CA 0.269 56.483 56.329 -0.192 0.000 1.735 478 c CB -2.141 40.310 42.510 -0.098 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.967 121.175 120.300 -0.155 0.000 2.446 479 Y HA -0.064 4.486 4.550 0.000 0.000 0.287 479 Y C 1.764 177.638 175.900 -0.043 0.000 1.159 479 Y CA 1.029 59.058 58.100 -0.118 0.000 1.297 479 Y CB -0.729 37.666 38.460 -0.108 0.000 0.974 479 Y HN 0.305 nan 8.280 nan 0.000 0.557 480 L N -1.917 119.377 121.223 0.119 0.000 3.086 480 L HA 0.189 4.529 4.340 0.000 0.000 0.274 480 L C 0.982 177.893 176.870 0.068 0.000 1.184 480 L CA -0.028 54.881 54.840 0.114 0.000 1.002 480 L CB -0.096 42.065 42.059 0.169 0.000 1.383 480 L HN -0.094 nan 8.230 nan 0.000 0.582 481 S N 0.104 115.799 115.700 -0.009 0.000 2.589 481 S HA 0.287 4.757 4.470 0.000 0.000 0.265 481 S C 0.580 175.050 174.600 -0.216 0.000 1.342 481 S CA -0.296 57.850 58.200 -0.089 0.000 1.005 481 S CB 0.524 63.647 63.200 -0.129 0.000 0.909 481 S HN 0.217 nan 8.310 nan 0.000 0.555 482 L N 0.858 121.910 121.223 -0.285 0.000 2.978 482 L HA 0.334 4.674 4.340 0.000 0.000 0.239 482 L C 1.056 177.360 176.870 -0.943 0.000 1.293 482 L CA -0.140 54.356 54.840 -0.572 0.000 1.085 482 L CB -0.271 41.724 42.059 -0.106 0.000 1.432 482 L HN 0.572 nan 8.230 nan 0.000 0.512 483 R N 0.996 121.029 120.500 -0.779 0.000 2.369 483 R HA 0.206 4.546 4.340 0.000 0.000 0.310 483 R C -0.511 175.505 176.300 -0.474 0.000 1.141 483 R CA -0.431 55.377 56.100 -0.486 0.000 1.116 483 R CB 0.215 30.387 30.300 -0.213 0.000 1.135 483 R HN 0.098 nan 8.270 nan 0.000 0.529 484 F N 1.175 121.157 119.950 0.053 0.000 2.713 484 F HA 0.136 4.663 4.527 0.000 0.000 0.294 484 F C 1.412 177.238 175.800 0.044 0.000 1.152 484 F CA -0.490 57.540 58.000 0.049 0.000 1.385 484 F CB 0.193 39.225 39.000 0.054 0.000 0.981 484 F HN 0.414 nan 8.300 nan 0.000 0.514 485 D N 0.855 121.325 120.400 0.117 0.000 2.240 485 D HA -0.030 4.610 4.640 0.000 0.000 0.206 485 D C 0.697 177.043 176.300 0.077 0.000 0.963 485 D CA 0.466 54.521 54.000 0.092 0.000 0.863 485 D CB 0.139 40.972 40.800 0.054 0.000 0.973 485 D HN 0.116 nan 8.370 nan 0.000 0.501 486 L N 1.605 122.873 121.223 0.075 0.000 2.500 486 L HA 0.363 4.703 4.340 0.000 0.000 0.272 486 L C 0.582 177.507 176.870 0.091 0.000 1.149 486 L CA -0.255 54.635 54.840 0.083 0.000 0.897 486 L CB -0.350 41.778 42.059 0.115 0.000 1.178 486 L HN 0.017 nan 8.230 nan 0.000 0.473 487 T N -0.467 114.131 114.554 0.074 0.000 2.807 487 T HA 0.534 4.884 4.350 0.000 0.000 0.277 487 T C 1.049 175.786 174.700 0.061 0.000 1.006 487 T CA -0.672 61.468 62.100 0.066 0.000 1.006 487 T CB 1.370 70.269 68.868 0.052 0.000 1.274 487 T HN 0.480 nan 8.240 nan 0.000 0.569 488 R N 0.815 121.344 120.500 0.050 0.000 2.112 488 R HA -0.139 4.201 4.340 0.000 0.000 0.242 488 R C 1.717 178.037 176.300 0.034 0.000 1.137 488 R CA 2.471 58.597 56.100 0.044 0.000 0.944 488 R CB -1.318 29.001 30.300 0.032 0.000 0.857 488 R HN 0.778 nan 8.270 nan 0.000 0.435 489 D N -0.435 119.981 120.400 0.026 0.000 2.091 489 D HA -0.132 4.508 4.640 0.000 0.000 0.199 489 D C 1.696 178.004 176.300 0.012 0.000 0.980 489 D CA 1.193 55.203 54.000 0.016 0.000 0.831 489 D CB -0.264 40.544 40.800 0.013 0.000 0.987 489 D HN 0.084 nan 8.370 nan 0.000 0.460 490 K N 1.510 121.921 120.400 0.019 0.000 2.074 490 K HA -0.134 4.186 4.320 0.000 0.000 0.209 490 K C 2.221 178.827 176.600 0.010 0.000 1.048 490 K CA 0.927 57.222 56.287 0.014 0.000 0.926 490 K CB -0.726 31.790 32.500 0.026 0.000 0.713 490 K HN 0.081 nan 8.250 nan 0.000 0.444 491 L N 0.021 121.262 121.223 0.031 0.000 2.083 491 L HA -0.111 4.229 4.340 0.000 0.000 0.209 491 L C 2.386 179.252 176.870 -0.006 0.000 1.083 491 L CA 1.016 55.873 54.840 0.030 0.000 0.752 491 L CB -0.272 41.840 42.059 0.087 0.000 0.899 491 L HN 0.224 nan 8.230 nan 0.000 0.433 492 L N -1.179 120.043 121.223 -0.000 0.000 2.265 492 L HA -0.204 4.136 4.340 0.000 0.000 0.215 492 L C 2.455 179.306 176.870 -0.031 0.000 1.117 492 L CA 0.778 55.609 54.840 -0.014 0.000 0.782 492 L CB -0.053 42.002 42.059 -0.006 0.000 0.914 492 L HN 0.264 nan 8.230 nan 0.000 0.441 493 S N -0.651 115.029 115.700 -0.033 0.000 2.357 493 S HA -0.152 4.318 4.470 0.000 0.000 0.221 493 S C 1.745 176.306 174.600 -0.065 0.000 1.031 493 S CA 1.164 59.335 58.200 -0.048 0.000 0.982 493 S CB -0.138 63.034 63.200 -0.046 0.000 0.853 493 S HN 0.273 nan 8.310 nan 0.000 0.458 494 M N 1.741 121.300 119.600 -0.068 0.000 2.374 494 M HA 0.160 4.640 4.480 0.000 0.000 0.264 494 M C 0.899 177.137 176.300 -0.103 0.000 1.067 494 M CA 0.143 55.388 55.300 -0.092 0.000 1.103 494 M CB -0.766 31.775 32.600 -0.100 0.000 1.402 494 M HN 0.225 nan 8.290 nan 0.000 0.444 495 A N 2.098 124.865 122.820 -0.089 0.000 2.561 495 A HA 0.212 4.532 4.320 0.000 0.000 0.234 495 A C -2.027 175.508 177.584 -0.082 0.000 1.055 495 A CA -0.960 51.024 52.037 -0.088 0.000 0.756 495 A CB -0.994 17.967 19.000 -0.064 0.000 0.986 495 A HN 0.216 nan 8.150 nan 0.000 0.505 496 P HA 0.072 nan 4.420 nan 0.000 0.271 496 P C -1.013 176.253 177.300 -0.058 0.000 1.220 496 P CA 0.106 63.161 63.100 -0.075 0.000 0.768 496 P CB 0.664 32.320 31.700 -0.073 0.000 0.848 497 Q N 3.006 122.772 119.800 -0.056 0.000 2.503 497 Q HA 0.304 4.644 4.340 0.000 0.000 0.227 497 Q C -0.284 175.693 176.000 -0.038 0.000 1.109 497 Q CA 0.197 55.973 55.803 -0.045 0.000 0.922 497 Q CB 0.920 29.630 28.738 -0.048 0.000 1.249 497 Q HN 0.539 nan 8.270 nan 0.000 0.530 498 E N 0.024 120.204 120.200 -0.033 0.000 2.352 498 E HA 0.412 4.762 4.350 0.000 0.000 0.280 498 E C -0.350 176.238 176.600 -0.020 0.000 0.930 498 E CA -0.438 55.946 56.400 -0.026 0.000 0.765 498 E CB 1.573 31.257 29.700 -0.027 0.000 1.219 498 E HN 0.470 nan 8.360 nan 0.000 0.434 499 A N 1.207 124.017 122.820 -0.016 0.000 2.167 499 A HA -0.040 4.280 4.320 0.000 0.000 0.214 499 A C 1.508 179.086 177.584 -0.010 0.000 1.151 499 A CA 1.009 53.039 52.037 -0.012 0.000 0.735 499 A CB -0.321 18.673 19.000 -0.011 0.000 0.802 499 A HN 0.549 nan 8.150 nan 0.000 0.467 500 T N -0.224 114.323 114.554 -0.011 0.000 3.118 500 T HA 0.238 4.588 4.350 0.000 0.000 0.260 500 T C -0.028 174.667 174.700 -0.008 0.000 1.139 500 T CA 0.491 62.586 62.100 -0.008 0.000 1.085 500 T CB -0.295 68.568 68.868 -0.008 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.637 122.853 121.223 -0.011 0.000 2.333 501 L HA 0.420 4.760 4.340 0.000 0.000 0.280 501 L C -0.252 176.613 176.870 -0.009 0.000 1.004 501 L CA -0.975 53.858 54.840 -0.010 0.000 0.820 501 L CB 1.442 43.491 42.059 -0.017 0.000 1.247 501 L HN -0.119 nan 8.230 nan 0.000 0.416 502 D N 2.135 122.532 120.400 -0.005 0.000 2.402 502 D HA -0.032 4.608 4.640 0.000 0.000 0.268 502 D C 1.110 177.407 176.300 -0.005 0.000 1.294 502 D CA 0.335 54.333 54.000 -0.003 0.000 0.945 502 D CB 0.872 41.672 40.800 0.000 0.000 1.112 502 D HN 0.392 nan 8.370 nan 0.000 0.517 503 Q N 3.088 122.884 119.800 -0.006 0.000 2.217 503 Q HA -0.266 4.074 4.340 0.000 0.000 0.209 503 Q C 1.733 177.730 176.000 -0.004 0.000 0.988 503 Q CA 1.636 57.435 55.803 -0.008 0.000 0.878 503 Q CB -0.265 28.468 28.738 -0.008 0.000 0.909 503 Q HN 0.695 nan 8.270 nan 0.000 0.424 504 A N 0.741 123.560 122.820 -0.002 0.000 1.872 504 A HA 0.011 4.331 4.320 0.000 0.000 0.214 504 A C 2.360 179.946 177.584 0.003 0.000 1.187 504 A CA 1.614 53.652 52.037 0.001 0.000 0.614 504 A CB -0.680 18.321 19.000 0.002 0.000 0.826 504 A HN 0.368 nan 8.150 nan 0.000 0.442 505 A N -0.296 122.526 122.820 0.003 0.000 1.908 505 A HA -0.049 4.271 4.320 0.000 0.000 0.218 505 A C 2.215 179.801 177.584 0.004 0.000 1.181 505 A CA 1.933 53.974 52.037 0.005 0.000 0.627 505 A CB -1.056 17.947 19.000 0.005 0.000 0.818 505 A HN 0.433 nan 8.150 nan 0.000 0.445 506 V N -0.400 119.513 119.914 -0.002 0.000 2.287 506 V HA -0.262 3.858 4.120 0.000 0.000 0.248 506 V C 2.771 178.865 176.094 -0.001 0.000 1.053 506 V CA 2.380 64.675 62.300 -0.008 0.000 1.027 506 V CB -1.090 30.723 31.823 -0.016 0.000 0.646 506 V HN 0.665 nan 8.190 nan 0.000 0.447 507 S N 0.367 116.069 115.700 0.003 0.000 2.365 507 S HA -0.262 4.208 4.470 0.000 0.000 0.225 507 S C 1.952 176.564 174.600 0.019 0.000 1.039 507 S CA 2.041 60.247 58.200 0.009 0.000 1.033 507 S CB -0.534 62.671 63.200 0.008 0.000 0.887 507 S HN 0.693 nan 8.310 nan 0.000 0.447 508 N N 1.744 120.455 118.700 0.018 0.000 2.104 508 N HA -0.076 4.664 4.740 0.000 0.000 0.190 508 N C 1.966 177.499 175.510 0.038 0.000 1.024 508 N CA 1.380 54.445 53.050 0.025 0.000 0.853 508 N CB -0.901 37.598 38.487 0.021 0.000 1.008 508 N HN 0.529 nan 8.380 nan 0.000 0.424 509 A N 1.251 124.091 122.820 0.033 0.000 1.865 509 A HA -0.109 4.211 4.320 0.000 0.000 0.217 509 A C 2.585 180.215 177.584 0.076 0.000 1.191 509 A CA 1.726 53.789 52.037 0.045 0.000 0.623 509 A CB -0.946 18.060 19.000 0.010 0.000 0.826 509 A HN 0.107 nan 8.150 nan 0.000 0.444 510 V N 0.741 120.686 119.914 0.052 0.000 2.287 510 V HA -0.298 3.822 4.120 0.000 0.000 0.248 510 V C 2.217 178.383 176.094 0.120 0.000 1.053 510 V CA 2.340 64.687 62.300 0.079 0.000 1.027 510 V CB -0.923 30.925 31.823 0.041 0.000 0.646 510 V HN 0.524 nan 8.190 nan 0.000 0.447 511 D N 0.557 121.005 120.400 0.079 0.000 2.097 511 D HA -0.123 4.517 4.640 0.000 0.000 0.195 511 D C 2.225 178.572 176.300 0.079 0.000 0.989 511 D CA 1.815 55.855 54.000 0.067 0.000 0.827 511 D CB -0.417 40.408 40.800 0.041 0.000 0.966 511 D HN 0.492 nan 8.370 nan 0.000 0.456 512 G N 0.576 109.430 108.800 0.089 0.000 2.459 512 G HA2 -0.302 3.658 3.960 0.000 0.000 0.217 512 G HA3 -0.302 3.658 3.960 0.000 0.000 0.217 512 G C 1.505 176.484 174.900 0.132 0.000 1.183 512 G CA 0.435 45.589 45.100 0.089 0.000 0.776 512 G HN 0.192 nan 8.290 nan 0.000 0.552 513 F N 0.965 120.935 119.950 0.033 0.000 2.065 513 F HA -0.083 4.444 4.527 0.000 0.000 0.298 513 F C 2.413 178.253 175.800 0.066 0.000 1.112 513 F CA 1.534 59.573 58.000 0.065 0.000 1.212 513 F CB -0.556 38.472 39.000 0.047 0.000 0.975 513 F HN 0.111 nan 8.300 nan 0.000 0.476 514 L N 0.456 121.747 121.223 0.113 0.000 2.081 514 L HA -0.085 4.255 4.340 0.000 0.000 0.212 514 L C 2.416 179.252 176.870 -0.057 0.000 1.080 514 L CA 2.206 57.053 54.840 0.012 0.000 0.754 514 L CB -1.475 40.624 42.059 0.067 0.000 0.893 514 L HN 0.235 nan 8.230 nan 0.000 0.433 515 G N -1.073 107.705 108.800 -0.037 0.000 2.434 515 G HA2 -0.317 3.643 3.960 0.000 0.000 0.214 515 G HA3 -0.317 3.643 3.960 0.000 0.000 0.214 515 G C 1.750 176.577 174.900 -0.122 0.000 1.202 515 G CA 0.674 45.739 45.100 -0.060 0.000 0.788 515 G HN 0.412 nan 8.290 nan 0.000 0.539 516 R N -0.151 120.254 120.500 -0.159 0.000 2.193 516 R HA 0.129 4.469 4.340 0.000 0.000 0.229 516 R C 2.403 178.466 176.300 -0.395 0.000 1.110 516 R CA 0.777 56.716 56.100 -0.268 0.000 0.988 516 R CB -0.305 29.832 30.300 -0.272 0.000 0.871 516 R HN 0.418 nan 8.270 nan 0.000 0.458 517 L N 0.251 121.270 121.223 -0.339 0.000 2.109 517 L HA -0.098 4.242 4.340 0.000 0.000 0.207 517 L C 2.082 178.861 176.870 -0.151 0.000 1.086 517 L CA 1.575 56.249 54.840 -0.276 0.000 0.760 517 L CB -0.151 41.726 42.059 -0.302 0.000 0.910 517 L HN 0.345 nan 8.230 nan 0.000 0.437 518 S N -1.267 114.362 115.700 -0.117 0.000 2.522 518 S HA -0.021 4.449 4.470 0.000 0.000 0.227 518 S C 1.646 176.200 174.600 -0.077 0.000 0.986 518 S CA 0.343 58.506 58.200 -0.062 0.000 0.929 518 S CB -0.111 63.064 63.200 -0.042 0.000 0.769 518 S HN 0.432 nan 8.310 nan 0.000 0.529 519 L N -0.045 121.102 121.223 -0.126 0.000 2.362 519 L HA 0.317 4.657 4.340 0.000 0.000 0.204 519 L C 2.781 179.567 176.870 -0.139 0.000 1.060 519 L CA 0.773 55.539 54.840 -0.124 0.000 0.827 519 L CB -0.325 41.651 42.059 -0.139 0.000 1.027 519 L HN 0.253 nan 8.230 nan 0.000 0.474 520 E N 0.874 120.944 120.200 -0.216 0.000 2.106 520 E HA -0.110 4.240 4.350 0.000 0.000 0.192 520 E C 1.057 177.594 176.600 -0.104 0.000 0.984 520 E CA 0.721 56.992 56.400 -0.215 0.000 0.806 520 E CB 0.240 29.660 29.700 -0.467 0.000 0.750 520 E HN 0.084 nan 8.360 nan 0.000 0.458 521 R N 0.625 121.081 120.500 -0.073 0.000 2.294 521 R HA 0.231 4.571 4.340 0.000 0.000 0.319 521 R C -0.735 175.573 176.300 0.013 0.000 0.984 521 R CA -0.353 55.754 56.100 0.012 0.000 0.861 521 R CB 0.882 31.227 30.300 0.075 0.000 1.104 521 R HN -0.039 nan 8.270 nan 0.000 0.451 522 E N 1.630 121.840 120.200 0.017 0.000 2.283 522 E HA 0.006 4.356 4.350 0.000 0.000 0.271 522 E C -0.244 176.371 176.600 0.024 0.000 1.031 522 E CA -0.430 55.968 56.400 -0.005 0.000 0.868 522 E CB 1.370 31.046 29.700 -0.040 0.000 1.094 522 E HN 0.539 nan 8.360 nan 0.000 0.401 523 D N 1.473 121.877 120.400 0.006 0.000 2.363 523 D HA -0.048 4.592 4.640 0.000 0.000 0.226 523 D C 1.029 177.357 176.300 0.046 0.000 1.020 523 D CA 0.521 54.529 54.000 0.013 0.000 0.892 523 D CB 0.243 41.051 40.800 0.014 0.000 0.900 523 D HN 0.473 nan 8.370 nan 0.000 0.531 524 R N -1.158 119.346 120.500 0.007 0.000 2.476 524 R HA 0.206 4.546 4.340 0.000 0.000 0.276 524 R C 0.711 176.988 176.300 -0.039 0.000 0.941 524 R CA -0.186 55.916 56.100 0.003 0.000 1.088 524 R CB 0.024 30.118 30.300 -0.344 0.000 1.216 524 R HN -0.222 nan 8.270 nan 0.000 0.533 525 D N 2.170 122.562 120.400 -0.012 0.000 2.228 525 D HA -0.095 4.545 4.640 0.000 0.000 0.203 525 D C 0.459 176.753 176.300 -0.010 0.000 0.988 525 D CA 1.636 55.634 54.000 -0.003 0.000 0.864 525 D CB 0.183 41.028 40.800 0.075 0.000 0.928 525 D HN 0.480 nan 8.370 nan 0.000 0.469 526 A N -0.934 121.877 122.820 -0.015 0.000 3.249 526 A HA 0.264 4.584 4.320 0.000 0.000 0.297 526 A C 0.139 177.498 177.584 -0.375 0.000 1.302 526 A CA -0.560 51.430 52.037 -0.077 0.000 1.074 526 A CB -0.609 18.438 19.000 0.079 0.000 1.132 526 A HN 0.208 nan 8.150 nan 0.000 0.575 527 W N -1.067 119.894 121.300 -0.565 0.000 2.915 527 W HA 0.163 4.823 4.660 0.000 0.000 0.276 527 W C 1.540 177.879 176.519 -0.300 0.000 1.215 527 W CA 0.550 57.561 57.345 -0.557 0.000 1.514 527 W CB 0.274 29.426 29.460 -0.513 0.000 1.017 527 W HN 0.690 nan 8.180 nan 0.000 0.598 528 H N -0.622 118.510 119.070 0.104 0.000 2.548 528 H HA 0.111 4.667 4.556 0.000 0.000 0.268 528 H C 0.320 175.682 175.328 0.056 0.000 0.975 528 H CA 0.491 56.586 56.048 0.079 0.000 1.195 528 H CB -0.270 29.531 29.762 0.066 0.000 1.397 528 H HN -0.179 nan 8.280 nan 0.000 0.572 529 L N 2.655 123.952 121.223 0.124 0.000 2.361 529 L HA 0.124 4.464 4.340 0.000 0.000 0.278 529 L C -1.105 175.826 176.870 0.101 0.000 1.113 529 L CA -1.494 53.416 54.840 0.116 0.000 0.849 529 L CB 1.077 43.214 42.059 0.130 0.000 1.155 529 L HN -0.065 nan 8.230 nan 0.000 0.452 530 P HA -0.169 nan 4.420 nan 0.000 0.216 530 P C 1.233 178.562 177.300 0.049 0.000 1.153 530 P CA 1.638 64.774 63.100 0.061 0.000 0.858 530 P CB 0.313 32.043 31.700 0.050 0.000 0.789 531 A N -1.947 120.905 122.820 0.054 0.000 2.067 531 A HA -0.201 4.119 4.320 0.000 0.000 0.219 531 A C 2.112 179.709 177.584 0.021 0.000 1.158 531 A CA 0.913 52.966 52.037 0.026 0.000 0.661 531 A CB -1.786 17.227 19.000 0.023 0.000 0.801 531 A HN 0.132 nan 8.150 nan 0.000 0.452 532 Y N 1.470 121.727 120.300 -0.072 0.000 2.102 532 Y HA -0.319 4.231 4.550 0.000 0.000 0.280 532 Y C 1.950 177.749 175.900 -0.169 0.000 1.178 532 Y CA 2.476 60.499 58.100 -0.128 0.000 1.146 532 Y CB -0.258 38.086 38.460 -0.194 0.000 0.968 532 Y HN 0.367 nan 8.280 nan 0.000 0.504 533 K N -1.137 119.230 120.400 -0.056 0.000 2.520 533 K HA -0.132 4.188 4.320 0.000 0.000 0.197 533 K C 1.337 177.842 176.600 -0.159 0.000 1.043 533 K CA 0.942 57.153 56.287 -0.128 0.000 0.944 533 K CB -0.473 31.983 32.500 -0.073 0.000 0.770 533 K HN 0.323 nan 8.250 nan 0.000 0.480 534 c N 0.620 119.122 118.600 -0.164 0.000 2.855 534 c HA 0.192 4.762 4.570 0.000 0.000 0.279 534 c C 0.405 174.393 174.090 -0.169 0.000 1.270 534 c CA -0.729 55.516 56.329 -0.140 0.000 1.702 534 c CB -0.601 41.850 42.510 -0.098 0.000 1.949 534 c HN 0.016 nan 8.230 nan 0.000 0.618 535 V N 1.988 121.749 119.914 -0.255 0.000 2.328 535 V HA 0.241 4.361 4.120 0.000 0.000 0.278 535 V C 0.214 176.172 176.094 -0.226 0.000 1.021 535 V CA -0.030 62.126 62.300 -0.241 0.000 0.838 535 V CB 1.088 32.731 31.823 -0.299 0.000 0.999 535 V HN 0.239 nan 8.190 nan 0.000 0.447 536 D N 3.095 123.402 120.400 -0.156 0.000 2.087 536 D HA -0.027 4.613 4.640 0.000 0.000 0.203 536 D C 1.186 177.416 176.300 -0.118 0.000 0.976 536 D CA 1.298 55.223 54.000 -0.126 0.000 0.865 536 D CB 0.107 40.849 40.800 -0.096 0.000 1.005 536 D HN 0.407 nan 8.370 nan 0.000 0.449 537 R N 1.936 122.380 120.500 -0.094 0.000 3.268 537 R HA 0.144 4.484 4.340 0.000 0.000 0.217 537 R C 1.284 177.533 176.300 -0.085 0.000 1.568 537 R CA -0.093 55.964 56.100 -0.073 0.000 1.322 537 R CB -0.191 30.082 30.300 -0.045 0.000 1.280 537 R HN 0.323 nan 8.270 nan 0.000 0.667 538 L N -0.659 120.489 121.223 -0.125 0.000 2.362 538 L HA -0.064 4.276 4.340 0.000 0.000 0.219 538 L C 1.416 178.224 176.870 -0.104 0.000 1.134 538 L CA 1.118 55.864 54.840 -0.156 0.000 0.807 538 L CB -0.293 41.614 42.059 -0.253 0.000 0.927 538 L HN 0.292 nan 8.230 nan 0.000 0.447 539 D N 0.736 121.096 120.400 -0.067 0.000 2.269 539 D HA -0.189 4.451 4.640 0.000 0.000 0.208 539 D C 1.015 177.309 176.300 -0.010 0.000 0.963 539 D CA 0.853 54.828 54.000 -0.040 0.000 0.864 539 D CB -0.196 40.589 40.800 -0.025 0.000 0.936 539 D HN 0.529 nan 8.370 nan 0.000 0.505 540 K N 0.980 121.379 120.400 -0.002 0.000 2.577 540 K HA 0.231 4.551 4.320 0.000 0.000 0.210 540 K C -0.280 176.350 176.600 0.050 0.000 1.048 540 K CA -0.203 56.102 56.287 0.029 0.000 1.188 540 K CB 1.535 34.057 32.500 0.036 0.000 0.910 540 K HN 0.004 nan 8.250 nan 0.000 0.483 541 V N 2.406 122.346 119.914 0.044 0.000 2.364 541 V HA 0.106 4.226 4.120 0.000 0.000 0.272 541 V C 1.432 177.626 176.094 0.168 0.000 1.036 541 V CA -0.212 62.141 62.300 0.088 0.000 0.880 541 V CB 1.096 32.950 31.823 0.052 0.000 0.991 541 V HN 0.290 nan 8.190 nan 0.000 0.460 542 L N 4.515 125.835 121.223 0.161 0.000 2.049 542 L HA 0.203 4.543 4.340 0.000 0.000 0.203 542 L C 0.764 177.761 176.870 0.212 0.000 1.074 542 L CA 1.358 56.295 54.840 0.162 0.000 0.749 542 L CB -0.073 42.043 42.059 0.095 0.000 0.907 542 L HN 0.737 nan 8.230 nan 0.000 0.439 543 M N -0.154 119.562 119.600 0.194 0.000 2.449 543 M HA 0.443 4.923 4.480 0.000 0.000 0.291 543 M C -1.769 174.635 176.300 0.174 0.000 1.148 543 M CA -0.730 54.662 55.300 0.153 0.000 0.925 543 M CB 2.370 34.983 32.600 0.022 0.000 1.767 543 M HN 0.023 nan 8.290 nan 0.000 0.503 544 I N 1.102 121.787 120.570 0.192 0.000 2.441 544 I HA 0.646 4.816 4.170 0.000 0.000 0.295 544 I C -1.204 174.994 176.117 0.136 0.000 0.994 544 I CA -0.955 60.460 61.300 0.191 0.000 1.144 544 I CB 1.724 39.869 38.000 0.241 0.000 1.314 544 I HN 0.757 nan 8.210 nan 0.000 0.445 545 I N 6.282 126.949 120.570 0.162 0.000 2.428 545 I HA 0.365 4.535 4.170 0.000 0.000 0.279 545 I C -2.446 173.751 176.117 0.133 0.000 1.040 545 I CA -1.878 59.500 61.300 0.131 0.000 1.171 545 I CB 1.185 39.280 38.000 0.160 0.000 1.312 545 I HN 0.297 nan 8.210 nan 0.000 0.470 546 P HA 0.157 nan 4.420 nan 0.000 0.269 546 P C -0.525 176.768 177.300 -0.012 0.000 1.252 546 P CA -0.064 63.061 63.100 0.041 0.000 0.780 546 P CB 0.631 32.351 31.700 0.034 0.000 0.829 547 L N 3.702 124.960 121.223 0.058 0.000 2.492 547 L HA 0.392 4.732 4.340 0.000 0.000 0.263 547 L C 1.751 178.680 176.870 0.099 0.000 1.062 547 L CA -0.547 54.344 54.840 0.085 0.000 0.817 547 L CB 0.141 42.346 42.059 0.244 0.000 1.441 547 L HN 0.263 nan 8.230 nan 0.000 0.493 548 I N 0.134 120.808 120.570 0.174 0.000 2.072 548 I HA -0.215 3.955 4.170 0.000 0.000 0.235 548 I C 1.290 177.481 176.117 0.123 0.000 1.058 548 I CA 1.290 62.688 61.300 0.163 0.000 1.320 548 I CB -0.234 37.893 38.000 0.211 0.000 1.047 548 I HN 0.613 nan 8.210 nan 0.000 0.397 549 N N 0.085 118.865 118.700 0.133 0.000 2.299 549 N HA 0.104 4.844 4.740 0.000 0.000 0.187 549 N C -0.066 175.476 175.510 0.053 0.000 1.099 549 N CA 0.394 53.500 53.050 0.093 0.000 0.867 549 N CB 1.035 39.584 38.487 0.104 0.000 0.974 549 N HN 0.307 nan 8.380 nan 0.000 0.477 550 V N -3.036 116.906 119.914 0.046 0.000 3.112 550 V HA 0.741 4.861 4.120 0.000 0.000 0.310 550 V C -0.948 175.122 176.094 -0.039 0.000 1.364 550 V CA -0.840 61.433 62.300 -0.044 0.000 1.058 550 V CB 1.615 33.343 31.823 -0.158 0.000 1.079 550 V HN 0.063 nan 8.190 nan 0.000 0.463 551 T N -1.242 113.230 114.554 -0.137 0.000 3.143 551 T HA 0.676 5.026 4.350 0.000 0.000 0.312 551 T C -1.166 173.458 174.700 -0.127 0.000 0.986 551 T CA -0.050 62.023 62.100 -0.044 0.000 1.024 551 T CB 0.682 69.556 68.868 0.011 0.000 1.030 551 T HN 0.619 nan 8.240 nan 0.000 0.448 552 F N 2.273 122.260 119.950 0.062 0.000 2.384 552 F HA 0.605 5.132 4.527 0.000 0.000 0.338 552 F C 0.619 176.463 175.800 0.073 0.000 1.103 552 F CA -1.106 56.936 58.000 0.070 0.000 1.157 552 F CB 1.040 40.082 39.000 0.070 0.000 1.167 552 F HN 0.479 nan 8.300 nan 0.000 0.529 553 I N 5.227 125.944 120.570 0.245 0.000 2.437 553 I HA 0.253 4.423 4.170 0.000 0.000 0.279 553 I C -0.968 175.262 176.117 0.190 0.000 1.028 553 I CA -0.569 60.837 61.300 0.176 0.000 1.142 553 I CB 0.985 39.041 38.000 0.093 0.000 1.266 553 I HN 0.317 nan 8.210 nan 0.000 0.461 554 I N 6.248 126.926 120.570 0.179 0.000 2.352 554 I HA 0.280 4.450 4.170 0.000 0.000 0.290 554 I C 0.553 176.753 176.117 0.139 0.000 1.036 554 I CA 0.655 62.046 61.300 0.151 0.000 1.336 554 I CB 1.009 39.073 38.000 0.107 0.000 1.407 554 I HN 0.627 nan 8.210 nan 0.000 0.497 555 S N 2.491 118.283 115.700 0.154 0.000 2.656 555 S HA 0.490 4.960 4.470 0.000 0.000 0.273 555 S C 0.072 174.785 174.600 0.188 0.000 1.168 555 S CA -0.273 58.014 58.200 0.146 0.000 0.817 555 S CB 1.381 64.656 63.200 0.125 0.000 1.146 555 S HN 0.470 nan 8.310 nan 0.000 0.475 556 S N -0.123 115.673 115.700 0.160 0.000 2.583 556 S HA 0.318 4.788 4.470 0.000 0.000 0.239 556 S C -0.347 174.442 174.600 0.314 0.000 0.966 556 S CA -0.317 57.983 58.200 0.167 0.000 0.973 556 S CB -0.959 62.282 63.200 0.069 0.000 0.794 556 S HN 0.852 nan 8.310 nan 0.000 0.463 557 D N 0.711 121.323 120.400 0.354 0.000 2.934 557 D HA 0.167 4.807 4.640 0.000 0.000 0.230 557 D C 0.084 176.317 176.300 -0.112 0.000 1.204 557 D CA -0.850 53.251 54.000 0.168 0.000 0.873 557 D CB 1.274 42.103 40.800 0.047 0.000 1.645 557 D HN 0.299 nan 8.370 nan 0.000 0.502 558 R N 0.686 120.890 120.500 -0.494 0.000 2.555 558 R HA 0.167 4.507 4.340 0.000 0.000 0.272 558 R C 0.004 176.103 176.300 -0.336 0.000 1.089 558 R CA -0.307 55.351 56.100 -0.738 0.000 1.126 558 R CB 0.069 29.758 30.300 -1.018 0.000 1.250 558 R HN 0.232 nan 8.270 nan 0.000 0.551 559 E N 0.903 120.981 120.200 -0.203 0.000 2.318 559 E HA 0.029 4.379 4.350 0.000 0.000 0.193 559 E C 0.536 177.061 176.600 -0.125 0.000 0.998 559 E CA 0.227 56.544 56.400 -0.139 0.000 0.859 559 E CB 0.211 29.851 29.700 -0.099 0.000 0.812 559 E HN 0.133 nan 8.360 nan 0.000 0.492 560 V N 3.480 123.323 119.914 -0.118 0.000 2.720 560 V HA -0.129 3.991 4.120 0.000 0.000 0.307 560 V C 1.098 177.132 176.094 -0.101 0.000 1.071 560 V CA 0.584 62.824 62.300 -0.100 0.000 1.199 560 V CB -0.057 31.725 31.823 -0.068 0.000 0.900 560 V HN 0.253 nan 8.190 nan 0.000 0.494 561 R N 3.514 123.958 120.500 -0.094 0.000 4.306 561 R HA 0.456 4.796 4.340 0.000 0.000 0.266 561 R C 0.675 176.929 176.300 -0.076 0.000 1.624 561 R CA 0.016 56.065 56.100 -0.086 0.000 1.487 561 R CB 0.089 30.341 30.300 -0.080 0.000 1.441 561 R HN 0.694 nan 8.270 nan 0.000 0.750 562 G N 0.456 109.211 108.800 -0.075 0.000 3.152 562 G HA2 -0.009 3.951 3.960 0.000 0.000 0.157 562 G HA3 -0.009 3.951 3.960 0.000 0.000 0.157 562 G C 0.442 175.300 174.900 -0.069 0.000 1.786 562 G CA -0.234 44.823 45.100 -0.072 0.000 1.055 562 G HN 0.313 nan 8.290 nan 0.000 0.528 563 S N -0.702 114.956 115.700 -0.070 0.000 2.564 563 S HA 0.614 5.084 4.470 0.000 0.000 0.231 563 S C 0.523 175.082 174.600 -0.069 0.000 1.067 563 S CA 0.487 58.650 58.200 -0.062 0.000 0.908 563 S CB 0.697 63.864 63.200 -0.055 0.000 0.809 563 S HN 0.991 nan 8.310 nan 0.000 0.491 564 A N 0.688 123.462 122.820 -0.077 0.000 2.602 564 A HA 0.787 5.107 4.320 0.000 0.000 0.290 564 A C -2.233 175.272 177.584 -0.132 0.000 1.114 564 A CA -0.556 51.403 52.037 -0.131 0.000 0.683 564 A CB 1.040 19.931 19.000 -0.182 0.000 1.281 564 A HN 0.182 nan 8.150 nan 0.000 0.416 565 L N 0.556 121.655 121.223 -0.206 0.000 2.356 565 L HA 0.774 5.114 4.340 0.000 0.000 0.277 565 L C -1.820 174.958 176.870 -0.154 0.000 0.996 565 L CA -0.250 54.515 54.840 -0.125 0.000 0.822 565 L CB 1.200 43.170 42.059 -0.148 0.000 1.256 565 L HN 0.634 nan 8.230 nan 0.000 0.413 566 Y N 2.679 123.072 120.300 0.154 0.000 2.468 566 Y HA 0.654 5.204 4.550 0.000 0.000 0.342 566 Y C -0.275 175.767 175.900 0.236 0.000 1.021 566 Y CA -0.627 57.571 58.100 0.163 0.000 1.079 566 Y CB 1.968 40.512 38.460 0.141 0.000 1.226 566 Y HN 0.597 nan 8.280 nan 0.000 0.460 567 E N 1.628 122.031 120.200 0.339 0.000 2.278 567 E HA 0.720 5.070 4.350 0.000 0.000 0.272 567 E C -1.453 175.163 176.600 0.026 0.000 0.890 567 E CA -0.833 55.649 56.400 0.136 0.000 0.770 567 E CB 1.326 31.111 29.700 0.141 0.000 1.212 567 E HN 0.783 nan 8.360 nan 0.000 0.415 568 A N 2.248 125.001 122.820 -0.111 0.000 2.346 568 A HA 0.230 4.550 4.320 0.000 0.000 0.252 568 A C 1.060 178.604 177.584 -0.067 0.000 1.089 568 A CA 0.373 52.335 52.037 -0.125 0.000 0.797 568 A CB 0.468 19.220 19.000 -0.412 0.000 1.047 568 A HN 0.806 nan 8.150 nan 0.000 0.494 569 S N 0.013 115.714 115.700 0.001 0.000 2.453 569 S HA -0.029 4.441 4.470 0.000 0.000 0.231 569 S C 1.063 175.705 174.600 0.069 0.000 1.005 569 S CA 1.049 59.264 58.200 0.026 0.000 0.949 569 S CB -0.635 62.577 63.200 0.019 0.000 0.774 569 S HN 0.931 nan 8.310 nan 0.000 0.510 570 T N 2.772 117.397 114.554 0.119 0.000 2.901 570 T HA 0.330 4.680 4.350 0.000 0.000 0.301 570 T C 0.849 175.591 174.700 0.070 0.000 1.012 570 T CA 0.580 62.798 62.100 0.196 0.000 1.135 570 T CB 0.693 69.746 68.868 0.307 0.000 0.936 570 T HN 0.473 nan 8.240 nan 0.000 0.539 571 T N 1.983 116.588 114.554 0.086 0.000 3.144 571 T HA 0.181 4.531 4.350 0.000 0.000 0.290 571 T C 1.182 175.868 174.700 -0.023 0.000 0.966 571 T CA -0.367 61.721 62.100 -0.020 0.000 0.907 571 T CB -0.475 68.352 68.868 -0.068 0.000 1.152 571 T HN 0.621 nan 8.240 nan 0.000 0.532 572 Y N 1.982 122.284 120.300 0.002 0.000 2.207 572 Y HA 0.125 4.675 4.550 0.000 0.000 0.287 572 Y C 1.132 177.024 175.900 -0.013 0.000 1.156 572 Y CA 0.498 58.600 58.100 0.004 0.000 1.182 572 Y CB -0.529 37.943 38.460 0.019 0.000 0.979 572 Y HN 0.217 nan 8.280 nan 0.000 0.521 573 L N -0.849 120.453 121.223 0.131 0.000 2.473 573 L HA -0.056 4.285 4.340 0.000 0.000 0.265 573 L C 1.681 178.561 176.870 0.017 0.000 1.243 573 L CA 0.547 55.419 54.840 0.054 0.000 0.822 573 L CB -0.013 42.054 42.059 0.013 0.000 1.101 573 L HN -0.083 nan 8.230 nan 0.000 0.507 574 S N -1.015 114.691 115.700 0.010 0.000 2.351 574 S HA -0.119 4.351 4.470 0.000 0.000 0.220 574 S C 0.916 175.510 174.600 -0.010 0.000 1.035 574 S CA 1.519 59.720 58.200 0.002 0.000 1.031 574 S CB -0.170 63.035 63.200 0.007 0.000 0.928 574 S HN 0.675 nan 8.310 nan 0.000 0.433 575 S N 0.203 115.893 115.700 -0.017 0.000 2.667 575 S HA 0.566 5.036 4.470 0.000 0.000 0.292 575 S C 0.209 174.752 174.600 -0.095 0.000 1.108 575 S CA -0.811 57.371 58.200 -0.030 0.000 0.992 575 S CB 1.182 64.383 63.200 0.001 0.000 1.269 575 S HN 0.299 nan 8.310 nan 0.000 0.528 576 S N 0.540 116.134 115.700 -0.176 0.000 2.713 576 S HA 0.568 5.038 4.470 0.000 0.000 0.283 576 S C -1.021 173.288 174.600 -0.486 0.000 1.161 576 S CA -0.511 57.444 58.200 -0.409 0.000 0.999 576 S CB 0.791 63.552 63.200 -0.732 0.000 1.039 576 S HN 0.408 nan 8.310 nan 0.000 0.548 577 L N 2.620 123.507 121.223 -0.560 0.000 2.313 577 L HA 0.539 4.879 4.340 0.000 0.000 0.273 577 L C -1.665 174.955 176.870 -0.417 0.000 1.028 577 L CA -0.099 54.497 54.840 -0.406 0.000 0.871 577 L CB -0.557 41.266 42.059 -0.394 0.000 1.242 577 L HN 0.401 nan 8.230 nan 0.000 0.434 578 F N 4.482 124.423 119.950 -0.014 0.000 2.403 578 F HA 0.604 5.131 4.527 0.000 0.000 0.326 578 F C -0.110 175.730 175.800 0.067 0.000 1.081 578 F CA -0.679 57.339 58.000 0.030 0.000 1.041 578 F CB 1.331 40.348 39.000 0.029 0.000 1.234 578 F HN 0.136 nan 8.300 nan 0.000 0.503 579 L N 1.769 123.216 121.223 0.374 0.000 2.471 579 L HA 0.341 4.681 4.340 0.000 0.000 0.263 579 L C -0.785 176.303 176.870 0.364 0.000 0.985 579 L CA -0.139 54.904 54.840 0.339 0.000 0.868 579 L CB 1.446 43.695 42.059 0.316 0.000 1.203 579 L HN 0.462 nan 8.230 nan 0.000 0.429 580 S N 4.748 120.604 115.700 0.259 0.000 2.420 580 S HA 0.479 4.949 4.470 0.000 0.000 0.313 580 S C -2.480 172.168 174.600 0.081 0.000 1.079 580 S CA -1.048 57.237 58.200 0.141 0.000 1.104 580 S CB 1.058 64.287 63.200 0.047 0.000 0.969 580 S HN 0.286 nan 8.310 nan 0.000 0.471 581 P HA 0.322 nan 4.420 nan 0.000 0.301 581 P C -0.999 176.153 177.300 -0.246 0.000 1.338 581 P CA -0.597 62.277 63.100 -0.376 0.000 0.834 581 P CB 1.319 32.686 31.700 -0.555 0.000 0.967 582 V N 6.391 126.160 119.914 -0.240 0.000 2.320 582 V HA 0.192 4.312 4.120 0.000 0.000 0.265 582 V C 1.083 177.095 176.094 -0.137 0.000 1.048 582 V CA -0.675 61.541 62.300 -0.140 0.000 0.865 582 V CB 0.521 32.291 31.823 -0.090 0.000 1.043 582 V HN 0.563 nan 8.190 nan 0.000 0.474 583 I N 5.809 126.313 120.570 -0.109 0.000 2.648 583 I HA 0.131 4.301 4.170 0.000 0.000 0.284 583 I C 1.005 177.099 176.117 -0.038 0.000 1.153 583 I CA -0.090 61.166 61.300 -0.073 0.000 1.426 583 I CB 0.532 38.505 38.000 -0.046 0.000 1.381 583 I HN 0.778 nan 8.210 nan 0.000 0.571 584 M N 6.022 125.611 119.600 -0.018 0.000 2.503 584 M HA -0.332 4.148 4.480 0.000 0.000 0.199 584 M C 0.599 176.898 176.300 -0.002 0.000 0.466 584 M CA 1.061 56.362 55.300 0.001 0.000 0.510 584 M CB -2.162 30.441 32.600 0.005 0.000 1.858 584 M HN 0.884 nan 8.290 nan 0.000 0.799 585 N N -0.764 117.929 118.700 -0.012 0.000 2.644 585 N HA -0.261 4.479 4.740 0.000 0.000 0.248 585 N C -0.372 175.132 175.510 -0.009 0.000 1.150 585 N CA 1.508 54.554 53.050 -0.007 0.000 0.727 585 N CB -0.645 37.850 38.487 0.014 0.000 1.091 585 N HN 0.813 nan 8.380 nan 0.000 0.556 586 K N -0.325 120.065 120.400 -0.017 0.000 2.426 586 K HA 0.603 4.923 4.320 0.000 0.000 0.254 586 K C -0.241 176.340 176.600 -0.030 0.000 0.936 586 K CA -0.982 55.294 56.287 -0.018 0.000 0.801 586 K CB 1.294 33.788 32.500 -0.010 0.000 1.139 586 K HN 0.144 nan 8.250 nan 0.000 0.424 587 c N 0.762 119.341 118.600 -0.036 0.000 2.364 587 c HA 0.737 5.307 4.570 0.000 0.000 0.356 587 c C 0.628 174.694 174.090 -0.041 0.000 1.201 587 c CA -0.835 55.467 56.329 -0.045 0.000 2.227 587 c CB 0.624 43.101 42.510 -0.056 0.000 2.387 587 c HN 0.912 nan 8.230 nan 0.000 0.546 588 S N 1.617 117.290 115.700 -0.044 0.000 2.672 588 S HA 0.440 4.910 4.470 0.000 0.000 0.276 588 S C -0.398 174.175 174.600 -0.045 0.000 1.207 588 S CA -0.608 57.568 58.200 -0.040 0.000 1.002 588 S CB 0.541 63.717 63.200 -0.040 0.000 0.998 588 S HN 0.928 nan 8.310 nan 0.000 0.542 589 Q N 0.713 120.489 119.800 -0.040 0.000 2.286 589 Q HA 0.504 4.844 4.340 0.000 0.000 0.267 589 Q C 0.534 176.506 176.000 -0.047 0.000 1.028 589 Q CA -0.292 55.486 55.803 -0.042 0.000 0.901 589 Q CB -0.181 28.537 28.738 -0.034 0.000 1.183 589 Q HN 1.447 nan 8.270 nan 0.000 0.392 590 G N 1.112 109.880 108.800 -0.053 0.000 2.705 590 G HA2 0.081 4.041 3.960 0.000 0.000 0.686 590 G HA3 0.081 4.041 3.960 0.000 0.000 0.686 590 G C -0.461 174.398 174.900 -0.069 0.000 1.285 590 G CA -0.545 44.520 45.100 -0.058 0.000 0.800 590 G HN 1.060 nan 8.290 nan 0.000 0.611 591 A N 0.643 123.415 122.820 -0.080 0.000 2.267 591 A HA 0.832 5.152 4.320 0.000 0.000 0.271 591 A C 1.186 178.714 177.584 -0.093 0.000 1.131 591 A CA 0.328 52.307 52.037 -0.097 0.000 0.818 591 A CB 0.350 19.278 19.000 -0.120 0.000 1.118 591 A HN 2.078 nan 8.150 nan 0.000 0.501 592 V N 0.041 119.890 119.914 -0.109 0.000 3.237 592 V HA 0.366 4.486 4.120 0.000 0.000 0.305 592 V C 1.330 177.369 176.094 -0.092 0.000 1.096 592 V CA -0.043 62.197 62.300 -0.101 0.000 1.130 592 V CB 0.062 31.813 31.823 -0.120 0.000 1.048 592 V HN 1.171 nan 8.190 nan 0.000 0.484 593 A N 2.213 124.987 122.820 -0.076 0.000 2.364 593 A HA 0.529 4.849 4.320 0.000 0.000 0.258 593 A C 1.033 178.578 177.584 -0.064 0.000 1.131 593 A CA 0.289 52.289 52.037 -0.062 0.000 0.800 593 A CB -0.591 18.379 19.000 -0.050 0.000 1.086 593 A HN 1.329 nan 8.150 nan 0.000 0.508 594 G N -1.776 106.995 108.800 -0.048 0.000 2.664 594 G HA2 0.428 4.388 3.960 0.000 0.000 0.242 594 G HA3 0.428 4.388 3.960 0.000 0.000 0.242 594 G C -0.059 174.821 174.900 -0.033 0.000 1.225 594 G CA 0.849 45.925 45.100 -0.040 0.000 0.849 594 G HN 1.356 nan 8.290 nan 0.000 0.581 595 E N -0.569 119.621 120.200 -0.017 0.000 6.993 595 E HA -0.126 4.224 4.350 0.000 0.000 0.276 595 E C -2.328 174.268 176.600 -0.007 0.000 1.113 595 E CA 0.139 56.539 56.400 0.001 0.000 1.400 595 E CB -0.686 29.013 29.700 -0.002 0.000 0.936 595 E HN 0.398 nan 8.360 nan 0.000 0.285 596 P HA 0.190 nan 4.420 nan 0.000 0.274 596 P C -0.541 176.760 177.300 0.002 0.000 1.237 596 P CA -0.401 62.713 63.100 0.023 0.000 0.793 596 P CB 0.558 32.356 31.700 0.162 0.000 0.977 597 R N 1.713 122.166 120.500 -0.078 0.000 2.340 597 R HA 0.134 4.474 4.340 0.000 0.000 0.300 597 R C -0.059 176.291 176.300 0.084 0.000 1.069 597 R CA -0.198 55.852 56.100 -0.084 0.000 0.984 597 R CB 0.342 30.445 30.300 -0.329 0.000 1.003 597 R HN 0.501 nan 8.270 nan 0.000 0.459 598 Q N 3.899 123.773 119.800 0.123 0.000 2.293 598 Q HA 0.203 4.543 4.340 0.000 0.000 0.251 598 Q C -0.175 175.964 176.000 0.232 0.000 0.930 598 Q CA -0.310 55.590 55.803 0.162 0.000 0.893 598 Q CB 1.471 30.263 28.738 0.090 0.000 1.215 598 Q HN 0.538 nan 8.270 nan 0.000 0.425 599 I N 5.069 125.756 120.570 0.195 0.000 2.494 599 I HA 0.068 4.238 4.170 0.000 0.000 0.289 599 I C -1.670 174.480 176.117 0.055 0.000 1.106 599 I CA -1.577 59.785 61.300 0.102 0.000 1.369 599 I CB -0.062 37.949 38.000 0.018 0.000 1.410 599 I HN 0.342 nan 8.210 nan 0.000 0.523 600 P HA 0.142 nan 4.420 nan 0.000 0.275 600 P C -1.043 176.253 177.300 -0.007 0.000 1.227 600 P CA -0.408 62.707 63.100 0.026 0.000 0.781 600 P CB 0.772 32.493 31.700 0.036 0.000 0.906 601 K N 2.973 123.361 120.400 -0.021 0.000 2.172 601 K HA 0.563 4.883 4.320 0.000 0.000 0.276 601 K C 0.017 176.574 176.600 -0.071 0.000 1.013 601 K CA -0.615 55.648 56.287 -0.040 0.000 0.913 601 K CB 1.114 33.590 32.500 -0.039 0.000 1.055 601 K HN 0.462 nan 8.250 nan 0.000 0.461 602 I N 2.014 122.525 120.570 -0.098 0.000 2.545 602 I HA 0.147 4.317 4.170 0.000 0.000 0.292 602 I C 0.301 176.289 176.117 -0.215 0.000 1.040 602 I CA -0.477 60.722 61.300 -0.169 0.000 1.068 602 I CB 2.133 40.010 38.000 -0.205 0.000 1.251 602 I HN 0.615 nan 8.210 nan 0.000 0.424 603 Q N 2.597 122.252 119.800 -0.242 0.000 2.103 603 Q HA 0.202 4.542 4.340 0.000 0.000 0.219 603 Q C 0.957 176.819 176.000 -0.231 0.000 0.784 603 Q CA -0.239 55.417 55.803 -0.245 0.000 1.014 603 Q CB 0.771 29.389 28.738 -0.200 0.000 1.183 603 Q HN 0.583 nan 8.270 nan 0.000 0.469 604 N N 0.948 119.454 118.700 -0.324 0.000 2.022 604 N HA -0.077 4.663 4.740 0.000 0.000 0.194 604 N C 0.210 175.608 175.510 -0.187 0.000 1.057 604 N CA 1.040 53.901 53.050 -0.315 0.000 0.849 604 N CB -0.175 38.027 38.487 -0.474 0.000 1.044 604 N HN 0.075 nan 8.380 nan 0.000 0.424 605 F N 1.522 121.481 119.950 0.014 0.000 2.623 605 F HA -0.060 4.467 4.527 0.000 0.000 0.381 605 F C 1.444 177.244 175.800 0.001 0.000 1.081 605 F CA -0.196 57.832 58.000 0.047 0.000 1.293 605 F CB -0.607 38.502 39.000 0.181 0.000 1.006 605 F HN -0.031 nan 8.300 nan 0.000 0.578 606 T N 1.032 115.706 114.554 0.200 0.000 2.929 606 T HA 0.481 4.831 4.350 0.000 0.000 0.284 606 T C 1.176 175.927 174.700 0.085 0.000 1.014 606 T CA -1.066 61.090 62.100 0.094 0.000 1.051 606 T CB 1.731 70.632 68.868 0.055 0.000 1.028 606 T HN 0.545 nan 8.240 nan 0.000 0.485 607 R N 0.888 121.423 120.500 0.058 0.000 2.109 607 R HA -0.031 4.309 4.340 0.000 0.000 0.227 607 R C 0.737 177.058 176.300 0.036 0.000 1.132 607 R CA 1.224 57.357 56.100 0.056 0.000 0.907 607 R CB -1.397 28.935 30.300 0.054 0.000 0.825 607 R HN 0.671 nan 8.270 nan 0.000 0.432 608 T N 2.713 117.280 114.554 0.021 0.000 2.871 608 T HA 0.021 4.371 4.350 0.000 0.000 0.296 608 T C 0.119 174.807 174.700 -0.022 0.000 0.998 608 T CA 0.386 62.486 62.100 0.000 0.000 1.162 608 T CB 0.615 69.482 68.868 -0.001 0.000 0.947 608 T HN 0.092 nan 8.240 nan 0.000 0.536 609 Q N 2.057 121.827 119.800 -0.048 0.000 2.304 609 Q HA 0.313 4.653 4.340 0.000 0.000 0.270 609 Q C 0.673 176.618 176.000 -0.092 0.000 1.035 609 Q CA -0.658 55.090 55.803 -0.092 0.000 0.781 609 Q CB 2.475 31.113 28.738 -0.166 0.000 1.261 609 Q HN 0.658 nan 8.270 nan 0.000 0.444 610 K N 1.131 121.479 120.400 -0.087 0.000 1.967 610 K HA -0.014 4.306 4.320 0.000 0.000 0.212 610 K C 0.813 177.354 176.600 -0.098 0.000 1.044 610 K CA 1.238 57.479 56.287 -0.077 0.000 0.942 610 K CB 0.118 32.581 32.500 -0.062 0.000 0.726 610 K HN 0.696 nan 8.250 nan 0.000 0.440 611 S N -0.607 115.022 115.700 -0.119 0.000 2.694 611 S HA 0.114 4.584 4.470 0.000 0.000 0.278 611 S C 0.063 174.546 174.600 -0.195 0.000 1.152 611 S CA -0.998 57.120 58.200 -0.136 0.000 1.010 611 S CB 1.368 64.494 63.200 -0.122 0.000 1.104 611 S HN 0.383 nan 8.310 nan 0.000 0.547 612 C N 2.068 121.247 119.300 -0.202 0.000 2.262 612 C HA 0.436 4.896 4.460 0.000 0.000 0.413 612 C C 1.635 176.415 174.990 -0.349 0.000 1.019 612 C CA -0.862 58.002 59.018 -0.256 0.000 1.320 612 C CB -2.911 24.703 27.740 -0.210 0.000 1.657 612 C HN 0.760 nan 8.230 nan 0.000 0.510 613 I N 2.743 123.015 120.570 -0.497 0.000 2.072 613 I HA -0.071 4.099 4.170 0.000 0.000 0.235 613 I C 0.751 176.499 176.117 -0.614 0.000 1.058 613 I CA 1.510 62.439 61.300 -0.618 0.000 1.320 613 I CB -0.457 36.928 38.000 -1.025 0.000 1.047 613 I HN 0.415 nan 8.210 nan 0.000 0.397 614 F N 0.833 120.597 119.950 -0.309 0.000 2.659 614 F HA 0.167 4.694 4.527 0.000 0.000 0.360 614 F C 1.136 176.674 175.800 -0.437 0.000 1.218 614 F CA -0.730 57.080 58.000 -0.316 0.000 1.317 614 F CB -1.050 37.962 39.000 0.021 0.000 1.697 614 F HN 0.107 nan 8.300 nan 0.000 0.637 615 C N 0.689 119.642 119.300 -0.578 0.000 3.529 615 C HA 0.189 4.649 4.460 0.000 0.000 0.288 615 C C 2.819 177.599 174.990 -0.349 0.000 1.353 615 C CA 1.192 59.970 59.018 -0.400 0.000 1.705 615 C CB -0.770 26.760 27.740 -0.349 0.000 2.156 615 C HN 0.828 nan 8.230 nan 0.000 0.555 616 G N 0.161 108.771 108.800 -0.316 0.000 2.990 616 G HA2 0.134 4.094 3.960 0.000 0.000 0.206 616 G HA3 0.134 4.094 3.960 0.000 0.000 0.206 616 G C 0.299 175.469 174.900 0.450 0.000 1.169 616 G CA 0.244 45.379 45.100 0.059 0.000 0.819 616 G HN 0.297 nan 8.290 nan 0.000 0.517 617 F N 0.202 120.261 119.950 0.181 0.000 2.377 617 F HA 0.804 5.331 4.527 0.000 0.000 0.335 617 F C 0.514 176.474 175.800 0.267 0.000 1.099 617 F CA -2.322 55.814 58.000 0.227 0.000 1.072 617 F CB 0.979 40.083 39.000 0.173 0.000 1.417 617 F HN 0.060 nan 8.300 nan 0.000 0.495 618 A N 0.451 123.520 122.820 0.415 0.000 2.515 618 A HA 0.755 5.075 4.320 0.000 0.000 0.298 618 A C -1.606 176.066 177.584 0.145 0.000 1.059 618 A CA -0.636 51.585 52.037 0.306 0.000 0.698 618 A CB 1.383 20.561 19.000 0.297 0.000 1.289 618 A HN 0.642 nan 8.150 nan 0.000 0.404 619 L N 1.266 122.580 121.223 0.150 0.000 2.325 619 L HA 0.684 5.024 4.340 0.000 0.000 0.278 619 L C -1.140 175.818 176.870 0.146 0.000 1.023 619 L CA -0.891 54.039 54.840 0.149 0.000 0.811 619 L CB 1.770 43.955 42.059 0.210 0.000 1.249 619 L HN 0.627 nan 8.230 nan 0.000 0.431 620 L N 2.949 124.247 121.223 0.125 0.000 2.446 620 L HA 0.408 4.748 4.340 0.000 0.000 0.268 620 L C -0.333 176.590 176.870 0.088 0.000 0.975 620 L CA -0.055 54.842 54.840 0.096 0.000 0.848 620 L CB 1.841 43.929 42.059 0.047 0.000 1.225 620 L HN 0.612 nan 8.230 nan 0.000 0.410 621 S N 3.612 119.312 115.700 -0.000 0.000 2.475 621 S HA 0.799 5.269 4.470 0.000 0.000 0.298 621 S C -0.760 173.759 174.600 -0.135 0.000 1.119 621 S CA -0.527 57.527 58.200 -0.243 0.000 1.085 621 S CB 1.210 64.089 63.200 -0.536 0.000 1.028 621 S HN 0.550 nan 8.310 nan 0.000 0.489 622 Y N -0.629 119.551 120.300 -0.201 0.000 2.512 622 Y HA 0.748 5.298 4.550 0.000 0.000 0.348 622 Y C -0.863 174.942 175.900 -0.159 0.000 0.990 622 Y CA -1.379 56.641 58.100 -0.134 0.000 1.033 622 Y CB 0.821 39.247 38.460 -0.057 0.000 1.259 622 Y HN 0.620 nan 8.280 nan 0.000 0.461 623 D N 1.900 122.292 120.400 -0.013 0.000 2.210 623 D HA 0.169 4.809 4.640 0.000 0.000 0.249 623 D C 0.774 177.101 176.300 0.044 0.000 1.078 623 D CA -0.179 53.753 54.000 -0.114 0.000 0.875 623 D CB 1.474 42.190 40.800 -0.140 0.000 1.175 623 D HN 0.822 nan 8.370 nan 0.000 0.440 624 E N 1.825 121.996 120.200 -0.049 0.000 2.058 624 E HA -0.223 4.127 4.350 0.000 0.000 0.194 624 E C 1.249 177.770 176.600 -0.131 0.000 0.997 624 E CA 1.375 57.787 56.400 0.020 0.000 0.801 624 E CB 0.282 29.926 29.700 -0.094 0.000 0.746 624 E HN 0.428 nan 8.360 nan 0.000 0.450 625 K N 0.203 120.403 120.400 -0.334 0.000 2.005 625 K HA -0.037 4.283 4.320 0.000 0.000 0.206 625 K C 1.032 177.582 176.600 -0.084 0.000 1.044 625 K CA 0.726 56.845 56.287 -0.280 0.000 0.942 625 K CB -0.003 32.263 32.500 -0.389 0.000 0.727 625 K HN -0.045 nan 8.250 nan 0.000 0.439 626 E N -0.354 119.787 120.200 -0.098 0.000 2.622 626 E HA 0.148 4.498 4.350 0.000 0.000 0.255 626 E C 0.644 177.242 176.600 -0.003 0.000 1.313 626 E CA 0.022 56.394 56.400 -0.047 0.000 1.011 626 E CB 0.297 29.957 29.700 -0.068 0.000 1.173 626 E HN 0.250 nan 8.360 nan 0.000 0.601 627 G N -0.328 108.473 108.800 0.001 0.000 2.711 627 G HA2 0.161 4.121 3.960 0.000 0.000 0.186 627 G HA3 0.161 4.121 3.960 0.000 0.000 0.186 627 G C -0.456 174.466 174.900 0.038 0.000 1.635 627 G CA -0.506 44.604 45.100 0.016 0.000 1.065 627 G HN 0.309 nan 8.290 nan 0.000 0.545 628 L N 0.730 121.972 121.223 0.031 0.000 2.305 628 L HA 0.268 4.608 4.340 0.000 0.000 0.281 628 L C 1.201 178.075 176.870 0.007 0.000 1.085 628 L CA -0.666 54.202 54.840 0.047 0.000 0.813 628 L CB 1.404 43.486 42.059 0.038 0.000 1.157 628 L HN 0.481 nan 8.230 nan 0.000 0.436 629 E N 1.812 122.001 120.200 -0.017 0.000 2.025 629 E HA 0.050 4.400 4.350 0.000 0.000 0.198 629 E C 0.531 177.103 176.600 -0.047 0.000 0.955 629 E CA 0.931 57.291 56.400 -0.066 0.000 0.862 629 E CB 0.141 29.758 29.700 -0.139 0.000 0.837 629 E HN 0.728 nan 8.360 nan 0.000 0.488 630 T N -1.733 112.795 114.554 -0.043 0.000 2.906 630 T HA 0.529 4.879 4.350 0.000 0.000 0.295 630 T C -0.337 174.405 174.700 0.070 0.000 1.061 630 T CA -0.766 61.343 62.100 0.016 0.000 1.000 630 T CB 2.289 71.182 68.868 0.042 0.000 1.103 630 T HN 0.027 nan 8.240 nan 0.000 0.486 631 T N 1.033 115.641 114.554 0.090 0.000 2.876 631 T HA 0.707 5.057 4.350 0.000 0.000 0.289 631 T C -1.133 173.654 174.700 0.146 0.000 1.014 631 T CA -0.325 61.842 62.100 0.112 0.000 0.986 631 T CB 1.489 70.396 68.868 0.065 0.000 1.021 631 T HN 0.893 nan 8.240 nan 0.000 0.458 632 T N 3.683 118.343 114.554 0.176 0.000 2.916 632 T HA 0.398 4.748 4.350 0.000 0.000 0.298 632 T C -1.780 173.090 174.700 0.283 0.000 1.031 632 T CA -0.467 61.754 62.100 0.201 0.000 0.993 632 T CB 1.076 69.969 68.868 0.042 0.000 1.045 632 T HN 0.602 nan 8.240 nan 0.000 0.454 633 Y N 3.488 123.928 120.300 0.234 0.000 2.402 633 Y HA 0.532 5.082 4.550 0.000 0.000 0.332 633 Y C -0.115 175.906 175.900 0.203 0.000 0.960 633 Y CA -1.184 57.050 58.100 0.223 0.000 1.228 633 Y CB 0.403 39.001 38.460 0.230 0.000 1.120 633 Y HN 0.596 nan 8.280 nan 0.000 0.491 634 I N 7.432 127.891 120.570 -0.184 0.000 2.455 634 I HA -0.057 4.113 4.170 0.000 0.000 0.303 634 I C 1.445 177.267 176.117 -0.491 0.000 1.180 634 I CA 0.254 61.389 61.300 -0.275 0.000 1.469 634 I CB 0.129 38.047 38.000 -0.135 0.000 1.480 634 I HN 0.797 nan 8.210 nan 0.000 0.669 635 T N 1.652 115.932 114.554 -0.456 0.000 2.607 635 T HA -0.129 4.221 4.350 0.000 0.000 0.267 635 T C 0.936 175.479 174.700 -0.263 0.000 1.049 635 T CA 1.326 63.206 62.100 -0.367 0.000 1.162 635 T CB -0.139 68.619 68.868 -0.184 0.000 0.863 635 T HN 0.616 nan 8.240 nan 0.000 0.424 636 S N -0.618 114.948 115.700 -0.224 0.000 2.806 636 S HA 0.541 5.011 4.470 0.000 0.000 0.306 636 S C 0.746 175.248 174.600 -0.164 0.000 1.167 636 S CA -0.455 57.644 58.200 -0.168 0.000 0.847 636 S CB 1.833 64.962 63.200 -0.118 0.000 1.216 636 S HN 0.223 nan 8.310 nan 0.000 0.532 637 Q N 1.489 121.208 119.800 -0.136 0.000 2.014 637 Q HA -0.234 4.106 4.340 0.000 0.000 0.207 637 Q C 1.936 177.866 176.000 -0.117 0.000 0.993 637 Q CA 2.928 58.656 55.803 -0.126 0.000 0.850 637 Q CB -0.891 27.784 28.738 -0.105 0.000 0.916 637 Q HN 0.903 nan 8.270 nan 0.000 0.417 638 E N -1.044 119.091 120.200 -0.108 0.000 2.114 638 E HA -0.236 4.114 4.350 0.000 0.000 0.199 638 E C 1.825 178.351 176.600 -0.124 0.000 1.008 638 E CA 1.934 58.272 56.400 -0.104 0.000 0.810 638 E CB -0.600 29.041 29.700 -0.098 0.000 0.739 638 E HN 0.287 nan 8.360 nan 0.000 0.456 639 V N 1.368 121.184 119.914 -0.163 0.000 2.307 639 V HA -0.300 3.820 4.120 0.000 0.000 0.245 639 V C 2.758 178.763 176.094 -0.148 0.000 1.045 639 V CA 2.220 64.401 62.300 -0.199 0.000 1.024 639 V CB -0.947 30.699 31.823 -0.295 0.000 0.651 639 V HN 0.336 nan 8.190 nan 0.000 0.449 640 Q N 0.325 120.051 119.800 -0.122 0.000 2.135 640 Q HA -0.243 4.097 4.340 0.000 0.000 0.204 640 Q C 2.146 178.127 176.000 -0.032 0.000 0.981 640 Q CA 1.992 57.758 55.803 -0.061 0.000 0.856 640 Q CB -0.138 28.554 28.738 -0.077 0.000 0.902 640 Q HN 0.696 nan 8.270 nan 0.000 0.425 641 N N 0.266 118.933 118.700 -0.056 0.000 2.142 641 N HA -0.108 4.632 4.740 0.000 0.000 0.186 641 N C 1.654 177.151 175.510 -0.022 0.000 1.023 641 N CA 1.512 54.541 53.050 -0.034 0.000 0.852 641 N CB -0.195 38.263 38.487 -0.048 0.000 0.998 641 N HN 0.303 nan 8.380 nan 0.000 0.424 642 S N -0.018 115.652 115.700 -0.050 0.000 2.803 642 S HA 0.143 4.614 4.470 0.000 0.000 0.226 642 S C 1.509 176.086 174.600 -0.037 0.000 0.962 642 S CA 0.193 58.366 58.200 -0.046 0.000 0.968 642 S CB -0.382 62.772 63.200 -0.076 0.000 0.786 642 S HN 0.258 nan 8.310 nan 0.000 0.527 643 I N -0.847 119.712 120.570 -0.018 0.000 4.228 643 I HA 0.185 4.355 4.170 0.000 0.000 0.298 643 I C 1.610 177.832 176.117 0.175 0.000 1.206 643 I CA 0.131 61.422 61.300 -0.015 0.000 1.322 643 I CB 0.083 37.990 38.000 -0.155 0.000 1.411 643 I HN 0.201 nan 8.210 nan 0.000 0.454 644 L N 0.849 122.184 121.223 0.186 0.000 2.313 644 L HA -0.025 4.315 4.340 0.000 0.000 0.214 644 L C 2.573 179.530 176.870 0.145 0.000 1.119 644 L CA 1.172 56.149 54.840 0.229 0.000 0.809 644 L CB -0.473 41.682 42.059 0.161 0.000 0.933 644 L HN 0.313 nan 8.230 nan 0.000 0.449 645 S N -0.874 114.881 115.700 0.092 0.000 2.387 645 S HA -0.013 4.457 4.470 0.000 0.000 0.221 645 S C 1.359 175.997 174.600 0.065 0.000 1.041 645 S CA 0.220 58.455 58.200 0.060 0.000 0.959 645 S CB -0.475 62.742 63.200 0.029 0.000 0.843 645 S HN 0.428 nan 8.310 nan 0.000 0.488 646 S N 2.354 118.096 115.700 0.070 0.000 2.617 646 S HA 0.252 4.722 4.470 0.000 0.000 0.255 646 S C 0.280 174.931 174.600 0.085 0.000 1.318 646 S CA -0.607 57.633 58.200 0.067 0.000 0.978 646 S CB -0.199 63.041 63.200 0.067 0.000 0.961 646 S HN 0.421 nan 8.310 nan 0.000 0.582 647 N N 0.404 119.136 118.700 0.054 0.000 2.597 647 N HA 0.086 4.826 4.740 0.000 0.000 0.269 647 N C 0.209 175.712 175.510 -0.013 0.000 1.204 647 N CA -0.003 53.055 53.050 0.014 0.000 0.947 647 N CB -0.394 38.082 38.487 -0.019 0.000 1.258 647 N HN 0.706 nan 8.380 nan 0.000 0.508 648 Y N 0.528 120.761 120.300 -0.111 0.000 2.274 648 Y HA -0.056 4.494 4.550 0.000 0.000 0.290 648 Y C -0.012 175.609 175.900 -0.466 0.000 1.145 648 Y CA 1.145 59.094 58.100 -0.251 0.000 1.203 648 Y CB -0.011 38.257 38.460 -0.320 0.000 0.984 648 Y HN -0.086 nan 8.280 nan 0.000 0.533 649 F N 0.392 120.106 119.950 -0.394 0.000 2.399 649 F HA 0.352 4.879 4.527 0.000 0.000 0.328 649 F C -0.081 175.227 175.800 -0.819 0.000 1.084 649 F CA -0.708 56.702 58.000 -0.984 0.000 1.053 649 F CB 1.130 39.462 39.000 -1.114 0.000 1.209 649 F HN -0.182 nan 8.300 nan 0.000 0.502 650 D N 1.494 121.487 120.400 -0.679 0.000 2.934 650 D HA 0.149 4.789 4.640 0.000 0.000 0.249 650 D C -0.067 176.133 176.300 -0.167 0.000 1.293 650 D CA -0.235 53.561 54.000 -0.340 0.000 0.812 650 D CB -0.317 40.417 40.800 -0.110 0.000 1.439 650 D HN 0.176 nan 8.370 nan 0.000 0.555 651 F N 0.097 120.088 119.950 0.068 0.000 2.546 651 F HA 0.078 4.605 4.527 0.000 0.000 0.298 651 F C 1.659 177.482 175.800 0.037 0.000 1.120 651 F CA 0.301 58.348 58.000 0.078 0.000 1.456 651 F CB -0.142 38.874 39.000 0.026 0.000 1.088 651 F HN 0.198 nan 8.300 nan 0.000 0.572 652 D N 0.691 121.159 120.400 0.114 0.000 2.663 652 D HA -0.018 4.622 4.640 0.000 0.000 0.243 652 D C 0.039 176.342 176.300 0.005 0.000 1.218 652 D CA 0.363 54.396 54.000 0.055 0.000 0.846 652 D CB -0.483 40.333 40.800 0.026 0.000 1.014 652 D HN 0.164 nan 8.370 nan 0.000 0.476 653 N N 1.458 120.161 118.700 0.005 0.000 2.594 653 N HA 0.007 4.747 4.740 0.000 0.000 0.280 653 N C 0.830 176.267 175.510 -0.121 0.000 1.156 653 N CA -0.431 52.580 53.050 -0.065 0.000 0.831 653 N CB 1.030 39.483 38.487 -0.056 0.000 1.379 653 N HN -0.139 nan 8.380 nan 0.000 0.536 654 L N 2.369 123.478 121.223 -0.190 0.000 2.191 654 L HA -0.112 4.228 4.340 0.000 0.000 0.212 654 L C 1.745 178.407 176.870 -0.346 0.000 1.103 654 L CA 1.307 56.014 54.840 -0.223 0.000 0.769 654 L CB -0.879 41.048 42.059 -0.219 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.817 118.091 119.070 -0.270 0.000 2.389 655 H HA 0.071 4.627 4.556 0.000 0.000 0.299 655 H C 0.573 175.590 175.328 -0.517 0.000 1.081 655 H CA 0.357 56.198 56.048 -0.344 0.000 1.345 655 H CB -0.028 29.579 29.762 -0.259 0.000 1.393 655 H HN 0.041 nan 8.280 nan 0.000 0.520 656 V N 2.455 122.130 119.914 -0.399 0.000 2.481 656 V HA 0.174 4.294 4.120 0.000 0.000 0.286 656 V C 0.139 175.774 176.094 -0.765 0.000 1.042 656 V CA -0.568 61.386 62.300 -0.577 0.000 0.928 656 V CB 1.867 33.419 31.823 -0.453 0.000 0.986 656 V HN 0.341 nan 8.190 nan 0.000 0.462 657 H N 2.716 121.346 119.070 -0.734 0.000 2.679 657 H HA 0.551 5.107 4.556 0.000 0.000 0.367 657 H C -1.550 173.354 175.328 -0.708 0.000 1.162 657 H CA -0.595 55.093 56.048 -0.599 0.000 1.181 657 H CB 1.928 31.217 29.762 -0.789 0.000 1.693 657 H HN 0.569 nan 8.280 nan 0.000 0.538 658 Y N 1.292 121.640 120.300 0.080 0.000 2.326 658 Y HA 0.279 4.829 4.550 0.000 0.000 0.331 658 Y C -0.462 175.529 175.900 0.150 0.000 0.962 658 Y CA -0.736 57.446 58.100 0.137 0.000 1.167 658 Y CB 1.251 39.930 38.460 0.365 0.000 1.148 658 Y HN 0.244 nan 8.280 nan 0.000 0.463 659 L N 3.907 125.261 121.223 0.219 0.000 2.334 659 L HA 0.576 4.916 4.340 0.000 0.000 0.272 659 L C -1.049 175.858 176.870 0.061 0.000 1.020 659 L CA -0.871 54.039 54.840 0.118 0.000 0.812 659 L CB 1.639 43.743 42.059 0.076 0.000 1.264 659 L HN 0.521 nan 8.230 nan 0.000 0.439 660 L N 3.055 124.250 121.223 -0.047 0.000 2.372 660 L HA 0.551 4.891 4.340 0.000 0.000 0.274 660 L C -1.369 175.356 176.870 -0.243 0.000 0.988 660 L CA -0.154 54.620 54.840 -0.111 0.000 0.833 660 L CB 1.194 43.170 42.059 -0.138 0.000 1.236 660 L HN 0.358 nan 8.230 nan 0.000 0.410 661 L N 4.825 125.862 121.223 -0.310 0.000 2.272 661 L HA 0.576 4.916 4.340 0.000 0.000 0.289 661 L C 0.685 177.389 176.870 -0.276 0.000 1.032 661 L CA -0.515 53.984 54.840 -0.568 0.000 0.810 661 L CB 1.396 42.756 42.059 -1.165 0.000 1.205 661 L HN 0.717 nan 8.230 nan 0.000 0.422 662 T N -2.462 111.913 114.554 -0.299 0.000 2.884 662 T HA 0.180 4.530 4.350 0.000 0.000 0.277 662 T C 1.333 176.046 174.700 0.022 0.000 0.976 662 T CA 0.021 61.697 62.100 -0.707 0.000 0.956 662 T CB 1.267 69.517 68.868 -1.029 0.000 1.113 662 T HN 0.684 nan 8.240 nan 0.000 0.554 663 T N -0.949 113.694 114.554 0.148 0.000 2.962 663 T HA -0.010 4.340 4.350 0.000 0.000 0.270 663 T C 0.684 175.492 174.700 0.181 0.000 1.088 663 T CA 0.299 62.590 62.100 0.317 0.000 1.127 663 T CB -0.651 68.459 68.868 0.403 0.000 0.883 663 T HN 0.598 nan 8.240 nan 0.000 0.493 664 N N 1.323 120.095 118.700 0.119 0.000 2.489 664 N HA 0.405 5.145 4.740 0.000 0.000 0.284 664 N C 0.958 176.551 175.510 0.137 0.000 1.158 664 N CA -0.251 52.859 53.050 0.099 0.000 0.965 664 N CB 0.914 39.453 38.487 0.087 0.000 1.195 664 N HN 0.289 nan 8.380 nan 0.000 0.506 665 G N -0.208 108.645 108.800 0.087 0.000 3.229 665 G HA2 -0.059 3.901 3.960 0.000 0.000 0.214 665 G HA3 -0.059 3.901 3.960 0.000 0.000 0.214 665 G C 0.439 175.556 174.900 0.362 0.000 1.256 665 G CA 0.193 45.360 45.100 0.112 0.000 1.042 665 G HN 0.643 nan 8.290 nan 0.000 0.497 666 T N -2.525 112.215 114.554 0.311 0.000 2.907 666 T HA 0.656 5.006 4.350 0.000 0.000 0.284 666 T C -0.536 174.187 174.700 0.038 0.000 1.004 666 T CA -0.785 61.469 62.100 0.258 0.000 1.063 666 T CB 2.590 71.540 68.868 0.137 0.000 0.992 666 T HN -0.046 nan 8.240 nan 0.000 0.483 667 V N 3.971 123.690 119.914 -0.325 0.000 2.789 667 V HA 0.744 4.864 4.120 0.000 0.000 0.311 667 V C -0.220 175.651 176.094 -0.371 0.000 1.073 667 V CA -1.023 60.955 62.300 -0.536 0.000 0.921 667 V CB 1.772 33.004 31.823 -0.984 0.000 1.009 667 V HN 1.159 nan 8.190 nan 0.000 0.426 668 M N 1.333 120.805 119.600 -0.212 0.000 2.465 668 M HA 0.696 5.176 4.480 0.000 0.000 0.284 668 M C -1.058 175.223 176.300 -0.032 0.000 1.212 668 M CA -0.629 54.617 55.300 -0.090 0.000 0.910 668 M CB 2.504 35.093 32.600 -0.019 0.000 1.725 668 M HN 0.609 nan 8.290 nan 0.000 0.477 669 E N 1.834 122.034 120.200 -0.000 0.000 2.277 669 E HA 0.707 5.057 4.350 0.000 0.000 0.274 669 E C -1.627 175.008 176.600 0.058 0.000 1.022 669 E CA -0.672 55.760 56.400 0.054 0.000 0.853 669 E CB 1.574 31.292 29.700 0.030 0.000 1.086 669 E HN 0.697 nan 8.360 nan 0.000 0.397 670 I N 1.935 122.587 120.570 0.136 0.000 2.603 670 I HA 0.546 4.716 4.170 0.000 0.000 0.300 670 I C -0.267 175.787 176.117 -0.106 0.000 1.017 670 I CA -0.603 60.719 61.300 0.036 0.000 1.098 670 I CB 1.992 40.059 38.000 0.110 0.000 1.279 670 I HN 0.650 nan 8.210 nan 0.000 0.437 671 A N 4.032 126.518 122.820 -0.558 0.000 2.904 671 A HA 0.624 4.944 4.320 0.000 0.000 0.213 671 A C -0.270 176.715 177.584 -0.998 0.000 1.506 671 A CA 0.124 51.525 52.037 -1.059 0.000 1.486 671 A CB -0.261 18.541 19.000 -0.331 0.000 1.093 671 A HN 0.981 nan 8.150 nan 0.000 0.805 672 G N 0.000 108.193 108.800 -1.011 0.000 5.446 672 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 672 G CA 0.000 44.797 45.100 -0.505 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925