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_M 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 0.000 176.642 176.870 -0.381 0.000 1.165 20 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 20 L CB 0.000 42.061 42.059 0.003 0.000 0.961 21 S N 2.124 117.273 115.700 -0.919 0.000 3.467 21 S HA -0.240 4.230 4.470 0.000 0.000 0.248 21 S C 0.250 174.133 174.600 -1.196 0.000 1.578 21 S CA 1.462 59.084 58.200 -0.963 0.000 3.513 21 S CB -1.338 61.596 63.200 -0.443 0.000 0.732 21 S HN 0.961 nan 8.310 nan 0.000 0.470 22 E N 0.370 120.167 120.200 -0.672 0.000 2.212 22 E HA 0.658 5.008 4.350 0.000 0.000 0.268 22 E C -1.624 174.865 176.600 -0.186 0.000 0.902 22 E CA -0.349 55.782 56.400 -0.449 0.000 0.779 22 E CB 2.028 31.583 29.700 -0.242 0.000 1.172 22 E HN 0.376 nan 8.360 nan 0.000 0.409 23 V N 4.340 124.237 119.914 -0.028 0.000 2.697 23 V HA 0.202 4.322 4.120 0.000 0.000 0.296 23 V C -0.872 175.257 176.094 0.057 0.000 1.140 23 V CA -0.955 61.407 62.300 0.104 0.000 0.921 23 V CB 1.641 33.650 31.823 0.310 0.000 1.036 23 V HN 0.662 nan 8.190 nan 0.000 0.438 24 K N 4.829 125.223 120.400 -0.012 0.000 2.156 24 K HA 0.960 5.280 4.320 0.000 0.000 0.250 24 K C -1.062 175.433 176.600 -0.176 0.000 0.955 24 K CA -0.869 55.368 56.287 -0.083 0.000 0.855 24 K CB 2.690 35.114 32.500 -0.126 0.000 1.101 24 K HN 0.521 nan 8.250 nan 0.000 0.434 25 L N -1.130 119.953 121.223 -0.233 0.000 2.388 25 L HA 0.558 4.898 4.340 0.000 0.000 0.264 25 L C -1.557 175.082 176.870 -0.386 0.000 0.998 25 L CA -0.723 53.977 54.840 -0.234 0.000 0.817 25 L CB 1.832 43.876 42.059 -0.026 0.000 1.338 25 L HN 0.692 nan 8.230 nan 0.000 0.414 26 H N 2.783 121.815 119.070 -0.064 0.000 2.511 26 H HA 0.677 5.233 4.556 0.000 0.000 0.328 26 H C -0.807 174.508 175.328 -0.022 0.000 1.044 26 H CA -0.567 55.387 56.048 -0.156 0.000 1.212 26 H CB 1.398 30.964 29.762 -0.326 0.000 1.428 26 H HN 0.549 nan 8.280 nan 0.000 0.483 27 L N 2.113 123.426 121.223 0.149 0.000 2.312 27 L HA 0.209 4.549 4.340 0.000 0.000 0.281 27 L C 0.128 177.080 176.870 0.137 0.000 1.070 27 L CA -0.374 54.556 54.840 0.151 0.000 0.805 27 L CB 1.073 43.253 42.059 0.203 0.000 1.174 27 L HN 0.704 nan 8.230 nan 0.000 0.434 28 D N 3.424 123.887 120.400 0.105 0.000 2.736 28 D HA 0.308 4.948 4.640 0.000 0.000 0.293 28 D C 0.206 176.558 176.300 0.087 0.000 1.241 28 D CA -0.419 53.637 54.000 0.092 0.000 0.965 28 D CB 0.111 40.950 40.800 0.064 0.000 0.992 28 D HN 0.214 nan 8.370 nan 0.000 0.510 29 I N 0.583 121.217 120.570 0.107 0.000 3.003 29 I HA -0.048 4.122 4.170 0.000 0.000 0.294 29 I C 1.207 177.377 176.117 0.089 0.000 1.237 29 I CA 0.062 61.418 61.300 0.094 0.000 1.417 29 I CB 0.441 38.505 38.000 0.107 0.000 1.340 29 I HN 0.324 nan 8.210 nan 0.000 0.594 30 E N 4.656 124.898 120.200 0.071 0.000 2.603 30 E HA 0.094 4.445 4.350 0.000 0.000 0.242 30 E C 0.741 177.394 176.600 0.089 0.000 1.083 30 E CA 0.860 57.298 56.400 0.063 0.000 0.950 30 E CB -0.143 29.586 29.700 0.048 0.000 0.952 30 E HN 0.859 nan 8.360 nan 0.000 0.498 31 G N 4.712 113.553 108.800 0.069 0.000 2.979 31 G HA2 -0.243 3.717 3.960 0.000 0.000 0.238 31 G HA3 -0.243 3.717 3.960 0.000 0.000 0.238 31 G C -0.599 174.316 174.900 0.025 0.000 1.805 31 G CA -0.067 45.066 45.100 0.055 0.000 1.389 31 G HN 0.719 nan 8.290 nan 0.000 0.517 32 H N 1.877 120.969 119.070 0.036 0.000 2.732 32 H HA 0.612 5.168 4.556 0.000 0.000 0.351 32 H C 0.845 176.213 175.328 0.067 0.000 1.090 32 H CA 0.771 56.844 56.048 0.042 0.000 1.431 32 H CB 1.275 31.058 29.762 0.034 0.000 1.447 32 H HN 0.840 nan 8.280 nan 0.000 0.582 33 A N 2.969 125.895 122.820 0.177 0.000 2.269 33 A HA 0.418 4.738 4.320 0.000 0.000 0.302 33 A C -0.088 177.662 177.584 0.276 0.000 1.266 33 A CA -0.614 51.548 52.037 0.208 0.000 0.894 33 A CB 0.236 19.372 19.000 0.227 0.000 1.147 33 A HN 0.647 nan 8.150 nan 0.000 0.537 34 S N 1.235 117.081 115.700 0.243 0.000 2.585 34 S HA 0.531 5.001 4.470 0.000 0.000 0.277 34 S C -0.770 173.937 174.600 0.178 0.000 1.241 34 S CA -0.271 58.019 58.200 0.151 0.000 1.041 34 S CB 0.465 63.749 63.200 0.140 0.000 0.987 34 S HN 0.714 nan 8.310 nan 0.000 0.512 35 H N 1.188 120.062 119.070 -0.326 0.000 2.860 35 H HA 0.436 4.992 4.556 0.000 0.000 0.312 35 H C -1.495 173.561 175.328 -0.452 0.000 0.995 35 H CA -0.312 55.593 56.048 -0.240 0.000 1.311 35 H CB 0.300 30.015 29.762 -0.077 0.000 1.478 35 H HN 0.485 nan 8.280 nan 0.000 0.508 36 Y N 0.938 121.228 120.300 -0.017 0.000 2.409 36 Y HA 0.433 4.984 4.550 0.000 0.000 0.343 36 Y C 0.285 176.142 175.900 -0.072 0.000 0.973 36 Y CA -1.028 57.058 58.100 -0.022 0.000 1.064 36 Y CB 1.964 40.414 38.460 -0.017 0.000 1.207 36 Y HN 0.496 nan 8.280 nan 0.000 0.452 37 T N 1.315 115.933 114.554 0.107 0.000 2.791 37 T HA 0.661 5.011 4.350 0.000 0.000 0.288 37 T C -0.627 174.108 174.700 0.058 0.000 0.999 37 T CA -0.594 61.529 62.100 0.038 0.000 0.952 37 T CB 0.179 69.055 68.868 0.013 0.000 0.938 37 T HN 0.502 nan 8.240 nan 0.000 0.444 38 I N 5.257 125.864 120.570 0.062 0.000 2.310 38 I HA 0.297 4.467 4.170 0.000 0.000 0.287 38 I C -2.416 173.755 176.117 0.090 0.000 1.073 38 I CA -2.517 58.837 61.300 0.091 0.000 1.216 38 I CB 1.395 39.469 38.000 0.123 0.000 1.415 38 I HN 0.381 nan 8.210 nan 0.000 0.480 39 P HA 0.046 nan 4.420 nan 0.000 0.256 39 P C 0.658 177.908 177.300 -0.082 0.000 1.689 39 P CA -0.428 62.595 63.100 -0.129 0.000 1.124 39 P CB -0.069 31.564 31.700 -0.112 0.000 1.766 40 W N 1.621 122.899 121.300 -0.036 0.000 2.721 40 W HA -0.066 4.594 4.660 0.000 0.000 0.245 40 W C 1.016 177.520 176.519 -0.026 0.000 1.276 40 W CA 0.740 58.066 57.345 -0.032 0.000 1.342 40 W CB -2.060 27.374 29.460 -0.044 0.000 1.135 40 W HN 0.177 nan 8.180 nan 0.000 0.654 41 T N 1.118 115.481 114.554 -0.318 0.000 2.737 41 T HA -0.266 4.084 4.350 0.000 0.000 0.265 41 T C 1.762 176.407 174.700 -0.091 0.000 1.038 41 T CA 2.228 64.168 62.100 -0.268 0.000 1.144 41 T CB -0.196 68.437 68.868 -0.391 0.000 0.866 41 T HN 0.307 nan 8.240 nan 0.000 0.434 42 E N -0.263 119.891 120.200 -0.077 0.000 2.158 42 E HA -0.022 4.328 4.350 0.000 0.000 0.191 42 E C 2.360 178.965 176.600 0.009 0.000 0.982 42 E CA 0.516 56.897 56.400 -0.032 0.000 0.823 42 E CB -0.183 29.496 29.700 -0.034 0.000 0.766 42 E HN 0.537 nan 8.360 nan 0.000 0.468 43 L N 0.402 121.648 121.223 0.039 0.000 2.046 43 L HA -0.184 4.156 4.340 0.000 0.000 0.208 43 L C 2.755 179.668 176.870 0.070 0.000 1.077 43 L CA 1.149 56.027 54.840 0.064 0.000 0.747 43 L CB -0.331 41.789 42.059 0.102 0.000 0.896 43 L HN 0.287 nan 8.230 nan 0.000 0.432 44 M N -0.885 118.772 119.600 0.095 0.000 2.346 44 M HA -0.208 4.272 4.480 0.000 0.000 0.263 44 M C 2.339 178.673 176.300 0.057 0.000 1.064 44 M CA 1.643 56.998 55.300 0.091 0.000 1.083 44 M CB -0.491 32.185 32.600 0.126 0.000 1.399 44 M HN 0.346 nan 8.290 nan 0.000 0.435 45 A N 0.349 123.192 122.820 0.039 0.000 1.874 45 A HA -0.089 4.231 4.320 0.000 0.000 0.214 45 A C 2.066 179.665 177.584 0.026 0.000 1.189 45 A CA 1.227 53.280 52.037 0.027 0.000 0.615 45 A CB -0.299 18.709 19.000 0.013 0.000 0.830 45 A HN 0.366 nan 8.150 nan 0.000 0.443 46 K N -0.718 119.697 120.400 0.026 0.000 2.486 46 K HA 0.158 4.478 4.320 0.000 0.000 0.194 46 K C -0.608 176.009 176.600 0.029 0.000 1.033 46 K CA 0.205 56.507 56.287 0.024 0.000 1.004 46 K CB 0.169 32.681 32.500 0.020 0.000 0.798 46 K HN 0.323 nan 8.250 nan 0.000 0.495 47 V N 1.561 121.497 119.914 0.036 0.000 2.680 47 V HA 0.148 4.268 4.120 0.000 0.000 0.309 47 V C -1.682 174.436 176.094 0.041 0.000 1.052 47 V CA -1.427 60.895 62.300 0.038 0.000 0.908 47 V CB 1.776 33.623 31.823 0.040 0.000 1.001 47 V HN -0.018 nan 8.190 nan 0.000 0.431 48 P HA 0.075 nan 4.420 nan 0.000 0.210 48 P C 1.360 178.683 177.300 0.038 0.000 1.173 48 P CA 1.210 64.334 63.100 0.040 0.000 0.898 48 P CB 0.400 32.127 31.700 0.044 0.000 0.758 49 G N 0.260 109.082 108.800 0.036 0.000 2.776 49 G HA2 -0.037 3.923 3.960 0.000 0.000 0.209 49 G HA3 -0.037 3.923 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 -0.255 44.863 45.100 0.030 0.000 0.791 49 G HN 0.225 nan 8.290 nan 0.000 0.530 50 L N 2.811 124.053 121.223 0.032 0.000 2.433 50 L HA 0.265 4.605 4.340 0.000 0.000 0.284 50 L C 0.076 176.965 176.870 0.031 0.000 1.120 50 L CA -0.432 54.424 54.840 0.026 0.000 0.879 50 L CB 0.494 42.575 42.059 0.035 0.000 1.232 50 L HN 0.132 nan 8.230 nan 0.000 0.454 51 S N 4.293 120.002 115.700 0.015 0.000 2.328 51 S HA 0.342 4.813 4.470 0.000 0.000 0.204 51 S C -1.440 173.144 174.600 -0.026 0.000 1.475 51 S CA -1.192 57.017 58.200 0.013 0.000 1.148 51 S CB 0.845 64.059 63.200 0.024 0.000 1.077 51 S HN 0.492 nan 8.310 nan 0.000 0.479 52 P HA -0.217 nan 4.420 nan 0.000 0.216 52 P C 1.290 178.487 177.300 -0.173 0.000 1.154 52 P CA 1.334 64.315 63.100 -0.198 0.000 0.865 52 P CB 0.230 31.670 31.700 -0.433 0.000 0.789 53 E N -0.023 120.081 120.200 -0.160 0.000 2.097 53 E HA -0.177 4.173 4.350 0.000 0.000 0.196 53 E C 2.185 178.814 176.600 0.047 0.000 1.000 53 E CA 1.683 58.041 56.400 -0.071 0.000 0.804 53 E CB -0.831 28.851 29.700 -0.030 0.000 0.740 53 E HN 0.255 nan 8.360 nan 0.000 0.454 54 A N 0.834 123.679 122.820 0.041 0.000 1.855 54 A HA -0.109 4.211 4.320 0.000 0.000 0.215 54 A C 2.465 180.110 177.584 0.102 0.000 1.191 54 A CA 1.135 53.215 52.037 0.071 0.000 0.613 54 A CB -0.818 18.217 19.000 0.058 0.000 0.829 54 A HN 0.216 nan 8.150 nan 0.000 0.442 55 L N -1.413 119.858 121.223 0.079 0.000 2.081 55 L HA -0.238 4.102 4.340 0.000 0.000 0.212 55 L C 2.628 179.593 176.870 0.159 0.000 1.080 55 L CA 1.590 56.483 54.840 0.088 0.000 0.754 55 L CB -0.516 41.486 42.059 -0.096 0.000 0.893 55 L HN 0.801 nan 8.230 nan 0.000 0.433 56 W N 1.273 122.541 121.300 -0.054 0.000 2.374 56 W HA -0.234 4.426 4.660 0.000 0.000 0.288 56 W C 2.532 179.060 176.519 0.014 0.000 1.218 56 W CA 1.411 58.729 57.345 -0.046 0.000 1.245 56 W CB 0.009 29.387 29.460 -0.136 0.000 1.126 56 W HN 0.109 nan 8.180 nan 0.000 0.545 57 R N 1.011 121.556 120.500 0.076 0.000 2.100 57 R HA -0.058 4.282 4.340 0.000 0.000 0.220 57 R C 2.140 178.432 176.300 -0.013 0.000 1.091 57 R CA 1.750 57.848 56.100 -0.003 0.000 0.986 57 R CB -0.834 29.512 30.300 0.077 0.000 0.888 57 R HN 0.146 nan 8.270 nan 0.000 0.444 58 E N 0.326 120.567 120.200 0.069 0.000 2.070 58 E HA -0.137 4.213 4.350 0.000 0.000 0.197 58 E C 0.033 176.637 176.600 0.006 0.000 1.004 58 E CA 1.245 57.696 56.400 0.085 0.000 0.805 58 E CB -0.226 29.608 29.700 0.223 0.000 0.744 58 E HN 0.338 nan 8.360 nan 0.000 0.451 59 A N 2.268 125.101 122.820 0.021 0.000 2.415 59 A HA 0.076 4.396 4.320 0.000 0.000 0.309 59 A C -0.076 177.381 177.584 -0.212 0.000 1.356 59 A CA -0.371 51.610 52.037 -0.093 0.000 0.998 59 A CB -0.019 18.993 19.000 0.020 0.000 1.145 59 A HN 0.041 nan 8.150 nan 0.000 0.545 60 N N 2.995 121.599 118.700 -0.161 0.000 2.360 60 N HA -0.026 4.715 4.740 0.000 0.000 0.292 60 N C 1.499 176.874 175.510 -0.225 0.000 1.330 60 N CA 0.112 53.063 53.050 -0.165 0.000 1.009 60 N CB 0.389 38.814 38.487 -0.104 0.000 1.419 60 N HN 0.460 nan 8.380 nan 0.000 0.487 61 V N 1.811 121.513 119.914 -0.354 0.000 2.255 61 V HA -0.246 3.875 4.120 0.000 0.000 0.247 61 V C 2.303 178.282 176.094 -0.192 0.000 1.051 61 V CA 2.353 64.414 62.300 -0.399 0.000 1.018 61 V CB -1.150 30.296 31.823 -0.629 0.000 0.641 61 V HN 0.736 nan 8.190 nan 0.000 0.445 62 T N -1.062 113.415 114.554 -0.128 0.000 3.194 62 T HA -0.015 4.335 4.350 0.000 0.000 0.251 62 T C 0.758 175.419 174.700 -0.065 0.000 1.132 62 T CA 0.163 62.225 62.100 -0.064 0.000 1.028 62 T CB -0.757 68.095 68.868 -0.027 0.000 0.976 62 T HN 0.631 nan 8.240 nan 0.000 0.535 63 E N 3.607 123.753 120.200 -0.089 0.000 2.311 63 E HA -0.033 4.317 4.350 0.000 0.000 0.247 63 E C 0.163 176.720 176.600 -0.072 0.000 1.215 63 E CA -0.455 55.897 56.400 -0.081 0.000 0.957 63 E CB -0.142 29.498 29.700 -0.101 0.000 1.020 63 E HN 0.604 nan 8.360 nan 0.000 0.461 64 D N 4.412 124.779 120.400 -0.054 0.000 2.667 64 D HA -0.215 4.425 4.640 0.000 0.000 0.226 64 D C 1.205 177.471 176.300 -0.058 0.000 1.137 64 D CA -0.234 53.738 54.000 -0.047 0.000 0.855 64 D CB 0.823 41.602 40.800 -0.036 0.000 1.194 64 D HN 0.353 nan 8.370 nan 0.000 0.492 65 L N 3.078 124.269 121.223 -0.054 0.000 1.997 65 L HA -0.294 4.046 4.340 0.000 0.000 0.216 65 L C 2.644 179.477 176.870 -0.063 0.000 1.074 65 L CA 2.686 57.489 54.840 -0.062 0.000 0.763 65 L CB -1.725 40.303 42.059 -0.051 0.000 0.890 65 L HN 0.758 nan 8.230 nan 0.000 0.434 66 A N -1.153 121.637 122.820 -0.050 0.000 1.873 66 A HA -0.254 4.066 4.320 0.000 0.000 0.218 66 A C 2.405 179.958 177.584 -0.052 0.000 1.193 66 A CA 2.445 54.455 52.037 -0.045 0.000 0.629 66 A CB -0.900 18.079 19.000 -0.035 0.000 0.826 66 A HN 0.543 nan 8.150 nan 0.000 0.447 67 S N -0.865 114.802 115.700 -0.057 0.000 2.423 67 S HA -0.138 4.332 4.470 0.000 0.000 0.231 67 S C 1.883 176.429 174.600 -0.090 0.000 1.014 67 S CA 1.323 59.484 58.200 -0.066 0.000 0.965 67 S CB -0.399 62.763 63.200 -0.063 0.000 0.785 67 S HN 0.635 nan 8.310 nan 0.000 0.495 68 M N 1.402 120.942 119.600 -0.099 0.000 2.106 68 M HA -0.136 4.344 4.480 0.000 0.000 0.259 68 M C 1.365 177.592 176.300 -0.122 0.000 1.068 68 M CA 1.447 56.669 55.300 -0.132 0.000 1.100 68 M CB -0.280 32.233 32.600 -0.145 0.000 1.351 68 M HN 0.225 nan 8.290 nan 0.000 0.404 69 L N 0.706 121.882 121.223 -0.079 0.000 2.042 69 L HA -0.226 4.114 4.340 0.000 0.000 0.210 69 L C 1.880 178.757 176.870 0.011 0.000 1.076 69 L CA 1.948 56.781 54.840 -0.013 0.000 0.749 69 L CB -2.352 39.704 42.059 -0.006 0.000 0.893 69 L HN 0.413 nan 8.230 nan 0.000 0.432 70 N N 0.273 118.951 118.700 -0.038 0.000 2.120 70 N HA -0.196 4.544 4.740 0.000 0.000 0.188 70 N C 1.855 177.322 175.510 -0.072 0.000 1.024 70 N CA 0.858 53.881 53.050 -0.045 0.000 0.852 70 N CB -0.402 38.049 38.487 -0.059 0.000 1.003 70 N HN 0.238 nan 8.380 nan 0.000 0.424 71 R N -0.867 119.546 120.500 -0.144 0.000 2.357 71 R HA -0.087 4.253 4.340 0.000 0.000 0.202 71 R C 1.161 177.473 176.300 0.020 0.000 1.047 71 R CA 0.729 56.686 56.100 -0.238 0.000 1.034 71 R CB -0.067 30.009 30.300 -0.373 0.000 0.875 71 R HN 0.500 nan 8.270 nan 0.000 0.473 72 Y N -0.125 120.094 120.300 -0.134 0.000 2.638 72 Y HA 0.131 4.681 4.550 0.000 0.000 0.275 72 Y C 1.205 177.127 175.900 0.037 0.000 1.122 72 Y CA 0.046 58.052 58.100 -0.156 0.000 1.266 72 Y CB 0.413 38.590 38.460 -0.473 0.000 1.317 72 Y HN -0.058 nan 8.280 nan 0.000 0.501 73 K N 0.380 120.674 120.400 -0.178 0.000 2.505 73 K HA 0.059 4.379 4.320 0.000 0.000 0.192 73 K C 1.177 177.830 176.600 0.088 0.000 1.025 73 K CA 0.335 56.537 56.287 -0.141 0.000 1.086 73 K CB 0.349 32.824 32.500 -0.043 0.000 0.840 73 K HN 0.324 nan 8.250 nan 0.000 0.514 74 L N 1.024 122.294 121.223 0.077 0.000 2.316 74 L HA 0.236 4.576 4.340 0.000 0.000 0.207 74 L C 0.584 177.533 176.870 0.131 0.000 1.070 74 L CA 0.474 55.408 54.840 0.156 0.000 0.820 74 L CB 0.015 42.128 42.059 0.091 0.000 0.992 74 L HN 0.161 nan 8.230 nan 0.000 0.466 75 I N -0.105 120.469 120.570 0.006 0.000 2.823 75 I HA -0.046 4.124 4.170 0.000 0.000 0.290 75 I C 0.344 176.082 176.117 -0.631 0.000 1.091 75 I CA -0.482 60.724 61.300 -0.157 0.000 1.365 75 I CB -0.192 37.773 38.000 -0.059 0.000 1.427 75 I HN 0.026 nan 8.210 nan 0.000 0.583 76 Y N 5.396 125.202 120.300 -0.823 0.000 2.425 76 Y HA 0.108 4.658 4.550 0.000 0.000 0.331 76 Y C 0.049 175.546 175.900 -0.672 0.000 1.157 76 Y CA -0.285 57.113 58.100 -1.170 0.000 1.372 76 Y CB 0.348 38.383 38.460 -0.708 0.000 1.253 76 Y HN 0.315 nan 8.280 nan 0.000 0.536 77 K N 5.059 124.917 120.400 -0.904 0.000 2.316 77 K HA 0.126 4.446 4.320 0.000 0.000 0.267 77 K C -0.226 175.858 176.600 -0.860 0.000 1.025 77 K CA -0.543 55.395 56.287 -0.582 0.000 0.896 77 K CB 1.349 33.767 32.500 -0.138 0.000 1.124 77 K HN 0.794 nan 8.250 nan 0.000 0.451 78 T N 2.070 116.189 114.554 -0.724 0.000 2.871 78 T HA -0.003 4.347 4.350 0.000 0.000 0.296 78 T C 1.204 175.730 174.700 -0.290 0.000 0.998 78 T CA 0.327 62.094 62.100 -0.554 0.000 1.162 78 T CB 0.282 68.977 68.868 -0.289 0.000 0.947 78 T HN 0.540 nan 8.240 nan 0.000 0.536 79 S N 3.968 119.550 115.700 -0.197 0.000 2.534 79 S HA 0.053 4.523 4.470 0.000 0.000 0.217 79 S C 1.204 175.775 174.600 -0.049 0.000 1.097 79 S CA 1.010 59.170 58.200 -0.066 0.000 1.288 79 S CB -0.618 62.587 63.200 0.008 0.000 1.109 79 S HN 0.986 nan 8.310 nan 0.000 0.398 80 G N 1.815 110.600 108.800 -0.026 0.000 2.716 80 G HA2 0.455 4.415 3.960 0.000 0.000 0.333 80 G HA3 0.455 4.415 3.960 0.000 0.000 0.333 80 G C -0.651 174.235 174.900 -0.023 0.000 1.168 80 G CA -0.533 44.557 45.100 -0.017 0.000 1.064 80 G HN 0.279 nan 8.290 nan 0.000 0.479 81 T N 3.314 117.847 114.554 -0.034 0.000 2.695 81 T HA 0.119 4.470 4.350 0.000 0.000 0.264 81 T C 0.656 175.341 174.700 -0.025 0.000 0.993 81 T CA 0.426 62.503 62.100 -0.038 0.000 1.248 81 T CB -0.509 68.340 68.868 -0.032 0.000 0.946 81 T HN 0.535 nan 8.240 nan 0.000 0.526 82 L N 2.014 123.220 121.223 -0.028 0.000 2.325 82 L HA 0.905 5.245 4.340 0.000 0.000 0.279 82 L C 0.349 177.211 176.870 -0.014 0.000 1.054 82 L CA -0.557 54.277 54.840 -0.009 0.000 0.804 82 L CB 1.108 43.170 42.059 0.005 0.000 1.200 82 L HN 0.396 nan 8.230 nan 0.000 0.436 83 G N 3.505 112.316 108.800 0.019 0.000 2.420 83 G HA2 0.768 4.728 3.960 0.000 0.000 0.331 83 G HA3 0.768 4.728 3.960 0.000 0.000 0.331 83 G C -0.941 174.010 174.900 0.085 0.000 1.168 83 G CA -0.770 44.359 45.100 0.048 0.000 0.936 83 G HN 0.696 nan 8.290 nan 0.000 0.479 84 I N 0.488 121.144 120.570 0.143 0.000 2.730 84 I HA 0.452 4.622 4.170 0.000 0.000 0.298 84 I C 0.423 176.630 176.117 0.150 0.000 1.089 84 I CA -1.226 60.163 61.300 0.149 0.000 1.041 84 I CB 2.499 40.615 38.000 0.193 0.000 1.235 84 I HN 0.555 nan 8.210 nan 0.000 0.423 85 A N 7.496 130.381 122.820 0.108 0.000 2.797 85 A HA 0.520 4.840 4.320 0.000 0.000 0.296 85 A C -0.420 177.219 177.584 0.092 0.000 1.580 85 A CA 0.115 52.207 52.037 0.092 0.000 1.277 85 A CB -0.763 18.277 19.000 0.067 0.000 1.101 85 A HN 0.560 nan 8.150 nan 0.000 0.562 86 L N 2.116 123.407 121.223 0.114 0.000 2.333 86 L HA 0.699 5.039 4.340 0.000 0.000 0.280 86 L C 0.281 177.205 176.870 0.091 0.000 1.004 86 L CA -0.477 54.415 54.840 0.087 0.000 0.820 86 L CB 1.923 44.028 42.059 0.076 0.000 1.247 86 L HN 0.584 nan 8.230 nan 0.000 0.416 87 A N 2.528 125.386 122.820 0.063 0.000 2.330 87 A HA 0.456 4.776 4.320 0.000 0.000 0.327 87 A C -0.360 177.262 177.584 0.062 0.000 1.155 87 A CA -0.544 51.535 52.037 0.069 0.000 0.803 87 A CB 1.099 20.128 19.000 0.050 0.000 1.208 87 A HN 0.767 nan 8.150 nan 0.000 0.477 88 E N 2.017 122.274 120.200 0.096 0.000 2.415 88 E HA 0.251 4.601 4.350 0.000 0.000 0.263 88 E C -1.991 174.639 176.600 0.049 0.000 0.995 88 E CA -1.025 55.431 56.400 0.094 0.000 0.915 88 E CB 0.309 30.102 29.700 0.154 0.000 0.951 88 E HN 0.438 nan 8.360 nan 0.000 0.449 89 P HA 0.055 nan 4.420 nan 0.000 0.276 89 P C -1.200 176.112 177.300 0.020 0.000 1.252 89 P CA -0.559 62.557 63.100 0.027 0.000 0.802 89 P CB 0.761 32.478 31.700 0.029 0.000 1.035 90 V N 1.958 121.878 119.914 0.012 0.000 2.432 90 V HA 0.109 4.230 4.120 0.000 0.000 0.271 90 V C 0.036 176.111 176.094 -0.032 0.000 1.046 90 V CA 0.464 62.751 62.300 -0.021 0.000 0.945 90 V CB 0.457 32.267 31.823 -0.022 0.000 0.992 90 V HN 0.451 nan 8.190 nan 0.000 0.471 91 D N 4.608 124.931 120.400 -0.129 0.000 2.685 91 D HA 0.285 4.925 4.640 0.000 0.000 0.254 91 D C 0.334 176.179 176.300 -0.758 0.000 1.414 91 D CA 0.323 54.145 54.000 -0.297 0.000 1.145 91 D CB 0.038 40.682 40.800 -0.260 0.000 0.941 91 D HN 0.539 nan 8.370 nan 0.000 0.250 92 I N 3.613 123.520 120.570 -1.105 0.000 2.906 92 I HA -0.000 4.170 4.170 0.000 0.000 0.301 92 I C -1.748 174.074 176.117 -0.491 0.000 1.221 92 I CA -0.446 60.197 61.300 -1.095 0.000 1.435 92 I CB -0.627 36.903 38.000 -0.783 0.000 1.345 92 I HN 0.066 nan 8.210 nan 0.000 0.558 93 P HA 0.310 nan 4.420 nan 0.000 0.281 93 P C -0.889 176.341 177.300 -0.115 0.000 1.249 93 P CA -0.659 62.360 63.100 -0.136 0.000 0.810 93 P CB 1.053 32.732 31.700 -0.035 0.000 1.008 94 A N 3.031 125.803 122.820 -0.081 0.000 2.491 94 A HA 0.133 4.453 4.320 0.000 0.000 0.261 94 A C 0.618 178.174 177.584 -0.046 0.000 1.101 94 A CA -0.396 51.602 52.037 -0.065 0.000 0.772 94 A CB -0.499 18.471 19.000 -0.051 0.000 1.043 94 A HN 0.544 nan 8.150 nan 0.000 0.501 95 V N 4.772 124.659 119.914 -0.044 0.000 2.886 95 V HA -0.088 4.032 4.120 0.000 0.000 0.294 95 V C 1.102 177.183 176.094 -0.021 0.000 1.219 95 V CA 1.306 63.590 62.300 -0.027 0.000 1.334 95 V CB -0.753 31.055 31.823 -0.025 0.000 0.828 95 V HN 1.098 nan 8.190 nan 0.000 0.480 96 S N 4.490 120.181 115.700 -0.015 0.000 2.647 96 S HA 0.088 4.558 4.470 0.000 0.000 0.251 96 S C 0.691 175.282 174.600 -0.016 0.000 1.320 96 S CA 0.314 58.504 58.200 -0.016 0.000 0.968 96 S CB 0.353 63.543 63.200 -0.017 0.000 1.005 96 S HN 1.025 nan 8.310 nan 0.000 0.576 97 E N 0.971 121.161 120.200 -0.016 0.000 2.306 97 E HA 0.074 4.424 4.350 0.000 0.000 0.277 97 E C 2.046 178.638 176.600 -0.013 0.000 0.826 97 E CA 1.314 57.706 56.400 -0.015 0.000 1.583 97 E CB -1.175 28.517 29.700 -0.015 0.000 1.089 97 E HN 0.636 nan 8.360 nan 0.000 0.580 98 G N 0.032 108.824 108.800 -0.012 0.000 2.564 98 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 98 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 98 G C 0.141 175.036 174.900 -0.009 0.000 1.124 98 G CA 0.885 45.978 45.100 -0.011 0.000 0.764 98 G HN 0.402 nan 8.290 nan 0.000 0.550 99 S N 1.168 116.863 115.700 -0.008 0.000 3.361 99 S HA 0.063 4.533 4.470 0.000 0.000 0.396 99 S C 0.696 175.294 174.600 -0.004 0.000 1.165 99 S CA 0.004 58.202 58.200 -0.004 0.000 1.192 99 S CB -0.554 62.645 63.200 -0.002 0.000 0.843 99 S HN 0.447 nan 8.310 nan 0.000 0.528 100 M N 1.830 121.428 119.600 -0.003 0.000 2.266 100 M HA 0.203 4.683 4.480 0.000 0.000 0.340 100 M C -0.078 176.219 176.300 -0.004 0.000 1.486 100 M CA -0.321 54.975 55.300 -0.007 0.000 1.209 100 M CB -0.440 32.153 32.600 -0.011 0.000 1.714 100 M HN 0.527 nan 8.290 nan 0.000 0.459 101 Q N 2.078 121.874 119.800 -0.006 0.000 2.286 101 Q HA 0.267 4.607 4.340 0.000 0.000 0.290 101 Q C -0.463 175.534 176.000 -0.005 0.000 1.049 101 Q CA -0.084 55.716 55.803 -0.005 0.000 0.923 101 Q CB 1.166 29.899 28.738 -0.008 0.000 1.183 101 Q HN 0.691 nan 8.270 nan 0.000 0.383 102 V N 2.294 122.206 119.914 -0.003 0.000 2.540 102 V HA 0.184 4.304 4.120 0.000 0.000 0.302 102 V C -1.082 175.008 176.094 -0.008 0.000 1.035 102 V CA -0.889 61.410 62.300 -0.003 0.000 0.873 102 V CB 2.053 33.875 31.823 -0.001 0.000 0.992 102 V HN 0.897 nan 8.190 nan 0.000 0.428 103 D N 5.525 125.925 120.400 0.000 0.000 2.358 103 D HA 0.403 5.043 4.640 0.000 0.000 0.258 103 D C 1.105 177.386 176.300 -0.032 0.000 1.223 103 D CA 0.593 54.588 54.000 -0.008 0.000 0.886 103 D CB 1.806 42.612 40.800 0.010 0.000 1.120 103 D HN 0.744 nan 8.370 nan 0.000 0.482 104 A N 3.597 126.380 122.820 -0.063 0.000 1.948 104 A HA -0.218 4.102 4.320 0.000 0.000 0.220 104 A C 2.191 179.672 177.584 -0.171 0.000 1.177 104 A CA 1.830 53.792 52.037 -0.125 0.000 0.636 104 A CB -0.991 17.924 19.000 -0.141 0.000 0.815 104 A HN 0.629 nan 8.150 nan 0.000 0.449 105 S N -0.241 115.390 115.700 -0.115 0.000 2.523 105 S HA -0.149 4.322 4.470 0.000 0.000 0.226 105 S C 0.661 175.237 174.600 -0.040 0.000 1.062 105 S CA 1.280 59.428 58.200 -0.086 0.000 1.207 105 S CB -0.340 62.850 63.200 -0.017 0.000 1.151 105 S HN 0.476 nan 8.310 nan 0.000 0.408 106 K N 2.208 122.608 120.400 0.001 0.000 2.234 106 K HA 0.362 4.682 4.320 0.000 0.000 0.277 106 K C -0.731 175.883 176.600 0.023 0.000 1.038 106 K CA -0.381 55.911 56.287 0.008 0.000 0.888 106 K CB 1.243 33.726 32.500 -0.029 0.000 1.091 106 K HN 0.391 nan 8.250 nan 0.000 0.467 107 V N 0.312 120.240 119.914 0.023 0.000 2.313 107 V HA 0.280 4.400 4.120 0.000 0.000 0.278 107 V C -0.118 176.016 176.094 0.067 0.000 1.017 107 V CA -1.114 61.225 62.300 0.064 0.000 0.823 107 V CB 0.203 32.045 31.823 0.031 0.000 1.010 107 V HN 0.601 nan 8.190 nan 0.000 0.443 108 H N 7.641 126.713 119.070 0.003 0.000 3.140 108 H HA 0.119 4.675 4.556 0.000 0.000 0.316 108 H C -1.190 174.140 175.328 0.003 0.000 0.986 108 H CA -0.383 55.667 56.048 0.004 0.000 1.397 108 H CB 0.688 30.451 29.762 0.001 0.000 1.377 108 H HN 0.530 nan 8.280 nan 0.000 0.585 109 P HA -0.102 nan 4.420 nan 0.000 0.227 109 P C 0.628 177.960 177.300 0.053 0.000 1.145 109 P CA 0.880 64.006 63.100 0.044 0.000 0.769 109 P CB 0.243 31.954 31.700 0.018 0.000 0.769 110 G N 0.051 108.902 108.800 0.085 0.000 2.451 110 G HA2 0.394 4.354 3.960 0.000 0.000 0.303 110 G HA3 0.394 4.354 3.960 0.000 0.000 0.303 110 G C -0.117 174.808 174.900 0.042 0.000 1.166 110 G CA -0.470 44.663 45.100 0.055 0.000 0.884 110 G HN -0.084 nan 8.290 nan 0.000 0.514 111 V N 0.874 120.802 119.914 0.024 0.000 3.287 111 V HA 0.003 4.123 4.120 0.000 0.000 0.306 111 V C 1.233 177.333 176.094 0.011 0.000 1.103 111 V CA 0.191 62.501 62.300 0.017 0.000 1.159 111 V CB 1.242 33.072 31.823 0.012 0.000 1.036 111 V HN 0.649 nan 8.190 nan 0.000 0.487 112 I N 0.348 120.924 120.570 0.010 0.000 4.139 112 I HA 0.199 4.369 4.170 0.000 0.000 0.320 112 I C 0.801 176.919 176.117 0.003 0.000 1.290 112 I CA 1.351 62.652 61.300 0.002 0.000 1.253 112 I CB 0.377 38.381 38.000 0.007 0.000 1.122 112 I HN 1.023 nan 8.210 nan 0.000 0.421 113 S N -2.444 113.262 115.700 0.010 0.000 2.859 113 S HA 0.445 4.915 4.470 0.000 0.000 0.286 113 S C 0.212 174.824 174.600 0.019 0.000 1.230 113 S CA -0.439 57.768 58.200 0.012 0.000 1.340 113 S CB -0.376 62.831 63.200 0.012 0.000 1.292 113 S HN 0.256 nan 8.310 nan 0.000 0.411 114 G N -0.024 108.790 108.800 0.023 0.000 2.773 114 G HA2 0.639 4.599 3.960 0.000 0.000 0.186 114 G HA3 0.639 4.599 3.960 0.000 0.000 0.186 114 G C 0.494 175.422 174.900 0.048 0.000 1.411 114 G CA -0.071 45.047 45.100 0.030 0.000 1.054 114 G HN 0.986 nan 8.290 nan 0.000 0.579 115 L N -1.292 119.966 121.223 0.058 0.000 2.349 115 L HA 0.235 4.576 4.340 0.000 0.000 0.200 115 L C 2.225 179.147 176.870 0.086 0.000 1.064 115 L CA 0.307 55.207 54.840 0.100 0.000 0.821 115 L CB -0.036 42.087 42.059 0.107 0.000 1.027 115 L HN 0.431 nan 8.230 nan 0.000 0.476 116 N N 0.420 119.146 118.700 0.043 0.000 2.585 116 N HA -0.083 4.657 4.740 0.000 0.000 0.188 116 N C 0.096 175.599 175.510 -0.011 0.000 1.102 116 N CA 0.680 53.732 53.050 0.003 0.000 0.920 116 N CB -0.203 38.285 38.487 0.002 0.000 0.963 116 N HN 0.331 nan 8.380 nan 0.000 0.447 117 S N 0.813 116.519 115.700 0.010 0.000 2.505 117 S HA 0.314 4.785 4.470 0.000 0.000 0.276 117 S C -2.421 172.178 174.600 -0.000 0.000 1.274 117 S CA -1.571 56.632 58.200 0.004 0.000 1.053 117 S CB 0.915 64.123 63.200 0.015 0.000 0.919 117 S HN -0.023 nan 8.310 nan 0.000 0.490 118 P HA 0.468 nan 4.420 nan 0.000 0.269 118 P C -0.662 176.642 177.300 0.006 0.000 1.209 118 P CA -0.043 63.047 63.100 -0.017 0.000 0.776 118 P CB 0.503 32.191 31.700 -0.021 0.000 0.876 119 A N 1.454 124.285 122.820 0.019 0.000 2.612 119 A HA 0.739 5.059 4.320 0.000 0.000 0.293 119 A C -1.026 176.584 177.584 0.042 0.000 1.075 119 A CA -0.350 51.707 52.037 0.032 0.000 0.680 119 A CB 0.900 19.931 19.000 0.050 0.000 1.279 119 A HN 0.776 nan 8.150 nan 0.000 0.411 120 c N -0.315 118.305 118.600 0.033 0.000 3.285 120 c HA 0.876 5.446 4.570 0.000 0.000 0.325 120 c C -0.830 173.273 174.090 0.022 0.000 1.304 120 c CA -0.779 55.572 56.329 0.037 0.000 1.319 120 c CB 0.501 43.025 42.510 0.022 0.000 1.640 120 c HN 0.994 nan 8.230 nan 0.000 0.477 121 M N 2.143 121.757 119.600 0.023 0.000 2.508 121 M HA 0.516 4.996 4.480 0.000 0.000 0.327 121 M C -0.596 175.705 176.300 0.001 0.000 1.160 121 M CA -0.578 54.723 55.300 0.003 0.000 0.980 121 M CB 1.772 34.364 32.600 -0.013 0.000 1.693 121 M HN 0.664 nan 8.290 nan 0.000 0.452 122 L N 1.530 122.747 121.223 -0.009 0.000 2.410 122 L HA 0.123 4.463 4.340 0.000 0.000 0.273 122 L C 1.153 178.020 176.870 -0.006 0.000 1.152 122 L CA -0.148 54.687 54.840 -0.009 0.000 0.855 122 L CB 0.894 42.946 42.059 -0.012 0.000 1.129 122 L HN 0.865 nan 8.230 nan 0.000 0.463 123 S N 2.208 117.906 115.700 -0.004 0.000 2.355 123 S HA -0.181 4.289 4.470 0.000 0.000 0.222 123 S C 2.085 176.685 174.600 -0.000 0.000 1.031 123 S CA 1.138 59.341 58.200 0.004 0.000 0.993 123 S CB -0.173 63.021 63.200 -0.009 0.000 0.859 123 S HN 0.834 nan 8.310 nan 0.000 0.453 124 A N 2.842 125.655 122.820 -0.011 0.000 1.896 124 A HA -0.158 4.162 4.320 0.000 0.000 0.220 124 A C 0.491 178.068 177.584 -0.012 0.000 1.206 124 A CA 2.121 54.149 52.037 -0.015 0.000 0.647 124 A CB -1.844 17.147 19.000 -0.015 0.000 0.828 124 A HN 0.538 nan 8.150 nan 0.000 0.455 125 P HA -0.036 nan 4.420 nan 0.000 0.217 125 P C 1.763 179.047 177.300 -0.027 0.000 1.154 125 P CA 0.990 64.075 63.100 -0.025 0.000 0.841 125 P CB -0.191 31.488 31.700 -0.035 0.000 0.790 126 L N 0.929 122.140 121.223 -0.021 0.000 2.013 126 L HA -0.186 4.154 4.340 0.000 0.000 0.212 126 L C 2.577 179.490 176.870 0.072 0.000 1.073 126 L CA 2.217 57.052 54.840 -0.007 0.000 0.753 126 L CB -1.483 40.583 42.059 0.013 0.000 0.890 126 L HN -0.121 nan 8.230 nan 0.000 0.432 127 E N -0.098 120.160 120.200 0.096 0.000 2.031 127 E HA -0.282 4.068 4.350 0.000 0.000 0.193 127 E C 2.300 179.010 176.600 0.183 0.000 0.994 127 E CA 1.716 58.222 56.400 0.176 0.000 0.800 127 E CB -0.301 29.440 29.700 0.068 0.000 0.752 127 E HN 0.459 nan 8.360 nan 0.000 0.447 128 K N -0.154 120.282 120.400 0.060 0.000 2.281 128 K HA -0.226 4.094 4.320 0.000 0.000 0.203 128 K C 2.160 178.806 176.600 0.077 0.000 1.046 128 K CA 1.482 57.778 56.287 0.015 0.000 0.938 128 K CB -0.020 32.462 32.500 -0.030 0.000 0.737 128 K HN 0.183 nan 8.250 nan 0.000 0.458 129 Q N 0.050 119.892 119.800 0.069 0.000 2.123 129 Q HA 0.001 4.341 4.340 0.000 0.000 0.196 129 Q C 2.028 178.084 176.000 0.094 0.000 0.958 129 Q CA 0.594 56.420 55.803 0.038 0.000 0.841 129 Q CB 0.156 28.827 28.738 -0.112 0.000 0.915 129 Q HN 0.291 nan 8.270 nan 0.000 0.455 130 L N -0.399 120.916 121.223 0.153 0.000 1.961 130 L HA -0.124 4.216 4.340 0.000 0.000 0.210 130 L C 0.739 177.637 176.870 0.047 0.000 1.072 130 L CA 0.912 55.834 54.840 0.137 0.000 0.749 130 L CB -0.260 41.947 42.059 0.246 0.000 0.889 130 L HN 0.186 nan 8.230 nan 0.000 0.432 131 F N -0.580 119.440 119.950 0.116 0.000 2.733 131 F HA 0.023 4.550 4.527 0.000 0.000 0.344 131 F C 1.322 177.181 175.800 0.098 0.000 1.179 131 F CA -0.404 57.670 58.000 0.124 0.000 1.316 131 F CB -0.934 38.133 39.000 0.112 0.000 1.577 131 F HN 0.028 nan 8.300 nan 0.000 0.591 132 Y N 0.203 120.515 120.300 0.019 0.000 2.263 132 Y HA -0.037 4.514 4.550 0.000 0.000 0.292 132 Y C 0.466 176.359 175.900 -0.012 0.000 1.130 132 Y CA 0.479 58.526 58.100 -0.089 0.000 1.179 132 Y CB -0.504 37.769 38.460 -0.311 0.000 0.998 132 Y HN 0.131 nan 8.280 nan 0.000 0.532 133 Y N 1.266 121.544 120.300 -0.036 0.000 2.336 133 Y HA 0.317 4.867 4.550 0.000 0.000 0.331 133 Y C 0.098 175.967 175.900 -0.052 0.000 1.211 133 Y CA -0.464 57.542 58.100 -0.156 0.000 1.346 133 Y CB 0.494 38.895 38.460 -0.098 0.000 1.271 133 Y HN -0.193 nan 8.280 nan 0.000 0.538 134 I N 1.088 121.680 120.570 0.035 0.000 2.648 134 I HA 0.737 4.907 4.170 0.000 0.000 0.304 134 I C 0.515 176.629 176.117 -0.006 0.000 1.009 134 I CA -0.336 60.916 61.300 -0.081 0.000 1.114 134 I CB 2.040 39.908 38.000 -0.220 0.000 1.293 134 I HN 0.812 nan 8.210 nan 0.000 0.449 135 G N 2.249 111.044 108.800 -0.008 0.000 2.791 135 G HA2 0.504 4.464 3.960 0.000 0.000 0.158 135 G HA3 0.504 4.464 3.960 0.000 0.000 0.158 135 G C -1.385 173.531 174.900 0.027 0.000 1.193 135 G CA -0.268 44.850 45.100 0.031 0.000 1.032 135 G HN 0.419 nan 8.290 nan 0.000 0.557 136 T N 1.764 116.344 114.554 0.044 0.000 3.089 136 T HA 0.272 4.622 4.350 0.000 0.000 0.340 136 T C 1.026 175.754 174.700 0.047 0.000 1.008 136 T CA -0.568 61.559 62.100 0.045 0.000 1.096 136 T CB 1.331 70.224 68.868 0.041 0.000 1.024 136 T HN 0.258 nan 8.240 nan 0.000 0.477 137 M N 1.668 121.295 119.600 0.045 0.000 2.202 137 M HA 0.099 4.579 4.480 0.000 0.000 0.262 137 M C 0.506 176.834 176.300 0.046 0.000 1.063 137 M CA 1.338 56.654 55.300 0.026 0.000 1.097 137 M CB -0.746 31.890 32.600 0.059 0.000 1.382 137 M HN 0.505 nan 8.290 nan 0.000 0.413 138 L N 1.369 122.635 121.223 0.072 0.000 2.324 138 L HA 0.336 4.676 4.340 0.000 0.000 0.274 138 L C -1.969 174.990 176.870 0.148 0.000 1.012 138 L CA -1.846 53.062 54.840 0.114 0.000 0.859 138 L CB 0.953 43.077 42.059 0.108 0.000 1.224 138 L HN -0.040 nan 8.230 nan 0.000 0.429 139 P HA 0.022 nan 4.420 nan 0.000 0.288 139 P C -0.362 176.978 177.300 0.066 0.000 1.291 139 P CA -0.242 62.910 63.100 0.087 0.000 0.766 139 P CB 1.037 32.759 31.700 0.036 0.000 1.242 140 N N -1.600 117.101 118.700 0.002 0.000 2.273 140 N HA 0.052 4.792 4.740 0.000 0.000 0.231 140 N C -0.234 175.229 175.510 -0.078 0.000 1.134 140 N CA -0.114 52.925 53.050 -0.019 0.000 0.856 140 N CB -0.534 37.944 38.487 -0.015 0.000 1.068 140 N HN 0.400 nan 8.380 nan 0.000 0.510 141 T N -2.342 112.138 114.554 -0.123 0.000 2.918 141 T HA 0.168 4.518 4.350 0.000 0.000 0.302 141 T C 1.524 176.079 174.700 -0.242 0.000 1.045 141 T CA -0.360 61.623 62.100 -0.196 0.000 1.114 141 T CB 1.150 69.838 68.868 -0.302 0.000 0.965 141 T HN 0.121 nan 8.240 nan 0.000 0.540 142 R N 2.169 122.512 120.500 -0.262 0.000 2.112 142 R HA -0.096 4.244 4.340 0.000 0.000 0.242 142 R C -0.396 175.539 176.300 -0.609 0.000 1.137 142 R CA 2.093 57.922 56.100 -0.452 0.000 0.944 142 R CB -1.834 28.300 30.300 -0.276 0.000 0.857 142 R HN 0.672 nan 8.270 nan 0.000 0.435 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.823 178.125 177.300 0.004 0.000 1.178 143 P CA 1.785 64.844 63.100 -0.068 0.000 0.915 143 P CB -0.389 31.328 31.700 0.028 0.000 0.788 144 H N -0.343 118.676 119.070 -0.084 0.000 2.321 144 H HA -0.031 4.525 4.556 0.000 0.000 0.300 144 H C 2.347 177.642 175.328 -0.054 0.000 1.087 144 H CA 0.961 57.002 56.048 -0.012 0.000 1.319 144 H CB -0.401 29.423 29.762 0.104 0.000 1.379 144 H HN 0.140 nan 8.280 nan 0.000 0.501 145 S N 0.386 116.093 115.700 0.013 0.000 2.462 145 S HA -0.170 4.300 4.470 0.000 0.000 0.243 145 S C 1.291 175.920 174.600 0.049 0.000 1.003 145 S CA 1.022 59.208 58.200 -0.023 0.000 0.970 145 S CB -0.241 62.889 63.200 -0.116 0.000 0.762 145 S HN 0.397 nan 8.310 nan 0.000 0.510 146 Y N -0.103 120.184 120.300 -0.022 0.000 2.448 146 Y HA 0.185 4.735 4.550 0.000 0.000 0.289 146 Y C 2.145 177.989 175.900 -0.093 0.000 1.114 146 Y CA -0.546 57.546 58.100 -0.014 0.000 1.235 146 Y CB -0.522 37.962 38.460 0.041 0.000 1.045 146 Y HN 0.092 nan 8.280 nan 0.000 0.554 147 V N -1.885 117.881 119.914 -0.247 0.000 2.599 147 V HA 0.029 4.149 4.120 0.000 0.000 0.237 147 V C 0.359 176.070 176.094 -0.638 0.000 1.081 147 V CA 0.377 62.183 62.300 -0.823 0.000 1.107 147 V CB -0.320 30.648 31.823 -1.425 0.000 0.808 147 V HN -0.151 nan 8.190 nan 0.000 0.486 148 F N -1.266 118.562 119.950 -0.204 0.000 2.370 148 F HA 0.489 5.016 4.527 0.000 0.000 0.319 148 F C -0.213 175.524 175.800 -0.105 0.000 1.129 148 F CA -1.151 56.770 58.000 -0.131 0.000 1.109 148 F CB 0.098 39.050 39.000 -0.079 0.000 1.262 148 F HN -0.033 nan 8.300 nan 0.000 0.534 149 Y N 1.329 121.764 120.300 0.226 0.000 2.341 149 Y HA 0.180 4.730 4.550 0.000 0.000 0.340 149 Y C 0.219 176.191 175.900 0.120 0.000 0.997 149 Y CA -0.740 57.439 58.100 0.131 0.000 1.149 149 Y CB 0.476 38.993 38.460 0.095 0.000 1.171 149 Y HN 0.356 nan 8.280 nan 0.000 0.494 150 Q N 3.448 123.401 119.800 0.255 0.000 2.859 150 Q HA -0.113 4.227 4.340 0.000 0.000 0.364 150 Q C -0.816 175.279 176.000 0.158 0.000 1.067 150 Q CA 0.691 56.598 55.803 0.174 0.000 1.162 150 Q CB 0.339 29.159 28.738 0.136 0.000 1.023 150 Q HN 0.556 nan 8.270 nan 0.000 0.415 151 L N 3.248 124.548 121.223 0.128 0.000 2.354 151 L HA 0.581 4.921 4.340 0.000 0.000 0.269 151 L C -0.798 176.120 176.870 0.080 0.000 1.005 151 L CA -0.400 54.506 54.840 0.109 0.000 0.819 151 L CB 1.891 44.027 42.059 0.128 0.000 1.311 151 L HN 0.617 nan 8.230 nan 0.000 0.423 152 R N 4.486 125.023 120.500 0.061 0.000 2.518 152 R HA 0.697 5.037 4.340 0.000 0.000 0.296 152 R C -1.923 174.380 176.300 0.005 0.000 1.080 152 R CA -0.346 55.771 56.100 0.028 0.000 0.922 152 R CB 0.844 31.152 30.300 0.012 0.000 1.184 152 R HN 0.941 nan 8.270 nan 0.000 0.445 153 C N 0.328 119.626 119.300 -0.004 0.000 3.318 153 C HA 0.543 5.004 4.460 0.000 0.000 0.322 153 C C -0.216 174.758 174.990 -0.028 0.000 1.398 153 C CA -1.242 57.764 59.018 -0.020 0.000 1.339 153 C CB 1.386 29.165 27.740 0.064 0.000 1.668 153 C HN 0.767 nan 8.230 nan 0.000 0.462 154 H N 1.221 120.336 119.070 0.075 0.000 3.001 154 H HA 0.431 4.987 4.556 0.000 0.000 0.334 154 H C -0.073 175.404 175.328 0.247 0.000 1.034 154 H CA 1.063 57.192 56.048 0.134 0.000 1.420 154 H CB 0.573 30.422 29.762 0.144 0.000 1.405 154 H HN 0.621 nan 8.280 nan 0.000 0.593 155 L N 0.105 121.551 121.223 0.372 0.000 2.598 155 L HA 0.695 5.035 4.340 0.000 0.000 0.246 155 L C -0.496 176.443 176.870 0.115 0.000 1.124 155 L CA -1.070 53.982 54.840 0.353 0.000 1.019 155 L CB 0.791 42.939 42.059 0.149 0.000 1.583 155 L HN 0.608 nan 8.230 nan 0.000 0.386 156 S N -1.264 114.412 115.700 -0.040 0.000 2.556 156 S HA 0.776 5.246 4.470 0.000 0.000 0.280 156 S C -1.549 172.940 174.600 -0.185 0.000 1.141 156 S CA -0.620 57.433 58.200 -0.245 0.000 0.883 156 S CB 0.914 63.913 63.200 -0.335 0.000 1.103 156 S HN 1.506 nan 8.310 nan 0.000 0.453 157 Y N -0.631 119.581 120.300 -0.147 0.000 2.665 157 Y HA 0.903 5.453 4.550 0.000 0.000 0.336 157 Y C -1.235 174.517 175.900 -0.248 0.000 1.085 157 Y CA -1.982 56.004 58.100 -0.190 0.000 1.096 157 Y CB 0.685 39.033 38.460 -0.186 0.000 1.301 157 Y HN 0.574 nan 8.280 nan 0.000 0.493 158 V N 1.493 121.436 119.914 0.047 0.000 2.357 158 V HA 0.764 4.884 4.120 0.000 0.000 0.281 158 V C 0.127 176.152 176.094 -0.116 0.000 1.015 158 V CA -0.877 61.373 62.300 -0.084 0.000 0.827 158 V CB 0.213 31.930 31.823 -0.176 0.000 1.018 158 V HN 1.111 nan 8.190 nan 0.000 0.432 159 A N 4.870 127.655 122.820 -0.058 0.000 2.371 159 A HA 0.825 5.145 4.320 0.000 0.000 0.257 159 A C -0.754 176.801 177.584 -0.048 0.000 1.089 159 A CA -0.117 51.836 52.037 -0.140 0.000 0.794 159 A CB 0.927 19.843 19.000 -0.140 0.000 1.029 159 A HN 0.837 nan 8.150 nan 0.000 0.488 160 L N 1.204 122.400 121.223 -0.044 0.000 2.472 160 L HA 0.715 5.055 4.340 0.000 0.000 0.260 160 L C -0.465 176.418 176.870 0.021 0.000 0.963 160 L CA 0.208 55.077 54.840 0.048 0.000 0.829 160 L CB 2.288 44.442 42.059 0.158 0.000 1.348 160 L HN 0.672 nan 8.230 nan 0.000 0.408 161 S N 4.742 120.472 115.700 0.049 0.000 2.706 161 S HA 0.820 5.290 4.470 0.000 0.000 0.270 161 S C -1.244 173.399 174.600 0.073 0.000 1.163 161 S CA -0.556 57.670 58.200 0.044 0.000 1.042 161 S CB 0.374 63.582 63.200 0.014 0.000 1.079 161 S HN 0.427 nan 8.310 nan 0.000 0.474 162 I N 3.105 123.746 120.570 0.118 0.000 3.067 162 I HA 0.547 4.717 4.170 0.000 0.000 0.312 162 I C 0.726 176.886 176.117 0.073 0.000 1.073 162 I CA -0.899 60.449 61.300 0.080 0.000 1.016 162 I CB 1.104 39.122 38.000 0.030 0.000 1.227 162 I HN 0.761 nan 8.210 nan 0.000 0.456 163 N N 2.039 120.749 118.700 0.018 0.000 2.678 163 N HA -0.187 4.553 4.740 0.000 0.000 0.249 163 N C 0.598 176.116 175.510 0.015 0.000 1.119 163 N CA 1.399 54.450 53.050 0.001 0.000 0.718 163 N CB -1.169 37.306 38.487 -0.019 0.000 1.060 163 N HN 1.135 nan 8.380 nan 0.000 0.552 164 G N 0.397 109.210 108.800 0.021 0.000 2.415 164 G HA2 -0.241 3.719 3.960 0.000 0.000 0.283 164 G HA3 -0.241 3.719 3.960 0.000 0.000 0.283 164 G C 0.145 175.052 174.900 0.013 0.000 1.014 164 G CA 0.195 45.303 45.100 0.014 0.000 1.323 164 G HN 0.531 nan 8.290 nan 0.000 0.502 165 D N -1.368 119.042 120.400 0.017 0.000 3.070 165 D HA -0.186 4.454 4.640 0.000 0.000 0.220 165 D C 1.614 177.920 176.300 0.009 0.000 1.176 165 D CA 1.807 55.808 54.000 0.002 0.000 0.924 165 D CB -0.339 40.453 40.800 -0.014 0.000 1.124 165 D HN 0.751 nan 8.370 nan 0.000 0.411 166 K N -0.854 119.569 120.400 0.038 0.000 2.400 166 K HA 0.092 4.412 4.320 0.000 0.000 0.194 166 K C 0.527 177.201 176.600 0.123 0.000 1.033 166 K CA 0.286 56.601 56.287 0.047 0.000 1.021 166 K CB 0.578 33.096 32.500 0.029 0.000 0.808 166 K HN 0.171 nan 8.250 nan 0.000 0.505 167 F N 1.547 121.473 119.950 -0.040 0.000 2.615 167 F HA 0.168 4.695 4.527 0.000 0.000 0.312 167 F C -1.967 173.835 175.800 0.003 0.000 1.119 167 F CA -0.683 57.305 58.000 -0.021 0.000 0.979 167 F CB 1.530 40.490 39.000 -0.067 0.000 1.266 167 F HN -0.122 nan 8.300 nan 0.000 0.444 168 Q N 4.919 124.322 119.800 -0.660 0.000 2.435 168 Q HA 0.437 4.777 4.340 0.000 0.000 0.282 168 Q C -2.327 173.462 176.000 -0.351 0.000 1.020 168 Q CA -1.065 54.526 55.803 -0.354 0.000 0.820 168 Q CB 3.091 31.718 28.738 -0.185 0.000 1.436 168 Q HN 0.703 nan 8.270 nan 0.000 0.395 169 Y N 0.422 120.579 120.300 -0.238 0.000 2.499 169 Y HA 0.671 5.221 4.550 0.000 0.000 0.347 169 Y C -1.498 174.326 175.900 -0.126 0.000 0.987 169 Y CA -0.577 57.443 58.100 -0.134 0.000 1.044 169 Y CB 2.779 41.276 38.460 0.062 0.000 1.245 169 Y HN 0.753 nan 8.280 nan 0.000 0.461 170 T N 3.952 117.973 114.554 -0.888 0.000 2.890 170 T HA 0.398 4.748 4.350 0.000 0.000 0.295 170 T C -0.136 174.017 174.700 -0.911 0.000 0.993 170 T CA -0.428 61.218 62.100 -0.758 0.000 0.979 170 T CB 1.062 69.672 68.868 -0.430 0.000 0.967 170 T HN 0.947 nan 8.240 nan 0.000 0.441 171 G N 2.245 110.625 108.800 -0.701 0.000 3.506 171 G HA2 0.505 4.465 3.960 0.000 0.000 0.268 171 G HA3 0.505 4.465 3.960 0.000 0.000 0.268 171 G C 0.405 175.228 174.900 -0.127 0.000 0.959 171 G CA -0.573 44.313 45.100 -0.358 0.000 1.823 171 G HN 0.975 nan 8.290 nan 0.000 0.615 172 A N 2.946 125.696 122.820 -0.115 0.000 2.454 172 A HA 0.675 4.996 4.320 0.000 0.000 0.260 172 A C 0.345 177.873 177.584 -0.093 0.000 1.106 172 A CA -0.111 51.899 52.037 -0.045 0.000 0.780 172 A CB -0.002 18.966 19.000 -0.052 0.000 1.044 172 A HN 0.976 nan 8.150 nan 0.000 0.498 173 M N 1.822 121.382 119.600 -0.065 0.000 2.470 173 M HA 0.697 5.177 4.480 0.000 0.000 0.285 173 M C -0.699 175.646 176.300 0.075 0.000 1.213 173 M CA -0.433 54.810 55.300 -0.096 0.000 0.901 173 M CB 1.937 34.578 32.600 0.068 0.000 1.718 173 M HN 0.494 nan 8.290 nan 0.000 0.469 174 T N -0.468 114.071 114.554 -0.024 0.000 2.807 174 T HA 0.484 4.834 4.350 0.000 0.000 0.277 174 T C 0.964 175.788 174.700 0.207 0.000 1.006 174 T CA 0.111 62.301 62.100 0.150 0.000 1.006 174 T CB 1.481 70.239 68.868 -0.183 0.000 1.274 174 T HN 0.936 nan 8.240 nan 0.000 0.569 175 S N 0.202 115.711 115.700 -0.318 0.000 2.547 175 S HA 0.072 4.542 4.470 0.000 0.000 0.235 175 S C 1.271 175.977 174.600 0.177 0.000 0.980 175 S CA 0.703 58.699 58.200 -0.340 0.000 0.941 175 S CB -0.276 62.547 63.200 -0.628 0.000 0.763 175 S HN 0.680 nan 8.310 nan 0.000 0.532 176 K N -0.267 120.309 120.400 0.295 0.000 2.424 176 K HA 0.323 4.643 4.320 0.000 0.000 0.198 176 K C -0.185 176.772 176.600 0.595 0.000 1.190 176 K CA 0.183 56.755 56.287 0.475 0.000 0.935 176 K CB 0.781 33.487 32.500 0.343 0.000 1.087 176 K HN 0.587 nan 8.250 nan 0.000 0.524 177 F N -0.400 119.663 119.950 0.187 0.000 2.654 177 F HA 0.552 5.079 4.527 0.000 0.000 0.308 177 F C -1.590 173.889 175.800 -0.536 0.000 1.108 177 F CA -1.692 56.174 58.000 -0.224 0.000 0.957 177 F CB 0.931 39.843 39.000 -0.146 0.000 1.309 177 F HN -0.295 nan 8.300 nan 0.000 0.446 178 L N 4.104 124.861 121.223 -0.776 0.000 2.331 178 L HA 0.752 5.092 4.340 0.000 0.000 0.275 178 L C -1.149 175.722 176.870 0.002 0.000 1.022 178 L CA -0.708 53.819 54.840 -0.522 0.000 0.812 178 L CB 1.878 43.585 42.059 -0.588 0.000 1.257 178 L HN 0.920 nan 8.230 nan 0.000 0.435 179 M N 4.512 124.125 119.600 0.022 0.000 2.167 179 M HA 0.385 4.865 4.480 0.000 0.000 0.218 179 M C -0.706 175.634 176.300 0.067 0.000 0.968 179 M CA -0.239 55.127 55.300 0.110 0.000 1.004 179 M CB 0.680 33.341 32.600 0.102 0.000 2.485 179 M HN 0.840 nan 8.290 nan 0.000 0.404 180 G N 2.188 111.090 108.800 0.170 0.000 2.420 180 G HA2 0.586 4.546 3.960 0.000 0.000 0.284 180 G HA3 0.586 4.546 3.960 0.000 0.000 0.284 180 G C -0.267 174.609 174.900 -0.041 0.000 1.177 180 G CA -0.112 45.051 45.100 0.105 0.000 0.841 180 G HN 0.627 nan 8.290 nan 0.000 0.527 181 T N -1.029 113.452 114.554 -0.122 0.000 2.861 181 T HA 0.585 4.935 4.350 0.000 0.000 0.287 181 T C -1.085 173.530 174.700 -0.142 0.000 1.003 181 T CA -0.761 61.261 62.100 -0.130 0.000 0.977 181 T CB 1.363 70.231 68.868 0.000 0.000 0.996 181 T HN 0.323 nan 8.240 nan 0.000 0.448 182 Y N 1.351 121.636 120.300 -0.025 0.000 2.352 182 Y HA 0.696 5.246 4.550 0.000 0.000 0.326 182 Y C 0.572 176.453 175.900 -0.030 0.000 1.166 182 Y CA -1.239 56.796 58.100 -0.108 0.000 1.182 182 Y CB 1.706 39.982 38.460 -0.307 0.000 1.216 182 Y HN 0.754 nan 8.280 nan 0.000 0.474 183 K N 3.564 123.968 120.400 0.006 0.000 2.652 183 K HA 0.414 4.734 4.320 0.000 0.000 0.249 183 K C -1.228 175.309 176.600 -0.106 0.000 0.986 183 K CA -0.666 55.614 56.287 -0.011 0.000 0.867 183 K CB 1.348 33.778 32.500 -0.118 0.000 1.201 183 K HN 0.786 nan 8.250 nan 0.000 0.450 184 R N 2.760 123.313 120.500 0.088 0.000 2.873 184 R HA 0.684 5.024 4.340 0.000 0.000 0.264 184 R C -1.432 174.900 176.300 0.054 0.000 1.026 184 R CA -0.710 55.468 56.100 0.129 0.000 1.002 184 R CB 1.932 32.323 30.300 0.151 0.000 1.174 184 R HN 0.335 nan 8.270 nan 0.000 0.488 185 V N 1.868 121.813 119.914 0.052 0.000 2.612 185 V HA 0.222 4.342 4.120 0.000 0.000 0.301 185 V C -0.082 176.023 176.094 0.018 0.000 1.059 185 V CA -0.837 61.470 62.300 0.012 0.000 0.886 185 V CB 1.853 33.671 31.823 -0.009 0.000 1.007 185 V HN 0.918 nan 8.190 nan 0.000 0.426 186 T N 2.475 117.045 114.554 0.026 0.000 2.698 186 T HA 0.107 4.457 4.350 0.000 0.000 0.295 186 T C 1.329 176.030 174.700 0.002 0.000 1.007 186 T CA -0.487 61.629 62.100 0.026 0.000 0.980 186 T CB 0.640 69.540 68.868 0.053 0.000 1.036 186 T HN 0.729 nan 8.240 nan 0.000 0.526 187 E N 0.296 120.495 120.200 -0.001 0.000 2.171 187 E HA -0.094 4.256 4.350 0.000 0.000 0.197 187 E C 0.867 177.462 176.600 -0.009 0.000 0.997 187 E CA 1.235 57.630 56.400 -0.007 0.000 0.810 187 E CB -0.119 29.577 29.700 -0.007 0.000 0.738 187 E HN 0.491 nan 8.360 nan 0.000 0.467 188 K N -0.419 119.976 120.400 -0.007 0.000 2.179 188 K HA 0.312 4.632 4.320 0.000 0.000 0.238 188 K C 1.177 177.764 176.600 -0.023 0.000 1.033 188 K CA 0.255 56.535 56.287 -0.012 0.000 0.926 188 K CB 0.764 33.259 32.500 -0.008 0.000 1.151 188 K HN 0.021 nan 8.250 nan 0.000 0.492 189 G N 1.024 109.808 108.800 -0.027 0.000 3.028 189 G HA2 -0.092 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 -0.341 174.524 174.900 -0.058 0.000 1.182 189 G CA 0.086 45.164 45.100 -0.037 0.000 0.860 189 G HN 0.539 nan 8.290 nan 0.000 0.507 190 D N 0.624 120.982 120.400 -0.070 0.000 2.450 190 D HA 0.153 4.793 4.640 0.000 0.000 0.247 190 D C 0.143 176.327 176.300 -0.195 0.000 1.162 190 D CA 0.537 54.450 54.000 -0.145 0.000 0.879 190 D CB 0.983 41.703 40.800 -0.134 0.000 1.163 190 D HN 0.365 nan 8.370 nan 0.000 0.472 191 E N 2.534 122.591 120.200 -0.238 0.000 2.186 191 E HA 0.135 4.485 4.350 0.000 0.000 0.255 191 E C -0.872 175.581 176.600 -0.244 0.000 0.881 191 E CA -0.729 55.559 56.400 -0.186 0.000 0.752 191 E CB 0.477 30.110 29.700 -0.111 0.000 1.176 191 E HN 0.401 nan 8.360 nan 0.000 0.421 192 H N 2.652 121.697 119.070 -0.041 0.000 2.467 192 H HA 0.380 4.936 4.556 0.000 0.000 0.326 192 H C -0.298 174.954 175.328 -0.126 0.000 1.094 192 H CA -0.540 55.416 56.048 -0.152 0.000 1.253 192 H CB 1.512 31.239 29.762 -0.059 0.000 1.439 192 H HN 0.338 nan 8.280 nan 0.000 0.479 193 V N 2.087 121.817 119.914 -0.307 0.000 2.841 193 V HA 0.653 4.773 4.120 0.000 0.000 0.310 193 V C -1.016 175.117 176.094 0.065 0.000 1.090 193 V CA -0.994 61.310 62.300 0.006 0.000 0.930 193 V CB 2.194 33.911 31.823 -0.178 0.000 1.014 193 V HN 0.462 nan 8.190 nan 0.000 0.425 194 L N 3.423 124.637 121.223 -0.014 0.000 2.526 194 L HA 0.954 5.294 4.340 0.000 0.000 0.263 194 L C -0.426 176.398 176.870 -0.077 0.000 0.943 194 L CA 0.109 54.897 54.840 -0.088 0.000 0.859 194 L CB 2.161 43.973 42.059 -0.412 0.000 1.313 194 L HN 1.181 nan 8.230 nan 0.000 0.406 195 S N 4.236 119.951 115.700 0.025 0.000 2.599 195 S HA 0.888 5.358 4.470 0.000 0.000 0.294 195 S C -0.898 173.676 174.600 -0.044 0.000 1.094 195 S CA -0.911 57.270 58.200 -0.032 0.000 0.931 195 S CB 1.777 65.035 63.200 0.098 0.000 1.093 195 S HN 0.714 nan 8.310 nan 0.000 0.488 196 L N 1.555 122.689 121.223 -0.149 0.000 2.346 196 L HA 0.690 5.030 4.340 0.000 0.000 0.276 196 L C -1.252 175.622 176.870 0.006 0.000 1.006 196 L CA -1.077 53.658 54.840 -0.174 0.000 0.817 196 L CB 2.076 43.741 42.059 -0.655 0.000 1.272 196 L HN 0.544 nan 8.230 nan 0.000 0.421 197 V N 2.605 122.594 119.914 0.126 0.000 2.444 197 V HA 0.432 4.552 4.120 0.000 0.000 0.294 197 V C -0.746 175.552 176.094 0.340 0.000 1.022 197 V CA -0.562 61.867 62.300 0.216 0.000 0.850 197 V CB 1.641 33.544 31.823 0.133 0.000 0.992 197 V HN 0.462 nan 8.190 nan 0.000 0.426 198 F N 3.164 123.259 119.950 0.242 0.000 2.522 198 F HA 0.980 5.507 4.527 0.000 0.000 0.324 198 F C 0.369 176.275 175.800 0.176 0.000 1.077 198 F CA 0.320 58.485 58.000 0.276 0.000 0.944 198 F CB 2.104 41.324 39.000 0.367 0.000 1.175 198 F HN 0.861 nan 8.300 nan 0.000 0.468 199 G N 3.581 111.959 108.800 -0.703 0.000 2.361 199 G HA2 0.122 4.082 3.960 0.000 0.000 0.305 199 G HA3 0.122 4.082 3.960 0.000 0.000 0.305 199 G C -1.890 172.912 174.900 -0.163 0.000 1.367 199 G CA -1.331 43.569 45.100 -0.332 0.000 0.951 199 G HN 0.656 nan 8.290 nan 0.000 0.615 200 K N 0.918 121.211 120.400 -0.179 0.000 2.447 200 K HA 0.222 4.542 4.320 0.000 0.000 0.281 200 K C 1.627 178.082 176.600 -0.242 0.000 1.031 200 K CA 0.555 56.599 56.287 -0.405 0.000 1.019 200 K CB 0.615 32.914 32.500 -0.334 0.000 0.918 200 K HN 0.523 nan 8.250 nan 0.000 0.476 201 T N 2.830 117.246 114.554 -0.230 0.000 2.751 201 T HA -0.262 4.088 4.350 0.000 0.000 0.268 201 T C 1.621 176.200 174.700 -0.203 0.000 1.045 201 T CA 2.078 64.054 62.100 -0.207 0.000 1.142 201 T CB -0.177 68.608 68.868 -0.139 0.000 0.851 201 T HN 0.654 nan 8.240 nan 0.000 0.474 202 K N 1.134 121.440 120.400 -0.157 0.000 2.365 202 K HA -0.014 4.306 4.320 0.000 0.000 0.199 202 K C 1.261 177.804 176.600 -0.095 0.000 1.045 202 K CA 1.348 57.570 56.287 -0.107 0.000 0.962 202 K CB 0.148 32.598 32.500 -0.083 0.000 0.759 202 K HN 0.174 nan 8.250 nan 0.000 0.469 203 D N 0.425 120.759 120.400 -0.110 0.000 2.349 203 D HA 0.068 4.708 4.640 0.000 0.000 0.214 203 D C -0.174 175.993 176.300 -0.221 0.000 1.063 203 D CA -0.099 53.856 54.000 -0.074 0.000 0.847 203 D CB 0.154 40.985 40.800 0.052 0.000 0.933 203 D HN 0.077 nan 8.370 nan 0.000 0.513 204 L N 2.133 123.154 121.223 -0.337 0.000 2.514 204 L HA 0.074 4.414 4.340 0.000 0.000 0.280 204 L C -1.669 174.998 176.870 -0.338 0.000 1.223 204 L CA -0.608 53.916 54.840 -0.527 0.000 0.864 204 L CB -0.594 40.964 42.059 -0.834 0.000 1.118 204 L HN -0.176 nan 8.230 nan 0.000 0.494 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.096 176.305 177.300 0.168 0.000 1.239 205 P CA -0.073 62.890 63.100 -0.227 0.000 0.807 205 P CB 0.350 31.754 31.700 -0.493 0.000 0.951 206 D N 0.560 121.080 120.400 0.200 0.000 2.277 206 D HA 0.192 4.832 4.640 0.000 0.000 0.249 206 D C 0.117 176.631 176.300 0.357 0.000 1.134 206 D CA -0.074 54.090 54.000 0.273 0.000 0.863 206 D CB 0.520 41.455 40.800 0.225 0.000 1.143 206 D HN 0.184 nan 8.370 nan 0.000 0.458 207 L N 2.176 123.512 121.223 0.188 0.000 2.371 207 L HA 0.288 4.628 4.340 0.000 0.000 0.272 207 L C 1.844 178.774 176.870 0.100 0.000 1.124 207 L CA -0.421 54.426 54.840 0.012 0.000 0.816 207 L CB 1.272 43.221 42.059 -0.183 0.000 1.129 207 L HN 0.314 nan 8.230 nan 0.000 0.448 208 R N 1.912 122.341 120.500 -0.119 0.000 1.802 208 R HA 0.156 4.496 4.340 0.000 0.000 0.149 208 R C 1.064 177.319 176.300 -0.076 0.000 1.595 208 R CA 0.559 56.436 56.100 -0.373 0.000 1.574 208 R CB -0.534 29.372 30.300 -0.657 0.000 0.923 208 R HN 0.796 nan 8.270 nan 0.000 0.524 209 G N 0.526 109.306 108.800 -0.033 0.000 2.443 209 G HA2 -0.001 3.959 3.960 0.000 0.000 0.286 209 G HA3 -0.001 3.959 3.960 0.000 0.000 0.286 209 G C -2.030 172.694 174.900 -0.294 0.000 1.393 209 G CA -0.745 44.258 45.100 -0.162 0.000 1.080 209 G HN 0.362 nan 8.290 nan 0.000 0.566 210 P HA 0.197 nan 4.420 nan 0.000 0.238 210 P C -1.074 175.686 177.300 -0.900 0.000 1.679 210 P CA 0.420 63.125 63.100 -0.658 0.000 1.080 210 P CB -0.478 30.778 31.700 -0.741 0.000 1.961 211 F N 0.530 120.326 119.950 -0.257 0.000 2.520 211 F HA 0.461 4.988 4.527 0.000 0.000 0.322 211 F C 0.463 176.146 175.800 -0.194 0.000 1.103 211 F CA -0.664 57.219 58.000 -0.196 0.000 0.926 211 F CB 1.756 40.619 39.000 -0.228 0.000 1.154 211 F HN -0.109 nan 8.300 nan 0.000 0.453 212 S N 1.816 117.563 115.700 0.077 0.000 2.647 212 S HA 0.342 4.812 4.470 0.000 0.000 0.300 212 S C 0.257 174.879 174.600 0.036 0.000 1.129 212 S CA -0.720 57.492 58.200 0.020 0.000 1.029 212 S CB 0.520 63.736 63.200 0.026 0.000 1.007 212 S HN 0.644 nan 8.310 nan 0.000 0.484 213 Y N 2.720 123.048 120.300 0.046 0.000 2.173 213 Y HA -0.161 4.389 4.550 0.000 0.000 0.282 213 Y C -0.228 175.673 175.900 0.001 0.000 1.192 213 Y CA 2.293 60.405 58.100 0.019 0.000 1.176 213 Y CB -1.257 37.212 38.460 0.016 0.000 0.969 213 Y HN 0.568 nan 8.280 nan 0.000 0.519 214 P HA -0.191 nan 4.420 nan 0.000 0.215 214 P C 1.235 178.558 177.300 0.039 0.000 1.157 214 P CA 2.349 65.496 63.100 0.080 0.000 0.874 214 P CB -0.257 31.478 31.700 0.059 0.000 0.790 215 S N -1.636 114.089 115.700 0.041 0.000 2.786 215 S HA 0.133 4.604 4.470 0.000 0.000 0.223 215 S C 1.466 176.032 174.600 -0.057 0.000 0.956 215 S CA 0.161 58.362 58.200 0.001 0.000 0.961 215 S CB -1.012 62.224 63.200 0.060 0.000 0.784 215 S HN 0.141 nan 8.310 nan 0.000 0.519 216 L N -0.364 120.845 121.223 -0.024 0.000 3.284 216 L HA 0.222 4.562 4.340 0.000 0.000 0.294 216 L C -0.078 176.791 176.870 -0.001 0.000 1.183 216 L CA 0.005 54.814 54.840 -0.052 0.000 1.056 216 L CB 0.521 42.564 42.059 -0.027 0.000 1.513 216 L HN 0.137 nan 8.230 nan 0.000 0.601 217 T N -0.831 113.737 114.554 0.024 0.000 2.856 217 T HA 0.124 4.474 4.350 0.000 0.000 0.292 217 T C 0.948 175.612 174.700 -0.061 0.000 0.980 217 T CA 0.209 62.309 62.100 -0.000 0.000 1.091 217 T CB 2.386 71.254 68.868 0.000 0.000 0.936 217 T HN -0.067 nan 8.240 nan 0.000 0.503 218 S N 1.363 117.013 115.700 -0.084 0.000 2.468 218 S HA 0.492 4.962 4.470 0.000 0.000 0.226 218 S C 0.571 175.072 174.600 -0.165 0.000 1.051 218 S CA 0.079 58.222 58.200 -0.095 0.000 0.943 218 S CB 0.182 63.353 63.200 -0.048 0.000 0.810 218 S HN 0.892 nan 8.310 nan 0.000 0.509 219 A N 0.813 123.431 122.820 -0.336 0.000 2.422 219 A HA 0.767 5.087 4.320 0.000 0.000 0.302 219 A C -0.963 176.235 177.584 -0.645 0.000 1.041 219 A CA -0.481 51.218 52.037 -0.563 0.000 0.708 219 A CB 1.530 19.945 19.000 -0.975 0.000 1.257 219 A HN 0.349 nan 8.150 nan 0.000 0.414 220 Q N 1.383 121.021 119.800 -0.269 0.000 2.305 220 Q HA 0.643 4.983 4.340 0.000 0.000 0.271 220 Q C -0.791 175.337 176.000 0.214 0.000 1.046 220 Q CA -0.386 55.411 55.803 -0.010 0.000 0.798 220 Q CB 2.049 30.785 28.738 -0.003 0.000 1.286 220 Q HN 0.795 nan 8.270 nan 0.000 0.435 221 S N 0.767 116.693 115.700 0.378 0.000 2.623 221 S HA 0.457 4.927 4.470 0.000 0.000 0.287 221 S C 0.932 175.644 174.600 0.187 0.000 1.123 221 S CA -0.091 58.309 58.200 0.332 0.000 1.016 221 S CB 0.732 64.189 63.200 0.428 0.000 1.233 221 S HN 0.842 nan 8.310 nan 0.000 0.512 222 G N 0.127 109.014 108.800 0.145 0.000 2.509 222 G HA2 -0.025 3.935 3.960 0.000 0.000 0.218 222 G HA3 -0.025 3.935 3.960 0.000 0.000 0.218 222 G C -0.098 174.818 174.900 0.026 0.000 1.124 222 G CA 0.972 46.116 45.100 0.074 0.000 0.776 222 G HN 0.752 nan 8.290 nan 0.000 0.547 223 D N -2.989 117.419 120.400 0.013 0.000 2.619 223 D HA 0.147 4.787 4.640 0.000 0.000 0.300 223 D C -0.656 175.474 176.300 -0.284 0.000 1.502 223 D CA -0.617 53.297 54.000 -0.143 0.000 0.865 223 D CB -0.314 40.352 40.800 -0.224 0.000 1.343 223 D HN 0.225 nan 8.370 nan 0.000 0.447 224 Y N 0.619 120.969 120.300 0.084 0.000 2.462 224 Y HA 0.735 5.285 4.550 0.000 0.000 0.346 224 Y C -0.032 176.033 175.900 0.275 0.000 0.976 224 Y CA -0.815 57.355 58.100 0.117 0.000 1.044 224 Y CB 2.558 41.099 38.460 0.135 0.000 1.230 224 Y HN -0.202 nan 8.280 nan 0.000 0.455 225 S N 2.220 118.137 115.700 0.361 0.000 2.595 225 S HA 0.660 5.131 4.470 0.000 0.000 0.281 225 S C -2.056 172.689 174.600 0.242 0.000 1.117 225 S CA -0.680 57.615 58.200 0.159 0.000 0.873 225 S CB 2.167 65.344 63.200 -0.039 0.000 1.108 225 S HN 0.444 nan 8.310 nan 0.000 0.477 226 L N 2.685 123.918 121.223 0.016 0.000 2.427 226 L HA 0.597 4.937 4.340 0.000 0.000 0.264 226 L C -1.321 175.581 176.870 0.053 0.000 0.989 226 L CA -0.332 54.597 54.840 0.149 0.000 0.865 226 L CB 0.999 43.092 42.059 0.057 0.000 1.209 226 L HN 0.487 nan 8.230 nan 0.000 0.430 227 V N 5.452 125.430 119.914 0.107 0.000 2.644 227 V HA 0.463 4.583 4.120 0.000 0.000 0.295 227 V C 0.276 176.428 176.094 0.096 0.000 1.053 227 V CA -0.426 61.940 62.300 0.111 0.000 0.987 227 V CB 1.733 33.685 31.823 0.215 0.000 1.006 227 V HN 0.528 nan 8.190 nan 0.000 0.472 228 I N 3.972 124.585 120.570 0.071 0.000 2.405 228 I HA 0.333 4.504 4.170 0.000 0.000 0.280 228 I C -0.688 175.471 176.117 0.069 0.000 1.027 228 I CA -0.506 60.847 61.300 0.088 0.000 1.161 228 I CB 1.499 39.581 38.000 0.137 0.000 1.300 228 I HN 0.272 nan 8.210 nan 0.000 0.463 229 V N 5.121 125.083 119.914 0.080 0.000 2.333 229 V HA 0.611 4.731 4.120 0.000 0.000 0.274 229 V C 0.151 176.307 176.094 0.103 0.000 1.028 229 V CA -0.039 62.281 62.300 0.034 0.000 0.851 229 V CB 1.098 32.953 31.823 0.053 0.000 1.000 229 V HN 0.842 nan 8.190 nan 0.000 0.456 230 T N 2.704 117.309 114.554 0.086 0.000 2.770 230 T HA 0.421 4.771 4.350 0.000 0.000 0.323 230 T C -0.420 174.350 174.700 0.117 0.000 1.683 230 T CA 0.125 62.325 62.100 0.166 0.000 1.024 230 T CB 1.881 70.876 68.868 0.212 0.000 1.557 230 T HN 0.879 nan 8.240 nan 0.000 0.494 231 T N 0.637 115.324 114.554 0.221 0.000 2.918 231 T HA 0.554 4.904 4.350 0.000 0.000 0.283 231 T C 1.065 175.815 174.700 0.082 0.000 1.001 231 T CA -0.467 61.694 62.100 0.102 0.000 1.041 231 T CB 0.594 69.531 68.868 0.115 0.000 1.028 231 T HN 0.405 nan 8.240 nan 0.000 0.511 232 F N 1.113 121.141 119.950 0.130 0.000 2.134 232 F HA -0.041 4.486 4.527 0.000 0.000 0.299 232 F C 2.675 178.526 175.800 0.085 0.000 1.097 232 F CA 1.091 59.160 58.000 0.114 0.000 1.264 232 F CB -1.031 38.015 39.000 0.076 0.000 1.001 232 F HN 0.428 nan 8.300 nan 0.000 0.479 233 V N -0.452 119.579 119.914 0.195 0.000 2.324 233 V HA -0.333 3.787 4.120 0.000 0.000 0.250 233 V C 2.413 178.549 176.094 0.071 0.000 1.060 233 V CA 2.169 64.506 62.300 0.062 0.000 1.042 233 V CB -0.881 30.896 31.823 -0.077 0.000 0.650 233 V HN 0.366 nan 8.190 nan 0.000 0.450 234 H N -1.464 117.753 119.070 0.245 0.000 2.307 234 H HA -0.095 4.461 4.556 0.000 0.000 0.303 234 H C 2.192 177.654 175.328 0.223 0.000 1.073 234 H CA 1.798 58.003 56.048 0.262 0.000 1.338 234 H CB -0.696 29.297 29.762 0.386 0.000 1.389 234 H HN 0.501 nan 8.280 nan 0.000 0.503 235 Y N 1.795 122.215 120.300 0.200 0.000 2.283 235 Y HA -0.289 4.261 4.550 0.000 0.000 0.285 235 Y C 2.515 178.440 175.900 0.041 0.000 1.176 235 Y CA 1.220 59.336 58.100 0.026 0.000 1.229 235 Y CB -0.371 37.882 38.460 -0.345 0.000 0.975 235 Y HN 0.203 nan 8.280 nan 0.000 0.537 236 A N 0.160 123.001 122.820 0.035 0.000 1.841 236 A HA -0.240 4.080 4.320 0.000 0.000 0.214 236 A C 2.148 179.650 177.584 -0.137 0.000 1.195 236 A CA 1.755 53.757 52.037 -0.060 0.000 0.611 236 A CB -1.156 17.844 19.000 -0.001 0.000 0.835 236 A HN 0.579 nan 8.150 nan 0.000 0.443 237 N N -1.611 116.963 118.700 -0.210 0.000 2.272 237 N HA -0.137 4.603 4.740 0.000 0.000 0.185 237 N C 1.170 176.452 175.510 -0.379 0.000 1.014 237 N CA 1.565 54.411 53.050 -0.341 0.000 0.870 237 N CB -0.314 37.693 38.487 -0.799 0.000 0.975 237 N HN 0.392 nan 8.380 nan 0.000 0.433 238 F N -0.616 119.122 119.950 -0.353 0.000 2.317 238 F HA 0.101 4.628 4.527 0.000 0.000 0.293 238 F C 2.364 177.757 175.800 -0.677 0.000 1.085 238 F CA 0.708 58.348 58.000 -0.599 0.000 1.390 238 F CB -0.571 38.246 39.000 -0.306 0.000 1.077 238 F HN 0.268 nan 8.300 nan 0.000 0.517 239 H N 0.398 119.196 119.070 -0.454 0.000 2.543 239 H HA -0.090 4.466 4.556 0.000 0.000 0.286 239 H C 1.399 176.551 175.328 -0.292 0.000 1.037 239 H CA 0.860 56.625 56.048 -0.471 0.000 1.250 239 H CB -0.066 29.336 29.762 -0.600 0.000 1.373 239 H HN 0.210 nan 8.280 nan 0.000 0.580 240 N N 0.247 118.840 118.700 -0.177 0.000 2.354 240 N HA -0.130 4.610 4.740 0.000 0.000 0.179 240 N C 0.768 176.278 175.510 0.000 0.000 1.021 240 N CA 1.199 54.222 53.050 -0.044 0.000 0.887 240 N CB 0.074 38.580 38.487 0.033 0.000 0.974 240 N HN 0.653 nan 8.380 nan 0.000 0.437 241 Y N -3.747 116.531 120.300 -0.037 0.000 2.666 241 Y HA 0.428 4.978 4.550 0.000 0.000 0.260 241 Y C -0.604 175.330 175.900 0.058 0.000 1.089 241 Y CA -1.036 57.048 58.100 -0.027 0.000 1.246 241 Y CB -0.225 38.200 38.460 -0.059 0.000 1.353 241 Y HN -0.206 nan 8.280 nan 0.000 0.558 242 F N 2.190 121.885 119.950 -0.426 0.000 2.771 242 F HA 0.686 5.213 4.527 0.000 0.000 0.365 242 F C -1.501 174.089 175.800 -0.350 0.000 1.169 242 F CA -2.005 55.806 58.000 -0.315 0.000 1.093 242 F CB 1.528 40.329 39.000 -0.332 0.000 1.363 242 F HN -0.171 nan 8.300 nan 0.000 0.496 243 V N 7.630 127.173 119.914 -0.618 0.000 2.260 243 V HA 0.294 4.414 4.120 0.000 0.000 0.263 243 V C -2.001 173.767 176.094 -0.543 0.000 1.036 243 V CA -1.241 60.692 62.300 -0.612 0.000 0.874 243 V CB 0.386 31.937 31.823 -0.453 0.000 1.116 243 V HN 0.550 nan 8.190 nan 0.000 0.454 244 P HA 0.068 nan 4.420 nan 0.000 0.269 244 P C -0.100 177.090 177.300 -0.183 0.000 1.209 244 P CA -0.090 62.720 63.100 -0.484 0.000 0.776 244 P CB 0.932 32.280 31.700 -0.586 0.000 0.876 245 N N 2.523 121.191 118.700 -0.054 0.000 3.303 245 N HA 0.044 4.784 4.740 0.000 0.000 0.304 245 N C 1.403 176.955 175.510 0.069 0.000 1.302 245 N CA -0.118 52.940 53.050 0.013 0.000 1.213 245 N CB -0.633 37.880 38.487 0.042 0.000 1.481 245 N HN 0.352 nan 8.380 nan 0.000 0.546 246 L N 0.586 121.843 121.223 0.058 0.000 2.151 246 L HA -0.348 3.992 4.340 0.000 0.000 0.219 246 L C 2.256 179.227 176.870 0.167 0.000 1.083 246 L CA 1.642 56.550 54.840 0.113 0.000 0.782 246 L CB -0.390 41.707 42.059 0.063 0.000 0.891 246 L HN 0.362 nan 8.230 nan 0.000 0.439 247 K N 0.049 120.524 120.400 0.126 0.000 1.971 247 K HA -0.210 4.111 4.320 0.000 0.000 0.221 247 K C 1.783 178.495 176.600 0.186 0.000 1.050 247 K CA 2.074 58.451 56.287 0.150 0.000 0.967 247 K CB -0.452 32.108 32.500 0.100 0.000 0.733 247 K HN 0.271 nan 8.250 nan 0.000 0.445 248 D N 0.628 121.108 120.400 0.132 0.000 2.117 248 D HA -0.177 4.463 4.640 0.000 0.000 0.197 248 D C 1.804 178.181 176.300 0.128 0.000 0.987 248 D CA 1.101 55.165 54.000 0.107 0.000 0.829 248 D CB -0.247 40.601 40.800 0.080 0.000 0.961 248 D HN 0.195 nan 8.370 nan 0.000 0.460 249 M N -0.668 119.039 119.600 0.178 0.000 2.202 249 M HA -0.200 4.280 4.480 0.000 0.000 0.262 249 M C 1.844 178.280 176.300 0.226 0.000 1.063 249 M CA 1.292 56.730 55.300 0.230 0.000 1.097 249 M CB -0.019 32.748 32.600 0.279 0.000 1.382 249 M HN 0.016 nan 8.290 nan 0.000 0.413 250 F N 0.156 120.160 119.950 0.089 0.000 2.118 250 F HA -0.058 4.469 4.527 0.000 0.000 0.293 250 F C 2.271 178.078 175.800 0.013 0.000 1.102 250 F CA 1.755 59.795 58.000 0.067 0.000 1.247 250 F CB -0.747 38.334 39.000 0.136 0.000 1.017 250 F HN 0.105 nan 8.300 nan 0.000 0.475 251 S N 0.772 116.479 115.700 0.011 0.000 2.359 251 S HA -0.288 4.182 4.470 0.000 0.000 0.222 251 S C 2.138 176.620 174.600 -0.196 0.000 1.038 251 S CA 1.728 59.860 58.200 -0.113 0.000 1.051 251 S CB -0.625 62.589 63.200 0.024 0.000 0.944 251 S HN 0.350 nan 8.310 nan 0.000 0.433 252 R N 0.912 121.339 120.500 -0.121 0.000 2.139 252 R HA -0.084 4.256 4.340 0.000 0.000 0.243 252 R C 2.093 178.269 176.300 -0.207 0.000 1.145 252 R CA 1.210 57.234 56.100 -0.127 0.000 0.976 252 R CB -0.350 29.867 30.300 -0.138 0.000 0.866 252 R HN 0.425 nan 8.270 nan 0.000 0.449 253 A N -0.640 121.954 122.820 -0.377 0.000 2.206 253 A HA 0.049 4.369 4.320 0.000 0.000 0.211 253 A C 1.636 178.772 177.584 -0.747 0.000 1.158 253 A CA 0.568 52.099 52.037 -0.845 0.000 0.761 253 A CB 0.374 18.813 19.000 -0.935 0.000 0.801 253 A HN 0.178 nan 8.150 nan 0.000 0.473 254 V N -0.895 118.685 119.914 -0.556 0.000 2.840 254 V HA 0.007 4.127 4.120 0.000 0.000 0.234 254 V C 1.381 177.302 176.094 -0.289 0.000 1.159 254 V CA 1.436 63.440 62.300 -0.493 0.000 1.194 254 V CB -0.357 31.111 31.823 -0.591 0.000 0.971 254 V HN 0.561 nan 8.190 nan 0.000 0.494 255 T N 0.402 114.830 114.554 -0.210 0.000 3.414 255 T HA 0.644 4.994 4.350 0.000 0.000 0.304 255 T C -0.578 174.073 174.700 -0.083 0.000 1.241 255 T CA 0.125 62.163 62.100 -0.104 0.000 1.076 255 T CB -0.106 68.724 68.868 -0.063 0.000 1.134 255 T HN 0.291 nan 8.240 nan 0.000 0.759 256 M N 2.756 122.315 119.600 -0.068 0.000 2.363 256 M HA 0.195 4.676 4.480 0.000 0.000 0.256 256 M C -0.230 176.090 176.300 0.032 0.000 1.005 256 M CA -0.287 55.008 55.300 -0.009 0.000 0.890 256 M CB 1.761 34.367 32.600 0.010 0.000 2.101 256 M HN 0.577 nan 8.290 nan 0.000 0.476 257 T N 2.624 117.233 114.554 0.091 0.000 2.939 257 T HA 0.330 4.680 4.350 0.000 0.000 0.319 257 T C 1.225 176.028 174.700 0.172 0.000 1.082 257 T CA 0.978 63.180 62.100 0.170 0.000 1.133 257 T CB 0.935 69.935 68.868 0.220 0.000 1.019 257 T HN 0.840 nan 8.240 nan 0.000 0.548 258 A N 4.936 127.894 122.820 0.230 0.000 1.869 258 A HA -0.024 4.296 4.320 0.000 0.000 0.218 258 A C 2.785 180.394 177.584 0.040 0.000 1.203 258 A CA 2.729 54.852 52.037 0.143 0.000 0.638 258 A CB -1.682 17.450 19.000 0.220 0.000 0.831 258 A HN 1.435 nan 8.150 nan 0.000 0.450 259 A N -0.932 121.836 122.820 -0.088 0.000 1.892 259 A HA -0.151 4.169 4.320 0.000 0.000 0.218 259 A C 2.479 180.063 177.584 -0.001 0.000 1.188 259 A CA 2.464 54.422 52.037 -0.130 0.000 0.631 259 A CB -1.067 17.799 19.000 -0.222 0.000 0.822 259 A HN 0.516 nan 8.150 nan 0.000 0.447 260 S N -1.917 113.819 115.700 0.061 0.000 2.348 260 S HA -0.172 4.298 4.470 0.000 0.000 0.221 260 S C 1.864 176.551 174.600 0.145 0.000 1.033 260 S CA 1.508 59.766 58.200 0.097 0.000 1.010 260 S CB -0.594 62.667 63.200 0.102 0.000 0.891 260 S HN 0.657 nan 8.310 nan 0.000 0.442 261 Y N 2.414 122.738 120.300 0.039 0.000 2.207 261 Y HA -0.203 4.347 4.550 0.000 0.000 0.287 261 Y C 2.430 178.387 175.900 0.095 0.000 1.156 261 Y CA 0.881 59.030 58.100 0.082 0.000 1.182 261 Y CB -0.816 37.655 38.460 0.018 0.000 0.979 261 Y HN 0.225 nan 8.280 nan 0.000 0.521 262 A N 0.194 123.056 122.820 0.069 0.000 1.908 262 A HA -0.265 4.055 4.320 0.000 0.000 0.218 262 A C 2.345 179.875 177.584 -0.089 0.000 1.181 262 A CA 2.130 54.128 52.037 -0.066 0.000 0.627 262 A CB -0.779 18.142 19.000 -0.130 0.000 0.818 262 A HN 0.538 nan 8.150 nan 0.000 0.445 263 R N -2.067 118.417 120.500 -0.027 0.000 2.093 263 R HA -0.128 4.212 4.340 0.000 0.000 0.224 263 R C 2.082 178.362 176.300 -0.032 0.000 1.101 263 R CA 1.513 57.606 56.100 -0.011 0.000 0.979 263 R CB -0.578 29.751 30.300 0.047 0.000 0.877 263 R HN 0.592 nan 8.270 nan 0.000 0.441 264 Y N 0.474 120.703 120.300 -0.118 0.000 2.193 264 Y HA -0.230 4.320 4.550 0.000 0.000 0.285 264 Y C 1.639 177.432 175.900 -0.178 0.000 1.166 264 Y CA 1.806 59.822 58.100 -0.140 0.000 1.181 264 Y CB -0.365 37.986 38.460 -0.182 0.000 0.976 264 Y HN -0.090 nan 8.280 nan 0.000 0.520 265 V N 0.036 119.639 119.914 -0.517 0.000 2.346 265 V HA -0.225 3.896 4.120 0.000 0.000 0.244 265 V C 2.402 178.317 176.094 -0.297 0.000 1.037 265 V CA 1.513 63.497 62.300 -0.525 0.000 1.029 265 V CB -0.846 30.770 31.823 -0.346 0.000 0.663 265 V HN 0.484 nan 8.190 nan 0.000 0.454 266 L N 0.048 121.160 121.223 -0.185 0.000 2.043 266 L HA -0.271 4.070 4.340 0.000 0.000 0.212 266 L C 2.510 179.316 176.870 -0.107 0.000 1.075 266 L CA 2.078 56.855 54.840 -0.104 0.000 0.752 266 L CB -0.517 41.511 42.059 -0.052 0.000 0.891 266 L HN 0.369 nan 8.230 nan 0.000 0.432 267 Q N -0.923 118.797 119.800 -0.133 0.000 2.046 267 Q HA -0.235 4.105 4.340 0.000 0.000 0.200 267 Q C 2.327 178.244 176.000 -0.137 0.000 0.975 267 Q CA 1.598 57.337 55.803 -0.107 0.000 0.836 267 Q CB -0.203 28.488 28.738 -0.077 0.000 0.896 267 Q HN 0.467 nan 8.270 nan 0.000 0.428 268 K N 0.618 120.868 120.400 -0.250 0.000 2.113 268 K HA -0.154 4.166 4.320 0.000 0.000 0.208 268 K C 2.040 178.565 176.600 -0.125 0.000 1.047 268 K CA 1.014 57.164 56.287 -0.230 0.000 0.928 268 K CB -0.057 32.206 32.500 -0.393 0.000 0.716 268 K HN 0.186 nan 8.250 nan 0.000 0.446 269 L N 0.100 121.252 121.223 -0.118 0.000 2.027 269 L HA -0.172 4.168 4.340 0.000 0.000 0.206 269 L C 2.310 179.135 176.870 -0.075 0.000 1.074 269 L CA 0.799 55.593 54.840 -0.077 0.000 0.745 269 L CB -0.545 41.467 42.059 -0.079 0.000 0.898 269 L HN -0.004 nan 8.230 nan 0.000 0.433 270 V N 0.446 120.318 119.914 -0.070 0.000 2.324 270 V HA -0.334 3.786 4.120 0.000 0.000 0.250 270 V C 2.490 178.562 176.094 -0.038 0.000 1.060 270 V CA 2.035 64.302 62.300 -0.054 0.000 1.042 270 V CB -0.553 31.249 31.823 -0.034 0.000 0.650 270 V HN 0.359 nan 8.190 nan 0.000 0.450 271 L N -0.402 120.802 121.223 -0.032 0.000 1.970 271 L HA -0.182 4.158 4.340 0.000 0.000 0.212 271 L C 2.230 179.093 176.870 -0.012 0.000 1.071 271 L CA 2.024 56.857 54.840 -0.013 0.000 0.751 271 L CB -0.613 41.437 42.059 -0.015 0.000 0.889 271 L HN 0.171 nan 8.230 nan 0.000 0.432 272 L N -0.020 121.194 121.223 -0.016 0.000 2.127 272 L HA -0.234 4.106 4.340 0.000 0.000 0.211 272 L C 2.598 179.457 176.870 -0.018 0.000 1.089 272 L CA 1.875 56.715 54.840 -0.001 0.000 0.757 272 L CB -0.905 41.169 42.059 0.025 0.000 0.899 272 L HN 0.485 nan 8.230 nan 0.000 0.434 273 E N -0.691 119.480 120.200 -0.048 0.000 2.047 273 E HA -0.224 4.126 4.350 0.000 0.000 0.191 273 E C 2.219 178.793 176.600 -0.044 0.000 0.987 273 E CA 1.149 57.508 56.400 -0.068 0.000 0.799 273 E CB -0.077 29.564 29.700 -0.098 0.000 0.752 273 E HN 0.443 nan 8.360 nan 0.000 0.449 274 M N 0.074 119.658 119.600 -0.025 0.000 2.460 274 M HA -0.098 4.382 4.480 0.000 0.000 0.263 274 M C 1.541 177.843 176.300 0.004 0.000 1.071 274 M CA 1.024 56.322 55.300 -0.003 0.000 1.096 274 M CB 0.124 32.739 32.600 0.024 0.000 1.408 274 M HN -0.103 nan 8.290 nan 0.000 0.463 275 K N -0.100 120.301 120.400 0.001 0.000 2.417 275 K HA 0.149 4.470 4.320 0.000 0.000 0.196 275 K C 1.102 177.704 176.600 0.002 0.000 1.023 275 K CA 0.409 56.700 56.287 0.006 0.000 1.122 275 K CB 0.196 32.701 32.500 0.009 0.000 0.850 275 K HN 0.486 nan 8.250 nan 0.000 0.521 276 G N 0.900 109.697 108.800 -0.005 0.000 2.189 276 G HA2 -0.302 3.658 3.960 0.000 0.000 0.267 276 G HA3 -0.302 3.658 3.960 0.000 0.000 0.267 276 G C 0.812 175.713 174.900 0.003 0.000 0.975 276 G CA 0.281 45.377 45.100 -0.006 0.000 0.644 276 G HN 0.478 nan 8.290 nan 0.000 0.537 277 G N -0.814 107.993 108.800 0.013 0.000 2.740 277 G HA2 0.084 4.045 3.960 0.000 0.000 0.208 277 G HA3 0.084 4.045 3.960 0.000 0.000 0.208 277 G C 1.227 176.175 174.900 0.080 0.000 1.148 277 G CA 1.476 46.606 45.100 0.049 0.000 0.795 277 G HN 0.746 nan 8.290 nan 0.000 0.526 278 c N -0.834 117.771 118.600 0.009 0.000 2.974 278 c HA 0.417 4.987 4.570 0.000 0.000 0.282 278 c C 1.967 176.060 174.090 0.004 0.000 1.292 278 c CA -0.376 55.934 56.329 -0.031 0.000 1.710 278 c CB -0.543 41.893 42.510 -0.124 0.000 2.036 278 c HN 0.540 nan 8.230 nan 0.000 0.629 279 R N -0.361 120.151 120.500 0.020 0.000 2.637 279 R HA 0.110 4.450 4.340 0.000 0.000 0.262 279 R C -0.048 176.264 176.300 0.019 0.000 0.959 279 R CA 0.111 56.221 56.100 0.016 0.000 1.061 279 R CB 0.414 30.713 30.300 -0.001 0.000 1.610 279 R HN 0.192 nan 8.270 nan 0.000 0.548 280 E N 1.367 121.580 120.200 0.021 0.000 4.044 280 E HA 0.216 4.566 4.350 0.000 0.000 0.216 280 E C -2.613 173.993 176.600 0.011 0.000 1.104 280 E CA -1.743 54.660 56.400 0.006 0.000 1.383 280 E CB 1.380 31.077 29.700 -0.005 0.000 1.195 280 E HN -0.023 nan 8.360 nan 0.000 0.442 281 P HA -0.112 nan 4.420 nan 0.000 0.242 281 P C -0.096 177.164 177.300 -0.067 0.000 1.116 281 P CA 0.552 63.677 63.100 0.041 0.000 0.954 281 P CB 0.018 31.743 31.700 0.042 0.000 0.908 282 E N 2.803 122.969 120.200 -0.057 0.000 2.324 282 E HA 0.107 4.457 4.350 0.000 0.000 0.271 282 E C -0.136 176.352 176.600 -0.187 0.000 1.028 282 E CA -0.034 56.302 56.400 -0.106 0.000 0.890 282 E CB 0.173 29.838 29.700 -0.057 0.000 1.004 282 E HN 0.350 nan 8.360 nan 0.000 0.431 283 L N 5.560 126.614 121.223 -0.282 0.000 2.423 283 L HA 0.212 4.552 4.340 0.000 0.000 0.249 283 L C -0.490 176.236 176.870 -0.239 0.000 1.276 283 L CA -0.296 54.284 54.840 -0.433 0.000 1.199 283 L CB -0.676 40.967 42.059 -0.693 0.000 1.407 283 L HN 0.554 nan 8.230 nan 0.000 0.410 284 D N -2.748 117.588 120.400 -0.106 0.000 2.497 284 D HA 0.298 4.938 4.640 0.000 0.000 0.243 284 D C 1.276 177.639 176.300 0.105 0.000 1.039 284 D CA -0.262 53.753 54.000 0.024 0.000 1.052 284 D CB 0.698 41.502 40.800 0.006 0.000 1.344 284 D HN 0.099 nan 8.370 nan 0.000 0.553 285 T N -2.560 112.081 114.554 0.146 0.000 2.635 285 T HA -0.299 4.051 4.350 0.000 0.000 0.267 285 T C 1.516 176.320 174.700 0.174 0.000 1.040 285 T CA 1.761 63.981 62.100 0.200 0.000 1.156 285 T CB -0.677 68.206 68.868 0.025 0.000 0.863 285 T HN 0.619 nan 8.240 nan 0.000 0.430 286 E N 0.923 121.179 120.200 0.094 0.000 2.023 286 E HA -0.197 4.153 4.350 0.000 0.000 0.196 286 E C 2.348 179.000 176.600 0.087 0.000 1.003 286 E CA 1.919 58.369 56.400 0.083 0.000 0.809 286 E CB -0.509 29.221 29.700 0.051 0.000 0.755 286 E HN 0.580 nan 8.360 nan 0.000 0.449 287 T N 1.189 115.775 114.554 0.054 0.000 2.720 287 T HA -0.172 4.179 4.350 0.000 0.000 0.268 287 T C 1.819 176.525 174.700 0.010 0.000 1.037 287 T CA 1.208 63.329 62.100 0.035 0.000 1.144 287 T CB -0.224 68.628 68.868 -0.027 0.000 0.864 287 T HN 0.068 nan 8.240 nan 0.000 0.444 288 L N 0.691 121.902 121.223 -0.021 0.000 2.093 288 L HA -0.039 4.302 4.340 0.000 0.000 0.208 288 L C 2.787 179.709 176.870 0.086 0.000 1.085 288 L CA 1.586 56.341 54.840 -0.141 0.000 0.755 288 L CB -1.039 40.726 42.059 -0.491 0.000 0.904 288 L HN 0.235 nan 8.230 nan 0.000 0.435 289 T N -1.332 113.395 114.554 0.289 0.000 2.652 289 T HA -0.229 4.121 4.350 0.000 0.000 0.267 289 T C 1.878 176.741 174.700 0.271 0.000 1.039 289 T CA 2.166 64.484 62.100 0.363 0.000 1.153 289 T CB -0.581 68.455 68.868 0.279 0.000 0.863 289 T HN 0.622 nan 8.240 nan 0.000 0.428 290 T N 1.368 116.021 114.554 0.166 0.000 2.685 290 T HA -0.217 4.133 4.350 0.000 0.000 0.268 290 T C 2.010 176.794 174.700 0.140 0.000 1.034 290 T CA 1.550 63.715 62.100 0.107 0.000 1.149 290 T CB -0.730 68.180 68.868 0.069 0.000 0.860 290 T HN 0.290 nan 8.240 nan 0.000 0.449 291 M N 0.145 119.825 119.600 0.134 0.000 2.082 291 M HA 0.009 4.489 4.480 0.000 0.000 0.258 291 M C 2.163 178.568 176.300 0.174 0.000 1.071 291 M CA 2.301 57.666 55.300 0.109 0.000 1.103 291 M CB -0.713 31.812 32.600 -0.124 0.000 1.307 291 M HN 0.301 nan 8.290 nan 0.000 0.409 292 F N 1.471 121.388 119.950 -0.055 0.000 2.126 292 F HA -0.220 4.308 4.527 0.000 0.000 0.299 292 F C 2.159 178.109 175.800 0.250 0.000 1.096 292 F CA 1.848 59.922 58.000 0.125 0.000 1.255 292 F CB -0.445 38.640 39.000 0.141 0.000 0.997 292 F HN 0.202 nan 8.300 nan 0.000 0.479 293 E N -0.403 119.859 120.200 0.103 0.000 2.150 293 E HA -0.155 4.195 4.350 0.000 0.000 0.193 293 E C 2.382 179.042 176.600 0.101 0.000 0.985 293 E CA 1.313 57.752 56.400 0.065 0.000 0.814 293 E CB -0.418 29.353 29.700 0.119 0.000 0.752 293 E HN 0.331 nan 8.360 nan 0.000 0.466 294 V N 1.780 121.775 119.914 0.135 0.000 2.407 294 V HA -0.256 3.864 4.120 0.000 0.000 0.248 294 V C 2.541 178.819 176.094 0.307 0.000 1.055 294 V CA 2.156 64.576 62.300 0.200 0.000 1.049 294 V CB -0.456 31.502 31.823 0.225 0.000 0.662 294 V HN 0.364 nan 8.190 nan 0.000 0.455 295 S N -0.835 115.017 115.700 0.252 0.000 2.414 295 S HA -0.075 4.396 4.470 0.000 0.000 0.227 295 S C 1.885 176.627 174.600 0.237 0.000 1.022 295 S CA 1.126 59.465 58.200 0.230 0.000 0.958 295 S CB -0.138 63.182 63.200 0.200 0.000 0.797 295 S HN 0.315 nan 8.310 nan 0.000 0.493 296 V N 2.515 122.480 119.914 0.086 0.000 2.515 296 V HA -0.074 4.046 4.120 0.000 0.000 0.250 296 V C 3.089 179.364 176.094 0.301 0.000 1.058 296 V CA 1.504 63.864 62.300 0.100 0.000 1.064 296 V CB -1.450 30.244 31.823 -0.215 0.000 0.675 296 V HN 0.645 nan 8.190 nan 0.000 0.461 297 A N -0.395 122.683 122.820 0.431 0.000 1.902 297 A HA -0.187 4.133 4.320 0.000 0.000 0.217 297 A C 2.034 179.707 177.584 0.148 0.000 1.181 297 A CA 1.810 54.072 52.037 0.376 0.000 0.623 297 A CB -0.673 18.443 19.000 0.194 0.000 0.818 297 A HN 0.465 nan 8.150 nan 0.000 0.443 298 F N -1.640 118.374 119.950 0.107 0.000 2.206 298 F HA -0.032 4.495 4.527 0.000 0.000 0.298 298 F C 1.978 177.855 175.800 0.128 0.000 1.090 298 F CA 1.366 59.396 58.000 0.050 0.000 1.323 298 F CB -0.500 38.520 39.000 0.033 0.000 1.028 298 F HN 0.366 nan 8.300 nan 0.000 0.492 299 F N 1.207 121.302 119.950 0.241 0.000 2.102 299 F HA -0.171 4.356 4.527 0.000 0.000 0.298 299 F C 2.297 178.232 175.800 0.224 0.000 1.105 299 F CA 1.525 59.660 58.000 0.225 0.000 1.239 299 F CB -0.579 38.537 39.000 0.193 0.000 0.991 299 F HN -0.283 nan 8.300 nan 0.000 0.474 300 K N 0.558 120.911 120.400 -0.078 0.000 2.059 300 K HA -0.169 4.151 4.320 0.000 0.000 0.212 300 K C 2.223 178.789 176.600 -0.057 0.000 1.050 300 K CA 1.803 57.986 56.287 -0.173 0.000 0.927 300 K CB -1.056 31.400 32.500 -0.072 0.000 0.714 300 K HN 0.288 nan 8.250 nan 0.000 0.447 301 V N 0.344 120.250 119.914 -0.013 0.000 2.343 301 V HA -0.206 3.914 4.120 0.000 0.000 0.247 301 V C 2.472 178.629 176.094 0.105 0.000 1.051 301 V CA 2.217 64.526 62.300 0.016 0.000 1.036 301 V CB -1.000 30.693 31.823 -0.216 0.000 0.654 301 V HN 0.460 nan 8.190 nan 0.000 0.451 302 G N -1.589 107.301 108.800 0.151 0.000 2.408 302 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 302 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 302 G C 1.554 176.584 174.900 0.217 0.000 1.150 302 G CA 0.823 46.135 45.100 0.353 0.000 0.776 302 G HN 0.611 nan 8.290 nan 0.000 0.542 303 H N 0.692 119.691 119.070 -0.118 0.000 2.495 303 H HA 0.167 4.723 4.556 0.000 0.000 0.287 303 H C 2.601 177.876 175.328 -0.087 0.000 1.033 303 H CA 0.864 56.785 56.048 -0.212 0.000 1.307 303 H CB 0.236 29.615 29.762 -0.639 0.000 1.401 303 H HN 0.345 nan 8.280 nan 0.000 0.555 304 A N 0.326 123.133 122.820 -0.022 0.000 1.840 304 A HA -0.076 4.244 4.320 0.000 0.000 0.214 304 A C 2.594 180.150 177.584 -0.046 0.000 1.198 304 A CA 1.238 53.259 52.037 -0.025 0.000 0.608 304 A CB -0.823 18.255 19.000 0.129 0.000 0.839 304 A HN 0.250 nan 8.150 nan 0.000 0.443 305 V N 0.308 120.258 119.914 0.059 0.000 2.867 305 V HA -0.136 3.984 4.120 0.000 0.000 0.260 305 V C 2.555 178.639 176.094 -0.016 0.000 1.099 305 V CA 1.600 63.938 62.300 0.062 0.000 1.122 305 V CB -1.321 30.609 31.823 0.178 0.000 0.708 305 V HN 0.622 nan 8.190 nan 0.000 0.490 306 G N -0.444 108.311 108.800 -0.075 0.000 2.404 306 G HA2 -0.128 3.832 3.960 0.000 0.000 0.213 306 G HA3 -0.128 3.832 3.960 0.000 0.000 0.213 306 G C 1.429 176.224 174.900 -0.175 0.000 1.189 306 G CA 0.286 45.303 45.100 -0.138 0.000 0.796 306 G HN 0.447 nan 8.290 nan 0.000 0.532 307 E N 0.886 120.930 120.200 -0.260 0.000 2.097 307 E HA -0.127 4.223 4.350 0.000 0.000 0.196 307 E C 1.928 178.444 176.600 -0.140 0.000 1.000 307 E CA 1.530 57.795 56.400 -0.225 0.000 0.804 307 E CB -0.729 28.823 29.700 -0.248 0.000 0.740 307 E HN 0.519 nan 8.360 nan 0.000 0.454 308 T N -0.519 113.960 114.554 -0.125 0.000 3.783 308 T HA 0.437 4.787 4.350 0.000 0.000 0.262 308 T C 0.549 175.206 174.700 -0.071 0.000 1.381 308 T CA -0.188 61.854 62.100 -0.096 0.000 1.155 308 T CB 0.047 68.853 68.868 -0.104 0.000 1.256 308 T HN 0.043 nan 8.240 nan 0.000 0.807 309 G N 1.548 110.307 108.800 -0.068 0.000 2.441 309 G HA2 0.273 4.233 3.960 0.000 0.000 0.243 309 G HA3 0.273 4.233 3.960 0.000 0.000 0.243 309 G C 0.620 175.495 174.900 -0.041 0.000 1.281 309 G CA -0.699 44.370 45.100 -0.052 0.000 0.854 309 G HN 0.594 nan 8.290 nan 0.000 0.560 310 N N -0.093 118.587 118.700 -0.032 0.000 2.714 310 N HA -0.173 4.567 4.740 0.000 0.000 0.250 310 N C 0.923 176.416 175.510 -0.028 0.000 1.117 310 N CA 1.303 54.337 53.050 -0.026 0.000 0.719 310 N CB -1.105 37.367 38.487 -0.024 0.000 1.081 310 N HN 0.883 nan 8.380 nan 0.000 0.557 311 G N -0.992 107.789 108.800 -0.033 0.000 2.940 311 G HA2 0.609 4.570 3.960 0.000 0.000 0.164 311 G HA3 0.609 4.570 3.960 0.000 0.000 0.164 311 G C -0.723 174.160 174.900 -0.029 0.000 1.326 311 G CA 0.151 45.229 45.100 -0.037 0.000 1.020 311 G HN 0.395 nan 8.290 nan 0.000 0.586 312 c N 0.301 118.881 118.600 -0.034 0.000 2.716 312 c HA 0.551 5.121 4.570 0.000 0.000 0.366 312 c C -0.392 173.683 174.090 -0.024 0.000 1.073 312 c CA -0.758 55.559 56.329 -0.020 0.000 1.260 312 c CB 0.303 42.804 42.510 -0.015 0.000 1.755 312 c HN 0.795 nan 8.230 nan 0.000 0.475 313 V N 2.753 122.670 119.914 0.004 0.000 2.432 313 V HA 0.466 4.587 4.120 0.000 0.000 0.275 313 V C 0.164 176.308 176.094 0.083 0.000 1.043 313 V CA -0.162 62.152 62.300 0.024 0.000 0.925 313 V CB 1.315 33.202 31.823 0.105 0.000 0.985 313 V HN 0.868 nan 8.190 nan 0.000 0.466 314 D N 3.015 123.469 120.400 0.090 0.000 2.455 314 D HA 0.023 4.663 4.640 0.000 0.000 0.241 314 D C 0.763 177.188 176.300 0.208 0.000 1.138 314 D CA -0.123 53.952 54.000 0.124 0.000 0.877 314 D CB 1.284 42.151 40.800 0.112 0.000 1.187 314 D HN 0.602 nan 8.370 nan 0.000 0.451 315 L N 4.415 125.740 121.223 0.168 0.000 2.191 315 L HA -0.092 4.248 4.340 0.000 0.000 0.212 315 L C 2.041 179.111 176.870 0.333 0.000 1.103 315 L CA 1.617 56.584 54.840 0.211 0.000 0.769 315 L CB -0.276 41.903 42.059 0.200 0.000 0.908 315 L HN 0.474 nan 8.230 nan 0.000 0.438 316 R N -1.530 119.157 120.500 0.311 0.000 2.092 316 R HA -0.216 4.124 4.340 0.000 0.000 0.231 316 R C 2.162 178.645 176.300 0.306 0.000 1.119 316 R CA 1.675 57.984 56.100 0.347 0.000 0.970 316 R CB -0.782 29.545 30.300 0.045 0.000 0.864 316 R HN 0.601 nan 8.270 nan 0.000 0.440 317 W N 2.211 123.589 121.300 0.130 0.000 2.355 317 W HA -0.175 4.486 4.660 0.000 0.000 0.309 317 W C 1.466 178.082 176.519 0.163 0.000 1.206 317 W CA 1.393 58.811 57.345 0.120 0.000 1.284 317 W CB -0.229 29.284 29.460 0.089 0.000 1.145 317 W HN 0.045 nan 8.180 nan 0.000 0.502 318 L N 1.237 122.592 121.223 0.220 0.000 1.994 318 L HA -0.174 4.166 4.340 0.000 0.000 0.208 318 L C 2.920 179.853 176.870 0.106 0.000 1.071 318 L CA 1.566 56.515 54.840 0.181 0.000 0.745 318 L CB -1.754 40.390 42.059 0.142 0.000 0.892 318 L HN -0.075 nan 8.230 nan 0.000 0.431 319 A N -0.081 122.788 122.820 0.081 0.000 2.032 319 A HA -0.269 4.051 4.320 0.000 0.000 0.221 319 A C 2.444 180.042 177.584 0.023 0.000 1.165 319 A CA 2.217 54.260 52.037 0.010 0.000 0.645 319 A CB -0.446 18.494 19.000 -0.099 0.000 0.807 319 A HN 0.418 nan 8.150 nan 0.000 0.453 320 K N -1.206 119.192 120.400 -0.003 0.000 2.121 320 K HA 0.029 4.349 4.320 0.000 0.000 0.203 320 K C 2.255 178.803 176.600 -0.086 0.000 1.041 320 K CA 1.012 57.278 56.287 -0.036 0.000 0.969 320 K CB -0.047 32.396 32.500 -0.095 0.000 0.799 320 K HN 0.393 nan 8.250 nan 0.000 0.456 321 S N 0.756 116.255 115.700 -0.336 0.000 2.348 321 S HA -0.082 4.388 4.470 0.000 0.000 0.221 321 S C 1.622 176.090 174.600 -0.221 0.000 1.033 321 S CA 1.297 59.249 58.200 -0.413 0.000 1.010 321 S CB -0.371 62.396 63.200 -0.722 0.000 0.891 321 S HN 0.263 nan 8.310 nan 0.000 0.442 322 F N 0.688 120.534 119.950 -0.173 0.000 2.408 322 F HA -0.015 4.512 4.527 0.000 0.000 0.300 322 F C 1.781 177.527 175.800 -0.091 0.000 1.090 322 F CA 0.595 58.526 58.000 -0.115 0.000 1.427 322 F CB -0.262 38.706 39.000 -0.052 0.000 1.070 322 F HN 0.216 nan 8.300 nan 0.000 0.549 323 F N 1.215 121.137 119.950 -0.047 0.000 2.098 323 F HA -0.118 4.409 4.527 0.000 0.000 0.294 323 F C 2.301 178.003 175.800 -0.163 0.000 1.107 323 F CA 1.435 59.372 58.000 -0.105 0.000 1.234 323 F CB -0.557 38.377 39.000 -0.110 0.000 1.002 323 F HN -0.202 nan 8.300 nan 0.000 0.472 324 E N 0.897 120.885 120.200 -0.354 0.000 2.219 324 E HA -0.206 4.145 4.350 0.000 0.000 0.198 324 E C 2.402 178.727 176.600 -0.459 0.000 0.998 324 E CA 1.278 57.418 56.400 -0.432 0.000 0.818 324 E CB -0.567 29.013 29.700 -0.200 0.000 0.741 324 E HN 0.502 nan 8.360 nan 0.000 0.477 325 L N 0.278 121.218 121.223 -0.472 0.000 2.095 325 L HA -0.100 4.240 4.340 0.000 0.000 0.204 325 L C 2.476 179.156 176.870 -0.317 0.000 1.080 325 L CA 1.221 55.714 54.840 -0.578 0.000 0.759 325 L CB -0.543 41.049 42.059 -0.777 0.000 0.914 325 L HN 0.079 nan 8.230 nan 0.000 0.439 326 T N -0.574 113.813 114.554 -0.278 0.000 2.708 326 T HA -0.220 4.130 4.350 0.000 0.000 0.266 326 T C 1.883 176.398 174.700 -0.307 0.000 1.037 326 T CA 1.600 63.581 62.100 -0.198 0.000 1.146 326 T CB -0.368 68.399 68.868 -0.170 0.000 0.865 326 T HN 0.175 nan 8.240 nan 0.000 0.435 327 V N 1.182 120.749 119.914 -0.579 0.000 2.407 327 V HA -0.073 4.047 4.120 0.000 0.000 0.248 327 V C 2.231 178.164 176.094 -0.268 0.000 1.055 327 V CA 1.426 63.361 62.300 -0.609 0.000 1.049 327 V CB -0.480 30.799 31.823 -0.905 0.000 0.662 327 V HN 0.377 nan 8.190 nan 0.000 0.455 328 L N 0.809 121.900 121.223 -0.219 0.000 2.027 328 L HA -0.125 4.215 4.340 0.000 0.000 0.206 328 L C 2.537 179.435 176.870 0.046 0.000 1.074 328 L CA 2.669 57.469 54.840 -0.066 0.000 0.745 328 L CB -0.975 41.042 42.059 -0.070 0.000 0.898 328 L HN 0.400 nan 8.230 nan 0.000 0.433 329 K N -0.744 119.723 120.400 0.111 0.000 2.113 329 K HA -0.224 4.096 4.320 0.000 0.000 0.208 329 K C 1.631 178.253 176.600 0.036 0.000 1.047 329 K CA 1.889 58.260 56.287 0.140 0.000 0.928 329 K CB -0.223 32.382 32.500 0.174 0.000 0.716 329 K HN 0.454 nan 8.250 nan 0.000 0.446 330 D N 0.935 121.326 120.400 -0.014 0.000 2.084 330 D HA -0.175 4.465 4.640 0.000 0.000 0.196 330 D C 1.961 178.244 176.300 -0.028 0.000 0.985 330 D CA 1.170 55.154 54.000 -0.027 0.000 0.826 330 D CB -0.202 40.569 40.800 -0.048 0.000 0.978 330 D HN 0.326 nan 8.370 nan 0.000 0.456 331 I N 0.915 121.465 120.570 -0.033 0.000 2.286 331 I HA -0.229 3.941 4.170 0.000 0.000 0.248 331 I C 2.154 178.214 176.117 -0.095 0.000 1.115 331 I CA 0.898 62.161 61.300 -0.061 0.000 1.392 331 I CB 0.041 38.009 38.000 -0.052 0.000 1.065 331 I HN -0.100 nan 8.210 nan 0.000 0.418 332 I N 0.710 121.257 120.570 -0.038 0.000 2.361 332 I HA -0.202 3.968 4.170 0.000 0.000 0.251 332 I C 2.431 178.546 176.117 -0.003 0.000 1.133 332 I CA 1.461 62.758 61.300 -0.005 0.000 1.413 332 I CB -0.705 37.344 38.000 0.082 0.000 1.073 332 I HN 0.338 nan 8.210 nan 0.000 0.424 333 G N 0.652 109.448 108.800 -0.007 0.000 2.441 333 G HA2 -0.031 3.929 3.960 0.000 0.000 0.212 333 G HA3 -0.031 3.929 3.960 0.000 0.000 0.212 333 G C 1.661 176.547 174.900 -0.022 0.000 1.164 333 G CA 0.117 45.220 45.100 0.005 0.000 0.811 333 G HN 0.263 nan 8.290 nan 0.000 0.535 334 I N 0.232 120.771 120.570 -0.053 0.000 2.226 334 I HA -0.179 3.991 4.170 0.000 0.000 0.245 334 I C 2.835 178.892 176.117 -0.101 0.000 1.100 334 I CA 0.577 61.838 61.300 -0.065 0.000 1.374 334 I CB -0.303 37.655 38.000 -0.071 0.000 1.057 334 I HN 0.317 nan 8.210 nan 0.000 0.413 335 c N 0.140 118.621 118.600 -0.197 0.000 2.675 335 c HA -0.075 4.495 4.570 0.000 0.000 0.285 335 c C 1.088 175.045 174.090 -0.223 0.000 1.282 335 c CA 0.190 56.311 56.329 -0.347 0.000 1.708 335 c CB -0.559 41.513 42.510 -0.730 0.000 2.134 335 c HN 0.269 nan 8.230 nan 0.000 0.494 336 Y N -0.058 120.253 120.300 0.019 0.000 2.419 336 Y HA 0.468 5.018 4.550 0.000 0.000 0.328 336 Y C 1.127 177.042 175.900 0.025 0.000 1.162 336 Y CA -0.687 57.431 58.100 0.030 0.000 1.174 336 Y CB 0.210 38.703 38.460 0.055 0.000 1.228 336 Y HN 0.302 nan 8.280 nan 0.000 0.473 337 G N 0.816 109.731 108.800 0.191 0.000 3.356 337 G HA2 0.352 4.312 3.960 0.000 0.000 0.239 337 G HA3 0.352 4.312 3.960 0.000 0.000 0.239 337 G C 0.184 175.143 174.900 0.098 0.000 1.252 337 G CA 0.069 45.230 45.100 0.103 0.000 1.611 337 G HN 0.753 nan 8.290 nan 0.000 0.580 338 A N 0.392 123.293 122.820 0.135 0.000 2.340 338 A HA 0.774 5.094 4.320 0.000 0.000 0.268 338 A C 0.475 178.089 177.584 0.052 0.000 1.100 338 A CA -0.123 51.977 52.037 0.106 0.000 0.803 338 A CB 0.851 19.955 19.000 0.175 0.000 1.043 338 A HN 0.286 nan 8.150 nan 0.000 0.488 339 T N 0.199 114.767 114.554 0.023 0.000 2.916 339 T HA 0.643 4.993 4.350 0.000 0.000 0.292 339 T C -0.799 173.884 174.700 -0.028 0.000 1.055 339 T CA -0.506 61.598 62.100 0.007 0.000 1.009 339 T CB 1.644 70.525 68.868 0.021 0.000 1.118 339 T HN 0.608 nan 8.240 nan 0.000 0.497 340 V N 2.110 121.984 119.914 -0.067 0.000 2.686 340 V HA 0.731 4.851 4.120 0.000 0.000 0.306 340 V C -0.833 175.179 176.094 -0.136 0.000 1.065 340 V CA -1.020 61.176 62.300 -0.172 0.000 0.894 340 V CB 1.855 33.480 31.823 -0.331 0.000 1.004 340 V HN 1.004 nan 8.190 nan 0.000 0.424 341 K N 2.379 122.647 120.400 -0.221 0.000 2.550 341 K HA 0.745 5.065 4.320 0.000 0.000 0.252 341 K C 0.018 176.500 176.600 -0.196 0.000 0.943 341 K CA -0.156 56.016 56.287 -0.192 0.000 0.806 341 K CB 2.092 34.376 32.500 -0.360 0.000 1.289 341 K HN 1.319 nan 8.250 nan 0.000 0.435 342 G N 2.300 111.155 108.800 0.093 0.000 2.151 342 G HA2 -0.080 3.880 3.960 0.000 0.000 0.140 342 G HA3 -0.080 3.880 3.960 0.000 0.000 0.140 342 G C 0.088 174.933 174.900 -0.092 0.000 1.020 342 G CA 0.075 45.220 45.100 0.075 0.000 0.688 342 G HN 0.474 nan 8.290 nan 0.000 0.500 343 M N -0.327 119.301 119.600 0.047 0.000 2.215 343 M HA 0.246 4.726 4.480 0.000 0.000 0.391 343 M C 0.487 176.955 176.300 0.280 0.000 0.914 343 M CA 0.195 55.566 55.300 0.120 0.000 1.035 343 M CB 0.631 33.336 32.600 0.175 0.000 1.944 343 M HN 0.269 nan 8.290 nan 0.000 0.656 344 Q N 1.979 121.908 119.800 0.215 0.000 2.349 344 Q HA 0.248 4.588 4.340 0.000 0.000 0.254 344 Q C 0.105 176.184 176.000 0.132 0.000 0.980 344 Q CA -0.191 55.738 55.803 0.210 0.000 0.924 344 Q CB 1.225 30.061 28.738 0.165 0.000 1.209 344 Q HN 0.228 nan 8.270 nan 0.000 0.445 345 S N 2.515 118.256 115.700 0.067 0.000 2.434 345 S HA 0.096 4.566 4.470 0.000 0.000 0.318 345 S C 0.711 175.229 174.600 -0.137 0.000 1.062 345 S CA -0.761 57.395 58.200 -0.073 0.000 1.116 345 S CB 0.129 63.241 63.200 -0.146 0.000 0.977 345 S HN 0.719 nan 8.310 nan 0.000 0.480 346 Y N 3.045 123.304 120.300 -0.068 0.000 2.348 346 Y HA -0.001 4.549 4.550 0.000 0.000 0.285 346 Y C 1.697 177.554 175.900 -0.072 0.000 1.173 346 Y CA 1.139 59.197 58.100 -0.069 0.000 1.263 346 Y CB -1.122 37.288 38.460 -0.084 0.000 0.974 346 Y HN 0.603 nan 8.280 nan 0.000 0.547 347 G N 1.497 109.913 108.800 -0.640 0.000 2.464 347 G HA2 -0.272 3.688 3.960 0.000 0.000 0.214 347 G HA3 -0.272 3.688 3.960 0.000 0.000 0.214 347 G C 1.459 176.224 174.900 -0.225 0.000 1.218 347 G CA 1.027 45.861 45.100 -0.443 0.000 0.794 347 G HN 0.468 nan 8.290 nan 0.000 0.542 348 L N 0.927 121.997 121.223 -0.254 0.000 2.129 348 L HA -0.088 4.252 4.340 0.000 0.000 0.212 348 L C 2.569 179.344 176.870 -0.159 0.000 1.087 348 L CA 2.154 56.852 54.840 -0.238 0.000 0.757 348 L CB -0.486 41.322 42.059 -0.419 0.000 0.896 348 L HN 0.414 nan 8.230 nan 0.000 0.434 349 E N -0.842 119.290 120.200 -0.113 0.000 2.046 349 E HA -0.200 4.150 4.350 0.000 0.000 0.190 349 E C 2.337 178.923 176.600 -0.024 0.000 0.982 349 E CA 0.980 57.354 56.400 -0.043 0.000 0.800 349 E CB -0.162 29.543 29.700 0.009 0.000 0.756 349 E HN 0.481 nan 8.360 nan 0.000 0.449 350 R N 0.518 121.012 120.500 -0.010 0.000 2.096 350 R HA -0.135 4.205 4.340 0.000 0.000 0.235 350 R C 2.470 178.762 176.300 -0.013 0.000 1.127 350 R CA 0.752 56.855 56.100 0.005 0.000 0.968 350 R CB -0.246 30.076 30.300 0.037 0.000 0.861 350 R HN 0.099 nan 8.270 nan 0.000 0.440 351 L N 0.380 121.583 121.223 -0.034 0.000 1.976 351 L HA -0.130 4.210 4.340 0.000 0.000 0.209 351 L C 2.248 179.099 176.870 -0.030 0.000 1.071 351 L CA 2.175 56.997 54.840 -0.030 0.000 0.746 351 L CB -0.638 41.393 42.059 -0.046 0.000 0.890 351 L HN 0.138 nan 8.230 nan 0.000 0.432 352 A N -0.422 122.368 122.820 -0.050 0.000 1.908 352 A HA -0.192 4.128 4.320 0.000 0.000 0.218 352 A C 2.446 180.004 177.584 -0.043 0.000 1.181 352 A CA 2.149 54.150 52.037 -0.060 0.000 0.627 352 A CB -1.327 17.628 19.000 -0.075 0.000 0.818 352 A HN 0.637 nan 8.150 nan 0.000 0.445 353 A N -0.498 122.304 122.820 -0.030 0.000 1.865 353 A HA -0.176 4.144 4.320 0.000 0.000 0.217 353 A C 2.307 179.880 177.584 -0.018 0.000 1.191 353 A CA 1.991 54.013 52.037 -0.024 0.000 0.623 353 A CB -0.596 18.390 19.000 -0.023 0.000 0.826 353 A HN 0.541 nan 8.150 nan 0.000 0.444 354 M N -1.065 118.528 119.600 -0.010 0.000 2.086 354 M HA -0.122 4.358 4.480 0.000 0.000 0.261 354 M C 2.361 178.661 176.300 0.001 0.000 1.067 354 M CA 1.730 57.029 55.300 -0.001 0.000 1.116 354 M CB -0.555 32.049 32.600 0.008 0.000 1.348 354 M HN 0.539 nan 8.290 nan 0.000 0.407 355 L N 0.309 121.531 121.223 -0.002 0.000 1.990 355 L HA -0.291 4.049 4.340 0.000 0.000 0.213 355 L C 2.594 179.465 176.870 0.002 0.000 1.072 355 L CA 1.440 56.284 54.840 0.006 0.000 0.755 355 L CB -0.191 41.871 42.059 0.006 0.000 0.889 355 L HN 0.306 nan 8.230 nan 0.000 0.432 356 M N -0.401 119.190 119.600 -0.015 0.000 2.108 356 M HA -0.173 4.307 4.480 0.000 0.000 0.261 356 M C 2.461 178.761 176.300 0.001 0.000 1.066 356 M CA 1.854 57.145 55.300 -0.014 0.000 1.107 356 M CB -1.654 30.931 32.600 -0.025 0.000 1.356 356 M HN 0.448 nan 8.290 nan 0.000 0.406 357 A N -0.138 122.682 122.820 0.000 0.000 2.186 357 A HA -0.093 4.227 4.320 0.000 0.000 0.219 357 A C 1.522 179.113 177.584 0.012 0.000 1.159 357 A CA 1.822 53.863 52.037 0.007 0.000 0.680 357 A CB -1.115 17.887 19.000 0.004 0.000 0.787 357 A HN 0.601 nan 8.150 nan 0.000 0.467 358 T N -2.710 111.852 114.554 0.013 0.000 3.255 358 T HA 0.538 4.888 4.350 0.000 0.000 0.243 358 T C -0.528 174.185 174.700 0.022 0.000 1.057 358 T CA -0.209 61.901 62.100 0.017 0.000 1.121 358 T CB -0.134 68.745 68.868 0.017 0.000 1.104 358 T HN 0.508 nan 8.240 nan 0.000 0.571 359 V N 0.415 120.343 119.914 0.023 0.000 2.969 359 V HA 0.565 4.686 4.120 0.000 0.000 0.304 359 V C -1.236 174.877 176.094 0.030 0.000 1.192 359 V CA -1.090 61.227 62.300 0.029 0.000 0.962 359 V CB 2.354 34.196 31.823 0.031 0.000 1.045 359 V HN 0.384 nan 8.190 nan 0.000 0.428 360 K N 5.619 126.040 120.400 0.035 0.000 2.021 360 K HA 0.195 4.515 4.320 0.000 0.000 0.238 360 K C 1.153 177.778 176.600 0.042 0.000 1.149 360 K CA 0.209 56.520 56.287 0.040 0.000 1.105 360 K CB -0.011 32.517 32.500 0.047 0.000 1.246 360 K HN 0.593 nan 8.250 nan 0.000 0.307 361 M N 0.546 120.168 119.600 0.037 0.000 2.067 361 M HA -0.161 4.319 4.480 0.000 0.000 0.260 361 M C 1.441 177.762 176.300 0.036 0.000 1.069 361 M CA 1.608 56.928 55.300 0.034 0.000 1.117 361 M CB -0.535 32.085 32.600 0.033 0.000 1.334 361 M HN 0.617 nan 8.290 nan 0.000 0.407 362 E N 0.135 120.361 120.200 0.043 0.000 2.510 362 E HA -0.172 4.179 4.350 0.000 0.000 0.202 362 E C 0.974 177.605 176.600 0.052 0.000 1.072 362 E CA 0.557 56.985 56.400 0.046 0.000 0.883 362 E CB 0.168 29.900 29.700 0.053 0.000 0.818 362 E HN 0.475 nan 8.360 nan 0.000 0.548 363 E N -0.312 119.924 120.200 0.061 0.000 2.810 363 E HA 0.068 4.418 4.350 0.000 0.000 0.214 363 E C 1.340 177.976 176.600 0.060 0.000 0.980 363 E CA -0.182 56.285 56.400 0.112 0.000 1.159 363 E CB 0.348 30.145 29.700 0.161 0.000 1.047 363 E HN 0.249 nan 8.360 nan 0.000 0.484 364 L N -0.022 121.210 121.223 0.014 0.000 2.083 364 L HA -0.041 4.299 4.340 0.000 0.000 0.209 364 L C 2.099 178.954 176.870 -0.026 0.000 1.083 364 L CA 1.728 56.574 54.840 0.009 0.000 0.752 364 L CB -0.190 41.874 42.059 0.007 0.000 0.899 364 L HN 0.313 nan 8.230 nan 0.000 0.433 365 G N -1.637 107.098 108.800 -0.109 0.000 2.450 365 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 365 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 365 G C 1.168 175.971 174.900 -0.161 0.000 1.130 365 G CA 0.492 45.492 45.100 -0.167 0.000 0.760 365 G HN 0.496 nan 8.290 nan 0.000 0.557 366 H N -0.794 118.286 119.070 0.017 0.000 2.556 366 H HA 0.193 4.749 4.556 0.000 0.000 0.268 366 H C 0.869 176.204 175.328 0.012 0.000 0.996 366 H CA -0.221 55.834 56.048 0.011 0.000 1.157 366 H CB 0.081 29.848 29.762 0.009 0.000 1.355 366 H HN 0.226 nan 8.280 nan 0.000 0.597 367 L N 1.095 122.374 121.223 0.092 0.000 2.488 367 L HA 0.166 4.506 4.340 0.000 0.000 0.249 367 L C 1.176 178.075 176.870 0.048 0.000 1.151 367 L CA -0.362 54.518 54.840 0.066 0.000 0.806 367 L CB 0.907 42.998 42.059 0.053 0.000 1.261 367 L HN 0.148 nan 8.230 nan 0.000 0.484 368 T N -2.304 112.273 114.554 0.039 0.000 2.754 368 T HA 0.168 4.518 4.350 0.000 0.000 0.286 368 T C 1.053 175.769 174.700 0.027 0.000 0.997 368 T CA 0.254 62.373 62.100 0.031 0.000 0.982 368 T CB 0.424 69.306 68.868 0.024 0.000 1.027 368 T HN 0.656 nan 8.240 nan 0.000 0.529 369 T N 0.226 114.794 114.554 0.024 0.000 2.639 369 T HA -0.085 4.265 4.350 0.000 0.000 0.261 369 T C 1.783 176.497 174.700 0.022 0.000 1.053 369 T CA 1.385 63.498 62.100 0.021 0.000 1.158 369 T CB -0.557 68.324 68.868 0.021 0.000 0.863 369 T HN 0.832 nan 8.240 nan 0.000 0.413 370 E N 0.812 121.025 120.200 0.022 0.000 2.097 370 E HA -0.246 4.104 4.350 0.000 0.000 0.196 370 E C 2.068 178.694 176.600 0.043 0.000 1.000 370 E CA 1.161 57.575 56.400 0.024 0.000 0.804 370 E CB 0.021 29.726 29.700 0.009 0.000 0.740 370 E HN 0.193 nan 8.360 nan 0.000 0.454 371 K N 0.347 120.771 120.400 0.040 0.000 2.148 371 K HA -0.139 4.181 4.320 0.000 0.000 0.204 371 K C 2.154 178.812 176.600 0.097 0.000 1.050 371 K CA 0.870 57.202 56.287 0.075 0.000 0.942 371 K CB -0.279 32.252 32.500 0.052 0.000 0.724 371 K HN 0.285 nan 8.250 nan 0.000 0.446 372 Q N 0.971 120.801 119.800 0.051 0.000 2.050 372 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 372 Q C 1.792 177.792 176.000 -0.000 0.000 0.980 372 Q CA 1.475 57.292 55.803 0.024 0.000 0.840 372 Q CB 0.182 28.925 28.738 0.008 0.000 0.898 372 Q HN 0.343 nan 8.270 nan 0.000 0.424 373 E N -0.457 119.743 120.200 0.000 0.000 2.012 373 E HA -0.253 4.097 4.350 0.000 0.000 0.197 373 E C 1.809 178.374 176.600 -0.058 0.000 1.007 373 E CA 1.355 57.723 56.400 -0.053 0.000 0.816 373 E CB -0.441 29.240 29.700 -0.032 0.000 0.762 373 E HN 0.380 nan 8.360 nan 0.000 0.451 374 Y N 1.556 121.797 120.300 -0.097 0.000 2.132 374 Y HA -0.367 4.183 4.550 0.000 0.000 0.280 374 Y C 2.093 177.943 175.900 -0.084 0.000 1.193 374 Y CA 1.682 59.731 58.100 -0.085 0.000 1.157 374 Y CB -0.526 37.909 38.460 -0.041 0.000 0.966 374 Y HN 0.059 nan 8.280 nan 0.000 0.511 375 A N -0.075 122.711 122.820 -0.057 0.000 1.828 375 A HA -0.182 4.139 4.320 0.000 0.000 0.215 375 A C 2.120 179.597 177.584 -0.179 0.000 1.203 375 A CA 1.977 53.941 52.037 -0.120 0.000 0.614 375 A CB -1.312 17.681 19.000 -0.010 0.000 0.844 375 A HN 0.424 nan 8.150 nan 0.000 0.445 376 L N -0.342 120.796 121.223 -0.142 0.000 2.042 376 L HA -0.148 4.192 4.340 0.000 0.000 0.210 376 L C 2.586 179.301 176.870 -0.259 0.000 1.076 376 L CA 1.919 56.664 54.840 -0.158 0.000 0.749 376 L CB -0.816 41.158 42.059 -0.141 0.000 0.893 376 L HN 0.403 nan 8.230 nan 0.000 0.432 377 R N -0.192 120.082 120.500 -0.376 0.000 2.122 377 R HA -0.237 4.103 4.340 0.000 0.000 0.236 377 R C 2.268 178.360 176.300 -0.348 0.000 1.129 377 R CA 2.394 58.150 56.100 -0.574 0.000 0.925 377 R CB -0.648 29.353 30.300 -0.498 0.000 0.850 377 R HN 0.423 nan 8.270 nan 0.000 0.431 378 L N -1.385 119.636 121.223 -0.336 0.000 2.275 378 L HA 0.126 4.466 4.340 0.000 0.000 0.215 378 L C 2.123 178.909 176.870 -0.140 0.000 1.119 378 L CA 1.806 56.497 54.840 -0.247 0.000 0.790 378 L CB -0.468 41.345 42.059 -0.409 0.000 0.919 378 L HN 0.059 nan 8.230 nan 0.000 0.443 379 A N -0.034 122.704 122.820 -0.136 0.000 2.019 379 A HA -0.127 4.193 4.320 0.000 0.000 0.219 379 A C 2.270 179.877 177.584 0.037 0.000 1.164 379 A CA 2.135 54.146 52.037 -0.043 0.000 0.644 379 A CB -1.123 17.852 19.000 -0.042 0.000 0.805 379 A HN 0.560 nan 8.150 nan 0.000 0.449 380 T N -0.546 114.021 114.554 0.022 0.000 2.851 380 T HA -0.053 4.297 4.350 0.000 0.000 0.262 380 T C 1.877 176.639 174.700 0.104 0.000 1.043 380 T CA 1.369 63.518 62.100 0.081 0.000 1.140 380 T CB -0.308 68.657 68.868 0.162 0.000 0.872 380 T HN 0.179 nan 8.240 nan 0.000 0.446 381 V N 1.375 121.342 119.914 0.089 0.000 2.407 381 V HA -0.049 4.071 4.120 0.000 0.000 0.248 381 V C 2.695 178.825 176.094 0.060 0.000 1.055 381 V CA 1.984 64.331 62.300 0.078 0.000 1.049 381 V CB -1.065 30.787 31.823 0.048 0.000 0.662 381 V HN 0.593 nan 8.190 nan 0.000 0.455 382 G N -2.345 106.482 108.800 0.045 0.000 2.939 382 G HA2 -0.134 3.826 3.960 0.000 0.000 0.210 382 G HA3 -0.134 3.826 3.960 0.000 0.000 0.210 382 G C 1.271 176.213 174.900 0.070 0.000 1.160 382 G CA 0.205 45.326 45.100 0.035 0.000 0.770 382 G HN 0.490 nan 8.290 nan 0.000 0.543 383 Y N 2.660 122.951 120.300 -0.014 0.000 2.096 383 Y HA -0.198 4.353 4.550 0.000 0.000 0.278 383 Y C 0.107 176.002 175.900 -0.008 0.000 1.192 383 Y CA 2.321 60.413 58.100 -0.013 0.000 1.143 383 Y CB -0.886 37.568 38.460 -0.011 0.000 0.963 383 Y HN 0.247 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.436 178.735 177.300 -0.001 0.000 1.193 384 P CA 1.945 65.112 63.100 0.113 0.000 0.929 384 P CB -0.088 31.691 31.700 0.131 0.000 0.772 385 K N -0.601 119.810 120.400 0.018 0.000 2.228 385 K HA -0.066 4.255 4.320 0.000 0.000 0.205 385 K C 0.806 177.389 176.600 -0.028 0.000 1.045 385 K CA 1.260 57.550 56.287 0.005 0.000 0.931 385 K CB -0.504 32.017 32.500 0.036 0.000 0.727 385 K HN 0.226 nan 8.250 nan 0.000 0.458 386 A N -2.374 120.409 122.820 -0.061 0.000 2.601 386 A HA 0.556 4.876 4.320 0.000 0.000 0.291 386 A C -0.201 177.298 177.584 -0.142 0.000 1.075 386 A CA 0.023 52.013 52.037 -0.078 0.000 0.671 386 A CB 1.431 20.407 19.000 -0.039 0.000 1.277 386 A HN 0.169 nan 8.150 nan 0.000 0.417 387 G N -0.682 108.042 108.800 -0.126 0.000 2.327 387 G HA2 0.065 4.025 3.960 0.000 0.000 0.159 387 G HA3 0.065 4.025 3.960 0.000 0.000 0.159 387 G C 0.342 175.113 174.900 -0.214 0.000 1.056 387 G CA 0.226 45.231 45.100 -0.157 0.000 0.751 387 G HN 1.529 nan 8.290 nan 0.000 0.488 388 V N -1.187 118.647 119.914 -0.135 0.000 3.041 388 V HA 0.124 4.244 4.120 0.000 0.000 0.260 388 V C 1.382 177.370 176.094 -0.176 0.000 1.105 388 V CA 1.625 63.830 62.300 -0.158 0.000 1.125 388 V CB -0.334 31.444 31.823 -0.075 0.000 0.730 388 V HN 0.522 nan 8.190 nan 0.000 0.479 389 Y N -0.674 119.579 120.300 -0.080 0.000 2.779 389 Y HA 0.425 4.975 4.550 0.000 0.000 0.251 389 Y C 0.929 176.803 175.900 -0.043 0.000 1.145 389 Y CA -0.484 57.585 58.100 -0.050 0.000 1.201 389 Y CB 0.913 39.352 38.460 -0.036 0.000 1.281 389 Y HN 0.104 nan 8.280 nan 0.000 0.563 390 S N -0.329 115.403 115.700 0.053 0.000 2.554 390 S HA 0.472 4.942 4.470 0.000 0.000 0.278 390 S C 1.087 175.700 174.600 0.021 0.000 1.242 390 S CA -0.123 58.097 58.200 0.032 0.000 1.051 390 S CB 0.867 64.062 63.200 -0.008 0.000 0.986 390 S HN 0.531 nan 8.310 nan 0.000 0.502 391 G N 4.565 113.387 108.800 0.037 0.000 3.263 391 G HA2 0.173 4.133 3.960 0.000 0.000 0.246 391 G HA3 0.173 4.133 3.960 0.000 0.000 0.246 391 G C 0.834 175.755 174.900 0.035 0.000 0.982 391 G CA -0.168 44.955 45.100 0.038 0.000 1.897 391 G HN 0.757 nan 8.290 nan 0.000 0.624 392 L N -0.169 121.073 121.223 0.032 0.000 2.005 392 L HA -0.074 4.266 4.340 0.000 0.000 0.207 392 L C 2.607 179.515 176.870 0.064 0.000 1.072 392 L CA 0.869 55.740 54.840 0.053 0.000 0.744 392 L CB -0.212 41.900 42.059 0.090 0.000 0.895 392 L HN 0.311 nan 8.230 nan 0.000 0.433 393 I N 0.103 120.715 120.570 0.069 0.000 2.423 393 I HA -0.201 3.970 4.170 0.000 0.000 0.254 393 I C 2.530 178.688 176.117 0.067 0.000 1.151 393 I CA 1.471 62.803 61.300 0.053 0.000 1.421 393 I CB -1.233 36.786 38.000 0.032 0.000 1.079 393 I HN 0.197 nan 8.210 nan 0.000 0.431 394 G N 0.510 109.346 108.800 0.060 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 1.855 176.795 174.900 0.066 0.000 1.171 394 G CA 0.799 45.938 45.100 0.065 0.000 0.775 394 G HN 0.499 nan 8.290 nan 0.000 0.543 395 G N 1.128 109.960 108.800 0.053 0.000 2.440 395 G HA2 0.017 3.977 3.960 0.000 0.000 0.218 395 G HA3 0.017 3.977 3.960 0.000 0.000 0.218 395 G C 2.054 176.989 174.900 0.058 0.000 1.154 395 G CA 1.553 46.678 45.100 0.041 0.000 0.767 395 G HN 0.682 nan 8.290 nan 0.000 0.552 396 A N 0.108 122.978 122.820 0.083 0.000 2.024 396 A HA -0.000 4.320 4.320 0.000 0.000 0.220 396 A C 2.509 180.247 177.584 0.257 0.000 1.164 396 A CA 2.426 54.551 52.037 0.146 0.000 0.643 396 A CB -0.678 18.389 19.000 0.112 0.000 0.806 396 A HN 0.327 nan 8.150 nan 0.000 0.451 397 T N -0.560 114.123 114.554 0.215 0.000 2.770 397 T HA -0.064 4.286 4.350 0.000 0.000 0.258 397 T C 2.286 177.022 174.700 0.060 0.000 1.039 397 T CA 1.423 63.634 62.100 0.186 0.000 1.143 397 T CB -0.339 68.629 68.868 0.167 0.000 0.866 397 T HN 0.457 nan 8.240 nan 0.000 0.428 398 S N 0.963 116.687 115.700 0.039 0.000 2.365 398 S HA -0.132 4.338 4.470 0.000 0.000 0.225 398 S C 2.242 176.812 174.600 -0.050 0.000 1.039 398 S CA 1.212 59.400 58.200 -0.021 0.000 1.033 398 S CB -0.757 62.423 63.200 -0.034 0.000 0.887 398 S HN 0.314 nan 8.310 nan 0.000 0.447 399 V N 1.814 121.716 119.914 -0.020 0.000 2.343 399 V HA -0.126 3.994 4.120 0.000 0.000 0.247 399 V C 2.065 178.145 176.094 -0.023 0.000 1.051 399 V CA 1.857 64.143 62.300 -0.024 0.000 1.036 399 V CB -0.405 31.417 31.823 -0.002 0.000 0.654 399 V HN 0.469 nan 8.190 nan 0.000 0.451 400 L N -0.222 120.983 121.223 -0.030 0.000 2.027 400 L HA -0.044 4.296 4.340 0.000 0.000 0.206 400 L C 2.213 179.059 176.870 -0.040 0.000 1.074 400 L CA 2.396 57.181 54.840 -0.092 0.000 0.745 400 L CB -0.999 40.861 42.059 -0.332 0.000 0.898 400 L HN 0.381 nan 8.230 nan 0.000 0.433 401 L N -0.527 120.683 121.223 -0.023 0.000 2.013 401 L HA -0.247 4.093 4.340 0.000 0.000 0.212 401 L C 2.533 179.424 176.870 0.035 0.000 1.073 401 L CA 2.273 57.136 54.840 0.038 0.000 0.753 401 L CB -1.024 41.047 42.059 0.019 0.000 0.890 401 L HN 0.381 nan 8.230 nan 0.000 0.432 402 S N -0.362 115.326 115.700 -0.020 0.000 2.359 402 S HA -0.218 4.252 4.470 0.000 0.000 0.224 402 S C 2.096 176.714 174.600 0.030 0.000 1.035 402 S CA 1.227 59.412 58.200 -0.025 0.000 1.018 402 S CB -0.754 62.407 63.200 -0.064 0.000 0.876 402 S HN 0.699 nan 8.310 nan 0.000 0.448 403 A N 0.982 123.833 122.820 0.051 0.000 1.892 403 A HA -0.187 4.133 4.320 0.000 0.000 0.218 403 A C 2.015 179.709 177.584 0.183 0.000 1.188 403 A CA 1.948 54.044 52.037 0.098 0.000 0.631 403 A CB -1.086 17.950 19.000 0.060 0.000 0.822 403 A HN 0.565 nan 8.150 nan 0.000 0.447 404 Y N 1.435 121.740 120.300 0.008 0.000 2.114 404 Y HA -0.212 4.339 4.550 0.000 0.000 0.284 404 Y C 2.116 178.031 175.900 0.025 0.000 1.143 404 Y CA 1.701 59.813 58.100 0.020 0.000 1.135 404 Y CB -1.095 37.365 38.460 -0.001 0.000 0.980 404 Y HN 0.494 nan 8.280 nan 0.000 0.499 405 N N -0.243 118.386 118.700 -0.118 0.000 2.137 405 N HA -0.219 4.521 4.740 0.000 0.000 0.190 405 N C 1.961 177.376 175.510 -0.159 0.000 1.017 405 N CA 0.832 53.737 53.050 -0.241 0.000 0.859 405 N CB -0.261 38.140 38.487 -0.143 0.000 1.002 405 N HN 0.268 nan 8.380 nan 0.000 0.428 406 R N 0.332 120.792 120.500 -0.068 0.000 2.307 406 R HA 0.034 4.374 4.340 0.000 0.000 0.199 406 R C -0.184 175.931 176.300 -0.309 0.000 1.000 406 R CA 0.696 56.711 56.100 -0.141 0.000 1.023 406 R CB 0.160 30.410 30.300 -0.083 0.000 0.908 406 R HN 0.346 nan 8.270 nan 0.000 0.473 407 H N -1.647 117.419 119.070 -0.007 0.000 2.941 407 H HA 0.291 4.847 4.556 0.000 0.000 0.344 407 H C -2.361 173.001 175.328 0.057 0.000 1.235 407 H CA -1.733 54.335 56.048 0.034 0.000 1.149 407 H CB 2.281 32.075 29.762 0.054 0.000 1.885 407 H HN -0.110 nan 8.280 nan 0.000 0.558 408 P HA 0.208 nan 4.420 nan 0.000 0.208 408 P C -0.894 176.565 177.300 0.264 0.000 1.863 408 P CA -0.272 62.943 63.100 0.190 0.000 1.037 408 P CB -0.378 31.411 31.700 0.149 0.000 1.881 409 L N 0.369 121.794 121.223 0.338 0.000 3.601 409 L HA -0.228 4.112 4.340 0.000 0.000 0.469 409 L C -0.281 176.756 176.870 0.278 0.000 1.294 409 L CA 0.746 55.746 54.840 0.268 0.000 0.829 409 L CB -2.650 39.538 42.059 0.214 0.000 1.628 409 L HN 0.330 nan 8.230 nan 0.000 0.868 410 F N -0.291 119.687 119.950 0.047 0.000 2.625 410 F HA 0.349 4.876 4.527 0.000 0.000 0.311 410 F C -1.109 174.630 175.800 -0.101 0.000 0.999 410 F CA -0.660 57.322 58.000 -0.031 0.000 1.056 410 F CB 0.834 39.820 39.000 -0.023 0.000 1.311 410 F HN 0.024 nan 8.300 nan 0.000 0.548 411 Q N 6.215 125.512 119.800 -0.838 0.000 2.230 411 Q HA 0.458 4.798 4.340 0.000 0.000 0.253 411 Q C -2.545 172.750 176.000 -1.175 0.000 0.919 411 Q CA -2.072 53.234 55.803 -0.828 0.000 0.908 411 Q CB 1.569 30.069 28.738 -0.398 0.000 1.245 411 Q HN 0.364 nan 8.270 nan 0.000 0.437 412 P HA -0.060 nan 4.420 nan 0.000 0.261 412 P C 0.841 177.895 177.300 -0.410 0.000 1.173 412 P CA 0.324 63.111 63.100 -0.521 0.000 0.760 412 P CB 0.495 32.039 31.700 -0.261 0.000 0.783 413 L N 2.676 123.726 121.223 -0.288 0.000 2.137 413 L HA -0.206 4.134 4.340 0.000 0.000 0.213 413 L C 0.907 177.471 176.870 -0.511 0.000 1.085 413 L CA 1.566 56.219 54.840 -0.312 0.000 0.760 413 L CB -0.289 41.658 42.059 -0.188 0.000 0.893 413 L HN 0.570 nan 8.230 nan 0.000 0.434 414 H N -1.591 117.454 119.070 -0.041 0.000 2.616 414 H HA 0.195 4.751 4.556 0.000 0.000 0.229 414 H C -0.313 175.000 175.328 -0.025 0.000 1.418 414 H CA -0.141 55.896 56.048 -0.019 0.000 1.248 414 H CB 0.640 30.402 29.762 0.001 0.000 1.822 414 H HN -0.033 nan 8.280 nan 0.000 0.522 415 T N -0.514 114.050 114.554 0.017 0.000 2.918 415 T HA 0.146 4.496 4.350 0.000 0.000 0.283 415 T C 1.523 176.235 174.700 0.021 0.000 1.001 415 T CA -0.253 61.850 62.100 0.004 0.000 1.041 415 T CB 1.749 70.580 68.868 -0.061 0.000 1.028 415 T HN 0.175 nan 8.240 nan 0.000 0.511 416 V N 4.981 124.910 119.914 0.025 0.000 2.490 416 V HA -0.063 4.057 4.120 0.000 0.000 0.250 416 V C 2.186 178.289 176.094 0.015 0.000 1.061 416 V CA 2.498 64.814 62.300 0.028 0.000 1.064 416 V CB -0.693 31.147 31.823 0.028 0.000 0.670 416 V HN 0.994 nan 8.190 nan 0.000 0.461 417 M N -0.524 119.078 119.600 0.003 0.000 2.349 417 M HA -0.082 4.398 4.480 0.000 0.000 0.266 417 M C 2.202 178.490 176.300 -0.020 0.000 1.076 417 M CA 1.833 57.130 55.300 -0.006 0.000 1.126 417 M CB -0.187 32.413 32.600 -0.000 0.000 1.392 417 M HN 0.337 nan 8.290 nan 0.000 0.440 418 R N 0.583 121.071 120.500 -0.020 0.000 2.096 418 R HA -0.253 4.087 4.340 0.000 0.000 0.240 418 R C 1.927 178.209 176.300 -0.031 0.000 1.139 418 R CA 2.290 58.390 56.100 0.000 0.000 0.952 418 R CB -0.382 29.920 30.300 0.002 0.000 0.854 418 R HN 0.416 nan 8.270 nan 0.000 0.436 419 E N -0.558 119.645 120.200 0.006 0.000 2.160 419 E HA -0.154 4.197 4.350 0.000 0.000 0.195 419 E C 1.479 178.085 176.600 0.011 0.000 0.991 419 E CA 2.216 58.647 56.400 0.050 0.000 0.810 419 E CB -0.253 29.493 29.700 0.077 0.000 0.742 419 E HN 0.434 nan 8.360 nan 0.000 0.466 420 T N 0.528 115.056 114.554 -0.044 0.000 2.643 420 T HA -0.129 4.222 4.350 0.000 0.000 0.264 420 T C 1.674 176.287 174.700 -0.144 0.000 1.045 420 T CA 1.446 63.498 62.100 -0.081 0.000 1.155 420 T CB -0.385 68.454 68.868 -0.049 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.611 121.735 121.223 -0.166 0.000 2.189 421 L HA -0.041 4.299 4.340 0.000 0.000 0.214 421 L C 2.071 178.620 176.870 -0.534 0.000 1.097 421 L CA 1.350 56.073 54.840 -0.195 0.000 0.764 421 L CB -0.976 41.065 42.059 -0.030 0.000 0.900 421 L HN 0.227 nan 8.230 nan 0.000 0.436 422 F N 0.180 119.474 119.950 -1.094 0.000 2.146 422 F HA -0.156 4.371 4.527 0.000 0.000 0.298 422 F C 2.257 177.847 175.800 -0.349 0.000 1.096 422 F CA 1.301 58.596 58.000 -1.176 0.000 1.275 422 F CB -0.313 38.217 39.000 -0.784 0.000 1.008 422 F HN -0.021 nan 8.300 nan 0.000 0.480 423 I N 0.304 120.640 120.570 -0.391 0.000 2.226 423 I HA -0.207 3.963 4.170 0.000 0.000 0.245 423 I C 2.726 178.723 176.117 -0.199 0.000 1.100 423 I CA 1.415 62.537 61.300 -0.297 0.000 1.374 423 I CB -1.387 36.335 38.000 -0.464 0.000 1.057 423 I HN 0.314 nan 8.210 nan 0.000 0.413 424 G N 0.656 109.349 108.800 -0.178 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 1.817 176.661 174.900 -0.093 0.000 1.150 424 G CA 0.946 46.001 45.100 -0.076 0.000 0.776 424 G HN 0.497 nan 8.290 nan 0.000 0.542 425 S N 0.504 116.134 115.700 -0.116 0.000 2.387 425 S HA -0.276 4.194 4.470 0.000 0.000 0.230 425 S C 2.090 176.553 174.600 -0.228 0.000 1.035 425 S CA 1.761 59.877 58.200 -0.139 0.000 1.014 425 S CB -0.854 62.387 63.200 0.068 0.000 0.836 425 S HN 0.519 nan 8.310 nan 0.000 0.466 426 H N 0.481 119.463 119.070 -0.148 0.000 2.289 426 H HA -0.029 4.527 4.556 0.000 0.000 0.296 426 H C 2.501 177.703 175.328 -0.209 0.000 1.091 426 H CA 1.698 57.651 56.048 -0.159 0.000 1.274 426 H CB -1.002 28.676 29.762 -0.140 0.000 1.364 426 H HN 0.404 nan 8.280 nan 0.000 0.490 427 V N 1.169 121.036 119.914 -0.078 0.000 2.913 427 V HA -0.134 3.986 4.120 0.000 0.000 0.260 427 V C 2.235 178.185 176.094 -0.239 0.000 1.098 427 V CA 0.865 63.043 62.300 -0.204 0.000 1.121 427 V CB -0.422 31.358 31.823 -0.072 0.000 0.714 427 V HN 0.134 nan 8.190 nan 0.000 0.487 428 V N -0.725 119.042 119.914 -0.244 0.000 2.426 428 V HA -0.076 4.044 4.120 0.000 0.000 0.242 428 V C 2.240 178.196 176.094 -0.229 0.000 1.036 428 V CA 1.559 63.674 62.300 -0.308 0.000 1.044 428 V CB -0.349 31.082 31.823 -0.653 0.000 0.688 428 V HN 0.518 nan 8.190 nan 0.000 0.462 429 L N 0.372 121.481 121.223 -0.190 0.000 1.989 429 L HA -0.170 4.170 4.340 0.000 0.000 0.211 429 L C 2.617 179.425 176.870 -0.103 0.000 1.071 429 L CA 2.073 56.850 54.840 -0.105 0.000 0.749 429 L CB -0.659 41.365 42.059 -0.058 0.000 0.890 429 L HN 0.150 nan 8.230 nan 0.000 0.431 430 R N -0.821 119.572 120.500 -0.178 0.000 2.119 430 R HA -0.275 4.066 4.340 0.000 0.000 0.246 430 R C 2.271 178.480 176.300 -0.153 0.000 1.146 430 R CA 1.941 57.902 56.100 -0.233 0.000 0.962 430 R CB -0.254 29.727 30.300 -0.532 0.000 0.863 430 R HN 0.452 nan 8.270 nan 0.000 0.442 431 E N 0.518 120.625 120.200 -0.155 0.000 2.031 431 E HA -0.179 4.171 4.350 0.000 0.000 0.193 431 E C 1.944 178.544 176.600 -0.001 0.000 0.994 431 E CA 1.396 57.789 56.400 -0.011 0.000 0.800 431 E CB -0.317 29.371 29.700 -0.020 0.000 0.752 431 E HN 0.292 nan 8.360 nan 0.000 0.447 432 L N 0.331 121.554 121.223 0.000 0.000 2.043 432 L HA -0.223 4.117 4.340 0.000 0.000 0.212 432 L C 2.588 179.584 176.870 0.210 0.000 1.075 432 L CA 1.531 56.446 54.840 0.126 0.000 0.752 432 L CB -0.454 41.661 42.059 0.094 0.000 0.891 432 L HN 0.086 nan 8.230 nan 0.000 0.432 433 R N -0.259 120.296 120.500 0.092 0.000 2.200 433 R HA -0.068 4.272 4.340 0.000 0.000 0.234 433 R C 0.756 177.099 176.300 0.072 0.000 1.127 433 R CA 0.631 56.768 56.100 0.061 0.000 0.989 433 R CB -0.895 29.414 30.300 0.015 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.459 434 L N 1.721 123.017 121.223 0.122 0.000 2.456 434 L HA -0.026 4.314 4.340 0.000 0.000 0.246 434 L C 1.514 178.487 176.870 0.170 0.000 1.238 434 L CA 0.687 55.594 54.840 0.110 0.000 0.826 434 L CB 0.174 42.287 42.059 0.091 0.000 1.150 434 L HN 0.236 nan 8.230 nan 0.000 0.514 435 N N -1.252 117.511 118.700 0.105 0.000 2.177 435 N HA 0.039 4.779 4.740 0.000 0.000 0.218 435 N C -0.791 174.804 175.510 0.143 0.000 1.182 435 N CA -0.007 53.100 53.050 0.096 0.000 0.882 435 N CB 0.452 38.923 38.487 -0.027 0.000 1.052 435 N HN 0.214 nan 8.380 nan 0.000 0.519 436 V N 2.413 122.394 119.914 0.111 0.000 2.320 436 V HA 0.177 4.297 4.120 0.000 0.000 0.265 436 V C 0.568 176.657 176.094 -0.009 0.000 1.048 436 V CA -0.638 61.682 62.300 0.033 0.000 0.865 436 V CB 0.200 32.003 31.823 -0.033 0.000 1.043 436 V HN 0.254 nan 8.190 nan 0.000 0.474 437 T N 1.468 116.048 114.554 0.044 0.000 3.738 437 T HA 0.105 4.455 4.350 0.000 0.000 0.231 437 T C 0.410 175.065 174.700 -0.074 0.000 0.967 437 T CA -0.199 61.894 62.100 -0.012 0.000 1.227 437 T CB -1.037 67.897 68.868 0.109 0.000 1.136 437 T HN 0.617 nan 8.240 nan 0.000 0.807 438 T N 3.705 118.170 114.554 -0.148 0.000 2.779 438 T HA 0.366 4.716 4.350 0.000 0.000 0.280 438 T C 0.378 175.010 174.700 -0.113 0.000 0.987 438 T CA -0.893 61.126 62.100 -0.135 0.000 0.966 438 T CB 1.291 70.038 68.868 -0.202 0.000 0.933 438 T HN 0.631 nan 8.240 nan 0.000 0.442 439 Q N 0.602 120.368 119.800 -0.057 0.000 2.494 439 Q HA -0.222 4.118 4.340 0.000 0.000 0.266 439 Q C 1.578 177.562 176.000 -0.026 0.000 1.053 439 Q CA 0.597 56.386 55.803 -0.024 0.000 1.029 439 Q CB -1.975 26.751 28.738 -0.021 0.000 1.423 439 Q HN 1.022 nan 8.270 nan 0.000 0.516 440 G N 1.249 110.026 108.800 -0.037 0.000 2.476 440 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 440 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 440 G C -0.947 173.971 174.900 0.030 0.000 1.164 440 G CA 1.406 46.494 45.100 -0.019 0.000 0.768 440 G HN 0.366 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.540 178.878 177.300 0.064 0.000 1.153 441 P CA 1.374 64.508 63.100 0.057 0.000 0.848 441 P CB -0.069 31.665 31.700 0.057 0.000 0.787 442 N N -0.880 117.855 118.700 0.059 0.000 2.309 442 N HA -0.119 4.621 4.740 0.000 0.000 0.182 442 N C 1.540 177.105 175.510 0.093 0.000 1.018 442 N CA 0.656 53.751 53.050 0.074 0.000 0.876 442 N CB -0.694 37.831 38.487 0.063 0.000 0.972 442 N HN 0.034 nan 8.380 nan 0.000 0.434 443 L N -0.515 120.748 121.223 0.067 0.000 2.102 443 L HA 0.216 4.556 4.340 0.000 0.000 0.202 443 L C 2.112 179.049 176.870 0.112 0.000 1.076 443 L CA 1.126 56.011 54.840 0.075 0.000 0.761 443 L CB -0.572 41.486 42.059 -0.002 0.000 0.921 443 L HN 0.122 nan 8.230 nan 0.000 0.444 444 A N 0.206 123.079 122.820 0.088 0.000 1.948 444 A HA -0.277 4.043 4.320 0.000 0.000 0.220 444 A C 2.198 179.832 177.584 0.084 0.000 1.177 444 A CA 2.125 54.215 52.037 0.089 0.000 0.636 444 A CB -1.044 18.001 19.000 0.075 0.000 0.815 444 A HN 0.544 nan 8.150 nan 0.000 0.449 445 L N -1.535 119.741 121.223 0.088 0.000 2.012 445 L HA -0.191 4.149 4.340 0.000 0.000 0.210 445 L C 2.261 179.187 176.870 0.092 0.000 1.073 445 L CA 2.576 57.459 54.840 0.071 0.000 0.748 445 L CB -1.110 41.009 42.059 0.100 0.000 0.891 445 L HN 0.505 nan 8.230 nan 0.000 0.431 446 Y N 0.155 120.471 120.300 0.026 0.000 2.151 446 Y HA -0.366 4.184 4.550 0.000 0.000 0.284 446 Y C 2.626 178.528 175.900 0.003 0.000 1.166 446 Y CA 2.341 60.456 58.100 0.024 0.000 1.163 446 Y CB -0.079 38.398 38.460 0.029 0.000 0.974 446 Y HN 0.434 nan 8.280 nan 0.000 0.511 447 Q N -0.641 119.312 119.800 0.255 0.000 2.050 447 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 447 Q C 2.219 178.235 176.000 0.025 0.000 0.980 447 Q CA 1.605 57.496 55.803 0.147 0.000 0.840 447 Q CB -0.462 28.343 28.738 0.111 0.000 0.898 447 Q HN 0.494 nan 8.270 nan 0.000 0.424 448 L N 1.138 122.353 121.223 -0.013 0.000 1.990 448 L HA -0.216 4.124 4.340 0.000 0.000 0.213 448 L C 2.078 178.875 176.870 -0.122 0.000 1.072 448 L CA 1.703 56.488 54.840 -0.092 0.000 0.755 448 L CB -0.654 41.291 42.059 -0.190 0.000 0.889 448 L HN 0.186 nan 8.230 nan 0.000 0.432 449 L N -0.726 120.419 121.223 -0.129 0.000 1.970 449 L HA -0.268 4.072 4.340 0.000 0.000 0.212 449 L C 2.671 179.336 176.870 -0.341 0.000 1.071 449 L CA 1.892 56.571 54.840 -0.269 0.000 0.751 449 L CB -1.218 40.701 42.059 -0.233 0.000 0.889 449 L HN 0.506 nan 8.230 nan 0.000 0.432 450 S N -1.223 114.339 115.700 -0.228 0.000 2.387 450 S HA -0.224 4.246 4.470 0.000 0.000 0.230 450 S C 1.904 176.414 174.600 -0.150 0.000 1.035 450 S CA 1.905 60.008 58.200 -0.161 0.000 1.014 450 S CB -1.092 62.099 63.200 -0.014 0.000 0.836 450 S HN 0.408 nan 8.310 nan 0.000 0.466 451 T N 2.945 117.423 114.554 -0.127 0.000 2.652 451 T HA -0.038 4.312 4.350 0.000 0.000 0.267 451 T C 2.264 176.895 174.700 -0.116 0.000 1.039 451 T CA 1.596 63.624 62.100 -0.120 0.000 1.153 451 T CB -0.941 67.864 68.868 -0.105 0.000 0.863 451 T HN 0.641 nan 8.240 nan 0.000 0.428 452 A N 1.089 123.826 122.820 -0.138 0.000 1.908 452 A HA -0.019 4.301 4.320 0.000 0.000 0.218 452 A C 2.287 179.798 177.584 -0.120 0.000 1.181 452 A CA 1.322 53.294 52.037 -0.108 0.000 0.627 452 A CB -0.950 17.965 19.000 -0.142 0.000 0.818 452 A HN 0.484 nan 8.150 nan 0.000 0.445 453 L N -1.069 120.025 121.223 -0.215 0.000 2.265 453 L HA -0.155 4.185 4.340 0.000 0.000 0.215 453 L C 1.818 178.650 176.870 -0.064 0.000 1.117 453 L CA 0.534 55.292 54.840 -0.136 0.000 0.782 453 L CB -0.344 41.606 42.059 -0.182 0.000 0.914 453 L HN 0.547 nan 8.230 nan 0.000 0.441 454 c N 1.107 119.656 118.600 -0.084 0.000 2.694 454 c HA 0.182 4.752 4.570 0.000 0.000 0.455 454 c C 1.634 175.699 174.090 -0.041 0.000 1.293 454 c CA -0.899 55.390 56.329 -0.067 0.000 1.614 454 c CB -2.318 40.142 42.510 -0.082 0.000 2.015 454 c HN 0.456 nan 8.230 nan 0.000 0.608 455 S N 0.907 116.597 115.700 -0.016 0.000 2.624 455 S HA 0.486 4.956 4.470 0.000 0.000 0.263 455 S C 1.409 175.976 174.600 -0.055 0.000 1.287 455 S CA 0.159 58.352 58.200 -0.012 0.000 0.990 455 S CB 1.168 64.388 63.200 0.034 0.000 0.950 455 S HN 0.801 nan 8.310 nan 0.000 0.561 456 A N 0.673 123.449 122.820 -0.073 0.000 2.024 456 A HA -0.044 4.276 4.320 0.000 0.000 0.220 456 A C 2.018 179.505 177.584 -0.163 0.000 1.164 456 A CA 1.497 53.467 52.037 -0.111 0.000 0.643 456 A CB -0.961 17.970 19.000 -0.115 0.000 0.806 456 A HN 0.845 nan 8.150 nan 0.000 0.451 457 L N -0.297 120.816 121.223 -0.184 0.000 2.027 457 L HA -0.093 4.247 4.340 0.000 0.000 0.206 457 L C 2.338 178.953 176.870 -0.426 0.000 1.074 457 L CA 2.554 57.186 54.840 -0.348 0.000 0.745 457 L CB -0.547 41.284 42.059 -0.379 0.000 0.898 457 L HN 0.566 nan 8.230 nan 0.000 0.433 458 E N 0.181 120.281 120.200 -0.166 0.000 2.001 458 E HA -0.277 4.073 4.350 0.000 0.000 0.195 458 E C 2.251 178.781 176.600 -0.116 0.000 1.002 458 E CA 2.179 58.605 56.400 0.044 0.000 0.819 458 E CB -0.770 28.990 29.700 0.100 0.000 0.769 458 E HN 0.460 nan 8.360 nan 0.000 0.454 459 I N 0.040 120.513 120.570 -0.163 0.000 2.300 459 I HA -0.235 3.935 4.170 0.000 0.000 0.252 459 I C 1.955 177.887 176.117 -0.309 0.000 1.119 459 I CA 1.893 63.025 61.300 -0.280 0.000 1.384 459 I CB -0.456 37.437 38.000 -0.178 0.000 1.062 459 I HN 0.342 nan 8.210 nan 0.000 0.426 460 G N -0.112 108.545 108.800 -0.238 0.000 2.404 460 G HA2 -0.193 3.767 3.960 0.000 0.000 0.214 460 G HA3 -0.193 3.767 3.960 0.000 0.000 0.214 460 G C 1.470 176.242 174.900 -0.215 0.000 1.189 460 G CA 0.303 45.270 45.100 -0.221 0.000 0.789 460 G HN 0.314 nan 8.290 nan 0.000 0.533 461 E N 0.467 120.535 120.200 -0.221 0.000 2.110 461 E HA -0.074 4.276 4.350 0.000 0.000 0.193 461 E C 2.858 179.390 176.600 -0.112 0.000 0.988 461 E CA 0.493 56.808 56.400 -0.143 0.000 0.804 461 E CB -0.521 29.128 29.700 -0.086 0.000 0.745 461 E HN 0.262 nan 8.360 nan 0.000 0.458 462 V N 1.145 120.958 119.914 -0.169 0.000 2.332 462 V HA -0.268 3.852 4.120 0.000 0.000 0.248 462 V C 2.409 178.367 176.094 -0.226 0.000 1.055 462 V CA 1.339 63.506 62.300 -0.221 0.000 1.038 462 V CB -0.438 31.140 31.823 -0.407 0.000 0.651 462 V HN 0.160 nan 8.190 nan 0.000 0.450 463 L N -0.258 120.795 121.223 -0.284 0.000 1.994 463 L HA -0.153 4.187 4.340 0.000 0.000 0.208 463 L C 2.558 179.363 176.870 -0.108 0.000 1.071 463 L CA 2.126 56.845 54.840 -0.201 0.000 0.745 463 L CB -1.074 40.863 42.059 -0.202 0.000 0.892 463 L HN 0.312 nan 8.230 nan 0.000 0.431 464 R N -0.056 120.382 120.500 -0.102 0.000 2.112 464 R HA -0.189 4.151 4.340 0.000 0.000 0.242 464 R C 2.202 178.484 176.300 -0.030 0.000 1.137 464 R CA 2.026 58.089 56.100 -0.061 0.000 0.944 464 R CB -1.298 28.965 30.300 -0.061 0.000 0.857 464 R HN 0.374 nan 8.270 nan 0.000 0.435 465 G N 0.309 109.093 108.800 -0.027 0.000 2.418 465 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 465 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 465 G C 1.528 176.440 174.900 0.019 0.000 1.158 465 G CA 1.001 46.109 45.100 0.012 0.000 0.771 465 G HN 0.318 nan 8.290 nan 0.000 0.545 466 L N 0.642 121.864 121.223 -0.001 0.000 2.012 466 L HA -0.132 4.208 4.340 0.000 0.000 0.210 466 L C 3.447 180.327 176.870 0.018 0.000 1.073 466 L CA 1.240 56.091 54.840 0.019 0.000 0.748 466 L CB -0.438 41.632 42.059 0.018 0.000 0.891 466 L HN 0.324 nan 8.230 nan 0.000 0.431 467 A N -0.123 122.698 122.820 0.002 0.000 1.877 467 A HA -0.158 4.162 4.320 0.000 0.000 0.216 467 A C 2.131 179.722 177.584 0.011 0.000 1.186 467 A CA 1.423 53.462 52.037 0.004 0.000 0.620 467 A CB -0.733 18.262 19.000 -0.009 0.000 0.822 467 A HN 0.391 nan 8.150 nan 0.000 0.443 468 L N -0.880 120.350 121.223 0.012 0.000 2.552 468 L HA 0.108 4.448 4.340 0.000 0.000 0.227 468 L C 1.670 178.558 176.870 0.029 0.000 1.146 468 L CA 0.499 55.351 54.840 0.019 0.000 0.858 468 L CB -0.408 41.663 42.059 0.020 0.000 0.969 468 L HN 0.633 nan 8.230 nan 0.000 0.451 469 G N 0.191 109.012 108.800 0.035 0.000 2.179 469 G HA2 -0.368 3.592 3.960 0.000 0.000 0.257 469 G HA3 -0.368 3.592 3.960 0.000 0.000 0.257 469 G C 0.940 175.874 174.900 0.057 0.000 1.010 469 G CA 0.754 45.880 45.100 0.043 0.000 0.736 469 G HN 0.425 nan 8.290 nan 0.000 0.513 470 T N -3.028 111.573 114.554 0.078 0.000 2.976 470 T HA 0.317 4.667 4.350 0.000 0.000 0.257 470 T C 0.838 175.661 174.700 0.205 0.000 1.051 470 T CA 1.364 63.535 62.100 0.119 0.000 1.141 470 T CB 0.411 69.372 68.868 0.155 0.000 0.881 470 T HN 0.428 nan 8.240 nan 0.000 0.461 471 E N 1.698 121.997 120.200 0.165 0.000 2.175 471 E HA 0.465 4.815 4.350 0.000 0.000 0.278 471 E C 1.095 177.753 176.600 0.097 0.000 0.969 471 E CA -0.206 56.281 56.400 0.146 0.000 0.796 471 E CB 1.813 31.531 29.700 0.030 0.000 1.104 471 E HN 0.238 nan 8.360 nan 0.000 0.395 472 S N 3.132 118.889 115.700 0.096 0.000 2.406 472 S HA 0.104 4.574 4.470 0.000 0.000 0.228 472 S C 1.508 176.152 174.600 0.073 0.000 1.020 472 S CA 0.426 58.664 58.200 0.065 0.000 0.965 472 S CB -0.394 62.831 63.200 0.042 0.000 0.798 472 S HN 1.188 nan 8.310 nan 0.000 0.488 473 G N 0.829 109.681 108.800 0.088 0.000 2.132 473 G HA2 -0.218 3.742 3.960 0.000 0.000 0.228 473 G HA3 -0.218 3.742 3.960 0.000 0.000 0.228 473 G C 0.362 175.376 174.900 0.190 0.000 1.000 473 G CA 0.332 45.527 45.100 0.159 0.000 0.693 473 G HN 0.624 nan 8.290 nan 0.000 0.515 474 L N -0.659 120.616 121.223 0.086 0.000 2.056 474 L HA 0.568 4.908 4.340 0.000 0.000 0.207 474 L C 0.936 177.911 176.870 0.175 0.000 1.078 474 L CA 2.143 56.993 54.840 0.016 0.000 0.749 474 L CB -0.162 41.773 42.059 -0.207 0.000 0.901 474 L HN 0.599 nan 8.230 nan 0.000 0.433 475 F N -1.012 118.937 119.950 -0.002 0.000 2.599 475 F HA 0.600 5.127 4.527 0.000 0.000 0.311 475 F C -0.678 175.071 175.800 -0.086 0.000 1.076 475 F CA -0.319 57.747 58.000 0.110 0.000 0.937 475 F CB 1.566 40.551 39.000 -0.024 0.000 1.282 475 F HN -0.200 nan 8.300 nan 0.000 0.460 476 S N 4.625 119.310 115.700 -1.692 0.000 2.560 476 S HA 0.377 4.847 4.470 0.000 0.000 0.283 476 S C -2.551 171.201 174.600 -1.414 0.000 1.141 476 S CA -1.012 56.324 58.200 -1.440 0.000 0.902 476 S CB 1.908 64.515 63.200 -0.988 0.000 1.104 476 S HN 0.490 nan 8.310 nan 0.000 0.454 477 P HA 0.016 nan 4.420 nan 0.000 0.226 477 P C 1.254 178.394 177.300 -0.267 0.000 1.146 477 P CA 0.765 63.638 63.100 -0.378 0.000 0.773 477 P CB -0.410 31.175 31.700 -0.193 0.000 0.772 478 c N -1.735 116.652 118.600 -0.355 0.000 2.457 478 c HA -0.079 4.491 4.570 0.000 0.000 0.278 478 c C 2.481 176.511 174.090 -0.100 0.000 1.309 478 c CA 0.298 56.508 56.329 -0.199 0.000 1.735 478 c CB -2.131 40.316 42.510 -0.107 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.988 121.195 120.300 -0.155 0.000 2.446 479 Y HA -0.078 4.472 4.550 0.000 0.000 0.287 479 Y C 1.776 177.650 175.900 -0.043 0.000 1.159 479 Y CA 1.045 59.074 58.100 -0.118 0.000 1.297 479 Y CB -0.752 37.644 38.460 -0.106 0.000 0.974 479 Y HN 0.305 nan 8.280 nan 0.000 0.557 480 L N -1.900 119.393 121.223 0.116 0.000 3.039 480 L HA 0.187 4.528 4.340 0.000 0.000 0.269 480 L C 0.996 177.902 176.870 0.060 0.000 1.169 480 L CA -0.015 54.891 54.840 0.110 0.000 0.986 480 L CB -0.121 42.035 42.059 0.161 0.000 1.377 480 L HN -0.089 nan 8.230 nan 0.000 0.575 481 S N 0.134 115.824 115.700 -0.016 0.000 2.589 481 S HA 0.278 4.748 4.470 0.000 0.000 0.265 481 S C 0.580 175.042 174.600 -0.230 0.000 1.342 481 S CA -0.288 57.853 58.200 -0.099 0.000 1.005 481 S CB 0.506 63.624 63.200 -0.137 0.000 0.909 481 S HN 0.218 nan 8.310 nan 0.000 0.555 482 L N 0.883 121.924 121.223 -0.304 0.000 2.978 482 L HA 0.334 4.674 4.340 0.000 0.000 0.239 482 L C 1.071 177.349 176.870 -0.987 0.000 1.293 482 L CA -0.150 54.327 54.840 -0.606 0.000 1.085 482 L CB -0.286 41.691 42.059 -0.137 0.000 1.432 482 L HN 0.566 nan 8.230 nan 0.000 0.512 483 R N 1.011 121.030 120.500 -0.800 0.000 2.369 483 R HA 0.203 4.543 4.340 0.000 0.000 0.310 483 R C -0.495 175.510 176.300 -0.493 0.000 1.141 483 R CA -0.425 55.371 56.100 -0.506 0.000 1.116 483 R CB 0.200 30.364 30.300 -0.227 0.000 1.135 483 R HN 0.104 nan 8.270 nan 0.000 0.529 484 F N 1.134 121.102 119.950 0.030 0.000 2.713 484 F HA 0.134 4.661 4.527 0.000 0.000 0.294 484 F C 1.418 177.232 175.800 0.025 0.000 1.152 484 F CA -0.486 57.529 58.000 0.026 0.000 1.385 484 F CB 0.188 39.201 39.000 0.022 0.000 0.981 484 F HN 0.412 nan 8.300 nan 0.000 0.514 485 D N 0.866 121.327 120.400 0.101 0.000 2.240 485 D HA -0.031 4.610 4.640 0.000 0.000 0.206 485 D C 0.693 177.033 176.300 0.066 0.000 0.963 485 D CA 0.468 54.515 54.000 0.078 0.000 0.863 485 D CB 0.135 40.960 40.800 0.041 0.000 0.973 485 D HN 0.118 nan 8.370 nan 0.000 0.501 486 L N 1.605 122.867 121.223 0.064 0.000 2.456 486 L HA 0.366 4.707 4.340 0.000 0.000 0.277 486 L C 0.585 177.505 176.870 0.083 0.000 1.124 486 L CA -0.268 54.617 54.840 0.075 0.000 0.880 486 L CB -0.338 41.785 42.059 0.107 0.000 1.192 486 L HN 0.013 nan 8.230 nan 0.000 0.463 487 T N -0.450 114.144 114.554 0.066 0.000 2.841 487 T HA 0.531 4.882 4.350 0.000 0.000 0.276 487 T C 1.055 175.788 174.700 0.056 0.000 1.003 487 T CA -0.657 61.478 62.100 0.059 0.000 0.995 487 T CB 1.358 70.253 68.868 0.045 0.000 1.260 487 T HN 0.482 nan 8.240 nan 0.000 0.581 488 R N 0.803 121.330 120.500 0.045 0.000 2.112 488 R HA -0.136 4.204 4.340 0.000 0.000 0.242 488 R C 1.724 178.043 176.300 0.030 0.000 1.137 488 R CA 2.464 58.589 56.100 0.040 0.000 0.944 488 R CB -1.308 29.009 30.300 0.029 0.000 0.857 488 R HN 0.776 nan 8.270 nan 0.000 0.435 489 D N -0.424 119.990 120.400 0.022 0.000 2.091 489 D HA -0.132 4.508 4.640 0.000 0.000 0.199 489 D C 1.692 177.997 176.300 0.008 0.000 0.980 489 D CA 1.192 55.200 54.000 0.012 0.000 0.831 489 D CB -0.258 40.547 40.800 0.009 0.000 0.987 489 D HN 0.086 nan 8.370 nan 0.000 0.460 490 K N 1.519 121.927 120.400 0.014 0.000 2.074 490 K HA -0.134 4.186 4.320 0.000 0.000 0.209 490 K C 2.224 178.826 176.600 0.004 0.000 1.048 490 K CA 0.931 57.222 56.287 0.008 0.000 0.926 490 K CB -0.725 31.786 32.500 0.019 0.000 0.713 490 K HN 0.079 nan 8.250 nan 0.000 0.444 491 L N 0.039 121.277 121.223 0.025 0.000 2.046 491 L HA -0.112 4.228 4.340 0.000 0.000 0.208 491 L C 2.388 179.251 176.870 -0.011 0.000 1.077 491 L CA 1.029 55.884 54.840 0.024 0.000 0.747 491 L CB -0.277 41.831 42.059 0.081 0.000 0.896 491 L HN 0.225 nan 8.230 nan 0.000 0.432 492 L N -1.167 120.054 121.223 -0.005 0.000 2.265 492 L HA -0.202 4.139 4.340 0.000 0.000 0.215 492 L C 2.436 179.285 176.870 -0.035 0.000 1.117 492 L CA 0.757 55.586 54.840 -0.018 0.000 0.782 492 L CB -0.052 42.002 42.059 -0.009 0.000 0.914 492 L HN 0.267 nan 8.230 nan 0.000 0.441 493 S N -0.670 115.008 115.700 -0.037 0.000 2.362 493 S HA -0.145 4.325 4.470 0.000 0.000 0.221 493 S C 1.743 176.301 174.600 -0.070 0.000 1.032 493 S CA 1.124 59.292 58.200 -0.053 0.000 0.973 493 S CB -0.130 63.039 63.200 -0.051 0.000 0.849 493 S HN 0.271 nan 8.310 nan 0.000 0.465 494 M N 1.771 121.327 119.600 -0.074 0.000 2.374 494 M HA 0.163 4.644 4.480 0.000 0.000 0.264 494 M C 0.907 177.143 176.300 -0.108 0.000 1.067 494 M CA 0.148 55.389 55.300 -0.098 0.000 1.103 494 M CB -0.767 31.769 32.600 -0.106 0.000 1.402 494 M HN 0.228 nan 8.290 nan 0.000 0.444 495 A N 2.111 124.875 122.820 -0.093 0.000 2.561 495 A HA 0.200 4.520 4.320 0.000 0.000 0.234 495 A C -2.026 175.506 177.584 -0.086 0.000 1.055 495 A CA -0.940 51.042 52.037 -0.091 0.000 0.756 495 A CB -1.011 17.949 19.000 -0.067 0.000 0.986 495 A HN 0.219 nan 8.150 nan 0.000 0.505 496 P HA 0.072 nan 4.420 nan 0.000 0.271 496 P C -1.012 176.252 177.300 -0.061 0.000 1.220 496 P CA 0.112 63.165 63.100 -0.078 0.000 0.768 496 P CB 0.663 32.317 31.700 -0.076 0.000 0.848 497 Q N 3.020 122.785 119.800 -0.058 0.000 2.503 497 Q HA 0.305 4.646 4.340 0.000 0.000 0.227 497 Q C -0.280 175.696 176.000 -0.040 0.000 1.109 497 Q CA 0.193 55.968 55.803 -0.048 0.000 0.922 497 Q CB 0.941 29.649 28.738 -0.050 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.040 120.219 120.200 -0.034 0.000 2.352 498 E HA 0.410 4.760 4.350 0.000 0.000 0.280 498 E C -0.360 176.227 176.600 -0.021 0.000 0.930 498 E CA -0.440 55.944 56.400 -0.028 0.000 0.765 498 E CB 1.571 31.254 29.700 -0.028 0.000 1.219 498 E HN 0.474 nan 8.360 nan 0.000 0.434 499 A N 1.197 124.006 122.820 -0.017 0.000 2.206 499 A HA -0.038 4.282 4.320 0.000 0.000 0.211 499 A C 1.494 179.072 177.584 -0.011 0.000 1.158 499 A CA 0.994 53.023 52.037 -0.013 0.000 0.761 499 A CB -0.316 18.677 19.000 -0.011 0.000 0.801 499 A HN 0.545 nan 8.150 nan 0.000 0.473 500 T N -0.236 114.311 114.554 -0.012 0.000 3.118 500 T HA 0.248 4.598 4.350 0.000 0.000 0.260 500 T C -0.035 174.660 174.700 -0.008 0.000 1.139 500 T CA 0.477 62.572 62.100 -0.009 0.000 1.085 500 T CB -0.292 68.570 68.868 -0.009 0.000 0.934 500 T HN 0.154 nan 8.240 nan 0.000 0.518 501 L N 1.641 122.857 121.223 -0.011 0.000 2.333 501 L HA 0.418 4.758 4.340 0.000 0.000 0.280 501 L C -0.252 176.612 176.870 -0.010 0.000 1.004 501 L CA -0.956 53.877 54.840 -0.011 0.000 0.820 501 L CB 1.458 43.507 42.059 -0.018 0.000 1.247 501 L HN -0.119 nan 8.230 nan 0.000 0.416 502 D N 2.168 122.565 120.400 -0.005 0.000 2.402 502 D HA -0.034 4.606 4.640 0.000 0.000 0.268 502 D C 1.119 177.415 176.300 -0.006 0.000 1.294 502 D CA 0.340 54.338 54.000 -0.004 0.000 0.945 502 D CB 0.859 41.659 40.800 0.000 0.000 1.112 502 D HN 0.389 nan 8.370 nan 0.000 0.517 503 Q N 3.075 122.871 119.800 -0.007 0.000 2.217 503 Q HA -0.270 4.070 4.340 0.000 0.000 0.209 503 Q C 1.732 177.729 176.000 -0.005 0.000 0.988 503 Q CA 1.651 57.449 55.803 -0.008 0.000 0.878 503 Q CB -0.269 28.464 28.738 -0.009 0.000 0.909 503 Q HN 0.696 nan 8.270 nan 0.000 0.424 504 A N 0.704 123.523 122.820 -0.002 0.000 1.872 504 A HA 0.012 4.332 4.320 0.000 0.000 0.214 504 A C 2.359 179.944 177.584 0.003 0.000 1.187 504 A CA 1.617 53.655 52.037 0.001 0.000 0.614 504 A CB -0.678 18.323 19.000 0.002 0.000 0.826 504 A HN 0.369 nan 8.150 nan 0.000 0.442 505 A N -0.294 122.528 122.820 0.003 0.000 1.908 505 A HA -0.055 4.265 4.320 0.000 0.000 0.218 505 A C 2.217 179.803 177.584 0.004 0.000 1.181 505 A CA 1.945 53.985 52.037 0.005 0.000 0.627 505 A CB -1.079 17.924 19.000 0.005 0.000 0.818 505 A HN 0.435 nan 8.150 nan 0.000 0.445 506 V N -0.370 119.543 119.914 -0.003 0.000 2.287 506 V HA -0.265 3.855 4.120 0.000 0.000 0.248 506 V C 2.779 178.872 176.094 -0.002 0.000 1.053 506 V CA 2.392 64.687 62.300 -0.009 0.000 1.027 506 V CB -1.067 30.746 31.823 -0.017 0.000 0.646 506 V HN 0.668 nan 8.190 nan 0.000 0.447 507 S N 0.338 116.039 115.700 0.002 0.000 2.365 507 S HA -0.260 4.210 4.470 0.000 0.000 0.225 507 S C 1.950 176.561 174.600 0.018 0.000 1.039 507 S CA 2.033 60.238 58.200 0.008 0.000 1.033 507 S CB -0.525 62.679 63.200 0.007 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.751 120.461 118.700 0.018 0.000 2.104 508 N HA -0.078 4.662 4.740 0.000 0.000 0.190 508 N C 1.969 177.502 175.510 0.039 0.000 1.024 508 N CA 1.378 54.443 53.050 0.025 0.000 0.853 508 N CB -0.896 37.604 38.487 0.021 0.000 1.008 508 N HN 0.527 nan 8.380 nan 0.000 0.424 509 A N 1.270 124.110 122.820 0.033 0.000 1.865 509 A HA -0.112 4.208 4.320 0.000 0.000 0.217 509 A C 2.588 180.218 177.584 0.076 0.000 1.191 509 A CA 1.744 53.808 52.037 0.045 0.000 0.623 509 A CB -0.947 18.059 19.000 0.010 0.000 0.826 509 A HN 0.110 nan 8.150 nan 0.000 0.444 510 V N 0.729 120.674 119.914 0.051 0.000 2.287 510 V HA -0.295 3.825 4.120 0.000 0.000 0.248 510 V C 2.209 178.374 176.094 0.118 0.000 1.053 510 V CA 2.332 64.679 62.300 0.078 0.000 1.027 510 V CB -0.920 30.926 31.823 0.039 0.000 0.646 510 V HN 0.523 nan 8.190 nan 0.000 0.447 511 D N 0.559 121.006 120.400 0.078 0.000 2.097 511 D HA -0.119 4.521 4.640 0.000 0.000 0.195 511 D C 2.221 178.568 176.300 0.078 0.000 0.989 511 D CA 1.793 55.833 54.000 0.066 0.000 0.827 511 D CB -0.386 40.438 40.800 0.040 0.000 0.966 511 D HN 0.496 nan 8.370 nan 0.000 0.456 512 G N 0.541 109.394 108.800 0.089 0.000 2.459 512 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 512 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 512 G C 1.500 176.479 174.900 0.131 0.000 1.183 512 G CA 0.373 45.526 45.100 0.090 0.000 0.776 512 G HN 0.190 nan 8.290 nan 0.000 0.552 513 F N 0.978 120.947 119.950 0.033 0.000 2.069 513 F HA -0.077 4.450 4.527 0.000 0.000 0.298 513 F C 2.405 178.244 175.800 0.065 0.000 1.113 513 F CA 1.513 59.551 58.000 0.064 0.000 1.214 513 F CB -0.535 38.493 39.000 0.046 0.000 0.978 513 F HN 0.110 nan 8.300 nan 0.000 0.474 514 L N 0.435 121.726 121.223 0.113 0.000 2.081 514 L HA -0.079 4.261 4.340 0.000 0.000 0.212 514 L C 2.399 179.236 176.870 -0.056 0.000 1.080 514 L CA 2.187 57.034 54.840 0.012 0.000 0.754 514 L CB -1.450 40.648 42.059 0.066 0.000 0.893 514 L HN 0.232 nan 8.230 nan 0.000 0.433 515 G N -1.058 107.719 108.800 -0.038 0.000 2.434 515 G HA2 -0.310 3.650 3.960 0.000 0.000 0.214 515 G HA3 -0.310 3.650 3.960 0.000 0.000 0.214 515 G C 1.748 176.575 174.900 -0.121 0.000 1.202 515 G CA 0.656 45.721 45.100 -0.059 0.000 0.788 515 G HN 0.409 nan 8.290 nan 0.000 0.539 516 R N -0.150 120.253 120.500 -0.161 0.000 2.193 516 R HA 0.136 4.476 4.340 0.000 0.000 0.229 516 R C 2.394 178.453 176.300 -0.402 0.000 1.110 516 R CA 0.747 56.683 56.100 -0.272 0.000 0.988 516 R CB -0.300 29.831 30.300 -0.282 0.000 0.871 516 R HN 0.417 nan 8.270 nan 0.000 0.458 517 L N 0.246 121.262 121.223 -0.344 0.000 2.109 517 L HA -0.099 4.241 4.340 0.000 0.000 0.207 517 L C 2.103 178.884 176.870 -0.148 0.000 1.086 517 L CA 1.570 56.244 54.840 -0.277 0.000 0.760 517 L CB -0.151 41.727 42.059 -0.302 0.000 0.910 517 L HN 0.343 nan 8.230 nan 0.000 0.437 518 S N -1.236 114.396 115.700 -0.114 0.000 2.522 518 S HA -0.028 4.442 4.470 0.000 0.000 0.227 518 S C 1.672 176.232 174.600 -0.066 0.000 0.986 518 S CA 0.362 58.528 58.200 -0.056 0.000 0.929 518 S CB -0.127 63.051 63.200 -0.037 0.000 0.769 518 S HN 0.433 nan 8.310 nan 0.000 0.529 519 L N 0.013 121.168 121.223 -0.115 0.000 2.362 519 L HA 0.307 4.647 4.340 0.000 0.000 0.204 519 L C 2.801 179.598 176.870 -0.122 0.000 1.060 519 L CA 0.813 55.587 54.840 -0.109 0.000 0.827 519 L CB -0.326 41.657 42.059 -0.127 0.000 1.027 519 L HN 0.256 nan 8.230 nan 0.000 0.474 520 E N 0.752 120.830 120.200 -0.202 0.000 2.106 520 E HA -0.100 4.251 4.350 0.000 0.000 0.192 520 E C 1.058 177.608 176.600 -0.083 0.000 0.984 520 E CA 0.755 57.035 56.400 -0.199 0.000 0.806 520 E CB 0.263 29.689 29.700 -0.456 0.000 0.750 520 E HN 0.105 nan 8.360 nan 0.000 0.458 521 R N 0.281 120.748 120.500 -0.055 0.000 2.532 521 R HA 0.264 4.604 4.340 0.000 0.000 0.295 521 R C -0.493 175.833 176.300 0.043 0.000 0.968 521 R CA -0.431 55.688 56.100 0.031 0.000 0.916 521 R CB 0.831 31.181 30.300 0.082 0.000 1.124 521 R HN -0.024 nan 8.270 nan 0.000 0.463 522 E N 1.855 122.098 120.200 0.071 0.000 2.404 522 E HA 0.134 4.484 4.350 0.000 0.000 0.264 522 E C -0.534 176.115 176.600 0.081 0.000 0.946 522 E CA -0.744 55.696 56.400 0.067 0.000 0.806 522 E CB 1.437 31.174 29.700 0.063 0.000 1.334 522 E HN 0.596 nan 8.360 nan 0.000 0.429 523 D N 0.169 120.613 120.400 0.073 0.000 2.234 523 D HA -0.042 4.598 4.640 0.000 0.000 0.205 523 D C 1.612 177.983 176.300 0.119 0.000 0.962 523 D CA 0.570 54.577 54.000 0.011 0.000 0.855 523 D CB 0.125 40.950 40.800 0.042 0.000 0.951 523 D HN 0.189 nan 8.370 nan 0.000 0.500 524 R N 0.777 121.466 120.500 0.316 0.000 2.241 524 R HA -0.121 4.219 4.340 0.000 0.000 0.224 524 R C 0.113 176.595 176.300 0.304 0.000 1.101 524 R CA 0.955 57.315 56.100 0.432 0.000 0.995 524 R CB 0.019 30.400 30.300 0.136 0.000 0.870 524 R HN 0.092 nan 8.270 nan 0.000 0.463 525 D N -0.702 119.793 120.400 0.159 0.000 2.338 525 D HA 0.048 4.688 4.640 0.000 0.000 0.239 525 D C -0.182 176.172 176.300 0.090 0.000 1.095 525 D CA 0.505 54.581 54.000 0.128 0.000 0.888 525 D CB 0.902 41.776 40.800 0.123 0.000 0.899 525 D HN 0.233 nan 8.370 nan 0.000 0.525 526 A N -0.753 122.034 122.820 -0.055 0.000 3.165 526 A HA 0.271 4.592 4.320 0.000 0.000 0.212 526 A C 0.062 177.245 177.584 -0.669 0.000 0.935 526 A CA -0.663 51.243 52.037 -0.219 0.000 1.100 526 A CB -0.635 18.289 19.000 -0.127 0.000 1.260 526 A HN 0.150 nan 8.150 nan 0.000 0.532 527 W N -1.196 119.811 121.300 -0.488 0.000 2.735 527 W HA 0.164 4.824 4.660 0.000 0.000 0.264 527 W C 1.827 178.173 176.519 -0.289 0.000 1.233 527 W CA 0.818 57.836 57.345 -0.544 0.000 1.408 527 W CB -0.044 29.114 29.460 -0.503 0.000 1.038 527 W HN 0.593 nan 8.180 nan 0.000 0.603 528 H N 0.290 119.433 119.070 0.122 0.000 2.518 528 H HA 0.017 4.573 4.556 0.000 0.000 0.292 528 H C 0.608 175.979 175.328 0.072 0.000 1.068 528 H CA 0.760 56.861 56.048 0.088 0.000 1.275 528 H CB -0.522 29.280 29.762 0.066 0.000 1.375 528 H HN 0.027 nan 8.280 nan 0.000 0.563 529 L N 2.253 123.563 121.223 0.145 0.000 2.418 529 L HA 0.029 4.370 4.340 0.000 0.000 0.274 529 L C -1.070 175.882 176.870 0.136 0.000 1.135 529 L CA -1.439 53.478 54.840 0.129 0.000 0.870 529 L CB 1.208 43.339 42.059 0.119 0.000 1.154 529 L HN -0.030 nan 8.230 nan 0.000 0.462 530 P HA -0.187 nan 4.420 nan 0.000 0.215 530 P C 1.111 178.467 177.300 0.094 0.000 1.157 530 P CA 1.320 64.480 63.100 0.101 0.000 0.868 530 P CB 0.237 31.983 31.700 0.077 0.000 0.788 531 A N -1.942 120.928 122.820 0.083 0.000 2.067 531 A HA -0.197 4.123 4.320 0.000 0.000 0.219 531 A C 2.110 179.724 177.584 0.050 0.000 1.158 531 A CA 0.884 52.952 52.037 0.051 0.000 0.661 531 A CB -1.795 17.224 19.000 0.032 0.000 0.801 531 A HN 0.126 nan 8.150 nan 0.000 0.452 532 Y N 1.492 121.768 120.300 -0.041 0.000 2.102 532 Y HA -0.320 4.230 4.550 0.000 0.000 0.280 532 Y C 1.945 177.782 175.900 -0.105 0.000 1.178 532 Y CA 2.471 60.508 58.100 -0.105 0.000 1.146 532 Y CB -0.259 38.100 38.460 -0.169 0.000 0.968 532 Y HN 0.369 nan 8.280 nan 0.000 0.504 533 K N -1.157 119.279 120.400 0.060 0.000 2.520 533 K HA -0.132 4.188 4.320 0.000 0.000 0.197 533 K C 1.368 177.922 176.600 -0.076 0.000 1.043 533 K CA 0.952 57.244 56.287 0.009 0.000 0.944 533 K CB -0.470 32.074 32.500 0.073 0.000 0.770 533 K HN 0.324 nan 8.250 nan 0.000 0.480 534 c N 0.581 119.114 118.600 -0.111 0.000 2.855 534 c HA 0.187 4.757 4.570 0.000 0.000 0.279 534 c C 0.434 174.435 174.090 -0.148 0.000 1.270 534 c CA -0.724 55.542 56.329 -0.105 0.000 1.702 534 c CB -0.568 41.899 42.510 -0.071 0.000 1.949 534 c HN 0.019 nan 8.230 nan 0.000 0.618 535 V N 2.057 121.827 119.914 -0.240 0.000 2.328 535 V HA 0.234 4.354 4.120 0.000 0.000 0.278 535 V C 0.244 176.204 176.094 -0.224 0.000 1.021 535 V CA -0.001 62.155 62.300 -0.240 0.000 0.838 535 V CB 1.043 32.675 31.823 -0.318 0.000 0.999 535 V HN 0.246 nan 8.190 nan 0.000 0.447 536 D N 3.107 123.417 120.400 -0.151 0.000 2.087 536 D HA -0.026 4.614 4.640 0.000 0.000 0.203 536 D C 1.190 177.418 176.300 -0.120 0.000 0.976 536 D CA 1.303 55.231 54.000 -0.119 0.000 0.865 536 D CB 0.110 40.857 40.800 -0.089 0.000 1.005 536 D HN 0.406 nan 8.370 nan 0.000 0.449 537 R N 1.928 122.368 120.500 -0.099 0.000 3.266 537 R HA 0.148 4.488 4.340 0.000 0.000 0.224 537 R C 1.294 177.532 176.300 -0.104 0.000 1.525 537 R CA -0.092 55.958 56.100 -0.083 0.000 1.364 537 R CB -0.144 30.125 30.300 -0.052 0.000 1.276 537 R HN 0.318 nan 8.270 nan 0.000 0.660 538 L N -0.597 120.533 121.223 -0.154 0.000 2.376 538 L HA -0.063 4.277 4.340 0.000 0.000 0.219 538 L C 1.431 178.212 176.870 -0.149 0.000 1.133 538 L CA 1.129 55.848 54.840 -0.201 0.000 0.816 538 L CB -0.295 41.569 42.059 -0.324 0.000 0.933 538 L HN 0.295 nan 8.230 nan 0.000 0.449 539 D N 0.746 121.085 120.400 -0.102 0.000 2.264 539 D HA -0.193 4.447 4.640 0.000 0.000 0.208 539 D C 0.992 177.271 176.300 -0.035 0.000 0.966 539 D CA 0.876 54.833 54.000 -0.070 0.000 0.864 539 D CB -0.202 40.570 40.800 -0.047 0.000 0.933 539 D HN 0.530 nan 8.370 nan 0.000 0.499 540 K N 0.986 121.371 120.400 -0.024 0.000 2.577 540 K HA 0.236 4.556 4.320 0.000 0.000 0.210 540 K C -0.316 176.302 176.600 0.030 0.000 1.048 540 K CA -0.206 56.088 56.287 0.011 0.000 1.188 540 K CB 1.547 34.061 32.500 0.023 0.000 0.910 540 K HN 0.004 nan 8.250 nan 0.000 0.483 541 V N 2.394 122.319 119.914 0.018 0.000 2.364 541 V HA 0.112 4.232 4.120 0.000 0.000 0.272 541 V C 1.427 177.608 176.094 0.143 0.000 1.036 541 V CA -0.231 62.106 62.300 0.062 0.000 0.880 541 V CB 1.123 32.956 31.823 0.015 0.000 0.991 541 V HN 0.295 nan 8.190 nan 0.000 0.460 542 L N 4.480 125.787 121.223 0.141 0.000 2.034 542 L HA 0.205 4.545 4.340 0.000 0.000 0.203 542 L C 0.763 177.747 176.870 0.189 0.000 1.074 542 L CA 1.369 56.295 54.840 0.142 0.000 0.748 542 L CB -0.070 42.037 42.059 0.080 0.000 0.905 542 L HN 0.735 nan 8.230 nan 0.000 0.439 543 M N -0.118 119.584 119.600 0.171 0.000 2.449 543 M HA 0.439 4.919 4.480 0.000 0.000 0.291 543 M C -1.760 174.630 176.300 0.150 0.000 1.148 543 M CA -0.721 54.655 55.300 0.127 0.000 0.925 543 M CB 2.388 34.989 32.600 0.001 0.000 1.767 543 M HN 0.028 nan 8.290 nan 0.000 0.503 544 I N 1.164 121.833 120.570 0.165 0.000 2.412 544 I HA 0.638 4.809 4.170 0.000 0.000 0.296 544 I C -1.215 174.972 176.117 0.116 0.000 0.987 544 I CA -0.949 60.451 61.300 0.168 0.000 1.180 544 I CB 1.702 39.830 38.000 0.213 0.000 1.340 544 I HN 0.762 nan 8.210 nan 0.000 0.455 545 I N 6.374 127.032 120.570 0.147 0.000 2.428 545 I HA 0.362 4.532 4.170 0.000 0.000 0.279 545 I C -2.442 173.748 176.117 0.122 0.000 1.040 545 I CA -1.883 59.489 61.300 0.119 0.000 1.171 545 I CB 1.199 39.290 38.000 0.151 0.000 1.312 545 I HN 0.298 nan 8.210 nan 0.000 0.470 546 P HA 0.154 nan 4.420 nan 0.000 0.269 546 P C -0.511 176.776 177.300 -0.022 0.000 1.252 546 P CA -0.066 63.053 63.100 0.031 0.000 0.780 546 P CB 0.634 32.348 31.700 0.023 0.000 0.829 547 L N 3.716 124.969 121.223 0.049 0.000 2.492 547 L HA 0.391 4.731 4.340 0.000 0.000 0.263 547 L C 1.758 178.683 176.870 0.093 0.000 1.062 547 L CA -0.545 54.340 54.840 0.075 0.000 0.817 547 L CB 0.100 42.300 42.059 0.236 0.000 1.441 547 L HN 0.262 nan 8.230 nan 0.000 0.493 548 I N 0.117 120.788 120.570 0.170 0.000 2.110 548 I HA -0.205 3.966 4.170 0.000 0.000 0.236 548 I C 1.287 177.478 176.117 0.123 0.000 1.068 548 I CA 1.254 62.650 61.300 0.161 0.000 1.333 548 I CB -0.224 37.902 38.000 0.210 0.000 1.054 548 I HN 0.610 nan 8.210 nan 0.000 0.402 549 N N 0.064 118.844 118.700 0.134 0.000 2.299 549 N HA 0.104 4.844 4.740 0.000 0.000 0.187 549 N C -0.046 175.497 175.510 0.055 0.000 1.099 549 N CA 0.395 53.501 53.050 0.094 0.000 0.867 549 N CB 1.055 39.605 38.487 0.106 0.000 0.974 549 N HN 0.302 nan 8.380 nan 0.000 0.477 550 V N -3.003 116.939 119.914 0.046 0.000 3.112 550 V HA 0.748 4.868 4.120 0.000 0.000 0.310 550 V C -0.937 175.132 176.094 -0.042 0.000 1.364 550 V CA -0.830 61.443 62.300 -0.045 0.000 1.058 550 V CB 1.602 33.329 31.823 -0.160 0.000 1.079 550 V HN 0.065 nan 8.190 nan 0.000 0.463 551 T N -1.270 113.199 114.554 -0.142 0.000 3.143 551 T HA 0.671 5.022 4.350 0.000 0.000 0.312 551 T C -1.177 173.443 174.700 -0.134 0.000 0.986 551 T CA -0.046 62.023 62.100 -0.050 0.000 1.024 551 T CB 0.668 69.540 68.868 0.008 0.000 1.030 551 T HN 0.616 nan 8.240 nan 0.000 0.448 552 F N 2.290 122.275 119.950 0.058 0.000 2.396 552 F HA 0.603 5.130 4.527 0.000 0.000 0.343 552 F C 0.620 176.459 175.800 0.065 0.000 1.104 552 F CA -1.113 56.926 58.000 0.065 0.000 1.161 552 F CB 1.040 40.080 39.000 0.066 0.000 1.146 552 F HN 0.480 nan 8.300 nan 0.000 0.522 553 I N 5.273 125.985 120.570 0.237 0.000 2.437 553 I HA 0.253 4.423 4.170 0.000 0.000 0.279 553 I C -0.957 175.268 176.117 0.179 0.000 1.028 553 I CA -0.577 60.822 61.300 0.165 0.000 1.142 553 I CB 0.961 39.011 38.000 0.083 0.000 1.266 553 I HN 0.317 nan 8.210 nan 0.000 0.461 554 I N 6.247 126.917 120.570 0.167 0.000 2.352 554 I HA 0.274 4.444 4.170 0.000 0.000 0.290 554 I C 0.559 176.752 176.117 0.126 0.000 1.036 554 I CA 0.657 62.041 61.300 0.140 0.000 1.336 554 I CB 0.987 39.044 38.000 0.096 0.000 1.407 554 I HN 0.625 nan 8.210 nan 0.000 0.497 555 S N 2.492 118.277 115.700 0.142 0.000 2.656 555 S HA 0.490 4.960 4.470 0.000 0.000 0.273 555 S C 0.076 174.781 174.600 0.174 0.000 1.168 555 S CA -0.276 58.004 58.200 0.133 0.000 0.817 555 S CB 1.387 64.654 63.200 0.112 0.000 1.146 555 S HN 0.474 nan 8.310 nan 0.000 0.475 556 S N -0.129 115.658 115.700 0.145 0.000 2.583 556 S HA 0.317 4.787 4.470 0.000 0.000 0.239 556 S C -0.341 174.440 174.600 0.300 0.000 0.966 556 S CA -0.311 57.977 58.200 0.147 0.000 0.973 556 S CB -0.965 62.268 63.200 0.054 0.000 0.794 556 S HN 0.854 nan 8.310 nan 0.000 0.463 557 D N 0.697 121.311 120.400 0.357 0.000 2.934 557 D HA 0.167 4.807 4.640 0.000 0.000 0.230 557 D C 0.081 176.331 176.300 -0.084 0.000 1.204 557 D CA -0.850 53.261 54.000 0.185 0.000 0.873 557 D CB 1.266 42.096 40.800 0.051 0.000 1.645 557 D HN 0.300 nan 8.370 nan 0.000 0.502 558 R N 0.669 120.891 120.500 -0.464 0.000 2.555 558 R HA 0.171 4.511 4.340 0.000 0.000 0.272 558 R C -0.020 176.082 176.300 -0.329 0.000 1.089 558 R CA -0.312 55.354 56.100 -0.724 0.000 1.126 558 R CB 0.069 29.762 30.300 -1.011 0.000 1.250 558 R HN 0.228 nan 8.270 nan 0.000 0.551 559 E N 0.877 120.960 120.200 -0.196 0.000 2.318 559 E HA 0.032 4.382 4.350 0.000 0.000 0.193 559 E C 0.501 177.029 176.600 -0.120 0.000 0.998 559 E CA 0.215 56.535 56.400 -0.134 0.000 0.859 559 E CB 0.241 29.884 29.700 -0.096 0.000 0.812 559 E HN 0.133 nan 8.360 nan 0.000 0.492 560 V N 3.540 123.384 119.914 -0.116 0.000 2.644 560 V HA -0.123 3.997 4.120 0.000 0.000 0.305 560 V C 1.089 177.126 176.094 -0.096 0.000 1.053 560 V CA 0.544 62.787 62.300 -0.096 0.000 1.186 560 V CB -0.064 31.718 31.823 -0.067 0.000 0.895 560 V HN 0.246 nan 8.190 nan 0.000 0.490 561 R N 3.606 124.054 120.500 -0.085 0.000 4.306 561 R HA 0.451 4.791 4.340 0.000 0.000 0.266 561 R C 0.680 176.940 176.300 -0.067 0.000 1.624 561 R CA 0.015 56.069 56.100 -0.076 0.000 1.487 561 R CB 0.054 30.314 30.300 -0.067 0.000 1.441 561 R HN 0.692 nan 8.270 nan 0.000 0.750 562 G N 0.432 109.191 108.800 -0.068 0.000 3.022 562 G HA2 -0.003 3.957 3.960 0.000 0.000 0.157 562 G HA3 -0.003 3.957 3.960 0.000 0.000 0.157 562 G C 0.426 175.288 174.900 -0.063 0.000 1.691 562 G CA -0.288 44.773 45.100 -0.065 0.000 1.079 562 G HN 0.313 nan 8.290 nan 0.000 0.549 563 S N -0.670 114.991 115.700 -0.066 0.000 2.539 563 S HA 0.612 5.082 4.470 0.000 0.000 0.226 563 S C 0.534 175.093 174.600 -0.068 0.000 1.054 563 S CA 0.488 58.653 58.200 -0.058 0.000 0.910 563 S CB 0.665 63.834 63.200 -0.051 0.000 0.818 563 S HN 0.998 nan 8.310 nan 0.000 0.490 564 A N 0.662 123.435 122.820 -0.078 0.000 2.602 564 A HA 0.786 5.107 4.320 0.000 0.000 0.290 564 A C -2.248 175.253 177.584 -0.138 0.000 1.114 564 A CA -0.565 51.391 52.037 -0.134 0.000 0.683 564 A CB 1.011 19.899 19.000 -0.187 0.000 1.281 564 A HN 0.181 nan 8.150 nan 0.000 0.416 565 L N 0.492 121.587 121.223 -0.214 0.000 2.356 565 L HA 0.776 5.116 4.340 0.000 0.000 0.277 565 L C -1.846 174.926 176.870 -0.163 0.000 0.996 565 L CA -0.242 54.516 54.840 -0.135 0.000 0.822 565 L CB 1.249 43.212 42.059 -0.160 0.000 1.256 565 L HN 0.635 nan 8.230 nan 0.000 0.413 566 Y N 2.663 123.052 120.300 0.148 0.000 2.468 566 Y HA 0.652 5.202 4.550 0.000 0.000 0.342 566 Y C -0.284 175.759 175.900 0.238 0.000 1.021 566 Y CA -0.630 57.566 58.100 0.161 0.000 1.079 566 Y CB 1.974 40.517 38.460 0.139 0.000 1.226 566 Y HN 0.597 nan 8.280 nan 0.000 0.460 567 E N 1.681 122.088 120.200 0.346 0.000 2.278 567 E HA 0.718 5.068 4.350 0.000 0.000 0.272 567 E C -1.418 175.202 176.600 0.034 0.000 0.890 567 E CA -0.818 55.673 56.400 0.152 0.000 0.770 567 E CB 1.293 31.094 29.700 0.167 0.000 1.212 567 E HN 0.786 nan 8.360 nan 0.000 0.415 568 A N 2.306 125.063 122.820 -0.104 0.000 2.386 568 A HA 0.220 4.540 4.320 0.000 0.000 0.246 568 A C 1.072 178.618 177.584 -0.063 0.000 1.089 568 A CA 0.400 52.364 52.037 -0.122 0.000 0.790 568 A CB 0.435 19.188 19.000 -0.412 0.000 1.042 568 A HN 0.812 nan 8.150 nan 0.000 0.497 569 S N -0.130 115.573 115.700 0.004 0.000 2.453 569 S HA -0.026 4.444 4.470 0.000 0.000 0.231 569 S C 1.085 175.727 174.600 0.071 0.000 1.005 569 S CA 1.035 59.253 58.200 0.029 0.000 0.949 569 S CB -0.654 62.559 63.200 0.022 0.000 0.774 569 S HN 0.942 nan 8.310 nan 0.000 0.510 570 T N 2.823 117.452 114.554 0.126 0.000 2.916 570 T HA 0.312 4.662 4.350 0.000 0.000 0.303 570 T C 0.850 175.592 174.700 0.071 0.000 1.025 570 T CA 0.644 62.864 62.100 0.201 0.000 1.142 570 T CB 0.642 69.697 68.868 0.312 0.000 0.947 570 T HN 0.483 nan 8.240 nan 0.000 0.544 571 T N 2.021 116.625 114.554 0.084 0.000 3.144 571 T HA 0.181 4.531 4.350 0.000 0.000 0.290 571 T C 1.188 175.872 174.700 -0.026 0.000 0.966 571 T CA -0.370 61.717 62.100 -0.022 0.000 0.907 571 T CB -0.461 68.365 68.868 -0.070 0.000 1.152 571 T HN 0.624 nan 8.240 nan 0.000 0.532 572 Y N 1.982 122.282 120.300 -0.001 0.000 2.165 572 Y HA 0.125 4.675 4.550 0.000 0.000 0.286 572 Y C 1.140 177.030 175.900 -0.017 0.000 1.155 572 Y CA 0.495 58.595 58.100 0.000 0.000 1.164 572 Y CB -0.536 37.932 38.460 0.015 0.000 0.978 572 Y HN 0.214 nan 8.280 nan 0.000 0.513 573 L N -0.812 120.488 121.223 0.128 0.000 2.473 573 L HA -0.064 4.276 4.340 0.000 0.000 0.265 573 L C 1.683 178.560 176.870 0.012 0.000 1.243 573 L CA 0.565 55.435 54.840 0.050 0.000 0.822 573 L CB -0.018 42.045 42.059 0.007 0.000 1.101 573 L HN -0.075 nan 8.230 nan 0.000 0.507 574 S N -1.023 114.679 115.700 0.005 0.000 2.351 574 S HA -0.119 4.352 4.470 0.000 0.000 0.220 574 S C 0.919 175.510 174.600 -0.016 0.000 1.035 574 S CA 1.516 59.714 58.200 -0.003 0.000 1.031 574 S CB -0.174 63.028 63.200 0.002 0.000 0.928 574 S HN 0.677 nan 8.310 nan 0.000 0.433 575 S N 0.249 115.934 115.700 -0.024 0.000 2.618 575 S HA 0.566 5.036 4.470 0.000 0.000 0.284 575 S C 0.218 174.755 174.600 -0.105 0.000 1.102 575 S CA -0.820 57.357 58.200 -0.039 0.000 0.984 575 S CB 1.106 64.299 63.200 -0.010 0.000 1.280 575 S HN 0.303 nan 8.310 nan 0.000 0.525 576 S N 0.527 116.112 115.700 -0.192 0.000 2.713 576 S HA 0.579 5.049 4.470 0.000 0.000 0.283 576 S C -1.042 173.258 174.600 -0.501 0.000 1.161 576 S CA -0.517 57.429 58.200 -0.424 0.000 0.999 576 S CB 0.825 63.572 63.200 -0.756 0.000 1.039 576 S HN 0.407 nan 8.310 nan 0.000 0.548 577 L N 2.597 123.480 121.223 -0.567 0.000 2.313 577 L HA 0.539 4.879 4.340 0.000 0.000 0.273 577 L C -1.667 174.956 176.870 -0.412 0.000 1.028 577 L CA -0.116 54.477 54.840 -0.411 0.000 0.871 577 L CB -0.580 41.241 42.059 -0.397 0.000 1.242 577 L HN 0.400 nan 8.230 nan 0.000 0.434 578 F N 4.433 124.371 119.950 -0.020 0.000 2.403 578 F HA 0.602 5.130 4.527 0.000 0.000 0.326 578 F C -0.089 175.748 175.800 0.062 0.000 1.081 578 F CA -0.683 57.332 58.000 0.026 0.000 1.041 578 F CB 1.292 40.307 39.000 0.024 0.000 1.234 578 F HN 0.135 nan 8.300 nan 0.000 0.503 579 L N 1.709 123.155 121.223 0.371 0.000 2.471 579 L HA 0.334 4.674 4.340 0.000 0.000 0.263 579 L C -0.798 176.288 176.870 0.360 0.000 0.985 579 L CA -0.129 54.912 54.840 0.335 0.000 0.868 579 L CB 1.451 43.697 42.059 0.313 0.000 1.203 579 L HN 0.459 nan 8.230 nan 0.000 0.429 580 S N 4.741 120.594 115.700 0.255 0.000 2.420 580 S HA 0.478 4.948 4.470 0.000 0.000 0.313 580 S C -2.481 172.167 174.600 0.081 0.000 1.079 580 S CA -1.044 57.239 58.200 0.139 0.000 1.104 580 S CB 1.049 64.275 63.200 0.045 0.000 0.969 580 S HN 0.284 nan 8.310 nan 0.000 0.471 581 P HA 0.320 nan 4.420 nan 0.000 0.301 581 P C -0.992 176.161 177.300 -0.244 0.000 1.338 581 P CA -0.593 62.282 63.100 -0.374 0.000 0.834 581 P CB 1.309 32.675 31.700 -0.558 0.000 0.967 582 V N 6.410 126.182 119.914 -0.237 0.000 2.320 582 V HA 0.190 4.310 4.120 0.000 0.000 0.265 582 V C 1.089 177.104 176.094 -0.132 0.000 1.048 582 V CA -0.671 61.548 62.300 -0.134 0.000 0.865 582 V CB 0.517 32.291 31.823 -0.081 0.000 1.043 582 V HN 0.562 nan 8.190 nan 0.000 0.474 583 I N 5.849 126.356 120.570 -0.104 0.000 2.588 583 I HA 0.133 4.303 4.170 0.000 0.000 0.283 583 I C 0.989 177.087 176.117 -0.031 0.000 1.119 583 I CA -0.094 61.165 61.300 -0.068 0.000 1.419 583 I CB 0.527 38.502 38.000 -0.041 0.000 1.394 583 I HN 0.776 nan 8.210 nan 0.000 0.562 584 M N 6.031 125.624 119.600 -0.011 0.000 2.576 584 M HA -0.329 4.151 4.480 0.000 0.000 0.200 584 M C 0.595 176.900 176.300 0.008 0.000 0.487 584 M CA 1.030 56.335 55.300 0.008 0.000 0.553 584 M CB -2.178 30.429 32.600 0.012 0.000 2.042 584 M HN 0.882 nan 8.290 nan 0.000 0.758 585 N N -0.718 117.981 118.700 -0.002 0.000 2.644 585 N HA -0.261 4.479 4.740 0.000 0.000 0.248 585 N C -0.369 175.146 175.510 0.009 0.000 1.150 585 N CA 1.508 54.562 53.050 0.006 0.000 0.727 585 N CB -0.642 37.861 38.487 0.028 0.000 1.091 585 N HN 0.813 nan 8.380 nan 0.000 0.556 586 K N -0.385 120.015 120.400 -0.001 0.000 2.426 586 K HA 0.601 4.921 4.320 0.000 0.000 0.254 586 K C -0.252 176.341 176.600 -0.013 0.000 0.936 586 K CA -0.989 55.299 56.287 0.001 0.000 0.801 586 K CB 1.289 33.792 32.500 0.007 0.000 1.139 586 K HN 0.143 nan 8.250 nan 0.000 0.424 587 c N 0.740 119.331 118.600 -0.015 0.000 2.364 587 c HA 0.742 5.312 4.570 0.000 0.000 0.356 587 c C 0.636 174.712 174.090 -0.024 0.000 1.201 587 c CA -0.822 55.491 56.329 -0.027 0.000 2.227 587 c CB 0.635 43.124 42.510 -0.035 0.000 2.387 587 c HN 0.913 nan 8.230 nan 0.000 0.546 588 S N 1.596 117.278 115.700 -0.030 0.000 2.672 588 S HA 0.445 4.915 4.470 0.000 0.000 0.276 588 S C -0.408 174.174 174.600 -0.031 0.000 1.207 588 S CA -0.610 57.574 58.200 -0.028 0.000 1.002 588 S CB 0.533 63.715 63.200 -0.030 0.000 0.998 588 S HN 0.930 nan 8.310 nan 0.000 0.542 589 Q N 0.663 120.447 119.800 -0.027 0.000 2.293 589 Q HA 0.508 4.848 4.340 0.000 0.000 0.263 589 Q C 0.525 176.503 176.000 -0.036 0.000 1.002 589 Q CA -0.309 55.476 55.803 -0.029 0.000 0.910 589 Q CB -0.125 28.600 28.738 -0.022 0.000 1.185 589 Q HN 1.448 nan 8.270 nan 0.000 0.401 590 G N 1.104 109.879 108.800 -0.042 0.000 2.705 590 G HA2 0.078 4.038 3.960 0.000 0.000 0.686 590 G HA3 0.078 4.038 3.960 0.000 0.000 0.686 590 G C -0.457 174.407 174.900 -0.061 0.000 1.285 590 G CA -0.545 44.526 45.100 -0.049 0.000 0.800 590 G HN 1.064 nan 8.290 nan 0.000 0.611 591 A N 0.754 123.530 122.820 -0.073 0.000 2.280 591 A HA 0.829 5.149 4.320 0.000 0.000 0.268 591 A C 1.212 178.742 177.584 -0.089 0.000 1.111 591 A CA 0.323 52.305 52.037 -0.092 0.000 0.814 591 A CB 0.368 19.299 19.000 -0.115 0.000 1.093 591 A HN 2.089 nan 8.150 nan 0.000 0.498 592 V N 0.053 119.904 119.914 -0.106 0.000 3.287 592 V HA 0.347 4.467 4.120 0.000 0.000 0.306 592 V C 1.341 177.381 176.094 -0.090 0.000 1.103 592 V CA 0.007 62.248 62.300 -0.099 0.000 1.159 592 V CB -0.060 31.691 31.823 -0.120 0.000 1.036 592 V HN 1.175 nan 8.190 nan 0.000 0.487 593 A N 1.956 124.732 122.820 -0.075 0.000 2.325 593 A HA 0.550 4.870 4.320 0.000 0.000 0.260 593 A C 1.014 178.560 177.584 -0.064 0.000 1.133 593 A CA 0.255 52.255 52.037 -0.061 0.000 0.801 593 A CB -0.582 18.388 19.000 -0.049 0.000 1.092 593 A HN 1.333 nan 8.150 nan 0.000 0.504 594 G N -1.714 107.057 108.800 -0.048 0.000 2.664 594 G HA2 0.424 4.384 3.960 0.000 0.000 0.242 594 G HA3 0.424 4.384 3.960 0.000 0.000 0.242 594 G C -0.060 174.820 174.900 -0.033 0.000 1.225 594 G CA 0.855 45.931 45.100 -0.040 0.000 0.849 594 G HN 1.347 nan 8.290 nan 0.000 0.581 595 E N -0.580 119.610 120.200 -0.018 0.000 6.993 595 E HA -0.126 4.224 4.350 0.000 0.000 0.276 595 E C -2.318 174.276 176.600 -0.009 0.000 1.113 595 E CA 0.152 56.552 56.400 -0.001 0.000 1.400 595 E CB -0.677 29.022 29.700 -0.002 0.000 0.936 595 E HN 0.397 nan 8.360 nan 0.000 0.285 596 P HA 0.192 nan 4.420 nan 0.000 0.274 596 P C -0.536 176.765 177.300 0.002 0.000 1.246 596 P CA -0.406 62.705 63.100 0.018 0.000 0.795 596 P CB 0.557 32.349 31.700 0.152 0.000 1.006 597 R N 1.662 122.117 120.500 -0.075 0.000 2.340 597 R HA 0.137 4.477 4.340 0.000 0.000 0.300 597 R C -0.063 176.291 176.300 0.091 0.000 1.069 597 R CA -0.200 55.853 56.100 -0.078 0.000 0.984 597 R CB 0.346 30.455 30.300 -0.319 0.000 1.003 597 R HN 0.501 nan 8.270 nan 0.000 0.459 598 Q N 3.881 123.757 119.800 0.127 0.000 2.293 598 Q HA 0.207 4.547 4.340 0.000 0.000 0.251 598 Q C -0.184 175.953 176.000 0.230 0.000 0.930 598 Q CA -0.326 55.575 55.803 0.163 0.000 0.893 598 Q CB 1.495 30.288 28.738 0.091 0.000 1.215 598 Q HN 0.537 nan 8.270 nan 0.000 0.425 599 I N 5.083 125.767 120.570 0.191 0.000 2.494 599 I HA 0.066 4.237 4.170 0.000 0.000 0.289 599 I C -1.668 174.478 176.117 0.049 0.000 1.106 599 I CA -1.560 59.797 61.300 0.094 0.000 1.369 599 I CB -0.067 37.940 38.000 0.011 0.000 1.410 599 I HN 0.342 nan 8.210 nan 0.000 0.523 600 P HA 0.143 nan 4.420 nan 0.000 0.275 600 P C -1.051 176.241 177.300 -0.013 0.000 1.227 600 P CA -0.413 62.699 63.100 0.021 0.000 0.781 600 P CB 0.767 32.486 31.700 0.032 0.000 0.906 601 K N 2.961 123.346 120.400 -0.026 0.000 2.172 601 K HA 0.567 4.887 4.320 0.000 0.000 0.276 601 K C 0.012 176.565 176.600 -0.079 0.000 1.013 601 K CA -0.617 55.642 56.287 -0.047 0.000 0.913 601 K CB 1.120 33.593 32.500 -0.045 0.000 1.055 601 K HN 0.460 nan 8.250 nan 0.000 0.461 602 I N 2.002 122.508 120.570 -0.107 0.000 2.545 602 I HA 0.149 4.319 4.170 0.000 0.000 0.292 602 I C 0.299 176.280 176.117 -0.226 0.000 1.040 602 I CA -0.487 60.705 61.300 -0.179 0.000 1.068 602 I CB 2.133 40.000 38.000 -0.221 0.000 1.251 602 I HN 0.615 nan 8.210 nan 0.000 0.424 603 Q N 2.579 122.228 119.800 -0.251 0.000 2.103 603 Q HA 0.202 4.542 4.340 0.000 0.000 0.219 603 Q C 0.963 176.821 176.000 -0.236 0.000 0.784 603 Q CA -0.240 55.411 55.803 -0.253 0.000 1.014 603 Q CB 0.767 29.381 28.738 -0.207 0.000 1.183 603 Q HN 0.583 nan 8.270 nan 0.000 0.469 604 N N 0.956 119.459 118.700 -0.329 0.000 2.022 604 N HA -0.078 4.662 4.740 0.000 0.000 0.194 604 N C 0.208 175.608 175.510 -0.184 0.000 1.057 604 N CA 1.042 53.904 53.050 -0.314 0.000 0.849 604 N CB -0.182 38.024 38.487 -0.470 0.000 1.044 604 N HN 0.075 nan 8.380 nan 0.000 0.424 605 F N 1.535 121.493 119.950 0.013 0.000 2.623 605 F HA -0.061 4.466 4.527 0.000 0.000 0.381 605 F C 1.447 177.248 175.800 0.002 0.000 1.081 605 F CA -0.206 57.822 58.000 0.047 0.000 1.293 605 F CB -0.635 38.474 39.000 0.182 0.000 1.006 605 F HN -0.030 nan 8.300 nan 0.000 0.578 606 T N 1.071 115.746 114.554 0.202 0.000 2.943 606 T HA 0.480 4.830 4.350 0.000 0.000 0.284 606 T C 1.187 175.941 174.700 0.090 0.000 1.015 606 T CA -1.061 61.097 62.100 0.096 0.000 1.042 606 T CB 1.725 70.627 68.868 0.057 0.000 1.055 606 T HN 0.544 nan 8.240 nan 0.000 0.500 607 R N 0.859 121.397 120.500 0.064 0.000 2.109 607 R HA -0.029 4.311 4.340 0.000 0.000 0.227 607 R C 0.738 177.063 176.300 0.042 0.000 1.132 607 R CA 1.215 57.353 56.100 0.064 0.000 0.907 607 R CB -1.364 28.973 30.300 0.061 0.000 0.825 607 R HN 0.668 nan 8.270 nan 0.000 0.432 608 T N 2.735 117.305 114.554 0.025 0.000 2.871 608 T HA 0.021 4.371 4.350 0.000 0.000 0.296 608 T C 0.119 174.808 174.700 -0.018 0.000 0.998 608 T CA 0.385 62.488 62.100 0.004 0.000 1.162 608 T CB 0.618 69.487 68.868 0.001 0.000 0.947 608 T HN 0.091 nan 8.240 nan 0.000 0.536 609 Q N 2.064 121.837 119.800 -0.045 0.000 2.323 609 Q HA 0.317 4.657 4.340 0.000 0.000 0.271 609 Q C 0.675 176.621 176.000 -0.090 0.000 1.048 609 Q CA -0.668 55.081 55.803 -0.090 0.000 0.792 609 Q CB 2.529 31.170 28.738 -0.162 0.000 1.280 609 Q HN 0.653 nan 8.270 nan 0.000 0.441 610 K N 1.104 121.452 120.400 -0.087 0.000 1.975 610 K HA -0.007 4.314 4.320 0.000 0.000 0.210 610 K C 0.821 177.362 176.600 -0.099 0.000 1.041 610 K CA 1.206 57.446 56.287 -0.077 0.000 0.942 610 K CB 0.118 32.580 32.500 -0.063 0.000 0.729 610 K HN 0.698 nan 8.250 nan 0.000 0.439 611 S N -0.588 115.040 115.700 -0.120 0.000 2.694 611 S HA 0.115 4.585 4.470 0.000 0.000 0.278 611 S C 0.061 174.544 174.600 -0.196 0.000 1.152 611 S CA -0.995 57.122 58.200 -0.138 0.000 1.010 611 S CB 1.339 64.464 63.200 -0.125 0.000 1.104 611 S HN 0.384 nan 8.310 nan 0.000 0.547 612 C N 1.984 121.161 119.300 -0.204 0.000 2.262 612 C HA 0.445 4.905 4.460 0.000 0.000 0.413 612 C C 1.621 176.400 174.990 -0.351 0.000 1.019 612 C CA -0.866 57.997 59.018 -0.258 0.000 1.320 612 C CB -2.902 24.711 27.740 -0.213 0.000 1.657 612 C HN 0.757 nan 8.230 nan 0.000 0.510 613 I N 2.750 123.020 120.570 -0.499 0.000 2.094 613 I HA -0.066 4.104 4.170 0.000 0.000 0.234 613 I C 0.756 176.505 176.117 -0.612 0.000 1.063 613 I CA 1.503 62.431 61.300 -0.620 0.000 1.328 613 I CB -0.450 36.933 38.000 -1.028 0.000 1.058 613 I HN 0.417 nan 8.210 nan 0.000 0.400 614 F N 0.829 120.598 119.950 -0.302 0.000 2.659 614 F HA 0.169 4.696 4.527 0.000 0.000 0.360 614 F C 1.163 176.708 175.800 -0.426 0.000 1.218 614 F CA -0.744 57.078 58.000 -0.297 0.000 1.317 614 F CB -1.099 37.921 39.000 0.033 0.000 1.697 614 F HN 0.108 nan 8.300 nan 0.000 0.637 615 C N 0.695 119.654 119.300 -0.568 0.000 3.400 615 C HA 0.173 4.633 4.460 0.000 0.000 0.290 615 C C 2.837 177.620 174.990 -0.346 0.000 1.318 615 C CA 1.249 60.028 59.018 -0.398 0.000 1.725 615 C CB -0.800 26.730 27.740 -0.350 0.000 2.171 615 C HN 0.823 nan 8.230 nan 0.000 0.521 616 G N 0.152 108.763 108.800 -0.315 0.000 2.990 616 G HA2 0.125 4.085 3.960 0.000 0.000 0.206 616 G HA3 0.125 4.085 3.960 0.000 0.000 0.206 616 G C 0.299 175.469 174.900 0.450 0.000 1.169 616 G CA 0.241 45.377 45.100 0.060 0.000 0.819 616 G HN 0.299 nan 8.290 nan 0.000 0.517 617 F N 0.194 120.256 119.950 0.186 0.000 2.403 617 F HA 0.797 5.325 4.527 0.000 0.000 0.326 617 F C 0.510 176.472 175.800 0.270 0.000 1.099 617 F CA -2.327 55.812 58.000 0.230 0.000 1.036 617 F CB 1.027 40.133 39.000 0.178 0.000 1.336 617 F HN 0.058 nan 8.300 nan 0.000 0.497 618 A N 0.544 123.614 122.820 0.417 0.000 2.515 618 A HA 0.758 5.078 4.320 0.000 0.000 0.298 618 A C -1.579 176.093 177.584 0.146 0.000 1.059 618 A CA -0.638 51.584 52.037 0.308 0.000 0.698 618 A CB 1.384 20.562 19.000 0.297 0.000 1.289 618 A HN 0.650 nan 8.150 nan 0.000 0.404 619 L N 1.312 122.625 121.223 0.150 0.000 2.325 619 L HA 0.673 5.013 4.340 0.000 0.000 0.278 619 L C -1.141 175.817 176.870 0.146 0.000 1.023 619 L CA -0.884 54.045 54.840 0.149 0.000 0.811 619 L CB 1.762 43.946 42.059 0.208 0.000 1.249 619 L HN 0.631 nan 8.230 nan 0.000 0.431 620 L N 3.019 124.317 121.223 0.125 0.000 2.446 620 L HA 0.410 4.750 4.340 0.000 0.000 0.268 620 L C -0.319 176.604 176.870 0.089 0.000 0.975 620 L CA -0.052 54.845 54.840 0.096 0.000 0.848 620 L CB 1.848 43.934 42.059 0.045 0.000 1.225 620 L HN 0.610 nan 8.230 nan 0.000 0.410 621 S N 3.663 119.364 115.700 0.002 0.000 2.475 621 S HA 0.797 5.267 4.470 0.000 0.000 0.298 621 S C -0.773 173.748 174.600 -0.133 0.000 1.119 621 S CA -0.518 57.539 58.200 -0.238 0.000 1.085 621 S CB 1.209 64.094 63.200 -0.525 0.000 1.028 621 S HN 0.555 nan 8.310 nan 0.000 0.489 622 Y N -0.581 119.599 120.300 -0.201 0.000 2.512 622 Y HA 0.744 5.294 4.550 0.000 0.000 0.348 622 Y C -0.857 174.946 175.900 -0.162 0.000 0.990 622 Y CA -1.369 56.650 58.100 -0.136 0.000 1.033 622 Y CB 0.810 39.234 38.460 -0.059 0.000 1.259 622 Y HN 0.627 nan 8.280 nan 0.000 0.461 623 D N 1.928 122.317 120.400 -0.019 0.000 2.210 623 D HA 0.169 4.809 4.640 0.000 0.000 0.249 623 D C 0.770 177.093 176.300 0.039 0.000 1.062 623 D CA -0.179 53.749 54.000 -0.119 0.000 0.891 623 D CB 1.462 42.175 40.800 -0.146 0.000 1.186 623 D HN 0.822 nan 8.370 nan 0.000 0.432 624 E N 1.780 121.946 120.200 -0.057 0.000 2.058 624 E HA -0.218 4.132 4.350 0.000 0.000 0.194 624 E C 1.263 177.779 176.600 -0.140 0.000 0.997 624 E CA 1.356 57.764 56.400 0.014 0.000 0.801 624 E CB 0.281 29.923 29.700 -0.097 0.000 0.746 624 E HN 0.427 nan 8.360 nan 0.000 0.450 625 K N 0.206 120.396 120.400 -0.349 0.000 2.005 625 K HA -0.036 4.284 4.320 0.000 0.000 0.206 625 K C 1.030 177.574 176.600 -0.092 0.000 1.044 625 K CA 0.728 56.837 56.287 -0.297 0.000 0.942 625 K CB 0.003 32.260 32.500 -0.405 0.000 0.727 625 K HN -0.045 nan 8.250 nan 0.000 0.439 626 E N -0.367 119.771 120.200 -0.105 0.000 2.622 626 E HA 0.154 4.504 4.350 0.000 0.000 0.255 626 E C 0.639 177.234 176.600 -0.008 0.000 1.313 626 E CA 0.002 56.371 56.400 -0.052 0.000 1.011 626 E CB 0.311 29.967 29.700 -0.074 0.000 1.173 626 E HN 0.246 nan 8.360 nan 0.000 0.601 627 G N -0.331 108.466 108.800 -0.005 0.000 2.711 627 G HA2 0.164 4.124 3.960 0.000 0.000 0.186 627 G HA3 0.164 4.124 3.960 0.000 0.000 0.186 627 G C -0.466 174.453 174.900 0.032 0.000 1.635 627 G CA -0.504 44.602 45.100 0.010 0.000 1.065 627 G HN 0.310 nan 8.290 nan 0.000 0.545 628 L N 0.735 121.973 121.223 0.025 0.000 2.305 628 L HA 0.272 4.612 4.340 0.000 0.000 0.281 628 L C 1.191 178.061 176.870 -0.000 0.000 1.085 628 L CA -0.676 54.188 54.840 0.041 0.000 0.813 628 L CB 1.385 43.463 42.059 0.032 0.000 1.157 628 L HN 0.475 nan 8.230 nan 0.000 0.436 629 E N 1.833 122.019 120.200 -0.024 0.000 2.025 629 E HA 0.046 4.396 4.350 0.000 0.000 0.198 629 E C 0.545 177.113 176.600 -0.054 0.000 0.955 629 E CA 0.934 57.291 56.400 -0.073 0.000 0.862 629 E CB 0.120 29.733 29.700 -0.145 0.000 0.837 629 E HN 0.725 nan 8.360 nan 0.000 0.488 630 T N -1.683 112.841 114.554 -0.050 0.000 2.907 630 T HA 0.528 4.878 4.350 0.000 0.000 0.292 630 T C -0.320 174.419 174.700 0.065 0.000 1.043 630 T CA -0.762 61.343 62.100 0.009 0.000 1.003 630 T CB 2.278 71.167 68.868 0.036 0.000 1.084 630 T HN 0.032 nan 8.240 nan 0.000 0.483 631 T N 1.053 115.657 114.554 0.083 0.000 2.893 631 T HA 0.705 5.055 4.350 0.000 0.000 0.291 631 T C -1.128 173.655 174.700 0.137 0.000 1.028 631 T CA -0.327 61.837 62.100 0.105 0.000 0.995 631 T CB 1.491 70.393 68.868 0.058 0.000 1.051 631 T HN 0.892 nan 8.240 nan 0.000 0.470 632 T N 3.668 118.323 114.554 0.168 0.000 2.916 632 T HA 0.397 4.747 4.350 0.000 0.000 0.298 632 T C -1.793 173.076 174.700 0.282 0.000 1.031 632 T CA -0.470 61.747 62.100 0.195 0.000 0.993 632 T CB 1.088 69.980 68.868 0.039 0.000 1.045 632 T HN 0.604 nan 8.240 nan 0.000 0.454 633 Y N 3.508 123.951 120.300 0.238 0.000 2.402 633 Y HA 0.531 5.081 4.550 0.000 0.000 0.332 633 Y C -0.117 175.905 175.900 0.203 0.000 0.960 633 Y CA -1.188 57.048 58.100 0.227 0.000 1.228 633 Y CB 0.381 38.983 38.460 0.236 0.000 1.120 633 Y HN 0.596 nan 8.280 nan 0.000 0.491 634 I N 7.379 127.840 120.570 -0.182 0.000 2.455 634 I HA -0.061 4.109 4.170 0.000 0.000 0.303 634 I C 1.451 177.264 176.117 -0.506 0.000 1.180 634 I CA 0.282 61.412 61.300 -0.284 0.000 1.469 634 I CB 0.131 38.048 38.000 -0.138 0.000 1.480 634 I HN 0.793 nan 8.210 nan 0.000 0.669 635 T N 1.629 115.891 114.554 -0.486 0.000 2.622 635 T HA -0.127 4.223 4.350 0.000 0.000 0.266 635 T C 0.931 175.464 174.700 -0.279 0.000 1.047 635 T CA 1.303 63.166 62.100 -0.395 0.000 1.159 635 T CB -0.128 68.608 68.868 -0.221 0.000 0.863 635 T HN 0.621 nan 8.240 nan 0.000 0.422 636 S N -0.674 114.882 115.700 -0.240 0.000 2.806 636 S HA 0.539 5.009 4.470 0.000 0.000 0.306 636 S C 0.732 175.230 174.600 -0.171 0.000 1.167 636 S CA -0.442 57.651 58.200 -0.178 0.000 0.847 636 S CB 1.836 64.959 63.200 -0.128 0.000 1.216 636 S HN 0.214 nan 8.310 nan 0.000 0.532 637 Q N 1.497 121.213 119.800 -0.141 0.000 2.029 637 Q HA -0.238 4.102 4.340 0.000 0.000 0.209 637 Q C 1.935 177.863 176.000 -0.120 0.000 0.999 637 Q CA 2.968 58.694 55.803 -0.129 0.000 0.857 637 Q CB -0.912 27.762 28.738 -0.108 0.000 0.926 637 Q HN 0.906 nan 8.270 nan 0.000 0.415 638 E N -1.055 119.077 120.200 -0.112 0.000 2.114 638 E HA -0.241 4.109 4.350 0.000 0.000 0.199 638 E C 1.826 178.350 176.600 -0.126 0.000 1.008 638 E CA 1.944 58.280 56.400 -0.107 0.000 0.810 638 E CB -0.611 29.028 29.700 -0.101 0.000 0.739 638 E HN 0.289 nan 8.360 nan 0.000 0.456 639 V N 1.363 121.176 119.914 -0.167 0.000 2.307 639 V HA -0.300 3.820 4.120 0.000 0.000 0.245 639 V C 2.758 178.761 176.094 -0.150 0.000 1.045 639 V CA 2.222 64.401 62.300 -0.202 0.000 1.024 639 V CB -0.938 30.702 31.823 -0.304 0.000 0.651 639 V HN 0.338 nan 8.190 nan 0.000 0.449 640 Q N 0.287 120.012 119.800 -0.125 0.000 2.135 640 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 640 Q C 2.147 178.128 176.000 -0.031 0.000 0.981 640 Q CA 1.987 57.753 55.803 -0.061 0.000 0.856 640 Q CB -0.135 28.558 28.738 -0.075 0.000 0.902 640 Q HN 0.692 nan 8.270 nan 0.000 0.425 641 N N 0.263 118.930 118.700 -0.056 0.000 2.142 641 N HA -0.109 4.631 4.740 0.000 0.000 0.186 641 N C 1.648 177.145 175.510 -0.022 0.000 1.023 641 N CA 1.519 54.549 53.050 -0.034 0.000 0.852 641 N CB -0.209 38.249 38.487 -0.048 0.000 0.998 641 N HN 0.303 nan 8.380 nan 0.000 0.424 642 S N -0.021 115.649 115.700 -0.051 0.000 2.803 642 S HA 0.142 4.612 4.470 0.000 0.000 0.226 642 S C 1.501 176.078 174.600 -0.039 0.000 0.962 642 S CA 0.191 58.364 58.200 -0.046 0.000 0.968 642 S CB -0.401 62.754 63.200 -0.075 0.000 0.786 642 S HN 0.257 nan 8.310 nan 0.000 0.527 643 I N -0.882 119.676 120.570 -0.021 0.000 4.228 643 I HA 0.181 4.351 4.170 0.000 0.000 0.298 643 I C 1.608 177.821 176.117 0.162 0.000 1.206 643 I CA 0.127 61.411 61.300 -0.025 0.000 1.322 643 I CB 0.079 37.981 38.000 -0.164 0.000 1.411 643 I HN 0.204 nan 8.210 nan 0.000 0.454 644 L N 0.859 122.194 121.223 0.186 0.000 2.313 644 L HA -0.029 4.311 4.340 0.000 0.000 0.214 644 L C 2.586 179.548 176.870 0.152 0.000 1.119 644 L CA 1.194 56.179 54.840 0.242 0.000 0.809 644 L CB -0.490 41.675 42.059 0.177 0.000 0.933 644 L HN 0.311 nan 8.230 nan 0.000 0.449 645 S N -0.822 114.934 115.700 0.095 0.000 2.371 645 S HA -0.018 4.452 4.470 0.000 0.000 0.221 645 S C 1.374 176.013 174.600 0.065 0.000 1.036 645 S CA 0.235 58.472 58.200 0.061 0.000 0.965 645 S CB -0.490 62.728 63.200 0.030 0.000 0.845 645 S HN 0.436 nan 8.310 nan 0.000 0.475 646 S N 2.356 118.097 115.700 0.069 0.000 2.634 646 S HA 0.254 4.724 4.470 0.000 0.000 0.254 646 S C 0.293 174.942 174.600 0.081 0.000 1.299 646 S CA -0.606 57.633 58.200 0.064 0.000 0.974 646 S CB -0.201 63.037 63.200 0.064 0.000 1.001 646 S HN 0.424 nan 8.310 nan 0.000 0.584 647 N N 0.325 119.055 118.700 0.050 0.000 2.466 647 N HA 0.092 4.832 4.740 0.000 0.000 0.251 647 N C 0.217 175.715 175.510 -0.020 0.000 1.164 647 N CA -0.012 53.044 53.050 0.010 0.000 0.888 647 N CB -0.370 38.105 38.487 -0.020 0.000 1.177 647 N HN 0.702 nan 8.380 nan 0.000 0.498 648 Y N 0.564 120.789 120.300 -0.125 0.000 2.256 648 Y HA -0.064 4.486 4.550 0.000 0.000 0.288 648 Y C -0.022 175.595 175.900 -0.471 0.000 1.155 648 Y CA 1.166 59.106 58.100 -0.267 0.000 1.203 648 Y CB -0.017 38.234 38.460 -0.349 0.000 0.980 648 Y HN -0.092 nan 8.280 nan 0.000 0.530 649 F N 0.425 120.143 119.950 -0.386 0.000 2.399 649 F HA 0.353 4.880 4.527 0.000 0.000 0.328 649 F C -0.102 175.206 175.800 -0.820 0.000 1.084 649 F CA -0.737 56.675 58.000 -0.981 0.000 1.053 649 F CB 1.129 39.462 39.000 -1.111 0.000 1.209 649 F HN -0.181 nan 8.300 nan 0.000 0.502 650 D N 1.557 121.551 120.400 -0.678 0.000 2.934 650 D HA 0.156 4.796 4.640 0.000 0.000 0.249 650 D C -0.061 176.136 176.300 -0.172 0.000 1.293 650 D CA -0.233 53.562 54.000 -0.341 0.000 0.812 650 D CB -0.292 40.442 40.800 -0.109 0.000 1.439 650 D HN 0.174 nan 8.370 nan 0.000 0.555 651 F N 0.105 120.092 119.950 0.062 0.000 2.451 651 F HA 0.076 4.603 4.527 0.000 0.000 0.299 651 F C 1.681 177.501 175.800 0.035 0.000 1.101 651 F CA 0.304 58.348 58.000 0.072 0.000 1.436 651 F CB -0.138 38.873 39.000 0.018 0.000 1.074 651 F HN 0.203 nan 8.300 nan 0.000 0.553 652 D N 0.724 121.193 120.400 0.115 0.000 2.663 652 D HA -0.025 4.615 4.640 0.000 0.000 0.243 652 D C 0.047 176.350 176.300 0.005 0.000 1.218 652 D CA 0.378 54.411 54.000 0.055 0.000 0.846 652 D CB -0.505 40.311 40.800 0.027 0.000 1.014 652 D HN 0.168 nan 8.370 nan 0.000 0.476 653 N N 1.446 120.149 118.700 0.005 0.000 2.594 653 N HA 0.006 4.746 4.740 0.000 0.000 0.280 653 N C 0.835 176.274 175.510 -0.118 0.000 1.156 653 N CA -0.434 52.577 53.050 -0.065 0.000 0.831 653 N CB 1.023 39.477 38.487 -0.056 0.000 1.379 653 N HN -0.141 nan 8.380 nan 0.000 0.536 654 L N 2.364 123.474 121.223 -0.189 0.000 2.191 654 L HA -0.112 4.228 4.340 0.000 0.000 0.212 654 L C 1.736 178.401 176.870 -0.341 0.000 1.103 654 L CA 1.303 56.011 54.840 -0.219 0.000 0.769 654 L CB -0.884 41.044 42.059 -0.219 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.835 118.074 119.070 -0.267 0.000 2.389 655 H HA 0.074 4.630 4.556 0.000 0.000 0.299 655 H C 0.567 175.584 175.328 -0.519 0.000 1.081 655 H CA 0.341 56.182 56.048 -0.345 0.000 1.345 655 H CB -0.016 29.589 29.762 -0.261 0.000 1.393 655 H HN 0.043 nan 8.280 nan 0.000 0.520 656 V N 2.408 122.081 119.914 -0.401 0.000 2.481 656 V HA 0.180 4.300 4.120 0.000 0.000 0.286 656 V C 0.130 175.769 176.094 -0.759 0.000 1.042 656 V CA -0.586 61.369 62.300 -0.576 0.000 0.928 656 V CB 1.909 33.464 31.823 -0.448 0.000 0.986 656 V HN 0.338 nan 8.190 nan 0.000 0.462 657 H N 2.671 121.306 119.070 -0.725 0.000 2.797 657 H HA 0.555 5.111 4.556 0.000 0.000 0.372 657 H C -1.560 173.348 175.328 -0.700 0.000 1.168 657 H CA -0.611 55.083 56.048 -0.590 0.000 1.163 657 H CB 1.932 31.222 29.762 -0.786 0.000 1.778 657 H HN 0.570 nan 8.280 nan 0.000 0.551 658 Y N 1.259 121.611 120.300 0.086 0.000 2.326 658 Y HA 0.280 4.830 4.550 0.000 0.000 0.329 658 Y C -0.469 175.524 175.900 0.154 0.000 0.973 658 Y CA -0.737 57.452 58.100 0.149 0.000 1.162 658 Y CB 1.255 39.950 38.460 0.391 0.000 1.147 658 Y HN 0.240 nan 8.280 nan 0.000 0.456 659 L N 3.884 125.239 121.223 0.221 0.000 2.334 659 L HA 0.580 4.920 4.340 0.000 0.000 0.270 659 L C -1.045 175.861 176.870 0.061 0.000 1.018 659 L CA -0.883 54.027 54.840 0.117 0.000 0.811 659 L CB 1.638 43.742 42.059 0.074 0.000 1.271 659 L HN 0.526 nan 8.230 nan 0.000 0.443 660 L N 2.943 124.136 121.223 -0.050 0.000 2.372 660 L HA 0.547 4.887 4.340 0.000 0.000 0.274 660 L C -1.388 175.334 176.870 -0.246 0.000 0.988 660 L CA -0.150 54.622 54.840 -0.113 0.000 0.833 660 L CB 1.198 43.174 42.059 -0.140 0.000 1.236 660 L HN 0.356 nan 8.230 nan 0.000 0.410 661 L N 4.824 125.860 121.223 -0.312 0.000 2.272 661 L HA 0.573 4.913 4.340 0.000 0.000 0.289 661 L C 0.675 177.381 176.870 -0.273 0.000 1.032 661 L CA -0.510 53.987 54.840 -0.571 0.000 0.810 661 L CB 1.384 42.748 42.059 -1.158 0.000 1.205 661 L HN 0.717 nan 8.230 nan 0.000 0.422 662 T N -2.462 111.913 114.554 -0.298 0.000 2.884 662 T HA 0.179 4.529 4.350 0.000 0.000 0.277 662 T C 1.336 176.053 174.700 0.028 0.000 0.976 662 T CA 0.004 61.679 62.100 -0.708 0.000 0.956 662 T CB 1.291 69.535 68.868 -1.040 0.000 1.113 662 T HN 0.685 nan 8.240 nan 0.000 0.554 663 T N -0.896 113.759 114.554 0.168 0.000 2.929 663 T HA -0.020 4.331 4.350 0.000 0.000 0.271 663 T C 0.664 175.475 174.700 0.186 0.000 1.085 663 T CA 0.329 62.625 62.100 0.326 0.000 1.125 663 T CB -0.663 68.451 68.868 0.411 0.000 0.874 663 T HN 0.605 nan 8.240 nan 0.000 0.494 664 N N 1.308 120.083 118.700 0.125 0.000 2.492 664 N HA 0.410 5.150 4.740 0.000 0.000 0.289 664 N C 0.941 176.537 175.510 0.143 0.000 1.133 664 N CA -0.279 52.833 53.050 0.103 0.000 0.961 664 N CB 0.981 39.523 38.487 0.091 0.000 1.186 664 N HN 0.283 nan 8.380 nan 0.000 0.493 665 G N -0.152 108.702 108.800 0.091 0.000 3.229 665 G HA2 -0.065 3.895 3.960 0.000 0.000 0.214 665 G HA3 -0.065 3.895 3.960 0.000 0.000 0.214 665 G C 0.428 175.552 174.900 0.372 0.000 1.256 665 G CA 0.216 45.387 45.100 0.118 0.000 1.042 665 G HN 0.642 nan 8.290 nan 0.000 0.497 666 T N -2.468 112.277 114.554 0.318 0.000 2.907 666 T HA 0.655 5.005 4.350 0.000 0.000 0.284 666 T C -0.519 174.203 174.700 0.036 0.000 1.004 666 T CA -0.784 61.471 62.100 0.260 0.000 1.063 666 T CB 2.563 71.514 68.868 0.138 0.000 0.992 666 T HN -0.048 nan 8.240 nan 0.000 0.483 667 V N 4.127 123.845 119.914 -0.328 0.000 2.876 667 V HA 0.764 4.884 4.120 0.000 0.000 0.312 667 V C -0.182 175.689 176.094 -0.372 0.000 1.085 667 V CA -1.050 60.929 62.300 -0.534 0.000 0.945 667 V CB 1.765 33.009 31.823 -0.965 0.000 1.017 667 V HN 1.160 nan 8.190 nan 0.000 0.428 668 M N 1.197 120.667 119.600 -0.217 0.000 2.465 668 M HA 0.684 5.164 4.480 0.000 0.000 0.284 668 M C -1.073 175.205 176.300 -0.037 0.000 1.212 668 M CA -0.613 54.629 55.300 -0.096 0.000 0.910 668 M CB 2.451 35.036 32.600 -0.025 0.000 1.725 668 M HN 0.613 nan 8.290 nan 0.000 0.477 669 E N 1.878 122.074 120.200 -0.007 0.000 2.283 669 E HA 0.705 5.055 4.350 0.000 0.000 0.271 669 E C -1.607 175.021 176.600 0.048 0.000 1.031 669 E CA -0.654 55.774 56.400 0.047 0.000 0.868 669 E CB 1.543 31.256 29.700 0.022 0.000 1.094 669 E HN 0.693 nan 8.360 nan 0.000 0.401 670 I N 1.830 122.474 120.570 0.124 0.000 2.603 670 I HA 0.541 4.711 4.170 0.000 0.000 0.300 670 I C -0.324 175.715 176.117 -0.129 0.000 1.017 670 I CA -0.654 60.657 61.300 0.019 0.000 1.098 670 I CB 2.009 40.056 38.000 0.079 0.000 1.279 670 I HN 0.638 nan 8.210 nan 0.000 0.437 671 A N 3.905 126.374 122.820 -0.585 0.000 3.189 671 A HA 0.637 4.958 4.320 0.000 0.000 0.213 671 A C -0.328 176.564 177.584 -1.155 0.000 1.205 671 A CA -0.040 51.309 52.037 -1.147 0.000 1.238 671 A CB -0.102 18.653 19.000 -0.409 0.000 1.268 671 A HN 0.902 nan 8.150 nan 0.000 0.785 672 G N 0.000 108.065 108.800 -1.224 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 44.763 45.100 -0.562 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925