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_Y 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 0.000 176.737 176.870 -0.222 0.000 1.165 20 L CA 0.000 54.821 54.840 -0.032 0.000 0.813 20 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 21 S N 2.884 118.280 115.700 -0.506 0.000 3.926 21 S HA 0.000 4.470 4.470 0.000 0.000 0.478 21 S C -0.332 173.625 174.600 -1.071 0.000 0.830 21 S CA 1.219 58.589 58.200 -1.383 0.000 1.318 21 S CB -1.043 61.721 63.200 -0.727 0.000 0.848 21 S HN 1.001 nan 8.310 nan 0.000 0.628 22 E N -0.083 119.539 120.200 -0.963 0.000 3.397 22 E HA 0.508 4.858 4.350 0.000 0.000 0.380 22 E C -1.317 175.203 176.600 -0.134 0.000 0.989 22 E CA -0.328 55.788 56.400 -0.472 0.000 0.783 22 E CB 0.719 30.255 29.700 -0.275 0.000 1.334 22 E HN 0.410 nan 8.360 nan 0.000 0.457 23 V N 3.944 123.844 119.914 -0.024 0.000 3.087 23 V HA 0.733 4.853 4.120 0.000 0.000 0.306 23 V C -1.184 174.928 176.094 0.029 0.000 1.187 23 V CA -0.955 61.401 62.300 0.093 0.000 0.999 23 V CB 2.401 34.379 31.823 0.258 0.000 1.049 23 V HN 0.676 nan 8.190 nan 0.000 0.431 24 K N 2.806 123.184 120.400 -0.037 0.000 2.553 24 K HA 0.785 5.105 4.320 0.000 0.000 0.250 24 K C -1.420 174.981 176.600 -0.332 0.000 0.953 24 K CA -0.846 55.365 56.287 -0.126 0.000 0.800 24 K CB 2.147 34.577 32.500 -0.117 0.000 1.243 24 K HN 0.550 nan 8.250 nan 0.000 0.435 25 L N -0.488 120.567 121.223 -0.280 0.000 2.334 25 L HA 0.614 4.954 4.340 0.000 0.000 0.275 25 L C -1.085 175.523 176.870 -0.437 0.000 1.036 25 L CA -0.377 54.270 54.840 -0.321 0.000 0.807 25 L CB 0.770 42.793 42.059 -0.061 0.000 1.231 25 L HN 0.605 nan 8.230 nan 0.000 0.438 26 H N 2.627 121.661 119.070 -0.060 0.000 2.685 26 H HA 0.583 5.140 4.556 0.000 0.000 0.307 26 H C -0.126 175.169 175.328 -0.055 0.000 1.017 26 H CA -0.739 55.191 56.048 -0.196 0.000 1.237 26 H CB 1.065 30.562 29.762 -0.442 0.000 1.409 26 H HN 0.644 nan 8.280 nan 0.000 0.488 27 L N 1.585 122.896 121.223 0.148 0.000 2.416 27 L HA 0.200 4.540 4.340 0.000 0.000 0.212 27 L C 0.394 177.343 176.870 0.131 0.000 1.200 27 L CA 0.625 55.562 54.840 0.162 0.000 0.841 27 L CB 0.482 42.696 42.059 0.257 0.000 1.299 27 L HN 0.867 nan 8.230 nan 0.000 0.538 28 D N 0.569 121.043 120.400 0.124 0.000 2.492 28 D HA 0.122 4.762 4.640 0.000 0.000 0.229 28 D C -1.371 174.988 176.300 0.098 0.000 1.345 28 D CA -0.374 53.690 54.000 0.107 0.000 0.912 28 D CB 0.281 41.127 40.800 0.077 0.000 1.526 28 D HN 0.207 nan 8.370 nan 0.000 0.505 29 I N 2.144 122.784 120.570 0.117 0.000 2.441 29 I HA 0.101 4.271 4.170 0.000 0.000 0.287 29 I C 0.916 177.096 176.117 0.104 0.000 1.049 29 I CA -0.275 61.085 61.300 0.100 0.000 1.381 29 I CB 0.851 38.912 38.000 0.103 0.000 1.409 29 I HN 0.266 nan 8.210 nan 0.000 0.523 30 E N 4.778 125.025 120.200 0.078 0.000 2.966 30 E HA 0.143 4.493 4.350 0.000 0.000 0.254 30 E C 1.097 177.761 176.600 0.107 0.000 0.923 30 E CA 1.552 57.994 56.400 0.071 0.000 0.960 30 E CB -0.259 29.473 29.700 0.052 0.000 0.901 30 E HN 0.778 nan 8.360 nan 0.000 0.525 31 G N 4.091 112.937 108.800 0.077 0.000 2.611 31 G HA2 -0.253 3.708 3.960 0.000 0.000 0.208 31 G HA3 -0.253 3.708 3.960 0.000 0.000 0.208 31 G C -0.348 174.513 174.900 -0.064 0.000 1.201 31 G CA 0.125 45.261 45.100 0.059 0.000 0.739 31 G HN 0.697 nan 8.290 nan 0.000 0.528 32 H N 0.736 119.827 119.070 0.036 0.000 2.622 32 H HA 0.772 5.328 4.556 0.000 0.000 0.363 32 H C 0.279 175.645 175.328 0.064 0.000 1.151 32 H CA 0.219 56.291 56.048 0.041 0.000 1.184 32 H CB 1.865 31.647 29.762 0.034 0.000 1.643 32 H HN 0.716 nan 8.280 nan 0.000 0.531 33 A N 2.216 125.142 122.820 0.176 0.000 2.269 33 A HA 0.500 4.820 4.320 0.000 0.000 0.302 33 A C -0.248 177.497 177.584 0.268 0.000 1.266 33 A CA -0.513 51.644 52.037 0.200 0.000 0.894 33 A CB 0.099 19.229 19.000 0.217 0.000 1.147 33 A HN 0.622 nan 8.150 nan 0.000 0.537 34 S N 1.248 117.085 115.700 0.228 0.000 2.585 34 S HA 0.530 5.000 4.470 0.000 0.000 0.277 34 S C -0.756 173.939 174.600 0.157 0.000 1.241 34 S CA -0.266 58.020 58.200 0.143 0.000 1.041 34 S CB 0.465 63.746 63.200 0.135 0.000 0.987 34 S HN 0.717 nan 8.310 nan 0.000 0.512 35 H N 1.110 119.993 119.070 -0.311 0.000 2.860 35 H HA 0.438 4.994 4.556 0.000 0.000 0.312 35 H C -1.502 173.581 175.328 -0.408 0.000 0.995 35 H CA -0.299 55.630 56.048 -0.199 0.000 1.311 35 H CB 0.325 30.051 29.762 -0.059 0.000 1.478 35 H HN 0.487 nan 8.280 nan 0.000 0.508 36 Y N 0.956 121.277 120.300 0.034 0.000 2.376 36 Y HA 0.434 4.984 4.550 0.000 0.000 0.340 36 Y C 0.265 176.139 175.900 -0.044 0.000 0.965 36 Y CA -1.025 57.079 58.100 0.008 0.000 1.078 36 Y CB 1.973 40.434 38.460 0.000 0.000 1.193 36 Y HN 0.500 nan 8.280 nan 0.000 0.452 37 T N 1.321 115.950 114.554 0.125 0.000 2.791 37 T HA 0.666 5.016 4.350 0.000 0.000 0.288 37 T C -0.631 174.106 174.700 0.062 0.000 0.999 37 T CA -0.595 61.534 62.100 0.048 0.000 0.952 37 T CB 0.197 69.080 68.868 0.025 0.000 0.938 37 T HN 0.499 nan 8.240 nan 0.000 0.444 38 I N 5.200 125.806 120.570 0.060 0.000 2.347 38 I HA 0.298 4.468 4.170 0.000 0.000 0.283 38 I C -2.406 173.762 176.117 0.086 0.000 1.058 38 I CA -2.481 58.872 61.300 0.088 0.000 1.202 38 I CB 1.378 39.449 38.000 0.119 0.000 1.386 38 I HN 0.388 nan 8.210 nan 0.000 0.475 39 P HA 0.049 nan 4.420 nan 0.000 0.256 39 P C 0.664 177.913 177.300 -0.085 0.000 1.689 39 P CA -0.437 62.584 63.100 -0.132 0.000 1.124 39 P CB -0.067 31.566 31.700 -0.113 0.000 1.766 40 W N 1.592 122.870 121.300 -0.037 0.000 2.721 40 W HA -0.069 4.591 4.660 0.000 0.000 0.245 40 W C 0.996 177.499 176.519 -0.026 0.000 1.276 40 W CA 0.742 58.067 57.345 -0.033 0.000 1.342 40 W CB -2.037 27.397 29.460 -0.044 0.000 1.135 40 W HN 0.177 nan 8.180 nan 0.000 0.654 41 T N 1.115 115.479 114.554 -0.317 0.000 2.737 41 T HA -0.263 4.087 4.350 0.000 0.000 0.265 41 T C 1.760 176.406 174.700 -0.091 0.000 1.038 41 T CA 2.209 64.148 62.100 -0.268 0.000 1.144 41 T CB -0.194 68.440 68.868 -0.390 0.000 0.866 41 T HN 0.308 nan 8.240 nan 0.000 0.434 42 E N -0.267 119.887 120.200 -0.077 0.000 2.158 42 E HA -0.020 4.330 4.350 0.000 0.000 0.191 42 E C 2.346 178.952 176.600 0.010 0.000 0.982 42 E CA 0.504 56.885 56.400 -0.031 0.000 0.823 42 E CB -0.178 29.502 29.700 -0.033 0.000 0.766 42 E HN 0.537 nan 8.360 nan 0.000 0.468 43 L N 0.388 121.634 121.223 0.039 0.000 2.046 43 L HA -0.174 4.166 4.340 0.000 0.000 0.208 43 L C 2.744 179.656 176.870 0.071 0.000 1.077 43 L CA 1.106 55.985 54.840 0.065 0.000 0.747 43 L CB -0.320 41.800 42.059 0.102 0.000 0.896 43 L HN 0.283 nan 8.230 nan 0.000 0.432 44 M N -0.868 118.789 119.600 0.095 0.000 2.346 44 M HA -0.206 4.274 4.480 0.000 0.000 0.263 44 M C 2.338 178.672 176.300 0.057 0.000 1.064 44 M CA 1.630 56.985 55.300 0.092 0.000 1.083 44 M CB -0.479 32.197 32.600 0.127 0.000 1.399 44 M HN 0.345 nan 8.290 nan 0.000 0.435 45 A N 0.371 123.215 122.820 0.040 0.000 1.874 45 A HA -0.089 4.232 4.320 0.000 0.000 0.214 45 A C 2.060 179.660 177.584 0.027 0.000 1.189 45 A CA 1.223 53.276 52.037 0.027 0.000 0.615 45 A CB -0.302 18.706 19.000 0.013 0.000 0.830 45 A HN 0.365 nan 8.150 nan 0.000 0.443 46 K N -0.709 119.707 120.400 0.026 0.000 2.486 46 K HA 0.154 4.474 4.320 0.000 0.000 0.194 46 K C -0.612 176.005 176.600 0.029 0.000 1.033 46 K CA 0.210 56.511 56.287 0.024 0.000 1.004 46 K CB 0.152 32.665 32.500 0.021 0.000 0.798 46 K HN 0.322 nan 8.250 nan 0.000 0.495 47 V N 1.557 121.493 119.914 0.036 0.000 2.735 47 V HA 0.145 4.265 4.120 0.000 0.000 0.310 47 V C -1.677 174.441 176.094 0.041 0.000 1.061 47 V CA -1.422 60.901 62.300 0.038 0.000 0.913 47 V CB 1.788 33.635 31.823 0.040 0.000 1.005 47 V HN -0.020 nan 8.190 nan 0.000 0.428 48 P HA 0.072 nan 4.420 nan 0.000 0.210 48 P C 1.357 178.680 177.300 0.038 0.000 1.173 48 P CA 1.222 64.347 63.100 0.040 0.000 0.898 48 P CB 0.400 32.127 31.700 0.043 0.000 0.758 49 G N 0.242 109.064 108.800 0.036 0.000 2.776 49 G HA2 -0.035 3.925 3.960 0.000 0.000 0.209 49 G HA3 -0.035 3.925 3.960 0.000 0.000 0.209 49 G C 0.759 175.676 174.900 0.029 0.000 1.145 49 G CA -0.259 44.860 45.100 0.031 0.000 0.791 49 G HN 0.226 nan 8.290 nan 0.000 0.530 50 L N 2.839 124.081 121.223 0.031 0.000 2.454 50 L HA 0.260 4.600 4.340 0.000 0.000 0.284 50 L C 0.099 176.987 176.870 0.030 0.000 1.139 50 L CA -0.433 54.422 54.840 0.026 0.000 0.911 50 L CB 0.471 42.551 42.059 0.035 0.000 1.262 50 L HN 0.132 nan 8.230 nan 0.000 0.453 51 S N 4.268 119.976 115.700 0.013 0.000 2.328 51 S HA 0.341 4.811 4.470 0.000 0.000 0.204 51 S C -1.429 173.154 174.600 -0.029 0.000 1.475 51 S CA -1.193 57.013 58.200 0.011 0.000 1.148 51 S CB 0.821 64.034 63.200 0.022 0.000 1.077 51 S HN 0.492 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.216 52 P C 1.286 178.480 177.300 -0.177 0.000 1.154 52 P CA 1.331 64.311 63.100 -0.201 0.000 0.865 52 P CB 0.230 31.670 31.700 -0.433 0.000 0.789 53 E N -0.033 120.069 120.200 -0.163 0.000 2.097 53 E HA -0.174 4.176 4.350 0.000 0.000 0.196 53 E C 2.183 178.807 176.600 0.041 0.000 1.000 53 E CA 1.667 58.022 56.400 -0.075 0.000 0.804 53 E CB -0.807 28.873 29.700 -0.034 0.000 0.740 53 E HN 0.258 nan 8.360 nan 0.000 0.454 54 A N 0.801 123.642 122.820 0.035 0.000 1.854 54 A HA -0.101 4.219 4.320 0.000 0.000 0.214 54 A C 2.456 180.095 177.584 0.092 0.000 1.192 54 A CA 1.063 53.139 52.037 0.064 0.000 0.611 54 A CB -0.782 18.250 19.000 0.053 0.000 0.832 54 A HN 0.209 nan 8.150 nan 0.000 0.442 55 L N -1.414 119.848 121.223 0.064 0.000 2.079 55 L HA -0.234 4.106 4.340 0.000 0.000 0.210 55 L C 2.631 179.580 176.870 0.131 0.000 1.081 55 L CA 1.575 56.452 54.840 0.062 0.000 0.752 55 L CB -0.517 41.476 42.059 -0.110 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.314 122.573 121.300 -0.069 0.000 2.374 56 W HA -0.242 4.418 4.660 0.000 0.000 0.288 56 W C 2.534 179.056 176.519 0.004 0.000 1.218 56 W CA 1.469 58.779 57.345 -0.059 0.000 1.245 56 W CB -0.002 29.372 29.460 -0.143 0.000 1.126 56 W HN 0.110 nan 8.180 nan 0.000 0.545 57 R N 0.999 121.542 120.500 0.072 0.000 2.100 57 R HA -0.060 4.281 4.340 0.000 0.000 0.220 57 R C 2.150 178.442 176.300 -0.014 0.000 1.091 57 R CA 1.747 57.844 56.100 -0.004 0.000 0.986 57 R CB -0.830 29.516 30.300 0.077 0.000 0.888 57 R HN 0.145 nan 8.270 nan 0.000 0.444 58 E N 0.328 120.569 120.200 0.068 0.000 2.070 58 E HA -0.141 4.210 4.350 0.000 0.000 0.197 58 E C 0.030 176.644 176.600 0.024 0.000 1.004 58 E CA 1.262 57.719 56.400 0.094 0.000 0.805 58 E CB -0.229 29.615 29.700 0.240 0.000 0.744 58 E HN 0.340 nan 8.360 nan 0.000 0.451 59 A N 2.236 125.080 122.820 0.039 0.000 2.343 59 A HA 0.081 4.401 4.320 0.000 0.000 0.305 59 A C -0.066 177.392 177.584 -0.210 0.000 1.308 59 A CA -0.372 51.619 52.037 -0.076 0.000 0.949 59 A CB 0.011 19.032 19.000 0.036 0.000 1.148 59 A HN 0.047 nan 8.150 nan 0.000 0.545 60 N N 2.987 121.590 118.700 -0.162 0.000 2.349 60 N HA -0.037 4.703 4.740 0.000 0.000 0.296 60 N C 1.383 176.752 175.510 -0.235 0.000 1.304 60 N CA 0.110 53.058 53.050 -0.171 0.000 1.051 60 N CB 0.439 38.860 38.487 -0.109 0.000 1.466 60 N HN 0.448 nan 8.380 nan 0.000 0.487 61 V N 1.574 121.262 119.914 -0.377 0.000 2.392 61 V HA -0.221 3.899 4.120 0.000 0.000 0.249 61 V C 2.223 178.192 176.094 -0.208 0.000 1.059 61 V CA 2.288 64.328 62.300 -0.433 0.000 1.051 61 V CB -0.643 30.722 31.823 -0.764 0.000 0.658 61 V HN 0.739 nan 8.190 nan 0.000 0.455 62 T N -1.904 112.564 114.554 -0.144 0.000 3.163 62 T HA 0.060 4.410 4.350 0.000 0.000 0.252 62 T C 0.690 175.347 174.700 -0.072 0.000 1.056 62 T CA -0.131 61.926 62.100 -0.072 0.000 0.947 62 T CB -0.438 68.409 68.868 -0.034 0.000 1.016 62 T HN 0.592 nan 8.240 nan 0.000 0.554 63 E N 3.708 123.850 120.200 -0.097 0.000 2.406 63 E HA -0.034 4.316 4.350 0.000 0.000 0.247 63 E C -0.047 176.507 176.600 -0.078 0.000 1.160 63 E CA -0.453 55.894 56.400 -0.087 0.000 0.950 63 E CB 0.044 29.679 29.700 -0.108 0.000 0.993 63 E HN 0.598 nan 8.360 nan 0.000 0.472 64 D N 4.233 124.597 120.400 -0.059 0.000 2.571 64 D HA -0.158 4.482 4.640 0.000 0.000 0.231 64 D C 1.330 177.592 176.300 -0.063 0.000 1.133 64 D CA 0.003 53.972 54.000 -0.051 0.000 0.862 64 D CB 1.005 41.782 40.800 -0.039 0.000 1.179 64 D HN 0.483 nan 8.370 nan 0.000 0.474 65 L N 2.671 123.857 121.223 -0.062 0.000 1.987 65 L HA -0.382 3.958 4.340 0.000 0.000 0.230 65 L C 2.893 179.720 176.870 -0.071 0.000 1.089 65 L CA 2.771 57.568 54.840 -0.072 0.000 0.802 65 L CB -0.817 41.207 42.059 -0.059 0.000 0.905 65 L HN 0.715 nan 8.230 nan 0.000 0.441 66 A N -0.940 121.848 122.820 -0.054 0.000 1.915 66 A HA -0.321 3.999 4.320 0.000 0.000 0.220 66 A C 2.402 179.954 177.584 -0.053 0.000 1.198 66 A CA 2.722 54.730 52.037 -0.047 0.000 0.647 66 A CB -0.995 17.983 19.000 -0.036 0.000 0.825 66 A HN 0.520 nan 8.150 nan 0.000 0.456 67 S N -1.042 114.623 115.700 -0.058 0.000 2.382 67 S HA -0.182 4.288 4.470 0.000 0.000 0.228 67 S C 1.937 176.483 174.600 -0.090 0.000 1.027 67 S CA 1.498 59.659 58.200 -0.066 0.000 0.991 67 S CB -0.439 62.724 63.200 -0.063 0.000 0.823 67 S HN 0.655 nan 8.310 nan 0.000 0.469 68 M N 1.329 120.866 119.600 -0.105 0.000 2.110 68 M HA -0.237 4.244 4.480 0.000 0.000 0.257 68 M C 1.674 177.896 176.300 -0.129 0.000 1.071 68 M CA 1.800 57.014 55.300 -0.143 0.000 1.096 68 M CB -0.485 32.014 32.600 -0.169 0.000 1.300 68 M HN 0.234 nan 8.290 nan 0.000 0.411 69 L N 0.997 122.168 121.223 -0.086 0.000 2.021 69 L HA -0.283 4.058 4.340 0.000 0.000 0.215 69 L C 1.915 178.821 176.870 0.060 0.000 1.074 69 L CA 2.344 57.198 54.840 0.023 0.000 0.760 69 L CB -1.716 40.358 42.059 0.026 0.000 0.889 69 L HN 0.412 nan 8.230 nan 0.000 0.433 70 N N 0.372 119.062 118.700 -0.018 0.000 2.094 70 N HA -0.219 4.521 4.740 0.000 0.000 0.191 70 N C 1.320 176.782 175.510 -0.080 0.000 1.023 70 N CA 1.495 54.522 53.050 -0.039 0.000 0.857 70 N CB -0.524 37.929 38.487 -0.057 0.000 1.013 70 N HN 0.499 nan 8.380 nan 0.000 0.426 71 R N -0.890 119.517 120.500 -0.154 0.000 3.298 71 R HA 0.055 4.396 4.340 0.000 0.000 0.249 71 R C 0.196 176.476 176.300 -0.034 0.000 1.563 71 R CA 0.229 56.142 56.100 -0.311 0.000 1.378 71 R CB -0.450 29.545 30.300 -0.508 0.000 1.250 71 R HN 0.531 nan 8.270 nan 0.000 0.580 72 Y N 0.093 120.333 120.300 -0.101 0.000 2.466 72 Y HA 0.137 4.687 4.550 0.000 0.000 0.285 72 Y C 0.914 176.846 175.900 0.053 0.000 1.088 72 Y CA -0.275 57.796 58.100 -0.048 0.000 1.039 72 Y CB 0.421 38.623 38.460 -0.431 0.000 1.363 72 Y HN 0.083 nan 8.280 nan 0.000 0.570 73 K N 0.645 120.913 120.400 -0.220 0.000 2.486 73 K HA 0.092 4.412 4.320 0.000 0.000 0.194 73 K C 0.922 177.554 176.600 0.054 0.000 1.033 73 K CA 0.731 56.892 56.287 -0.210 0.000 1.004 73 K CB 0.198 32.661 32.500 -0.062 0.000 0.798 73 K HN 0.305 nan 8.250 nan 0.000 0.495 74 L N 1.295 122.555 121.223 0.061 0.000 2.567 74 L HA 0.236 4.576 4.340 0.000 0.000 0.225 74 L C 0.333 177.263 176.870 0.100 0.000 1.119 74 L CA 0.238 55.175 54.840 0.162 0.000 0.871 74 L CB -0.026 42.096 42.059 0.104 0.000 1.036 74 L HN 0.239 nan 8.230 nan 0.000 0.459 75 I N 0.360 120.912 120.570 -0.030 0.000 2.301 75 I HA 0.019 4.190 4.170 0.000 0.000 0.292 75 I C 0.104 175.861 176.117 -0.600 0.000 1.046 75 I CA -0.815 60.381 61.300 -0.174 0.000 1.282 75 I CB 0.332 38.326 38.000 -0.010 0.000 1.409 75 I HN 0.050 nan 8.210 nan 0.000 0.484 76 Y N 8.764 128.458 120.300 -1.010 0.000 2.881 76 Y HA -0.079 4.471 4.550 0.000 0.000 0.335 76 Y C 0.019 175.487 175.900 -0.721 0.000 1.263 76 Y CA 0.477 57.700 58.100 -1.460 0.000 1.572 76 Y CB 0.265 38.205 38.460 -0.866 0.000 1.237 76 Y HN 0.366 nan 8.280 nan 0.000 0.568 77 K N 5.132 124.809 120.400 -1.206 0.000 2.221 77 K HA 0.223 4.543 4.320 0.000 0.000 0.258 77 K C -0.351 175.648 176.600 -1.001 0.000 0.944 77 K CA -0.592 55.236 56.287 -0.765 0.000 0.823 77 K CB 1.159 33.466 32.500 -0.321 0.000 1.113 77 K HN 0.778 nan 8.250 nan 0.000 0.431 78 T N -0.598 113.571 114.554 -0.641 0.000 2.831 78 T HA -0.023 4.327 4.350 0.000 0.000 0.291 78 T C 1.435 175.983 174.700 -0.253 0.000 0.981 78 T CA -0.117 61.736 62.100 -0.412 0.000 1.174 78 T CB 0.186 68.953 68.868 -0.169 0.000 0.929 78 T HN 0.533 nan 8.240 nan 0.000 0.532 79 S N 3.403 118.998 115.700 -0.173 0.000 2.349 79 S HA 0.086 4.557 4.470 0.000 0.000 0.216 79 S C 1.480 176.058 174.600 -0.037 0.000 1.033 79 S CA 0.387 58.545 58.200 -0.069 0.000 1.021 79 S CB -0.892 62.311 63.200 0.005 0.000 0.968 79 S HN 1.115 nan 8.310 nan 0.000 0.426 80 G N 1.996 110.789 108.800 -0.012 0.000 3.288 80 G HA2 0.460 4.420 3.960 0.000 0.000 0.337 80 G HA3 0.460 4.420 3.960 0.000 0.000 0.337 80 G C -0.588 174.307 174.900 -0.010 0.000 1.142 80 G CA -0.586 44.512 45.100 -0.003 0.000 1.304 80 G HN 0.309 nan 8.290 nan 0.000 0.475 81 T N 3.600 118.141 114.554 -0.022 0.000 2.800 81 T HA 0.179 4.529 4.350 0.000 0.000 0.266 81 T C 0.874 175.563 174.700 -0.017 0.000 0.939 81 T CA 0.095 62.179 62.100 -0.026 0.000 1.199 81 T CB -0.534 68.320 68.868 -0.023 0.000 0.899 81 T HN 0.503 nan 8.240 nan 0.000 0.555 82 L N 2.006 123.217 121.223 -0.020 0.000 2.469 82 L HA 0.965 5.305 4.340 0.000 0.000 0.253 82 L C 0.448 177.311 176.870 -0.011 0.000 1.143 82 L CA -0.542 54.294 54.840 -0.006 0.000 0.804 82 L CB 0.390 42.453 42.059 0.007 0.000 1.214 82 L HN 0.388 nan 8.230 nan 0.000 0.476 83 G N -0.029 108.782 108.800 0.019 0.000 2.612 83 G HA2 0.750 4.710 3.960 0.000 0.000 0.298 83 G HA3 0.750 4.710 3.960 0.000 0.000 0.298 83 G C -1.445 173.504 174.900 0.081 0.000 1.336 83 G CA -0.622 44.504 45.100 0.043 0.000 0.953 83 G HN 0.671 nan 8.290 nan 0.000 0.482 84 I N 1.408 122.059 120.570 0.136 0.000 2.563 84 I HA 0.343 4.513 4.170 0.000 0.000 0.281 84 I C 0.523 176.739 176.117 0.165 0.000 1.110 84 I CA -0.797 60.595 61.300 0.153 0.000 1.073 84 I CB 1.876 39.994 38.000 0.197 0.000 1.215 84 I HN 0.683 nan 8.210 nan 0.000 0.460 85 A N 8.115 131.005 122.820 0.116 0.000 2.537 85 A HA 0.521 4.841 4.320 0.000 0.000 0.260 85 A C -0.468 177.177 177.584 0.102 0.000 1.082 85 A CA 0.825 52.924 52.037 0.104 0.000 0.765 85 A CB -0.095 18.949 19.000 0.073 0.000 1.019 85 A HN 0.691 nan 8.150 nan 0.000 0.507 86 L N 1.265 122.558 121.223 0.116 0.000 2.540 86 L HA 0.763 5.103 4.340 0.000 0.000 0.256 86 L C -0.061 176.869 176.870 0.099 0.000 1.001 86 L CA -0.677 54.218 54.840 0.091 0.000 0.843 86 L CB 2.377 44.482 42.059 0.076 0.000 1.436 86 L HN 0.757 nan 8.230 nan 0.000 0.410 87 A N 0.870 123.733 122.820 0.072 0.000 2.414 87 A HA 0.654 4.974 4.320 0.000 0.000 0.306 87 A C -0.852 176.770 177.584 0.063 0.000 1.054 87 A CA -0.578 51.508 52.037 0.081 0.000 0.724 87 A CB 1.473 20.507 19.000 0.056 0.000 1.267 87 A HN 0.733 nan 8.150 nan 0.000 0.418 88 E N 2.552 122.808 120.200 0.094 0.000 2.373 88 E HA 0.460 4.810 4.350 0.000 0.000 0.263 88 E C -2.172 174.450 176.600 0.037 0.000 1.073 88 E CA -1.269 55.168 56.400 0.061 0.000 0.894 88 E CB -0.122 29.652 29.700 0.123 0.000 1.008 88 E HN 0.372 nan 8.360 nan 0.000 0.420 89 P HA -0.109 nan 4.420 nan 0.000 0.291 89 P C 0.842 178.148 177.300 0.009 0.000 1.287 89 P CA -0.037 63.077 63.100 0.023 0.000 0.767 89 P CB 0.281 32.004 31.700 0.038 0.000 1.290 90 V N -4.789 115.125 119.914 0.001 0.000 2.500 90 V HA -0.039 4.081 4.120 0.000 0.000 0.243 90 V C 0.956 176.977 176.094 -0.121 0.000 1.039 90 V CA 1.343 63.617 62.300 -0.044 0.000 1.053 90 V CB -1.092 30.711 31.823 -0.033 0.000 0.695 90 V HN 0.465 nan 8.190 nan 0.000 0.463 91 D N 0.837 121.184 120.400 -0.089 0.000 4.372 91 D HA -0.277 4.363 4.640 0.000 0.000 0.169 91 D C 0.274 175.999 176.300 -0.958 0.000 0.680 91 D CA 2.497 56.297 54.000 -0.333 0.000 1.152 91 D CB -1.188 39.454 40.800 -0.263 0.000 0.585 91 D HN 0.537 nan 8.370 nan 0.000 0.493 92 I N 4.719 124.688 120.570 -1.002 0.000 2.598 92 I HA 0.118 4.289 4.170 0.000 0.000 0.284 92 I C -1.334 174.514 176.117 -0.448 0.000 1.140 92 I CA -0.615 60.126 61.300 -0.931 0.000 1.420 92 I CB -0.005 37.615 38.000 -0.634 0.000 1.387 92 I HN 0.110 nan 8.210 nan 0.000 0.553 93 P HA 0.259 nan 4.420 nan 0.000 0.276 93 P C 0.196 177.422 177.300 -0.123 0.000 1.261 93 P CA -0.504 62.511 63.100 -0.142 0.000 0.800 93 P CB 0.994 32.662 31.700 -0.053 0.000 1.066 94 A N 0.942 123.714 122.820 -0.080 0.000 1.848 94 A HA 0.118 4.438 4.320 0.000 0.000 0.211 94 A C 1.065 178.615 177.584 -0.058 0.000 1.225 94 A CA 2.337 54.334 52.037 -0.067 0.000 0.637 94 A CB -1.108 17.863 19.000 -0.047 0.000 0.867 94 A HN 0.506 nan 8.150 nan 0.000 0.463 95 V N -3.872 116.018 119.914 -0.040 0.000 3.245 95 V HA 0.488 4.608 4.120 0.000 0.000 0.297 95 V C -1.337 174.744 176.094 -0.022 0.000 1.748 95 V CA -0.016 62.267 62.300 -0.030 0.000 0.993 95 V CB 1.361 33.166 31.823 -0.030 0.000 1.094 95 V HN 0.711 nan 8.190 nan 0.000 0.485 96 S N -0.186 115.503 115.700 -0.018 0.000 2.634 96 S HA 0.478 4.948 4.470 0.000 0.000 0.296 96 S C 0.424 175.015 174.600 -0.015 0.000 1.104 96 S CA 0.101 58.291 58.200 -0.017 0.000 0.920 96 S CB 1.898 65.089 63.200 -0.015 0.000 1.111 96 S HN 0.857 nan 8.310 nan 0.000 0.493 97 E N 1.319 121.510 120.200 -0.015 0.000 2.017 97 E HA -0.115 4.235 4.350 0.000 0.000 0.193 97 E C 1.440 178.033 176.600 -0.011 0.000 0.997 97 E CA 1.320 57.712 56.400 -0.013 0.000 0.804 97 E CB -0.414 29.279 29.700 -0.012 0.000 0.757 97 E HN 0.809 nan 8.360 nan 0.000 0.448 98 G N 0.545 109.339 108.800 -0.010 0.000 3.277 98 G HA2 0.003 3.963 3.960 0.000 0.000 0.243 98 G HA3 0.003 3.963 3.960 0.000 0.000 0.243 98 G C 0.121 175.017 174.900 -0.006 0.000 1.107 98 G CA 0.254 45.349 45.100 -0.008 0.000 0.771 98 G HN 0.249 nan 8.290 nan 0.000 0.544 99 S N 0.973 116.668 115.700 -0.007 0.000 2.506 99 S HA 0.313 4.783 4.470 0.000 0.000 0.291 99 S C 0.465 175.062 174.600 -0.006 0.000 1.230 99 S CA -0.247 57.951 58.200 -0.004 0.000 1.107 99 S CB 0.237 63.435 63.200 -0.003 0.000 0.942 99 S HN 0.204 nan 8.310 nan 0.000 0.502 100 M N 3.077 122.674 119.600 -0.005 0.000 2.227 100 M HA 0.112 4.592 4.480 0.000 0.000 0.349 100 M C 0.205 176.495 176.300 -0.016 0.000 1.443 100 M CA -0.085 55.208 55.300 -0.011 0.000 1.110 100 M CB 0.109 32.703 32.600 -0.010 0.000 1.773 100 M HN 0.586 nan 8.290 nan 0.000 0.463 101 Q N 2.493 122.280 119.800 -0.022 0.000 2.244 101 Q HA 0.182 4.522 4.340 0.000 0.000 0.278 101 Q C -0.750 175.227 176.000 -0.039 0.000 1.093 101 Q CA 0.114 55.901 55.803 -0.027 0.000 0.916 101 Q CB -0.082 28.638 28.738 -0.029 0.000 1.159 101 Q HN 0.481 nan 8.270 nan 0.000 0.384 102 V N 2.431 122.323 119.914 -0.038 0.000 2.432 102 V HA 0.154 4.274 4.120 0.000 0.000 0.275 102 V C 0.092 176.147 176.094 -0.066 0.000 1.043 102 V CA -0.802 61.466 62.300 -0.054 0.000 0.925 102 V CB 1.411 33.207 31.823 -0.045 0.000 0.985 102 V HN 0.698 nan 8.190 nan 0.000 0.466 103 D N 3.002 123.352 120.400 -0.084 0.000 2.304 103 D HA 0.542 5.182 4.640 0.000 0.000 0.247 103 D C 0.931 177.167 176.300 -0.106 0.000 1.089 103 D CA 0.344 54.292 54.000 -0.087 0.000 0.910 103 D CB 1.911 42.657 40.800 -0.091 0.000 1.199 103 D HN 0.587 nan 8.370 nan 0.000 0.426 104 A N 2.050 124.797 122.820 -0.121 0.000 1.854 104 A HA -0.111 4.209 4.320 0.000 0.000 0.214 104 A C 2.074 179.503 177.584 -0.258 0.000 1.192 104 A CA 1.750 53.672 52.037 -0.193 0.000 0.611 104 A CB -0.891 17.992 19.000 -0.196 0.000 0.832 104 A HN 0.607 nan 8.150 nan 0.000 0.442 105 S N -0.470 115.119 115.700 -0.185 0.000 2.461 105 S HA 0.031 4.501 4.470 0.000 0.000 0.228 105 S C 0.810 175.412 174.600 0.002 0.000 1.005 105 S CA 0.639 58.776 58.200 -0.105 0.000 0.942 105 S CB -0.201 63.005 63.200 0.010 0.000 0.776 105 S HN 0.458 nan 8.310 nan 0.000 0.514 106 K N 2.677 123.055 120.400 -0.036 0.000 2.385 106 K HA 0.340 4.660 4.320 0.000 0.000 0.229 106 K C -0.888 175.672 176.600 -0.068 0.000 1.089 106 K CA -0.355 55.917 56.287 -0.026 0.000 1.060 106 K CB 1.209 33.666 32.500 -0.071 0.000 1.698 106 K HN 0.322 nan 8.250 nan 0.000 0.469 107 V N -0.787 119.128 119.914 0.002 0.000 2.270 107 V HA 0.218 4.338 4.120 0.000 0.000 0.263 107 V C 0.153 176.312 176.094 0.110 0.000 1.066 107 V CA -0.971 61.332 62.300 0.006 0.000 0.857 107 V CB -0.586 31.235 31.823 -0.004 0.000 1.099 107 V HN 0.560 nan 8.190 nan 0.000 0.476 108 H N 6.563 125.634 119.070 0.002 0.000 3.064 108 H HA 0.075 4.631 4.556 0.000 0.000 0.329 108 H C -0.997 174.333 175.328 0.003 0.000 1.020 108 H CA -0.786 55.265 56.048 0.004 0.000 1.402 108 H CB 1.329 31.092 29.762 0.002 0.000 1.379 108 H HN 0.491 nan 8.280 nan 0.000 0.594 109 P HA -0.122 nan 4.420 nan 0.000 0.222 109 P C 0.676 178.000 177.300 0.039 0.000 1.142 109 P CA 0.789 63.915 63.100 0.043 0.000 0.788 109 P CB 0.092 31.795 31.700 0.005 0.000 0.767 110 G N 0.948 109.784 108.800 0.059 0.000 2.394 110 G HA2 0.278 4.238 3.960 0.000 0.000 0.298 110 G HA3 0.278 4.238 3.960 0.000 0.000 0.298 110 G C 0.144 175.075 174.900 0.051 0.000 1.087 110 G CA -0.378 44.750 45.100 0.047 0.000 1.035 110 G HN -0.033 nan 8.290 nan 0.000 0.420 111 V N 5.861 125.795 119.914 0.033 0.000 2.357 111 V HA -0.078 4.042 4.120 0.000 0.000 0.239 111 V C 1.387 177.498 176.094 0.028 0.000 1.168 111 V CA -0.148 62.169 62.300 0.029 0.000 1.262 111 V CB -0.700 31.136 31.823 0.022 0.000 1.314 111 V HN 0.733 nan 8.190 nan 0.000 0.486 112 I N 2.532 123.120 120.570 0.031 0.000 2.546 112 I HA 0.348 4.518 4.170 0.000 0.000 0.275 112 I C 0.365 176.495 176.117 0.021 0.000 1.032 112 I CA 0.609 61.925 61.300 0.026 0.000 2.040 112 I CB -1.722 36.293 38.000 0.025 0.000 1.464 112 I HN 0.643 nan 8.210 nan 0.000 0.865 113 S N 0.334 116.048 115.700 0.024 0.000 2.597 113 S HA 0.743 5.213 4.470 0.000 0.000 0.274 113 S C -0.377 174.242 174.600 0.032 0.000 1.132 113 S CA -0.472 57.745 58.200 0.028 0.000 0.835 113 S CB 1.122 64.342 63.200 0.033 0.000 1.092 113 S HN 0.630 nan 8.310 nan 0.000 0.457 114 G N -0.008 108.813 108.800 0.035 0.000 2.601 114 G HA2 0.578 4.538 3.960 0.000 0.000 0.317 114 G HA3 0.578 4.538 3.960 0.000 0.000 0.317 114 G C 0.498 175.434 174.900 0.060 0.000 1.246 114 G CA -0.938 44.186 45.100 0.039 0.000 1.012 114 G HN 0.737 nan 8.290 nan 0.000 0.494 115 L N 0.341 121.603 121.223 0.065 0.000 1.994 115 L HA -0.093 4.247 4.340 0.000 0.000 0.208 115 L C 2.057 178.998 176.870 0.118 0.000 1.071 115 L CA 2.498 57.400 54.840 0.104 0.000 0.745 115 L CB -0.857 41.253 42.059 0.085 0.000 0.892 115 L HN 0.776 nan 8.230 nan 0.000 0.431 116 N N -1.429 117.305 118.700 0.057 0.000 2.314 116 N HA -0.021 4.719 4.740 0.000 0.000 0.200 116 N C 0.051 175.555 175.510 -0.010 0.000 1.135 116 N CA -0.097 52.958 53.050 0.009 0.000 0.835 116 N CB -0.104 38.384 38.487 0.001 0.000 0.989 116 N HN 0.041 nan 8.380 nan 0.000 0.478 117 S N 1.842 117.551 115.700 0.015 0.000 2.499 117 S HA 0.295 4.765 4.470 0.000 0.000 0.275 117 S C -2.232 172.369 174.600 0.002 0.000 1.257 117 S CA -0.931 57.274 58.200 0.008 0.000 1.050 117 S CB 0.749 63.961 63.200 0.020 0.000 0.937 117 S HN 0.182 nan 8.310 nan 0.000 0.490 118 P HA 0.423 nan 4.420 nan 0.000 0.269 118 P C -1.017 176.287 177.300 0.007 0.000 1.209 118 P CA -0.064 63.025 63.100 -0.017 0.000 0.776 118 P CB 0.510 32.197 31.700 -0.022 0.000 0.876 119 A N 1.446 124.278 122.820 0.020 0.000 2.594 119 A HA 0.641 4.961 4.320 0.000 0.000 0.296 119 A C -0.842 176.765 177.584 0.038 0.000 1.056 119 A CA -0.445 51.609 52.037 0.028 0.000 0.693 119 A CB 0.621 19.646 19.000 0.042 0.000 1.278 119 A HN 0.739 nan 8.150 nan 0.000 0.408 120 c N 0.210 118.824 118.600 0.024 0.000 3.080 120 c HA 0.930 5.500 4.570 0.000 0.000 0.307 120 c C -0.501 173.594 174.090 0.009 0.000 1.311 120 c CA -0.881 55.465 56.329 0.028 0.000 1.533 120 c CB 0.837 43.356 42.510 0.016 0.000 1.970 120 c HN 0.955 nan 8.230 nan 0.000 0.467 121 M N 1.922 121.528 119.600 0.010 0.000 2.436 121 M HA 0.494 4.974 4.480 0.000 0.000 0.331 121 M C -0.666 175.625 176.300 -0.015 0.000 1.135 121 M CA -0.521 54.771 55.300 -0.014 0.000 0.987 121 M CB 1.764 34.346 32.600 -0.029 0.000 1.687 121 M HN 0.645 nan 8.290 nan 0.000 0.445 122 L N 1.577 122.782 121.223 -0.030 0.000 2.455 122 L HA 0.111 4.452 4.340 0.000 0.000 0.272 122 L C 1.157 178.014 176.870 -0.021 0.000 1.174 122 L CA -0.130 54.693 54.840 -0.028 0.000 0.869 122 L CB 0.843 42.880 42.059 -0.037 0.000 1.130 122 L HN 0.864 nan 8.230 nan 0.000 0.474 123 S N 2.161 117.852 115.700 -0.016 0.000 2.355 123 S HA -0.171 4.299 4.470 0.000 0.000 0.222 123 S C 2.079 176.674 174.600 -0.009 0.000 1.031 123 S CA 1.096 59.294 58.200 -0.004 0.000 0.993 123 S CB -0.172 63.019 63.200 -0.016 0.000 0.859 123 S HN 0.831 nan 8.310 nan 0.000 0.453 124 A N 2.852 125.659 122.820 -0.021 0.000 1.896 124 A HA -0.154 4.167 4.320 0.000 0.000 0.220 124 A C 0.480 178.050 177.584 -0.023 0.000 1.206 124 A CA 2.104 54.127 52.037 -0.025 0.000 0.647 124 A CB -1.834 17.151 19.000 -0.026 0.000 0.828 124 A HN 0.536 nan 8.150 nan 0.000 0.455 125 P HA -0.035 nan 4.420 nan 0.000 0.217 125 P C 1.756 179.033 177.300 -0.039 0.000 1.154 125 P CA 0.969 64.046 63.100 -0.039 0.000 0.841 125 P CB -0.182 31.484 31.700 -0.057 0.000 0.790 126 L N 0.924 122.127 121.223 -0.033 0.000 2.013 126 L HA -0.180 4.160 4.340 0.000 0.000 0.212 126 L C 2.578 179.488 176.870 0.065 0.000 1.073 126 L CA 2.200 57.030 54.840 -0.017 0.000 0.753 126 L CB -1.464 40.597 42.059 0.004 0.000 0.890 126 L HN -0.122 nan 8.230 nan 0.000 0.432 127 E N -0.113 120.142 120.200 0.091 0.000 2.047 127 E HA -0.279 4.071 4.350 0.000 0.000 0.191 127 E C 2.301 179.010 176.600 0.182 0.000 0.987 127 E CA 1.693 58.197 56.400 0.174 0.000 0.799 127 E CB -0.290 29.451 29.700 0.068 0.000 0.752 127 E HN 0.456 nan 8.360 nan 0.000 0.449 128 K N -0.150 120.286 120.400 0.059 0.000 2.281 128 K HA -0.222 4.098 4.320 0.000 0.000 0.203 128 K C 2.174 178.821 176.600 0.077 0.000 1.046 128 K CA 1.488 57.784 56.287 0.016 0.000 0.938 128 K CB -0.023 32.459 32.500 -0.031 0.000 0.737 128 K HN 0.180 nan 8.250 nan 0.000 0.458 129 Q N 0.062 119.901 119.800 0.064 0.000 2.123 129 Q HA -0.003 4.337 4.340 0.000 0.000 0.196 129 Q C 2.019 178.070 176.000 0.084 0.000 0.958 129 Q CA 0.605 56.427 55.803 0.031 0.000 0.841 129 Q CB 0.162 28.829 28.738 -0.119 0.000 0.915 129 Q HN 0.295 nan 8.270 nan 0.000 0.455 130 L N -0.445 120.863 121.223 0.143 0.000 1.961 130 L HA -0.116 4.224 4.340 0.000 0.000 0.210 130 L C 0.696 177.584 176.870 0.030 0.000 1.072 130 L CA 0.879 55.792 54.840 0.123 0.000 0.749 130 L CB -0.233 41.963 42.059 0.229 0.000 0.889 130 L HN 0.182 nan 8.230 nan 0.000 0.432 131 F N -0.577 119.440 119.950 0.112 0.000 2.733 131 F HA 0.024 4.551 4.527 0.000 0.000 0.344 131 F C 1.285 177.146 175.800 0.101 0.000 1.179 131 F CA -0.391 57.681 58.000 0.121 0.000 1.316 131 F CB -0.878 38.188 39.000 0.110 0.000 1.577 131 F HN 0.029 nan 8.300 nan 0.000 0.591 132 Y N 0.219 120.528 120.300 0.015 0.000 2.286 132 Y HA -0.011 4.539 4.550 0.000 0.000 0.293 132 Y C 0.429 176.324 175.900 -0.008 0.000 1.124 132 Y CA 0.409 58.459 58.100 -0.084 0.000 1.178 132 Y CB -0.487 37.787 38.460 -0.310 0.000 1.010 132 Y HN 0.135 nan 8.280 nan 0.000 0.536 133 Y N 1.372 121.647 120.300 -0.042 0.000 2.336 133 Y HA 0.314 4.864 4.550 0.000 0.000 0.331 133 Y C 0.102 175.964 175.900 -0.064 0.000 1.211 133 Y CA -0.488 57.513 58.100 -0.166 0.000 1.346 133 Y CB 0.503 38.900 38.460 -0.106 0.000 1.271 133 Y HN -0.191 nan 8.280 nan 0.000 0.538 134 I N 1.300 121.883 120.570 0.021 0.000 2.648 134 I HA 0.724 4.894 4.170 0.000 0.000 0.304 134 I C 0.545 176.655 176.117 -0.011 0.000 1.009 134 I CA -0.303 60.942 61.300 -0.092 0.000 1.114 134 I CB 1.986 39.849 38.000 -0.228 0.000 1.293 134 I HN 0.819 nan 8.210 nan 0.000 0.449 135 G N 2.325 111.118 108.800 -0.010 0.000 2.791 135 G HA2 0.498 4.458 3.960 0.000 0.000 0.158 135 G HA3 0.498 4.458 3.960 0.000 0.000 0.158 135 G C -1.376 173.540 174.900 0.027 0.000 1.193 135 G CA -0.261 44.856 45.100 0.030 0.000 1.032 135 G HN 0.421 nan 8.290 nan 0.000 0.557 136 T N 1.687 116.267 114.554 0.044 0.000 3.089 136 T HA 0.275 4.625 4.350 0.000 0.000 0.340 136 T C 0.996 175.724 174.700 0.047 0.000 1.008 136 T CA -0.570 61.557 62.100 0.045 0.000 1.096 136 T CB 1.351 70.244 68.868 0.041 0.000 1.024 136 T HN 0.254 nan 8.240 nan 0.000 0.477 137 M N 1.687 121.314 119.600 0.045 0.000 2.213 137 M HA 0.108 4.588 4.480 0.000 0.000 0.263 137 M C 0.493 176.822 176.300 0.049 0.000 1.062 137 M CA 1.318 56.634 55.300 0.027 0.000 1.105 137 M CB -0.743 31.891 32.600 0.057 0.000 1.385 137 M HN 0.510 nan 8.290 nan 0.000 0.417 138 L N 1.360 122.629 121.223 0.076 0.000 2.324 138 L HA 0.339 4.679 4.340 0.000 0.000 0.274 138 L C -1.978 174.982 176.870 0.150 0.000 1.012 138 L CA -1.843 53.069 54.840 0.120 0.000 0.859 138 L CB 0.966 43.096 42.059 0.118 0.000 1.224 138 L HN -0.042 nan 8.230 nan 0.000 0.429 139 P HA 0.021 nan 4.420 nan 0.000 0.288 139 P C -0.368 176.971 177.300 0.064 0.000 1.291 139 P CA -0.247 62.905 63.100 0.086 0.000 0.766 139 P CB 1.033 32.754 31.700 0.036 0.000 1.242 140 N N -1.546 117.154 118.700 0.000 0.000 2.321 140 N HA 0.054 4.794 4.740 0.000 0.000 0.242 140 N C -0.257 175.205 175.510 -0.081 0.000 1.141 140 N CA -0.118 52.919 53.050 -0.021 0.000 0.864 140 N CB -0.549 37.928 38.487 -0.017 0.000 1.100 140 N HN 0.397 nan 8.380 nan 0.000 0.510 141 T N -2.391 112.086 114.554 -0.127 0.000 2.918 141 T HA 0.178 4.528 4.350 0.000 0.000 0.302 141 T C 1.527 176.080 174.700 -0.245 0.000 1.045 141 T CA -0.382 61.597 62.100 -0.200 0.000 1.114 141 T CB 1.189 69.870 68.868 -0.310 0.000 0.965 141 T HN 0.119 nan 8.240 nan 0.000 0.540 142 R N 2.163 122.508 120.500 -0.260 0.000 2.136 142 R HA -0.101 4.239 4.340 0.000 0.000 0.242 142 R C -0.402 175.543 176.300 -0.592 0.000 1.131 142 R CA 2.125 57.959 56.100 -0.442 0.000 0.937 142 R CB -1.840 28.303 30.300 -0.262 0.000 0.863 142 R HN 0.673 nan 8.270 nan 0.000 0.435 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.824 178.129 177.300 0.009 0.000 1.178 143 P CA 1.787 64.853 63.100 -0.056 0.000 0.915 143 P CB -0.404 31.320 31.700 0.039 0.000 0.788 144 H N -0.364 118.657 119.070 -0.082 0.000 2.321 144 H HA -0.035 4.521 4.556 0.000 0.000 0.300 144 H C 2.345 177.639 175.328 -0.057 0.000 1.087 144 H CA 0.955 56.995 56.048 -0.014 0.000 1.319 144 H CB -0.418 29.407 29.762 0.104 0.000 1.379 144 H HN 0.143 nan 8.280 nan 0.000 0.501 145 S N 0.347 116.052 115.700 0.007 0.000 2.462 145 S HA -0.167 4.303 4.470 0.000 0.000 0.243 145 S C 1.279 175.901 174.600 0.037 0.000 1.003 145 S CA 1.008 59.189 58.200 -0.031 0.000 0.970 145 S CB -0.232 62.890 63.200 -0.129 0.000 0.762 145 S HN 0.396 nan 8.310 nan 0.000 0.510 146 Y N -0.122 120.165 120.300 -0.022 0.000 2.448 146 Y HA 0.186 4.736 4.550 0.000 0.000 0.289 146 Y C 2.132 177.978 175.900 -0.091 0.000 1.114 146 Y CA -0.532 57.560 58.100 -0.012 0.000 1.235 146 Y CB -0.508 37.977 38.460 0.042 0.000 1.045 146 Y HN 0.090 nan 8.280 nan 0.000 0.554 147 V N -1.865 117.902 119.914 -0.245 0.000 2.599 147 V HA 0.027 4.148 4.120 0.000 0.000 0.237 147 V C 0.372 176.089 176.094 -0.629 0.000 1.081 147 V CA 0.391 62.204 62.300 -0.812 0.000 1.107 147 V CB -0.332 30.641 31.823 -1.416 0.000 0.808 147 V HN -0.150 nan 8.190 nan 0.000 0.486 148 F N -1.304 118.530 119.950 -0.195 0.000 2.368 148 F HA 0.493 5.021 4.527 0.000 0.000 0.315 148 F C -0.211 175.528 175.800 -0.102 0.000 1.145 148 F CA -1.173 56.752 58.000 -0.125 0.000 1.095 148 F CB 0.088 39.045 39.000 -0.071 0.000 1.286 148 F HN -0.037 nan 8.300 nan 0.000 0.530 149 Y N 1.238 121.676 120.300 0.230 0.000 2.341 149 Y HA 0.184 4.734 4.550 0.000 0.000 0.340 149 Y C 0.216 176.190 175.900 0.123 0.000 0.997 149 Y CA -0.748 57.433 58.100 0.134 0.000 1.149 149 Y CB 0.514 39.032 38.460 0.097 0.000 1.171 149 Y HN 0.352 nan 8.280 nan 0.000 0.494 150 Q N 3.479 123.434 119.800 0.259 0.000 2.618 150 Q HA -0.107 4.233 4.340 0.000 0.000 0.344 150 Q C -0.828 175.268 176.000 0.159 0.000 1.073 150 Q CA 0.673 56.581 55.803 0.176 0.000 1.105 150 Q CB 0.327 29.147 28.738 0.137 0.000 1.028 150 Q HN 0.551 nan 8.270 nan 0.000 0.397 151 L N 3.295 124.596 121.223 0.131 0.000 2.354 151 L HA 0.575 4.916 4.340 0.000 0.000 0.269 151 L C -0.783 176.136 176.870 0.081 0.000 1.005 151 L CA -0.393 54.514 54.840 0.111 0.000 0.819 151 L CB 1.870 44.008 42.059 0.131 0.000 1.311 151 L HN 0.612 nan 8.230 nan 0.000 0.423 152 R N 4.542 125.079 120.500 0.062 0.000 2.518 152 R HA 0.696 5.036 4.340 0.000 0.000 0.296 152 R C -1.935 174.370 176.300 0.007 0.000 1.080 152 R CA -0.350 55.767 56.100 0.029 0.000 0.922 152 R CB 0.839 31.146 30.300 0.013 0.000 1.184 152 R HN 0.934 nan 8.270 nan 0.000 0.445 153 C N 0.374 119.673 119.300 -0.002 0.000 3.318 153 C HA 0.543 5.003 4.460 0.000 0.000 0.322 153 C C -0.200 174.776 174.990 -0.023 0.000 1.398 153 C CA -1.241 57.768 59.018 -0.014 0.000 1.339 153 C CB 1.388 29.168 27.740 0.066 0.000 1.668 153 C HN 0.766 nan 8.230 nan 0.000 0.462 154 H N 1.208 120.321 119.070 0.071 0.000 3.001 154 H HA 0.424 4.980 4.556 0.000 0.000 0.334 154 H C -0.085 175.388 175.328 0.241 0.000 1.034 154 H CA 1.055 57.181 56.048 0.131 0.000 1.420 154 H CB 0.559 30.406 29.762 0.141 0.000 1.405 154 H HN 0.616 nan 8.280 nan 0.000 0.593 155 L N 0.120 121.565 121.223 0.371 0.000 2.598 155 L HA 0.693 5.033 4.340 0.000 0.000 0.246 155 L C -0.506 176.443 176.870 0.132 0.000 1.124 155 L CA -1.069 53.987 54.840 0.360 0.000 1.019 155 L CB 0.804 42.955 42.059 0.153 0.000 1.583 155 L HN 0.607 nan 8.230 nan 0.000 0.386 156 S N -1.279 114.407 115.700 -0.023 0.000 2.556 156 S HA 0.779 5.249 4.470 0.000 0.000 0.280 156 S C -1.545 172.950 174.600 -0.176 0.000 1.141 156 S CA -0.622 57.438 58.200 -0.232 0.000 0.883 156 S CB 0.924 63.931 63.200 -0.323 0.000 1.103 156 S HN 1.498 nan 8.310 nan 0.000 0.453 157 Y N -0.679 119.535 120.300 -0.142 0.000 2.665 157 Y HA 0.903 5.453 4.550 0.000 0.000 0.336 157 Y C -1.253 174.499 175.900 -0.247 0.000 1.085 157 Y CA -1.970 56.016 58.100 -0.189 0.000 1.096 157 Y CB 0.680 39.028 38.460 -0.186 0.000 1.301 157 Y HN 0.568 nan 8.280 nan 0.000 0.493 158 V N 1.535 121.476 119.914 0.044 0.000 2.357 158 V HA 0.765 4.885 4.120 0.000 0.000 0.281 158 V C 0.108 176.130 176.094 -0.120 0.000 1.015 158 V CA -0.873 61.374 62.300 -0.088 0.000 0.827 158 V CB 0.250 31.965 31.823 -0.180 0.000 1.018 158 V HN 1.109 nan 8.190 nan 0.000 0.432 159 A N 4.940 127.726 122.820 -0.057 0.000 2.371 159 A HA 0.832 5.152 4.320 0.000 0.000 0.257 159 A C -0.770 176.782 177.584 -0.054 0.000 1.089 159 A CA -0.140 51.814 52.037 -0.139 0.000 0.794 159 A CB 0.934 19.855 19.000 -0.131 0.000 1.029 159 A HN 0.826 nan 8.150 nan 0.000 0.488 160 L N 1.241 122.432 121.223 -0.054 0.000 2.472 160 L HA 0.717 5.057 4.340 0.000 0.000 0.260 160 L C -0.465 176.409 176.870 0.006 0.000 0.963 160 L CA 0.203 55.064 54.840 0.034 0.000 0.829 160 L CB 2.281 44.424 42.059 0.140 0.000 1.348 160 L HN 0.676 nan 8.230 nan 0.000 0.408 161 S N 4.789 120.510 115.700 0.035 0.000 2.706 161 S HA 0.822 5.292 4.470 0.000 0.000 0.270 161 S C -1.253 173.386 174.600 0.064 0.000 1.163 161 S CA -0.560 57.659 58.200 0.032 0.000 1.042 161 S CB 0.372 63.575 63.200 0.006 0.000 1.079 161 S HN 0.426 nan 8.310 nan 0.000 0.474 162 I N 3.134 123.770 120.570 0.110 0.000 3.067 162 I HA 0.549 4.719 4.170 0.000 0.000 0.312 162 I C 0.740 176.901 176.117 0.074 0.000 1.073 162 I CA -0.889 60.460 61.300 0.082 0.000 1.016 162 I CB 1.122 39.149 38.000 0.044 0.000 1.227 162 I HN 0.767 nan 8.210 nan 0.000 0.456 163 N N 2.017 120.729 118.700 0.020 0.000 2.678 163 N HA -0.188 4.553 4.740 0.000 0.000 0.249 163 N C 0.605 176.123 175.510 0.014 0.000 1.119 163 N CA 1.418 54.469 53.050 0.001 0.000 0.718 163 N CB -1.146 37.331 38.487 -0.018 0.000 1.060 163 N HN 1.143 nan 8.380 nan 0.000 0.552 164 G N 0.326 109.138 108.800 0.020 0.000 2.422 164 G HA2 -0.239 3.722 3.960 0.000 0.000 0.290 164 G HA3 -0.239 3.722 3.960 0.000 0.000 0.290 164 G C 0.143 175.049 174.900 0.011 0.000 1.059 164 G CA 0.193 45.301 45.100 0.012 0.000 1.242 164 G HN 0.525 nan 8.290 nan 0.000 0.520 165 D N -1.466 118.942 120.400 0.014 0.000 3.067 165 D HA -0.186 4.454 4.640 0.000 0.000 0.216 165 D C 1.642 177.946 176.300 0.007 0.000 1.162 165 D CA 1.810 55.809 54.000 -0.001 0.000 0.960 165 D CB -0.377 40.413 40.800 -0.016 0.000 1.129 165 D HN 0.745 nan 8.370 nan 0.000 0.408 166 K N -0.826 119.595 120.400 0.035 0.000 2.418 166 K HA 0.072 4.392 4.320 0.000 0.000 0.195 166 K C 0.582 177.254 176.600 0.120 0.000 1.035 166 K CA 0.349 56.663 56.287 0.045 0.000 1.003 166 K CB 0.520 33.036 32.500 0.028 0.000 0.793 166 K HN 0.173 nan 8.250 nan 0.000 0.494 167 F N 1.550 121.474 119.950 -0.043 0.000 2.596 167 F HA 0.176 4.703 4.527 0.000 0.000 0.311 167 F C -1.923 173.876 175.800 -0.001 0.000 1.116 167 F CA -0.690 57.294 58.000 -0.025 0.000 0.957 167 F CB 1.559 40.516 39.000 -0.071 0.000 1.250 167 F HN -0.119 nan 8.300 nan 0.000 0.444 168 Q N 4.922 124.300 119.800 -0.703 0.000 2.435 168 Q HA 0.435 4.775 4.340 0.000 0.000 0.282 168 Q C -2.333 173.435 176.000 -0.387 0.000 1.020 168 Q CA -1.053 54.513 55.803 -0.395 0.000 0.820 168 Q CB 3.072 31.689 28.738 -0.202 0.000 1.436 168 Q HN 0.708 nan 8.270 nan 0.000 0.395 169 Y N 0.398 120.536 120.300 -0.270 0.000 2.536 169 Y HA 0.687 5.237 4.550 0.000 0.000 0.347 169 Y C -1.516 174.301 175.900 -0.138 0.000 1.000 169 Y CA -0.583 57.424 58.100 -0.155 0.000 1.051 169 Y CB 2.799 41.280 38.460 0.036 0.000 1.259 169 Y HN 0.760 nan 8.280 nan 0.000 0.468 170 T N 3.743 117.741 114.554 -0.927 0.000 2.949 170 T HA 0.403 4.753 4.350 0.000 0.000 0.300 170 T C -0.185 173.953 174.700 -0.937 0.000 0.988 170 T CA -0.418 61.212 62.100 -0.784 0.000 0.993 170 T CB 1.105 69.708 68.868 -0.441 0.000 0.984 170 T HN 0.949 nan 8.240 nan 0.000 0.442 171 G N 2.205 110.581 108.800 -0.706 0.000 3.506 171 G HA2 0.507 4.467 3.960 0.000 0.000 0.268 171 G HA3 0.507 4.467 3.960 0.000 0.000 0.268 171 G C 0.405 175.230 174.900 -0.126 0.000 0.959 171 G CA -0.571 44.317 45.100 -0.354 0.000 1.823 171 G HN 0.982 nan 8.290 nan 0.000 0.615 172 A N 2.961 125.712 122.820 -0.115 0.000 2.451 172 A HA 0.667 4.987 4.320 0.000 0.000 0.266 172 A C 0.356 177.886 177.584 -0.091 0.000 1.119 172 A CA -0.097 51.913 52.037 -0.044 0.000 0.786 172 A CB -0.033 18.936 19.000 -0.052 0.000 1.061 172 A HN 0.970 nan 8.150 nan 0.000 0.503 173 M N 1.848 121.411 119.600 -0.061 0.000 2.470 173 M HA 0.698 5.178 4.480 0.000 0.000 0.285 173 M C -0.696 175.651 176.300 0.080 0.000 1.213 173 M CA -0.432 54.814 55.300 -0.091 0.000 0.901 173 M CB 1.954 34.598 32.600 0.073 0.000 1.718 173 M HN 0.489 nan 8.290 nan 0.000 0.469 174 T N -0.454 114.084 114.554 -0.026 0.000 2.883 174 T HA 0.478 4.828 4.350 0.000 0.000 0.284 174 T C 0.965 175.770 174.700 0.176 0.000 1.041 174 T CA 0.105 62.283 62.100 0.130 0.000 1.007 174 T CB 1.494 70.241 68.868 -0.202 0.000 1.220 174 T HN 0.938 nan 8.240 nan 0.000 0.552 175 S N 0.272 115.755 115.700 -0.362 0.000 2.547 175 S HA 0.067 4.537 4.470 0.000 0.000 0.235 175 S C 1.253 175.946 174.600 0.154 0.000 0.980 175 S CA 0.717 58.690 58.200 -0.378 0.000 0.941 175 S CB -0.286 62.522 63.200 -0.654 0.000 0.763 175 S HN 0.683 nan 8.310 nan 0.000 0.532 176 K N -0.298 120.270 120.400 0.281 0.000 2.462 176 K HA 0.321 4.641 4.320 0.000 0.000 0.201 176 K C -0.186 176.773 176.600 0.598 0.000 1.268 176 K CA 0.191 56.758 56.287 0.468 0.000 0.933 176 K CB 0.792 33.496 32.500 0.340 0.000 1.162 176 K HN 0.585 nan 8.250 nan 0.000 0.527 177 F N -0.372 119.696 119.950 0.196 0.000 2.654 177 F HA 0.554 5.081 4.527 0.000 0.000 0.308 177 F C -1.558 173.913 175.800 -0.548 0.000 1.108 177 F CA -1.685 56.184 58.000 -0.218 0.000 0.957 177 F CB 0.921 39.835 39.000 -0.144 0.000 1.309 177 F HN -0.294 nan 8.300 nan 0.000 0.446 178 L N 4.060 124.806 121.223 -0.794 0.000 2.331 178 L HA 0.751 5.091 4.340 0.000 0.000 0.275 178 L C -1.103 175.767 176.870 -0.000 0.000 1.022 178 L CA -0.701 53.818 54.840 -0.535 0.000 0.812 178 L CB 1.864 43.561 42.059 -0.603 0.000 1.257 178 L HN 0.918 nan 8.230 nan 0.000 0.435 179 M N 4.476 124.091 119.600 0.024 0.000 2.167 179 M HA 0.375 4.855 4.480 0.000 0.000 0.218 179 M C -0.689 175.652 176.300 0.070 0.000 0.968 179 M CA -0.234 55.133 55.300 0.112 0.000 1.004 179 M CB 0.627 33.289 32.600 0.104 0.000 2.485 179 M HN 0.835 nan 8.290 nan 0.000 0.404 180 G N 2.133 111.040 108.800 0.178 0.000 2.444 180 G HA2 0.583 4.543 3.960 0.000 0.000 0.268 180 G HA3 0.583 4.543 3.960 0.000 0.000 0.268 180 G C -0.260 174.623 174.900 -0.027 0.000 1.203 180 G CA -0.091 45.082 45.100 0.122 0.000 0.835 180 G HN 0.623 nan 8.290 nan 0.000 0.543 181 T N -1.108 113.382 114.554 -0.106 0.000 2.861 181 T HA 0.580 4.930 4.350 0.000 0.000 0.287 181 T C -1.104 173.518 174.700 -0.129 0.000 1.003 181 T CA -0.763 61.265 62.100 -0.121 0.000 0.977 181 T CB 1.369 70.242 68.868 0.009 0.000 0.996 181 T HN 0.324 nan 8.240 nan 0.000 0.448 182 Y N 1.351 121.638 120.300 -0.023 0.000 2.352 182 Y HA 0.698 5.248 4.550 0.000 0.000 0.326 182 Y C 0.572 176.462 175.900 -0.017 0.000 1.166 182 Y CA -1.246 56.793 58.100 -0.102 0.000 1.182 182 Y CB 1.706 39.982 38.460 -0.306 0.000 1.216 182 Y HN 0.754 nan 8.280 nan 0.000 0.474 183 K N 3.572 123.987 120.400 0.026 0.000 2.652 183 K HA 0.410 4.730 4.320 0.000 0.000 0.249 183 K C -1.242 175.311 176.600 -0.078 0.000 0.986 183 K CA -0.665 55.625 56.287 0.005 0.000 0.867 183 K CB 1.323 33.757 32.500 -0.110 0.000 1.201 183 K HN 0.779 nan 8.250 nan 0.000 0.450 184 R N 2.843 123.410 120.500 0.112 0.000 2.873 184 R HA 0.674 5.014 4.340 0.000 0.000 0.264 184 R C -1.445 174.892 176.300 0.061 0.000 1.026 184 R CA -0.700 55.491 56.100 0.151 0.000 1.002 184 R CB 1.945 32.347 30.300 0.170 0.000 1.174 184 R HN 0.337 nan 8.270 nan 0.000 0.488 185 V N 1.937 121.883 119.914 0.054 0.000 2.569 185 V HA 0.239 4.359 4.120 0.000 0.000 0.301 185 V C -0.043 176.061 176.094 0.016 0.000 1.044 185 V CA -0.832 61.475 62.300 0.012 0.000 0.874 185 V CB 1.892 33.710 31.823 -0.009 0.000 1.002 185 V HN 0.912 nan 8.190 nan 0.000 0.424 186 T N 2.454 117.022 114.554 0.023 0.000 2.698 186 T HA 0.116 4.466 4.350 0.000 0.000 0.295 186 T C 1.313 176.013 174.700 -0.000 0.000 1.007 186 T CA -0.506 61.608 62.100 0.024 0.000 0.980 186 T CB 0.640 69.538 68.868 0.051 0.000 1.036 186 T HN 0.731 nan 8.240 nan 0.000 0.526 187 E N 0.297 120.496 120.200 -0.002 0.000 2.171 187 E HA -0.095 4.255 4.350 0.000 0.000 0.197 187 E C 0.854 177.448 176.600 -0.009 0.000 0.997 187 E CA 1.232 57.627 56.400 -0.008 0.000 0.810 187 E CB -0.111 29.584 29.700 -0.008 0.000 0.738 187 E HN 0.490 nan 8.360 nan 0.000 0.467 188 K N -0.412 119.983 120.400 -0.008 0.000 2.179 188 K HA 0.317 4.637 4.320 0.000 0.000 0.238 188 K C 1.161 177.747 176.600 -0.024 0.000 1.033 188 K CA 0.240 56.520 56.287 -0.013 0.000 0.926 188 K CB 0.793 33.288 32.500 -0.009 0.000 1.151 188 K HN 0.017 nan 8.250 nan 0.000 0.492 189 G N 1.061 109.844 108.800 -0.027 0.000 3.028 189 G HA2 -0.092 3.868 3.960 0.000 0.000 0.205 189 G HA3 -0.092 3.868 3.960 0.000 0.000 0.205 189 G C -0.349 174.516 174.900 -0.058 0.000 1.182 189 G CA 0.088 45.166 45.100 -0.037 0.000 0.860 189 G HN 0.538 nan 8.290 nan 0.000 0.507 190 D N 0.624 120.981 120.400 -0.072 0.000 2.450 190 D HA 0.154 4.794 4.640 0.000 0.000 0.247 190 D C 0.143 176.324 176.300 -0.198 0.000 1.162 190 D CA 0.521 54.433 54.000 -0.147 0.000 0.879 190 D CB 0.998 41.714 40.800 -0.139 0.000 1.163 190 D HN 0.368 nan 8.370 nan 0.000 0.472 191 E N 2.574 122.633 120.200 -0.236 0.000 2.141 191 E HA 0.135 4.485 4.350 0.000 0.000 0.259 191 E C -0.865 175.596 176.600 -0.232 0.000 0.883 191 E CA -0.730 55.561 56.400 -0.182 0.000 0.744 191 E CB 0.474 30.110 29.700 -0.106 0.000 1.150 191 E HN 0.398 nan 8.360 nan 0.000 0.420 192 H N 2.643 121.693 119.070 -0.034 0.000 2.467 192 H HA 0.384 4.941 4.556 0.000 0.000 0.326 192 H C -0.301 174.947 175.328 -0.133 0.000 1.094 192 H CA -0.545 55.416 56.048 -0.144 0.000 1.253 192 H CB 1.517 31.242 29.762 -0.060 0.000 1.439 192 H HN 0.339 nan 8.280 nan 0.000 0.479 193 V N 2.048 121.773 119.914 -0.316 0.000 2.841 193 V HA 0.649 4.769 4.120 0.000 0.000 0.310 193 V C -1.025 175.115 176.094 0.075 0.000 1.090 193 V CA -0.994 61.313 62.300 0.011 0.000 0.930 193 V CB 2.202 33.920 31.823 -0.174 0.000 1.014 193 V HN 0.460 nan 8.190 nan 0.000 0.425 194 L N 3.408 124.629 121.223 -0.004 0.000 2.526 194 L HA 0.951 5.292 4.340 0.000 0.000 0.263 194 L C -0.419 176.399 176.870 -0.088 0.000 0.943 194 L CA 0.114 54.897 54.840 -0.095 0.000 0.859 194 L CB 2.158 43.955 42.059 -0.436 0.000 1.313 194 L HN 1.194 nan 8.230 nan 0.000 0.406 195 S N 4.288 119.996 115.700 0.012 0.000 2.599 195 S HA 0.889 5.360 4.470 0.000 0.000 0.294 195 S C -0.901 173.665 174.600 -0.057 0.000 1.094 195 S CA -0.908 57.267 58.200 -0.043 0.000 0.931 195 S CB 1.764 65.014 63.200 0.083 0.000 1.093 195 S HN 0.715 nan 8.310 nan 0.000 0.488 196 L N 1.568 122.696 121.223 -0.158 0.000 2.346 196 L HA 0.697 5.037 4.340 0.000 0.000 0.276 196 L C -1.240 175.636 176.870 0.010 0.000 1.006 196 L CA -1.096 53.637 54.840 -0.179 0.000 0.817 196 L CB 2.079 43.739 42.059 -0.666 0.000 1.272 196 L HN 0.551 nan 8.230 nan 0.000 0.421 197 V N 2.478 122.470 119.914 0.130 0.000 2.444 197 V HA 0.433 4.553 4.120 0.000 0.000 0.294 197 V C -0.760 175.541 176.094 0.345 0.000 1.022 197 V CA -0.565 61.867 62.300 0.220 0.000 0.850 197 V CB 1.642 33.546 31.823 0.134 0.000 0.992 197 V HN 0.467 nan 8.190 nan 0.000 0.426 198 F N 3.171 123.268 119.950 0.246 0.000 2.522 198 F HA 0.981 5.508 4.527 0.000 0.000 0.324 198 F C 0.369 176.277 175.800 0.181 0.000 1.077 198 F CA 0.331 58.498 58.000 0.279 0.000 0.944 198 F CB 2.093 41.312 39.000 0.366 0.000 1.175 198 F HN 0.868 nan 8.300 nan 0.000 0.468 199 G N 3.636 112.021 108.800 -0.692 0.000 2.352 199 G HA2 0.123 4.084 3.960 0.000 0.000 0.302 199 G HA3 0.123 4.084 3.960 0.000 0.000 0.302 199 G C -1.887 172.919 174.900 -0.157 0.000 1.370 199 G CA -1.330 43.574 45.100 -0.327 0.000 0.918 199 G HN 0.655 nan 8.290 nan 0.000 0.610 200 K N 0.868 121.160 120.400 -0.180 0.000 2.447 200 K HA 0.226 4.546 4.320 0.000 0.000 0.281 200 K C 1.610 178.064 176.600 -0.244 0.000 1.031 200 K CA 0.551 56.592 56.287 -0.410 0.000 1.019 200 K CB 0.625 32.922 32.500 -0.338 0.000 0.918 200 K HN 0.519 nan 8.250 nan 0.000 0.476 201 T N 2.751 117.166 114.554 -0.232 0.000 2.751 201 T HA -0.255 4.095 4.350 0.000 0.000 0.268 201 T C 1.618 176.196 174.700 -0.204 0.000 1.045 201 T CA 2.029 64.004 62.100 -0.209 0.000 1.142 201 T CB -0.169 68.615 68.868 -0.140 0.000 0.851 201 T HN 0.650 nan 8.240 nan 0.000 0.474 202 K N 1.122 121.426 120.400 -0.159 0.000 2.365 202 K HA -0.006 4.314 4.320 0.000 0.000 0.199 202 K C 1.244 177.786 176.600 -0.096 0.000 1.045 202 K CA 1.303 57.525 56.287 -0.109 0.000 0.962 202 K CB 0.162 32.611 32.500 -0.084 0.000 0.759 202 K HN 0.161 nan 8.250 nan 0.000 0.469 203 D N 0.431 120.765 120.400 -0.111 0.000 2.349 203 D HA 0.069 4.709 4.640 0.000 0.000 0.214 203 D C -0.175 175.993 176.300 -0.221 0.000 1.063 203 D CA -0.103 53.853 54.000 -0.073 0.000 0.847 203 D CB 0.154 40.986 40.800 0.053 0.000 0.933 203 D HN 0.077 nan 8.370 nan 0.000 0.513 204 L N 2.137 123.156 121.223 -0.339 0.000 2.514 204 L HA 0.073 4.413 4.340 0.000 0.000 0.280 204 L C -1.671 174.995 176.870 -0.340 0.000 1.223 204 L CA -0.600 53.922 54.840 -0.530 0.000 0.864 204 L CB -0.576 40.983 42.059 -0.832 0.000 1.118 204 L HN -0.175 nan 8.230 nan 0.000 0.494 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.099 176.298 177.300 0.161 0.000 1.239 205 P CA -0.074 62.887 63.100 -0.231 0.000 0.807 205 P CB 0.349 31.751 31.700 -0.497 0.000 0.951 206 D N 0.557 121.075 120.400 0.197 0.000 2.277 206 D HA 0.191 4.831 4.640 0.000 0.000 0.249 206 D C 0.104 176.620 176.300 0.360 0.000 1.134 206 D CA -0.074 54.090 54.000 0.274 0.000 0.863 206 D CB 0.527 41.464 40.800 0.228 0.000 1.143 206 D HN 0.184 nan 8.370 nan 0.000 0.458 207 L N 2.207 123.548 121.223 0.197 0.000 2.371 207 L HA 0.289 4.629 4.340 0.000 0.000 0.272 207 L C 1.856 178.788 176.870 0.104 0.000 1.124 207 L CA -0.437 54.419 54.840 0.026 0.000 0.816 207 L CB 1.276 43.237 42.059 -0.164 0.000 1.129 207 L HN 0.312 nan 8.230 nan 0.000 0.448 208 R N 1.998 122.426 120.500 -0.120 0.000 1.967 208 R HA 0.144 4.485 4.340 0.000 0.000 0.184 208 R C 1.068 177.316 176.300 -0.087 0.000 1.350 208 R CA 0.591 56.456 56.100 -0.391 0.000 1.232 208 R CB -0.519 29.384 30.300 -0.662 0.000 0.813 208 R HN 0.800 nan 8.270 nan 0.000 0.512 209 G N 0.509 109.284 108.800 -0.042 0.000 2.443 209 G HA2 0.007 3.967 3.960 0.000 0.000 0.286 209 G HA3 0.007 3.967 3.960 0.000 0.000 0.286 209 G C -2.045 172.667 174.900 -0.314 0.000 1.393 209 G CA -0.759 44.234 45.100 -0.179 0.000 1.080 209 G HN 0.357 nan 8.290 nan 0.000 0.566 210 P HA 0.198 nan 4.420 nan 0.000 0.245 210 P C -1.084 175.711 177.300 -0.842 0.000 1.670 210 P CA 0.427 63.132 63.100 -0.659 0.000 1.146 210 P CB -0.474 30.754 31.700 -0.787 0.000 1.954 211 F N 0.504 120.325 119.950 -0.216 0.000 2.520 211 F HA 0.455 4.982 4.527 0.000 0.000 0.322 211 F C 0.442 176.139 175.800 -0.172 0.000 1.103 211 F CA -0.671 57.228 58.000 -0.169 0.000 0.926 211 F CB 1.754 40.619 39.000 -0.226 0.000 1.154 211 F HN -0.110 nan 8.300 nan 0.000 0.453 212 S N 1.867 117.619 115.700 0.088 0.000 2.605 212 S HA 0.339 4.809 4.470 0.000 0.000 0.308 212 S C 0.277 174.900 174.600 0.039 0.000 1.113 212 S CA -0.722 57.496 58.200 0.030 0.000 1.049 212 S CB 0.543 63.766 63.200 0.038 0.000 1.001 212 S HN 0.645 nan 8.310 nan 0.000 0.480 213 Y N 2.762 123.092 120.300 0.050 0.000 2.173 213 Y HA -0.168 4.382 4.550 0.000 0.000 0.282 213 Y C -0.223 175.681 175.900 0.006 0.000 1.192 213 Y CA 2.308 60.422 58.100 0.024 0.000 1.176 213 Y CB -1.257 37.216 38.460 0.022 0.000 0.969 213 Y HN 0.567 nan 8.280 nan 0.000 0.519 214 P HA -0.193 nan 4.420 nan 0.000 0.215 214 P C 1.250 178.577 177.300 0.044 0.000 1.157 214 P CA 2.360 65.511 63.100 0.084 0.000 0.874 214 P CB -0.267 31.470 31.700 0.061 0.000 0.790 215 S N -1.637 114.086 115.700 0.039 0.000 2.786 215 S HA 0.124 4.594 4.470 0.000 0.000 0.223 215 S C 1.474 176.043 174.600 -0.052 0.000 0.956 215 S CA 0.188 58.386 58.200 -0.004 0.000 0.961 215 S CB -1.036 62.184 63.200 0.033 0.000 0.784 215 S HN 0.141 nan 8.310 nan 0.000 0.519 216 L N -0.362 120.855 121.223 -0.011 0.000 3.284 216 L HA 0.220 4.560 4.340 0.000 0.000 0.294 216 L C -0.068 176.821 176.870 0.031 0.000 1.183 216 L CA 0.002 54.825 54.840 -0.028 0.000 1.056 216 L CB 0.503 42.551 42.059 -0.017 0.000 1.513 216 L HN 0.139 nan 8.230 nan 0.000 0.601 217 T N -0.860 113.724 114.554 0.050 0.000 2.869 217 T HA 0.122 4.472 4.350 0.000 0.000 0.295 217 T C 0.949 175.630 174.700 -0.032 0.000 0.987 217 T CA 0.196 62.310 62.100 0.023 0.000 1.109 217 T CB 2.394 71.270 68.868 0.014 0.000 0.932 217 T HN -0.068 nan 8.240 nan 0.000 0.518 218 S N 1.244 116.909 115.700 -0.058 0.000 2.468 218 S HA 0.497 4.967 4.470 0.000 0.000 0.226 218 S C 0.555 175.064 174.600 -0.150 0.000 1.051 218 S CA 0.072 58.230 58.200 -0.070 0.000 0.943 218 S CB 0.186 63.371 63.200 -0.025 0.000 0.810 218 S HN 0.896 nan 8.310 nan 0.000 0.509 219 A N 0.852 123.477 122.820 -0.326 0.000 2.422 219 A HA 0.763 5.083 4.320 0.000 0.000 0.302 219 A C -0.961 176.229 177.584 -0.656 0.000 1.041 219 A CA -0.478 51.223 52.037 -0.559 0.000 0.708 219 A CB 1.524 19.952 19.000 -0.953 0.000 1.257 219 A HN 0.350 nan 8.150 nan 0.000 0.414 220 Q N 1.401 121.036 119.800 -0.275 0.000 2.331 220 Q HA 0.661 5.001 4.340 0.000 0.000 0.272 220 Q C -0.771 175.354 176.000 0.208 0.000 1.062 220 Q CA -0.402 55.391 55.803 -0.017 0.000 0.806 220 Q CB 2.061 30.797 28.738 -0.004 0.000 1.312 220 Q HN 0.792 nan 8.270 nan 0.000 0.431 221 S N 0.744 116.666 115.700 0.369 0.000 2.667 221 S HA 0.463 4.933 4.470 0.000 0.000 0.292 221 S C 0.910 175.621 174.600 0.185 0.000 1.108 221 S CA -0.107 58.290 58.200 0.328 0.000 0.992 221 S CB 0.726 64.183 63.200 0.427 0.000 1.269 221 S HN 0.843 nan 8.310 nan 0.000 0.528 222 G N 0.164 109.051 108.800 0.145 0.000 2.534 222 G HA2 -0.023 3.937 3.960 0.000 0.000 0.217 222 G HA3 -0.023 3.937 3.960 0.000 0.000 0.217 222 G C -0.098 174.817 174.900 0.025 0.000 1.128 222 G CA 0.983 46.127 45.100 0.073 0.000 0.784 222 G HN 0.750 nan 8.290 nan 0.000 0.542 223 D N -2.969 117.439 120.400 0.012 0.000 2.619 223 D HA 0.147 4.787 4.640 0.000 0.000 0.300 223 D C -0.681 175.449 176.300 -0.284 0.000 1.502 223 D CA -0.624 53.290 54.000 -0.142 0.000 0.865 223 D CB -0.345 40.321 40.800 -0.224 0.000 1.343 223 D HN 0.222 nan 8.370 nan 0.000 0.447 224 Y N 0.622 120.972 120.300 0.084 0.000 2.462 224 Y HA 0.730 5.280 4.550 0.000 0.000 0.346 224 Y C -0.034 176.033 175.900 0.278 0.000 0.976 224 Y CA -0.810 57.361 58.100 0.119 0.000 1.044 224 Y CB 2.552 41.094 38.460 0.135 0.000 1.230 224 Y HN -0.198 nan 8.280 nan 0.000 0.455 225 S N 2.292 118.208 115.700 0.359 0.000 2.595 225 S HA 0.671 5.141 4.470 0.000 0.000 0.281 225 S C -2.040 172.711 174.600 0.251 0.000 1.117 225 S CA -0.690 57.607 58.200 0.162 0.000 0.873 225 S CB 2.179 65.358 63.200 -0.036 0.000 1.108 225 S HN 0.445 nan 8.310 nan 0.000 0.477 226 L N 2.617 123.858 121.223 0.030 0.000 2.427 226 L HA 0.593 4.933 4.340 0.000 0.000 0.264 226 L C -1.351 175.560 176.870 0.068 0.000 0.989 226 L CA -0.333 54.605 54.840 0.164 0.000 0.865 226 L CB 1.010 43.118 42.059 0.081 0.000 1.209 226 L HN 0.484 nan 8.230 nan 0.000 0.430 227 V N 5.481 125.467 119.914 0.119 0.000 2.567 227 V HA 0.459 4.579 4.120 0.000 0.000 0.289 227 V C 0.287 176.447 176.094 0.111 0.000 1.049 227 V CA -0.418 61.958 62.300 0.128 0.000 0.969 227 V CB 1.713 33.675 31.823 0.232 0.000 0.995 227 V HN 0.531 nan 8.190 nan 0.000 0.471 228 I N 4.106 124.733 120.570 0.095 0.000 2.405 228 I HA 0.327 4.497 4.170 0.000 0.000 0.280 228 I C -0.653 175.518 176.117 0.091 0.000 1.027 228 I CA -0.495 60.868 61.300 0.105 0.000 1.161 228 I CB 1.464 39.564 38.000 0.167 0.000 1.300 228 I HN 0.281 nan 8.210 nan 0.000 0.463 229 V N 5.123 125.088 119.914 0.085 0.000 2.348 229 V HA 0.618 4.738 4.120 0.000 0.000 0.270 229 V C 0.165 176.319 176.094 0.100 0.000 1.037 229 V CA -0.039 62.283 62.300 0.037 0.000 0.872 229 V CB 1.078 32.934 31.823 0.054 0.000 1.002 229 V HN 0.843 nan 8.190 nan 0.000 0.464 230 T N 2.691 117.298 114.554 0.088 0.000 2.717 230 T HA 0.420 4.770 4.350 0.000 0.000 0.315 230 T C -0.468 174.309 174.700 0.129 0.000 1.746 230 T CA 0.136 62.336 62.100 0.167 0.000 1.001 230 T CB 1.864 70.848 68.868 0.194 0.000 1.673 230 T HN 0.893 nan 8.240 nan 0.000 0.498 231 T N 0.598 115.293 114.554 0.236 0.000 2.934 231 T HA 0.568 4.918 4.350 0.000 0.000 0.283 231 T C 1.062 175.838 174.700 0.127 0.000 1.005 231 T CA -0.497 61.677 62.100 0.123 0.000 1.041 231 T CB 0.648 69.595 68.868 0.131 0.000 1.042 231 T HN 0.405 nan 8.240 nan 0.000 0.505 232 F N 1.233 121.290 119.950 0.179 0.000 2.126 232 F HA -0.059 4.468 4.527 0.000 0.000 0.299 232 F C 2.689 178.568 175.800 0.132 0.000 1.096 232 F CA 1.192 59.302 58.000 0.184 0.000 1.255 232 F CB -1.067 38.005 39.000 0.120 0.000 0.997 232 F HN 0.435 nan 8.300 nan 0.000 0.479 233 V N -0.429 119.620 119.914 0.225 0.000 2.282 233 V HA -0.338 3.782 4.120 0.000 0.000 0.249 233 V C 2.418 178.563 176.094 0.084 0.000 1.057 233 V CA 2.203 64.551 62.300 0.081 0.000 1.032 233 V CB -0.890 30.894 31.823 -0.064 0.000 0.645 233 V HN 0.370 nan 8.190 nan 0.000 0.447 234 H N -1.477 117.746 119.070 0.256 0.000 2.333 234 H HA -0.101 4.455 4.556 0.000 0.000 0.302 234 H C 2.195 177.658 175.328 0.226 0.000 1.075 234 H CA 1.825 58.031 56.048 0.263 0.000 1.348 234 H CB -0.692 29.302 29.762 0.386 0.000 1.393 234 H HN 0.503 nan 8.280 nan 0.000 0.509 235 Y N 1.774 122.201 120.300 0.211 0.000 2.228 235 Y HA -0.288 4.262 4.550 0.000 0.000 0.285 235 Y C 2.528 178.462 175.900 0.057 0.000 1.178 235 Y CA 1.227 59.345 58.100 0.031 0.000 1.202 235 Y CB -0.388 37.880 38.460 -0.321 0.000 0.974 235 Y HN 0.202 nan 8.280 nan 0.000 0.527 236 A N 0.166 123.021 122.820 0.058 0.000 1.841 236 A HA -0.248 4.072 4.320 0.000 0.000 0.214 236 A C 2.152 179.658 177.584 -0.130 0.000 1.195 236 A CA 1.796 53.809 52.037 -0.041 0.000 0.611 236 A CB -1.165 17.846 19.000 0.019 0.000 0.835 236 A HN 0.581 nan 8.150 nan 0.000 0.443 237 N N -1.633 116.943 118.700 -0.207 0.000 2.272 237 N HA -0.134 4.607 4.740 0.000 0.000 0.185 237 N C 1.168 176.450 175.510 -0.381 0.000 1.014 237 N CA 1.541 54.388 53.050 -0.339 0.000 0.870 237 N CB -0.311 37.701 38.487 -0.793 0.000 0.975 237 N HN 0.391 nan 8.380 nan 0.000 0.433 238 F N -0.616 119.118 119.950 -0.359 0.000 2.317 238 F HA 0.103 4.630 4.527 0.000 0.000 0.293 238 F C 2.358 177.740 175.800 -0.697 0.000 1.085 238 F CA 0.703 58.334 58.000 -0.615 0.000 1.390 238 F CB -0.567 38.239 39.000 -0.323 0.000 1.077 238 F HN 0.269 nan 8.300 nan 0.000 0.517 239 H N 0.379 119.168 119.070 -0.468 0.000 2.543 239 H HA -0.087 4.469 4.556 0.000 0.000 0.286 239 H C 1.398 176.546 175.328 -0.299 0.000 1.037 239 H CA 0.848 56.607 56.048 -0.482 0.000 1.250 239 H CB -0.062 29.338 29.762 -0.604 0.000 1.373 239 H HN 0.212 nan 8.280 nan 0.000 0.580 240 N N 0.237 118.826 118.700 -0.185 0.000 2.354 240 N HA -0.128 4.612 4.740 0.000 0.000 0.179 240 N C 0.747 176.254 175.510 -0.005 0.000 1.021 240 N CA 1.180 54.201 53.050 -0.049 0.000 0.887 240 N CB 0.090 38.595 38.487 0.031 0.000 0.974 240 N HN 0.651 nan 8.380 nan 0.000 0.437 241 Y N -3.779 116.494 120.300 -0.045 0.000 2.666 241 Y HA 0.425 4.975 4.550 0.000 0.000 0.260 241 Y C -0.597 175.330 175.900 0.046 0.000 1.089 241 Y CA -1.025 57.053 58.100 -0.036 0.000 1.246 241 Y CB -0.220 38.200 38.460 -0.068 0.000 1.353 241 Y HN -0.206 nan 8.280 nan 0.000 0.558 242 F N 2.225 121.911 119.950 -0.440 0.000 2.646 242 F HA 0.688 5.215 4.527 0.000 0.000 0.364 242 F C -1.478 174.101 175.800 -0.368 0.000 1.137 242 F CA -1.995 55.807 58.000 -0.330 0.000 1.085 242 F CB 1.532 40.323 39.000 -0.348 0.000 1.331 242 F HN -0.171 nan 8.300 nan 0.000 0.472 243 V N 7.608 127.140 119.914 -0.637 0.000 2.260 243 V HA 0.293 4.413 4.120 0.000 0.000 0.263 243 V C -2.005 173.753 176.094 -0.559 0.000 1.036 243 V CA -1.243 60.681 62.300 -0.626 0.000 0.874 243 V CB 0.380 31.924 31.823 -0.466 0.000 1.116 243 V HN 0.550 nan 8.190 nan 0.000 0.454 244 P HA 0.069 nan 4.420 nan 0.000 0.269 244 P C -0.094 177.088 177.300 -0.198 0.000 1.209 244 P CA -0.085 62.713 63.100 -0.503 0.000 0.776 244 P CB 0.931 32.268 31.700 -0.606 0.000 0.876 245 N N 2.542 121.202 118.700 -0.066 0.000 3.303 245 N HA 0.042 4.782 4.740 0.000 0.000 0.304 245 N C 1.405 176.951 175.510 0.061 0.000 1.302 245 N CA -0.117 52.936 53.050 0.004 0.000 1.213 245 N CB -0.640 37.867 38.487 0.034 0.000 1.481 245 N HN 0.353 nan 8.380 nan 0.000 0.546 246 L N 0.558 121.810 121.223 0.049 0.000 2.113 246 L HA -0.352 3.988 4.340 0.000 0.000 0.221 246 L C 2.254 179.223 176.870 0.164 0.000 1.084 246 L CA 1.654 56.558 54.840 0.107 0.000 0.787 246 L CB -0.403 41.692 42.059 0.059 0.000 0.893 246 L HN 0.362 nan 8.230 nan 0.000 0.440 247 K N 0.052 120.525 120.400 0.123 0.000 1.969 247 K HA -0.210 4.110 4.320 0.000 0.000 0.223 247 K C 1.780 178.490 176.600 0.183 0.000 1.048 247 K CA 2.072 58.448 56.287 0.147 0.000 0.983 247 K CB -0.462 32.096 32.500 0.097 0.000 0.738 247 K HN 0.272 nan 8.250 nan 0.000 0.446 248 D N 0.623 121.100 120.400 0.128 0.000 2.117 248 D HA -0.177 4.463 4.640 0.000 0.000 0.197 248 D C 1.804 178.177 176.300 0.122 0.000 0.987 248 D CA 1.104 55.166 54.000 0.102 0.000 0.829 248 D CB -0.240 40.605 40.800 0.075 0.000 0.961 248 D HN 0.198 nan 8.370 nan 0.000 0.460 249 M N -0.690 119.014 119.600 0.172 0.000 2.202 249 M HA -0.191 4.289 4.480 0.000 0.000 0.262 249 M C 1.841 178.271 176.300 0.217 0.000 1.063 249 M CA 1.274 56.708 55.300 0.223 0.000 1.097 249 M CB -0.011 32.751 32.600 0.270 0.000 1.382 249 M HN 0.016 nan 8.290 nan 0.000 0.413 250 F N 0.116 120.116 119.950 0.083 0.000 2.118 250 F HA -0.052 4.475 4.527 0.000 0.000 0.293 250 F C 2.257 178.061 175.800 0.008 0.000 1.102 250 F CA 1.726 59.763 58.000 0.062 0.000 1.247 250 F CB -0.714 38.367 39.000 0.134 0.000 1.017 250 F HN 0.098 nan 8.300 nan 0.000 0.475 251 S N 0.774 116.479 115.700 0.009 0.000 2.359 251 S HA -0.281 4.189 4.470 0.000 0.000 0.222 251 S C 2.136 176.615 174.600 -0.203 0.000 1.038 251 S CA 1.707 59.838 58.200 -0.114 0.000 1.051 251 S CB -0.609 62.605 63.200 0.023 0.000 0.944 251 S HN 0.349 nan 8.310 nan 0.000 0.433 252 R N 0.921 121.343 120.500 -0.129 0.000 2.139 252 R HA -0.085 4.255 4.340 0.000 0.000 0.243 252 R C 2.086 178.245 176.300 -0.235 0.000 1.145 252 R CA 1.227 57.245 56.100 -0.138 0.000 0.976 252 R CB -0.356 29.860 30.300 -0.140 0.000 0.866 252 R HN 0.421 nan 8.270 nan 0.000 0.449 253 A N -0.621 121.957 122.820 -0.403 0.000 2.206 253 A HA 0.049 4.369 4.320 0.000 0.000 0.211 253 A C 1.613 178.742 177.584 -0.758 0.000 1.158 253 A CA 0.585 52.096 52.037 -0.877 0.000 0.761 253 A CB 0.359 18.784 19.000 -0.958 0.000 0.801 253 A HN 0.181 nan 8.150 nan 0.000 0.473 254 V N -0.951 118.625 119.914 -0.562 0.000 2.840 254 V HA 0.009 4.129 4.120 0.000 0.000 0.234 254 V C 1.368 177.286 176.094 -0.294 0.000 1.159 254 V CA 1.410 63.414 62.300 -0.494 0.000 1.194 254 V CB -0.356 31.111 31.823 -0.593 0.000 0.971 254 V HN 0.557 nan 8.190 nan 0.000 0.494 255 T N 0.435 114.859 114.554 -0.215 0.000 3.414 255 T HA 0.646 4.996 4.350 0.000 0.000 0.304 255 T C -0.582 174.065 174.700 -0.089 0.000 1.241 255 T CA 0.128 62.162 62.100 -0.109 0.000 1.076 255 T CB -0.095 68.733 68.868 -0.067 0.000 1.134 255 T HN 0.293 nan 8.240 nan 0.000 0.759 256 M N 2.718 122.274 119.600 -0.073 0.000 2.394 256 M HA 0.197 4.677 4.480 0.000 0.000 0.246 256 M C -0.255 176.061 176.300 0.027 0.000 0.967 256 M CA -0.296 54.995 55.300 -0.015 0.000 0.835 256 M CB 1.776 34.376 32.600 -0.000 0.000 2.169 256 M HN 0.575 nan 8.290 nan 0.000 0.479 257 T N 2.614 117.221 114.554 0.088 0.000 2.937 257 T HA 0.350 4.700 4.350 0.000 0.000 0.316 257 T C 1.218 176.020 174.700 0.171 0.000 1.079 257 T CA 0.952 63.152 62.100 0.168 0.000 1.131 257 T CB 0.949 69.948 68.868 0.218 0.000 1.000 257 T HN 0.836 nan 8.240 nan 0.000 0.549 258 A N 4.956 127.914 122.820 0.231 0.000 1.869 258 A HA -0.027 4.294 4.320 0.000 0.000 0.218 258 A C 2.784 180.390 177.584 0.037 0.000 1.203 258 A CA 2.723 54.845 52.037 0.142 0.000 0.638 258 A CB -1.685 17.445 19.000 0.216 0.000 0.831 258 A HN 1.440 nan 8.150 nan 0.000 0.450 259 A N -0.956 121.810 122.820 -0.091 0.000 1.917 259 A HA -0.151 4.169 4.320 0.000 0.000 0.219 259 A C 2.476 180.057 177.584 -0.005 0.000 1.182 259 A CA 2.468 54.425 52.037 -0.134 0.000 0.633 259 A CB -1.034 17.832 19.000 -0.223 0.000 0.819 259 A HN 0.516 nan 8.150 nan 0.000 0.448 260 S N -1.945 113.790 115.700 0.059 0.000 2.348 260 S HA -0.160 4.310 4.470 0.000 0.000 0.221 260 S C 1.862 176.548 174.600 0.143 0.000 1.033 260 S CA 1.448 59.705 58.200 0.095 0.000 1.010 260 S CB -0.594 62.666 63.200 0.100 0.000 0.891 260 S HN 0.659 nan 8.310 nan 0.000 0.442 261 Y N 2.462 122.783 120.300 0.036 0.000 2.207 261 Y HA -0.212 4.338 4.550 0.000 0.000 0.287 261 Y C 2.423 178.377 175.900 0.091 0.000 1.156 261 Y CA 0.868 59.015 58.100 0.079 0.000 1.182 261 Y CB -0.817 37.653 38.460 0.016 0.000 0.979 261 Y HN 0.226 nan 8.280 nan 0.000 0.521 262 A N 0.170 123.024 122.820 0.057 0.000 1.883 262 A HA -0.260 4.060 4.320 0.000 0.000 0.217 262 A C 2.349 179.873 177.584 -0.100 0.000 1.186 262 A CA 2.104 54.094 52.037 -0.078 0.000 0.624 262 A CB -0.774 18.143 19.000 -0.138 0.000 0.822 262 A HN 0.533 nan 8.150 nan 0.000 0.444 263 R N -2.048 118.431 120.500 -0.035 0.000 2.090 263 R HA -0.130 4.210 4.340 0.000 0.000 0.228 263 R C 2.080 178.356 176.300 -0.040 0.000 1.110 263 R CA 1.531 57.618 56.100 -0.020 0.000 0.973 263 R CB -0.575 29.747 30.300 0.037 0.000 0.869 263 R HN 0.596 nan 8.270 nan 0.000 0.440 264 Y N 0.440 120.667 120.300 -0.122 0.000 2.193 264 Y HA -0.224 4.327 4.550 0.000 0.000 0.285 264 Y C 1.637 177.428 175.900 -0.182 0.000 1.166 264 Y CA 1.776 59.791 58.100 -0.142 0.000 1.181 264 Y CB -0.354 38.001 38.460 -0.176 0.000 0.976 264 Y HN -0.092 nan 8.280 nan 0.000 0.520 265 V N 0.036 119.635 119.914 -0.525 0.000 2.346 265 V HA -0.226 3.895 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 1.520 63.498 62.300 -0.536 0.000 1.029 265 V CB -0.850 30.756 31.823 -0.362 0.000 0.663 265 V HN 0.482 nan 8.190 nan 0.000 0.454 266 L N 0.051 121.158 121.223 -0.194 0.000 2.043 266 L HA -0.274 4.066 4.340 0.000 0.000 0.212 266 L C 2.525 179.324 176.870 -0.117 0.000 1.075 266 L CA 2.086 56.857 54.840 -0.115 0.000 0.752 266 L CB -0.518 41.502 42.059 -0.065 0.000 0.891 266 L HN 0.371 nan 8.230 nan 0.000 0.432 267 Q N -0.924 118.792 119.800 -0.141 0.000 2.079 267 Q HA -0.239 4.101 4.340 0.000 0.000 0.200 267 Q C 2.325 178.239 176.000 -0.143 0.000 0.974 267 Q CA 1.608 57.343 55.803 -0.114 0.000 0.840 267 Q CB -0.215 28.473 28.738 -0.082 0.000 0.898 267 Q HN 0.465 nan 8.270 nan 0.000 0.430 268 K N 0.611 120.857 120.400 -0.257 0.000 2.113 268 K HA -0.154 4.166 4.320 0.000 0.000 0.208 268 K C 2.023 178.544 176.600 -0.131 0.000 1.047 268 K CA 1.005 57.150 56.287 -0.237 0.000 0.928 268 K CB -0.048 32.209 32.500 -0.404 0.000 0.716 268 K HN 0.189 nan 8.250 nan 0.000 0.446 269 L N 0.013 121.161 121.223 -0.124 0.000 2.044 269 L HA -0.160 4.180 4.340 0.000 0.000 0.205 269 L C 2.292 179.113 176.870 -0.082 0.000 1.075 269 L CA 0.716 55.506 54.840 -0.084 0.000 0.747 269 L CB -0.527 41.480 42.059 -0.087 0.000 0.903 269 L HN -0.022 nan 8.230 nan 0.000 0.435 270 V N 0.484 120.352 119.914 -0.077 0.000 2.324 270 V HA -0.329 3.791 4.120 0.000 0.000 0.250 270 V C 2.488 178.556 176.094 -0.044 0.000 1.060 270 V CA 2.009 64.273 62.300 -0.060 0.000 1.042 270 V CB -0.552 31.248 31.823 -0.039 0.000 0.650 270 V HN 0.356 nan 8.190 nan 0.000 0.450 271 L N -0.390 120.810 121.223 -0.038 0.000 1.970 271 L HA -0.172 4.168 4.340 0.000 0.000 0.212 271 L C 2.226 179.086 176.870 -0.017 0.000 1.071 271 L CA 2.009 56.838 54.840 -0.019 0.000 0.751 271 L CB -0.604 41.443 42.059 -0.020 0.000 0.889 271 L HN 0.167 nan 8.230 nan 0.000 0.432 272 L N -0.004 121.206 121.223 -0.021 0.000 2.127 272 L HA -0.230 4.110 4.340 0.000 0.000 0.211 272 L C 2.593 179.449 176.870 -0.024 0.000 1.089 272 L CA 1.847 56.683 54.840 -0.007 0.000 0.757 272 L CB -0.914 41.157 42.059 0.020 0.000 0.899 272 L HN 0.483 nan 8.230 nan 0.000 0.434 273 E N -0.661 119.506 120.200 -0.055 0.000 2.047 273 E HA -0.225 4.125 4.350 0.000 0.000 0.191 273 E C 2.222 178.792 176.600 -0.051 0.000 0.987 273 E CA 1.167 57.521 56.400 -0.077 0.000 0.799 273 E CB -0.079 29.557 29.700 -0.106 0.000 0.752 273 E HN 0.442 nan 8.360 nan 0.000 0.449 274 M N 0.096 119.677 119.600 -0.032 0.000 2.460 274 M HA -0.105 4.375 4.480 0.000 0.000 0.263 274 M C 1.585 177.883 176.300 -0.002 0.000 1.071 274 M CA 1.047 56.341 55.300 -0.009 0.000 1.096 274 M CB 0.104 32.715 32.600 0.018 0.000 1.408 274 M HN -0.098 nan 8.290 nan 0.000 0.463 275 K N -0.094 120.303 120.400 -0.005 0.000 2.444 275 K HA 0.141 4.461 4.320 0.000 0.000 0.193 275 K C 1.111 177.709 176.600 -0.003 0.000 1.024 275 K CA 0.441 56.728 56.287 -0.000 0.000 1.077 275 K CB 0.181 32.683 32.500 0.004 0.000 0.833 275 K HN 0.494 nan 8.250 nan 0.000 0.517 276 G N 0.892 109.684 108.800 -0.012 0.000 2.189 276 G HA2 -0.296 3.664 3.960 0.000 0.000 0.267 276 G HA3 -0.296 3.664 3.960 0.000 0.000 0.267 276 G C 0.801 175.699 174.900 -0.004 0.000 0.975 276 G CA 0.260 45.352 45.100 -0.013 0.000 0.644 276 G HN 0.474 nan 8.290 nan 0.000 0.537 277 G N -0.817 107.986 108.800 0.006 0.000 2.807 277 G HA2 0.086 4.046 3.960 0.000 0.000 0.207 277 G HA3 0.086 4.046 3.960 0.000 0.000 0.207 277 G C 1.246 176.190 174.900 0.073 0.000 1.151 277 G CA 1.486 46.612 45.100 0.044 0.000 0.800 277 G HN 0.743 nan 8.290 nan 0.000 0.523 278 c N -0.770 117.830 118.600 -0.000 0.000 2.974 278 c HA 0.415 4.985 4.570 0.000 0.000 0.282 278 c C 1.979 176.065 174.090 -0.006 0.000 1.292 278 c CA -0.363 55.941 56.329 -0.042 0.000 1.710 278 c CB -0.573 41.855 42.510 -0.137 0.000 2.036 278 c HN 0.534 nan 8.230 nan 0.000 0.629 279 R N -0.369 120.137 120.500 0.011 0.000 2.637 279 R HA 0.109 4.450 4.340 0.000 0.000 0.262 279 R C -0.048 176.259 176.300 0.012 0.000 0.959 279 R CA 0.112 56.216 56.100 0.007 0.000 1.061 279 R CB 0.415 30.708 30.300 -0.012 0.000 1.610 279 R HN 0.195 nan 8.270 nan 0.000 0.548 280 E N 1.348 121.557 120.200 0.015 0.000 4.044 280 E HA 0.215 4.565 4.350 0.000 0.000 0.216 280 E C -2.612 173.992 176.600 0.008 0.000 1.104 280 E CA -1.745 54.656 56.400 0.002 0.000 1.383 280 E CB 1.383 31.077 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 -0.083 177.178 177.300 -0.065 0.000 1.080 281 P CA 0.544 63.670 63.100 0.043 0.000 1.096 281 P CB -0.012 31.715 31.700 0.046 0.000 1.085 282 E N 2.721 122.888 120.200 -0.055 0.000 2.324 282 E HA 0.097 4.447 4.350 0.000 0.000 0.271 282 E C -0.123 176.365 176.600 -0.186 0.000 1.028 282 E CA -0.000 56.337 56.400 -0.105 0.000 0.890 282 E CB 0.175 29.839 29.700 -0.059 0.000 1.004 282 E HN 0.348 nan 8.360 nan 0.000 0.431 283 L N 5.548 126.602 121.223 -0.281 0.000 2.423 283 L HA 0.217 4.557 4.340 0.000 0.000 0.249 283 L C -0.507 176.216 176.870 -0.246 0.000 1.276 283 L CA -0.308 54.271 54.840 -0.434 0.000 1.199 283 L CB -0.643 40.998 42.059 -0.695 0.000 1.407 283 L HN 0.555 nan 8.230 nan 0.000 0.410 284 D N -2.718 117.615 120.400 -0.111 0.000 2.497 284 D HA 0.301 4.941 4.640 0.000 0.000 0.243 284 D C 1.273 177.632 176.300 0.098 0.000 1.039 284 D CA -0.267 53.743 54.000 0.017 0.000 1.052 284 D CB 0.710 41.511 40.800 -0.000 0.000 1.344 284 D HN 0.102 nan 8.370 nan 0.000 0.553 285 T N -2.536 112.100 114.554 0.137 0.000 2.635 285 T HA -0.303 4.047 4.350 0.000 0.000 0.267 285 T C 1.515 176.313 174.700 0.164 0.000 1.040 285 T CA 1.767 63.979 62.100 0.186 0.000 1.156 285 T CB -0.682 68.191 68.868 0.009 0.000 0.863 285 T HN 0.622 nan 8.240 nan 0.000 0.430 286 E N 0.933 121.185 120.200 0.086 0.000 2.023 286 E HA -0.201 4.150 4.350 0.000 0.000 0.196 286 E C 2.351 179.001 176.600 0.084 0.000 1.003 286 E CA 1.942 58.389 56.400 0.077 0.000 0.809 286 E CB -0.527 29.200 29.700 0.046 0.000 0.755 286 E HN 0.583 nan 8.360 nan 0.000 0.449 287 T N 1.218 115.803 114.554 0.052 0.000 2.684 287 T HA -0.178 4.172 4.350 0.000 0.000 0.267 287 T C 1.832 176.541 174.700 0.015 0.000 1.036 287 T CA 1.269 63.391 62.100 0.036 0.000 1.148 287 T CB -0.244 68.609 68.868 -0.025 0.000 0.863 287 T HN 0.070 nan 8.240 nan 0.000 0.436 288 L N 0.697 121.910 121.223 -0.016 0.000 2.056 288 L HA -0.047 4.293 4.340 0.000 0.000 0.207 288 L C 2.797 179.726 176.870 0.098 0.000 1.078 288 L CA 1.597 56.359 54.840 -0.130 0.000 0.749 288 L CB -1.056 40.715 42.059 -0.481 0.000 0.901 288 L HN 0.241 nan 8.230 nan 0.000 0.433 289 T N -1.337 113.393 114.554 0.292 0.000 2.652 289 T HA -0.228 4.122 4.350 0.000 0.000 0.267 289 T C 1.876 176.736 174.700 0.266 0.000 1.039 289 T CA 2.150 64.465 62.100 0.359 0.000 1.153 289 T CB -0.578 68.452 68.868 0.269 0.000 0.863 289 T HN 0.623 nan 8.240 nan 0.000 0.428 290 T N 1.322 115.973 114.554 0.162 0.000 2.685 290 T HA -0.209 4.141 4.350 0.000 0.000 0.268 290 T C 2.008 176.789 174.700 0.135 0.000 1.034 290 T CA 1.519 63.681 62.100 0.102 0.000 1.149 290 T CB -0.717 68.190 68.868 0.065 0.000 0.860 290 T HN 0.291 nan 8.240 nan 0.000 0.449 291 M N 0.159 119.839 119.600 0.133 0.000 2.082 291 M HA 0.018 4.498 4.480 0.000 0.000 0.258 291 M C 2.160 178.562 176.300 0.170 0.000 1.071 291 M CA 2.254 57.619 55.300 0.110 0.000 1.103 291 M CB -0.708 31.824 32.600 -0.113 0.000 1.307 291 M HN 0.289 nan 8.290 nan 0.000 0.409 292 F N 1.477 121.391 119.950 -0.061 0.000 2.126 292 F HA -0.221 4.306 4.527 0.000 0.000 0.299 292 F C 2.160 178.102 175.800 0.237 0.000 1.096 292 F CA 1.848 59.912 58.000 0.107 0.000 1.255 292 F CB -0.435 38.639 39.000 0.123 0.000 0.997 292 F HN 0.201 nan 8.300 nan 0.000 0.479 293 E N -0.430 119.831 120.200 0.102 0.000 2.204 293 E HA -0.152 4.198 4.350 0.000 0.000 0.194 293 E C 2.379 179.032 176.600 0.089 0.000 0.989 293 E CA 1.286 57.724 56.400 0.063 0.000 0.824 293 E CB -0.392 29.375 29.700 0.112 0.000 0.756 293 E HN 0.330 nan 8.360 nan 0.000 0.477 294 V N 1.760 121.750 119.914 0.125 0.000 2.407 294 V HA -0.257 3.863 4.120 0.000 0.000 0.248 294 V C 2.549 178.822 176.094 0.299 0.000 1.055 294 V CA 2.157 64.571 62.300 0.190 0.000 1.049 294 V CB -0.464 31.489 31.823 0.217 0.000 0.662 294 V HN 0.364 nan 8.190 nan 0.000 0.455 295 S N -0.754 115.094 115.700 0.246 0.000 2.414 295 S HA -0.080 4.390 4.470 0.000 0.000 0.227 295 S C 1.891 176.633 174.600 0.236 0.000 1.022 295 S CA 1.157 59.492 58.200 0.224 0.000 0.958 295 S CB -0.175 63.140 63.200 0.192 0.000 0.797 295 S HN 0.315 nan 8.310 nan 0.000 0.493 296 V N 2.534 122.501 119.914 0.088 0.000 2.427 296 V HA -0.078 4.042 4.120 0.000 0.000 0.248 296 V C 3.099 179.381 176.094 0.313 0.000 1.051 296 V CA 1.514 63.879 62.300 0.109 0.000 1.048 296 V CB -1.464 30.241 31.823 -0.197 0.000 0.666 296 V HN 0.645 nan 8.190 nan 0.000 0.456 297 A N -0.432 122.646 122.820 0.430 0.000 1.902 297 A HA -0.190 4.130 4.320 0.000 0.000 0.217 297 A C 2.032 179.702 177.584 0.143 0.000 1.181 297 A CA 1.825 54.083 52.037 0.368 0.000 0.623 297 A CB -0.666 18.436 19.000 0.171 0.000 0.818 297 A HN 0.470 nan 8.150 nan 0.000 0.443 298 F N -1.722 118.291 119.950 0.105 0.000 2.206 298 F HA -0.016 4.511 4.527 0.000 0.000 0.298 298 F C 1.963 177.840 175.800 0.129 0.000 1.090 298 F CA 1.285 59.314 58.000 0.048 0.000 1.323 298 F CB -0.486 38.532 39.000 0.031 0.000 1.028 298 F HN 0.363 nan 8.300 nan 0.000 0.492 299 F N 1.214 121.308 119.950 0.240 0.000 2.134 299 F HA -0.171 4.356 4.527 0.000 0.000 0.299 299 F C 2.295 178.229 175.800 0.223 0.000 1.097 299 F CA 1.525 59.659 58.000 0.224 0.000 1.264 299 F CB -0.573 38.542 39.000 0.192 0.000 1.001 299 F HN -0.281 nan 8.300 nan 0.000 0.479 300 K N 0.564 120.924 120.400 -0.067 0.000 2.034 300 K HA -0.173 4.147 4.320 0.000 0.000 0.214 300 K C 2.219 178.787 176.600 -0.054 0.000 1.051 300 K CA 1.853 58.043 56.287 -0.161 0.000 0.931 300 K CB -1.083 31.382 32.500 -0.059 0.000 0.715 300 K HN 0.280 nan 8.250 nan 0.000 0.446 301 V N 0.429 120.334 119.914 -0.014 0.000 2.332 301 V HA -0.224 3.896 4.120 0.000 0.000 0.248 301 V C 2.479 178.632 176.094 0.097 0.000 1.055 301 V CA 2.245 64.550 62.300 0.008 0.000 1.038 301 V CB -1.045 30.639 31.823 -0.231 0.000 0.651 301 V HN 0.476 nan 8.190 nan 0.000 0.450 302 G N -1.605 107.281 108.800 0.143 0.000 2.408 302 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 302 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 302 G C 1.556 176.581 174.900 0.209 0.000 1.150 302 G CA 0.838 46.145 45.100 0.344 0.000 0.776 302 G HN 0.613 nan 8.290 nan 0.000 0.542 303 H N 0.734 119.729 119.070 -0.125 0.000 2.495 303 H HA 0.151 4.707 4.556 0.000 0.000 0.287 303 H C 2.607 177.880 175.328 -0.091 0.000 1.033 303 H CA 0.881 56.798 56.048 -0.219 0.000 1.307 303 H CB 0.226 29.605 29.762 -0.639 0.000 1.401 303 H HN 0.346 nan 8.280 nan 0.000 0.555 304 A N 0.310 123.116 122.820 -0.025 0.000 1.840 304 A HA -0.076 4.244 4.320 0.000 0.000 0.214 304 A C 2.604 180.160 177.584 -0.046 0.000 1.198 304 A CA 1.237 53.258 52.037 -0.027 0.000 0.608 304 A CB -0.810 18.267 19.000 0.129 0.000 0.839 304 A HN 0.251 nan 8.150 nan 0.000 0.443 305 V N 0.304 120.253 119.914 0.059 0.000 2.867 305 V HA -0.136 3.984 4.120 0.000 0.000 0.260 305 V C 2.567 178.651 176.094 -0.017 0.000 1.099 305 V CA 1.604 63.942 62.300 0.062 0.000 1.122 305 V CB -1.364 30.565 31.823 0.177 0.000 0.708 305 V HN 0.617 nan 8.190 nan 0.000 0.490 306 G N -0.392 108.363 108.800 -0.075 0.000 2.404 306 G HA2 -0.134 3.826 3.960 0.000 0.000 0.213 306 G HA3 -0.134 3.826 3.960 0.000 0.000 0.213 306 G C 1.426 176.220 174.900 -0.176 0.000 1.189 306 G CA 0.321 45.338 45.100 -0.139 0.000 0.796 306 G HN 0.446 nan 8.290 nan 0.000 0.532 307 E N 0.882 120.925 120.200 -0.262 0.000 2.097 307 E HA -0.134 4.216 4.350 0.000 0.000 0.196 307 E C 1.968 178.482 176.600 -0.143 0.000 1.000 307 E CA 1.554 57.818 56.400 -0.227 0.000 0.804 307 E CB -0.780 28.769 29.700 -0.251 0.000 0.740 307 E HN 0.522 nan 8.360 nan 0.000 0.454 308 T N -0.500 113.978 114.554 -0.127 0.000 3.783 308 T HA 0.431 4.782 4.350 0.000 0.000 0.262 308 T C 0.554 175.210 174.700 -0.074 0.000 1.381 308 T CA -0.163 61.878 62.100 -0.098 0.000 1.155 308 T CB 0.014 68.818 68.868 -0.106 0.000 1.256 308 T HN 0.051 nan 8.240 nan 0.000 0.807 309 G N 1.562 110.319 108.800 -0.072 0.000 2.398 309 G HA2 0.273 4.233 3.960 0.000 0.000 0.246 309 G HA3 0.273 4.233 3.960 0.000 0.000 0.246 309 G C 0.619 175.491 174.900 -0.046 0.000 1.289 309 G CA -0.699 44.367 45.100 -0.057 0.000 0.869 309 G HN 0.594 nan 8.290 nan 0.000 0.543 310 N N -0.039 118.638 118.700 -0.039 0.000 2.714 310 N HA -0.172 4.568 4.740 0.000 0.000 0.250 310 N C 0.923 176.411 175.510 -0.036 0.000 1.117 310 N CA 1.297 54.327 53.050 -0.034 0.000 0.719 310 N CB -1.115 37.354 38.487 -0.031 0.000 1.081 310 N HN 0.883 nan 8.380 nan 0.000 0.557 311 G N -0.974 107.802 108.800 -0.040 0.000 2.890 311 G HA2 0.608 4.568 3.960 0.000 0.000 0.189 311 G HA3 0.608 4.568 3.960 0.000 0.000 0.189 311 G C -0.719 174.159 174.900 -0.037 0.000 1.342 311 G CA 0.136 45.210 45.100 -0.043 0.000 1.026 311 G HN 0.392 nan 8.290 nan 0.000 0.579 312 c N 0.349 118.925 118.600 -0.040 0.000 2.716 312 c HA 0.551 5.121 4.570 0.000 0.000 0.366 312 c C -0.363 173.710 174.090 -0.028 0.000 1.073 312 c CA -0.767 55.545 56.329 -0.027 0.000 1.260 312 c CB 0.275 42.770 42.510 -0.024 0.000 1.755 312 c HN 0.783 nan 8.230 nan 0.000 0.475 313 V N 2.772 122.686 119.914 0.000 0.000 2.432 313 V HA 0.458 4.579 4.120 0.000 0.000 0.275 313 V C 0.175 176.317 176.094 0.081 0.000 1.043 313 V CA -0.159 62.156 62.300 0.024 0.000 0.925 313 V CB 1.289 33.178 31.823 0.111 0.000 0.985 313 V HN 0.866 nan 8.190 nan 0.000 0.466 314 D N 3.038 123.491 120.400 0.088 0.000 2.455 314 D HA 0.023 4.663 4.640 0.000 0.000 0.241 314 D C 0.760 177.182 176.300 0.205 0.000 1.138 314 D CA -0.129 53.944 54.000 0.121 0.000 0.877 314 D CB 1.285 42.152 40.800 0.111 0.000 1.187 314 D HN 0.597 nan 8.370 nan 0.000 0.451 315 L N 4.439 125.760 121.223 0.164 0.000 2.191 315 L HA -0.093 4.247 4.340 0.000 0.000 0.212 315 L C 2.054 179.117 176.870 0.321 0.000 1.103 315 L CA 1.627 56.590 54.840 0.205 0.000 0.769 315 L CB -0.287 41.889 42.059 0.195 0.000 0.908 315 L HN 0.476 nan 8.230 nan 0.000 0.438 316 R N -1.502 119.182 120.500 0.306 0.000 2.092 316 R HA -0.221 4.119 4.340 0.000 0.000 0.231 316 R C 2.172 178.649 176.300 0.295 0.000 1.119 316 R CA 1.711 58.016 56.100 0.341 0.000 0.970 316 R CB -0.804 29.532 30.300 0.060 0.000 0.864 316 R HN 0.604 nan 8.270 nan 0.000 0.440 317 W N 2.216 123.590 121.300 0.124 0.000 2.355 317 W HA -0.182 4.478 4.660 0.000 0.000 0.309 317 W C 1.468 178.081 176.519 0.157 0.000 1.206 317 W CA 1.411 58.824 57.345 0.115 0.000 1.284 317 W CB -0.227 29.283 29.460 0.084 0.000 1.145 317 W HN 0.048 nan 8.180 nan 0.000 0.502 318 L N 1.227 122.571 121.223 0.202 0.000 2.005 318 L HA -0.173 4.167 4.340 0.000 0.000 0.207 318 L C 2.926 179.854 176.870 0.097 0.000 1.072 318 L CA 1.561 56.501 54.840 0.167 0.000 0.744 318 L CB -1.760 40.381 42.059 0.137 0.000 0.895 318 L HN -0.076 nan 8.230 nan 0.000 0.433 319 A N -0.066 122.799 122.820 0.074 0.000 2.042 319 A HA -0.272 4.048 4.320 0.000 0.000 0.222 319 A C 2.444 180.040 177.584 0.021 0.000 1.167 319 A CA 2.240 54.282 52.037 0.009 0.000 0.649 319 A CB -0.456 18.492 19.000 -0.087 0.000 0.809 319 A HN 0.420 nan 8.150 nan 0.000 0.457 320 K N -1.188 119.207 120.400 -0.009 0.000 2.121 320 K HA 0.024 4.344 4.320 0.000 0.000 0.203 320 K C 2.265 178.811 176.600 -0.089 0.000 1.041 320 K CA 1.019 57.283 56.287 -0.039 0.000 0.969 320 K CB -0.057 32.384 32.500 -0.099 0.000 0.799 320 K HN 0.396 nan 8.250 nan 0.000 0.456 321 S N 0.780 116.274 115.700 -0.344 0.000 2.343 321 S HA -0.089 4.382 4.470 0.000 0.000 0.219 321 S C 1.639 176.100 174.600 -0.231 0.000 1.033 321 S CA 1.340 59.286 58.200 -0.424 0.000 1.014 321 S CB -0.389 62.369 63.200 -0.736 0.000 0.915 321 S HN 0.264 nan 8.310 nan 0.000 0.435 322 F N 0.699 120.540 119.950 -0.181 0.000 2.408 322 F HA -0.027 4.500 4.527 0.000 0.000 0.300 322 F C 1.809 177.551 175.800 -0.097 0.000 1.090 322 F CA 0.647 58.573 58.000 -0.123 0.000 1.427 322 F CB -0.286 38.678 39.000 -0.060 0.000 1.070 322 F HN 0.215 nan 8.300 nan 0.000 0.549 323 F N 1.234 121.155 119.950 -0.048 0.000 2.098 323 F HA -0.126 4.401 4.527 0.000 0.000 0.294 323 F C 2.302 178.006 175.800 -0.161 0.000 1.107 323 F CA 1.454 59.391 58.000 -0.105 0.000 1.234 323 F CB -0.539 38.396 39.000 -0.108 0.000 1.002 323 F HN -0.196 nan 8.300 nan 0.000 0.472 324 E N 0.857 120.852 120.200 -0.342 0.000 2.209 324 E HA -0.200 4.150 4.350 0.000 0.000 0.196 324 E C 2.403 178.731 176.600 -0.454 0.000 0.993 324 E CA 1.247 57.393 56.400 -0.422 0.000 0.819 324 E CB -0.546 29.034 29.700 -0.201 0.000 0.745 324 E HN 0.501 nan 8.360 nan 0.000 0.477 325 L N 0.270 121.211 121.223 -0.469 0.000 2.095 325 L HA -0.096 4.244 4.340 0.000 0.000 0.204 325 L C 2.467 179.150 176.870 -0.312 0.000 1.080 325 L CA 1.177 55.671 54.840 -0.577 0.000 0.759 325 L CB -0.508 41.086 42.059 -0.774 0.000 0.914 325 L HN 0.077 nan 8.230 nan 0.000 0.439 326 T N -0.582 113.806 114.554 -0.277 0.000 2.708 326 T HA -0.217 4.133 4.350 0.000 0.000 0.266 326 T C 1.885 176.398 174.700 -0.312 0.000 1.037 326 T CA 1.593 63.571 62.100 -0.203 0.000 1.146 326 T CB -0.357 68.403 68.868 -0.180 0.000 0.865 326 T HN 0.170 nan 8.240 nan 0.000 0.435 327 V N 1.232 120.800 119.914 -0.577 0.000 2.407 327 V HA -0.080 4.040 4.120 0.000 0.000 0.248 327 V C 2.233 178.169 176.094 -0.265 0.000 1.055 327 V CA 1.446 63.390 62.300 -0.595 0.000 1.049 327 V CB -0.486 30.826 31.823 -0.851 0.000 0.662 327 V HN 0.379 nan 8.190 nan 0.000 0.455 328 L N 0.808 121.901 121.223 -0.217 0.000 2.005 328 L HA -0.128 4.212 4.340 0.000 0.000 0.207 328 L C 2.538 179.432 176.870 0.040 0.000 1.072 328 L CA 2.683 57.482 54.840 -0.069 0.000 0.744 328 L CB -0.989 41.028 42.059 -0.070 0.000 0.895 328 L HN 0.398 nan 8.230 nan 0.000 0.433 329 K N -0.730 119.735 120.400 0.108 0.000 2.113 329 K HA -0.229 4.091 4.320 0.000 0.000 0.208 329 K C 1.652 178.268 176.600 0.026 0.000 1.047 329 K CA 1.916 58.282 56.287 0.131 0.000 0.928 329 K CB -0.236 32.363 32.500 0.165 0.000 0.716 329 K HN 0.459 nan 8.250 nan 0.000 0.446 330 D N 0.924 121.309 120.400 -0.025 0.000 2.084 330 D HA -0.180 4.460 4.640 0.000 0.000 0.196 330 D C 1.963 178.237 176.300 -0.044 0.000 0.985 330 D CA 1.204 55.179 54.000 -0.041 0.000 0.826 330 D CB -0.215 40.546 40.800 -0.066 0.000 0.978 330 D HN 0.328 nan 8.370 nan 0.000 0.456 331 I N 0.924 121.466 120.570 -0.048 0.000 2.286 331 I HA -0.232 3.938 4.170 0.000 0.000 0.248 331 I C 2.176 178.229 176.117 -0.107 0.000 1.115 331 I CA 0.903 62.157 61.300 -0.077 0.000 1.392 331 I CB 0.034 37.994 38.000 -0.067 0.000 1.065 331 I HN -0.094 nan 8.210 nan 0.000 0.418 332 I N 0.720 121.261 120.570 -0.047 0.000 2.361 332 I HA -0.213 3.957 4.170 0.000 0.000 0.251 332 I C 2.433 178.544 176.117 -0.010 0.000 1.133 332 I CA 1.496 62.790 61.300 -0.011 0.000 1.413 332 I CB -0.728 37.315 38.000 0.073 0.000 1.073 332 I HN 0.345 nan 8.210 nan 0.000 0.424 333 G N 0.638 109.428 108.800 -0.017 0.000 2.441 333 G HA2 -0.032 3.928 3.960 0.000 0.000 0.212 333 G HA3 -0.032 3.928 3.960 0.000 0.000 0.212 333 G C 1.661 176.539 174.900 -0.036 0.000 1.164 333 G CA 0.116 45.213 45.100 -0.006 0.000 0.811 333 G HN 0.264 nan 8.290 nan 0.000 0.535 334 I N 0.238 120.766 120.570 -0.070 0.000 2.286 334 I HA -0.180 3.990 4.170 0.000 0.000 0.248 334 I C 2.837 178.881 176.117 -0.121 0.000 1.115 334 I CA 0.599 61.847 61.300 -0.086 0.000 1.392 334 I CB -0.293 37.649 38.000 -0.097 0.000 1.065 334 I HN 0.321 nan 8.210 nan 0.000 0.418 335 c N 0.116 118.588 118.600 -0.214 0.000 2.675 335 c HA -0.070 4.500 4.570 0.000 0.000 0.285 335 c C 1.085 175.029 174.090 -0.242 0.000 1.282 335 c CA 0.190 56.300 56.329 -0.365 0.000 1.708 335 c CB -0.550 41.515 42.510 -0.741 0.000 2.134 335 c HN 0.269 nan 8.230 nan 0.000 0.494 336 Y N -0.084 120.222 120.300 0.009 0.000 2.419 336 Y HA 0.473 5.023 4.550 0.000 0.000 0.328 336 Y C 1.116 177.025 175.900 0.016 0.000 1.162 336 Y CA -0.698 57.416 58.100 0.022 0.000 1.174 336 Y CB 0.250 38.739 38.460 0.048 0.000 1.228 336 Y HN 0.286 nan 8.280 nan 0.000 0.473 337 G N 0.797 109.708 108.800 0.185 0.000 3.397 337 G HA2 0.359 4.319 3.960 0.000 0.000 0.248 337 G HA3 0.359 4.319 3.960 0.000 0.000 0.248 337 G C 0.157 175.112 174.900 0.092 0.000 1.284 337 G CA 0.054 45.212 45.100 0.097 0.000 1.570 337 G HN 0.747 nan 8.290 nan 0.000 0.587 338 A N 0.445 123.342 122.820 0.129 0.000 2.340 338 A HA 0.767 5.087 4.320 0.000 0.000 0.268 338 A C 0.482 178.094 177.584 0.046 0.000 1.100 338 A CA -0.136 51.961 52.037 0.099 0.000 0.803 338 A CB 0.838 19.938 19.000 0.167 0.000 1.043 338 A HN 0.284 nan 8.150 nan 0.000 0.488 339 T N 0.304 114.869 114.554 0.018 0.000 2.924 339 T HA 0.643 4.993 4.350 0.000 0.000 0.291 339 T C -0.773 173.907 174.700 -0.033 0.000 1.045 339 T CA -0.513 61.588 62.100 0.002 0.000 1.015 339 T CB 1.639 70.518 68.868 0.019 0.000 1.103 339 T HN 0.601 nan 8.240 nan 0.000 0.496 340 V N 2.214 122.085 119.914 -0.072 0.000 2.686 340 V HA 0.679 4.799 4.120 0.000 0.000 0.306 340 V C -0.826 175.185 176.094 -0.138 0.000 1.065 340 V CA -1.038 61.156 62.300 -0.177 0.000 0.894 340 V CB 1.803 33.428 31.823 -0.331 0.000 1.004 340 V HN 0.990 nan 8.190 nan 0.000 0.424 341 K N 2.796 123.064 120.400 -0.220 0.000 2.553 341 K HA 0.833 5.153 4.320 0.000 0.000 0.250 341 K C 0.214 176.715 176.600 -0.165 0.000 0.953 341 K CA -0.053 56.124 56.287 -0.183 0.000 0.800 341 K CB 2.188 34.469 32.500 -0.366 0.000 1.243 341 K HN 1.052 nan 8.250 nan 0.000 0.435 342 G N 2.457 111.318 108.800 0.101 0.000 3.031 342 G HA2 -0.170 3.790 3.960 0.000 0.000 0.198 342 G HA3 -0.170 3.790 3.960 0.000 0.000 0.198 342 G C 0.202 175.080 174.900 -0.037 0.000 1.242 342 G CA -0.318 44.823 45.100 0.069 0.000 0.878 342 G HN 0.460 nan 8.290 nan 0.000 0.493 343 M N 2.350 121.943 119.600 -0.012 0.000 3.722 343 M HA 0.456 4.936 4.480 0.000 0.000 0.183 343 M C 0.397 176.848 176.300 0.252 0.000 1.485 343 M CA 0.548 55.906 55.300 0.097 0.000 1.685 343 M CB -1.007 31.771 32.600 0.297 0.000 1.198 343 M HN 0.696 nan 8.290 nan 0.000 0.494 344 Q N -0.016 119.932 119.800 0.247 0.000 2.479 344 Q HA 0.520 4.861 4.340 0.000 0.000 0.276 344 Q C -1.500 174.590 176.000 0.149 0.000 0.989 344 Q CA -0.628 55.352 55.803 0.295 0.000 0.864 344 Q CB 1.722 30.596 28.738 0.227 0.000 1.444 344 Q HN 0.215 nan 8.270 nan 0.000 0.388 345 S N 2.268 117.999 115.700 0.051 0.000 2.614 345 S HA 0.336 4.806 4.470 0.000 0.000 0.288 345 S C 0.228 174.754 174.600 -0.124 0.000 1.137 345 S CA -0.221 57.937 58.200 -0.071 0.000 0.992 345 S CB 0.270 63.375 63.200 -0.159 0.000 1.026 345 S HN 1.040 nan 8.310 nan 0.000 0.486 346 Y N 2.627 122.884 120.300 -0.071 0.000 2.446 346 Y HA 0.122 4.672 4.550 0.000 0.000 0.287 346 Y C 1.683 177.541 175.900 -0.070 0.000 1.159 346 Y CA 1.160 59.220 58.100 -0.067 0.000 1.297 346 Y CB -0.995 37.418 38.460 -0.077 0.000 0.974 346 Y HN 0.698 nan 8.280 nan 0.000 0.557 347 G N 1.552 109.968 108.800 -0.641 0.000 2.434 347 G HA2 -0.268 3.693 3.960 0.000 0.000 0.214 347 G HA3 -0.268 3.693 3.960 0.000 0.000 0.214 347 G C 1.456 176.219 174.900 -0.229 0.000 1.202 347 G CA 1.009 45.841 45.100 -0.447 0.000 0.788 347 G HN 0.462 nan 8.290 nan 0.000 0.539 348 L N 0.907 121.975 121.223 -0.259 0.000 2.129 348 L HA -0.077 4.263 4.340 0.000 0.000 0.212 348 L C 2.558 179.331 176.870 -0.161 0.000 1.087 348 L CA 2.124 56.820 54.840 -0.239 0.000 0.757 348 L CB -0.466 41.347 42.059 -0.409 0.000 0.896 348 L HN 0.409 nan 8.230 nan 0.000 0.434 349 E N -0.823 119.307 120.200 -0.116 0.000 2.046 349 E HA -0.197 4.153 4.350 0.000 0.000 0.190 349 E C 2.334 178.919 176.600 -0.024 0.000 0.982 349 E CA 0.969 57.341 56.400 -0.046 0.000 0.800 349 E CB -0.160 29.544 29.700 0.007 0.000 0.756 349 E HN 0.480 nan 8.360 nan 0.000 0.449 350 R N 0.522 121.017 120.500 -0.008 0.000 2.096 350 R HA -0.136 4.204 4.340 0.000 0.000 0.235 350 R C 2.472 178.765 176.300 -0.012 0.000 1.127 350 R CA 0.771 56.877 56.100 0.009 0.000 0.968 350 R CB -0.255 30.073 30.300 0.046 0.000 0.861 350 R HN 0.099 nan 8.270 nan 0.000 0.440 351 L N 0.384 121.585 121.223 -0.036 0.000 1.994 351 L HA -0.131 4.210 4.340 0.000 0.000 0.208 351 L C 2.244 179.094 176.870 -0.034 0.000 1.071 351 L CA 2.163 56.982 54.840 -0.035 0.000 0.745 351 L CB -0.625 41.401 42.059 -0.056 0.000 0.892 351 L HN 0.139 nan 8.230 nan 0.000 0.431 352 A N -0.439 122.349 122.820 -0.053 0.000 1.908 352 A HA -0.181 4.139 4.320 0.000 0.000 0.218 352 A C 2.446 180.003 177.584 -0.045 0.000 1.181 352 A CA 2.109 54.109 52.037 -0.063 0.000 0.627 352 A CB -1.313 17.640 19.000 -0.078 0.000 0.818 352 A HN 0.630 nan 8.150 nan 0.000 0.445 353 A N -0.492 122.309 122.820 -0.031 0.000 1.865 353 A HA -0.176 4.144 4.320 0.000 0.000 0.217 353 A C 2.306 179.880 177.584 -0.018 0.000 1.191 353 A CA 1.986 54.008 52.037 -0.025 0.000 0.623 353 A CB -0.601 18.386 19.000 -0.022 0.000 0.826 353 A HN 0.537 nan 8.150 nan 0.000 0.444 354 M N -1.060 118.534 119.600 -0.010 0.000 2.080 354 M HA -0.130 4.350 4.480 0.000 0.000 0.260 354 M C 2.358 178.659 176.300 0.001 0.000 1.068 354 M CA 1.747 57.047 55.300 -0.001 0.000 1.109 354 M CB -0.543 32.062 32.600 0.008 0.000 1.342 354 M HN 0.540 nan 8.290 nan 0.000 0.405 355 L N 0.241 121.463 121.223 -0.002 0.000 2.013 355 L HA -0.286 4.055 4.340 0.000 0.000 0.212 355 L C 2.578 179.449 176.870 0.001 0.000 1.073 355 L CA 1.401 56.244 54.840 0.005 0.000 0.753 355 L CB -0.181 41.880 42.059 0.004 0.000 0.890 355 L HN 0.310 nan 8.230 nan 0.000 0.432 356 M N -0.455 119.135 119.600 -0.016 0.000 2.117 356 M HA -0.157 4.323 4.480 0.000 0.000 0.262 356 M C 2.431 178.730 176.300 -0.000 0.000 1.065 356 M CA 1.798 57.089 55.300 -0.015 0.000 1.114 356 M CB -1.595 30.989 32.600 -0.027 0.000 1.361 356 M HN 0.437 nan 8.290 nan 0.000 0.408 357 A N -0.164 122.656 122.820 0.000 0.000 2.186 357 A HA -0.077 4.244 4.320 0.000 0.000 0.219 357 A C 1.488 179.079 177.584 0.012 0.000 1.159 357 A CA 1.754 53.795 52.037 0.006 0.000 0.680 357 A CB -1.077 17.926 19.000 0.004 0.000 0.787 357 A HN 0.588 nan 8.150 nan 0.000 0.467 358 T N -2.696 111.866 114.554 0.014 0.000 3.255 358 T HA 0.538 4.888 4.350 0.000 0.000 0.243 358 T C -0.529 174.185 174.700 0.023 0.000 1.057 358 T CA -0.231 61.880 62.100 0.018 0.000 1.121 358 T CB -0.133 68.746 68.868 0.019 0.000 1.104 358 T HN 0.492 nan 8.240 nan 0.000 0.571 359 V N 0.359 120.287 119.914 0.024 0.000 3.048 359 V HA 0.572 4.692 4.120 0.000 0.000 0.303 359 V C -1.259 174.853 176.094 0.031 0.000 1.214 359 V CA -1.096 61.221 62.300 0.029 0.000 0.984 359 V CB 2.370 34.212 31.823 0.032 0.000 1.054 359 V HN 0.377 nan 8.190 nan 0.000 0.430 360 K N 5.538 125.959 120.400 0.035 0.000 2.021 360 K HA 0.201 4.521 4.320 0.000 0.000 0.238 360 K C 1.157 177.783 176.600 0.042 0.000 1.149 360 K CA 0.192 56.503 56.287 0.040 0.000 1.105 360 K CB -0.013 32.515 32.500 0.047 0.000 1.246 360 K HN 0.594 nan 8.250 nan 0.000 0.307 361 M N 0.529 120.151 119.600 0.037 0.000 2.086 361 M HA -0.163 4.317 4.480 0.000 0.000 0.261 361 M C 1.434 177.756 176.300 0.036 0.000 1.067 361 M CA 1.608 56.928 55.300 0.034 0.000 1.116 361 M CB -0.530 32.090 32.600 0.032 0.000 1.348 361 M HN 0.613 nan 8.290 nan 0.000 0.407 362 E N 0.143 120.369 120.200 0.043 0.000 2.510 362 E HA -0.168 4.182 4.350 0.000 0.000 0.202 362 E C 0.933 177.566 176.600 0.056 0.000 1.072 362 E CA 0.536 56.965 56.400 0.047 0.000 0.883 362 E CB 0.169 29.902 29.700 0.054 0.000 0.818 362 E HN 0.474 nan 8.360 nan 0.000 0.548 363 E N -0.270 119.969 120.200 0.065 0.000 2.810 363 E HA 0.069 4.419 4.350 0.000 0.000 0.214 363 E C 1.288 177.928 176.600 0.066 0.000 0.980 363 E CA -0.177 56.294 56.400 0.120 0.000 1.159 363 E CB 0.351 30.149 29.700 0.164 0.000 1.047 363 E HN 0.248 nan 8.360 nan 0.000 0.484 364 L N -0.088 121.145 121.223 0.017 0.000 2.083 364 L HA -0.017 4.323 4.340 0.000 0.000 0.209 364 L C 2.081 178.936 176.870 -0.025 0.000 1.083 364 L CA 1.683 56.529 54.840 0.010 0.000 0.752 364 L CB -0.152 41.911 42.059 0.008 0.000 0.899 364 L HN 0.313 nan 8.230 nan 0.000 0.433 365 G N -1.701 107.034 108.800 -0.108 0.000 2.448 365 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 365 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 365 G C 1.164 175.963 174.900 -0.168 0.000 1.127 365 G CA 0.424 45.424 45.100 -0.168 0.000 0.766 365 G HN 0.490 nan 8.290 nan 0.000 0.552 366 H N -0.858 118.223 119.070 0.017 0.000 2.547 366 H HA 0.205 4.761 4.556 0.000 0.000 0.266 366 H C 0.862 176.198 175.328 0.013 0.000 0.988 366 H CA -0.273 55.782 56.048 0.012 0.000 1.147 366 H CB 0.156 29.923 29.762 0.010 0.000 1.365 366 H HN 0.229 nan 8.280 nan 0.000 0.589 367 L N 1.107 122.387 121.223 0.094 0.000 2.488 367 L HA 0.165 4.505 4.340 0.000 0.000 0.249 367 L C 1.187 178.086 176.870 0.048 0.000 1.151 367 L CA -0.344 54.536 54.840 0.067 0.000 0.806 367 L CB 0.883 42.974 42.059 0.053 0.000 1.261 367 L HN 0.149 nan 8.230 nan 0.000 0.484 368 T N -2.340 112.237 114.554 0.039 0.000 2.754 368 T HA 0.164 4.514 4.350 0.000 0.000 0.286 368 T C 1.050 175.766 174.700 0.027 0.000 0.997 368 T CA 0.265 62.383 62.100 0.030 0.000 0.982 368 T CB 0.431 69.312 68.868 0.023 0.000 1.027 368 T HN 0.656 nan 8.240 nan 0.000 0.529 369 T N 0.227 114.794 114.554 0.022 0.000 2.639 369 T HA -0.082 4.268 4.350 0.000 0.000 0.261 369 T C 1.784 176.496 174.700 0.021 0.000 1.053 369 T CA 1.380 63.492 62.100 0.019 0.000 1.158 369 T CB -0.549 68.330 68.868 0.019 0.000 0.863 369 T HN 0.830 nan 8.240 nan 0.000 0.413 370 E N 0.809 121.021 120.200 0.020 0.000 2.097 370 E HA -0.240 4.110 4.350 0.000 0.000 0.196 370 E C 2.053 178.678 176.600 0.042 0.000 1.000 370 E CA 1.136 57.549 56.400 0.022 0.000 0.804 370 E CB 0.027 29.731 29.700 0.007 0.000 0.740 370 E HN 0.193 nan 8.360 nan 0.000 0.454 371 K N 0.337 120.760 120.400 0.040 0.000 2.148 371 K HA -0.133 4.187 4.320 0.000 0.000 0.204 371 K C 2.141 178.798 176.600 0.095 0.000 1.050 371 K CA 0.828 57.159 56.287 0.075 0.000 0.942 371 K CB -0.255 32.276 32.500 0.052 0.000 0.724 371 K HN 0.283 nan 8.250 nan 0.000 0.446 372 Q N 0.945 120.775 119.800 0.049 0.000 2.079 372 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 372 Q C 1.767 177.765 176.000 -0.002 0.000 0.974 372 Q CA 1.420 57.236 55.803 0.022 0.000 0.840 372 Q CB 0.202 28.944 28.738 0.007 0.000 0.898 372 Q HN 0.343 nan 8.270 nan 0.000 0.430 373 E N -0.451 119.749 120.200 -0.001 0.000 2.007 373 E HA -0.247 4.103 4.350 0.000 0.000 0.194 373 E C 1.804 178.370 176.600 -0.057 0.000 0.999 373 E CA 1.310 57.678 56.400 -0.053 0.000 0.811 373 E CB -0.431 29.249 29.700 -0.033 0.000 0.762 373 E HN 0.375 nan 8.360 nan 0.000 0.450 374 Y N 1.603 121.844 120.300 -0.097 0.000 2.132 374 Y HA -0.365 4.185 4.550 0.000 0.000 0.280 374 Y C 2.087 177.937 175.900 -0.084 0.000 1.193 374 Y CA 1.658 59.707 58.100 -0.085 0.000 1.157 374 Y CB -0.516 37.919 38.460 -0.042 0.000 0.966 374 Y HN 0.056 nan 8.280 nan 0.000 0.511 375 A N -0.068 122.716 122.820 -0.060 0.000 1.828 375 A HA -0.178 4.142 4.320 0.000 0.000 0.215 375 A C 2.118 179.594 177.584 -0.179 0.000 1.203 375 A CA 1.955 53.919 52.037 -0.123 0.000 0.614 375 A CB -1.317 17.676 19.000 -0.012 0.000 0.844 375 A HN 0.420 nan 8.150 nan 0.000 0.445 376 L N -0.314 120.824 121.223 -0.141 0.000 2.042 376 L HA -0.154 4.186 4.340 0.000 0.000 0.210 376 L C 2.589 179.308 176.870 -0.251 0.000 1.076 376 L CA 1.934 56.681 54.840 -0.155 0.000 0.749 376 L CB -0.811 41.164 42.059 -0.140 0.000 0.893 376 L HN 0.406 nan 8.230 nan 0.000 0.432 377 R N -0.188 120.095 120.500 -0.362 0.000 2.122 377 R HA -0.236 4.104 4.340 0.000 0.000 0.236 377 R C 2.272 178.370 176.300 -0.337 0.000 1.129 377 R CA 2.391 58.164 56.100 -0.546 0.000 0.925 377 R CB -0.637 29.373 30.300 -0.483 0.000 0.850 377 R HN 0.425 nan 8.270 nan 0.000 0.431 378 L N -1.385 119.638 121.223 -0.333 0.000 2.275 378 L HA 0.129 4.469 4.340 0.000 0.000 0.215 378 L C 2.125 178.909 176.870 -0.143 0.000 1.119 378 L CA 1.802 56.492 54.840 -0.250 0.000 0.790 378 L CB -0.465 41.347 42.059 -0.411 0.000 0.919 378 L HN 0.060 nan 8.230 nan 0.000 0.443 379 A N -0.030 122.707 122.820 -0.138 0.000 2.019 379 A HA -0.126 4.194 4.320 0.000 0.000 0.219 379 A C 2.269 179.873 177.584 0.032 0.000 1.164 379 A CA 2.128 54.137 52.037 -0.046 0.000 0.644 379 A CB -1.123 17.851 19.000 -0.044 0.000 0.805 379 A HN 0.560 nan 8.150 nan 0.000 0.449 380 T N -0.550 114.013 114.554 0.015 0.000 2.851 380 T HA -0.053 4.297 4.350 0.000 0.000 0.262 380 T C 1.874 176.630 174.700 0.094 0.000 1.043 380 T CA 1.373 63.515 62.100 0.070 0.000 1.140 380 T CB -0.301 68.652 68.868 0.143 0.000 0.872 380 T HN 0.180 nan 8.240 nan 0.000 0.446 381 V N 1.364 121.324 119.914 0.077 0.000 2.407 381 V HA -0.043 4.077 4.120 0.000 0.000 0.248 381 V C 2.692 178.817 176.094 0.052 0.000 1.055 381 V CA 1.972 64.312 62.300 0.067 0.000 1.049 381 V CB -1.056 30.787 31.823 0.034 0.000 0.662 381 V HN 0.591 nan 8.190 nan 0.000 0.455 382 G N -2.338 106.486 108.800 0.039 0.000 2.939 382 G HA2 -0.133 3.828 3.960 0.000 0.000 0.210 382 G HA3 -0.133 3.828 3.960 0.000 0.000 0.210 382 G C 1.265 176.206 174.900 0.068 0.000 1.160 382 G CA 0.188 45.307 45.100 0.031 0.000 0.770 382 G HN 0.490 nan 8.290 nan 0.000 0.543 383 Y N 2.650 122.940 120.300 -0.017 0.000 2.096 383 Y HA -0.190 4.360 4.550 0.000 0.000 0.278 383 Y C 0.117 176.014 175.900 -0.006 0.000 1.192 383 Y CA 2.289 60.381 58.100 -0.014 0.000 1.143 383 Y CB -0.883 37.569 38.460 -0.013 0.000 0.963 383 Y HN 0.244 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.440 178.744 177.300 0.006 0.000 1.193 384 P CA 1.943 65.114 63.100 0.119 0.000 0.929 384 P CB -0.088 31.692 31.700 0.134 0.000 0.772 385 K N -0.601 119.813 120.400 0.024 0.000 2.228 385 K HA -0.067 4.253 4.320 0.000 0.000 0.205 385 K C 0.800 177.388 176.600 -0.020 0.000 1.045 385 K CA 1.271 57.565 56.287 0.012 0.000 0.931 385 K CB -0.504 32.022 32.500 0.042 0.000 0.727 385 K HN 0.226 nan 8.250 nan 0.000 0.458 386 A N -2.394 120.393 122.820 -0.054 0.000 2.601 386 A HA 0.554 4.875 4.320 0.000 0.000 0.291 386 A C -0.207 177.296 177.584 -0.136 0.000 1.075 386 A CA 0.024 52.018 52.037 -0.072 0.000 0.671 386 A CB 1.430 20.410 19.000 -0.034 0.000 1.277 386 A HN 0.169 nan 8.150 nan 0.000 0.417 387 G N -0.659 108.068 108.800 -0.121 0.000 2.327 387 G HA2 0.070 4.030 3.960 0.000 0.000 0.159 387 G HA3 0.070 4.030 3.960 0.000 0.000 0.159 387 G C 0.339 175.113 174.900 -0.209 0.000 1.056 387 G CA 0.230 45.238 45.100 -0.153 0.000 0.751 387 G HN 1.533 nan 8.290 nan 0.000 0.488 388 V N -1.186 118.651 119.914 -0.129 0.000 3.041 388 V HA 0.126 4.246 4.120 0.000 0.000 0.260 388 V C 1.371 177.361 176.094 -0.174 0.000 1.105 388 V CA 1.597 63.806 62.300 -0.152 0.000 1.125 388 V CB -0.332 31.449 31.823 -0.069 0.000 0.730 388 V HN 0.515 nan 8.190 nan 0.000 0.479 389 Y N -0.604 119.651 120.300 -0.075 0.000 2.768 389 Y HA 0.431 4.982 4.550 0.000 0.000 0.249 389 Y C 0.898 176.773 175.900 -0.041 0.000 1.146 389 Y CA -0.491 57.581 58.100 -0.047 0.000 1.171 389 Y CB 0.925 39.365 38.460 -0.033 0.000 1.249 389 Y HN 0.105 nan 8.280 nan 0.000 0.567 390 S N -0.368 115.365 115.700 0.054 0.000 2.554 390 S HA 0.484 4.954 4.470 0.000 0.000 0.278 390 S C 1.072 175.684 174.600 0.020 0.000 1.242 390 S CA -0.145 58.075 58.200 0.033 0.000 1.051 390 S CB 0.896 64.091 63.200 -0.007 0.000 0.986 390 S HN 0.531 nan 8.310 nan 0.000 0.502 391 G N 4.518 113.339 108.800 0.036 0.000 3.263 391 G HA2 0.172 4.132 3.960 0.000 0.000 0.246 391 G HA3 0.172 4.132 3.960 0.000 0.000 0.246 391 G C 0.831 175.750 174.900 0.032 0.000 0.982 391 G CA -0.166 44.955 45.100 0.036 0.000 1.897 391 G HN 0.760 nan 8.290 nan 0.000 0.624 392 L N -0.192 121.049 121.223 0.029 0.000 2.005 392 L HA -0.073 4.267 4.340 0.000 0.000 0.207 392 L C 2.602 179.507 176.870 0.058 0.000 1.072 392 L CA 0.861 55.730 54.840 0.048 0.000 0.744 392 L CB -0.200 41.908 42.059 0.082 0.000 0.895 392 L HN 0.315 nan 8.230 nan 0.000 0.433 393 I N 0.039 120.646 120.570 0.062 0.000 2.335 393 I HA -0.193 3.977 4.170 0.000 0.000 0.251 393 I C 2.540 178.693 176.117 0.059 0.000 1.129 393 I CA 1.460 62.787 61.300 0.045 0.000 1.402 393 I CB -1.217 36.798 38.000 0.024 0.000 1.069 393 I HN 0.187 nan 8.210 nan 0.000 0.424 394 G N 0.520 109.353 108.800 0.054 0.000 2.421 394 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 394 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 394 G C 1.856 176.793 174.900 0.062 0.000 1.171 394 G CA 0.796 45.933 45.100 0.061 0.000 0.775 394 G HN 0.500 nan 8.290 nan 0.000 0.543 395 G N 1.098 109.927 108.800 0.049 0.000 2.440 395 G HA2 0.026 3.986 3.960 0.000 0.000 0.218 395 G HA3 0.026 3.986 3.960 0.000 0.000 0.218 395 G C 2.037 176.969 174.900 0.054 0.000 1.154 395 G CA 1.518 46.641 45.100 0.039 0.000 0.767 395 G HN 0.675 nan 8.290 nan 0.000 0.552 396 A N 0.092 122.959 122.820 0.077 0.000 2.019 396 A HA 0.024 4.344 4.320 0.000 0.000 0.219 396 A C 2.501 180.236 177.584 0.251 0.000 1.164 396 A CA 2.367 54.486 52.037 0.137 0.000 0.644 396 A CB -0.619 18.438 19.000 0.095 0.000 0.805 396 A HN 0.319 nan 8.150 nan 0.000 0.449 397 T N -0.582 114.097 114.554 0.208 0.000 2.770 397 T HA -0.060 4.291 4.350 0.000 0.000 0.258 397 T C 2.285 177.021 174.700 0.061 0.000 1.039 397 T CA 1.410 63.621 62.100 0.185 0.000 1.143 397 T CB -0.310 68.656 68.868 0.163 0.000 0.866 397 T HN 0.453 nan 8.240 nan 0.000 0.428 398 S N 0.988 116.711 115.700 0.038 0.000 2.365 398 S HA -0.127 4.343 4.470 0.000 0.000 0.225 398 S C 2.245 176.814 174.600 -0.051 0.000 1.039 398 S CA 1.193 59.380 58.200 -0.022 0.000 1.033 398 S CB -0.740 62.440 63.200 -0.033 0.000 0.887 398 S HN 0.316 nan 8.310 nan 0.000 0.447 399 V N 1.834 121.736 119.914 -0.021 0.000 2.343 399 V HA -0.125 3.995 4.120 0.000 0.000 0.247 399 V C 2.067 178.147 176.094 -0.025 0.000 1.051 399 V CA 1.855 64.139 62.300 -0.025 0.000 1.036 399 V CB -0.411 31.410 31.823 -0.004 0.000 0.654 399 V HN 0.467 nan 8.190 nan 0.000 0.451 400 L N -0.204 121.001 121.223 -0.030 0.000 2.027 400 L HA -0.047 4.293 4.340 0.000 0.000 0.206 400 L C 2.219 179.064 176.870 -0.042 0.000 1.074 400 L CA 2.416 57.200 54.840 -0.093 0.000 0.745 400 L CB -1.009 40.853 42.059 -0.327 0.000 0.898 400 L HN 0.385 nan 8.230 nan 0.000 0.433 401 L N -0.535 120.673 121.223 -0.025 0.000 2.021 401 L HA -0.250 4.090 4.340 0.000 0.000 0.215 401 L C 2.533 179.425 176.870 0.037 0.000 1.074 401 L CA 2.277 57.139 54.840 0.037 0.000 0.760 401 L CB -1.034 41.036 42.059 0.019 0.000 0.889 401 L HN 0.384 nan 8.230 nan 0.000 0.433 402 S N -0.361 115.327 115.700 -0.021 0.000 2.359 402 S HA -0.220 4.250 4.470 0.000 0.000 0.224 402 S C 2.097 176.715 174.600 0.031 0.000 1.035 402 S CA 1.244 59.429 58.200 -0.025 0.000 1.018 402 S CB -0.770 62.390 63.200 -0.067 0.000 0.876 402 S HN 0.702 nan 8.310 nan 0.000 0.448 403 A N 0.996 123.846 122.820 0.050 0.000 1.892 403 A HA -0.198 4.123 4.320 0.000 0.000 0.218 403 A C 2.014 179.707 177.584 0.181 0.000 1.188 403 A CA 2.009 54.103 52.037 0.096 0.000 0.631 403 A CB -1.117 17.916 19.000 0.055 0.000 0.822 403 A HN 0.567 nan 8.150 nan 0.000 0.447 404 Y N 1.429 121.734 120.300 0.007 0.000 2.145 404 Y HA -0.215 4.335 4.550 0.000 0.000 0.286 404 Y C 2.125 178.042 175.900 0.028 0.000 1.145 404 Y CA 1.717 59.829 58.100 0.020 0.000 1.148 404 Y CB -1.072 37.388 38.460 -0.001 0.000 0.981 404 Y HN 0.496 nan 8.280 nan 0.000 0.507 405 N N -0.268 118.365 118.700 -0.111 0.000 2.137 405 N HA -0.217 4.523 4.740 0.000 0.000 0.190 405 N C 1.961 177.378 175.510 -0.155 0.000 1.017 405 N CA 0.814 53.725 53.050 -0.232 0.000 0.859 405 N CB -0.258 38.150 38.487 -0.132 0.000 1.002 405 N HN 0.270 nan 8.380 nan 0.000 0.428 406 R N 0.334 120.795 120.500 -0.064 0.000 2.276 406 R HA 0.034 4.374 4.340 0.000 0.000 0.203 406 R C -0.181 175.938 176.300 -0.301 0.000 1.017 406 R CA 0.693 56.713 56.100 -0.133 0.000 1.010 406 R CB 0.170 30.428 30.300 -0.070 0.000 0.900 406 R HN 0.341 nan 8.270 nan 0.000 0.469 407 H N -1.624 117.438 119.070 -0.014 0.000 2.941 407 H HA 0.294 4.850 4.556 0.000 0.000 0.344 407 H C -2.359 172.998 175.328 0.048 0.000 1.235 407 H CA -1.728 54.338 56.048 0.029 0.000 1.149 407 H CB 2.229 32.023 29.762 0.052 0.000 1.885 407 H HN -0.108 nan 8.280 nan 0.000 0.558 408 P HA 0.209 nan 4.420 nan 0.000 0.208 408 P C -0.880 176.581 177.300 0.268 0.000 1.863 408 P CA -0.265 62.949 63.100 0.189 0.000 1.037 408 P CB -0.374 31.416 31.700 0.150 0.000 1.881 409 L N 0.339 121.770 121.223 0.346 0.000 3.601 409 L HA -0.229 4.111 4.340 0.000 0.000 0.469 409 L C -0.274 176.769 176.870 0.288 0.000 1.294 409 L CA 0.740 55.753 54.840 0.288 0.000 0.829 409 L CB -2.639 39.559 42.059 0.231 0.000 1.628 409 L HN 0.327 nan 8.230 nan 0.000 0.868 410 F N -0.301 119.683 119.950 0.058 0.000 2.637 410 F HA 0.366 4.893 4.527 0.000 0.000 0.316 410 F C -1.106 174.638 175.800 -0.094 0.000 1.023 410 F CA -0.655 57.330 58.000 -0.024 0.000 1.071 410 F CB 0.868 39.857 39.000 -0.017 0.000 1.319 410 F HN 0.009 nan 8.300 nan 0.000 0.541 411 Q N 6.177 125.466 119.800 -0.851 0.000 2.245 411 Q HA 0.458 4.798 4.340 0.000 0.000 0.256 411 Q C -2.551 172.743 176.000 -1.177 0.000 0.942 411 Q CA -2.100 53.203 55.803 -0.835 0.000 0.896 411 Q CB 1.592 30.085 28.738 -0.408 0.000 1.272 411 Q HN 0.365 nan 8.270 nan 0.000 0.442 412 P HA -0.058 nan 4.420 nan 0.000 0.261 412 P C 0.842 177.897 177.300 -0.409 0.000 1.173 412 P CA 0.322 63.115 63.100 -0.511 0.000 0.760 412 P CB 0.499 32.045 31.700 -0.257 0.000 0.783 413 L N 2.672 123.724 121.223 -0.286 0.000 2.137 413 L HA -0.206 4.134 4.340 0.000 0.000 0.213 413 L C 0.919 177.482 176.870 -0.512 0.000 1.085 413 L CA 1.566 56.218 54.840 -0.312 0.000 0.760 413 L CB -0.293 41.656 42.059 -0.184 0.000 0.893 413 L HN 0.570 nan 8.230 nan 0.000 0.434 414 H N -1.590 117.453 119.070 -0.045 0.000 2.616 414 H HA 0.195 4.751 4.556 0.000 0.000 0.229 414 H C -0.304 175.006 175.328 -0.030 0.000 1.418 414 H CA -0.138 55.895 56.048 -0.024 0.000 1.248 414 H CB 0.643 30.403 29.762 -0.003 0.000 1.822 414 H HN -0.030 nan 8.280 nan 0.000 0.522 415 T N -0.531 114.030 114.554 0.012 0.000 2.918 415 T HA 0.148 4.498 4.350 0.000 0.000 0.283 415 T C 1.521 176.230 174.700 0.015 0.000 1.001 415 T CA -0.251 61.848 62.100 -0.001 0.000 1.041 415 T CB 1.758 70.586 68.868 -0.067 0.000 1.028 415 T HN 0.174 nan 8.240 nan 0.000 0.511 416 V N 4.884 124.810 119.914 0.020 0.000 2.490 416 V HA -0.059 4.061 4.120 0.000 0.000 0.250 416 V C 2.203 178.303 176.094 0.009 0.000 1.061 416 V CA 2.489 64.802 62.300 0.022 0.000 1.064 416 V CB -0.687 31.149 31.823 0.023 0.000 0.670 416 V HN 0.992 nan 8.190 nan 0.000 0.461 417 M N -0.515 119.083 119.600 -0.003 0.000 2.319 417 M HA -0.089 4.391 4.480 0.000 0.000 0.265 417 M C 2.200 178.483 176.300 -0.029 0.000 1.068 417 M CA 1.836 57.128 55.300 -0.014 0.000 1.118 417 M CB -0.189 32.407 32.600 -0.007 0.000 1.395 417 M HN 0.336 nan 8.290 nan 0.000 0.435 418 R N 0.593 121.076 120.500 -0.030 0.000 2.083 418 R HA -0.252 4.088 4.340 0.000 0.000 0.237 418 R C 1.925 178.199 176.300 -0.043 0.000 1.137 418 R CA 2.283 58.377 56.100 -0.011 0.000 0.951 418 R CB -0.379 29.916 30.300 -0.008 0.000 0.851 418 R HN 0.420 nan 8.270 nan 0.000 0.434 419 E N -0.578 119.618 120.200 -0.006 0.000 2.160 419 E HA -0.151 4.199 4.350 0.000 0.000 0.195 419 E C 1.485 178.084 176.600 -0.002 0.000 0.991 419 E CA 2.214 58.635 56.400 0.036 0.000 0.810 419 E CB -0.253 29.486 29.700 0.065 0.000 0.742 419 E HN 0.432 nan 8.360 nan 0.000 0.466 420 T N 0.538 115.060 114.554 -0.054 0.000 2.643 420 T HA -0.130 4.221 4.350 0.000 0.000 0.264 420 T C 1.674 176.281 174.700 -0.155 0.000 1.045 420 T CA 1.440 63.486 62.100 -0.089 0.000 1.155 420 T CB -0.373 68.461 68.868 -0.056 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.574 121.687 121.223 -0.184 0.000 2.187 421 L HA -0.029 4.311 4.340 0.000 0.000 0.213 421 L C 2.065 178.587 176.870 -0.581 0.000 1.100 421 L CA 1.333 56.040 54.840 -0.222 0.000 0.765 421 L CB -0.960 41.066 42.059 -0.055 0.000 0.904 421 L HN 0.225 nan 8.230 nan 0.000 0.437 422 F N 0.184 119.457 119.950 -1.129 0.000 2.146 422 F HA -0.156 4.372 4.527 0.000 0.000 0.298 422 F C 2.256 177.836 175.800 -0.366 0.000 1.096 422 F CA 1.314 58.604 58.000 -1.184 0.000 1.275 422 F CB -0.303 38.239 39.000 -0.763 0.000 1.008 422 F HN -0.024 nan 8.300 nan 0.000 0.480 423 I N 0.315 120.651 120.570 -0.390 0.000 2.226 423 I HA -0.208 3.962 4.170 0.000 0.000 0.245 423 I C 2.725 178.718 176.117 -0.207 0.000 1.100 423 I CA 1.418 62.540 61.300 -0.296 0.000 1.374 423 I CB -1.375 36.351 38.000 -0.456 0.000 1.057 423 I HN 0.316 nan 8.210 nan 0.000 0.413 424 G N 0.627 109.313 108.800 -0.190 0.000 2.408 424 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 424 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 424 G C 1.814 176.648 174.900 -0.111 0.000 1.150 424 G CA 0.939 45.986 45.100 -0.088 0.000 0.776 424 G HN 0.496 nan 8.290 nan 0.000 0.542 425 S N 0.479 116.096 115.700 -0.138 0.000 2.387 425 S HA -0.272 4.198 4.470 0.000 0.000 0.230 425 S C 2.087 176.536 174.600 -0.252 0.000 1.035 425 S CA 1.755 59.860 58.200 -0.158 0.000 1.014 425 S CB -0.831 62.399 63.200 0.050 0.000 0.836 425 S HN 0.519 nan 8.310 nan 0.000 0.466 426 H N 0.471 119.438 119.070 -0.173 0.000 2.290 426 H HA -0.018 4.538 4.556 0.000 0.000 0.298 426 H C 2.500 177.690 175.328 -0.229 0.000 1.087 426 H CA 1.681 57.620 56.048 -0.183 0.000 1.291 426 H CB -0.996 28.669 29.762 -0.162 0.000 1.369 426 H HN 0.404 nan 8.280 nan 0.000 0.492 427 V N 1.195 121.053 119.914 -0.093 0.000 2.913 427 V HA -0.131 3.989 4.120 0.000 0.000 0.260 427 V C 2.210 178.158 176.094 -0.244 0.000 1.098 427 V CA 0.841 63.016 62.300 -0.210 0.000 1.121 427 V CB -0.431 31.347 31.823 -0.074 0.000 0.714 427 V HN 0.131 nan 8.190 nan 0.000 0.487 428 V N -0.734 119.025 119.914 -0.258 0.000 2.426 428 V HA -0.071 4.049 4.120 0.000 0.000 0.242 428 V C 2.233 178.177 176.094 -0.248 0.000 1.036 428 V CA 1.546 63.652 62.300 -0.324 0.000 1.044 428 V CB -0.323 31.096 31.823 -0.674 0.000 0.688 428 V HN 0.518 nan 8.190 nan 0.000 0.462 429 L N 0.362 121.456 121.223 -0.216 0.000 1.989 429 L HA -0.166 4.174 4.340 0.000 0.000 0.211 429 L C 2.614 179.401 176.870 -0.139 0.000 1.071 429 L CA 2.061 56.816 54.840 -0.142 0.000 0.749 429 L CB -0.648 41.352 42.059 -0.098 0.000 0.890 429 L HN 0.148 nan 8.230 nan 0.000 0.431 430 R N -0.822 119.555 120.500 -0.205 0.000 2.119 430 R HA -0.270 4.070 4.340 0.000 0.000 0.246 430 R C 2.270 178.473 176.300 -0.163 0.000 1.146 430 R CA 1.914 57.860 56.100 -0.257 0.000 0.962 430 R CB -0.246 29.717 30.300 -0.563 0.000 0.863 430 R HN 0.442 nan 8.270 nan 0.000 0.442 431 E N 0.528 120.636 120.200 -0.153 0.000 2.031 431 E HA -0.176 4.174 4.350 0.000 0.000 0.193 431 E C 1.938 178.556 176.600 0.030 0.000 0.994 431 E CA 1.378 57.781 56.400 0.006 0.000 0.800 431 E CB -0.310 29.385 29.700 -0.009 0.000 0.752 431 E HN 0.285 nan 8.360 nan 0.000 0.447 432 L N 0.339 121.565 121.223 0.006 0.000 2.013 432 L HA -0.221 4.119 4.340 0.000 0.000 0.212 432 L C 2.585 179.536 176.870 0.135 0.000 1.073 432 L CA 1.546 56.456 54.840 0.116 0.000 0.753 432 L CB -0.461 41.616 42.059 0.030 0.000 0.890 432 L HN 0.083 nan 8.230 nan 0.000 0.432 433 R N -0.235 120.278 120.500 0.021 0.000 2.200 433 R HA -0.072 4.268 4.340 0.000 0.000 0.234 433 R C 0.726 177.053 176.300 0.044 0.000 1.127 433 R CA 0.639 56.728 56.100 -0.019 0.000 0.989 433 R CB -0.909 29.364 30.300 -0.045 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.459 434 L N 1.719 123.021 121.223 0.131 0.000 2.475 434 L HA -0.020 4.321 4.340 0.000 0.000 0.250 434 L C 1.525 178.530 176.870 0.225 0.000 1.224 434 L CA 0.647 55.584 54.840 0.163 0.000 0.821 434 L CB 0.194 42.349 42.059 0.160 0.000 1.141 434 L HN 0.228 nan 8.230 nan 0.000 0.494 435 N N -1.178 117.630 118.700 0.181 0.000 2.177 435 N HA 0.036 4.776 4.740 0.000 0.000 0.218 435 N C -0.745 174.891 175.510 0.209 0.000 1.182 435 N CA -0.007 53.142 53.050 0.165 0.000 0.882 435 N CB 0.433 38.984 38.487 0.106 0.000 1.052 435 N HN 0.218 nan 8.380 nan 0.000 0.519 436 V N 2.442 122.476 119.914 0.201 0.000 2.320 436 V HA 0.172 4.292 4.120 0.000 0.000 0.265 436 V C 0.568 176.716 176.094 0.090 0.000 1.048 436 V CA -0.625 61.740 62.300 0.109 0.000 0.865 436 V CB 0.211 32.045 31.823 0.019 0.000 1.043 436 V HN 0.253 nan 8.190 nan 0.000 0.474 437 T N 1.490 116.117 114.554 0.121 0.000 3.826 437 T HA 0.121 4.471 4.350 0.000 0.000 0.239 437 T C 0.399 175.056 174.700 -0.072 0.000 1.007 437 T CA -0.226 61.885 62.100 0.017 0.000 1.171 437 T CB -1.017 67.927 68.868 0.125 0.000 1.153 437 T HN 0.620 nan 8.240 nan 0.000 0.854 438 T N 3.669 118.131 114.554 -0.153 0.000 2.779 438 T HA 0.366 4.716 4.350 0.000 0.000 0.280 438 T C 0.362 174.986 174.700 -0.127 0.000 0.987 438 T CA -0.896 61.122 62.100 -0.138 0.000 0.966 438 T CB 1.298 70.049 68.868 -0.195 0.000 0.933 438 T HN 0.630 nan 8.240 nan 0.000 0.442 439 Q N 0.592 120.351 119.800 -0.068 0.000 2.494 439 Q HA -0.222 4.118 4.340 0.000 0.000 0.266 439 Q C 1.569 177.542 176.000 -0.046 0.000 1.053 439 Q CA 0.590 56.371 55.803 -0.036 0.000 1.029 439 Q CB -1.969 26.750 28.738 -0.030 0.000 1.423 439 Q HN 1.024 nan 8.270 nan 0.000 0.516 440 G N 1.213 109.975 108.800 -0.064 0.000 2.476 440 G HA2 -0.200 3.760 3.960 0.000 0.000 0.218 440 G HA3 -0.200 3.760 3.960 0.000 0.000 0.218 440 G C -0.948 173.959 174.900 0.011 0.000 1.164 440 G CA 1.386 46.455 45.100 -0.053 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 1.542 178.877 177.300 0.058 0.000 1.153 441 P CA 1.367 64.498 63.100 0.050 0.000 0.848 441 P CB -0.064 31.667 31.700 0.052 0.000 0.787 442 N N -0.844 117.887 118.700 0.051 0.000 2.309 442 N HA -0.122 4.618 4.740 0.000 0.000 0.182 442 N C 1.550 177.111 175.510 0.084 0.000 1.018 442 N CA 0.687 53.778 53.050 0.067 0.000 0.876 442 N CB -0.714 37.807 38.487 0.057 0.000 0.972 442 N HN 0.033 nan 8.380 nan 0.000 0.434 443 L N -0.518 120.738 121.223 0.055 0.000 2.127 443 L HA 0.206 4.546 4.340 0.000 0.000 0.203 443 L C 2.105 179.035 176.870 0.100 0.000 1.080 443 L CA 1.131 56.007 54.840 0.061 0.000 0.768 443 L CB -0.550 41.496 42.059 -0.022 0.000 0.924 443 L HN 0.128 nan 8.230 nan 0.000 0.444 444 A N 0.204 123.071 122.820 0.078 0.000 1.948 444 A HA -0.273 4.047 4.320 0.000 0.000 0.220 444 A C 2.193 179.826 177.584 0.082 0.000 1.177 444 A CA 2.103 54.191 52.037 0.085 0.000 0.636 444 A CB -1.019 18.026 19.000 0.075 0.000 0.815 444 A HN 0.540 nan 8.150 nan 0.000 0.449 445 L N -1.534 119.740 121.223 0.085 0.000 1.989 445 L HA -0.188 4.152 4.340 0.000 0.000 0.211 445 L C 2.258 179.180 176.870 0.086 0.000 1.071 445 L CA 2.575 57.457 54.840 0.069 0.000 0.749 445 L CB -1.128 40.990 42.059 0.097 0.000 0.890 445 L HN 0.503 nan 8.230 nan 0.000 0.431 446 Y N 0.224 120.535 120.300 0.018 0.000 2.102 446 Y HA -0.380 4.170 4.550 0.000 0.000 0.280 446 Y C 2.642 178.537 175.900 -0.007 0.000 1.178 446 Y CA 2.409 60.517 58.100 0.014 0.000 1.146 446 Y CB -0.117 38.353 38.460 0.017 0.000 0.968 446 Y HN 0.434 nan 8.280 nan 0.000 0.504 447 Q N -0.637 119.311 119.800 0.246 0.000 2.050 447 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 447 Q C 2.219 178.231 176.000 0.020 0.000 0.980 447 Q CA 1.655 57.541 55.803 0.139 0.000 0.840 447 Q CB -0.499 28.304 28.738 0.107 0.000 0.898 447 Q HN 0.498 nan 8.270 nan 0.000 0.424 448 L N 1.142 122.356 121.223 -0.015 0.000 1.971 448 L HA -0.222 4.118 4.340 0.000 0.000 0.215 448 L C 2.098 178.890 176.870 -0.130 0.000 1.072 448 L CA 1.724 56.508 54.840 -0.092 0.000 0.758 448 L CB -0.685 41.265 42.059 -0.181 0.000 0.889 448 L HN 0.191 nan 8.230 nan 0.000 0.433 449 L N -0.700 120.435 121.223 -0.146 0.000 1.971 449 L HA -0.275 4.065 4.340 0.000 0.000 0.215 449 L C 2.669 179.322 176.870 -0.362 0.000 1.072 449 L CA 1.911 56.570 54.840 -0.302 0.000 0.758 449 L CB -1.241 40.657 42.059 -0.268 0.000 0.889 449 L HN 0.518 nan 8.230 nan 0.000 0.433 450 S N -1.285 114.267 115.700 -0.246 0.000 2.387 450 S HA -0.218 4.253 4.470 0.000 0.000 0.230 450 S C 1.903 176.409 174.600 -0.157 0.000 1.035 450 S CA 1.873 59.967 58.200 -0.175 0.000 1.014 450 S CB -1.062 62.118 63.200 -0.033 0.000 0.836 450 S HN 0.409 nan 8.310 nan 0.000 0.466 451 T N 2.894 117.369 114.554 -0.133 0.000 2.684 451 T HA -0.008 4.342 4.350 0.000 0.000 0.267 451 T C 2.262 176.894 174.700 -0.113 0.000 1.036 451 T CA 1.543 63.571 62.100 -0.120 0.000 1.148 451 T CB -0.906 67.901 68.868 -0.101 0.000 0.863 451 T HN 0.641 nan 8.240 nan 0.000 0.436 452 A N 1.100 123.837 122.820 -0.138 0.000 1.908 452 A HA 0.000 4.320 4.320 0.000 0.000 0.218 452 A C 2.278 179.796 177.584 -0.111 0.000 1.181 452 A CA 1.262 53.237 52.037 -0.103 0.000 0.627 452 A CB -0.926 17.994 19.000 -0.133 0.000 0.818 452 A HN 0.480 nan 8.150 nan 0.000 0.445 453 L N -1.063 120.037 121.223 -0.206 0.000 2.265 453 L HA -0.155 4.185 4.340 0.000 0.000 0.215 453 L C 1.824 178.658 176.870 -0.060 0.000 1.117 453 L CA 0.533 55.297 54.840 -0.128 0.000 0.782 453 L CB -0.346 41.606 42.059 -0.178 0.000 0.914 453 L HN 0.545 nan 8.230 nan 0.000 0.441 454 c N 1.093 119.644 118.600 -0.081 0.000 2.694 454 c HA 0.182 4.752 4.570 0.000 0.000 0.455 454 c C 1.654 175.723 174.090 -0.036 0.000 1.293 454 c CA -0.896 55.394 56.329 -0.064 0.000 1.614 454 c CB -2.318 40.144 42.510 -0.080 0.000 2.015 454 c HN 0.460 nan 8.230 nan 0.000 0.608 455 S N 0.906 116.599 115.700 -0.010 0.000 2.608 455 S HA 0.477 4.947 4.470 0.000 0.000 0.261 455 S C 1.422 175.993 174.600 -0.048 0.000 1.314 455 S CA 0.171 58.368 58.200 -0.006 0.000 0.992 455 S CB 1.110 64.333 63.200 0.037 0.000 0.935 455 S HN 0.796 nan 8.310 nan 0.000 0.564 456 A N 0.532 123.313 122.820 -0.066 0.000 2.024 456 A HA -0.033 4.287 4.320 0.000 0.000 0.220 456 A C 2.029 179.520 177.584 -0.155 0.000 1.164 456 A CA 1.469 53.444 52.037 -0.104 0.000 0.643 456 A CB -0.963 17.972 19.000 -0.108 0.000 0.806 456 A HN 0.834 nan 8.150 nan 0.000 0.451 457 L N -0.279 120.838 121.223 -0.177 0.000 2.027 457 L HA -0.093 4.247 4.340 0.000 0.000 0.206 457 L C 2.344 178.971 176.870 -0.405 0.000 1.074 457 L CA 2.547 57.183 54.840 -0.340 0.000 0.745 457 L CB -0.554 41.277 42.059 -0.380 0.000 0.898 457 L HN 0.559 nan 8.230 nan 0.000 0.433 458 E N 0.205 120.317 120.200 -0.147 0.000 2.001 458 E HA -0.282 4.068 4.350 0.000 0.000 0.195 458 E C 2.248 178.786 176.600 -0.104 0.000 1.002 458 E CA 2.227 58.665 56.400 0.065 0.000 0.819 458 E CB -0.781 28.982 29.700 0.105 0.000 0.769 458 E HN 0.466 nan 8.360 nan 0.000 0.454 459 I N 0.017 120.495 120.570 -0.153 0.000 2.300 459 I HA -0.232 3.938 4.170 0.000 0.000 0.252 459 I C 1.964 177.900 176.117 -0.302 0.000 1.119 459 I CA 1.881 63.018 61.300 -0.271 0.000 1.384 459 I CB -0.473 37.425 38.000 -0.169 0.000 1.062 459 I HN 0.339 nan 8.210 nan 0.000 0.426 460 G N -0.070 108.592 108.800 -0.230 0.000 2.404 460 G HA2 -0.200 3.761 3.960 0.000 0.000 0.214 460 G HA3 -0.200 3.761 3.960 0.000 0.000 0.214 460 G C 1.472 176.247 174.900 -0.209 0.000 1.189 460 G CA 0.330 45.301 45.100 -0.216 0.000 0.789 460 G HN 0.316 nan 8.290 nan 0.000 0.533 461 E N 0.460 120.532 120.200 -0.213 0.000 2.110 461 E HA -0.077 4.273 4.350 0.000 0.000 0.193 461 E C 2.871 179.404 176.600 -0.111 0.000 0.988 461 E CA 0.535 56.854 56.400 -0.135 0.000 0.804 461 E CB -0.569 29.092 29.700 -0.065 0.000 0.745 461 E HN 0.259 nan 8.360 nan 0.000 0.458 462 V N 1.185 120.998 119.914 -0.168 0.000 2.287 462 V HA -0.271 3.849 4.120 0.000 0.000 0.248 462 V C 2.425 178.379 176.094 -0.233 0.000 1.053 462 V CA 1.379 63.544 62.300 -0.226 0.000 1.027 462 V CB -0.455 31.120 31.823 -0.415 0.000 0.646 462 V HN 0.159 nan 8.190 nan 0.000 0.447 463 L N -0.295 120.754 121.223 -0.289 0.000 2.017 463 L HA -0.149 4.191 4.340 0.000 0.000 0.208 463 L C 2.554 179.357 176.870 -0.112 0.000 1.073 463 L CA 2.093 56.810 54.840 -0.206 0.000 0.745 463 L CB -1.058 40.878 42.059 -0.205 0.000 0.894 463 L HN 0.310 nan 8.230 nan 0.000 0.432 464 R N -0.033 120.404 120.500 -0.104 0.000 2.115 464 R HA -0.185 4.155 4.340 0.000 0.000 0.239 464 R C 2.211 178.491 176.300 -0.032 0.000 1.133 464 R CA 2.030 58.093 56.100 -0.062 0.000 0.935 464 R CB -1.319 28.945 30.300 -0.062 0.000 0.853 464 R HN 0.367 nan 8.270 nan 0.000 0.433 465 G N 0.321 109.104 108.800 -0.028 0.000 2.440 465 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 465 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 465 G C 1.532 176.442 174.900 0.016 0.000 1.154 465 G CA 1.010 46.117 45.100 0.010 0.000 0.767 465 G HN 0.319 nan 8.290 nan 0.000 0.552 466 L N 0.605 121.825 121.223 -0.006 0.000 2.012 466 L HA -0.128 4.212 4.340 0.000 0.000 0.210 466 L C 3.444 180.322 176.870 0.014 0.000 1.073 466 L CA 1.236 56.084 54.840 0.013 0.000 0.748 466 L CB -0.435 41.631 42.059 0.011 0.000 0.891 466 L HN 0.326 nan 8.230 nan 0.000 0.431 467 A N -0.166 122.653 122.820 -0.001 0.000 1.877 467 A HA -0.148 4.172 4.320 0.000 0.000 0.216 467 A C 2.126 179.714 177.584 0.008 0.000 1.186 467 A CA 1.372 53.409 52.037 0.001 0.000 0.620 467 A CB -0.696 18.298 19.000 -0.011 0.000 0.822 467 A HN 0.391 nan 8.150 nan 0.000 0.443 468 L N -0.870 120.359 121.223 0.010 0.000 2.610 468 L HA 0.113 4.453 4.340 0.000 0.000 0.232 468 L C 1.670 178.555 176.870 0.026 0.000 1.149 468 L CA 0.493 55.343 54.840 0.017 0.000 0.872 468 L CB -0.385 41.684 42.059 0.018 0.000 0.992 468 L HN 0.625 nan 8.230 nan 0.000 0.447 469 G N 0.215 109.034 108.800 0.031 0.000 2.179 469 G HA2 -0.373 3.587 3.960 0.000 0.000 0.257 469 G HA3 -0.373 3.587 3.960 0.000 0.000 0.257 469 G C 0.951 175.883 174.900 0.053 0.000 1.010 469 G CA 0.771 45.894 45.100 0.039 0.000 0.736 469 G HN 0.428 nan 8.290 nan 0.000 0.513 470 T N -3.031 111.567 114.554 0.074 0.000 3.009 470 T HA 0.316 4.666 4.350 0.000 0.000 0.258 470 T C 0.839 175.658 174.700 0.199 0.000 1.063 470 T CA 1.376 63.545 62.100 0.114 0.000 1.139 470 T CB 0.412 69.370 68.868 0.150 0.000 0.890 470 T HN 0.436 nan 8.240 nan 0.000 0.471 471 E N 1.613 121.909 120.200 0.160 0.000 2.166 471 E HA 0.473 4.823 4.350 0.000 0.000 0.275 471 E C 1.087 177.741 176.600 0.090 0.000 0.941 471 E CA -0.212 56.273 56.400 0.140 0.000 0.784 471 E CB 1.852 31.567 29.700 0.025 0.000 1.115 471 E HN 0.231 nan 8.360 nan 0.000 0.399 472 S N 3.081 118.834 115.700 0.088 0.000 2.406 472 S HA 0.119 4.589 4.470 0.000 0.000 0.228 472 S C 1.500 176.140 174.600 0.067 0.000 1.020 472 S CA 0.413 58.648 58.200 0.058 0.000 0.965 472 S CB -0.364 62.857 63.200 0.034 0.000 0.798 472 S HN 1.193 nan 8.310 nan 0.000 0.488 473 G N 0.810 109.659 108.800 0.080 0.000 2.132 473 G HA2 -0.209 3.751 3.960 0.000 0.000 0.228 473 G HA3 -0.209 3.751 3.960 0.000 0.000 0.228 473 G C 0.357 175.369 174.900 0.187 0.000 1.000 473 G CA 0.304 45.496 45.100 0.153 0.000 0.693 473 G HN 0.601 nan 8.290 nan 0.000 0.515 474 L N -0.602 120.669 121.223 0.081 0.000 2.056 474 L HA 0.570 4.910 4.340 0.000 0.000 0.207 474 L C 0.942 177.925 176.870 0.189 0.000 1.078 474 L CA 2.129 56.980 54.840 0.017 0.000 0.749 474 L CB -0.170 41.758 42.059 -0.219 0.000 0.901 474 L HN 0.582 nan 8.230 nan 0.000 0.433 475 F N -1.009 118.939 119.950 -0.002 0.000 2.599 475 F HA 0.598 5.126 4.527 0.000 0.000 0.311 475 F C -0.655 175.078 175.800 -0.112 0.000 1.076 475 F CA -0.292 57.770 58.000 0.104 0.000 0.937 475 F CB 1.587 40.592 39.000 0.008 0.000 1.282 475 F HN -0.193 nan 8.300 nan 0.000 0.460 476 S N 4.631 119.296 115.700 -1.725 0.000 2.560 476 S HA 0.366 4.836 4.470 0.000 0.000 0.283 476 S C -2.563 171.182 174.600 -1.425 0.000 1.141 476 S CA -0.986 56.340 58.200 -1.457 0.000 0.902 476 S CB 1.879 64.475 63.200 -1.007 0.000 1.104 476 S HN 0.484 nan 8.310 nan 0.000 0.454 477 P HA 0.015 nan 4.420 nan 0.000 0.226 477 P C 1.275 178.409 177.300 -0.277 0.000 1.146 477 P CA 0.788 63.653 63.100 -0.391 0.000 0.773 477 P CB -0.414 31.162 31.700 -0.205 0.000 0.772 478 c N -1.740 116.645 118.600 -0.357 0.000 2.457 478 c HA -0.081 4.489 4.570 0.000 0.000 0.278 478 c C 2.494 176.522 174.090 -0.103 0.000 1.309 478 c CA 0.297 56.507 56.329 -0.199 0.000 1.735 478 c CB -2.146 40.304 42.510 -0.100 0.000 1.992 478 c HN 0.180 nan 8.230 nan 0.000 0.493 479 Y N 0.960 121.157 120.300 -0.173 0.000 2.446 479 Y HA -0.070 4.480 4.550 0.000 0.000 0.287 479 Y C 1.782 177.638 175.900 -0.073 0.000 1.159 479 Y CA 1.039 59.054 58.100 -0.141 0.000 1.297 479 Y CB -0.738 37.645 38.460 -0.128 0.000 0.974 479 Y HN 0.304 nan 8.280 nan 0.000 0.557 480 L N -1.862 119.417 121.223 0.093 0.000 3.086 480 L HA 0.190 4.530 4.340 0.000 0.000 0.274 480 L C 0.984 177.878 176.870 0.039 0.000 1.184 480 L CA -0.025 54.865 54.840 0.084 0.000 1.002 480 L CB -0.098 42.045 42.059 0.141 0.000 1.383 480 L HN -0.089 nan 8.230 nan 0.000 0.582 481 S N 0.142 115.824 115.700 -0.032 0.000 2.589 481 S HA 0.288 4.758 4.470 0.000 0.000 0.265 481 S C 0.571 175.029 174.600 -0.236 0.000 1.342 481 S CA -0.296 57.840 58.200 -0.107 0.000 1.005 481 S CB 0.522 63.637 63.200 -0.141 0.000 0.909 481 S HN 0.222 nan 8.310 nan 0.000 0.555 482 L N 1.023 122.068 121.223 -0.296 0.000 2.978 482 L HA 0.336 4.676 4.340 0.000 0.000 0.239 482 L C 1.072 177.379 176.870 -0.938 0.000 1.293 482 L CA -0.150 54.342 54.840 -0.580 0.000 1.085 482 L CB -0.293 41.703 42.059 -0.105 0.000 1.432 482 L HN 0.569 nan 8.230 nan 0.000 0.512 483 R N 1.006 121.038 120.500 -0.779 0.000 2.369 483 R HA 0.204 4.544 4.340 0.000 0.000 0.310 483 R C -0.494 175.521 176.300 -0.474 0.000 1.141 483 R CA -0.433 55.377 56.100 -0.484 0.000 1.116 483 R CB 0.200 30.371 30.300 -0.215 0.000 1.135 483 R HN 0.104 nan 8.270 nan 0.000 0.529 484 F N 1.137 121.116 119.950 0.050 0.000 2.713 484 F HA 0.133 4.660 4.527 0.000 0.000 0.294 484 F C 1.421 177.246 175.800 0.042 0.000 1.152 484 F CA -0.477 57.550 58.000 0.044 0.000 1.385 484 F CB 0.183 39.213 39.000 0.050 0.000 0.981 484 F HN 0.412 nan 8.300 nan 0.000 0.514 485 D N 0.860 121.329 120.400 0.116 0.000 2.240 485 D HA -0.031 4.609 4.640 0.000 0.000 0.206 485 D C 0.703 177.048 176.300 0.076 0.000 0.963 485 D CA 0.468 54.524 54.000 0.093 0.000 0.863 485 D CB 0.134 40.968 40.800 0.056 0.000 0.973 485 D HN 0.115 nan 8.370 nan 0.000 0.501 486 L N 1.601 122.867 121.223 0.071 0.000 2.500 486 L HA 0.358 4.699 4.340 0.000 0.000 0.272 486 L C 0.593 177.514 176.870 0.086 0.000 1.149 486 L CA -0.231 54.656 54.840 0.079 0.000 0.897 486 L CB -0.361 41.764 42.059 0.110 0.000 1.178 486 L HN 0.023 nan 8.230 nan 0.000 0.473 487 T N -0.442 114.154 114.554 0.070 0.000 2.807 487 T HA 0.533 4.883 4.350 0.000 0.000 0.277 487 T C 1.042 175.776 174.700 0.057 0.000 1.006 487 T CA -0.668 61.469 62.100 0.061 0.000 1.006 487 T CB 1.353 70.251 68.868 0.049 0.000 1.274 487 T HN 0.481 nan 8.240 nan 0.000 0.569 488 R N 0.797 121.324 120.500 0.046 0.000 2.113 488 R HA -0.132 4.208 4.340 0.000 0.000 0.244 488 R C 1.717 178.036 176.300 0.031 0.000 1.142 488 R CA 2.446 58.570 56.100 0.040 0.000 0.953 488 R CB -1.305 29.012 30.300 0.029 0.000 0.860 488 R HN 0.774 nan 8.270 nan 0.000 0.438 489 D N -0.455 119.959 120.400 0.025 0.000 2.110 489 D HA -0.128 4.512 4.640 0.000 0.000 0.202 489 D C 1.684 177.991 176.300 0.012 0.000 0.975 489 D CA 1.141 55.150 54.000 0.015 0.000 0.839 489 D CB -0.239 40.569 40.800 0.012 0.000 0.996 489 D HN 0.083 nan 8.370 nan 0.000 0.464 490 K N 1.508 121.919 120.400 0.018 0.000 2.074 490 K HA -0.122 4.198 4.320 0.000 0.000 0.209 490 K C 2.208 178.814 176.600 0.009 0.000 1.048 490 K CA 0.889 57.184 56.287 0.013 0.000 0.926 490 K CB -0.694 31.822 32.500 0.026 0.000 0.713 490 K HN 0.080 nan 8.250 nan 0.000 0.444 491 L N 0.015 121.256 121.223 0.029 0.000 2.083 491 L HA -0.097 4.243 4.340 0.000 0.000 0.209 491 L C 2.361 179.227 176.870 -0.007 0.000 1.083 491 L CA 0.956 55.812 54.840 0.028 0.000 0.752 491 L CB -0.260 41.850 42.059 0.084 0.000 0.899 491 L HN 0.216 nan 8.230 nan 0.000 0.433 492 L N -1.179 120.043 121.223 -0.002 0.000 2.265 492 L HA -0.195 4.145 4.340 0.000 0.000 0.215 492 L C 2.430 179.281 176.870 -0.032 0.000 1.117 492 L CA 0.746 55.577 54.840 -0.016 0.000 0.782 492 L CB -0.045 42.010 42.059 -0.007 0.000 0.914 492 L HN 0.263 nan 8.230 nan 0.000 0.441 493 S N -0.687 114.993 115.700 -0.033 0.000 2.362 493 S HA -0.139 4.331 4.470 0.000 0.000 0.221 493 S C 1.741 176.302 174.600 -0.065 0.000 1.032 493 S CA 1.099 59.270 58.200 -0.048 0.000 0.973 493 S CB -0.116 63.057 63.200 -0.045 0.000 0.849 493 S HN 0.271 nan 8.310 nan 0.000 0.465 494 M N 1.752 121.311 119.600 -0.068 0.000 2.374 494 M HA 0.174 4.654 4.480 0.000 0.000 0.264 494 M C 0.907 177.144 176.300 -0.105 0.000 1.067 494 M CA 0.135 55.380 55.300 -0.093 0.000 1.103 494 M CB -0.740 31.799 32.600 -0.100 0.000 1.402 494 M HN 0.224 nan 8.290 nan 0.000 0.444 495 A N 2.108 124.874 122.820 -0.090 0.000 2.561 495 A HA 0.210 4.530 4.320 0.000 0.000 0.234 495 A C -2.031 175.503 177.584 -0.084 0.000 1.055 495 A CA -0.952 51.032 52.037 -0.089 0.000 0.756 495 A CB -1.002 17.959 19.000 -0.066 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 -1.013 176.251 177.300 -0.059 0.000 1.220 496 P CA 0.107 63.161 63.100 -0.076 0.000 0.768 496 P CB 0.662 32.317 31.700 -0.075 0.000 0.848 497 Q N 3.009 122.774 119.800 -0.057 0.000 2.503 497 Q HA 0.304 4.644 4.340 0.000 0.000 0.227 497 Q C -0.284 175.692 176.000 -0.040 0.000 1.109 497 Q CA 0.198 55.974 55.803 -0.047 0.000 0.922 497 Q CB 0.924 29.633 28.738 -0.049 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.022 120.202 120.200 -0.034 0.000 2.352 498 E HA 0.411 4.761 4.350 0.000 0.000 0.280 498 E C -0.364 176.223 176.600 -0.021 0.000 0.930 498 E CA -0.437 55.947 56.400 -0.028 0.000 0.765 498 E CB 1.565 31.247 29.700 -0.028 0.000 1.219 498 E HN 0.471 nan 8.360 nan 0.000 0.434 499 A N 1.189 123.998 122.820 -0.018 0.000 2.206 499 A HA -0.037 4.283 4.320 0.000 0.000 0.211 499 A C 1.492 179.069 177.584 -0.011 0.000 1.158 499 A CA 0.989 53.018 52.037 -0.013 0.000 0.761 499 A CB -0.315 18.678 19.000 -0.011 0.000 0.801 499 A HN 0.546 nan 8.150 nan 0.000 0.473 500 T N -0.221 114.325 114.554 -0.012 0.000 3.118 500 T HA 0.243 4.593 4.350 0.000 0.000 0.260 500 T C -0.029 174.666 174.700 -0.009 0.000 1.139 500 T CA 0.484 62.578 62.100 -0.009 0.000 1.085 500 T CB -0.291 68.572 68.868 -0.010 0.000 0.934 500 T HN 0.157 nan 8.240 nan 0.000 0.518 501 L N 1.635 122.851 121.223 -0.012 0.000 2.333 501 L HA 0.421 4.761 4.340 0.000 0.000 0.280 501 L C -0.251 176.613 176.870 -0.010 0.000 1.004 501 L CA -0.974 53.858 54.840 -0.012 0.000 0.820 501 L CB 1.437 43.485 42.059 -0.018 0.000 1.247 501 L HN -0.119 nan 8.230 nan 0.000 0.416 502 D N 2.112 122.508 120.400 -0.007 0.000 2.402 502 D HA -0.032 4.608 4.640 0.000 0.000 0.268 502 D C 1.109 177.405 176.300 -0.007 0.000 1.294 502 D CA 0.335 54.332 54.000 -0.005 0.000 0.945 502 D CB 0.873 41.673 40.800 -0.001 0.000 1.112 502 D HN 0.390 nan 8.370 nan 0.000 0.517 503 Q N 3.089 122.884 119.800 -0.008 0.000 2.217 503 Q HA -0.264 4.076 4.340 0.000 0.000 0.209 503 Q C 1.724 177.721 176.000 -0.006 0.000 0.988 503 Q CA 1.638 57.436 55.803 -0.009 0.000 0.878 503 Q CB -0.262 28.470 28.738 -0.009 0.000 0.909 503 Q HN 0.695 nan 8.270 nan 0.000 0.424 504 A N 0.705 123.523 122.820 -0.003 0.000 1.872 504 A HA 0.016 4.336 4.320 0.000 0.000 0.214 504 A C 2.357 179.941 177.584 0.001 0.000 1.187 504 A CA 1.601 53.638 52.037 -0.000 0.000 0.614 504 A CB -0.681 18.319 19.000 0.001 0.000 0.826 504 A HN 0.367 nan 8.150 nan 0.000 0.442 505 A N -0.296 122.524 122.820 0.001 0.000 1.908 505 A HA -0.055 4.266 4.320 0.000 0.000 0.218 505 A C 2.215 179.800 177.584 0.002 0.000 1.181 505 A CA 1.945 53.984 52.037 0.003 0.000 0.627 505 A CB -1.055 17.947 19.000 0.003 0.000 0.818 505 A HN 0.430 nan 8.150 nan 0.000 0.445 506 V N -0.425 119.486 119.914 -0.004 0.000 2.287 506 V HA -0.258 3.862 4.120 0.000 0.000 0.248 506 V C 2.772 178.864 176.094 -0.003 0.000 1.053 506 V CA 2.367 64.661 62.300 -0.010 0.000 1.027 506 V CB -1.060 30.752 31.823 -0.018 0.000 0.646 506 V HN 0.665 nan 8.190 nan 0.000 0.447 507 S N 0.375 116.075 115.700 0.001 0.000 2.365 507 S HA -0.260 4.210 4.470 0.000 0.000 0.225 507 S C 1.948 176.557 174.600 0.016 0.000 1.039 507 S CA 2.038 60.243 58.200 0.007 0.000 1.033 507 S CB -0.525 62.678 63.200 0.005 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.744 120.454 118.700 0.015 0.000 2.104 508 N HA -0.070 4.670 4.740 0.000 0.000 0.190 508 N C 1.966 177.497 175.510 0.035 0.000 1.024 508 N CA 1.364 54.427 53.050 0.022 0.000 0.853 508 N CB -0.894 37.603 38.487 0.018 0.000 1.008 508 N HN 0.525 nan 8.380 nan 0.000 0.424 509 A N 1.259 124.097 122.820 0.030 0.000 1.865 509 A HA -0.109 4.211 4.320 0.000 0.000 0.217 509 A C 2.584 180.211 177.584 0.072 0.000 1.191 509 A CA 1.709 53.770 52.037 0.040 0.000 0.623 509 A CB -0.936 18.067 19.000 0.006 0.000 0.826 509 A HN 0.108 nan 8.150 nan 0.000 0.444 510 V N 0.722 120.665 119.914 0.048 0.000 2.287 510 V HA -0.292 3.829 4.120 0.000 0.000 0.248 510 V C 2.212 178.375 176.094 0.115 0.000 1.053 510 V CA 2.324 64.669 62.300 0.076 0.000 1.027 510 V CB -0.912 30.933 31.823 0.038 0.000 0.646 510 V HN 0.524 nan 8.190 nan 0.000 0.447 511 D N 0.570 121.015 120.400 0.075 0.000 2.097 511 D HA -0.122 4.519 4.640 0.000 0.000 0.195 511 D C 2.223 178.567 176.300 0.072 0.000 0.989 511 D CA 1.808 55.844 54.000 0.062 0.000 0.827 511 D CB -0.406 40.416 40.800 0.036 0.000 0.966 511 D HN 0.492 nan 8.370 nan 0.000 0.456 512 G N 0.572 109.421 108.800 0.083 0.000 2.459 512 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 512 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 512 G C 1.502 176.477 174.900 0.124 0.000 1.183 512 G CA 0.417 45.567 45.100 0.083 0.000 0.776 512 G HN 0.189 nan 8.290 nan 0.000 0.552 513 F N 0.977 120.943 119.950 0.026 0.000 2.069 513 F HA -0.083 4.444 4.527 0.000 0.000 0.298 513 F C 2.419 178.252 175.800 0.055 0.000 1.113 513 F CA 1.538 59.571 58.000 0.056 0.000 1.214 513 F CB -0.576 38.449 39.000 0.041 0.000 0.978 513 F HN 0.110 nan 8.300 nan 0.000 0.474 514 L N 0.475 121.759 121.223 0.102 0.000 2.081 514 L HA -0.091 4.249 4.340 0.000 0.000 0.212 514 L C 2.423 179.250 176.870 -0.072 0.000 1.080 514 L CA 2.221 57.060 54.840 -0.001 0.000 0.754 514 L CB -1.482 40.611 42.059 0.057 0.000 0.893 514 L HN 0.239 nan 8.230 nan 0.000 0.433 515 G N -1.062 107.708 108.800 -0.050 0.000 2.434 515 G HA2 -0.323 3.637 3.960 0.000 0.000 0.214 515 G HA3 -0.323 3.637 3.960 0.000 0.000 0.214 515 G C 1.751 176.568 174.900 -0.138 0.000 1.202 515 G CA 0.694 45.751 45.100 -0.073 0.000 0.788 515 G HN 0.416 nan 8.290 nan 0.000 0.539 516 R N -0.141 120.253 120.500 -0.175 0.000 2.193 516 R HA 0.131 4.471 4.340 0.000 0.000 0.229 516 R C 2.408 178.454 176.300 -0.424 0.000 1.110 516 R CA 0.761 56.688 56.100 -0.288 0.000 0.988 516 R CB -0.302 29.823 30.300 -0.291 0.000 0.871 516 R HN 0.420 nan 8.270 nan 0.000 0.458 517 L N 0.271 121.272 121.223 -0.370 0.000 2.109 517 L HA -0.104 4.236 4.340 0.000 0.000 0.207 517 L C 2.103 178.862 176.870 -0.185 0.000 1.086 517 L CA 1.612 56.264 54.840 -0.312 0.000 0.760 517 L CB -0.164 41.696 42.059 -0.330 0.000 0.910 517 L HN 0.346 nan 8.230 nan 0.000 0.437 518 S N -1.233 114.380 115.700 -0.145 0.000 2.522 518 S HA -0.028 4.442 4.470 0.000 0.000 0.227 518 S C 1.666 176.200 174.600 -0.109 0.000 0.986 518 S CA 0.357 58.502 58.200 -0.091 0.000 0.929 518 S CB -0.130 63.031 63.200 -0.065 0.000 0.769 518 S HN 0.432 nan 8.310 nan 0.000 0.529 519 L N 0.017 121.147 121.223 -0.155 0.000 2.362 519 L HA 0.303 4.643 4.340 0.000 0.000 0.204 519 L C 2.808 179.575 176.870 -0.171 0.000 1.060 519 L CA 0.837 55.586 54.840 -0.152 0.000 0.827 519 L CB -0.352 41.610 42.059 -0.160 0.000 1.027 519 L HN 0.261 nan 8.230 nan 0.000 0.474 520 E N 0.799 120.851 120.200 -0.248 0.000 2.106 520 E HA -0.109 4.241 4.350 0.000 0.000 0.192 520 E C 1.068 177.581 176.600 -0.146 0.000 0.984 520 E CA 0.755 57.007 56.400 -0.247 0.000 0.806 520 E CB 0.255 29.659 29.700 -0.493 0.000 0.750 520 E HN 0.098 nan 8.360 nan 0.000 0.458 521 R N 0.562 120.990 120.500 -0.120 0.000 2.407 521 R HA 0.174 4.514 4.340 0.000 0.000 0.303 521 R C -0.743 175.522 176.300 -0.057 0.000 0.981 521 R CA -0.534 55.538 56.100 -0.047 0.000 0.905 521 R CB 0.758 31.071 30.300 0.021 0.000 1.099 521 R HN -0.064 nan 8.270 nan 0.000 0.459 522 E N 2.613 122.769 120.200 -0.074 0.000 2.212 522 E HA 0.105 4.455 4.350 0.000 0.000 0.270 522 E C -0.602 175.919 176.600 -0.131 0.000 0.956 522 E CA -0.498 55.826 56.400 -0.128 0.000 0.825 522 E CB 1.702 31.280 29.700 -0.202 0.000 1.167 522 E HN 0.619 nan 8.360 nan 0.000 0.400 523 D N 0.478 120.785 120.400 -0.155 0.000 2.323 523 D HA -0.010 4.630 4.640 0.000 0.000 0.239 523 D C 1.059 177.201 176.300 -0.265 0.000 1.129 523 D CA 0.214 54.115 54.000 -0.164 0.000 0.865 523 D CB -0.029 40.705 40.800 -0.111 0.000 0.913 523 D HN 0.291 nan 8.370 nan 0.000 0.517 524 R N -1.313 118.914 120.500 -0.455 0.000 2.566 524 R HA 0.223 4.564 4.340 0.000 0.000 0.388 524 R C 0.033 175.827 176.300 -0.843 0.000 0.989 524 R CA -0.199 55.313 56.100 -0.980 0.000 1.164 524 R CB -0.049 29.389 30.300 -1.436 0.000 1.459 524 R HN -0.134 nan 8.270 nan 0.000 0.553 525 D N 1.617 121.772 120.400 -0.409 0.000 2.348 525 D HA 0.012 4.653 4.640 0.000 0.000 0.216 525 D C 0.916 177.127 176.300 -0.148 0.000 0.970 525 D CA 1.133 55.002 54.000 -0.218 0.000 0.889 525 D CB 0.418 41.182 40.800 -0.060 0.000 0.912 525 D HN 0.490 nan 8.370 nan 0.000 0.524 526 A N -0.400 122.270 122.820 -0.250 0.000 2.684 526 A HA 0.108 4.428 4.320 0.000 0.000 0.288 526 A C 0.432 177.837 177.584 -0.299 0.000 1.337 526 A CA -0.533 51.392 52.037 -0.187 0.000 0.946 526 A CB -0.413 18.544 19.000 -0.070 0.000 1.093 526 A HN 0.217 nan 8.150 nan 0.000 0.543 527 W N -0.724 120.290 121.300 -0.476 0.000 3.047 527 W HA 0.122 4.782 4.660 0.000 0.000 0.250 527 W C 1.370 177.704 176.519 -0.308 0.000 1.314 527 W CA 0.415 57.489 57.345 -0.451 0.000 1.540 527 W CB -0.196 29.008 29.460 -0.426 0.000 1.127 527 W HN 0.562 nan 8.180 nan 0.000 0.679 528 H N -1.023 118.112 119.070 0.108 0.000 2.575 528 H HA 0.269 4.825 4.556 0.000 0.000 0.267 528 H C 0.415 175.789 175.328 0.077 0.000 0.966 528 H CA 0.269 56.365 56.048 0.080 0.000 1.165 528 H CB 0.261 30.058 29.762 0.058 0.000 1.433 528 H HN -0.105 nan 8.280 nan 0.000 0.544 529 L N 2.148 123.483 121.223 0.188 0.000 2.290 529 L HA 0.135 4.476 4.340 0.000 0.000 0.284 529 L C -1.147 175.831 176.870 0.180 0.000 1.078 529 L CA -1.647 53.301 54.840 0.179 0.000 0.815 529 L CB 1.580 43.759 42.059 0.200 0.000 1.162 529 L HN -0.072 nan 8.230 nan 0.000 0.435 530 P HA -0.184 nan 4.420 nan 0.000 0.215 530 P C 1.244 178.613 177.300 0.116 0.000 1.157 530 P CA 1.206 64.373 63.100 0.113 0.000 0.868 530 P CB 0.296 32.046 31.700 0.084 0.000 0.788 531 A N -1.952 120.940 122.820 0.120 0.000 2.067 531 A HA -0.198 4.122 4.320 0.000 0.000 0.219 531 A C 2.115 179.770 177.584 0.118 0.000 1.158 531 A CA 0.893 52.987 52.037 0.095 0.000 0.661 531 A CB -1.783 17.263 19.000 0.078 0.000 0.801 531 A HN 0.131 nan 8.150 nan 0.000 0.452 532 Y N 1.471 121.807 120.300 0.061 0.000 2.102 532 Y HA -0.312 4.238 4.550 0.000 0.000 0.280 532 Y C 1.936 177.853 175.900 0.028 0.000 1.178 532 Y CA 2.456 60.594 58.100 0.063 0.000 1.146 532 Y CB -0.253 38.267 38.460 0.100 0.000 0.968 532 Y HN 0.366 nan 8.280 nan 0.000 0.504 533 K N -1.152 119.319 120.400 0.119 0.000 2.520 533 K HA -0.126 4.194 4.320 0.000 0.000 0.197 533 K C 1.344 177.910 176.600 -0.058 0.000 1.043 533 K CA 0.933 57.231 56.287 0.018 0.000 0.944 533 K CB -0.461 32.059 32.500 0.034 0.000 0.770 533 K HN 0.322 nan 8.250 nan 0.000 0.480 534 c N 0.570 119.127 118.600 -0.072 0.000 2.855 534 c HA 0.189 4.759 4.570 0.000 0.000 0.279 534 c C 0.424 174.450 174.090 -0.106 0.000 1.270 534 c CA -0.721 55.563 56.329 -0.074 0.000 1.702 534 c CB -0.555 41.929 42.510 -0.043 0.000 1.949 534 c HN 0.018 nan 8.230 nan 0.000 0.618 535 V N 2.051 121.859 119.914 -0.176 0.000 2.328 535 V HA 0.236 4.356 4.120 0.000 0.000 0.278 535 V C 0.235 176.231 176.094 -0.163 0.000 1.021 535 V CA -0.007 62.190 62.300 -0.172 0.000 0.838 535 V CB 1.056 32.745 31.823 -0.223 0.000 0.999 535 V HN 0.243 nan 8.190 nan 0.000 0.447 536 D N 3.104 123.439 120.400 -0.109 0.000 2.087 536 D HA -0.028 4.612 4.640 0.000 0.000 0.203 536 D C 1.192 177.443 176.300 -0.081 0.000 0.976 536 D CA 1.305 55.252 54.000 -0.087 0.000 0.865 536 D CB 0.107 40.866 40.800 -0.068 0.000 1.005 536 D HN 0.407 nan 8.370 nan 0.000 0.449 537 R N 1.922 122.384 120.500 -0.063 0.000 3.266 537 R HA 0.146 4.486 4.340 0.000 0.000 0.224 537 R C 1.288 177.556 176.300 -0.054 0.000 1.525 537 R CA -0.092 55.980 56.100 -0.046 0.000 1.364 537 R CB -0.166 30.119 30.300 -0.024 0.000 1.276 537 R HN 0.320 nan 8.270 nan 0.000 0.660 538 L N -0.617 120.554 121.223 -0.087 0.000 2.376 538 L HA -0.063 4.277 4.340 0.000 0.000 0.219 538 L C 1.433 178.258 176.870 -0.076 0.000 1.133 538 L CA 1.130 55.902 54.840 -0.114 0.000 0.816 538 L CB -0.292 41.651 42.059 -0.192 0.000 0.933 538 L HN 0.294 nan 8.230 nan 0.000 0.449 539 D N 0.738 121.110 120.400 -0.045 0.000 2.269 539 D HA -0.192 4.449 4.640 0.000 0.000 0.208 539 D C 0.994 177.296 176.300 0.004 0.000 0.963 539 D CA 0.866 54.851 54.000 -0.025 0.000 0.864 539 D CB -0.202 40.590 40.800 -0.013 0.000 0.936 539 D HN 0.530 nan 8.370 nan 0.000 0.505 540 K N 0.997 121.406 120.400 0.014 0.000 2.577 540 K HA 0.235 4.555 4.320 0.000 0.000 0.210 540 K C -0.301 176.339 176.600 0.066 0.000 1.048 540 K CA -0.203 56.110 56.287 0.043 0.000 1.188 540 K CB 1.536 34.066 32.500 0.049 0.000 0.910 540 K HN 0.006 nan 8.250 nan 0.000 0.483 541 V N 2.376 122.328 119.914 0.063 0.000 2.383 541 V HA 0.113 4.233 4.120 0.000 0.000 0.275 541 V C 1.423 177.628 176.094 0.185 0.000 1.036 541 V CA -0.235 62.132 62.300 0.111 0.000 0.889 541 V CB 1.140 33.013 31.823 0.082 0.000 0.985 541 V HN 0.290 nan 8.190 nan 0.000 0.459 542 L N 4.498 125.825 121.223 0.173 0.000 2.049 542 L HA 0.214 4.554 4.340 0.000 0.000 0.203 542 L C 0.755 177.750 176.870 0.209 0.000 1.074 542 L CA 1.337 56.276 54.840 0.166 0.000 0.749 542 L CB -0.072 42.047 42.059 0.100 0.000 0.907 542 L HN 0.737 nan 8.230 nan 0.000 0.439 543 M N -0.131 119.589 119.600 0.199 0.000 2.523 543 M HA 0.441 4.921 4.480 0.000 0.000 0.287 543 M C -1.784 174.627 176.300 0.185 0.000 1.160 543 M CA -0.729 54.664 55.300 0.156 0.000 0.902 543 M CB 2.371 34.988 32.600 0.028 0.000 1.752 543 M HN 0.025 nan 8.290 nan 0.000 0.504 544 I N 1.120 121.812 120.570 0.203 0.000 2.404 544 I HA 0.641 4.811 4.170 0.000 0.000 0.293 544 I C -1.207 174.999 176.117 0.149 0.000 0.992 544 I CA -0.952 60.475 61.300 0.210 0.000 1.149 544 I CB 1.712 39.876 38.000 0.274 0.000 1.315 544 I HN 0.755 nan 8.210 nan 0.000 0.446 545 I N 6.386 127.061 120.570 0.176 0.000 2.388 545 I HA 0.364 4.535 4.170 0.000 0.000 0.281 545 I C -2.435 173.768 176.117 0.143 0.000 1.046 545 I CA -1.883 59.501 61.300 0.140 0.000 1.187 545 I CB 1.147 39.246 38.000 0.165 0.000 1.351 545 I HN 0.297 nan 8.210 nan 0.000 0.472 546 P HA 0.154 nan 4.420 nan 0.000 0.269 546 P C -0.515 176.781 177.300 -0.007 0.000 1.252 546 P CA -0.064 63.067 63.100 0.051 0.000 0.780 546 P CB 0.626 32.350 31.700 0.041 0.000 0.829 547 L N 3.710 124.974 121.223 0.067 0.000 2.492 547 L HA 0.391 4.731 4.340 0.000 0.000 0.263 547 L C 1.758 178.692 176.870 0.107 0.000 1.062 547 L CA -0.548 54.347 54.840 0.092 0.000 0.817 547 L CB 0.107 42.318 42.059 0.254 0.000 1.441 547 L HN 0.262 nan 8.230 nan 0.000 0.493 548 I N 0.125 120.804 120.570 0.181 0.000 2.072 548 I HA -0.212 3.958 4.170 0.000 0.000 0.235 548 I C 1.309 177.504 176.117 0.130 0.000 1.058 548 I CA 1.276 62.678 61.300 0.169 0.000 1.320 548 I CB -0.229 37.900 38.000 0.215 0.000 1.047 548 I HN 0.613 nan 8.210 nan 0.000 0.397 549 N N 0.067 118.851 118.700 0.141 0.000 2.299 549 N HA 0.099 4.839 4.740 0.000 0.000 0.187 549 N C -0.019 175.529 175.510 0.063 0.000 1.099 549 N CA 0.411 53.521 53.050 0.101 0.000 0.867 549 N CB 1.044 39.598 38.487 0.111 0.000 0.974 549 N HN 0.306 nan 8.380 nan 0.000 0.477 550 V N -2.952 116.997 119.914 0.059 0.000 3.112 550 V HA 0.751 4.871 4.120 0.000 0.000 0.310 550 V C -0.923 175.159 176.094 -0.020 0.000 1.364 550 V CA -0.816 61.467 62.300 -0.028 0.000 1.058 550 V CB 1.601 33.339 31.823 -0.141 0.000 1.079 550 V HN 0.067 nan 8.190 nan 0.000 0.463 551 T N -1.295 113.189 114.554 -0.115 0.000 3.293 551 T HA 0.665 5.015 4.350 0.000 0.000 0.320 551 T C -1.175 173.464 174.700 -0.102 0.000 0.995 551 T CA -0.045 62.042 62.100 -0.020 0.000 1.041 551 T CB 0.641 69.531 68.868 0.037 0.000 1.058 551 T HN 0.615 nan 8.240 nan 0.000 0.453 552 F N 2.277 122.274 119.950 0.079 0.000 2.396 552 F HA 0.604 5.131 4.527 0.000 0.000 0.343 552 F C 0.623 176.479 175.800 0.094 0.000 1.104 552 F CA -1.084 56.969 58.000 0.087 0.000 1.161 552 F CB 1.033 40.083 39.000 0.084 0.000 1.146 552 F HN 0.480 nan 8.300 nan 0.000 0.522 553 I N 5.239 125.967 120.570 0.263 0.000 2.437 553 I HA 0.251 4.421 4.170 0.000 0.000 0.279 553 I C -0.961 175.281 176.117 0.209 0.000 1.028 553 I CA -0.576 60.843 61.300 0.200 0.000 1.142 553 I CB 0.949 39.023 38.000 0.124 0.000 1.266 553 I HN 0.316 nan 8.210 nan 0.000 0.461 554 I N 6.261 126.949 120.570 0.197 0.000 2.352 554 I HA 0.279 4.449 4.170 0.000 0.000 0.290 554 I C 0.554 176.764 176.117 0.155 0.000 1.036 554 I CA 0.646 62.046 61.300 0.166 0.000 1.336 554 I CB 0.974 39.045 38.000 0.118 0.000 1.407 554 I HN 0.620 nan 8.210 nan 0.000 0.497 555 S N 2.477 118.279 115.700 0.169 0.000 2.656 555 S HA 0.489 4.959 4.470 0.000 0.000 0.273 555 S C 0.076 174.796 174.600 0.201 0.000 1.168 555 S CA -0.270 58.027 58.200 0.161 0.000 0.817 555 S CB 1.378 64.664 63.200 0.144 0.000 1.146 555 S HN 0.476 nan 8.310 nan 0.000 0.475 556 S N -0.174 115.629 115.700 0.171 0.000 2.583 556 S HA 0.312 4.782 4.470 0.000 0.000 0.239 556 S C -0.328 174.467 174.600 0.325 0.000 0.966 556 S CA -0.304 58.001 58.200 0.175 0.000 0.973 556 S CB -0.946 62.299 63.200 0.076 0.000 0.794 556 S HN 0.853 nan 8.310 nan 0.000 0.463 557 D N 0.731 121.350 120.400 0.366 0.000 2.879 557 D HA 0.172 4.812 4.640 0.000 0.000 0.236 557 D C 0.087 176.334 176.300 -0.088 0.000 1.171 557 D CA -0.854 53.257 54.000 0.184 0.000 0.868 557 D CB 1.280 42.118 40.800 0.064 0.000 1.598 557 D HN 0.302 nan 8.370 nan 0.000 0.497 558 R N 0.681 120.904 120.500 -0.463 0.000 2.555 558 R HA 0.169 4.509 4.340 0.000 0.000 0.272 558 R C 0.004 176.114 176.300 -0.316 0.000 1.089 558 R CA -0.314 55.361 56.100 -0.708 0.000 1.126 558 R CB 0.069 29.775 30.300 -0.989 0.000 1.250 558 R HN 0.234 nan 8.270 nan 0.000 0.551 559 E N 0.894 120.984 120.200 -0.182 0.000 2.318 559 E HA 0.030 4.380 4.350 0.000 0.000 0.193 559 E C 0.516 177.055 176.600 -0.102 0.000 0.998 559 E CA 0.222 56.550 56.400 -0.119 0.000 0.859 559 E CB 0.228 29.881 29.700 -0.079 0.000 0.812 559 E HN 0.133 nan 8.360 nan 0.000 0.492 560 V N 3.533 123.391 119.914 -0.094 0.000 2.644 560 V HA -0.126 3.994 4.120 0.000 0.000 0.305 560 V C 1.111 177.159 176.094 -0.077 0.000 1.053 560 V CA 0.567 62.824 62.300 -0.071 0.000 1.186 560 V CB -0.059 31.741 31.823 -0.039 0.000 0.895 560 V HN 0.250 nan 8.190 nan 0.000 0.490 561 R N 3.567 124.026 120.500 -0.068 0.000 4.306 561 R HA 0.445 4.786 4.340 0.000 0.000 0.266 561 R C 0.689 176.956 176.300 -0.055 0.000 1.624 561 R CA 0.025 56.087 56.100 -0.063 0.000 1.487 561 R CB 0.043 30.308 30.300 -0.058 0.000 1.441 561 R HN 0.694 nan 8.270 nan 0.000 0.750 562 G N 0.463 109.230 108.800 -0.055 0.000 3.048 562 G HA2 -0.014 3.946 3.960 0.000 0.000 0.151 562 G HA3 -0.014 3.946 3.960 0.000 0.000 0.151 562 G C 0.439 175.306 174.900 -0.055 0.000 1.803 562 G CA -0.248 44.820 45.100 -0.054 0.000 1.047 562 G HN 0.312 nan 8.290 nan 0.000 0.513 563 S N -0.685 114.980 115.700 -0.058 0.000 2.539 563 S HA 0.613 5.083 4.470 0.000 0.000 0.226 563 S C 0.531 175.093 174.600 -0.062 0.000 1.054 563 S CA 0.486 58.654 58.200 -0.053 0.000 0.910 563 S CB 0.671 63.843 63.200 -0.047 0.000 0.818 563 S HN 0.997 nan 8.310 nan 0.000 0.490 564 A N 0.669 123.446 122.820 -0.071 0.000 2.602 564 A HA 0.786 5.106 4.320 0.000 0.000 0.290 564 A C -2.254 175.253 177.584 -0.127 0.000 1.114 564 A CA -0.564 51.397 52.037 -0.126 0.000 0.683 564 A CB 1.010 19.901 19.000 -0.181 0.000 1.281 564 A HN 0.182 nan 8.150 nan 0.000 0.416 565 L N 0.484 121.586 121.223 -0.201 0.000 2.356 565 L HA 0.777 5.117 4.340 0.000 0.000 0.277 565 L C -1.847 174.935 176.870 -0.147 0.000 0.996 565 L CA -0.255 54.513 54.840 -0.120 0.000 0.822 565 L CB 1.230 43.203 42.059 -0.144 0.000 1.256 565 L HN 0.633 nan 8.230 nan 0.000 0.413 566 Y N 2.672 123.068 120.300 0.161 0.000 2.468 566 Y HA 0.658 5.208 4.550 0.000 0.000 0.342 566 Y C -0.274 175.774 175.900 0.247 0.000 1.021 566 Y CA -0.625 57.578 58.100 0.171 0.000 1.079 566 Y CB 1.973 40.523 38.460 0.150 0.000 1.226 566 Y HN 0.600 nan 8.280 nan 0.000 0.460 567 E N 1.598 122.009 120.200 0.352 0.000 2.278 567 E HA 0.722 5.073 4.350 0.000 0.000 0.272 567 E C -1.450 175.170 176.600 0.034 0.000 0.890 567 E CA -0.832 55.657 56.400 0.150 0.000 0.770 567 E CB 1.332 31.129 29.700 0.161 0.000 1.212 567 E HN 0.782 nan 8.360 nan 0.000 0.415 568 A N 2.219 124.974 122.820 -0.107 0.000 2.366 568 A HA 0.234 4.554 4.320 0.000 0.000 0.249 568 A C 1.056 178.602 177.584 -0.064 0.000 1.084 568 A CA 0.363 52.326 52.037 -0.124 0.000 0.794 568 A CB 0.483 19.236 19.000 -0.412 0.000 1.034 568 A HN 0.805 nan 8.150 nan 0.000 0.491 569 S N 0.046 115.747 115.700 0.002 0.000 2.453 569 S HA -0.029 4.441 4.470 0.000 0.000 0.231 569 S C 1.053 175.697 174.600 0.072 0.000 1.005 569 S CA 1.052 59.270 58.200 0.029 0.000 0.949 569 S CB -0.627 62.586 63.200 0.021 0.000 0.774 569 S HN 0.927 nan 8.310 nan 0.000 0.510 570 T N 2.779 117.406 114.554 0.121 0.000 2.901 570 T HA 0.335 4.685 4.350 0.000 0.000 0.301 570 T C 0.841 175.585 174.700 0.074 0.000 1.012 570 T CA 0.547 62.767 62.100 0.200 0.000 1.135 570 T CB 0.707 69.763 68.868 0.314 0.000 0.936 570 T HN 0.470 nan 8.240 nan 0.000 0.539 571 T N 2.044 116.650 114.554 0.088 0.000 3.209 571 T HA 0.184 4.534 4.350 0.000 0.000 0.295 571 T C 1.177 175.864 174.700 -0.022 0.000 0.977 571 T CA -0.368 61.722 62.100 -0.017 0.000 0.922 571 T CB -0.466 68.364 68.868 -0.064 0.000 1.152 571 T HN 0.622 nan 8.240 nan 0.000 0.527 572 Y N 1.981 122.283 120.300 0.005 0.000 2.165 572 Y HA 0.127 4.677 4.550 0.000 0.000 0.286 572 Y C 1.142 177.035 175.900 -0.011 0.000 1.155 572 Y CA 0.499 58.602 58.100 0.006 0.000 1.164 572 Y CB -0.528 37.944 38.460 0.020 0.000 0.978 572 Y HN 0.216 nan 8.280 nan 0.000 0.513 573 L N -0.842 120.462 121.223 0.135 0.000 2.473 573 L HA -0.061 4.279 4.340 0.000 0.000 0.265 573 L C 1.684 178.566 176.870 0.020 0.000 1.243 573 L CA 0.559 55.434 54.840 0.058 0.000 0.822 573 L CB -0.040 42.029 42.059 0.016 0.000 1.101 573 L HN -0.081 nan 8.230 nan 0.000 0.507 574 S N -1.057 114.650 115.700 0.012 0.000 2.351 574 S HA -0.117 4.353 4.470 0.000 0.000 0.220 574 S C 0.926 175.522 174.600 -0.007 0.000 1.035 574 S CA 1.508 59.711 58.200 0.004 0.000 1.031 574 S CB -0.166 63.039 63.200 0.010 0.000 0.928 574 S HN 0.672 nan 8.310 nan 0.000 0.433 575 S N 0.203 115.895 115.700 -0.013 0.000 2.667 575 S HA 0.566 5.036 4.470 0.000 0.000 0.292 575 S C 0.212 174.757 174.600 -0.090 0.000 1.108 575 S CA -0.809 57.376 58.200 -0.026 0.000 0.992 575 S CB 1.153 64.357 63.200 0.006 0.000 1.269 575 S HN 0.301 nan 8.310 nan 0.000 0.528 576 S N 0.538 116.135 115.700 -0.172 0.000 2.713 576 S HA 0.577 5.047 4.470 0.000 0.000 0.283 576 S C -1.047 173.261 174.600 -0.488 0.000 1.161 576 S CA -0.511 57.444 58.200 -0.407 0.000 0.999 576 S CB 0.830 63.592 63.200 -0.729 0.000 1.039 576 S HN 0.406 nan 8.310 nan 0.000 0.548 577 L N 2.609 123.495 121.223 -0.562 0.000 2.301 577 L HA 0.543 4.883 4.340 0.000 0.000 0.278 577 L C -1.670 174.950 176.870 -0.416 0.000 1.022 577 L CA -0.103 54.494 54.840 -0.406 0.000 0.854 577 L CB -0.546 41.281 42.059 -0.388 0.000 1.226 577 L HN 0.404 nan 8.230 nan 0.000 0.429 578 F N 4.487 124.434 119.950 -0.005 0.000 2.403 578 F HA 0.613 5.140 4.527 0.000 0.000 0.326 578 F C -0.122 175.725 175.800 0.079 0.000 1.081 578 F CA -0.696 57.329 58.000 0.041 0.000 1.041 578 F CB 1.329 40.353 39.000 0.040 0.000 1.234 578 F HN 0.133 nan 8.300 nan 0.000 0.503 579 L N 1.700 123.155 121.223 0.386 0.000 2.471 579 L HA 0.337 4.677 4.340 0.000 0.000 0.263 579 L C -0.810 176.284 176.870 0.374 0.000 0.985 579 L CA -0.131 54.920 54.840 0.352 0.000 0.868 579 L CB 1.455 43.713 42.059 0.331 0.000 1.203 579 L HN 0.460 nan 8.230 nan 0.000 0.429 580 S N 4.720 120.582 115.700 0.269 0.000 2.420 580 S HA 0.480 4.950 4.470 0.000 0.000 0.313 580 S C -2.480 172.172 174.600 0.087 0.000 1.079 580 S CA -1.045 57.245 58.200 0.151 0.000 1.104 580 S CB 1.040 64.278 63.200 0.064 0.000 0.969 580 S HN 0.284 nan 8.310 nan 0.000 0.471 581 P HA 0.323 nan 4.420 nan 0.000 0.301 581 P C -0.999 176.163 177.300 -0.231 0.000 1.338 581 P CA -0.599 62.278 63.100 -0.371 0.000 0.834 581 P CB 1.321 32.680 31.700 -0.567 0.000 0.967 582 V N 6.383 126.166 119.914 -0.219 0.000 2.304 582 V HA 0.191 4.311 4.120 0.000 0.000 0.262 582 V C 1.082 177.105 176.094 -0.117 0.000 1.061 582 V CA -0.675 61.554 62.300 -0.118 0.000 0.872 582 V CB 0.514 32.300 31.823 -0.062 0.000 1.077 582 V HN 0.562 nan 8.190 nan 0.000 0.480 583 I N 5.846 126.360 120.570 -0.094 0.000 2.648 583 I HA 0.130 4.300 4.170 0.000 0.000 0.284 583 I C 0.993 177.095 176.117 -0.025 0.000 1.153 583 I CA -0.074 61.191 61.300 -0.060 0.000 1.426 583 I CB 0.516 38.495 38.000 -0.035 0.000 1.381 583 I HN 0.778 nan 8.210 nan 0.000 0.571 584 M N 6.008 125.605 119.600 -0.005 0.000 2.576 584 M HA -0.329 4.151 4.480 0.000 0.000 0.200 584 M C 0.595 176.902 176.300 0.011 0.000 0.487 584 M CA 1.045 56.353 55.300 0.012 0.000 0.553 584 M CB -2.178 30.430 32.600 0.014 0.000 2.042 584 M HN 0.883 nan 8.290 nan 0.000 0.758 585 N N -0.738 117.965 118.700 0.005 0.000 2.644 585 N HA -0.261 4.479 4.740 0.000 0.000 0.248 585 N C -0.371 175.147 175.510 0.013 0.000 1.150 585 N CA 1.506 54.565 53.050 0.014 0.000 0.727 585 N CB -0.647 37.860 38.487 0.035 0.000 1.091 585 N HN 0.813 nan 8.380 nan 0.000 0.556 586 K N -0.369 120.032 120.400 0.002 0.000 2.426 586 K HA 0.606 4.927 4.320 0.000 0.000 0.254 586 K C -0.255 176.338 176.600 -0.012 0.000 0.936 586 K CA -0.987 55.300 56.287 0.000 0.000 0.801 586 K CB 1.303 33.805 32.500 0.003 0.000 1.139 586 K HN 0.143 nan 8.250 nan 0.000 0.424 587 c N 0.729 119.320 118.600 -0.015 0.000 2.365 587 c HA 0.742 5.312 4.570 0.000 0.000 0.349 587 c C 0.621 174.696 174.090 -0.025 0.000 1.191 587 c CA -0.831 55.483 56.329 -0.025 0.000 2.114 587 c CB 0.634 43.127 42.510 -0.030 0.000 2.367 587 c HN 0.912 nan 8.230 nan 0.000 0.530 588 S N 1.624 117.307 115.700 -0.030 0.000 2.672 588 S HA 0.442 4.912 4.470 0.000 0.000 0.276 588 S C -0.395 174.185 174.600 -0.033 0.000 1.207 588 S CA -0.603 57.580 58.200 -0.029 0.000 1.002 588 S CB 0.547 63.729 63.200 -0.030 0.000 0.998 588 S HN 0.931 nan 8.310 nan 0.000 0.542 589 Q N 0.708 120.490 119.800 -0.030 0.000 2.286 589 Q HA 0.504 4.844 4.340 0.000 0.000 0.267 589 Q C 0.529 176.507 176.000 -0.037 0.000 1.028 589 Q CA -0.292 55.492 55.803 -0.032 0.000 0.901 589 Q CB -0.167 28.555 28.738 -0.028 0.000 1.183 589 Q HN 1.453 nan 8.270 nan 0.000 0.392 590 G N 1.102 109.876 108.800 -0.042 0.000 2.705 590 G HA2 0.083 4.043 3.960 0.000 0.000 0.686 590 G HA3 0.083 4.043 3.960 0.000 0.000 0.686 590 G C -0.472 174.394 174.900 -0.057 0.000 1.285 590 G CA -0.543 44.528 45.100 -0.048 0.000 0.800 590 G HN 1.062 nan 8.290 nan 0.000 0.611 591 A N 0.690 123.469 122.820 -0.068 0.000 2.280 591 A HA 0.833 5.154 4.320 0.000 0.000 0.268 591 A C 1.180 178.714 177.584 -0.083 0.000 1.111 591 A CA 0.313 52.299 52.037 -0.085 0.000 0.814 591 A CB 0.377 19.313 19.000 -0.107 0.000 1.093 591 A HN 2.087 nan 8.150 nan 0.000 0.498 592 V N 0.121 119.975 119.914 -0.099 0.000 3.139 592 V HA 0.355 4.475 4.120 0.000 0.000 0.307 592 V C 1.325 177.368 176.094 -0.085 0.000 1.095 592 V CA -0.012 62.232 62.300 -0.093 0.000 1.160 592 V CB 0.002 31.757 31.823 -0.113 0.000 1.003 592 V HN 1.169 nan 8.190 nan 0.000 0.489 593 A N 2.393 125.171 122.820 -0.070 0.000 2.364 593 A HA 0.541 4.862 4.320 0.000 0.000 0.258 593 A C 1.046 178.595 177.584 -0.058 0.000 1.131 593 A CA 0.272 52.275 52.037 -0.057 0.000 0.800 593 A CB -0.588 18.385 19.000 -0.045 0.000 1.086 593 A HN 1.335 nan 8.150 nan 0.000 0.508 594 G N -1.782 106.992 108.800 -0.043 0.000 2.664 594 G HA2 0.421 4.381 3.960 0.000 0.000 0.242 594 G HA3 0.421 4.381 3.960 0.000 0.000 0.242 594 G C -0.037 174.846 174.900 -0.029 0.000 1.225 594 G CA 0.857 45.935 45.100 -0.035 0.000 0.849 594 G HN 1.366 nan 8.290 nan 0.000 0.581 595 E N -0.627 119.565 120.200 -0.013 0.000 7.054 595 E HA -0.128 4.222 4.350 0.000 0.000 0.352 595 E C -2.330 174.268 176.600 -0.003 0.000 0.918 595 E CA 0.169 56.572 56.400 0.004 0.000 1.185 595 E CB -0.626 29.075 29.700 0.002 0.000 0.924 595 E HN 0.393 nan 8.360 nan 0.000 0.289 596 P HA 0.183 nan 4.420 nan 0.000 0.274 596 P C -0.563 176.742 177.300 0.009 0.000 1.237 596 P CA -0.391 62.726 63.100 0.028 0.000 0.793 596 P CB 0.567 32.367 31.700 0.167 0.000 0.977 597 R N 1.733 122.192 120.500 -0.068 0.000 2.340 597 R HA 0.136 4.476 4.340 0.000 0.000 0.300 597 R C -0.054 176.303 176.300 0.096 0.000 1.069 597 R CA -0.204 55.852 56.100 -0.073 0.000 0.984 597 R CB 0.349 30.461 30.300 -0.314 0.000 1.003 597 R HN 0.503 nan 8.270 nan 0.000 0.459 598 Q N 3.912 123.791 119.800 0.132 0.000 2.293 598 Q HA 0.205 4.545 4.340 0.000 0.000 0.251 598 Q C -0.171 175.971 176.000 0.237 0.000 0.930 598 Q CA -0.316 55.588 55.803 0.169 0.000 0.893 598 Q CB 1.474 30.270 28.738 0.095 0.000 1.215 598 Q HN 0.537 nan 8.270 nan 0.000 0.425 599 I N 5.073 125.762 120.570 0.198 0.000 2.494 599 I HA 0.066 4.236 4.170 0.000 0.000 0.289 599 I C -1.668 174.483 176.117 0.057 0.000 1.106 599 I CA -1.566 59.795 61.300 0.102 0.000 1.369 599 I CB -0.060 37.950 38.000 0.017 0.000 1.410 599 I HN 0.344 nan 8.210 nan 0.000 0.523 600 P HA 0.143 nan 4.420 nan 0.000 0.275 600 P C -1.054 176.243 177.300 -0.005 0.000 1.227 600 P CA -0.414 62.703 63.100 0.028 0.000 0.781 600 P CB 0.768 32.492 31.700 0.039 0.000 0.906 601 K N 2.968 123.357 120.400 -0.019 0.000 2.172 601 K HA 0.567 4.887 4.320 0.000 0.000 0.276 601 K C 0.018 176.575 176.600 -0.070 0.000 1.013 601 K CA -0.616 55.648 56.287 -0.039 0.000 0.913 601 K CB 1.122 33.600 32.500 -0.038 0.000 1.055 601 K HN 0.460 nan 8.250 nan 0.000 0.461 602 I N 1.986 122.498 120.570 -0.098 0.000 2.608 602 I HA 0.149 4.320 4.170 0.000 0.000 0.295 602 I C 0.299 176.286 176.117 -0.217 0.000 1.049 602 I CA -0.491 60.708 61.300 -0.169 0.000 1.063 602 I CB 2.139 40.016 38.000 -0.205 0.000 1.248 602 I HN 0.618 nan 8.210 nan 0.000 0.424 603 Q N 2.533 122.187 119.800 -0.244 0.000 2.103 603 Q HA 0.199 4.539 4.340 0.000 0.000 0.219 603 Q C 0.966 176.827 176.000 -0.232 0.000 0.784 603 Q CA -0.240 55.415 55.803 -0.247 0.000 1.014 603 Q CB 0.771 29.389 28.738 -0.201 0.000 1.183 603 Q HN 0.582 nan 8.270 nan 0.000 0.469 604 N N 0.965 119.470 118.700 -0.325 0.000 2.022 604 N HA -0.080 4.660 4.740 0.000 0.000 0.194 604 N C 0.215 175.612 175.510 -0.187 0.000 1.057 604 N CA 1.052 53.913 53.050 -0.315 0.000 0.849 604 N CB -0.187 38.015 38.487 -0.475 0.000 1.044 604 N HN 0.074 nan 8.380 nan 0.000 0.424 605 F N 1.498 121.457 119.950 0.015 0.000 2.637 605 F HA -0.060 4.467 4.527 0.000 0.000 0.372 605 F C 1.451 177.252 175.800 0.003 0.000 1.107 605 F CA -0.194 57.835 58.000 0.049 0.000 1.325 605 F CB -0.610 38.499 39.000 0.182 0.000 1.016 605 F HN -0.028 nan 8.300 nan 0.000 0.593 606 T N 0.970 115.647 114.554 0.204 0.000 2.943 606 T HA 0.484 4.834 4.350 0.000 0.000 0.284 606 T C 1.172 175.926 174.700 0.090 0.000 1.015 606 T CA -1.066 61.092 62.100 0.097 0.000 1.042 606 T CB 1.740 70.643 68.868 0.058 0.000 1.055 606 T HN 0.544 nan 8.240 nan 0.000 0.500 607 R N 0.857 121.395 120.500 0.063 0.000 2.096 607 R HA -0.028 4.312 4.340 0.000 0.000 0.229 607 R C 0.739 177.064 176.300 0.042 0.000 1.134 607 R CA 1.218 57.355 56.100 0.062 0.000 0.917 607 R CB -1.380 28.956 30.300 0.059 0.000 0.832 607 R HN 0.670 nan 8.270 nan 0.000 0.430 608 T N 2.680 117.249 114.554 0.025 0.000 2.871 608 T HA 0.022 4.372 4.350 0.000 0.000 0.296 608 T C 0.121 174.811 174.700 -0.017 0.000 0.998 608 T CA 0.383 62.485 62.100 0.004 0.000 1.162 608 T CB 0.628 69.497 68.868 0.002 0.000 0.947 608 T HN 0.092 nan 8.240 nan 0.000 0.536 609 Q N 2.008 121.782 119.800 -0.044 0.000 2.323 609 Q HA 0.314 4.654 4.340 0.000 0.000 0.271 609 Q C 0.657 176.604 176.000 -0.088 0.000 1.048 609 Q CA -0.659 55.091 55.803 -0.088 0.000 0.792 609 Q CB 2.491 31.134 28.738 -0.159 0.000 1.280 609 Q HN 0.660 nan 8.270 nan 0.000 0.441 610 K N 1.112 121.461 120.400 -0.085 0.000 1.975 610 K HA -0.008 4.312 4.320 0.000 0.000 0.210 610 K C 0.823 177.365 176.600 -0.096 0.000 1.041 610 K CA 1.228 57.470 56.287 -0.075 0.000 0.942 610 K CB 0.118 32.581 32.500 -0.061 0.000 0.729 610 K HN 0.696 nan 8.250 nan 0.000 0.439 611 S N -0.600 115.029 115.700 -0.118 0.000 2.694 611 S HA 0.115 4.585 4.470 0.000 0.000 0.278 611 S C 0.057 174.541 174.600 -0.193 0.000 1.152 611 S CA -0.998 57.121 58.200 -0.135 0.000 1.010 611 S CB 1.352 64.479 63.200 -0.122 0.000 1.104 611 S HN 0.382 nan 8.310 nan 0.000 0.547 612 C N 2.029 121.208 119.300 -0.201 0.000 2.262 612 C HA 0.440 4.900 4.460 0.000 0.000 0.413 612 C C 1.628 176.408 174.990 -0.350 0.000 1.019 612 C CA -0.860 58.005 59.018 -0.256 0.000 1.320 612 C CB -2.900 24.714 27.740 -0.210 0.000 1.657 612 C HN 0.760 nan 8.230 nan 0.000 0.510 613 I N 2.782 123.052 120.570 -0.501 0.000 2.094 613 I HA -0.065 4.105 4.170 0.000 0.000 0.234 613 I C 0.748 176.487 176.117 -0.630 0.000 1.063 613 I CA 1.497 62.419 61.300 -0.629 0.000 1.328 613 I CB -0.452 36.922 38.000 -1.044 0.000 1.058 613 I HN 0.419 nan 8.210 nan 0.000 0.400 614 F N 0.819 120.581 119.950 -0.314 0.000 2.659 614 F HA 0.167 4.694 4.527 0.000 0.000 0.360 614 F C 1.149 176.686 175.800 -0.439 0.000 1.218 614 F CA -0.713 57.092 58.000 -0.326 0.000 1.317 614 F CB -1.052 37.962 39.000 0.024 0.000 1.697 614 F HN 0.108 nan 8.300 nan 0.000 0.637 615 C N 0.696 119.651 119.300 -0.574 0.000 3.529 615 C HA 0.184 4.644 4.460 0.000 0.000 0.288 615 C C 2.818 177.603 174.990 -0.342 0.000 1.353 615 C CA 1.208 59.989 59.018 -0.395 0.000 1.705 615 C CB -0.780 26.753 27.740 -0.344 0.000 2.156 615 C HN 0.828 nan 8.230 nan 0.000 0.555 616 G N 0.122 108.736 108.800 -0.310 0.000 3.094 616 G HA2 0.141 4.102 3.960 0.000 0.000 0.208 616 G HA3 0.141 4.102 3.960 0.000 0.000 0.208 616 G C 0.298 175.471 174.900 0.456 0.000 1.189 616 G CA 0.233 45.371 45.100 0.063 0.000 0.856 616 G HN 0.296 nan 8.290 nan 0.000 0.510 617 F N 0.200 120.260 119.950 0.185 0.000 2.377 617 F HA 0.808 5.335 4.527 0.000 0.000 0.335 617 F C 0.515 176.477 175.800 0.270 0.000 1.099 617 F CA -2.322 55.816 58.000 0.230 0.000 1.072 617 F CB 0.970 40.077 39.000 0.178 0.000 1.417 617 F HN 0.061 nan 8.300 nan 0.000 0.495 618 A N 0.411 123.480 122.820 0.415 0.000 2.549 618 A HA 0.751 5.071 4.320 0.000 0.000 0.297 618 A C -1.633 176.039 177.584 0.145 0.000 1.061 618 A CA -0.630 51.590 52.037 0.305 0.000 0.690 618 A CB 1.395 20.571 19.000 0.294 0.000 1.287 618 A HN 0.640 nan 8.150 nan 0.000 0.402 619 L N 1.264 122.577 121.223 0.150 0.000 2.325 619 L HA 0.679 5.019 4.340 0.000 0.000 0.278 619 L C -1.156 175.803 176.870 0.148 0.000 1.023 619 L CA -0.892 54.038 54.840 0.151 0.000 0.811 619 L CB 1.777 43.962 42.059 0.210 0.000 1.249 619 L HN 0.628 nan 8.230 nan 0.000 0.431 620 L N 3.018 124.318 121.223 0.128 0.000 2.446 620 L HA 0.403 4.743 4.340 0.000 0.000 0.268 620 L C -0.309 176.616 176.870 0.092 0.000 0.975 620 L CA -0.063 54.837 54.840 0.099 0.000 0.848 620 L CB 1.822 43.911 42.059 0.051 0.000 1.225 620 L HN 0.607 nan 8.230 nan 0.000 0.410 621 S N 3.668 119.369 115.700 0.001 0.000 2.462 621 S HA 0.790 5.260 4.470 0.000 0.000 0.294 621 S C -0.747 173.773 174.600 -0.133 0.000 1.144 621 S CA -0.514 57.540 58.200 -0.243 0.000 1.088 621 S CB 1.167 64.045 63.200 -0.537 0.000 1.009 621 S HN 0.549 nan 8.310 nan 0.000 0.484 622 Y N -0.561 119.619 120.300 -0.200 0.000 2.512 622 Y HA 0.747 5.297 4.550 0.000 0.000 0.348 622 Y C -0.851 174.956 175.900 -0.156 0.000 0.990 622 Y CA -1.377 56.644 58.100 -0.132 0.000 1.033 622 Y CB 0.821 39.249 38.460 -0.054 0.000 1.259 622 Y HN 0.621 nan 8.280 nan 0.000 0.461 623 D N 1.865 122.258 120.400 -0.013 0.000 2.210 623 D HA 0.172 4.812 4.640 0.000 0.000 0.249 623 D C 0.758 177.085 176.300 0.045 0.000 1.062 623 D CA -0.195 53.736 54.000 -0.114 0.000 0.891 623 D CB 1.483 42.199 40.800 -0.140 0.000 1.186 623 D HN 0.821 nan 8.370 nan 0.000 0.432 624 E N 1.748 121.918 120.200 -0.051 0.000 2.058 624 E HA -0.213 4.137 4.350 0.000 0.000 0.194 624 E C 1.247 177.764 176.600 -0.139 0.000 0.997 624 E CA 1.329 57.739 56.400 0.018 0.000 0.801 624 E CB 0.286 29.930 29.700 -0.094 0.000 0.746 624 E HN 0.425 nan 8.360 nan 0.000 0.450 625 K N 0.168 120.365 120.400 -0.339 0.000 2.005 625 K HA -0.030 4.290 4.320 0.000 0.000 0.206 625 K C 1.010 177.558 176.600 -0.086 0.000 1.044 625 K CA 0.704 56.819 56.287 -0.287 0.000 0.942 625 K CB 0.026 32.288 32.500 -0.396 0.000 0.727 625 K HN -0.049 nan 8.250 nan 0.000 0.439 626 E N -0.377 119.764 120.200 -0.098 0.000 2.622 626 E HA 0.162 4.512 4.350 0.000 0.000 0.255 626 E C 0.627 177.226 176.600 -0.002 0.000 1.313 626 E CA -0.024 56.348 56.400 -0.046 0.000 1.011 626 E CB 0.321 29.980 29.700 -0.068 0.000 1.173 626 E HN 0.237 nan 8.360 nan 0.000 0.601 627 G N -0.330 108.471 108.800 0.002 0.000 2.711 627 G HA2 0.167 4.127 3.960 0.000 0.000 0.186 627 G HA3 0.167 4.127 3.960 0.000 0.000 0.186 627 G C -0.464 174.460 174.900 0.039 0.000 1.635 627 G CA -0.510 44.601 45.100 0.018 0.000 1.065 627 G HN 0.308 nan 8.290 nan 0.000 0.545 628 L N 0.758 122.001 121.223 0.033 0.000 2.305 628 L HA 0.265 4.605 4.340 0.000 0.000 0.281 628 L C 1.197 178.071 176.870 0.007 0.000 1.085 628 L CA -0.665 54.204 54.840 0.048 0.000 0.813 628 L CB 1.386 43.469 42.059 0.040 0.000 1.157 628 L HN 0.482 nan 8.230 nan 0.000 0.436 629 E N 1.849 122.038 120.200 -0.018 0.000 2.025 629 E HA 0.046 4.396 4.350 0.000 0.000 0.198 629 E C 0.536 177.107 176.600 -0.048 0.000 0.955 629 E CA 0.932 57.292 56.400 -0.067 0.000 0.862 629 E CB 0.128 29.744 29.700 -0.141 0.000 0.837 629 E HN 0.724 nan 8.360 nan 0.000 0.488 630 T N -1.689 112.838 114.554 -0.045 0.000 2.907 630 T HA 0.525 4.875 4.350 0.000 0.000 0.292 630 T C -0.328 174.415 174.700 0.071 0.000 1.043 630 T CA -0.767 61.341 62.100 0.014 0.000 1.003 630 T CB 2.277 71.169 68.868 0.039 0.000 1.084 630 T HN 0.026 nan 8.240 nan 0.000 0.483 631 T N 1.116 115.724 114.554 0.091 0.000 2.863 631 T HA 0.705 5.055 4.350 0.000 0.000 0.285 631 T C -1.109 173.680 174.700 0.148 0.000 1.009 631 T CA -0.327 61.841 62.100 0.113 0.000 0.989 631 T CB 1.446 70.354 68.868 0.067 0.000 1.004 631 T HN 0.892 nan 8.240 nan 0.000 0.455 632 T N 3.732 118.392 114.554 0.177 0.000 2.916 632 T HA 0.396 4.746 4.350 0.000 0.000 0.298 632 T C -1.763 173.104 174.700 0.280 0.000 1.031 632 T CA -0.470 61.750 62.100 0.200 0.000 0.993 632 T CB 1.072 69.963 68.868 0.037 0.000 1.045 632 T HN 0.605 nan 8.240 nan 0.000 0.454 633 Y N 3.452 123.888 120.300 0.226 0.000 2.402 633 Y HA 0.532 5.082 4.550 0.000 0.000 0.332 633 Y C -0.138 175.874 175.900 0.187 0.000 0.960 633 Y CA -1.194 57.035 58.100 0.214 0.000 1.228 633 Y CB 0.391 38.988 38.460 0.229 0.000 1.120 633 Y HN 0.598 nan 8.280 nan 0.000 0.491 634 I N 7.385 127.844 120.570 -0.185 0.000 2.455 634 I HA -0.056 4.114 4.170 0.000 0.000 0.303 634 I C 1.451 177.275 176.117 -0.489 0.000 1.180 634 I CA 0.252 61.388 61.300 -0.274 0.000 1.469 634 I CB 0.165 38.084 38.000 -0.134 0.000 1.480 634 I HN 0.794 nan 8.210 nan 0.000 0.669 635 T N 1.617 115.898 114.554 -0.455 0.000 2.622 635 T HA -0.126 4.224 4.350 0.000 0.000 0.266 635 T C 0.938 175.481 174.700 -0.263 0.000 1.047 635 T CA 1.310 63.188 62.100 -0.370 0.000 1.159 635 T CB -0.132 68.621 68.868 -0.191 0.000 0.863 635 T HN 0.616 nan 8.240 nan 0.000 0.422 636 S N -0.610 114.956 115.700 -0.222 0.000 2.806 636 S HA 0.539 5.010 4.470 0.000 0.000 0.306 636 S C 0.760 175.263 174.600 -0.162 0.000 1.167 636 S CA -0.444 57.655 58.200 -0.167 0.000 0.847 636 S CB 1.822 64.950 63.200 -0.119 0.000 1.216 636 S HN 0.224 nan 8.310 nan 0.000 0.532 637 Q N 1.467 121.186 119.800 -0.134 0.000 2.014 637 Q HA -0.229 4.111 4.340 0.000 0.000 0.207 637 Q C 1.937 177.868 176.000 -0.115 0.000 0.993 637 Q CA 2.918 58.646 55.803 -0.125 0.000 0.850 637 Q CB -0.888 27.788 28.738 -0.104 0.000 0.916 637 Q HN 0.901 nan 8.270 nan 0.000 0.417 638 E N -1.029 119.107 120.200 -0.107 0.000 2.114 638 E HA -0.237 4.113 4.350 0.000 0.000 0.199 638 E C 1.824 178.352 176.600 -0.121 0.000 1.008 638 E CA 1.927 58.266 56.400 -0.102 0.000 0.810 638 E CB -0.597 29.044 29.700 -0.097 0.000 0.739 638 E HN 0.287 nan 8.360 nan 0.000 0.456 639 V N 1.362 121.182 119.914 -0.158 0.000 2.307 639 V HA -0.299 3.821 4.120 0.000 0.000 0.245 639 V C 2.757 178.765 176.094 -0.143 0.000 1.045 639 V CA 2.211 64.397 62.300 -0.191 0.000 1.024 639 V CB -0.941 30.715 31.823 -0.279 0.000 0.651 639 V HN 0.335 nan 8.190 nan 0.000 0.449 640 Q N 0.341 120.069 119.800 -0.119 0.000 2.135 640 Q HA -0.246 4.094 4.340 0.000 0.000 0.204 640 Q C 2.148 178.130 176.000 -0.029 0.000 0.981 640 Q CA 2.033 57.802 55.803 -0.058 0.000 0.856 640 Q CB -0.141 28.553 28.738 -0.073 0.000 0.902 640 Q HN 0.695 nan 8.270 nan 0.000 0.425 641 N N 0.269 118.937 118.700 -0.053 0.000 2.142 641 N HA -0.110 4.630 4.740 0.000 0.000 0.186 641 N C 1.659 177.157 175.510 -0.021 0.000 1.023 641 N CA 1.523 54.554 53.050 -0.032 0.000 0.852 641 N CB -0.219 38.240 38.487 -0.046 0.000 0.998 641 N HN 0.309 nan 8.380 nan 0.000 0.424 642 S N -0.003 115.667 115.700 -0.050 0.000 2.803 642 S HA 0.138 4.608 4.470 0.000 0.000 0.226 642 S C 1.502 176.078 174.600 -0.040 0.000 0.962 642 S CA 0.203 58.375 58.200 -0.046 0.000 0.968 642 S CB -0.409 62.745 63.200 -0.076 0.000 0.786 642 S HN 0.261 nan 8.310 nan 0.000 0.527 643 I N -0.896 119.661 120.570 -0.022 0.000 4.228 643 I HA 0.183 4.353 4.170 0.000 0.000 0.298 643 I C 1.595 177.811 176.117 0.164 0.000 1.206 643 I CA 0.125 61.410 61.300 -0.025 0.000 1.322 643 I CB 0.080 37.980 38.000 -0.167 0.000 1.411 643 I HN 0.202 nan 8.210 nan 0.000 0.454 644 L N 0.867 122.201 121.223 0.185 0.000 2.313 644 L HA -0.021 4.319 4.340 0.000 0.000 0.214 644 L C 2.569 179.529 176.870 0.150 0.000 1.119 644 L CA 1.158 56.140 54.840 0.237 0.000 0.809 644 L CB -0.473 41.690 42.059 0.172 0.000 0.933 644 L HN 0.311 nan 8.230 nan 0.000 0.449 645 S N -0.875 114.882 115.700 0.094 0.000 2.387 645 S HA -0.013 4.458 4.470 0.000 0.000 0.221 645 S C 1.369 176.008 174.600 0.064 0.000 1.041 645 S CA 0.225 58.461 58.200 0.060 0.000 0.959 645 S CB -0.472 62.746 63.200 0.029 0.000 0.843 645 S HN 0.430 nan 8.310 nan 0.000 0.488 646 S N 2.364 118.105 115.700 0.068 0.000 2.634 646 S HA 0.253 4.723 4.470 0.000 0.000 0.254 646 S C 0.280 174.928 174.600 0.081 0.000 1.299 646 S CA -0.602 57.636 58.200 0.063 0.000 0.974 646 S CB -0.212 63.025 63.200 0.062 0.000 1.001 646 S HN 0.423 nan 8.310 nan 0.000 0.584 647 N N 0.371 119.101 118.700 0.050 0.000 2.597 647 N HA 0.096 4.836 4.740 0.000 0.000 0.269 647 N C 0.178 175.677 175.510 -0.018 0.000 1.204 647 N CA -0.014 53.043 53.050 0.011 0.000 0.947 647 N CB -0.361 38.114 38.487 -0.021 0.000 1.258 647 N HN 0.700 nan 8.380 nan 0.000 0.508 648 Y N 0.542 120.769 120.300 -0.121 0.000 2.274 648 Y HA -0.051 4.499 4.550 0.000 0.000 0.290 648 Y C -0.014 175.604 175.900 -0.470 0.000 1.145 648 Y CA 1.147 59.089 58.100 -0.263 0.000 1.203 648 Y CB -0.002 38.251 38.460 -0.344 0.000 0.984 648 Y HN -0.086 nan 8.280 nan 0.000 0.533 649 F N 0.428 120.147 119.950 -0.385 0.000 2.399 649 F HA 0.349 4.876 4.527 0.000 0.000 0.328 649 F C -0.072 175.232 175.800 -0.827 0.000 1.084 649 F CA -0.714 56.697 58.000 -0.981 0.000 1.053 649 F CB 1.111 39.443 39.000 -1.113 0.000 1.209 649 F HN -0.181 nan 8.300 nan 0.000 0.502 650 D N 1.579 121.567 120.400 -0.687 0.000 2.934 650 D HA 0.152 4.792 4.640 0.000 0.000 0.249 650 D C -0.033 176.162 176.300 -0.175 0.000 1.293 650 D CA -0.231 53.562 54.000 -0.345 0.000 0.812 650 D CB -0.296 40.437 40.800 -0.111 0.000 1.439 650 D HN 0.176 nan 8.370 nan 0.000 0.555 651 F N 0.094 120.079 119.950 0.058 0.000 2.451 651 F HA 0.072 4.599 4.527 0.000 0.000 0.299 651 F C 1.688 177.508 175.800 0.033 0.000 1.101 651 F CA 0.312 58.354 58.000 0.070 0.000 1.436 651 F CB -0.149 38.862 39.000 0.019 0.000 1.074 651 F HN 0.197 nan 8.300 nan 0.000 0.553 652 D N 0.669 121.136 120.400 0.112 0.000 2.504 652 D HA -0.025 4.615 4.640 0.000 0.000 0.243 652 D C 0.053 176.356 176.300 0.004 0.000 1.203 652 D CA 0.372 54.404 54.000 0.054 0.000 0.847 652 D CB -0.488 40.327 40.800 0.025 0.000 0.973 652 D HN 0.168 nan 8.370 nan 0.000 0.490 653 N N 1.451 120.154 118.700 0.005 0.000 2.594 653 N HA 0.010 4.750 4.740 0.000 0.000 0.280 653 N C 0.846 176.286 175.510 -0.117 0.000 1.156 653 N CA -0.435 52.577 53.050 -0.064 0.000 0.831 653 N CB 1.038 39.493 38.487 -0.054 0.000 1.379 653 N HN -0.140 nan 8.380 nan 0.000 0.536 654 L N 2.373 123.484 121.223 -0.187 0.000 2.191 654 L HA -0.114 4.226 4.340 0.000 0.000 0.212 654 L C 1.747 178.415 176.870 -0.337 0.000 1.103 654 L CA 1.309 56.019 54.840 -0.217 0.000 0.769 654 L CB -0.884 41.046 42.059 -0.214 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.801 118.109 119.070 -0.265 0.000 2.389 655 H HA 0.067 4.623 4.556 0.000 0.000 0.299 655 H C 0.578 175.599 175.328 -0.513 0.000 1.081 655 H CA 0.359 56.203 56.048 -0.340 0.000 1.345 655 H CB -0.046 29.562 29.762 -0.257 0.000 1.393 655 H HN 0.043 nan 8.280 nan 0.000 0.520 656 V N 2.402 122.080 119.914 -0.393 0.000 2.481 656 V HA 0.177 4.297 4.120 0.000 0.000 0.286 656 V C 0.147 175.788 176.094 -0.755 0.000 1.042 656 V CA -0.574 61.384 62.300 -0.570 0.000 0.928 656 V CB 1.892 33.450 31.823 -0.443 0.000 0.986 656 V HN 0.341 nan 8.190 nan 0.000 0.462 657 H N 2.651 121.286 119.070 -0.724 0.000 2.731 657 H HA 0.553 5.109 4.556 0.000 0.000 0.368 657 H C -1.558 173.357 175.328 -0.689 0.000 1.168 657 H CA -0.592 55.105 56.048 -0.585 0.000 1.181 657 H CB 1.937 31.228 29.762 -0.785 0.000 1.743 657 H HN 0.571 nan 8.280 nan 0.000 0.547 658 Y N 1.263 121.616 120.300 0.088 0.000 2.331 658 Y HA 0.283 4.833 4.550 0.000 0.000 0.334 658 Y C -0.474 175.522 175.900 0.159 0.000 0.960 658 Y CA -0.745 57.444 58.100 0.149 0.000 1.130 658 Y CB 1.279 39.966 38.460 0.379 0.000 1.164 658 Y HN 0.241 nan 8.280 nan 0.000 0.458 659 L N 3.889 125.249 121.223 0.228 0.000 2.334 659 L HA 0.579 4.919 4.340 0.000 0.000 0.272 659 L C -1.067 175.843 176.870 0.066 0.000 1.020 659 L CA -0.884 54.030 54.840 0.124 0.000 0.812 659 L CB 1.665 43.772 42.059 0.081 0.000 1.264 659 L HN 0.522 nan 8.230 nan 0.000 0.439 660 L N 3.006 124.204 121.223 -0.042 0.000 2.372 660 L HA 0.547 4.887 4.340 0.000 0.000 0.274 660 L C -1.365 175.362 176.870 -0.239 0.000 0.988 660 L CA -0.151 54.625 54.840 -0.106 0.000 0.833 660 L CB 1.184 43.163 42.059 -0.133 0.000 1.236 660 L HN 0.358 nan 8.230 nan 0.000 0.410 661 L N 4.829 125.865 121.223 -0.311 0.000 2.264 661 L HA 0.565 4.906 4.340 0.000 0.000 0.289 661 L C 0.684 177.385 176.870 -0.282 0.000 1.044 661 L CA -0.507 53.987 54.840 -0.577 0.000 0.807 661 L CB 1.365 42.708 42.059 -1.193 0.000 1.192 661 L HN 0.714 nan 8.230 nan 0.000 0.425 662 T N -2.452 111.922 114.554 -0.301 0.000 2.884 662 T HA 0.178 4.528 4.350 0.000 0.000 0.277 662 T C 1.333 176.045 174.700 0.019 0.000 0.976 662 T CA -0.002 61.665 62.100 -0.720 0.000 0.956 662 T CB 1.280 69.534 68.868 -1.025 0.000 1.113 662 T HN 0.684 nan 8.240 nan 0.000 0.554 663 T N -0.931 113.714 114.554 0.151 0.000 2.929 663 T HA -0.015 4.335 4.350 0.000 0.000 0.271 663 T C 0.671 175.484 174.700 0.188 0.000 1.085 663 T CA 0.314 62.609 62.100 0.324 0.000 1.125 663 T CB -0.651 68.463 68.868 0.411 0.000 0.874 663 T HN 0.598 nan 8.240 nan 0.000 0.494 664 N N 1.291 120.066 118.700 0.125 0.000 2.489 664 N HA 0.410 5.150 4.740 0.000 0.000 0.284 664 N C 0.953 176.549 175.510 0.143 0.000 1.158 664 N CA -0.271 52.843 53.050 0.106 0.000 0.965 664 N CB 0.952 39.495 38.487 0.093 0.000 1.195 664 N HN 0.283 nan 8.380 nan 0.000 0.506 665 G N -0.199 108.656 108.800 0.092 0.000 3.229 665 G HA2 -0.061 3.899 3.960 0.000 0.000 0.214 665 G HA3 -0.061 3.899 3.960 0.000 0.000 0.214 665 G C 0.446 175.564 174.900 0.364 0.000 1.256 665 G CA 0.209 45.377 45.100 0.113 0.000 1.042 665 G HN 0.641 nan 8.290 nan 0.000 0.497 666 T N -2.519 112.226 114.554 0.319 0.000 2.907 666 T HA 0.656 5.006 4.350 0.000 0.000 0.284 666 T C -0.533 174.202 174.700 0.059 0.000 1.004 666 T CA -0.783 61.480 62.100 0.272 0.000 1.063 666 T CB 2.578 71.534 68.868 0.146 0.000 0.992 666 T HN -0.042 nan 8.240 nan 0.000 0.483 667 V N 3.951 123.684 119.914 -0.302 0.000 2.876 667 V HA 0.743 4.863 4.120 0.000 0.000 0.312 667 V C -0.218 175.659 176.094 -0.361 0.000 1.085 667 V CA -1.030 60.958 62.300 -0.520 0.000 0.945 667 V CB 1.776 33.016 31.823 -0.971 0.000 1.017 667 V HN 1.156 nan 8.190 nan 0.000 0.428 668 M N 1.321 120.797 119.600 -0.206 0.000 2.465 668 M HA 0.695 5.175 4.480 0.000 0.000 0.284 668 M C -1.056 175.227 176.300 -0.028 0.000 1.212 668 M CA -0.625 54.624 55.300 -0.086 0.000 0.910 668 M CB 2.509 35.101 32.600 -0.013 0.000 1.725 668 M HN 0.615 nan 8.290 nan 0.000 0.477 669 E N 1.870 122.071 120.200 0.003 0.000 2.277 669 E HA 0.708 5.058 4.350 0.000 0.000 0.274 669 E C -1.634 175.000 176.600 0.058 0.000 1.022 669 E CA -0.672 55.762 56.400 0.057 0.000 0.853 669 E CB 1.575 31.295 29.700 0.033 0.000 1.086 669 E HN 0.699 nan 8.360 nan 0.000 0.397 670 I N 1.983 122.633 120.570 0.133 0.000 2.530 670 I HA 0.534 4.704 4.170 0.000 0.000 0.297 670 I C -0.429 175.619 176.117 -0.115 0.000 1.011 670 I CA -0.696 60.619 61.300 0.026 0.000 1.107 670 I CB 2.010 40.066 38.000 0.093 0.000 1.285 670 I HN 0.609 nan 8.210 nan 0.000 0.436 671 A N 4.312 126.791 122.820 -0.568 0.000 3.411 671 A HA 0.701 5.022 4.320 0.000 0.000 0.238 671 A C -0.251 176.609 177.584 -1.206 0.000 1.140 671 A CA 0.102 51.516 52.037 -1.038 0.000 0.980 671 A CB 0.139 18.946 19.000 -0.323 0.000 1.371 671 A HN 1.051 nan 8.150 nan 0.000 0.700 672 G N 0.000 107.809 108.800 -1.652 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 44.669 45.100 -0.718 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925