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 1vom_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP DERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNQXXXXGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDE DEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CSERAAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKVEQ EEYLKEKINW DATA SEQUENCE TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPX VPRDXXXXQK ATXXXXXXXN IDPEQYRFGI TKIFFR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.505 175.510 -0.008 0.000 1.280 2 N CA 0.000 53.071 53.050 0.034 0.000 0.885 2 N CB 0.000 38.593 38.487 0.177 0.000 1.341 3 P HA -0.060 nan 4.420 nan 0.000 0.217 3 P C 1.636 178.841 177.300 -0.159 0.000 1.148 3 P CA 0.885 63.944 63.100 -0.069 0.000 0.828 3 P CB 0.526 32.175 31.700 -0.085 0.000 0.783 4 I N -1.668 118.627 120.570 -0.459 0.000 2.361 4 I HA -0.236 3.934 4.170 -0.001 0.000 0.251 4 I C 1.881 177.765 176.117 -0.389 0.000 1.133 4 I CA 1.595 62.446 61.300 -0.748 0.000 1.413 4 I CB -0.588 36.877 38.000 -0.892 0.000 1.073 4 I HN 0.119 nan 8.210 nan 0.000 0.424 5 H N -1.330 117.755 119.070 0.025 0.000 2.595 5 H HA 0.039 4.595 4.556 -0.001 0.000 0.265 5 H C 0.429 175.744 175.328 -0.022 0.000 0.953 5 H CA -0.112 55.964 56.048 0.047 0.000 1.197 5 H CB 0.164 29.922 29.762 -0.005 0.000 1.438 5 H HN 0.085 nan 8.280 nan 0.000 0.531 6 D N 1.021 121.461 120.400 0.067 0.000 2.393 6 D HA 0.015 4.655 4.640 -0.001 0.000 0.232 6 D C 0.714 176.893 176.300 -0.201 0.000 1.192 6 D CA -0.244 53.736 54.000 -0.033 0.000 0.882 6 D CB 0.454 41.262 40.800 0.013 0.000 1.038 6 D HN 0.190 nan 8.370 nan 0.000 0.499 7 R N 1.759 122.006 120.500 -0.422 0.000 2.355 7 R HA -0.086 4.253 4.340 -0.001 0.000 0.219 7 R C 1.472 177.644 176.300 -0.214 0.000 1.107 7 R CA 1.337 57.070 56.100 -0.612 0.000 1.021 7 R CB -0.406 29.635 30.300 -0.431 0.000 0.852 7 R HN 0.494 nan 8.270 nan 0.000 0.475 8 T N -2.286 112.207 114.554 -0.102 0.000 3.060 8 T HA 0.030 4.380 4.350 -0.001 0.000 0.249 8 T C 0.935 175.644 174.700 0.015 0.000 1.079 8 T CA -0.097 61.981 62.100 -0.037 0.000 1.013 8 T CB 0.126 68.977 68.868 -0.029 0.000 0.975 8 T HN 0.148 nan 8.240 nan 0.000 0.518 9 S N 1.240 116.982 115.700 0.071 0.000 2.593 9 S HA 0.174 4.644 4.470 -0.001 0.000 0.269 9 S C 0.571 175.248 174.600 0.128 0.000 1.334 9 S CA -0.552 57.722 58.200 0.124 0.000 1.015 9 S CB 0.743 64.049 63.200 0.176 0.000 0.912 9 S HN 0.154 nan 8.310 nan 0.000 0.541 10 D N 0.141 120.631 120.400 0.150 0.000 2.178 10 D HA -0.096 4.543 4.640 -0.001 0.000 0.202 10 D C 1.436 177.858 176.300 0.203 0.000 0.974 10 D CA 1.298 55.404 54.000 0.176 0.000 0.841 10 D CB -0.418 40.580 40.800 0.329 0.000 0.953 10 D HN 0.782 nan 8.370 nan 0.000 0.478 11 Y N 1.284 121.646 120.300 0.103 0.000 2.097 11 Y HA -0.280 4.270 4.550 -0.000 0.000 0.282 11 Y C 2.465 178.355 175.900 -0.018 0.000 1.152 11 Y CA 1.862 59.997 58.100 0.058 0.000 1.136 11 Y CB -0.349 38.106 38.460 -0.008 0.000 0.975 11 Y HN 0.099 nan 8.280 nan 0.000 0.498 12 H N 0.366 119.521 119.070 0.141 0.000 2.357 12 H HA -0.152 4.403 4.556 -0.001 0.000 0.301 12 H C 2.322 177.551 175.328 -0.165 0.000 1.082 12 H CA 1.936 57.979 56.048 -0.009 0.000 1.342 12 H CB -0.042 29.754 29.762 0.055 0.000 1.389 12 H HN 0.380 nan 8.280 nan 0.000 0.511 13 K N 0.232 120.571 120.400 -0.102 0.000 2.026 13 K HA -0.182 4.138 4.320 -0.001 0.000 0.208 13 K C 1.488 177.760 176.600 -0.547 0.000 1.048 13 K CA 1.637 57.692 56.287 -0.386 0.000 0.929 13 K CB -0.020 32.135 32.500 -0.575 0.000 0.713 13 K HN 0.209 nan 8.250 nan 0.000 0.439 14 Y N -0.274 119.978 120.300 -0.079 0.000 2.510 14 Y HA 0.156 4.705 4.550 -0.001 0.000 0.273 14 Y C 1.464 177.253 175.900 -0.185 0.000 1.119 14 Y CA 0.284 58.312 58.100 -0.119 0.000 1.286 14 Y CB 0.455 38.858 38.460 -0.094 0.000 1.061 14 Y HN -0.020 nan 8.280 nan 0.000 0.542 15 L N -0.870 120.238 121.223 -0.191 0.000 2.817 15 L HA 0.219 4.559 4.340 -0.001 0.000 0.248 15 L C 0.017 176.683 176.870 -0.340 0.000 1.133 15 L CA 0.090 54.762 54.840 -0.281 0.000 0.935 15 L CB 0.389 42.173 42.059 -0.457 0.000 1.266 15 L HN -0.216 nan 8.230 nan 0.000 0.535 16 K N 0.623 120.817 120.400 -0.344 0.000 2.267 16 K HA 0.471 4.790 4.320 -0.001 0.000 0.246 16 K C -0.561 175.961 176.600 -0.131 0.000 0.954 16 K CA -0.816 55.307 56.287 -0.275 0.000 0.824 16 K CB 3.026 35.267 32.500 -0.432 0.000 1.167 16 K HN -0.345 nan 8.250 nan 0.000 0.431 17 V N 2.472 122.341 119.914 -0.075 0.000 2.585 17 V HA -0.020 4.099 4.120 -0.001 0.000 0.296 17 V C 0.903 176.994 176.094 -0.006 0.000 1.035 17 V CA -0.050 62.228 62.300 -0.036 0.000 1.084 17 V CB 0.433 32.245 31.823 -0.017 0.000 0.953 17 V HN 0.609 nan 8.190 nan 0.000 0.483 18 K N 4.351 124.743 120.400 -0.013 0.000 2.436 18 K HA 0.059 4.379 4.320 -0.001 0.000 0.275 18 K C 0.210 176.821 176.600 0.018 0.000 0.999 18 K CA -0.457 55.831 56.287 0.001 0.000 0.980 18 K CB 0.511 33.001 32.500 -0.017 0.000 0.919 18 K HN 0.689 nan 8.250 nan 0.000 0.484 19 Q N 2.284 122.100 119.800 0.026 0.000 2.263 19 Q HA 0.077 4.416 4.340 -0.001 0.000 0.289 19 Q C -0.288 175.728 176.000 0.025 0.000 1.061 19 Q CA 0.685 56.505 55.803 0.029 0.000 0.927 19 Q CB 0.629 29.377 28.738 0.018 0.000 1.154 19 Q HN 0.677 nan 8.270 nan 0.000 0.378 20 G N 3.574 112.397 108.800 0.037 0.000 2.537 20 G HA2 0.325 4.284 3.960 -0.001 0.000 0.273 20 G HA3 0.325 4.284 3.960 -0.001 0.000 0.273 20 G C -0.658 174.272 174.900 0.050 0.000 1.189 20 G CA -0.237 44.888 45.100 0.042 0.000 0.881 20 G HN 0.885 nan 8.290 nan 0.000 0.535 21 D N -1.042 119.387 120.400 0.049 0.000 2.451 21 D HA 0.447 5.087 4.640 -0.001 0.000 0.259 21 D C 1.792 178.143 176.300 0.084 0.000 1.201 21 D CA 0.222 54.251 54.000 0.048 0.000 1.028 21 D CB 0.305 41.123 40.800 0.030 0.000 1.095 21 D HN 0.419 nan 8.370 nan 0.000 0.539 22 S N 0.061 115.796 115.700 0.058 0.000 2.368 22 S HA -0.253 4.216 4.470 -0.001 0.000 0.226 22 S C 1.537 176.218 174.600 0.135 0.000 1.044 22 S CA 2.016 60.258 58.200 0.070 0.000 1.062 22 S CB -0.817 62.398 63.200 0.025 0.000 0.931 22 S HN 0.610 nan 8.310 nan 0.000 0.440 23 D N 0.540 120.993 120.400 0.088 0.000 2.097 23 D HA -0.073 4.567 4.640 -0.001 0.000 0.195 23 D C 1.956 178.304 176.300 0.080 0.000 0.989 23 D CA 1.141 55.187 54.000 0.077 0.000 0.827 23 D CB -0.450 40.377 40.800 0.046 0.000 0.966 23 D HN 0.385 nan 8.370 nan 0.000 0.456 24 L N 0.542 121.811 121.223 0.076 0.000 2.042 24 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 24 L C 2.202 179.115 176.870 0.071 0.000 1.076 24 L CA 1.301 56.174 54.840 0.056 0.000 0.749 24 L CB -0.896 41.194 42.059 0.051 0.000 0.893 24 L HN -0.039 nan 8.230 nan 0.000 0.432 25 F N 0.307 120.254 119.950 -0.006 0.000 2.120 25 F HA -0.313 4.213 4.527 -0.000 0.000 0.300 25 F C 2.406 178.204 175.800 -0.004 0.000 1.095 25 F CA 2.147 60.143 58.000 -0.007 0.000 1.249 25 F CB -0.188 38.808 39.000 -0.007 0.000 0.995 25 F HN 0.028 nan 8.300 nan 0.000 0.480 26 K N 0.257 120.739 120.400 0.138 0.000 2.057 26 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 26 K C 2.019 178.575 176.600 -0.074 0.000 1.049 26 K CA 1.665 57.972 56.287 0.033 0.000 0.931 26 K CB -0.340 32.211 32.500 0.086 0.000 0.714 26 K HN 0.342 nan 8.250 nan 0.000 0.440 27 L N 0.038 121.231 121.223 -0.050 0.000 2.217 27 L HA -0.129 4.210 4.340 -0.001 0.000 0.211 27 L C 1.955 178.762 176.870 -0.105 0.000 1.107 27 L CA 1.027 55.832 54.840 -0.059 0.000 0.783 27 L CB -0.335 41.696 42.059 -0.047 0.000 0.919 27 L HN 0.206 nan 8.230 nan 0.000 0.442 28 T N -0.719 113.733 114.554 -0.170 0.000 2.915 28 T HA -0.098 4.252 4.350 -0.001 0.000 0.269 28 T C 1.629 176.163 174.700 -0.277 0.000 1.071 28 T CA 1.441 63.414 62.100 -0.211 0.000 1.132 28 T CB -0.075 68.652 68.868 -0.235 0.000 0.878 28 T HN 0.349 nan 8.240 nan 0.000 0.479 29 V N -0.803 118.888 119.914 -0.371 0.000 3.647 29 V HA 0.328 4.448 4.120 -0.001 0.000 0.279 29 V C 1.023 177.027 176.094 -0.151 0.000 1.314 29 V CA -0.581 61.527 62.300 -0.320 0.000 1.125 29 V CB -0.460 31.092 31.823 -0.452 0.000 0.907 29 V HN 0.267 nan 8.190 nan 0.000 0.434 30 S N 2.596 118.237 115.700 -0.098 0.000 2.569 30 S HA -0.016 4.454 4.470 -0.001 0.000 0.274 30 S C 1.013 175.605 174.600 -0.014 0.000 1.353 30 S CA 0.642 58.825 58.200 -0.028 0.000 1.023 30 S CB 0.650 63.864 63.200 0.024 0.000 0.876 30 S HN 0.839 nan 8.310 nan 0.000 0.540 31 D N 1.952 122.347 120.400 -0.008 0.000 2.369 31 D HA 0.128 4.767 4.640 -0.001 0.000 0.211 31 D C 0.053 176.334 176.300 -0.033 0.000 1.077 31 D CA -0.039 53.952 54.000 -0.015 0.000 0.842 31 D CB -0.076 40.713 40.800 -0.017 0.000 0.947 31 D HN 0.389 nan 8.370 nan 0.000 0.509 32 K N 0.433 120.820 120.400 -0.022 0.000 2.258 32 K HA 0.362 4.681 4.320 -0.001 0.000 0.264 32 K C 0.152 176.628 176.600 -0.207 0.000 1.007 32 K CA -0.082 56.121 56.287 -0.139 0.000 0.941 32 K CB 1.011 33.457 32.500 -0.089 0.000 0.966 32 K HN -0.037 nan 8.250 nan 0.000 0.480 33 R N 1.540 121.745 120.500 -0.490 0.000 2.686 33 R HA 0.386 4.725 4.340 -0.001 0.000 0.286 33 R C -1.236 174.555 176.300 -0.848 0.000 0.969 33 R CA -0.725 55.115 56.100 -0.432 0.000 0.898 33 R CB 1.193 31.317 30.300 -0.293 0.000 1.183 33 R HN 0.465 nan 8.270 nan 0.000 0.456 34 Y N 1.283 121.411 120.300 -0.286 0.000 2.602 34 Y HA 0.597 5.147 4.550 -0.001 0.000 0.342 34 Y C -0.127 175.463 175.900 -0.517 0.000 1.029 34 Y CA -1.027 56.843 58.100 -0.383 0.000 1.080 34 Y CB 1.859 40.069 38.460 -0.417 0.000 1.284 34 Y HN 0.330 nan 8.280 nan 0.000 0.485 35 I N 0.235 120.566 120.570 -0.397 0.000 2.828 35 I HA 0.393 4.562 4.170 -0.001 0.000 0.302 35 I C -1.816 174.050 176.117 -0.417 0.000 1.101 35 I CA -1.216 59.793 61.300 -0.484 0.000 1.031 35 I CB 1.945 39.587 38.000 -0.596 0.000 1.231 35 I HN 0.747 nan 8.210 nan 0.000 0.427 36 W N 6.733 127.947 121.300 -0.143 0.000 2.361 36 W HA 0.439 5.098 4.660 -0.001 0.000 0.309 36 W C -0.817 175.771 176.519 0.114 0.000 1.122 36 W CA -0.404 56.904 57.345 -0.062 0.000 1.208 36 W CB 1.116 30.433 29.460 -0.237 0.000 1.246 36 W HN 0.387 nan 8.180 nan 0.000 0.490 37 Y N 0.208 120.737 120.300 0.382 0.000 2.609 37 Y HA 0.538 5.087 4.550 -0.001 0.000 0.342 37 Y C -1.216 174.860 175.900 0.294 0.000 1.058 37 Y CA -2.218 56.056 58.100 0.290 0.000 1.055 37 Y CB 0.992 39.482 38.460 0.049 0.000 1.292 37 Y HN 0.393 nan 8.280 nan 0.000 0.476 38 N N 3.547 122.305 118.700 0.097 0.000 2.485 38 N HA 0.313 5.053 4.740 -0.001 0.000 0.243 38 N C -2.358 173.222 175.510 0.117 0.000 0.987 38 N CA -1.644 51.339 53.050 -0.113 0.000 0.940 38 N CB 1.415 39.810 38.487 -0.153 0.000 1.122 38 N HN 0.474 nan 8.380 nan 0.000 0.509 39 P HA -0.153 nan 4.420 nan 0.000 0.218 39 P C -0.279 177.096 177.300 0.124 0.000 1.148 39 P CA 1.478 64.697 63.100 0.198 0.000 0.822 39 P CB 0.270 32.016 31.700 0.077 0.000 0.784 40 D N -1.772 118.646 120.400 0.030 0.000 2.505 40 D HA 0.168 4.808 4.640 -0.001 0.000 0.250 40 D C -2.118 174.171 176.300 -0.018 0.000 1.164 40 D CA -2.488 51.518 54.000 0.011 0.000 0.870 40 D CB 1.389 42.183 40.800 -0.010 0.000 1.160 40 D HN -0.106 nan 8.370 nan 0.000 0.549 41 P HA -0.007 nan 4.420 nan 0.000 0.234 41 P C 0.799 178.086 177.300 -0.022 0.000 1.167 41 P CA 0.434 63.536 63.100 0.002 0.000 0.763 41 P CB 0.514 32.235 31.700 0.035 0.000 0.835 42 D N -0.231 120.153 120.400 -0.027 0.000 2.183 42 D HA -0.030 4.610 4.640 -0.001 0.000 0.205 42 D C 0.700 176.966 176.300 -0.056 0.000 0.962 42 D CA 0.613 54.594 54.000 -0.032 0.000 0.849 42 D CB -0.168 40.617 40.800 -0.024 0.000 0.978 42 D HN 0.397 nan 8.370 nan 0.000 0.488 43 E N 0.565 120.719 120.200 -0.077 0.000 2.069 43 E HA 0.266 4.615 4.350 -0.001 0.000 0.254 43 E C 0.731 177.216 176.600 -0.192 0.000 1.088 43 E CA -0.209 56.123 56.400 -0.114 0.000 1.017 43 E CB 0.663 30.302 29.700 -0.102 0.000 1.226 43 E HN 0.304 nan 8.360 nan 0.000 0.458 44 R N 0.836 121.229 120.500 -0.179 0.000 2.328 44 R HA -0.063 4.277 4.340 -0.001 0.000 0.207 44 R C 0.348 176.413 176.300 -0.392 0.000 1.056 44 R CA 0.702 56.657 56.100 -0.243 0.000 1.016 44 R CB 0.227 30.464 30.300 -0.106 0.000 0.872 44 R HN 0.295 nan 8.270 nan 0.000 0.471 45 D N -0.625 119.592 120.400 -0.306 0.000 2.379 45 D HA 0.061 4.701 4.640 -0.001 0.000 0.208 45 D C -0.225 175.921 176.300 -0.256 0.000 1.065 45 D CA 0.470 54.336 54.000 -0.224 0.000 0.848 45 D CB 0.655 41.369 40.800 -0.144 0.000 0.949 45 D HN -0.141 nan 8.370 nan 0.000 0.509 46 S N 0.606 116.084 115.700 -0.370 0.000 2.461 46 S HA 0.357 4.826 4.470 -0.001 0.000 0.322 46 S C -0.763 173.617 174.600 -0.367 0.000 1.063 46 S CA -0.466 57.601 58.200 -0.222 0.000 1.120 46 S CB 0.298 63.414 63.200 -0.139 0.000 0.968 46 S HN 0.018 nan 8.310 nan 0.000 0.467 47 Y N 1.437 121.689 120.300 -0.080 0.000 2.528 47 Y HA 0.597 5.147 4.550 -0.000 0.000 0.335 47 Y C 0.777 176.615 175.900 -0.103 0.000 1.093 47 Y CA -0.881 57.152 58.100 -0.111 0.000 1.134 47 Y CB 1.089 39.510 38.460 -0.065 0.000 1.253 47 Y HN 0.398 nan 8.280 nan 0.000 0.478 48 E N 0.041 120.186 120.200 -0.091 0.000 2.378 48 E HA 0.337 4.687 4.350 -0.001 0.000 0.265 48 E C -1.390 175.305 176.600 0.158 0.000 0.932 48 E CA -0.784 55.568 56.400 -0.080 0.000 0.795 48 E CB 2.569 32.071 29.700 -0.330 0.000 1.296 48 E HN 0.623 nan 8.360 nan 0.000 0.438 49 C N 0.742 120.162 119.300 0.200 0.000 2.319 49 C HA 0.850 5.310 4.460 -0.001 0.000 0.335 49 C C 0.252 175.401 174.990 0.265 0.000 1.274 49 C CA 0.021 59.023 59.018 -0.026 0.000 1.806 49 C CB -0.557 26.966 27.740 -0.362 0.000 2.329 49 C HN 0.647 nan 8.230 nan 0.000 0.524 50 G N 4.029 112.962 108.800 0.223 0.000 2.591 50 G HA2 0.488 4.447 3.960 -0.001 0.000 0.306 50 G HA3 0.488 4.447 3.960 -0.001 0.000 0.306 50 G C -1.461 173.510 174.900 0.118 0.000 1.334 50 G CA -0.216 45.026 45.100 0.237 0.000 0.981 50 G HN 0.869 nan 8.290 nan 0.000 0.491 51 E N 1.635 121.892 120.200 0.094 0.000 2.259 51 E HA 0.210 4.560 4.350 -0.001 0.000 0.281 51 E C -0.025 176.468 176.600 -0.178 0.000 1.037 51 E CA -0.421 55.838 56.400 -0.235 0.000 0.854 51 E CB 0.795 30.361 29.700 -0.223 0.000 1.051 51 E HN 0.308 nan 8.360 nan 0.000 0.409 52 I N 5.824 126.189 120.570 -0.342 0.000 2.436 52 I HA -0.057 4.113 4.170 -0.001 0.000 0.289 52 I C 1.368 177.391 176.117 -0.157 0.000 1.083 52 I CA -0.151 61.022 61.300 -0.211 0.000 1.372 52 I CB 0.794 38.546 38.000 -0.413 0.000 1.408 52 I HN 0.514 nan 8.210 nan 0.000 0.516 53 V N 2.246 122.128 119.914 -0.054 0.000 3.085 53 V HA 0.196 4.316 4.120 -0.001 0.000 0.245 53 V C 0.715 176.801 176.094 -0.013 0.000 1.114 53 V CA 0.612 62.884 62.300 -0.047 0.000 1.108 53 V CB -0.071 31.725 31.823 -0.045 0.000 0.798 53 V HN 0.725 nan 8.190 nan 0.000 0.471 54 S N 0.277 115.995 115.700 0.030 0.000 2.638 54 S HA 0.784 5.253 4.470 -0.001 0.000 0.274 54 S C -0.956 173.720 174.600 0.127 0.000 1.157 54 S CA -0.241 57.989 58.200 0.050 0.000 0.826 54 S CB 2.502 65.715 63.200 0.022 0.000 1.139 54 S HN 0.886 nan 8.310 nan 0.000 0.474 55 E N -0.570 119.691 120.200 0.102 0.000 2.392 55 E HA 0.659 5.009 4.350 -0.001 0.000 0.279 55 E C -1.040 175.569 176.600 0.015 0.000 0.964 55 E CA -0.973 55.493 56.400 0.109 0.000 0.777 55 E CB 1.722 31.558 29.700 0.227 0.000 1.249 55 E HN 0.849 nan 8.360 nan 0.000 0.449 56 T N -1.378 113.147 114.554 -0.048 0.000 2.807 56 T HA 0.354 4.704 4.350 -0.001 0.000 0.277 56 T C 1.138 175.781 174.700 -0.096 0.000 1.006 56 T CA -0.054 62.011 62.100 -0.057 0.000 1.006 56 T CB 1.022 69.858 68.868 -0.053 0.000 1.274 56 T HN 0.581 nan 8.240 nan 0.000 0.569 57 S N 0.240 115.894 115.700 -0.076 0.000 2.419 57 S HA -0.112 4.357 4.470 -0.001 0.000 0.233 57 S C 1.120 175.643 174.600 -0.130 0.000 1.016 57 S CA 1.434 59.583 58.200 -0.086 0.000 0.974 57 S CB -0.683 62.483 63.200 -0.057 0.000 0.786 57 S HN 0.941 nan 8.310 nan 0.000 0.492 58 D N -0.497 119.820 120.400 -0.138 0.000 2.500 58 D HA 0.320 4.959 4.640 -0.001 0.000 0.217 58 D C 0.048 176.217 176.300 -0.219 0.000 1.159 58 D CA -0.239 53.664 54.000 -0.161 0.000 0.828 58 D CB 0.197 40.940 40.800 -0.096 0.000 1.039 58 D HN 0.267 nan 8.370 nan 0.000 0.512 59 S N -0.883 114.665 115.700 -0.253 0.000 2.651 59 S HA 0.695 5.164 4.470 -0.001 0.000 0.279 59 S C -1.574 172.842 174.600 -0.306 0.000 1.148 59 S CA -0.682 57.374 58.200 -0.241 0.000 0.837 59 S CB 1.336 64.487 63.200 -0.081 0.000 1.138 59 S HN 0.036 nan 8.310 nan 0.000 0.478 60 F N 1.013 120.989 119.950 0.043 0.000 2.540 60 F HA 0.566 5.093 4.527 -0.001 0.000 0.317 60 F C 0.416 176.273 175.800 0.094 0.000 1.104 60 F CA -0.568 57.468 58.000 0.061 0.000 0.913 60 F CB 2.093 41.140 39.000 0.079 0.000 1.170 60 F HN 0.318 nan 8.300 nan 0.000 0.450 61 T N 4.591 119.309 114.554 0.274 0.000 2.807 61 T HA 0.698 5.048 4.350 -0.001 0.000 0.279 61 T C -1.094 173.676 174.700 0.118 0.000 0.993 61 T CA -0.351 61.805 62.100 0.092 0.000 0.970 61 T CB 0.676 69.545 68.868 0.001 0.000 0.950 61 T HN 0.371 nan 8.240 nan 0.000 0.441 62 F N -0.884 119.025 119.950 -0.069 0.000 2.613 62 F HA 0.897 5.424 4.527 0.000 0.000 0.314 62 F C -0.304 175.401 175.800 -0.159 0.000 1.075 62 F CA -1.631 56.289 58.000 -0.132 0.000 0.945 62 F CB 0.507 39.406 39.000 -0.168 0.000 1.310 62 F HN 0.507 nan 8.300 nan 0.000 0.467 63 K N 0.329 120.746 120.400 0.028 0.000 2.118 63 K HA 0.725 5.045 4.320 -0.001 0.000 0.267 63 K C -0.058 176.536 176.600 -0.011 0.000 0.991 63 K CA -0.182 56.072 56.287 -0.056 0.000 0.916 63 K CB 0.376 32.877 32.500 0.001 0.000 1.041 63 K HN 1.052 nan 8.250 nan 0.000 0.455 64 T N -2.907 111.587 114.554 -0.100 0.000 2.897 64 T HA 0.553 4.903 4.350 -0.001 0.000 0.278 64 T C 1.807 176.592 174.700 0.141 0.000 0.981 64 T CA -0.073 61.998 62.100 -0.048 0.000 0.973 64 T CB 0.829 69.642 68.868 -0.092 0.000 1.092 64 T HN 1.074 nan 8.240 nan 0.000 0.543 65 V N 1.535 121.633 119.914 0.306 0.000 2.215 65 V HA -0.262 3.858 4.120 -0.001 0.000 0.249 65 V C 2.485 178.660 176.094 0.134 0.000 1.054 65 V CA 2.970 65.407 62.300 0.228 0.000 1.012 65 V CB -1.479 30.486 31.823 0.236 0.000 0.639 65 V HN 1.092 nan 8.190 nan 0.000 0.448 66 D N -0.321 120.152 120.400 0.121 0.000 2.239 66 D HA 0.008 4.648 4.640 -0.001 0.000 0.202 66 D C 1.581 177.911 176.300 0.050 0.000 0.993 66 D CA 2.178 56.223 54.000 0.075 0.000 0.874 66 D CB -0.188 40.651 40.800 0.066 0.000 0.922 66 D HN 1.458 nan 8.370 nan 0.000 0.464 67 G N 0.771 109.598 108.800 0.045 0.000 2.316 67 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.203 67 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.203 67 G C 0.332 175.220 174.900 -0.020 0.000 0.999 67 G CA 0.450 45.561 45.100 0.018 0.000 0.649 67 G HN 0.693 nan 8.290 nan 0.000 0.489 68 Q N 1.195 120.976 119.800 -0.032 0.000 2.730 68 Q HA 0.395 4.735 4.340 -0.001 0.000 0.255 68 Q C -0.771 175.142 176.000 -0.145 0.000 1.155 68 Q CA 1.067 56.826 55.803 -0.073 0.000 1.035 68 Q CB 0.308 29.009 28.738 -0.062 0.000 1.335 68 Q HN 0.255 nan 8.270 nan 0.000 0.556 69 D N 0.314 120.604 120.400 -0.184 0.000 2.481 69 D HA 0.519 5.158 4.640 -0.001 0.000 0.244 69 D C -0.937 175.127 176.300 -0.393 0.000 1.057 69 D CA -0.417 53.414 54.000 -0.281 0.000 0.848 69 D CB 1.330 42.017 40.800 -0.189 0.000 1.388 69 D HN 0.467 nan 8.370 nan 0.000 0.475 70 R N 1.030 121.104 120.500 -0.710 0.000 2.795 70 R HA 0.535 4.875 4.340 -0.001 0.000 0.275 70 R C -0.859 175.030 176.300 -0.684 0.000 0.981 70 R CA -0.919 54.717 56.100 -0.774 0.000 0.917 70 R CB 2.453 32.117 30.300 -1.060 0.000 1.202 70 R HN 0.346 nan 8.270 nan 0.000 0.469 71 Q N 1.293 120.910 119.800 -0.304 0.000 2.365 71 Q HA 0.652 4.992 4.340 -0.001 0.000 0.269 71 Q C -1.774 174.271 176.000 0.075 0.000 1.061 71 Q CA -0.751 55.008 55.803 -0.073 0.000 0.816 71 Q CB 2.515 31.219 28.738 -0.056 0.000 1.325 71 Q HN 0.382 nan 8.270 nan 0.000 0.446 72 V N 2.792 122.813 119.914 0.178 0.000 3.048 72 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 72 V C -1.518 174.638 176.094 0.103 0.000 1.214 72 V CA -0.833 61.583 62.300 0.194 0.000 0.984 72 V CB 2.407 34.431 31.823 0.335 0.000 1.054 72 V HN 0.751 nan 8.190 nan 0.000 0.430 73 K N 3.143 123.577 120.400 0.057 0.000 2.382 73 K HA 0.298 4.618 4.320 -0.001 0.000 0.275 73 K C 1.077 177.654 176.600 -0.038 0.000 1.009 73 K CA 0.372 56.651 56.287 -0.013 0.000 0.970 73 K CB 0.578 33.074 32.500 -0.006 0.000 0.934 73 K HN 0.614 nan 8.250 nan 0.000 0.479 74 K N 1.354 121.647 120.400 -0.179 0.000 2.211 74 K HA -0.166 4.154 4.320 -0.001 0.000 0.204 74 K C 0.655 177.224 176.600 -0.052 0.000 1.047 74 K CA 1.447 57.581 56.287 -0.255 0.000 0.935 74 K CB 0.134 32.385 32.500 -0.415 0.000 0.728 74 K HN 0.540 nan 8.250 nan 0.000 0.452 75 D N 1.051 121.428 120.400 -0.038 0.000 2.178 75 D HA -0.115 4.525 4.640 -0.001 0.000 0.202 75 D C 0.764 177.084 176.300 0.034 0.000 0.974 75 D CA 1.141 55.141 54.000 0.000 0.000 0.841 75 D CB -0.031 40.763 40.800 -0.009 0.000 0.953 75 D HN 0.194 nan 8.370 nan 0.000 0.478 76 D N 0.016 120.447 120.400 0.052 0.000 2.388 76 D HA 0.208 4.847 4.640 -0.001 0.000 0.221 76 D C 0.183 176.547 176.300 0.107 0.000 1.133 76 D CA -0.055 53.992 54.000 0.077 0.000 0.831 76 D CB 0.201 41.051 40.800 0.084 0.000 0.962 76 D HN -0.002 nan 8.370 nan 0.000 0.502 77 A N 0.957 123.845 122.820 0.114 0.000 2.328 77 A HA 0.309 4.628 4.320 -0.001 0.000 0.284 77 A C 0.322 177.948 177.584 0.069 0.000 1.160 77 A CA -0.497 51.621 52.037 0.135 0.000 0.818 77 A CB 0.379 19.545 19.000 0.277 0.000 1.087 77 A HN -0.064 nan 8.150 nan 0.000 0.504 78 N N 3.079 121.813 118.700 0.057 0.000 2.949 78 N HA 0.102 4.842 4.740 -0.001 0.000 0.243 78 N C -0.557 174.932 175.510 -0.035 0.000 1.113 78 N CA 0.041 53.118 53.050 0.045 0.000 0.980 78 N CB 0.890 39.441 38.487 0.107 0.000 1.256 78 N HN 0.703 nan 8.380 nan 0.000 0.508 79 Q N 0.777 120.439 119.800 -0.230 0.000 2.361 79 Q HA 0.039 4.379 4.340 -0.001 0.000 0.276 79 Q C 0.514 176.356 176.000 -0.263 0.000 1.022 79 Q CA 0.335 55.843 55.803 -0.491 0.000 0.898 79 Q CB 1.594 29.631 28.738 -1.168 0.000 1.246 79 Q HN 0.341 nan 8.270 nan 0.000 0.410 80 R N 2.950 123.264 120.500 -0.311 0.000 2.340 80 R HA 0.093 4.433 4.340 -0.001 0.000 0.300 80 R C -0.259 176.165 176.300 0.205 0.000 1.069 80 R CA -0.405 55.555 56.100 -0.233 0.000 0.984 80 R CB 0.594 30.384 30.300 -0.851 0.000 1.003 80 R HN 0.577 nan 8.270 nan 0.000 0.459 81 N N 4.192 123.115 118.700 0.372 0.000 2.415 81 N HA 0.136 4.875 4.740 -0.001 0.000 0.248 81 N C -2.343 173.352 175.510 0.309 0.000 1.271 81 N CA -1.028 52.246 53.050 0.374 0.000 0.913 81 N CB 0.632 39.248 38.487 0.214 0.000 1.129 81 N HN 0.490 nan 8.380 nan 0.000 0.444 82 P HA 0.028 nan 4.420 nan 0.000 0.264 82 P C 1.192 178.623 177.300 0.219 0.000 1.193 82 P CA 0.018 63.260 63.100 0.236 0.000 0.763 82 P CB 0.220 32.032 31.700 0.187 0.000 0.810 83 I N 2.544 123.169 120.570 0.092 0.000 2.479 83 I HA -0.339 3.831 4.170 -0.001 0.000 0.258 83 I C 1.435 177.569 176.117 0.028 0.000 1.165 83 I CA 1.589 62.929 61.300 0.067 0.000 1.422 83 I CB -0.773 37.233 38.000 0.010 0.000 1.087 83 I HN 0.259 nan 8.210 nan 0.000 0.441 84 K N 0.280 120.633 120.400 -0.077 0.000 2.442 84 K HA -0.054 4.266 4.320 -0.001 0.000 0.198 84 K C 1.382 177.867 176.600 -0.192 0.000 1.042 84 K CA 1.301 57.485 56.287 -0.172 0.000 0.958 84 K CB -0.571 31.744 32.500 -0.308 0.000 0.766 84 K HN 0.321 nan 8.250 nan 0.000 0.474 85 F N 2.160 122.124 119.950 0.024 0.000 2.615 85 F HA 0.069 4.595 4.527 -0.001 0.000 0.297 85 F C 0.004 175.829 175.800 0.042 0.000 1.124 85 F CA -0.252 57.766 58.000 0.031 0.000 1.451 85 F CB -0.158 38.864 39.000 0.038 0.000 1.103 85 F HN -0.074 nan 8.300 nan 0.000 0.569 86 D N 0.596 121.129 120.400 0.222 0.000 2.451 86 D HA 0.296 4.936 4.640 -0.001 0.000 0.254 86 D C 1.400 177.731 176.300 0.052 0.000 1.204 86 D CA 1.261 55.342 54.000 0.135 0.000 0.896 86 D CB 0.217 41.109 40.800 0.153 0.000 1.136 86 D HN 0.401 nan 8.370 nan 0.000 0.499 87 G N 1.464 110.269 108.800 0.008 0.000 2.141 87 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.231 87 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.231 87 G C 0.459 175.373 174.900 0.024 0.000 0.984 87 G CA 0.013 45.105 45.100 -0.013 0.000 0.660 87 G HN 0.621 nan 8.290 nan 0.000 0.525 88 V N 0.646 120.607 119.914 0.078 0.000 2.814 88 V HA 0.164 4.284 4.120 -0.001 0.000 0.307 88 V C 1.703 177.843 176.094 0.077 0.000 1.089 88 V CA 1.646 64.012 62.300 0.109 0.000 1.212 88 V CB 0.855 32.804 31.823 0.210 0.000 0.912 88 V HN 0.542 nan 8.190 nan 0.000 0.497 89 E N 2.804 123.059 120.200 0.091 0.000 2.152 89 E HA -0.058 4.292 4.350 -0.001 0.000 0.192 89 E C 0.124 176.826 176.600 0.170 0.000 0.983 89 E CA 0.847 57.313 56.400 0.110 0.000 0.818 89 E CB 0.188 29.972 29.700 0.140 0.000 0.758 89 E HN 0.719 nan 8.360 nan 0.000 0.467 90 D N -0.445 120.049 120.400 0.157 0.000 2.462 90 D HA 0.152 4.791 4.640 -0.001 0.000 0.245 90 D C 0.398 176.738 176.300 0.067 0.000 1.122 90 D CA -0.219 53.862 54.000 0.137 0.000 0.864 90 D CB 1.005 41.865 40.800 0.100 0.000 1.098 90 D HN -0.067 nan 8.370 nan 0.000 0.541 91 M N 1.374 120.991 119.600 0.028 0.000 2.632 91 M HA -0.092 4.388 4.480 -0.001 0.000 0.256 91 M C 1.777 178.059 176.300 -0.029 0.000 1.080 91 M CA 0.464 55.761 55.300 -0.005 0.000 1.084 91 M CB -0.108 32.485 32.600 -0.012 0.000 1.439 91 M HN 0.291 nan 8.290 nan 0.000 0.509 92 S N 0.050 115.736 115.700 -0.024 0.000 2.555 92 S HA -0.044 4.426 4.470 -0.001 0.000 0.230 92 S C 1.393 175.972 174.600 -0.035 0.000 0.978 92 S CA 0.515 58.697 58.200 -0.029 0.000 0.934 92 S CB -0.319 62.864 63.200 -0.029 0.000 0.766 92 S HN 0.531 nan 8.310 nan 0.000 0.533 93 E N 1.130 121.321 120.200 -0.014 0.000 2.371 93 E HA 0.151 4.501 4.350 -0.001 0.000 0.194 93 E C 0.249 176.736 176.600 -0.189 0.000 1.012 93 E CA -0.086 56.322 56.400 0.013 0.000 0.860 93 E CB -0.246 29.553 29.700 0.164 0.000 0.811 93 E HN 0.590 nan 8.360 nan 0.000 0.502 94 L N 1.525 122.537 121.223 -0.351 0.000 2.573 94 L HA -0.088 4.251 4.340 -0.001 0.000 0.290 94 L C 1.497 177.957 176.870 -0.683 0.000 1.247 94 L CA -0.144 54.249 54.840 -0.745 0.000 0.876 94 L CB 0.241 42.069 42.059 -0.386 0.000 1.123 94 L HN -0.028 nan 8.230 nan 0.000 0.505 95 S N 0.643 115.770 115.700 -0.956 0.000 2.406 95 S HA 0.009 4.479 4.470 -0.001 0.000 0.224 95 S C -0.044 174.259 174.600 -0.496 0.000 1.030 95 S CA 0.784 58.595 58.200 -0.648 0.000 0.958 95 S CB 0.001 62.751 63.200 -0.750 0.000 0.811 95 S HN 0.387 nan 8.310 nan 0.000 0.489 96 Y N 1.256 121.465 120.300 -0.152 0.000 2.369 96 Y HA 0.562 5.112 4.550 -0.000 0.000 0.337 96 Y C -0.429 175.442 175.900 -0.048 0.000 0.961 96 Y CA -1.712 56.356 58.100 -0.054 0.000 1.186 96 Y CB 0.307 38.765 38.460 -0.003 0.000 1.139 96 Y HN -0.011 nan 8.280 nan 0.000 0.494 97 L N 6.470 127.766 121.223 0.122 0.000 2.288 97 L HA 0.392 4.732 4.340 -0.001 0.000 0.283 97 L C -0.778 176.149 176.870 0.094 0.000 1.072 97 L CA -0.157 54.730 54.840 0.078 0.000 0.862 97 L CB -0.748 41.347 42.059 0.060 0.000 1.245 97 L HN 0.841 nan 8.230 nan 0.000 0.432 98 N N 0.321 119.069 118.700 0.079 0.000 2.732 98 N HA 0.318 5.058 4.740 -0.001 0.000 0.259 98 N C 0.223 175.730 175.510 -0.005 0.000 1.402 98 N CA -0.841 52.239 53.050 0.050 0.000 0.829 98 N CB 0.655 39.175 38.487 0.056 0.000 1.495 98 N HN 0.247 nan 8.380 nan 0.000 0.511 99 E N -0.532 119.647 120.200 -0.035 0.000 2.021 99 E HA -0.142 4.208 4.350 -0.001 0.000 0.200 99 E C -0.921 175.562 176.600 -0.194 0.000 1.015 99 E CA 1.950 58.306 56.400 -0.073 0.000 0.824 99 E CB -0.944 28.744 29.700 -0.020 0.000 0.762 99 E HN 0.605 nan 8.360 nan 0.000 0.454 100 P HA -0.198 nan 4.420 nan 0.000 0.216 100 P C 1.027 177.893 177.300 -0.722 0.000 1.150 100 P CA 1.864 64.418 63.100 -0.911 0.000 0.837 100 P CB -0.007 30.700 31.700 -1.656 0.000 0.786 101 A N -0.229 122.386 122.820 -0.341 0.000 1.898 101 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 101 A C 2.472 180.055 177.584 -0.002 0.000 1.181 101 A CA 1.676 53.704 52.037 -0.016 0.000 0.620 101 A CB -1.562 17.538 19.000 0.167 0.000 0.819 101 A HN 0.068 nan 8.150 nan 0.000 0.442 102 V N -1.078 118.826 119.914 -0.016 0.000 2.358 102 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 102 V C 2.277 178.389 176.094 0.029 0.000 1.047 102 V CA 1.996 64.307 62.300 0.017 0.000 1.035 102 V CB -0.927 30.919 31.823 0.038 0.000 0.658 102 V HN 0.622 nan 8.190 nan 0.000 0.452 103 F N 1.161 121.014 119.950 -0.161 0.000 2.134 103 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 103 F C 2.417 178.117 175.800 -0.166 0.000 1.097 103 F CA 2.137 60.036 58.000 -0.169 0.000 1.264 103 F CB -0.876 37.996 39.000 -0.214 0.000 1.001 103 F HN 0.347 nan 8.300 nan 0.000 0.479 104 H N 0.051 118.842 119.070 -0.465 0.000 2.289 104 H HA -0.227 4.329 4.556 -0.000 0.000 0.296 104 H C 2.225 177.391 175.328 -0.271 0.000 1.091 104 H CA 2.472 58.230 56.048 -0.484 0.000 1.274 104 H CB -0.819 28.716 29.762 -0.378 0.000 1.364 104 H HN 0.307 nan 8.280 nan 0.000 0.490 105 N N -0.345 118.217 118.700 -0.231 0.000 2.149 105 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 105 N C 1.892 177.271 175.510 -0.219 0.000 1.019 105 N CA 1.549 54.481 53.050 -0.198 0.000 0.857 105 N CB -0.246 38.216 38.487 -0.042 0.000 0.997 105 N HN 0.450 nan 8.380 nan 0.000 0.426 106 L N -0.299 120.802 121.223 -0.204 0.000 2.109 106 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 106 L C 2.590 179.328 176.870 -0.219 0.000 1.086 106 L CA 0.721 55.467 54.840 -0.156 0.000 0.760 106 L CB -0.387 41.626 42.059 -0.076 0.000 0.910 106 L HN 0.210 nan 8.230 nan 0.000 0.437 107 R N 0.201 120.429 120.500 -0.454 0.000 2.073 107 R HA -0.150 4.189 4.340 -0.001 0.000 0.234 107 R C 2.236 178.386 176.300 -0.251 0.000 1.134 107 R CA 1.592 57.426 56.100 -0.443 0.000 0.952 107 R CB -0.225 29.629 30.300 -0.744 0.000 0.850 107 R HN 0.119 nan 8.270 nan 0.000 0.433 108 V N 1.332 121.032 119.914 -0.356 0.000 2.233 108 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 108 V C 2.488 178.501 176.094 -0.134 0.000 1.050 108 V CA 2.260 64.408 62.300 -0.254 0.000 1.010 108 V CB -0.575 31.069 31.823 -0.299 0.000 0.637 108 V HN 0.431 nan 8.190 nan 0.000 0.444 109 R N -1.314 119.115 120.500 -0.119 0.000 2.083 109 R HA -0.213 4.127 4.340 -0.001 0.000 0.237 109 R C 2.331 178.606 176.300 -0.043 0.000 1.137 109 R CA 2.104 58.161 56.100 -0.072 0.000 0.951 109 R CB -0.663 29.598 30.300 -0.065 0.000 0.851 109 R HN 0.568 nan 8.270 nan 0.000 0.434 110 Y N 2.426 122.635 120.300 -0.150 0.000 2.128 110 Y HA -0.223 4.327 4.550 -0.001 0.000 0.284 110 Y C 1.887 177.727 175.900 -0.100 0.000 1.154 110 Y CA 1.527 59.550 58.100 -0.128 0.000 1.149 110 Y CB -0.314 38.074 38.460 -0.119 0.000 0.976 110 Y HN 0.033 nan 8.280 nan 0.000 0.505 111 N N 0.376 119.069 118.700 -0.012 0.000 2.334 111 N HA -0.178 4.562 4.740 -0.001 0.000 0.187 111 N C 0.564 176.009 175.510 -0.109 0.000 1.016 111 N CA 1.656 54.669 53.050 -0.063 0.000 0.879 111 N CB -0.305 38.165 38.487 -0.029 0.000 0.965 111 N HN 0.652 nan 8.380 nan 0.000 0.438 112 Q N 0.165 119.897 119.800 -0.114 0.000 2.186 112 Q HA 0.174 4.514 4.340 -0.001 0.000 0.241 112 Q C -0.831 175.092 176.000 -0.128 0.000 0.849 112 Q CA -0.284 55.458 55.803 -0.101 0.000 1.053 112 Q CB 0.440 29.132 28.738 -0.076 0.000 1.146 112 Q HN 0.006 nan 8.270 nan 0.000 0.475 113 D N 0.765 121.035 120.400 -0.216 0.000 2.945 113 D HA -0.163 4.477 4.640 -0.001 0.000 0.225 113 D C -0.751 175.431 176.300 -0.196 0.000 1.158 113 D CA 0.838 54.695 54.000 -0.239 0.000 0.805 113 D CB -1.382 39.324 40.800 -0.155 0.000 1.098 113 D HN 0.416 nan 8.370 nan 0.000 0.426 114 L N 1.389 122.511 121.223 -0.169 0.000 2.287 114 L HA 0.362 4.701 4.340 -0.001 0.000 0.280 114 L C 2.088 178.864 176.870 -0.157 0.000 1.055 114 L CA -0.554 54.199 54.840 -0.145 0.000 0.863 114 L CB 0.547 42.545 42.059 -0.101 0.000 1.245 114 L HN 0.079 nan 8.230 nan 0.000 0.432 115 I N -1.356 119.041 120.570 -0.288 0.000 3.226 115 I HA 0.051 4.221 4.170 -0.001 0.000 0.277 115 I C -0.079 175.744 176.117 -0.491 0.000 1.243 115 I CA 0.432 61.512 61.300 -0.367 0.000 1.459 115 I CB 0.075 37.757 38.000 -0.530 0.000 1.093 115 I HN 0.215 nan 8.210 nan 0.000 0.453 116 Y N 2.080 122.266 120.300 -0.191 0.000 2.342 116 Y HA 0.604 5.154 4.550 -0.000 0.000 0.334 116 Y C -0.082 175.664 175.900 -0.257 0.000 1.067 116 Y CA -0.809 57.141 58.100 -0.250 0.000 1.128 116 Y CB 1.666 39.911 38.460 -0.358 0.000 1.200 116 Y HN -0.064 nan 8.280 nan 0.000 0.464 117 T N 2.488 116.986 114.554 -0.094 0.000 3.032 117 T HA 0.311 4.661 4.350 -0.001 0.000 0.312 117 T C -1.308 173.264 174.700 -0.212 0.000 1.078 117 T CA -0.962 61.048 62.100 -0.151 0.000 1.028 117 T CB 0.513 69.342 68.868 -0.065 0.000 1.091 117 T HN 0.190 nan 8.240 nan 0.000 0.457 118 Y N 1.143 121.429 120.300 -0.024 0.000 2.336 118 Y HA 0.418 4.968 4.550 -0.001 0.000 0.331 118 Y C 1.242 177.026 175.900 -0.193 0.000 1.211 118 Y CA -0.320 57.723 58.100 -0.096 0.000 1.346 118 Y CB 0.963 39.380 38.460 -0.072 0.000 1.271 118 Y HN 0.561 nan 8.280 nan 0.000 0.538 119 S N 2.121 117.690 115.700 -0.218 0.000 2.128 119 S HA 0.496 4.966 4.470 -0.001 0.000 0.157 119 S C 0.458 174.682 174.600 -0.627 0.000 1.650 119 S CA -0.025 57.891 58.200 -0.473 0.000 1.269 119 S CB -0.232 62.512 63.200 -0.760 0.000 1.227 119 S HN 1.217 nan 8.310 nan 0.000 0.405 120 G N 1.861 110.508 108.800 -0.256 0.000 2.509 120 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.256 120 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.256 120 G C 0.475 175.263 174.900 -0.185 0.000 1.152 120 G CA 0.081 45.063 45.100 -0.196 0.000 0.951 120 G HN 0.487 nan 8.290 nan 0.000 0.559 121 L N 1.207 122.385 121.223 -0.075 0.000 2.465 121 L HA 0.307 4.646 4.340 -0.001 0.000 0.224 121 L C 1.280 178.300 176.870 0.249 0.000 1.145 121 L CA 0.956 55.841 54.840 0.075 0.000 0.834 121 L CB -0.462 41.669 42.059 0.119 0.000 0.944 121 L HN 0.437 nan 8.230 nan 0.000 0.451 122 F N -2.172 117.920 119.950 0.237 0.000 2.575 122 F HA 0.655 5.181 4.527 -0.001 0.000 0.330 122 F C -0.573 175.425 175.800 0.330 0.000 1.056 122 F CA -1.994 56.196 58.000 0.316 0.000 0.964 122 F CB 0.663 39.884 39.000 0.369 0.000 1.258 122 F HN -0.393 nan 8.300 nan 0.000 0.484 123 L N 1.882 123.376 121.223 0.451 0.000 2.325 123 L HA 0.744 5.084 4.340 -0.001 0.000 0.279 123 L C -1.022 175.995 176.870 0.245 0.000 1.054 123 L CA -0.641 54.337 54.840 0.230 0.000 0.804 123 L CB 1.653 43.787 42.059 0.124 0.000 1.200 123 L HN 0.588 nan 8.230 nan 0.000 0.436 124 V N 4.273 124.260 119.914 0.122 0.000 2.459 124 V HA 0.831 4.951 4.120 -0.001 0.000 0.295 124 V C -0.066 176.082 176.094 0.090 0.000 1.029 124 V CA -0.376 61.996 62.300 0.119 0.000 0.874 124 V CB 1.236 33.108 31.823 0.081 0.000 0.985 124 V HN 0.947 nan 8.190 nan 0.000 0.438 125 A N 4.631 127.490 122.820 0.064 0.000 2.340 125 A HA 0.777 5.096 4.320 -0.001 0.000 0.297 125 A C -0.883 176.636 177.584 -0.109 0.000 1.195 125 A CA -0.478 51.543 52.037 -0.027 0.000 0.769 125 A CB 1.341 20.403 19.000 0.102 0.000 1.163 125 A HN 0.641 nan 8.150 nan 0.000 0.472 126 V N 3.354 123.173 119.914 -0.158 0.000 2.383 126 V HA 0.208 4.328 4.120 -0.001 0.000 0.275 126 V C 0.502 176.529 176.094 -0.112 0.000 1.036 126 V CA -0.984 61.236 62.300 -0.132 0.000 0.889 126 V CB 1.157 32.882 31.823 -0.165 0.000 0.985 126 V HN 0.891 nan 8.190 nan 0.000 0.459 127 N N 7.720 126.312 118.700 -0.181 0.000 2.447 127 N HA 0.103 4.842 4.740 -0.001 0.000 0.263 127 N C -1.363 174.074 175.510 -0.121 0.000 1.226 127 N CA -1.483 51.385 53.050 -0.303 0.000 0.906 127 N CB 1.660 39.767 38.487 -0.634 0.000 1.060 127 N HN 0.322 nan 8.380 nan 0.000 0.468 128 P HA 0.057 nan 4.420 nan 0.000 0.224 128 P C -0.104 177.249 177.300 0.087 0.000 1.157 128 P CA 0.359 63.449 63.100 -0.016 0.000 0.799 128 P CB 0.117 31.739 31.700 -0.131 0.000 0.809 129 F N -0.420 119.553 119.950 0.040 0.000 3.057 129 F HA -0.250 4.276 4.527 -0.001 0.000 0.287 129 F C 0.554 176.356 175.800 0.003 0.000 0.834 129 F CA 1.107 59.124 58.000 0.029 0.000 1.147 129 F CB -2.231 36.797 39.000 0.046 0.000 1.245 129 F HN 0.181 nan 8.300 nan 0.000 0.509 130 K N -1.425 119.041 120.400 0.109 0.000 2.625 130 K HA 0.628 4.948 4.320 -0.001 0.000 0.284 130 K C -0.791 175.817 176.600 0.013 0.000 0.984 130 K CA -1.332 54.989 56.287 0.058 0.000 0.865 130 K CB 1.412 33.929 32.500 0.028 0.000 1.468 130 K HN -0.025 nan 8.250 nan 0.000 0.407 131 R N 1.393 121.899 120.500 0.011 0.000 2.438 131 R HA 0.393 4.733 4.340 -0.001 0.000 0.287 131 R C -0.377 175.895 176.300 -0.045 0.000 1.077 131 R CA -0.357 55.747 56.100 0.007 0.000 1.034 131 R CB 0.240 30.547 30.300 0.012 0.000 0.993 131 R HN 0.518 nan 8.270 nan 0.000 0.459 132 I N 4.154 124.689 120.570 -0.059 0.000 2.447 132 I HA 0.213 4.382 4.170 -0.001 0.000 0.287 132 I C -1.929 174.043 176.117 -0.243 0.000 1.023 132 I CA -2.296 58.892 61.300 -0.186 0.000 1.083 132 I CB 2.532 40.411 38.000 -0.202 0.000 1.245 132 I HN 0.331 nan 8.210 nan 0.000 0.434 133 P HA 0.139 nan 4.420 nan 0.000 0.231 133 P C 0.430 177.524 177.300 -0.344 0.000 1.756 133 P CA 0.271 63.163 63.100 -0.347 0.000 0.990 133 P CB -0.576 30.826 31.700 -0.497 0.000 1.973 134 I N -4.705 115.618 120.570 -0.411 0.000 3.936 134 I HA 0.302 4.472 4.170 -0.001 0.000 0.330 134 I C -0.253 175.631 176.117 -0.388 0.000 1.509 134 I CA -0.451 60.614 61.300 -0.392 0.000 1.126 134 I CB -0.042 37.676 38.000 -0.471 0.000 1.115 134 I HN -0.182 nan 8.210 nan 0.000 0.424 135 Y N 1.571 121.966 120.300 0.158 0.000 2.706 135 Y HA 0.295 4.845 4.550 -0.001 0.000 0.255 135 Y C 1.368 177.475 175.900 0.345 0.000 1.163 135 Y CA -0.878 57.399 58.100 0.295 0.000 1.174 135 Y CB -0.227 38.352 38.460 0.199 0.000 1.200 135 Y HN 0.182 nan 8.280 nan 0.000 0.544 136 T N -3.313 111.446 114.554 0.342 0.000 2.754 136 T HA 0.051 4.401 4.350 -0.001 0.000 0.286 136 T C 1.322 176.177 174.700 0.259 0.000 0.997 136 T CA -0.349 61.904 62.100 0.255 0.000 0.982 136 T CB 1.117 70.087 68.868 0.171 0.000 1.027 136 T HN 0.146 nan 8.240 nan 0.000 0.529 137 Q N 0.343 120.240 119.800 0.161 0.000 2.135 137 Q HA -0.136 4.204 4.340 -0.001 0.000 0.204 137 Q C 1.953 178.021 176.000 0.113 0.000 0.981 137 Q CA 2.003 57.868 55.803 0.104 0.000 0.856 137 Q CB -0.577 28.197 28.738 0.060 0.000 0.902 137 Q HN 0.853 nan 8.270 nan 0.000 0.425 138 E N -0.800 119.478 120.200 0.129 0.000 2.077 138 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 138 E C 1.823 178.534 176.600 0.184 0.000 0.989 138 E CA 1.447 57.923 56.400 0.125 0.000 0.800 138 E CB -0.206 29.565 29.700 0.118 0.000 0.746 138 E HN 0.342 nan 8.360 nan 0.000 0.452 139 M N 0.188 119.952 119.600 0.275 0.000 2.117 139 M HA -0.122 4.358 4.480 -0.001 0.000 0.262 139 M C 2.282 178.912 176.300 0.551 0.000 1.065 139 M CA 1.063 56.620 55.300 0.428 0.000 1.114 139 M CB -0.736 32.143 32.600 0.465 0.000 1.361 139 M HN 0.058 nan 8.290 nan 0.000 0.408 140 V N 1.018 121.163 119.914 0.386 0.000 2.255 140 V HA -0.297 3.822 4.120 -0.001 0.000 0.247 140 V C 1.983 178.198 176.094 0.201 0.000 1.051 140 V CA 2.061 64.439 62.300 0.129 0.000 1.018 140 V CB -0.868 30.864 31.823 -0.152 0.000 0.641 140 V HN 0.363 nan 8.190 nan 0.000 0.445 141 D N -0.210 120.252 120.400 0.103 0.000 2.158 141 D HA -0.183 4.457 4.640 -0.001 0.000 0.197 141 D C 1.948 178.268 176.300 0.035 0.000 0.995 141 D CA 1.427 55.453 54.000 0.043 0.000 0.846 141 D CB -0.281 40.533 40.800 0.023 0.000 0.941 141 D HN 0.415 nan 8.370 nan 0.000 0.456 142 I N -0.025 120.562 120.570 0.029 0.000 2.226 142 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 142 I C 1.961 177.926 176.117 -0.253 0.000 1.100 142 I CA 0.835 62.029 61.300 -0.177 0.000 1.374 142 I CB -0.211 37.596 38.000 -0.320 0.000 1.057 142 I HN -0.101 nan 8.210 nan 0.000 0.413 143 F N 0.710 120.715 119.950 0.091 0.000 2.365 143 F HA -0.083 4.444 4.527 -0.001 0.000 0.300 143 F C 1.427 177.304 175.800 0.129 0.000 1.090 143 F CA 0.546 58.607 58.000 0.103 0.000 1.408 143 F CB -0.664 38.378 39.000 0.069 0.000 1.060 143 F HN -0.145 nan 8.300 nan 0.000 0.534 144 K N 1.070 121.618 120.400 0.246 0.000 2.321 144 K HA -0.017 4.303 4.320 -0.001 0.000 0.266 144 K C 1.235 177.887 176.600 0.087 0.000 1.215 144 K CA 0.858 57.226 56.287 0.135 0.000 1.225 144 K CB -0.713 31.794 32.500 0.012 0.000 0.827 144 K HN 0.496 nan 8.250 nan 0.000 0.478 145 G N 3.518 112.391 108.800 0.122 0.000 2.189 145 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.267 145 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.267 145 G C -0.073 174.866 174.900 0.065 0.000 0.975 145 G CA 0.086 45.236 45.100 0.083 0.000 0.644 145 G HN 0.585 nan 8.290 nan 0.000 0.537 146 R N 0.505 121.048 120.500 0.071 0.000 2.543 146 R HA 0.411 4.751 4.340 -0.001 0.000 0.277 146 R C 0.942 177.281 176.300 0.065 0.000 1.074 146 R CA -0.530 55.595 56.100 0.041 0.000 1.076 146 R CB 0.290 30.588 30.300 -0.003 0.000 0.993 146 R HN 0.425 nan 8.270 nan 0.000 0.459 147 R N 1.377 121.900 120.500 0.039 0.000 2.623 147 R HA 0.007 4.347 4.340 -0.001 0.000 0.271 147 R C 1.673 178.002 176.300 0.049 0.000 1.043 147 R CA 0.041 56.160 56.100 0.032 0.000 1.083 147 R CB 0.520 30.829 30.300 0.015 0.000 0.974 147 R HN 0.559 nan 8.270 nan 0.000 0.436 148 R N 2.314 122.830 120.500 0.027 0.000 2.133 148 R HA -0.275 4.065 4.340 -0.001 0.000 0.247 148 R C 1.306 177.628 176.300 0.037 0.000 1.151 148 R CA 2.604 58.717 56.100 0.022 0.000 0.971 148 R CB -0.200 30.025 30.300 -0.125 0.000 0.866 148 R HN 0.765 nan 8.270 nan 0.000 0.447 149 N N 0.172 118.872 118.700 0.001 0.000 2.244 149 N HA -0.178 4.561 4.740 -0.001 0.000 0.183 149 N C 1.065 176.606 175.510 0.052 0.000 1.016 149 N CA 1.704 54.764 53.050 0.018 0.000 0.866 149 N CB -0.308 38.178 38.487 -0.000 0.000 0.980 149 N HN 0.473 nan 8.380 nan 0.000 0.430 150 E N 0.171 120.398 120.200 0.045 0.000 2.285 150 E HA -0.001 4.349 4.350 -0.001 0.000 0.194 150 E C 0.384 177.002 176.600 0.030 0.000 0.997 150 E CA 0.617 57.036 56.400 0.032 0.000 0.845 150 E CB 0.043 29.745 29.700 0.004 0.000 0.782 150 E HN 0.431 nan 8.360 nan 0.000 0.491 151 V N -2.017 117.952 119.914 0.092 0.000 3.113 151 V HA 0.762 4.882 4.120 -0.001 0.000 0.316 151 V C 0.046 176.314 176.094 0.290 0.000 1.125 151 V CA -1.255 61.137 62.300 0.153 0.000 1.026 151 V CB 1.507 33.349 31.823 0.033 0.000 1.080 151 V HN 0.034 nan 8.190 nan 0.000 0.444 152 A N 1.698 124.725 122.820 0.344 0.000 2.346 152 A HA 0.704 5.024 4.320 -0.001 0.000 0.252 152 A C -2.382 175.397 177.584 0.325 0.000 1.089 152 A CA -1.295 50.894 52.037 0.253 0.000 0.797 152 A CB -0.728 18.303 19.000 0.052 0.000 1.047 152 A HN 0.819 nan 8.150 nan 0.000 0.494 153 P HA 0.221 nan 4.420 nan 0.000 0.268 153 P C -0.500 176.698 177.300 -0.169 0.000 1.204 153 P CA 0.811 63.767 63.100 -0.239 0.000 0.768 153 P CB 0.334 31.669 31.700 -0.609 0.000 0.842 154 H N 2.139 120.894 119.070 -0.524 0.000 3.068 154 H HA 0.142 4.698 4.556 -0.000 0.000 0.342 154 H C 0.380 175.051 175.328 -1.095 0.000 1.284 154 H CA -0.555 54.900 56.048 -0.989 0.000 1.181 154 H CB 1.487 30.626 29.762 -1.037 0.000 1.898 154 H HN 0.176 nan 8.280 nan 0.000 0.540 155 I N 2.798 122.560 120.570 -1.346 0.000 2.361 155 I HA -0.194 3.976 4.170 -0.001 0.000 0.251 155 I C 1.429 177.398 176.117 -0.246 0.000 1.133 155 I CA 1.341 62.273 61.300 -0.613 0.000 1.413 155 I CB -0.538 37.212 38.000 -0.417 0.000 1.073 155 I HN 0.429 nan 8.210 nan 0.000 0.424 156 F N 1.029 120.806 119.950 -0.289 0.000 2.216 156 F HA -0.077 4.449 4.527 -0.000 0.000 0.300 156 F C 2.586 177.790 175.800 -0.993 0.000 1.085 156 F CA 0.823 58.231 58.000 -0.987 0.000 1.326 156 F CB -1.816 36.306 39.000 -1.463 0.000 1.027 156 F HN 0.177 nan 8.300 nan 0.000 0.497 157 A N 0.007 122.528 122.820 -0.499 0.000 1.929 157 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 157 A C 2.311 179.854 177.584 -0.067 0.000 1.176 157 A CA 1.211 53.172 52.037 -0.126 0.000 0.628 157 A CB -1.046 18.036 19.000 0.137 0.000 0.816 157 A HN 0.368 nan 8.150 nan 0.000 0.444 158 I N -0.246 120.279 120.570 -0.074 0.000 2.315 158 I HA -0.201 3.968 4.170 -0.001 0.000 0.248 158 I C 2.322 178.360 176.117 -0.131 0.000 1.117 158 I CA 1.544 62.824 61.300 -0.033 0.000 1.404 158 I CB 0.034 38.068 38.000 0.057 0.000 1.071 158 I HN 0.273 nan 8.210 nan 0.000 0.419 159 S N 0.156 115.763 115.700 -0.155 0.000 2.368 159 S HA -0.248 4.222 4.470 -0.001 0.000 0.225 159 S C 1.784 176.377 174.600 -0.013 0.000 1.030 159 S CA 1.612 59.755 58.200 -0.095 0.000 0.999 159 S CB -0.454 62.707 63.200 -0.065 0.000 0.844 159 S HN 0.583 nan 8.310 nan 0.000 0.459 160 D N 1.068 121.433 120.400 -0.058 0.000 2.117 160 D HA -0.095 4.544 4.640 -0.001 0.000 0.197 160 D C 1.950 178.306 176.300 0.094 0.000 0.987 160 D CA 0.998 55.094 54.000 0.160 0.000 0.829 160 D CB 0.022 40.929 40.800 0.178 0.000 0.961 160 D HN 0.200 nan 8.370 nan 0.000 0.460 161 V N 1.499 121.401 119.914 -0.021 0.000 2.295 161 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 161 V C 2.726 178.720 176.094 -0.167 0.000 1.049 161 V CA 1.829 64.087 62.300 -0.071 0.000 1.024 161 V CB -0.789 30.980 31.823 -0.089 0.000 0.648 161 V HN 0.251 nan 8.190 nan 0.000 0.447 162 A N -0.950 121.665 122.820 -0.342 0.000 1.883 162 A HA -0.297 4.022 4.320 -0.001 0.000 0.217 162 A C 2.171 179.667 177.584 -0.147 0.000 1.186 162 A CA 2.233 54.023 52.037 -0.410 0.000 0.624 162 A CB -0.855 17.883 19.000 -0.437 0.000 0.822 162 A HN 0.638 nan 8.150 nan 0.000 0.444 163 Y N 0.804 120.981 120.300 -0.205 0.000 2.165 163 Y HA -0.225 4.325 4.550 -0.001 0.000 0.286 163 Y C 2.476 178.219 175.900 -0.261 0.000 1.155 163 Y CA 2.075 60.020 58.100 -0.260 0.000 1.164 163 Y CB -0.086 38.266 38.460 -0.180 0.000 0.978 163 Y HN 0.212 nan 8.280 nan 0.000 0.513 164 R N -0.616 119.787 120.500 -0.161 0.000 2.092 164 R HA -0.082 4.258 4.340 -0.001 0.000 0.231 164 R C 2.402 178.544 176.300 -0.262 0.000 1.119 164 R CA 1.280 57.243 56.100 -0.230 0.000 0.970 164 R CB -1.193 29.058 30.300 -0.083 0.000 0.864 164 R HN 0.270 nan 8.270 nan 0.000 0.440 165 S N 1.479 117.067 115.700 -0.187 0.000 2.399 165 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 165 S C 1.834 176.284 174.600 -0.250 0.000 1.022 165 S CA 1.103 59.212 58.200 -0.152 0.000 0.983 165 S CB -0.143 63.038 63.200 -0.032 0.000 0.803 165 S HN 0.308 nan 8.310 nan 0.000 0.480 166 M N 0.997 120.382 119.600 -0.358 0.000 2.067 166 M HA -0.101 4.378 4.480 -0.001 0.000 0.260 166 M C 1.702 177.589 176.300 -0.688 0.000 1.069 166 M CA 1.621 56.615 55.300 -0.510 0.000 1.117 166 M CB -0.246 31.999 32.600 -0.591 0.000 1.334 166 M HN 0.267 nan 8.290 nan 0.000 0.407 167 L N -0.152 120.657 121.223 -0.690 0.000 2.044 167 L HA -0.204 4.135 4.340 -0.001 0.000 0.205 167 L C 2.115 178.757 176.870 -0.380 0.000 1.075 167 L CA 1.038 55.517 54.840 -0.600 0.000 0.747 167 L CB -1.052 40.645 42.059 -0.603 0.000 0.903 167 L HN 0.284 nan 8.230 nan 0.000 0.435 168 D N 0.275 120.495 120.400 -0.300 0.000 2.097 168 D HA -0.174 4.466 4.640 -0.001 0.000 0.195 168 D C 1.587 177.791 176.300 -0.160 0.000 0.989 168 D CA 1.386 55.271 54.000 -0.191 0.000 0.827 168 D CB -0.204 40.510 40.800 -0.143 0.000 0.966 168 D HN 0.336 nan 8.370 nan 0.000 0.456 169 D N -0.272 120.022 120.400 -0.177 0.000 2.354 169 D HA 0.061 4.701 4.640 -0.001 0.000 0.209 169 D C 0.267 176.492 176.300 -0.126 0.000 1.015 169 D CA -0.017 53.905 54.000 -0.130 0.000 0.867 169 D CB 0.297 41.029 40.800 -0.112 0.000 0.933 169 D HN 0.116 nan 8.370 nan 0.000 0.520 170 R N 0.990 121.349 120.500 -0.235 0.000 3.336 170 R HA -0.178 4.161 4.340 -0.001 0.000 0.260 170 R C 0.070 176.365 176.300 -0.008 0.000 1.032 170 R CA 0.485 56.461 56.100 -0.206 0.000 0.693 170 R CB -1.863 28.482 30.300 0.074 0.000 1.134 170 R HN 0.428 nan 8.270 nan 0.000 0.433 171 Q N 0.000 119.711 119.800 -0.149 0.000 2.413 171 Q HA 0.418 4.757 4.340 -0.001 0.000 0.276 171 Q C -0.930 175.005 176.000 -0.108 0.000 1.099 171 Q CA -1.119 54.654 55.803 -0.050 0.000 0.814 171 Q CB 1.681 30.384 28.738 -0.059 0.000 1.379 171 Q HN 0.020 nan 8.270 nan 0.000 0.436 172 N N 1.895 120.525 118.700 -0.117 0.000 2.513 172 N HA 0.229 4.969 4.740 -0.001 0.000 0.274 172 N C -0.549 174.793 175.510 -0.280 0.000 1.189 172 N CA -0.111 52.728 53.050 -0.351 0.000 0.975 172 N CB 1.020 39.027 38.487 -0.800 0.000 1.157 172 N HN 0.539 nan 8.380 nan 0.000 0.465 173 Q N -0.090 119.542 119.800 -0.282 0.000 2.458 173 Q HA 0.579 4.918 4.340 -0.001 0.000 0.282 173 Q C -0.693 175.325 176.000 0.030 0.000 1.106 173 Q CA -0.827 54.942 55.803 -0.055 0.000 0.814 173 Q CB 2.046 30.824 28.738 0.067 0.000 1.425 173 Q HN 0.720 nan 8.270 nan 0.000 0.437 174 S N -0.127 115.645 115.700 0.121 0.000 2.549 174 S HA 0.757 5.226 4.470 -0.001 0.000 0.280 174 S C -0.928 173.760 174.600 0.147 0.000 1.109 174 S CA -0.801 57.500 58.200 0.168 0.000 0.905 174 S CB 1.119 64.427 63.200 0.181 0.000 1.081 174 S HN 0.429 nan 8.310 nan 0.000 0.477 175 L N 2.122 123.426 121.223 0.135 0.000 2.318 175 L HA 0.491 4.830 4.340 -0.001 0.000 0.277 175 L C -1.134 175.783 176.870 0.079 0.000 1.008 175 L CA -0.429 54.472 54.840 0.102 0.000 0.846 175 L CB 1.185 43.305 42.059 0.102 0.000 1.220 175 L HN 0.616 nan 8.230 nan 0.000 0.423 176 L N 5.496 126.722 121.223 0.004 0.000 2.259 176 L HA 0.487 4.827 4.340 -0.001 0.000 0.288 176 L C -0.353 176.603 176.870 0.143 0.000 1.051 176 L CA -0.238 54.631 54.840 0.047 0.000 0.824 176 L CB 0.704 42.733 42.059 -0.050 0.000 1.206 176 L HN 0.481 nan 8.230 nan 0.000 0.429 177 I N 3.063 123.709 120.570 0.127 0.000 2.307 177 I HA 0.254 4.423 4.170 -0.001 0.000 0.289 177 I C 0.780 176.960 176.117 0.105 0.000 1.021 177 I CA -0.275 61.098 61.300 0.122 0.000 1.224 177 I CB 1.495 39.551 38.000 0.092 0.000 1.376 177 I HN 0.589 nan 8.210 nan 0.000 0.470 178 T N 2.321 116.936 114.554 0.101 0.000 2.912 178 T HA 0.908 5.257 4.350 -0.001 0.000 0.280 178 T C 0.100 174.827 174.700 0.045 0.000 0.989 178 T CA -0.590 61.547 62.100 0.062 0.000 0.995 178 T CB 2.087 70.962 68.868 0.011 0.000 1.077 178 T HN 0.959 nan 8.240 nan 0.000 0.531 179 G N 0.467 109.300 108.800 0.055 0.000 2.352 179 G HA2 0.363 4.323 3.960 -0.001 0.000 0.305 179 G HA3 0.363 4.323 3.960 -0.001 0.000 0.305 179 G C -0.926 174.026 174.900 0.087 0.000 1.537 179 G CA -0.440 44.691 45.100 0.051 0.000 0.959 179 G HN 1.085 nan 8.290 nan 0.000 0.668 180 E N -0.226 120.020 120.200 0.076 0.000 2.397 180 E HA 0.524 4.873 4.350 -0.001 0.000 0.254 180 E C 0.577 177.224 176.600 0.078 0.000 1.231 180 E CA -0.017 56.450 56.400 0.112 0.000 0.954 180 E CB 0.853 30.606 29.700 0.087 0.000 1.024 180 E HN 0.610 nan 8.360 nan 0.000 0.481 181 S N -0.127 115.612 115.700 0.065 0.000 2.546 181 S HA 0.311 4.781 4.470 -0.001 0.000 0.290 181 S C 1.010 175.658 174.600 0.079 0.000 1.290 181 S CA 0.710 58.943 58.200 0.055 0.000 1.069 181 S CB -0.570 62.647 63.200 0.029 0.000 0.846 181 S HN 1.005 nan 8.310 nan 0.000 0.495 182 G N 3.212 112.068 108.800 0.092 0.000 2.176 182 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.253 182 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.253 182 G C 0.914 175.859 174.900 0.075 0.000 0.979 182 G CA 0.363 45.545 45.100 0.137 0.000 0.641 182 G HN 1.377 nan 8.290 nan 0.000 0.530 183 A N -0.288 122.548 122.820 0.026 0.000 2.015 183 A HA 0.481 4.801 4.320 -0.001 0.000 0.219 183 A C 2.605 180.130 177.584 -0.098 0.000 1.163 183 A CA 2.424 54.440 52.037 -0.035 0.000 0.646 183 A CB -0.371 18.625 19.000 -0.008 0.000 0.806 183 A HN 2.509 nan 8.150 nan 0.000 0.448 184 G N -1.463 107.294 108.800 -0.072 0.000 2.151 184 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.140 184 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.140 184 G C 0.710 175.591 174.900 -0.031 0.000 1.020 184 G CA 0.464 45.513 45.100 -0.085 0.000 0.688 184 G HN 0.444 nan 8.290 nan 0.000 0.500 185 K N -0.114 120.284 120.400 -0.003 0.000 2.026 185 K HA -0.045 4.275 4.320 -0.001 0.000 0.208 185 K C 2.510 179.118 176.600 0.014 0.000 1.048 185 K CA 1.893 58.191 56.287 0.017 0.000 0.929 185 K CB -0.281 32.235 32.500 0.027 0.000 0.713 185 K HN 0.275 nan 8.250 nan 0.000 0.439 186 T N 1.491 116.050 114.554 0.009 0.000 2.821 186 T HA -0.089 4.261 4.350 -0.001 0.000 0.267 186 T C 1.585 176.287 174.700 0.004 0.000 1.046 186 T CA 1.077 63.185 62.100 0.013 0.000 1.139 186 T CB -0.078 68.804 68.868 0.023 0.000 0.871 186 T HN 0.202 nan 8.240 nan 0.000 0.454 187 E N 1.624 121.812 120.200 -0.020 0.000 2.051 187 E HA -0.076 4.274 4.350 -0.001 0.000 0.192 187 E C 2.226 178.782 176.600 -0.074 0.000 0.991 187 E CA 0.750 57.113 56.400 -0.063 0.000 0.799 187 E CB -0.452 29.189 29.700 -0.099 0.000 0.748 187 E HN 0.505 nan 8.360 nan 0.000 0.449 188 N N 0.496 119.175 118.700 -0.034 0.000 2.104 188 N HA -0.110 4.630 4.740 -0.001 0.000 0.190 188 N C 1.879 177.401 175.510 0.020 0.000 1.024 188 N CA 1.524 54.574 53.050 0.000 0.000 0.853 188 N CB -0.337 38.180 38.487 0.051 0.000 1.008 188 N HN 0.140 nan 8.380 nan 0.000 0.424 189 T N 2.058 116.629 114.554 0.028 0.000 2.665 189 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 189 T C 1.867 176.596 174.700 0.048 0.000 1.035 189 T CA 1.198 63.325 62.100 0.044 0.000 1.151 189 T CB -0.069 68.823 68.868 0.041 0.000 0.862 189 T HN 0.317 nan 8.240 nan 0.000 0.438 190 K N 0.645 121.063 120.400 0.029 0.000 2.103 190 K HA -0.081 4.239 4.320 -0.001 0.000 0.207 190 K C 2.358 178.990 176.600 0.054 0.000 1.048 190 K CA 0.862 57.169 56.287 0.033 0.000 0.930 190 K CB -0.037 32.468 32.500 0.008 0.000 0.716 190 K HN 0.175 nan 8.250 nan 0.000 0.444 191 K N 0.749 121.173 120.400 0.041 0.000 2.103 191 K HA -0.044 4.275 4.320 -0.001 0.000 0.204 191 K C 2.193 178.968 176.600 0.291 0.000 1.052 191 K CA 0.694 57.081 56.287 0.166 0.000 0.945 191 K CB -0.522 32.005 32.500 0.046 0.000 0.722 191 K HN -0.024 nan 8.250 nan 0.000 0.443 192 V N 2.075 122.097 119.914 0.180 0.000 2.295 192 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 192 V C 2.303 178.500 176.094 0.172 0.000 1.049 192 V CA 1.373 63.780 62.300 0.178 0.000 1.024 192 V CB -0.384 31.507 31.823 0.114 0.000 0.648 192 V HN 0.102 nan 8.190 nan 0.000 0.447 193 I N 0.091 120.732 120.570 0.118 0.000 2.142 193 I HA -0.283 3.886 4.170 -0.001 0.000 0.240 193 I C 2.564 178.725 176.117 0.072 0.000 1.078 193 I CA 1.783 63.132 61.300 0.082 0.000 1.343 193 I CB -1.633 36.397 38.000 0.051 0.000 1.046 193 I HN 0.488 nan 8.210 nan 0.000 0.405 194 Q N 0.210 120.063 119.800 0.089 0.000 2.096 194 Q HA -0.306 4.033 4.340 -0.001 0.000 0.208 194 Q C 2.512 178.501 176.000 -0.018 0.000 0.993 194 Q CA 2.245 58.084 55.803 0.059 0.000 0.862 194 Q CB -0.512 28.300 28.738 0.123 0.000 0.915 194 Q HN 0.531 nan 8.270 nan 0.000 0.416 195 Y N 0.823 121.038 120.300 -0.141 0.000 2.114 195 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 195 Y C 2.016 177.786 175.900 -0.217 0.000 1.143 195 Y CA 1.887 59.793 58.100 -0.324 0.000 1.135 195 Y CB -0.297 37.956 38.460 -0.344 0.000 0.980 195 Y HN 0.114 nan 8.280 nan 0.000 0.499 196 L N -0.414 120.794 121.223 -0.025 0.000 2.012 196 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 196 L C 2.774 179.578 176.870 -0.111 0.000 1.073 196 L CA 1.279 56.083 54.840 -0.060 0.000 0.748 196 L CB -1.155 41.016 42.059 0.186 0.000 0.891 196 L HN 0.327 nan 8.230 nan 0.000 0.431 197 A N -0.965 121.813 122.820 -0.069 0.000 1.940 197 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 197 A C 2.549 180.067 177.584 -0.111 0.000 1.176 197 A CA 2.226 54.227 52.037 -0.060 0.000 0.631 197 A CB -0.591 18.384 19.000 -0.041 0.000 0.814 197 A HN 0.393 nan 8.150 nan 0.000 0.446 198 S N -0.646 114.928 115.700 -0.211 0.000 2.348 198 S HA -0.107 4.363 4.470 -0.001 0.000 0.219 198 S C 2.002 176.412 174.600 -0.317 0.000 1.033 198 S CA 1.669 59.719 58.200 -0.251 0.000 0.974 198 S CB -0.643 62.367 63.200 -0.318 0.000 0.868 198 S HN 1.000 nan 8.310 nan 0.000 0.459 199 V N -0.387 119.195 119.914 -0.553 0.000 3.141 199 V HA 0.436 4.556 4.120 -0.001 0.000 0.265 199 V C 1.391 177.246 176.094 -0.398 0.000 1.126 199 V CA 1.441 63.408 62.300 -0.556 0.000 1.141 199 V CB -0.416 30.876 31.823 -0.885 0.000 0.743 199 V HN 0.503 nan 8.190 nan 0.000 0.492 200 A N -0.031 122.645 122.820 -0.240 0.000 2.585 200 A HA 0.677 4.997 4.320 -0.001 0.000 0.266 200 A C 1.216 178.939 177.584 0.232 0.000 1.178 200 A CA 0.364 52.392 52.037 -0.015 0.000 0.966 200 A CB -0.375 18.721 19.000 0.161 0.000 1.170 200 A HN 0.766 nan 8.150 nan 0.000 0.558 201 G N -0.026 108.842 108.800 0.114 0.000 2.441 201 G HA2 0.391 4.350 3.960 -0.001 0.000 0.243 201 G HA3 0.391 4.350 3.960 -0.001 0.000 0.243 201 G C -0.070 174.932 174.900 0.170 0.000 1.281 201 G CA -0.439 44.729 45.100 0.113 0.000 0.854 201 G HN 0.386 nan 8.290 nan 0.000 0.560 202 R N 1.274 121.833 120.500 0.099 0.000 2.308 202 R HA 0.278 4.618 4.340 -0.001 0.000 0.325 202 R C 0.919 177.196 176.300 -0.038 0.000 1.161 202 R CA 0.100 56.185 56.100 -0.024 0.000 1.022 202 R CB -0.266 29.912 30.300 -0.202 0.000 1.091 202 R HN 0.732 nan 8.270 nan 0.000 0.497 203 N N 1.518 120.210 118.700 -0.013 0.000 2.529 203 N HA 0.548 5.287 4.740 -0.001 0.000 0.278 203 N C 0.060 175.549 175.510 -0.036 0.000 1.146 203 N CA 0.377 53.417 53.050 -0.016 0.000 0.980 203 N CB 1.199 39.688 38.487 0.004 0.000 1.124 203 N HN 0.733 nan 8.380 nan 0.000 0.458 210 V N 1.080 120.979 119.914 -0.025 0.000 2.237 210 V HA -0.126 3.994 4.120 -0.001 0.000 0.245 210 V C 2.600 178.675 176.094 -0.033 0.000 1.046 210 V CA 1.961 64.245 62.300 -0.027 0.000 1.007 210 V CB -0.737 31.067 31.823 -0.030 0.000 0.638 210 V HN 0.376 nan 8.190 nan 0.000 0.445 211 L N 0.750 121.951 121.223 -0.037 0.000 2.012 211 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 211 L C 2.342 179.187 176.870 -0.042 0.000 1.073 211 L CA 2.115 56.928 54.840 -0.045 0.000 0.748 211 L CB -0.820 41.212 42.059 -0.045 0.000 0.891 211 L HN 0.348 nan 8.230 nan 0.000 0.431 212 E N -0.484 119.697 120.200 -0.032 0.000 2.077 212 E HA -0.260 4.090 4.350 -0.001 0.000 0.193 212 E C 2.285 178.872 176.600 -0.022 0.000 0.989 212 E CA 1.631 58.014 56.400 -0.028 0.000 0.800 212 E CB -0.353 29.336 29.700 -0.020 0.000 0.746 212 E HN 0.642 nan 8.360 nan 0.000 0.452 213 Q N 0.103 119.893 119.800 -0.018 0.000 2.167 213 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 213 Q C 2.098 178.094 176.000 -0.007 0.000 0.970 213 Q CA 1.100 56.898 55.803 -0.009 0.000 0.855 213 Q CB 0.092 28.826 28.738 -0.007 0.000 0.911 213 Q HN 0.365 nan 8.270 nan 0.000 0.438 214 Q N -0.036 119.753 119.800 -0.019 0.000 2.079 214 Q HA -0.136 4.203 4.340 -0.001 0.000 0.200 214 Q C 2.024 178.012 176.000 -0.021 0.000 0.974 214 Q CA 1.102 56.892 55.803 -0.022 0.000 0.840 214 Q CB 0.020 28.731 28.738 -0.045 0.000 0.898 214 Q HN 0.442 nan 8.270 nan 0.000 0.430 215 I N 0.207 120.759 120.570 -0.030 0.000 2.264 215 I HA -0.282 3.887 4.170 -0.001 0.000 0.248 215 I C 1.880 177.992 176.117 -0.008 0.000 1.111 215 I CA 0.700 61.981 61.300 -0.031 0.000 1.382 215 I CB -0.127 37.847 38.000 -0.043 0.000 1.060 215 I HN 0.236 nan 8.210 nan 0.000 0.418 216 L N 0.074 121.297 121.223 -0.000 0.000 2.027 216 L HA -0.187 4.152 4.340 -0.001 0.000 0.206 216 L C 2.487 179.375 176.870 0.030 0.000 1.074 216 L CA 1.759 56.609 54.840 0.017 0.000 0.745 216 L CB -1.126 40.942 42.059 0.015 0.000 0.898 216 L HN 0.223 nan 8.230 nan 0.000 0.433 217 Q N -0.710 119.106 119.800 0.027 0.000 2.364 217 Q HA -0.056 4.284 4.340 -0.001 0.000 0.209 217 Q C 2.261 178.294 176.000 0.054 0.000 0.977 217 Q CA 1.168 56.995 55.803 0.042 0.000 0.885 217 Q CB -0.548 28.211 28.738 0.036 0.000 0.941 217 Q HN 0.523 nan 8.270 nan 0.000 0.464 218 A N 0.703 123.548 122.820 0.041 0.000 1.972 218 A HA -0.251 4.068 4.320 -0.001 0.000 0.219 218 A C 2.002 179.628 177.584 0.070 0.000 1.169 218 A CA 1.657 53.718 52.037 0.040 0.000 0.635 218 A CB -0.698 18.308 19.000 0.010 0.000 0.810 218 A HN 0.443 nan 8.150 nan 0.000 0.446 219 N N -0.025 118.726 118.700 0.085 0.000 2.018 219 N HA -0.133 4.606 4.740 -0.001 0.000 0.196 219 N C -1.075 174.529 175.510 0.158 0.000 1.043 219 N CA 2.357 55.481 53.050 0.123 0.000 0.856 219 N CB -0.503 38.046 38.487 0.103 0.000 1.042 219 N HN 0.304 nan 8.380 nan 0.000 0.423 220 P HA -0.046 nan 4.420 nan 0.000 0.221 220 P C 1.093 178.506 177.300 0.189 0.000 1.150 220 P CA 1.026 64.217 63.100 0.151 0.000 0.800 220 P CB 0.039 31.805 31.700 0.111 0.000 0.787 221 I N -0.846 119.823 120.570 0.165 0.000 2.133 221 I HA -0.202 3.968 4.170 -0.001 0.000 0.238 221 I C 2.518 178.805 176.117 0.283 0.000 1.074 221 I CA 1.250 62.671 61.300 0.201 0.000 1.342 221 I CB -0.762 37.267 38.000 0.049 0.000 1.053 221 I HN -0.164 nan 8.210 nan 0.000 0.404 222 L N 0.289 121.614 121.223 0.171 0.000 2.042 222 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 222 L C 2.473 179.608 176.870 0.441 0.000 1.076 222 L CA 1.628 56.591 54.840 0.205 0.000 0.749 222 L CB -0.653 41.549 42.059 0.238 0.000 0.893 222 L HN 0.338 nan 8.230 nan 0.000 0.432 223 E N -0.175 120.275 120.200 0.416 0.000 2.208 223 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 223 E C 2.248 179.123 176.600 0.459 0.000 0.988 223 E CA 0.864 57.545 56.400 0.467 0.000 0.828 223 E CB 0.010 29.927 29.700 0.361 0.000 0.763 223 E HN 0.472 nan 8.360 nan 0.000 0.478 224 A N 0.316 123.349 122.820 0.355 0.000 1.969 224 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 224 A C 1.623 179.280 177.584 0.121 0.000 1.169 224 A CA 1.012 53.188 52.037 0.231 0.000 0.635 224 A CB -0.387 18.623 19.000 0.017 0.000 0.810 224 A HN 0.163 nan 8.150 nan 0.000 0.445 225 F N -1.052 119.050 119.950 0.253 0.000 2.619 225 F HA 0.239 4.766 4.527 -0.001 0.000 0.293 225 F C 2.216 178.089 175.800 0.121 0.000 1.119 225 F CA 0.757 58.879 58.000 0.204 0.000 1.445 225 F CB 0.152 39.213 39.000 0.101 0.000 1.119 225 F HN 0.276 nan 8.300 nan 0.000 0.573 226 G N -1.115 107.950 108.800 0.442 0.000 3.228 226 G HA2 0.128 4.088 3.960 -0.001 0.000 0.245 226 G HA3 0.128 4.088 3.960 -0.001 0.000 0.245 226 G C -0.156 175.148 174.900 0.673 0.000 1.051 226 G CA -0.105 45.160 45.100 0.275 0.000 0.809 226 G HN 0.076 nan 8.290 nan 0.000 0.531 227 N N 0.126 119.143 118.700 0.528 0.000 2.335 227 N HA 0.802 5.542 4.740 -0.001 0.000 0.304 227 N C -0.475 174.858 175.510 -0.296 0.000 1.135 227 N CA -0.077 53.118 53.050 0.242 0.000 0.817 227 N CB 2.239 40.920 38.487 0.323 0.000 1.294 227 N HN 0.220 nan 8.380 nan 0.000 0.497 228 A N 0.123 122.734 122.820 -0.350 0.000 2.610 228 A HA 0.491 4.811 4.320 -0.001 0.000 0.291 228 A C -1.311 176.181 177.584 -0.153 0.000 1.086 228 A CA -0.787 50.961 52.037 -0.482 0.000 0.677 228 A CB 1.105 19.805 19.000 -0.501 0.000 1.278 228 A HN 0.536 nan 8.150 nan 0.000 0.414 229 K N 1.241 121.589 120.400 -0.086 0.000 2.312 229 K HA 0.457 4.777 4.320 -0.001 0.000 0.287 229 K C 0.158 176.702 176.600 -0.093 0.000 1.062 229 K CA 0.517 56.788 56.287 -0.026 0.000 0.934 229 K CB 0.366 32.841 32.500 -0.042 0.000 1.027 229 K HN 0.909 nan 8.250 nan 0.000 0.478 230 T N -0.191 114.338 114.554 -0.042 0.000 2.938 230 T HA 0.131 4.481 4.350 -0.001 0.000 0.285 230 T C 1.382 176.076 174.700 -0.009 0.000 1.028 230 T CA -0.302 61.764 62.100 -0.057 0.000 1.005 230 T CB 1.312 70.204 68.868 0.041 0.000 1.157 230 T HN 0.618 nan 8.240 nan 0.000 0.550 231 T N -1.346 113.209 114.554 0.002 0.000 3.051 231 T HA 0.006 4.356 4.350 -0.001 0.000 0.269 231 T C 1.526 176.288 174.700 0.103 0.000 1.127 231 T CA 0.523 62.650 62.100 0.045 0.000 1.107 231 T CB -0.316 68.593 68.868 0.068 0.000 0.898 231 T HN 0.682 nan 8.240 nan 0.000 0.517 232 R N 0.394 120.992 120.500 0.164 0.000 2.335 232 R HA 0.343 4.683 4.340 -0.001 0.000 0.210 232 R C -0.043 176.324 176.300 0.112 0.000 0.892 232 R CA -0.058 56.118 56.100 0.125 0.000 1.048 232 R CB 0.368 30.746 30.300 0.131 0.000 1.067 232 R HN 0.260 nan 8.270 nan 0.000 0.524 233 N N -0.134 118.631 118.700 0.108 0.000 2.648 233 N HA 0.089 4.829 4.740 -0.001 0.000 0.272 233 N C -0.947 174.621 175.510 0.097 0.000 1.118 233 N CA -0.316 52.806 53.050 0.119 0.000 0.973 233 N CB 0.930 39.498 38.487 0.134 0.000 1.565 233 N HN -0.100 nan 8.380 nan 0.000 0.542 234 N N 1.557 120.313 118.700 0.093 0.000 2.453 234 N HA -0.097 4.643 4.740 -0.001 0.000 0.183 234 N C -0.174 175.434 175.510 0.163 0.000 1.041 234 N CA 0.498 53.599 53.050 0.086 0.000 0.900 234 N CB 0.097 38.617 38.487 0.055 0.000 0.961 234 N HN 0.375 nan 8.380 nan 0.000 0.443 235 N N 0.173 118.981 118.700 0.179 0.000 2.610 235 N HA 0.059 4.799 4.740 -0.001 0.000 0.307 235 N C -1.388 174.242 175.510 0.200 0.000 1.813 235 N CA -0.153 53.055 53.050 0.263 0.000 0.901 235 N CB 0.435 39.047 38.487 0.208 0.000 1.354 235 N HN -0.169 nan 8.380 nan 0.000 0.491 236 S N -0.105 115.679 115.700 0.141 0.000 2.533 236 S HA 0.177 4.647 4.470 -0.001 0.000 0.282 236 S C 0.025 174.692 174.600 0.112 0.000 1.304 236 S CA -0.111 58.152 58.200 0.105 0.000 1.063 236 S CB 0.098 63.347 63.200 0.083 0.000 0.881 236 S HN 0.348 nan 8.310 nan 0.000 0.493 237 S N 5.049 120.798 115.700 0.081 0.000 2.455 237 S HA 0.225 4.695 4.470 -0.001 0.000 0.278 237 S C 0.772 175.421 174.600 0.081 0.000 1.216 237 S CA -0.657 57.568 58.200 0.041 0.000 1.055 237 S CB 0.363 63.477 63.200 -0.143 0.000 0.939 237 S HN 0.566 nan 8.310 nan 0.000 0.494 238 R N 2.317 122.971 120.500 0.256 0.000 2.426 238 R HA 0.250 4.590 4.340 -0.001 0.000 0.263 238 R C -0.415 176.070 176.300 0.309 0.000 0.961 238 R CA -0.025 56.232 56.100 0.263 0.000 1.086 238 R CB -0.959 29.523 30.300 0.303 0.000 1.186 238 R HN 0.646 nan 8.270 nan 0.000 0.537 239 F N -3.607 116.381 119.950 0.063 0.000 2.693 239 F HA 0.749 5.276 4.527 -0.000 0.000 0.309 239 F C -0.300 175.585 175.800 0.143 0.000 1.129 239 F CA -1.936 56.093 58.000 0.049 0.000 0.948 239 F CB 0.668 39.644 39.000 -0.039 0.000 1.315 239 F HN -0.107 nan 8.300 nan 0.000 0.447 240 G N 1.179 110.058 108.800 0.133 0.000 2.434 240 G HA2 0.652 4.611 3.960 -0.001 0.000 0.330 240 G HA3 0.652 4.611 3.960 -0.001 0.000 0.330 240 G C -1.790 173.324 174.900 0.356 0.000 1.155 240 G CA -1.060 44.105 45.100 0.110 0.000 0.917 240 G HN 1.029 nan 8.290 nan 0.000 0.493 241 K N -0.410 120.158 120.400 0.280 0.000 2.502 241 K HA 0.634 4.953 4.320 -0.001 0.000 0.257 241 K C -2.257 174.598 176.600 0.425 0.000 0.938 241 K CA -0.975 55.547 56.287 0.391 0.000 0.819 241 K CB 2.456 35.161 32.500 0.342 0.000 1.333 241 K HN 0.327 nan 8.250 nan 0.000 0.434 242 F N 3.538 123.647 119.950 0.266 0.000 2.496 242 F HA 0.487 5.013 4.527 -0.001 0.000 0.341 242 F C -1.448 174.421 175.800 0.116 0.000 1.134 242 F CA -1.170 56.949 58.000 0.198 0.000 0.968 242 F CB 0.889 40.039 39.000 0.250 0.000 1.205 242 F HN 0.482 nan 8.300 nan 0.000 0.436 243 I N 5.127 125.472 120.570 -0.375 0.000 2.336 243 I HA 0.305 4.474 4.170 -0.001 0.000 0.292 243 I C -0.334 175.456 176.117 -0.546 0.000 0.991 243 I CA -0.388 60.717 61.300 -0.325 0.000 1.227 243 I CB 1.503 39.421 38.000 -0.137 0.000 1.366 243 I HN 0.511 nan 8.210 nan 0.000 0.466 244 E N 6.222 126.182 120.200 -0.400 0.000 2.109 244 E HA 0.404 4.754 4.350 -0.001 0.000 0.278 244 E C -0.915 175.592 176.600 -0.154 0.000 0.954 244 E CA -0.680 55.530 56.400 -0.317 0.000 0.779 244 E CB 1.180 30.676 29.700 -0.340 0.000 1.093 244 E HN 0.360 nan 8.360 nan 0.000 0.401 245 I N 4.188 124.723 120.570 -0.058 0.000 2.315 245 I HA 0.142 4.312 4.170 -0.001 0.000 0.291 245 I C 0.100 176.072 176.117 -0.241 0.000 1.006 245 I CA -0.367 60.833 61.300 -0.167 0.000 1.265 245 I CB 1.102 39.039 38.000 -0.105 0.000 1.387 245 I HN 0.476 nan 8.210 nan 0.000 0.475 246 Q N 5.879 125.457 119.800 -0.371 0.000 2.245 246 Q HA 0.707 5.047 4.340 -0.001 0.000 0.256 246 Q C -1.440 174.260 176.000 -0.500 0.000 0.942 246 Q CA -0.432 55.229 55.803 -0.236 0.000 0.896 246 Q CB 2.215 30.921 28.738 -0.052 0.000 1.272 246 Q HN 0.369 nan 8.270 nan 0.000 0.442 247 F N 0.576 120.649 119.950 0.206 0.000 2.588 247 F HA 0.344 4.871 4.527 -0.001 0.000 0.314 247 F C 0.201 176.121 175.800 0.199 0.000 1.069 247 F CA -1.221 56.907 58.000 0.212 0.000 0.931 247 F CB 1.289 40.434 39.000 0.241 0.000 1.260 247 F HN 0.603 nan 8.300 nan 0.000 0.465 248 N N -0.095 118.836 118.700 0.385 0.000 2.366 248 N HA 0.140 4.880 4.740 -0.001 0.000 0.277 248 N C 0.601 176.281 175.510 0.283 0.000 1.275 248 N CA -0.210 52.991 53.050 0.251 0.000 0.964 248 N CB 0.026 38.645 38.487 0.219 0.000 1.167 248 N HN 0.684 nan 8.380 nan 0.000 0.568 249 N N -0.824 117.980 118.700 0.174 0.000 2.061 249 N HA -0.249 4.491 4.740 -0.001 0.000 0.193 249 N C 1.515 177.153 175.510 0.213 0.000 1.030 249 N CA 2.205 55.371 53.050 0.193 0.000 0.856 249 N CB -0.631 37.917 38.487 0.102 0.000 1.023 249 N HN 0.631 nan 8.380 nan 0.000 0.424 250 A N -0.857 122.082 122.820 0.198 0.000 1.948 250 A HA 0.145 4.465 4.320 -0.001 0.000 0.220 250 A C 1.969 179.530 177.584 -0.038 0.000 1.177 250 A CA 1.909 54.049 52.037 0.172 0.000 0.636 250 A CB -1.183 18.063 19.000 0.409 0.000 0.815 250 A HN 1.109 nan 8.150 nan 0.000 0.449 251 G N -3.788 105.018 108.800 0.010 0.000 2.175 251 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.182 251 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.182 251 G C -0.038 174.824 174.900 -0.064 0.000 1.003 251 G CA -0.087 44.925 45.100 -0.146 0.000 0.666 251 G HN 0.321 nan 8.290 nan 0.000 0.506 252 F N 0.705 120.842 119.950 0.312 0.000 2.377 252 F HA 0.630 5.157 4.527 -0.000 0.000 0.328 252 F C 1.336 177.367 175.800 0.385 0.000 1.094 252 F CA -1.044 57.142 58.000 0.310 0.000 1.093 252 F CB 0.831 39.926 39.000 0.158 0.000 1.214 252 F HN -0.076 nan 8.300 nan 0.000 0.518 253 I N 2.036 122.895 120.570 0.482 0.000 2.581 253 I HA -0.041 4.128 4.170 -0.001 0.000 0.285 253 I C 1.049 177.212 176.117 0.077 0.000 1.129 253 I CA 0.348 61.714 61.300 0.111 0.000 1.397 253 I CB 0.787 38.788 38.000 0.002 0.000 1.399 253 I HN 0.786 nan 8.210 nan 0.000 0.537 254 S N 4.248 119.949 115.700 0.002 0.000 2.483 254 S HA 0.367 4.836 4.470 -0.001 0.000 0.221 254 S C 0.683 175.253 174.600 -0.050 0.000 1.030 254 S CA 0.265 58.473 58.200 0.012 0.000 0.925 254 S CB 0.746 63.979 63.200 0.055 0.000 0.795 254 S HN 0.816 nan 8.310 nan 0.000 0.511 255 G N -0.020 108.713 108.800 -0.112 0.000 2.348 255 G HA2 0.627 4.586 3.960 -0.001 0.000 0.296 255 G HA3 0.627 4.586 3.960 -0.001 0.000 0.296 255 G C -1.718 173.091 174.900 -0.152 0.000 1.258 255 G CA -0.200 44.833 45.100 -0.111 0.000 0.868 255 G HN 1.100 nan 8.290 nan 0.000 0.488 256 A N -1.431 121.313 122.820 -0.128 0.000 2.601 256 A HA 0.969 5.289 4.320 -0.001 0.000 0.291 256 A C -0.779 176.732 177.584 -0.121 0.000 1.075 256 A CA 0.368 52.325 52.037 -0.134 0.000 0.671 256 A CB 1.346 20.270 19.000 -0.126 0.000 1.277 256 A HN 2.138 nan 8.150 nan 0.000 0.417 257 S N -0.207 115.416 115.700 -0.128 0.000 2.543 257 S HA 0.708 5.177 4.470 -0.001 0.000 0.271 257 S C -1.618 172.920 174.600 -0.103 0.000 1.148 257 S CA -0.395 57.736 58.200 -0.116 0.000 0.914 257 S CB 0.631 63.760 63.200 -0.118 0.000 1.096 257 S HN 0.732 nan 8.310 nan 0.000 0.471 258 I N 3.484 124.008 120.570 -0.077 0.000 2.433 258 I HA 0.478 4.648 4.170 -0.001 0.000 0.292 258 I C -0.457 175.647 176.117 -0.022 0.000 1.001 258 I CA -0.501 60.780 61.300 -0.031 0.000 1.119 258 I CB 2.031 40.026 38.000 -0.009 0.000 1.289 258 I HN 0.556 nan 8.210 nan 0.000 0.438 259 Q N 5.455 125.274 119.800 0.031 0.000 2.348 259 Q HA 0.506 4.845 4.340 -0.001 0.000 0.265 259 Q C -0.797 175.122 176.000 -0.135 0.000 0.998 259 Q CA -0.557 55.203 55.803 -0.073 0.000 0.831 259 Q CB 1.503 30.220 28.738 -0.036 0.000 1.251 259 Q HN 0.726 nan 8.270 nan 0.000 0.456 260 S N 3.052 118.660 115.700 -0.153 0.000 2.654 260 S HA 0.760 5.229 4.470 -0.001 0.000 0.283 260 S C -0.891 173.575 174.600 -0.224 0.000 1.180 260 S CA -0.486 57.747 58.200 0.055 0.000 1.021 260 S CB 0.790 64.189 63.200 0.331 0.000 1.018 260 S HN 0.523 nan 8.310 nan 0.000 0.532 261 Y N -0.216 120.289 120.300 0.342 0.000 2.524 261 Y HA 0.522 5.072 4.550 -0.000 0.000 0.347 261 Y C -0.087 175.902 175.900 0.148 0.000 1.005 261 Y CA -1.526 56.725 58.100 0.253 0.000 1.025 261 Y CB 1.363 40.005 38.460 0.304 0.000 1.275 261 Y HN 0.765 nan 8.280 nan 0.000 0.460 262 L N 2.350 123.670 121.223 0.162 0.000 3.965 262 L HA -0.225 4.114 4.340 -0.001 0.000 0.476 262 L C -0.793 176.080 176.870 0.005 0.000 1.201 262 L CA 0.256 55.050 54.840 -0.076 0.000 0.710 262 L CB -0.758 41.075 42.059 -0.378 0.000 1.509 262 L HN 0.543 nan 8.230 nan 0.000 0.815 263 L N 1.661 122.888 121.223 0.007 0.000 2.499 263 L HA 0.085 4.425 4.340 -0.001 0.000 0.273 263 L C 1.151 178.028 176.870 0.012 0.000 1.195 263 L CA 0.710 55.519 54.840 -0.051 0.000 0.882 263 L CB 0.616 42.505 42.059 -0.284 0.000 1.133 263 L HN 0.475 nan 8.230 nan 0.000 0.483 264 E N 4.309 124.570 120.200 0.102 0.000 1.842 264 E HA -0.018 4.332 4.350 -0.001 0.000 0.278 264 E C 0.567 177.266 176.600 0.166 0.000 1.171 264 E CA -0.024 56.443 56.400 0.112 0.000 1.127 264 E CB 0.192 29.963 29.700 0.118 0.000 1.100 264 E HN 0.693 nan 8.360 nan 0.000 0.456 265 K N 0.473 120.934 120.400 0.101 0.000 2.152 265 K HA -0.170 4.149 4.320 -0.001 0.000 0.206 265 K C 2.083 178.723 176.600 0.066 0.000 1.048 265 K CA 1.571 57.920 56.287 0.102 0.000 0.933 265 K CB -0.035 32.507 32.500 0.071 0.000 0.721 265 K HN 0.371 nan 8.250 nan 0.000 0.447 266 S N 1.225 116.958 115.700 0.055 0.000 2.442 266 S HA -0.187 4.283 4.470 -0.001 0.000 0.236 266 S C 1.971 176.578 174.600 0.012 0.000 1.007 266 S CA 1.022 59.245 58.200 0.037 0.000 0.965 266 S CB -0.243 62.995 63.200 0.064 0.000 0.773 266 S HN 0.285 nan 8.310 nan 0.000 0.504 267 R N 1.022 121.521 120.500 -0.002 0.000 2.152 267 R HA -0.016 4.323 4.340 -0.001 0.000 0.232 267 R C 1.758 177.920 176.300 -0.230 0.000 1.117 267 R CA 1.252 57.265 56.100 -0.145 0.000 0.981 267 R CB -0.559 29.538 30.300 -0.339 0.000 0.870 267 R HN 0.396 nan 8.270 nan 0.000 0.451 268 V N 0.596 120.400 119.914 -0.183 0.000 2.469 268 V HA -0.209 3.911 4.120 -0.001 0.000 0.251 268 V C 2.099 177.749 176.094 -0.740 0.000 1.064 268 V CA 1.802 63.851 62.300 -0.419 0.000 1.066 268 V CB 0.016 31.604 31.823 -0.392 0.000 0.667 268 V HN 0.500 nan 8.190 nan 0.000 0.461 269 V N -4.757 114.815 119.914 -0.571 0.000 3.661 269 V HA 0.435 4.555 4.120 -0.001 0.000 0.271 269 V C 0.164 176.177 176.094 -0.135 0.000 1.315 269 V CA 0.022 61.910 62.300 -0.687 0.000 1.072 269 V CB 0.278 31.870 31.823 -0.386 0.000 0.830 269 V HN 0.300 nan 8.190 nan 0.000 0.443 270 F N 1.201 121.015 119.950 -0.228 0.000 2.608 270 F HA 0.810 5.337 4.527 -0.001 0.000 0.309 270 F C -1.531 174.183 175.800 -0.144 0.000 1.103 270 F CA -0.709 57.218 58.000 -0.122 0.000 0.954 270 F CB 2.119 41.075 39.000 -0.072 0.000 1.267 270 F HN 0.076 nan 8.300 nan 0.000 0.444 271 Q N 2.948 121.933 119.800 -1.359 0.000 2.309 271 Q HA 0.482 4.821 4.340 -0.001 0.000 0.273 271 Q C -0.839 174.417 176.000 -1.241 0.000 1.040 271 Q CA -0.869 54.289 55.803 -1.075 0.000 0.834 271 Q CB 2.315 30.736 28.738 -0.528 0.000 1.345 271 Q HN 0.643 nan 8.270 nan 0.000 0.414 272 S N 1.049 116.224 115.700 -0.876 0.000 2.584 272 S HA 0.024 4.494 4.470 -0.001 0.000 0.270 272 S C -0.071 174.346 174.600 -0.305 0.000 1.346 272 S CA -0.489 57.434 58.200 -0.463 0.000 1.018 272 S CB 0.434 63.465 63.200 -0.282 0.000 0.899 272 S HN 0.601 nan 8.310 nan 0.000 0.542 273 E N 0.701 120.801 120.200 -0.168 0.000 2.529 273 E HA -0.040 4.310 4.350 -0.001 0.000 0.259 273 E C 0.930 177.455 176.600 -0.124 0.000 0.966 273 E CA 1.117 57.445 56.400 -0.120 0.000 0.937 273 E CB 0.144 29.807 29.700 -0.062 0.000 0.923 273 E HN 0.932 nan 8.360 nan 0.000 0.468 274 T N 0.347 114.833 114.554 -0.114 0.000 7.013 274 T HA -0.259 4.090 4.350 -0.001 0.000 0.288 274 T C 0.030 174.652 174.700 -0.131 0.000 2.146 274 T CA 1.580 63.618 62.100 -0.104 0.000 3.498 274 T CB -1.544 67.276 68.868 -0.081 0.000 1.517 274 T HN 0.631 nan 8.240 nan 0.000 1.113 275 E N 0.852 120.946 120.200 -0.176 0.000 2.330 275 E HA 0.689 5.039 4.350 -0.001 0.000 0.256 275 E C 0.443 176.930 176.600 -0.188 0.000 1.146 275 E CA -1.068 55.216 56.400 -0.194 0.000 0.945 275 E CB 0.806 30.347 29.700 -0.264 0.000 1.182 275 E HN 0.412 nan 8.360 nan 0.000 0.480 276 R N 0.499 120.884 120.500 -0.191 0.000 2.892 276 R HA 0.309 4.648 4.340 -0.001 0.000 0.265 276 R C 0.050 176.277 176.300 -0.123 0.000 1.025 276 R CA -0.905 55.106 56.100 -0.148 0.000 0.982 276 R CB 1.108 31.245 30.300 -0.272 0.000 1.185 276 R HN 0.426 nan 8.270 nan 0.000 0.484 277 N N 0.246 119.002 118.700 0.094 0.000 2.366 277 N HA 0.061 4.801 4.740 -0.001 0.000 0.277 277 N C -0.682 174.859 175.510 0.052 0.000 1.275 277 N CA -0.017 52.993 53.050 -0.067 0.000 0.964 277 N CB 0.226 38.608 38.487 -0.175 0.000 1.167 277 N HN 0.239 nan 8.380 nan 0.000 0.568 278 Y N 1.230 121.661 120.300 0.219 0.000 2.702 278 Y HA -0.054 4.496 4.550 -0.000 0.000 0.336 278 Y C 2.001 178.074 175.900 0.287 0.000 1.235 278 Y CA 0.304 58.504 58.100 0.167 0.000 1.492 278 Y CB 0.237 38.817 38.460 0.201 0.000 1.308 278 Y HN 0.511 nan 8.280 nan 0.000 0.589 279 H N 1.927 121.233 119.070 0.393 0.000 2.353 279 H HA -0.209 4.347 4.556 -0.001 0.000 0.298 279 H C 2.263 177.709 175.328 0.197 0.000 1.103 279 H CA 2.052 58.286 56.048 0.310 0.000 1.293 279 H CB -0.316 29.550 29.762 0.174 0.000 1.372 279 H HN 0.775 nan 8.280 nan 0.000 0.501 280 I N 0.630 121.247 120.570 0.078 0.000 2.236 280 I HA -0.302 3.867 4.170 -0.001 0.000 0.249 280 I C 1.886 177.801 176.117 -0.336 0.000 1.102 280 I CA 1.127 62.255 61.300 -0.288 0.000 1.365 280 I CB -0.394 37.119 38.000 -0.811 0.000 1.051 280 I HN -0.059 nan 8.210 nan 0.000 0.420 281 F N -0.278 119.582 119.950 -0.149 0.000 2.134 281 F HA -0.245 4.282 4.527 -0.001 0.000 0.299 281 F C 2.160 177.685 175.800 -0.459 0.000 1.097 281 F CA 1.908 59.685 58.000 -0.371 0.000 1.264 281 F CB -1.152 37.505 39.000 -0.571 0.000 1.001 281 F HN 0.119 nan 8.300 nan 0.000 0.479 282 Y N -0.316 120.028 120.300 0.072 0.000 2.263 282 Y HA -0.170 4.380 4.550 -0.000 0.000 0.292 282 Y C 2.403 178.213 175.900 -0.150 0.000 1.130 282 Y CA 0.930 59.022 58.100 -0.014 0.000 1.179 282 Y CB -1.165 37.316 38.460 0.036 0.000 0.998 282 Y HN 0.110 nan 8.280 nan 0.000 0.532 283 Q N -0.188 119.563 119.800 -0.082 0.000 2.084 283 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 283 Q C 2.253 177.651 176.000 -1.002 0.000 0.978 283 Q CA 1.612 57.227 55.803 -0.313 0.000 0.844 283 Q CB -0.388 28.257 28.738 -0.156 0.000 0.898 283 Q HN 0.469 nan 8.270 nan 0.000 0.426 284 L N 0.680 121.248 121.223 -1.092 0.000 1.994 284 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 284 L C 1.972 178.415 176.870 -0.712 0.000 1.071 284 L CA 1.584 55.601 54.840 -1.372 0.000 0.745 284 L CB -0.386 41.214 42.059 -0.765 0.000 0.892 284 L HN 0.175 nan 8.230 nan 0.000 0.431 285 L N -0.523 120.466 121.223 -0.391 0.000 2.127 285 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 285 L C 2.581 179.372 176.870 -0.132 0.000 1.089 285 L CA 1.164 55.896 54.840 -0.179 0.000 0.757 285 L CB -1.020 41.000 42.059 -0.065 0.000 0.899 285 L HN 0.434 nan 8.230 nan 0.000 0.434 286 A N -0.100 122.621 122.820 -0.164 0.000 1.911 286 A HA 0.094 4.414 4.320 -0.001 0.000 0.212 286 A C 2.275 179.826 177.584 -0.055 0.000 1.189 286 A CA 1.136 53.128 52.037 -0.075 0.000 0.639 286 A CB -0.717 18.263 19.000 -0.034 0.000 0.839 286 A HN 0.380 nan 8.150 nan 0.000 0.449 287 G N -0.724 108.000 108.800 -0.127 0.000 2.939 287 G HA2 0.413 4.372 3.960 -0.001 0.000 0.210 287 G HA3 0.413 4.372 3.960 -0.001 0.000 0.210 287 G C 0.680 175.762 174.900 0.304 0.000 1.160 287 G CA 0.622 45.862 45.100 0.234 0.000 0.770 287 G HN 0.730 nan 8.290 nan 0.000 0.543 288 A N 0.408 123.247 122.820 0.032 0.000 2.445 288 A HA 0.547 4.866 4.320 -0.001 0.000 0.242 288 A C 0.785 178.413 177.584 0.074 0.000 1.075 288 A CA 0.053 52.150 52.037 0.099 0.000 0.777 288 A CB 0.180 19.165 19.000 -0.026 0.000 1.013 288 A HN 0.149 nan 8.150 nan 0.000 0.493 289 T N 1.271 115.871 114.554 0.077 0.000 2.813 289 T HA 0.360 4.710 4.350 -0.001 0.000 0.297 289 T C 1.717 176.437 174.700 0.034 0.000 1.036 289 T CA 0.359 62.488 62.100 0.049 0.000 1.044 289 T CB 1.075 69.971 68.868 0.047 0.000 0.993 289 T HN 0.915 nan 8.240 nan 0.000 0.535 290 A N 0.735 123.569 122.820 0.023 0.000 2.014 290 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 290 A C 2.195 179.785 177.584 0.009 0.000 1.163 290 A CA 1.552 53.598 52.037 0.014 0.000 0.652 290 A CB -0.581 18.425 19.000 0.010 0.000 0.808 290 A HN 0.974 nan 8.150 nan 0.000 0.449 291 E N 0.454 120.663 120.200 0.014 0.000 2.077 291 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 291 E C 1.665 178.275 176.600 0.016 0.000 0.989 291 E CA 1.517 57.923 56.400 0.011 0.000 0.800 291 E CB -0.277 29.433 29.700 0.016 0.000 0.746 291 E HN 0.726 nan 8.360 nan 0.000 0.452 292 E N 0.806 121.027 120.200 0.035 0.000 2.047 292 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 292 E C 2.225 178.849 176.600 0.040 0.000 0.987 292 E CA 1.132 57.564 56.400 0.053 0.000 0.799 292 E CB 0.013 29.760 29.700 0.079 0.000 0.752 292 E HN 0.201 nan 8.360 nan 0.000 0.449 293 K N 1.013 121.430 120.400 0.029 0.000 2.152 293 K HA -0.178 4.142 4.320 -0.001 0.000 0.206 293 K C 2.192 178.794 176.600 0.004 0.000 1.048 293 K CA 1.005 57.309 56.287 0.029 0.000 0.933 293 K CB -0.079 32.437 32.500 0.027 0.000 0.721 293 K HN 0.031 nan 8.250 nan 0.000 0.447 294 K N 1.473 121.854 120.400 -0.031 0.000 1.991 294 K HA -0.066 4.253 4.320 -0.001 0.000 0.207 294 K C 2.040 178.514 176.600 -0.210 0.000 1.045 294 K CA 1.635 57.860 56.287 -0.103 0.000 0.937 294 K CB -0.335 32.121 32.500 -0.073 0.000 0.720 294 K HN 0.006 nan 8.250 nan 0.000 0.438 295 A N 1.547 124.302 122.820 -0.108 0.000 2.019 295 A HA -0.027 4.293 4.320 -0.001 0.000 0.219 295 A C 2.229 179.804 177.584 -0.015 0.000 1.164 295 A CA 1.227 53.215 52.037 -0.082 0.000 0.644 295 A CB -0.394 18.608 19.000 0.004 0.000 0.805 295 A HN 0.388 nan 8.150 nan 0.000 0.449 296 L N -2.685 118.566 121.223 0.048 0.000 2.607 296 L HA 0.160 4.500 4.340 -0.001 0.000 0.228 296 L C 0.230 177.345 176.870 0.409 0.000 1.123 296 L CA -0.042 54.923 54.840 0.208 0.000 0.890 296 L CB -0.362 41.791 42.059 0.157 0.000 1.103 296 L HN 0.578 nan 8.230 nan 0.000 0.468 297 H N -1.005 118.165 119.070 0.168 0.000 2.791 297 H HA -0.140 4.416 4.556 -0.001 0.000 0.302 297 H C -0.183 175.339 175.328 0.322 0.000 1.198 297 H CA 0.247 56.418 56.048 0.204 0.000 1.145 297 H CB -2.183 27.663 29.762 0.140 0.000 1.385 297 H HN 0.214 nan 8.280 nan 0.000 0.409 298 L N -0.747 120.652 121.223 0.293 0.000 2.421 298 L HA 0.724 5.063 4.340 -0.001 0.000 0.263 298 L C 1.065 178.064 176.870 0.214 0.000 1.122 298 L CA -0.002 55.023 54.840 0.309 0.000 0.804 298 L CB 1.305 43.463 42.059 0.165 0.000 1.150 298 L HN 0.348 nan 8.230 nan 0.000 0.457 299 A N 0.394 123.356 122.820 0.237 0.000 2.973 299 A HA 0.850 5.169 4.320 -0.001 0.000 0.267 299 A C -0.211 177.454 177.584 0.134 0.000 1.210 299 A CA -0.034 52.050 52.037 0.078 0.000 0.749 299 A CB 0.326 19.266 19.000 -0.100 0.000 1.373 299 A HN 0.687 nan 8.150 nan 0.000 0.585 300 G N -0.988 107.840 108.800 0.048 0.000 2.504 300 G HA2 0.498 4.458 3.960 -0.001 0.000 0.288 300 G HA3 0.498 4.458 3.960 -0.001 0.000 0.288 300 G C -1.574 173.421 174.900 0.158 0.000 1.182 300 G CA -0.920 44.234 45.100 0.090 0.000 0.894 300 G HN 0.354 nan 8.290 nan 0.000 0.521 301 P HA -0.163 nan 4.420 nan 0.000 0.218 301 P C 1.425 178.823 177.300 0.164 0.000 1.146 301 P CA 1.267 64.507 63.100 0.233 0.000 0.813 301 P CB 0.194 32.013 31.700 0.198 0.000 0.778 302 E N -0.119 120.124 120.200 0.071 0.000 2.338 302 E HA -0.067 4.282 4.350 -0.001 0.000 0.197 302 E C 1.385 177.941 176.600 -0.074 0.000 1.007 302 E CA 0.818 57.225 56.400 0.012 0.000 0.849 302 E CB -1.212 28.486 29.700 -0.005 0.000 0.774 302 E HN 0.172 nan 8.360 nan 0.000 0.506 303 S N -0.141 115.442 115.700 -0.195 0.000 2.603 303 S HA 0.162 4.631 4.470 -0.001 0.000 0.220 303 S C -0.476 173.710 174.600 -0.690 0.000 0.967 303 S CA -0.047 57.868 58.200 -0.475 0.000 0.920 303 S CB -0.212 62.580 63.200 -0.678 0.000 0.773 303 S HN 0.130 nan 8.310 nan 0.000 0.529 304 F N 1.334 121.239 119.950 -0.075 0.000 2.518 304 F HA 0.453 4.980 4.527 -0.001 0.000 0.323 304 F C 0.874 176.611 175.800 -0.104 0.000 1.129 304 F CA -1.404 56.527 58.000 -0.116 0.000 0.920 304 F CB 1.023 39.935 39.000 -0.147 0.000 1.160 304 F HN -0.203 nan 8.300 nan 0.000 0.440 305 N N 1.143 119.868 118.700 0.042 0.000 2.205 305 N HA -0.219 4.521 4.740 -0.001 0.000 0.186 305 N C 1.401 176.976 175.510 0.109 0.000 1.015 305 N CA 1.385 54.442 53.050 0.013 0.000 0.862 305 N CB -0.226 38.223 38.487 -0.063 0.000 0.986 305 N HN 0.522 nan 8.380 nan 0.000 0.429 306 Y N 0.323 120.604 120.300 -0.032 0.000 2.616 306 Y HA 0.151 4.700 4.550 -0.001 0.000 0.296 306 Y C 1.745 177.510 175.900 -0.224 0.000 1.154 306 Y CA 0.200 58.200 58.100 -0.166 0.000 1.325 306 Y CB -0.130 38.145 38.460 -0.308 0.000 1.007 306 Y HN 0.033 nan 8.280 nan 0.000 0.542 307 L N -0.562 120.676 121.223 0.025 0.000 3.086 307 L HA 0.145 4.485 4.340 -0.001 0.000 0.274 307 L C 0.741 177.659 176.870 0.081 0.000 1.184 307 L CA 0.183 55.024 54.840 0.003 0.000 1.002 307 L CB 0.189 42.212 42.059 -0.060 0.000 1.383 307 L HN 0.053 nan 8.230 nan 0.000 0.582 308 N N -1.591 117.147 118.700 0.064 0.000 2.282 308 N HA 0.021 4.760 4.740 -0.001 0.000 0.240 308 N C 1.019 176.542 175.510 0.022 0.000 1.182 308 N CA -0.056 53.022 53.050 0.047 0.000 0.874 308 N CB 0.411 38.921 38.487 0.038 0.000 1.126 308 N HN 0.028 nan 8.380 nan 0.000 0.516 309 Q N -0.271 119.534 119.800 0.007 0.000 2.402 309 Q HA 0.144 4.484 4.340 -0.001 0.000 0.231 309 Q C 1.495 177.465 176.000 -0.049 0.000 0.888 309 Q CA 0.990 56.788 55.803 -0.009 0.000 0.938 309 Q CB 0.178 28.917 28.738 0.002 0.000 1.086 309 Q HN 0.550 nan 8.270 nan 0.000 0.543 310 S N -0.722 114.926 115.700 -0.086 0.000 2.453 310 S HA 0.102 4.571 4.470 -0.001 0.000 0.231 310 S C 1.536 176.089 174.600 -0.078 0.000 1.005 310 S CA 0.975 59.103 58.200 -0.120 0.000 0.949 310 S CB 0.049 63.155 63.200 -0.156 0.000 0.774 310 S HN 0.436 nan 8.310 nan 0.000 0.510 311 G N -0.078 108.694 108.800 -0.048 0.000 2.176 311 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.232 311 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.232 311 G C 0.060 174.936 174.900 -0.040 0.000 0.986 311 G CA -0.117 44.962 45.100 -0.036 0.000 0.643 311 G HN 1.051 nan 8.290 nan 0.000 0.522 312 C N 1.137 120.405 119.300 -0.053 0.000 2.364 312 C HA 0.724 5.183 4.460 -0.001 0.000 0.324 312 C C 1.597 176.533 174.990 -0.091 0.000 1.234 312 C CA 0.190 59.162 59.018 -0.077 0.000 1.417 312 C CB 0.847 28.522 27.740 -0.109 0.000 2.101 312 C HN 1.236 nan 8.230 nan 0.000 0.466 313 V N 1.603 121.467 119.914 -0.083 0.000 3.556 313 V HA 0.395 4.515 4.120 -0.001 0.000 0.287 313 V C -0.046 175.903 176.094 -0.242 0.000 1.422 313 V CA 0.595 62.836 62.300 -0.098 0.000 1.038 313 V CB -0.172 31.717 31.823 0.110 0.000 0.850 313 V HN 0.858 nan 8.190 nan 0.000 0.437 314 D N -0.214 120.077 120.400 -0.181 0.000 2.552 314 D HA 0.656 5.296 4.640 -0.001 0.000 0.239 314 D C -0.906 175.308 176.300 -0.143 0.000 1.139 314 D CA -0.689 53.215 54.000 -0.160 0.000 0.914 314 D CB 1.959 42.712 40.800 -0.077 0.000 1.461 314 D HN 0.153 nan 8.370 nan 0.000 0.462 315 I N 0.369 120.867 120.570 -0.119 0.000 2.389 315 I HA 0.225 4.395 4.170 -0.001 0.000 0.288 315 I C 0.279 176.358 176.117 -0.062 0.000 0.999 315 I CA -1.142 60.105 61.300 -0.088 0.000 1.129 315 I CB 1.650 39.599 38.000 -0.085 0.000 1.288 315 I HN 0.214 nan 8.210 nan 0.000 0.444 316 K N 4.383 124.753 120.400 -0.050 0.000 2.530 316 K HA -0.000 4.319 4.320 -0.001 0.000 0.280 316 K C 1.077 177.659 176.600 -0.030 0.000 1.004 316 K CA 1.401 57.666 56.287 -0.037 0.000 1.071 316 K CB 0.298 32.778 32.500 -0.034 0.000 0.876 316 K HN 1.016 nan 8.250 nan 0.000 0.487 317 G N 1.807 110.592 108.800 -0.024 0.000 2.159 317 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.256 317 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.256 317 G C -0.232 174.655 174.900 -0.022 0.000 0.977 317 G CA 0.177 45.267 45.100 -0.017 0.000 0.652 317 G HN 0.483 nan 8.290 nan 0.000 0.531 318 V N 0.333 120.227 119.914 -0.035 0.000 2.604 318 V HA 0.757 4.876 4.120 -0.001 0.000 0.305 318 V C 0.151 176.224 176.094 -0.036 0.000 1.043 318 V CA -0.025 62.248 62.300 -0.045 0.000 0.888 318 V CB 1.996 33.770 31.823 -0.082 0.000 0.995 318 V HN 0.501 nan 8.190 nan 0.000 0.429 319 S N 2.630 118.316 115.700 -0.023 0.000 2.474 319 S HA 0.230 4.699 4.470 -0.001 0.000 0.320 319 S C 0.795 175.398 174.600 0.004 0.000 1.067 319 S CA -0.685 57.512 58.200 -0.005 0.000 1.127 319 S CB 0.391 63.594 63.200 0.007 0.000 0.971 319 S HN 0.771 nan 8.310 nan 0.000 0.472 320 D N 3.315 123.719 120.400 0.006 0.000 2.149 320 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 320 D C 1.846 178.177 176.300 0.052 0.000 0.990 320 D CA 1.231 55.246 54.000 0.026 0.000 0.839 320 D CB 0.187 41.017 40.800 0.049 0.000 0.948 320 D HN 0.807 nan 8.370 nan 0.000 0.460 321 E N 1.167 121.397 120.200 0.049 0.000 2.110 321 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 321 E C 1.458 178.126 176.600 0.113 0.000 0.988 321 E CA 0.828 57.281 56.400 0.088 0.000 0.804 321 E CB -0.422 29.315 29.700 0.061 0.000 0.745 321 E HN 0.370 nan 8.360 nan 0.000 0.458 322 D N 0.794 121.235 120.400 0.068 0.000 2.162 322 D HA -0.079 4.560 4.640 -0.001 0.000 0.203 322 D C 1.746 178.086 176.300 0.066 0.000 0.967 322 D CA 0.576 54.610 54.000 0.056 0.000 0.840 322 D CB 0.253 41.072 40.800 0.032 0.000 0.972 322 D HN 0.150 nan 8.370 nan 0.000 0.482 323 E N 0.478 120.720 120.200 0.069 0.000 2.150 323 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 323 E C 1.918 178.605 176.600 0.146 0.000 0.985 323 E CA 0.189 56.634 56.400 0.075 0.000 0.814 323 E CB -0.396 29.328 29.700 0.040 0.000 0.752 323 E HN 0.276 nan 8.360 nan 0.000 0.466 324 F N 2.705 122.635 119.950 -0.035 0.000 2.126 324 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 324 F C 1.876 177.654 175.800 -0.037 0.000 1.096 324 F CA 1.459 59.421 58.000 -0.063 0.000 1.255 324 F CB -0.116 38.821 39.000 -0.104 0.000 0.997 324 F HN -0.056 nan 8.300 nan 0.000 0.479 325 K N -0.264 120.132 120.400 -0.007 0.000 2.097 325 K HA -0.137 4.183 4.320 -0.001 0.000 0.205 325 K C 2.055 178.616 176.600 -0.065 0.000 1.050 325 K CA 1.863 58.087 56.287 -0.104 0.000 0.938 325 K CB -0.436 32.038 32.500 -0.043 0.000 0.718 325 K HN 0.271 nan 8.250 nan 0.000 0.442 326 I N 1.710 122.279 120.570 -0.002 0.000 2.252 326 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 326 I C 2.264 178.395 176.117 0.024 0.000 1.102 326 I CA 1.399 62.709 61.300 0.016 0.000 1.385 326 I CB -0.481 37.541 38.000 0.037 0.000 1.064 326 I HN 0.141 nan 8.210 nan 0.000 0.414 327 T N 0.626 115.205 114.554 0.042 0.000 2.652 327 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 327 T C 2.035 176.758 174.700 0.039 0.000 1.039 327 T CA 1.322 63.471 62.100 0.082 0.000 1.153 327 T CB -0.265 68.700 68.868 0.161 0.000 0.863 327 T HN 0.290 nan 8.240 nan 0.000 0.428 328 R N 1.410 121.862 120.500 -0.081 0.000 2.091 328 R HA -0.128 4.212 4.340 -0.001 0.000 0.238 328 R C 2.685 178.974 176.300 -0.018 0.000 1.136 328 R CA 1.446 57.498 56.100 -0.081 0.000 0.959 328 R CB -0.473 29.668 30.300 -0.265 0.000 0.856 328 R HN 0.679 nan 8.270 nan 0.000 0.437 329 Q N 0.323 120.110 119.800 -0.021 0.000 2.224 329 Q HA 0.002 4.342 4.340 -0.001 0.000 0.203 329 Q C 2.037 178.057 176.000 0.034 0.000 0.970 329 Q CA 1.294 57.101 55.803 0.006 0.000 0.865 329 Q CB -0.198 28.541 28.738 0.002 0.000 0.922 329 Q HN 0.292 nan 8.270 nan 0.000 0.445 330 A N 1.613 124.459 122.820 0.045 0.000 1.898 330 A HA -0.099 4.221 4.320 -0.001 0.000 0.216 330 A C 2.199 179.844 177.584 0.101 0.000 1.181 330 A CA 1.217 53.293 52.037 0.066 0.000 0.620 330 A CB -0.475 18.570 19.000 0.073 0.000 0.819 330 A HN 0.288 nan 8.150 nan 0.000 0.442 331 M N -0.421 119.239 119.600 0.100 0.000 2.117 331 M HA -0.175 4.305 4.480 -0.001 0.000 0.262 331 M C 1.625 178.063 176.300 0.230 0.000 1.065 331 M CA 1.680 57.093 55.300 0.189 0.000 1.114 331 M CB -0.563 32.060 32.600 0.039 0.000 1.361 331 M HN 0.320 nan 8.290 nan 0.000 0.408 332 D N 0.780 121.252 120.400 0.121 0.000 2.103 332 D HA -0.161 4.478 4.640 -0.001 0.000 0.190 332 D C 1.839 178.176 176.300 0.062 0.000 0.997 332 D CA 1.569 55.619 54.000 0.083 0.000 0.833 332 D CB -0.402 40.425 40.800 0.045 0.000 0.961 332 D HN 0.321 nan 8.370 nan 0.000 0.447 333 I N 0.315 120.916 120.570 0.052 0.000 2.226 333 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 333 I C 2.485 178.613 176.117 0.018 0.000 1.100 333 I CA 0.566 61.882 61.300 0.027 0.000 1.374 333 I CB -0.135 37.879 38.000 0.023 0.000 1.057 333 I HN -0.115 nan 8.210 nan 0.000 0.413 334 V N 0.299 120.248 119.914 0.057 0.000 2.407 334 V HA -0.100 4.019 4.120 -0.001 0.000 0.248 334 V C 1.838 177.876 176.094 -0.093 0.000 1.055 334 V CA 1.899 64.204 62.300 0.008 0.000 1.049 334 V CB -0.739 31.149 31.823 0.107 0.000 0.662 334 V HN 0.746 nan 8.190 nan 0.000 0.455 335 G N -1.713 107.072 108.800 -0.024 0.000 2.227 335 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.168 335 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.168 335 G C -0.061 174.763 174.900 -0.127 0.000 1.006 335 G CA -0.471 44.562 45.100 -0.111 0.000 0.684 335 G HN 0.299 nan 8.290 nan 0.000 0.489 336 F N 3.246 123.158 119.950 -0.064 0.000 2.578 336 F HA 0.432 4.959 4.527 -0.000 0.000 0.381 336 F C 1.619 177.414 175.800 -0.009 0.000 1.069 336 F CA 0.518 58.490 58.000 -0.045 0.000 1.231 336 F CB 0.741 39.714 39.000 -0.046 0.000 1.086 336 F HN 0.263 nan 8.300 nan 0.000 0.564 337 S N 2.289 118.079 115.700 0.149 0.000 2.580 337 S HA -0.011 4.458 4.470 -0.001 0.000 0.266 337 S C 1.079 175.751 174.600 0.120 0.000 1.354 337 S CA -0.679 57.583 58.200 0.102 0.000 1.008 337 S CB 1.063 64.308 63.200 0.075 0.000 0.898 337 S HN 0.692 nan 8.310 nan 0.000 0.555 338 Q N 0.810 120.661 119.800 0.085 0.000 2.170 338 Q HA -0.082 4.257 4.340 -0.001 0.000 0.203 338 Q C 1.807 177.855 176.000 0.080 0.000 0.976 338 Q CA 2.150 58.003 55.803 0.082 0.000 0.858 338 Q CB -0.436 28.340 28.738 0.063 0.000 0.907 338 Q HN 0.904 nan 8.270 nan 0.000 0.433 339 E N -0.104 120.139 120.200 0.072 0.000 2.072 339 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 339 E C 1.844 178.480 176.600 0.060 0.000 0.982 339 E CA 1.279 57.715 56.400 0.060 0.000 0.803 339 E CB -0.088 29.643 29.700 0.051 0.000 0.755 339 E HN 0.449 nan 8.360 nan 0.000 0.453 340 E N 0.850 121.113 120.200 0.105 0.000 2.031 340 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 340 E C 2.190 178.821 176.600 0.053 0.000 0.994 340 E CA 1.271 57.769 56.400 0.163 0.000 0.800 340 E CB -0.154 29.770 29.700 0.373 0.000 0.752 340 E HN 0.334 nan 8.360 nan 0.000 0.447 341 Q N 0.019 119.839 119.800 0.033 0.000 2.112 341 Q HA -0.197 4.142 4.340 -0.001 0.000 0.206 341 Q C 2.241 178.071 176.000 -0.284 0.000 0.987 341 Q CA 1.185 56.883 55.803 -0.174 0.000 0.858 341 Q CB -0.189 28.559 28.738 0.017 0.000 0.905 341 Q HN 0.252 nan 8.270 nan 0.000 0.420 342 M N 0.467 120.059 119.600 -0.015 0.000 2.159 342 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 342 M C 2.058 178.356 176.300 -0.003 0.000 1.063 342 M CA 1.481 56.824 55.300 0.071 0.000 1.110 342 M CB -0.532 32.123 32.600 0.091 0.000 1.374 342 M HN 0.109 nan 8.290 nan 0.000 0.411 343 S N 0.620 116.288 115.700 -0.053 0.000 2.383 343 S HA -0.064 4.406 4.470 -0.001 0.000 0.227 343 S C 1.898 176.428 174.600 -0.117 0.000 1.026 343 S CA 0.954 59.117 58.200 -0.062 0.000 0.981 343 S CB -0.259 62.888 63.200 -0.089 0.000 0.818 343 S HN 0.444 nan 8.310 nan 0.000 0.472 344 I N 0.726 121.134 120.570 -0.269 0.000 2.163 344 I HA -0.220 3.950 4.170 -0.001 0.000 0.243 344 I C 1.762 177.710 176.117 -0.281 0.000 1.085 344 I CA 1.414 62.489 61.300 -0.375 0.000 1.347 344 I CB -0.377 37.268 38.000 -0.591 0.000 1.044 344 I HN 0.232 nan 8.210 nan 0.000 0.408 345 F N 0.807 120.830 119.950 0.122 0.000 2.325 345 F HA -0.083 4.444 4.527 -0.001 0.000 0.299 345 F C 2.346 178.184 175.800 0.062 0.000 1.090 345 F CA 0.893 58.959 58.000 0.110 0.000 1.392 345 F CB -0.882 38.205 39.000 0.144 0.000 1.053 345 F HN -0.102 nan 8.300 nan 0.000 0.521 346 K N 0.463 120.954 120.400 0.151 0.000 2.097 346 K HA -0.076 4.244 4.320 -0.001 0.000 0.205 346 K C 2.040 178.643 176.600 0.004 0.000 1.050 346 K CA 1.135 57.461 56.287 0.065 0.000 0.938 346 K CB -0.299 32.224 32.500 0.038 0.000 0.718 346 K HN 0.211 nan 8.250 nan 0.000 0.442 347 I N 0.934 121.573 120.570 0.115 0.000 2.179 347 I HA -0.286 3.884 4.170 -0.001 0.000 0.242 347 I C 1.939 178.229 176.117 0.287 0.000 1.088 347 I CA 0.869 62.344 61.300 0.291 0.000 1.357 347 I CB -0.241 37.920 38.000 0.269 0.000 1.051 347 I HN 0.119 nan 8.210 nan 0.000 0.409 348 I N 1.085 121.795 120.570 0.233 0.000 2.163 348 I HA -0.282 3.888 4.170 -0.001 0.000 0.243 348 I C 2.856 179.079 176.117 0.176 0.000 1.085 348 I CA 1.811 63.251 61.300 0.233 0.000 1.347 348 I CB -1.616 36.461 38.000 0.129 0.000 1.044 348 I HN 0.196 nan 8.210 nan 0.000 0.408 349 A N 1.021 123.882 122.820 0.068 0.000 1.902 349 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 349 A C 2.530 180.059 177.584 -0.090 0.000 1.181 349 A CA 1.856 53.856 52.037 -0.062 0.000 0.623 349 A CB -1.362 17.651 19.000 0.023 0.000 0.818 349 A HN 0.429 nan 8.150 nan 0.000 0.443 350 G N 0.026 108.709 108.800 -0.195 0.000 2.440 350 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 350 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 350 G C 1.527 176.548 174.900 0.202 0.000 1.154 350 G CA 1.129 45.960 45.100 -0.448 0.000 0.767 350 G HN 0.467 nan 8.290 nan 0.000 0.552 351 I N 0.413 121.223 120.570 0.401 0.000 2.151 351 I HA -0.221 3.949 4.170 -0.001 0.000 0.243 351 I C 2.782 179.080 176.117 0.302 0.000 1.080 351 I CA 0.899 62.486 61.300 0.478 0.000 1.339 351 I CB -0.185 38.147 38.000 0.553 0.000 1.039 351 I HN 0.158 nan 8.210 nan 0.000 0.409 352 L N -0.550 120.702 121.223 0.048 0.000 2.012 352 L HA -0.284 4.056 4.340 -0.001 0.000 0.210 352 L C 2.747 179.510 176.870 -0.178 0.000 1.073 352 L CA 1.388 56.042 54.840 -0.310 0.000 0.748 352 L CB -1.085 40.374 42.059 -1.000 0.000 0.891 352 L HN 0.372 nan 8.230 nan 0.000 0.431 353 H N -0.044 119.052 119.070 0.044 0.000 2.321 353 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 353 H C 2.432 177.786 175.328 0.043 0.000 1.087 353 H CA 1.373 57.481 56.048 0.101 0.000 1.319 353 H CB -0.367 29.430 29.762 0.057 0.000 1.379 353 H HN 0.283 nan 8.280 nan 0.000 0.501 354 L N -0.151 121.215 121.223 0.238 0.000 2.043 354 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 354 L C 2.725 179.582 176.870 -0.021 0.000 1.075 354 L CA 1.348 56.306 54.840 0.197 0.000 0.752 354 L CB -0.795 41.472 42.059 0.346 0.000 0.891 354 L HN 0.328 nan 8.230 nan 0.000 0.432 355 G N -0.847 107.769 108.800 -0.307 0.000 2.470 355 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.220 355 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.220 355 G C 1.299 175.888 174.900 -0.518 0.000 1.121 355 G CA 0.512 44.974 45.100 -1.062 0.000 0.766 355 G HN 0.325 nan 8.290 nan 0.000 0.553 356 N N 0.101 118.669 118.700 -0.219 0.000 2.412 356 N HA 0.114 4.853 4.740 -0.001 0.000 0.184 356 N C 0.746 176.178 175.510 -0.131 0.000 1.101 356 N CA -0.155 52.829 53.050 -0.111 0.000 0.881 356 N CB 0.167 38.669 38.487 0.026 0.000 0.969 356 N HN 0.287 nan 8.380 nan 0.000 0.459 357 I N 1.314 121.786 120.570 -0.164 0.000 2.668 357 I HA -0.080 4.090 4.170 -0.001 0.000 0.285 357 I C 0.955 176.829 176.117 -0.406 0.000 1.168 357 I CA 0.450 61.568 61.300 -0.303 0.000 1.424 357 I CB 0.399 38.167 38.000 -0.387 0.000 1.377 357 I HN -0.201 nan 8.210 nan 0.000 0.560 358 K N 7.889 128.052 120.400 -0.394 0.000 2.404 358 K HA 0.351 4.671 4.320 -0.001 0.000 0.257 358 K C -1.147 175.270 176.600 -0.305 0.000 1.026 358 K CA -0.607 55.513 56.287 -0.277 0.000 0.951 358 K CB 0.569 32.995 32.500 -0.123 0.000 1.203 358 K HN 0.232 nan 8.250 nan 0.000 0.446 359 F N 2.319 122.282 119.950 0.022 0.000 2.443 359 F HA 0.226 4.753 4.527 -0.001 0.000 0.353 359 F C 0.730 176.538 175.800 0.014 0.000 1.101 359 F CA -0.046 57.968 58.000 0.024 0.000 1.226 359 F CB 0.908 39.926 39.000 0.030 0.000 1.140 359 F HN 0.454 nan 8.300 nan 0.000 0.557 360 E N 1.087 121.408 120.200 0.202 0.000 2.312 360 E HA 0.283 4.632 4.350 -0.001 0.000 0.267 360 E C -0.960 175.692 176.600 0.087 0.000 0.894 360 E CA -1.256 55.210 56.400 0.110 0.000 0.773 360 E CB 1.910 31.647 29.700 0.061 0.000 1.241 360 E HN 0.396 nan 8.360 nan 0.000 0.432 361 K N 0.779 121.207 120.400 0.047 0.000 2.401 361 K HA 0.246 4.565 4.320 -0.001 0.000 0.278 361 K C 0.081 176.688 176.600 0.011 0.000 1.018 361 K CA 0.103 56.397 56.287 0.013 0.000 0.981 361 K CB 0.560 33.061 32.500 0.001 0.000 0.933 361 K HN 0.618 nan 8.250 nan 0.000 0.477 362 G N 1.998 110.791 108.800 -0.012 0.000 3.134 362 G HA2 0.342 4.302 3.960 -0.001 0.000 0.158 362 G HA3 0.342 4.302 3.960 -0.001 0.000 0.158 362 G C 0.745 175.641 174.900 -0.006 0.000 1.334 362 G CA 0.223 45.326 45.100 0.005 0.000 1.001 362 G HN 0.720 nan 8.290 nan 0.000 0.600 363 A N -0.748 122.075 122.820 0.004 0.000 1.873 363 A HA 0.080 4.400 4.320 -0.001 0.000 0.219 363 A C 2.048 179.625 177.584 -0.010 0.000 1.269 363 A CA 3.231 55.272 52.037 0.006 0.000 0.671 363 A CB -1.261 17.753 19.000 0.023 0.000 0.842 363 A HN 1.323 nan 8.150 nan 0.000 0.460 364 G N -3.898 104.883 108.800 -0.032 0.000 2.667 364 G HA2 0.424 4.384 3.960 -0.001 0.000 0.209 364 G HA3 0.424 4.384 3.960 -0.001 0.000 0.209 364 G C 1.219 176.083 174.900 -0.060 0.000 1.963 364 G CA 1.402 46.480 45.100 -0.036 0.000 0.728 364 G HN 0.660 nan 8.290 nan 0.000 0.807 365 E N 0.228 120.376 120.200 -0.086 0.000 2.045 365 E HA 0.343 4.693 4.350 -0.001 0.000 0.190 365 E C 1.696 178.185 176.600 -0.185 0.000 0.968 365 E CA 0.520 56.857 56.400 -0.104 0.000 0.813 365 E CB -1.305 28.347 29.700 -0.081 0.000 0.780 365 E HN 0.867 nan 8.360 nan 0.000 0.455 366 G N 0.476 109.069 108.800 -0.344 0.000 2.368 366 G HA2 0.414 4.374 3.960 -0.001 0.000 0.233 366 G HA3 0.414 4.374 3.960 -0.001 0.000 0.233 366 G C 0.465 175.086 174.900 -0.464 0.000 1.267 366 G CA 0.270 44.939 45.100 -0.719 0.000 0.873 366 G HN 0.937 nan 8.290 nan 0.000 0.539 367 A N 0.963 123.609 122.820 -0.290 0.000 2.304 367 A HA 0.710 5.029 4.320 -0.001 0.000 0.271 367 A C 0.471 178.118 177.584 0.105 0.000 1.091 367 A CA 0.196 52.209 52.037 -0.041 0.000 0.812 367 A CB 0.885 19.887 19.000 0.004 0.000 1.056 367 A HN 2.043 nan 8.150 nan 0.000 0.489 368 V N -0.945 119.061 119.914 0.154 0.000 3.040 368 V HA 0.798 4.918 4.120 -0.001 0.000 0.312 368 V C -0.908 175.302 176.094 0.193 0.000 1.115 368 V CA -0.937 61.470 62.300 0.177 0.000 0.998 368 V CB 1.650 33.540 31.823 0.112 0.000 1.042 368 V HN 1.013 nan 8.190 nan 0.000 0.433 369 L N 2.351 123.663 121.223 0.150 0.000 2.318 369 L HA 0.599 4.938 4.340 -0.001 0.000 0.277 369 L C 0.852 177.736 176.870 0.023 0.000 1.008 369 L CA 0.229 55.107 54.840 0.064 0.000 0.846 369 L CB 1.176 43.259 42.059 0.040 0.000 1.220 369 L HN 0.813 nan 8.230 nan 0.000 0.423 370 K N 1.426 121.829 120.400 0.005 0.000 2.062 370 K HA 0.017 4.336 4.320 -0.001 0.000 0.205 370 K C 0.018 176.606 176.600 -0.020 0.000 1.051 370 K CA 1.024 57.310 56.287 -0.002 0.000 0.941 370 K CB 0.134 32.634 32.500 0.001 0.000 0.719 370 K HN 0.587 nan 8.250 nan 0.000 0.440 371 D N -0.045 120.330 120.400 -0.042 0.000 2.391 371 D HA 0.150 4.790 4.640 -0.001 0.000 0.245 371 D C -0.488 175.774 176.300 -0.064 0.000 1.069 371 D CA -0.401 53.571 54.000 -0.048 0.000 0.831 371 D CB 1.613 42.382 40.800 -0.051 0.000 1.204 371 D HN -0.300 nan 8.370 nan 0.000 0.503 372 K N 1.446 121.814 120.400 -0.054 0.000 2.437 372 K HA 0.163 4.483 4.320 -0.001 0.000 0.198 372 K C 1.428 177.982 176.600 -0.076 0.000 1.024 372 K CA 0.167 56.419 56.287 -0.059 0.000 1.148 372 K CB 0.230 32.704 32.500 -0.043 0.000 0.860 372 K HN 0.418 nan 8.250 nan 0.000 0.515 373 T N 0.112 114.618 114.554 -0.080 0.000 2.580 373 T HA -0.267 4.082 4.350 -0.001 0.000 0.265 373 T C 1.924 176.541 174.700 -0.138 0.000 1.063 373 T CA 1.774 63.813 62.100 -0.101 0.000 1.170 373 T CB -0.424 68.397 68.868 -0.079 0.000 0.863 373 T HN 0.325 nan 8.240 nan 0.000 0.418 374 A N 1.335 124.098 122.820 -0.094 0.000 1.873 374 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 374 A C 2.354 179.901 177.584 -0.063 0.000 1.193 374 A CA 1.912 53.919 52.037 -0.050 0.000 0.629 374 A CB -1.075 17.919 19.000 -0.011 0.000 0.826 374 A HN 0.442 nan 8.150 nan 0.000 0.447 375 L N 0.193 121.382 121.223 -0.058 0.000 2.013 375 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 375 L C 1.984 178.827 176.870 -0.045 0.000 1.073 375 L CA 2.548 57.376 54.840 -0.019 0.000 0.753 375 L CB -0.579 41.466 42.059 -0.023 0.000 0.890 375 L HN 0.361 nan 8.230 nan 0.000 0.432 376 N N 0.158 118.798 118.700 -0.100 0.000 2.142 376 N HA -0.125 4.615 4.740 -0.001 0.000 0.186 376 N C 1.858 177.235 175.510 -0.221 0.000 1.023 376 N CA 1.527 54.501 53.050 -0.128 0.000 0.852 376 N CB -0.612 37.799 38.487 -0.126 0.000 0.998 376 N HN 0.561 nan 8.380 nan 0.000 0.424 377 A N 1.226 123.820 122.820 -0.377 0.000 1.873 377 A HA -0.096 4.224 4.320 -0.001 0.000 0.218 377 A C 2.398 179.703 177.584 -0.464 0.000 1.193 377 A CA 2.364 53.981 52.037 -0.700 0.000 0.629 377 A CB -1.109 17.220 19.000 -1.119 0.000 0.826 377 A HN 0.326 nan 8.150 nan 0.000 0.447 378 A N -0.594 122.087 122.820 -0.231 0.000 1.883 378 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 378 A C 2.460 180.080 177.584 0.060 0.000 1.186 378 A CA 2.329 54.363 52.037 -0.005 0.000 0.624 378 A CB -1.014 18.158 19.000 0.287 0.000 0.822 378 A HN 0.508 nan 8.150 nan 0.000 0.444 379 S N -0.611 115.134 115.700 0.076 0.000 2.382 379 S HA -0.124 4.346 4.470 -0.001 0.000 0.228 379 S C 2.019 176.618 174.600 -0.000 0.000 1.027 379 S CA 1.714 59.956 58.200 0.070 0.000 0.991 379 S CB -0.568 62.628 63.200 -0.006 0.000 0.823 379 S HN 0.692 nan 8.310 nan 0.000 0.469 380 T N 2.404 116.914 114.554 -0.074 0.000 2.777 380 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 380 T C 2.183 176.856 174.700 -0.045 0.000 1.040 380 T CA 1.553 63.613 62.100 -0.067 0.000 1.141 380 T CB -0.511 68.290 68.868 -0.112 0.000 0.868 380 T HN 0.446 nan 8.240 nan 0.000 0.444 381 V N -0.866 118.986 119.914 -0.104 0.000 2.427 381 V HA -0.021 4.099 4.120 -0.001 0.000 0.248 381 V C 2.033 178.056 176.094 -0.119 0.000 1.051 381 V CA 1.470 63.703 62.300 -0.112 0.000 1.048 381 V CB -1.221 30.521 31.823 -0.134 0.000 0.666 381 V HN 0.297 nan 8.190 nan 0.000 0.456 382 F N 2.401 122.386 119.950 0.058 0.000 2.558 382 F HA 0.472 4.999 4.527 -0.001 0.000 0.298 382 F C 2.098 177.863 175.800 -0.059 0.000 1.119 382 F CA 0.578 58.601 58.000 0.038 0.000 1.451 382 F CB -0.847 38.175 39.000 0.037 0.000 1.091 382 F HN 0.442 nan 8.300 nan 0.000 0.563 383 G N 1.023 109.875 108.800 0.087 0.000 2.212 383 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.255 383 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.255 383 G C -0.136 174.709 174.900 -0.092 0.000 1.062 383 G CA 0.132 45.232 45.100 -0.001 0.000 0.815 383 G HN 0.609 nan 8.290 nan 0.000 0.497 384 V N -3.138 116.686 119.914 -0.150 0.000 3.046 384 V HA 0.832 4.952 4.120 -0.001 0.000 0.316 384 V C 0.240 176.223 176.094 -0.185 0.000 1.104 384 V CA -1.565 60.559 62.300 -0.293 0.000 1.006 384 V CB 2.139 33.545 31.823 -0.695 0.000 1.058 384 V HN 0.328 nan 8.190 nan 0.000 0.440 385 N N 2.849 121.443 118.700 -0.176 0.000 2.444 385 N HA 0.378 5.118 4.740 -0.001 0.000 0.271 385 N C -1.741 173.717 175.510 -0.087 0.000 1.069 385 N CA -1.766 51.220 53.050 -0.106 0.000 0.965 385 N CB 1.980 40.414 38.487 -0.088 0.000 1.092 385 N HN 0.543 nan 8.380 nan 0.000 0.476 386 P HA -0.039 nan 4.420 nan 0.000 0.218 386 P C 0.983 178.276 177.300 -0.012 0.000 1.149 386 P CA 0.990 64.074 63.100 -0.028 0.000 0.817 386 P CB 0.397 32.081 31.700 -0.027 0.000 0.785 387 S N -0.722 114.967 115.700 -0.019 0.000 2.414 387 S HA -0.032 4.438 4.470 -0.001 0.000 0.227 387 S C 2.014 176.610 174.600 -0.005 0.000 1.022 387 S CA 0.622 58.818 58.200 -0.007 0.000 0.958 387 S CB -0.887 62.306 63.200 -0.012 0.000 0.797 387 S HN -0.054 nan 8.310 nan 0.000 0.493 388 V N 1.887 121.787 119.914 -0.023 0.000 2.358 388 V HA -0.112 4.008 4.120 -0.001 0.000 0.246 388 V C 2.226 178.316 176.094 -0.007 0.000 1.047 388 V CA 1.422 63.706 62.300 -0.026 0.000 1.035 388 V CB -0.523 31.268 31.823 -0.053 0.000 0.658 388 V HN 0.388 nan 8.190 nan 0.000 0.452 389 L N 0.250 121.467 121.223 -0.009 0.000 2.056 389 L HA -0.143 4.197 4.340 -0.001 0.000 0.207 389 L C 2.363 179.289 176.870 0.092 0.000 1.078 389 L CA 2.135 57.002 54.840 0.044 0.000 0.749 389 L CB -0.769 41.312 42.059 0.036 0.000 0.901 389 L HN 0.394 nan 8.230 nan 0.000 0.433 390 E N -0.496 119.751 120.200 0.079 0.000 2.085 390 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 390 E C 2.127 178.787 176.600 0.099 0.000 0.994 390 E CA 1.457 57.925 56.400 0.113 0.000 0.801 390 E CB 0.027 29.775 29.700 0.080 0.000 0.743 390 E HN 0.513 nan 8.360 nan 0.000 0.453 391 K N -0.146 120.284 120.400 0.050 0.000 2.097 391 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 391 K C 2.015 178.631 176.600 0.027 0.000 1.050 391 K CA 0.993 57.292 56.287 0.020 0.000 0.938 391 K CB -0.063 32.434 32.500 -0.005 0.000 0.718 391 K HN 0.081 nan 8.250 nan 0.000 0.442 392 A N 0.791 123.637 122.820 0.043 0.000 2.070 392 A HA -0.094 4.225 4.320 -0.001 0.000 0.220 392 A C 1.954 179.574 177.584 0.060 0.000 1.159 392 A CA 1.186 53.252 52.037 0.050 0.000 0.656 392 A CB -0.394 18.643 19.000 0.062 0.000 0.800 392 A HN 0.153 nan 8.150 nan 0.000 0.453 393 L N -2.024 119.252 121.223 0.088 0.000 2.145 393 L HA 0.043 4.383 4.340 -0.001 0.000 0.201 393 L C 2.693 179.557 176.870 -0.009 0.000 1.075 393 L CA 1.006 55.894 54.840 0.080 0.000 0.773 393 L CB -0.251 41.946 42.059 0.229 0.000 0.936 393 L HN 0.343 nan 8.230 nan 0.000 0.451 394 M N -1.279 118.345 119.600 0.040 0.000 2.486 394 M HA 0.027 4.506 4.480 -0.001 0.000 0.264 394 M C 0.085 176.432 176.300 0.079 0.000 1.125 394 M CA 1.022 56.351 55.300 0.048 0.000 1.144 394 M CB 0.541 33.233 32.600 0.153 0.000 1.353 394 M HN 0.051 nan 8.290 nan 0.000 0.466 395 E N 0.910 121.110 120.200 0.001 0.000 4.052 395 E HA 0.230 4.580 4.350 -0.001 0.000 0.219 395 E C -2.460 174.124 176.600 -0.026 0.000 1.166 395 E CA -1.561 54.807 56.400 -0.053 0.000 1.338 395 E CB 0.756 30.355 29.700 -0.168 0.000 1.212 395 E HN 0.129 nan 8.360 nan 0.000 0.432 396 P HA 0.081 nan 4.420 nan 0.000 0.272 396 P C -0.315 176.987 177.300 0.003 0.000 1.223 396 P CA -0.168 62.936 63.100 0.006 0.000 0.784 396 P CB 1.030 32.739 31.700 0.014 0.000 0.923 397 R N 1.803 122.307 120.500 0.005 0.000 2.486 397 R HA 0.692 5.032 4.340 -0.001 0.000 0.286 397 R C 0.384 176.693 176.300 0.014 0.000 0.999 397 R CA -0.697 55.406 56.100 0.005 0.000 0.993 397 R CB 0.691 30.993 30.300 0.003 0.000 1.084 397 R HN 0.536 nan 8.270 nan 0.000 0.487 398 I N -1.737 118.840 120.570 0.012 0.000 3.174 398 I HA 0.481 4.651 4.170 -0.001 0.000 0.313 398 I C -0.963 175.162 176.117 0.012 0.000 1.155 398 I CA -1.376 59.934 61.300 0.016 0.000 0.977 398 I CB 1.548 39.558 38.000 0.015 0.000 1.248 398 I HN 0.291 nan 8.210 nan 0.000 0.453 399 L N 2.334 123.565 121.223 0.013 0.000 2.334 399 L HA 0.713 5.053 4.340 -0.001 0.000 0.277 399 L C 0.122 176.994 176.870 0.004 0.000 1.075 399 L CA -0.694 54.151 54.840 0.008 0.000 0.804 399 L CB 1.591 43.654 42.059 0.007 0.000 1.174 399 L HN 0.848 nan 8.230 nan 0.000 0.438 400 A N 2.351 125.171 122.820 0.001 0.000 2.664 400 A HA 0.645 4.965 4.320 -0.001 0.000 0.338 400 A C 0.574 178.156 177.584 -0.003 0.000 1.280 400 A CA 0.199 52.235 52.037 -0.002 0.000 0.809 400 A CB 0.425 19.424 19.000 -0.002 0.000 1.114 400 A HN 1.014 nan 8.150 nan 0.000 0.479 401 G N 2.345 111.142 108.800 -0.004 0.000 2.950 401 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.299 401 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.299 401 G C 0.856 175.754 174.900 -0.003 0.000 1.310 401 G CA 0.668 45.765 45.100 -0.005 0.000 0.994 401 G HN 0.792 nan 8.290 nan 0.000 0.575 402 R N 0.705 121.204 120.500 -0.002 0.000 2.487 402 R HA 0.270 4.610 4.340 -0.001 0.000 0.272 402 R C 0.020 176.321 176.300 0.001 0.000 0.928 402 R CA 0.091 56.191 56.100 -0.000 0.000 1.077 402 R CB 0.543 30.843 30.300 -0.001 0.000 1.265 402 R HN 0.450 nan 8.270 nan 0.000 0.537 403 D N 1.019 121.419 120.400 0.000 0.000 2.362 403 D HA 0.063 4.702 4.640 -0.001 0.000 0.242 403 D C -0.930 175.372 176.300 0.002 0.000 1.132 403 D CA -0.186 53.814 54.000 0.001 0.000 0.907 403 D CB 1.025 41.825 40.800 -0.000 0.000 1.195 403 D HN -0.166 nan 8.370 nan 0.000 0.429 404 L N 4.537 125.761 121.223 0.002 0.000 2.262 404 L HA 0.406 4.746 4.340 -0.001 0.000 0.288 404 L C -0.874 175.996 176.870 0.000 0.000 1.035 404 L CA -0.600 54.242 54.840 0.002 0.000 0.820 404 L CB 0.992 43.052 42.059 0.002 0.000 1.204 404 L HN 0.230 nan 8.230 nan 0.000 0.424 405 V N 2.911 122.826 119.914 0.001 0.000 2.604 405 V HA 0.968 5.088 4.120 -0.001 0.000 0.305 405 V C 0.053 176.146 176.094 -0.002 0.000 1.043 405 V CA -0.492 61.808 62.300 -0.000 0.000 0.888 405 V CB 1.317 33.141 31.823 0.002 0.000 0.995 405 V HN 0.961 nan 8.190 nan 0.000 0.429 406 A N 3.985 126.801 122.820 -0.008 0.000 2.331 406 A HA 0.681 5.001 4.320 -0.001 0.000 0.283 406 A C 0.072 177.653 177.584 -0.004 0.000 1.142 406 A CA -0.484 51.543 52.037 -0.016 0.000 0.812 406 A CB 0.458 19.433 19.000 -0.040 0.000 1.074 406 A HN 0.981 nan 8.150 nan 0.000 0.497 407 Q N -0.067 119.736 119.800 0.005 0.000 2.185 407 Q HA 0.396 4.736 4.340 -0.001 0.000 0.225 407 Q C -0.618 175.431 176.000 0.082 0.000 0.983 407 Q CA -0.292 55.533 55.803 0.036 0.000 0.950 407 Q CB 1.261 30.016 28.738 0.029 0.000 1.176 407 Q HN 0.855 nan 8.270 nan 0.000 0.510 408 H N 0.575 119.634 119.070 -0.018 0.000 2.607 408 H HA 0.310 4.866 4.556 -0.000 0.000 0.248 408 H C -1.017 174.291 175.328 -0.033 0.000 1.355 408 H CA -0.505 55.532 56.048 -0.019 0.000 1.524 408 H CB 0.202 29.959 29.762 -0.010 0.000 1.563 408 H HN 0.428 nan 8.280 nan 0.000 0.509 409 L N 3.122 124.441 121.223 0.160 0.000 2.461 409 L HA 0.035 4.374 4.340 -0.001 0.000 0.272 409 L C 0.815 177.623 176.870 -0.104 0.000 1.197 409 L CA -0.439 54.395 54.840 -0.010 0.000 0.836 409 L CB 0.174 42.199 42.059 -0.056 0.000 1.105 409 L HN 0.693 nan 8.230 nan 0.000 0.477 410 N N 1.583 120.215 118.700 -0.112 0.000 2.322 410 N HA 0.088 4.828 4.740 -0.001 0.000 0.270 410 N C 0.779 176.217 175.510 -0.121 0.000 1.286 410 N CA -0.742 52.236 53.050 -0.120 0.000 0.948 410 N CB 0.143 38.580 38.487 -0.082 0.000 1.164 410 N HN 0.261 nan 8.380 nan 0.000 0.551 411 V N -0.295 119.580 119.914 -0.065 0.000 2.252 411 V HA -0.260 3.859 4.120 -0.001 0.000 0.249 411 V C 2.507 178.576 176.094 -0.041 0.000 1.056 411 V CA 2.408 64.698 62.300 -0.016 0.000 1.022 411 V CB -1.013 30.840 31.823 0.049 0.000 0.641 411 V HN 0.843 nan 8.190 nan 0.000 0.445 412 E N 0.181 120.364 120.200 -0.029 0.000 2.038 412 E HA -0.272 4.078 4.350 -0.001 0.000 0.195 412 E C 2.269 178.837 176.600 -0.053 0.000 1.000 412 E CA 1.628 58.016 56.400 -0.019 0.000 0.803 412 E CB -0.093 29.602 29.700 -0.009 0.000 0.750 412 E HN 0.598 nan 8.360 nan 0.000 0.448 413 K N 0.140 120.491 120.400 -0.082 0.000 2.097 413 K HA -0.048 4.271 4.320 -0.001 0.000 0.205 413 K C 2.380 178.880 176.600 -0.167 0.000 1.050 413 K CA 1.277 57.509 56.287 -0.092 0.000 0.938 413 K CB -0.014 32.441 32.500 -0.075 0.000 0.718 413 K HN 0.031 nan 8.250 nan 0.000 0.442 414 S N 0.981 116.490 115.700 -0.317 0.000 2.368 414 S HA -0.151 4.319 4.470 -0.001 0.000 0.225 414 S C 2.121 176.357 174.600 -0.606 0.000 1.030 414 S CA 1.440 59.242 58.200 -0.663 0.000 0.999 414 S CB -0.220 62.181 63.200 -1.333 0.000 0.844 414 S HN 0.328 nan 8.310 nan 0.000 0.459 415 S N 1.345 116.870 115.700 -0.292 0.000 2.356 415 S HA -0.091 4.378 4.470 -0.001 0.000 0.223 415 S C 2.087 176.752 174.600 0.110 0.000 1.032 415 S CA 1.530 59.808 58.200 0.131 0.000 1.005 415 S CB -0.509 62.810 63.200 0.198 0.000 0.867 415 S HN 0.428 nan 8.310 nan 0.000 0.449 416 S N 0.527 116.245 115.700 0.029 0.000 2.383 416 S HA -0.087 4.383 4.470 -0.001 0.000 0.229 416 S C 2.122 176.744 174.600 0.037 0.000 1.030 416 S CA 1.393 59.614 58.200 0.036 0.000 1.002 416 S CB -0.577 62.629 63.200 0.009 0.000 0.829 416 S HN 0.647 nan 8.310 nan 0.000 0.467 417 S N 1.084 116.785 115.700 0.001 0.000 2.371 417 S HA -0.058 4.411 4.470 -0.001 0.000 0.224 417 S C 2.123 176.767 174.600 0.074 0.000 1.029 417 S CA 0.765 58.973 58.200 0.014 0.000 0.978 417 S CB -0.294 62.890 63.200 -0.026 0.000 0.833 417 S HN 0.412 nan 8.310 nan 0.000 0.466 418 R N 1.224 121.805 120.500 0.134 0.000 2.091 418 R HA -0.119 4.220 4.340 -0.001 0.000 0.238 418 R C 1.308 177.738 176.300 0.216 0.000 1.136 418 R CA 2.164 58.409 56.100 0.241 0.000 0.959 418 R CB -1.211 29.349 30.300 0.434 0.000 0.856 418 R HN 0.369 nan 8.270 nan 0.000 0.437 419 D N 0.562 121.084 120.400 0.203 0.000 2.123 419 D HA -0.118 4.522 4.640 -0.001 0.000 0.196 419 D C 1.791 178.149 176.300 0.097 0.000 0.992 419 D CA 1.760 55.864 54.000 0.173 0.000 0.833 419 D CB -0.332 40.551 40.800 0.139 0.000 0.954 419 D HN 0.383 nan 8.370 nan 0.000 0.455 420 A N 0.635 123.497 122.820 0.070 0.000 1.902 420 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 420 A C 2.137 179.737 177.584 0.027 0.000 1.181 420 A CA 1.085 53.144 52.037 0.037 0.000 0.623 420 A CB -0.675 18.340 19.000 0.023 0.000 0.818 420 A HN 0.265 nan 8.150 nan 0.000 0.443 421 L N -0.115 121.128 121.223 0.035 0.000 2.017 421 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 421 L C 2.329 179.190 176.870 -0.013 0.000 1.073 421 L CA 1.942 56.768 54.840 -0.023 0.000 0.745 421 L CB -0.717 41.320 42.059 -0.036 0.000 0.894 421 L HN 0.126 nan 8.230 nan 0.000 0.432 422 V N 0.181 120.145 119.914 0.083 0.000 2.255 422 V HA -0.342 3.778 4.120 -0.001 0.000 0.247 422 V C 2.661 178.828 176.094 0.122 0.000 1.051 422 V CA 2.299 64.689 62.300 0.150 0.000 1.018 422 V CB -0.668 31.296 31.823 0.234 0.000 0.641 422 V HN 0.504 nan 8.190 nan 0.000 0.445 423 K N 0.100 120.542 120.400 0.069 0.000 2.074 423 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 423 K C 2.232 178.870 176.600 0.063 0.000 1.048 423 K CA 1.637 57.965 56.287 0.068 0.000 0.926 423 K CB -0.424 32.095 32.500 0.033 0.000 0.713 423 K HN 0.507 nan 8.250 nan 0.000 0.444 424 A N 1.236 124.057 122.820 0.001 0.000 1.929 424 A HA -0.070 4.250 4.320 -0.001 0.000 0.216 424 A C 2.129 179.645 177.584 -0.114 0.000 1.176 424 A CA 0.941 52.931 52.037 -0.079 0.000 0.628 424 A CB -0.466 18.459 19.000 -0.125 0.000 0.816 424 A HN 0.131 nan 8.150 nan 0.000 0.444 425 L N -2.227 118.968 121.223 -0.047 0.000 1.994 425 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 425 L C 2.551 179.453 176.870 0.052 0.000 1.071 425 L CA 1.936 56.765 54.840 -0.018 0.000 0.745 425 L CB -0.596 41.496 42.059 0.055 0.000 0.892 425 L HN 0.552 nan 8.230 nan 0.000 0.431 426 Y N 0.453 120.772 120.300 0.032 0.000 2.089 426 Y HA -0.218 4.331 4.550 -0.000 0.000 0.282 426 Y C 2.381 178.286 175.900 0.008 0.000 1.139 426 Y CA 1.807 59.939 58.100 0.055 0.000 1.123 426 Y CB -0.742 37.775 38.460 0.094 0.000 0.980 426 Y HN 0.113 nan 8.280 nan 0.000 0.493 427 G N -0.427 108.431 108.800 0.096 0.000 2.442 427 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.219 427 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.219 427 G C 1.725 176.598 174.900 -0.044 0.000 1.141 427 G CA 0.956 46.062 45.100 0.011 0.000 0.763 427 G HN 0.348 nan 8.290 nan 0.000 0.554 428 R N -0.727 119.711 120.500 -0.103 0.000 2.115 428 R HA 0.094 4.433 4.340 -0.001 0.000 0.226 428 R C 2.401 178.641 176.300 -0.100 0.000 1.100 428 R CA 0.716 56.735 56.100 -0.136 0.000 0.980 428 R CB -0.384 29.752 30.300 -0.274 0.000 0.875 428 R HN 0.365 nan 8.270 nan 0.000 0.445 429 L N 0.214 121.350 121.223 -0.145 0.000 2.046 429 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 429 L C 1.881 178.634 176.870 -0.194 0.000 1.077 429 L CA 1.627 56.369 54.840 -0.164 0.000 0.747 429 L CB -0.602 41.299 42.059 -0.263 0.000 0.896 429 L HN 0.033 nan 8.230 nan 0.000 0.432 430 F N -0.374 119.314 119.950 -0.436 0.000 2.095 430 F HA -0.248 4.278 4.527 -0.000 0.000 0.298 430 F C 2.197 177.821 175.800 -0.292 0.000 1.104 430 F CA 1.868 59.595 58.000 -0.454 0.000 1.232 430 F CB -0.218 38.493 39.000 -0.482 0.000 0.987 430 F HN 0.038 nan 8.300 nan 0.000 0.475 431 L N -1.440 119.751 121.223 -0.054 0.000 2.083 431 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 431 L C 2.279 179.073 176.870 -0.125 0.000 1.083 431 L CA 1.577 56.362 54.840 -0.090 0.000 0.752 431 L CB -0.834 41.209 42.059 -0.027 0.000 0.899 431 L HN 0.461 nan 8.230 nan 0.000 0.433 432 W N 0.796 121.945 121.300 -0.251 0.000 2.358 432 W HA -0.200 4.460 4.660 -0.001 0.000 0.303 432 W C 2.234 178.617 176.519 -0.226 0.000 1.208 432 W CA 1.331 58.549 57.345 -0.211 0.000 1.274 432 W CB -0.206 29.146 29.460 -0.181 0.000 1.138 432 W HN -0.048 nan 8.180 nan 0.000 0.515 433 L N -0.134 120.880 121.223 -0.348 0.000 1.989 433 L HA -0.299 4.041 4.340 -0.001 0.000 0.211 433 L C 2.332 178.903 176.870 -0.498 0.000 1.071 433 L CA 1.729 56.248 54.840 -0.534 0.000 0.749 433 L CB -1.416 40.183 42.059 -0.767 0.000 0.890 433 L HN -0.118 nan 8.230 nan 0.000 0.431 434 V N -0.257 119.315 119.914 -0.569 0.000 2.287 434 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 434 V C 2.437 178.332 176.094 -0.333 0.000 1.053 434 V CA 1.884 63.925 62.300 -0.432 0.000 1.027 434 V CB -0.633 30.947 31.823 -0.406 0.000 0.646 434 V HN 0.411 nan 8.190 nan 0.000 0.447 435 K N -0.218 119.980 120.400 -0.337 0.000 2.057 435 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 435 K C 2.340 178.709 176.600 -0.386 0.000 1.049 435 K CA 1.074 57.181 56.287 -0.300 0.000 0.931 435 K CB -0.197 32.157 32.500 -0.244 0.000 0.714 435 K HN 0.264 nan 8.250 nan 0.000 0.440 436 K N 0.927 120.978 120.400 -0.581 0.000 2.026 436 K HA -0.109 4.211 4.320 -0.001 0.000 0.208 436 K C 2.113 178.405 176.600 -0.512 0.000 1.048 436 K CA 1.325 57.199 56.287 -0.689 0.000 0.929 436 K CB -0.344 31.539 32.500 -1.028 0.000 0.713 436 K HN 0.181 nan 8.250 nan 0.000 0.439 437 I N 1.719 122.069 120.570 -0.367 0.000 2.179 437 I HA -0.302 3.867 4.170 -0.001 0.000 0.242 437 I C 1.873 177.854 176.117 -0.226 0.000 1.088 437 I CA 1.080 62.230 61.300 -0.251 0.000 1.357 437 I CB -0.315 37.591 38.000 -0.157 0.000 1.051 437 I HN 0.148 nan 8.210 nan 0.000 0.409 438 N N 0.690 119.259 118.700 -0.218 0.000 2.223 438 N HA -0.223 4.516 4.740 -0.001 0.000 0.185 438 N C 1.544 176.947 175.510 -0.177 0.000 1.016 438 N CA 1.317 54.261 53.050 -0.176 0.000 0.863 438 N CB -0.724 37.667 38.487 -0.159 0.000 0.983 438 N HN 0.468 nan 8.380 nan 0.000 0.429 439 N N 0.291 118.862 118.700 -0.214 0.000 2.244 439 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 439 N C 1.449 176.849 175.510 -0.183 0.000 1.016 439 N CA 0.427 53.363 53.050 -0.189 0.000 0.866 439 N CB 0.251 38.625 38.487 -0.188 0.000 0.980 439 N HN -0.074 nan 8.380 nan 0.000 0.430 440 V N 1.513 121.295 119.914 -0.220 0.000 2.407 440 V HA -0.189 3.930 4.120 -0.001 0.000 0.248 440 V C 1.986 177.994 176.094 -0.145 0.000 1.055 440 V CA 1.284 63.467 62.300 -0.195 0.000 1.049 440 V CB -0.322 31.363 31.823 -0.231 0.000 0.662 440 V HN 0.359 nan 8.190 nan 0.000 0.455 441 L N 0.365 121.505 121.223 -0.140 0.000 2.554 441 L HA 0.049 4.388 4.340 -0.001 0.000 0.226 441 L C 1.211 178.019 176.870 -0.104 0.000 1.137 441 L CA -0.045 54.726 54.840 -0.114 0.000 0.863 441 L CB -0.616 41.377 42.059 -0.110 0.000 0.985 441 L HN 0.542 nan 8.230 nan 0.000 0.451 442 C N -1.137 118.099 119.300 -0.106 0.000 2.265 442 C HA 0.804 5.264 4.460 -0.001 0.000 0.332 442 C C 1.087 176.030 174.990 -0.078 0.000 1.248 442 C CA 0.129 59.093 59.018 -0.089 0.000 1.727 442 C CB -0.010 27.678 27.740 -0.087 0.000 2.348 442 C HN 0.438 nan 8.230 nan 0.000 0.519 443 S N 1.929 117.590 115.700 -0.065 0.000 2.760 443 S HA 0.411 4.881 4.470 -0.001 0.000 0.263 443 S C 0.000 174.576 174.600 -0.040 0.000 1.007 443 S CA -0.036 58.132 58.200 -0.054 0.000 1.358 443 S CB 0.212 63.379 63.200 -0.056 0.000 1.228 443 S HN 0.815 nan 8.310 nan 0.000 0.684 444 E N 0.527 120.705 120.200 -0.037 0.000 2.375 444 E HA 0.283 4.633 4.350 -0.001 0.000 0.280 444 E C -1.336 175.252 176.600 -0.019 0.000 0.972 444 E CA -0.627 55.759 56.400 -0.022 0.000 0.782 444 E CB 1.415 31.110 29.700 -0.009 0.000 1.229 444 E HN 0.270 nan 8.360 nan 0.000 0.439 445 R N 1.010 121.502 120.500 -0.013 0.000 2.272 445 R HA 0.360 4.700 4.340 -0.001 0.000 0.334 445 R C 0.087 176.385 176.300 -0.003 0.000 1.117 445 R CA -0.169 55.924 56.100 -0.011 0.000 0.966 445 R CB 0.424 30.716 30.300 -0.013 0.000 1.049 445 R HN 0.446 nan 8.270 nan 0.000 0.477 446 A N 2.429 125.254 122.820 0.008 0.000 2.531 446 A HA 0.191 4.510 4.320 -0.001 0.000 0.236 446 A C 1.119 178.703 177.584 -0.001 0.000 1.062 446 A CA 0.552 52.611 52.037 0.037 0.000 0.760 446 A CB 0.512 19.559 19.000 0.078 0.000 0.995 446 A HN 0.875 nan 8.150 nan 0.000 0.501 447 A N 1.768 124.561 122.820 -0.045 0.000 2.014 447 A HA 0.513 4.833 4.320 -0.001 0.000 0.210 447 A C 0.278 177.539 177.584 -0.539 0.000 1.188 447 A CA 0.837 52.670 52.037 -0.339 0.000 0.731 447 A CB 0.064 18.820 19.000 -0.405 0.000 0.858 447 A HN 0.840 nan 8.150 nan 0.000 0.464 448 Y N -2.271 118.156 120.300 0.212 0.000 2.705 448 Y HA 0.565 5.115 4.550 -0.000 0.000 0.332 448 Y C -0.667 175.478 175.900 0.409 0.000 1.221 448 Y CA -1.708 56.531 58.100 0.232 0.000 1.059 448 Y CB 1.176 39.715 38.460 0.131 0.000 1.298 448 Y HN 0.312 nan 8.280 nan 0.000 0.459 449 F N -0.901 119.310 119.950 0.435 0.000 2.668 449 F HA 0.861 5.388 4.527 -0.001 0.000 0.309 449 F C -2.116 173.891 175.800 0.345 0.000 1.117 449 F CA -1.489 56.719 58.000 0.346 0.000 0.951 449 F CB 1.350 40.449 39.000 0.165 0.000 1.323 449 F HN 0.287 nan 8.300 nan 0.000 0.451 450 I N 2.178 123.059 120.570 0.518 0.000 2.410 450 I HA 0.546 4.716 4.170 -0.001 0.000 0.286 450 I C -0.017 176.315 176.117 0.359 0.000 1.009 450 I CA -0.846 60.655 61.300 0.336 0.000 1.111 450 I CB 1.788 40.021 38.000 0.388 0.000 1.262 450 I HN 0.983 nan 8.210 nan 0.000 0.443 451 G N 5.955 114.981 108.800 0.377 0.000 2.335 451 G HA2 0.564 4.524 3.960 -0.001 0.000 0.316 451 G HA3 0.564 4.524 3.960 -0.001 0.000 0.316 451 G C -0.702 174.186 174.900 -0.020 0.000 1.129 451 G CA -0.303 44.804 45.100 0.011 0.000 0.899 451 G HN 0.322 nan 8.290 nan 0.000 0.448 452 V N 3.505 123.285 119.914 -0.223 0.000 2.370 452 V HA 0.347 4.467 4.120 -0.001 0.000 0.283 452 V C -0.180 175.937 176.094 0.039 0.000 1.023 452 V CA -0.823 61.464 62.300 -0.022 0.000 0.857 452 V CB 1.247 33.069 31.823 -0.002 0.000 0.985 452 V HN 0.638 nan 8.190 nan 0.000 0.443 453 L N 4.401 125.745 121.223 0.203 0.000 2.265 453 L HA 0.654 4.994 4.340 -0.001 0.000 0.289 453 L C -0.509 176.448 176.870 0.144 0.000 1.033 453 L CA 0.319 55.324 54.840 0.274 0.000 0.814 453 L CB 1.193 43.417 42.059 0.275 0.000 1.203 453 L HN 0.710 nan 8.230 nan 0.000 0.423 454 D N 5.636 126.108 120.400 0.120 0.000 2.404 454 D HA 0.276 4.916 4.640 -0.001 0.000 0.267 454 D C -0.309 175.999 176.300 0.013 0.000 1.194 454 D CA -0.363 53.667 54.000 0.050 0.000 0.910 454 D CB 0.428 41.241 40.800 0.022 0.000 1.090 454 D HN 0.502 nan 8.370 nan 0.000 0.511 455 I N -0.921 119.662 120.570 0.022 0.000 3.078 455 I HA 0.559 4.729 4.170 -0.001 0.000 0.318 455 I C 0.081 176.185 176.117 -0.021 0.000 1.016 455 I CA -0.746 60.557 61.300 0.005 0.000 1.130 455 I CB 1.337 39.345 38.000 0.014 0.000 1.397 455 I HN -0.036 nan 8.210 nan 0.000 0.570 456 S N 1.791 117.480 115.700 -0.019 0.000 2.505 456 S HA 0.430 4.900 4.470 -0.001 0.000 0.276 456 S C 0.329 174.941 174.600 0.019 0.000 1.274 456 S CA -0.389 57.805 58.200 -0.010 0.000 1.053 456 S CB 0.841 64.043 63.200 0.003 0.000 0.919 456 S HN 0.900 nan 8.310 nan 0.000 0.490 457 G N 1.224 110.045 108.800 0.035 0.000 2.547 457 G HA2 0.481 4.440 3.960 -0.001 0.000 0.291 457 G HA3 0.481 4.440 3.960 -0.001 0.000 0.291 457 G C -0.454 174.484 174.900 0.065 0.000 1.211 457 G CA -0.819 44.327 45.100 0.076 0.000 0.950 457 G HN 0.598 nan 8.290 nan 0.000 0.504 458 F N 1.118 121.053 119.950 -0.024 0.000 2.604 458 F HA 0.192 4.719 4.527 -0.001 0.000 0.393 458 F C 0.972 176.680 175.800 -0.153 0.000 1.043 458 F CA 0.685 58.633 58.000 -0.086 0.000 1.227 458 F CB 0.386 39.332 39.000 -0.090 0.000 1.016 458 F HN 0.576 nan 8.300 nan 0.000 0.556 459 E N 6.086 125.888 120.200 -0.664 0.000 2.366 459 E HA 0.635 4.985 4.350 -0.001 0.000 0.278 459 E C -1.691 174.400 176.600 -0.849 0.000 0.923 459 E CA -0.957 55.063 56.400 -0.632 0.000 0.761 459 E CB 1.974 31.323 29.700 -0.585 0.000 1.231 459 E HN 0.525 nan 8.360 nan 0.000 0.443 460 I N 2.144 122.221 120.570 -0.822 0.000 2.499 460 I HA 0.501 4.670 4.170 -0.001 0.000 0.288 460 I C -1.236 174.446 176.117 -0.725 0.000 1.048 460 I CA -0.809 60.106 61.300 -0.642 0.000 1.062 460 I CB 0.905 38.716 38.000 -0.315 0.000 1.238 460 I HN 0.455 nan 8.210 nan 0.000 0.426 461 F N 3.120 123.014 119.950 -0.093 0.000 2.654 461 F HA 0.485 5.012 4.527 -0.001 0.000 0.334 461 F C 1.284 177.054 175.800 -0.050 0.000 1.078 461 F CA -1.050 56.918 58.000 -0.054 0.000 0.986 461 F CB 0.971 39.955 39.000 -0.027 0.000 1.362 461 F HN 0.241 nan 8.300 nan 0.000 0.498 462 K N -0.161 120.376 120.400 0.227 0.000 2.103 462 K HA 0.023 4.343 4.320 -0.001 0.000 0.207 462 K C -0.281 176.379 176.600 0.099 0.000 1.048 462 K CA 1.073 57.422 56.287 0.104 0.000 0.930 462 K CB -0.080 32.465 32.500 0.074 0.000 0.716 462 K HN 0.222 nan 8.250 nan 0.000 0.444 463 V N 2.395 122.401 119.914 0.153 0.000 2.376 463 V HA 0.202 4.322 4.120 -0.001 0.000 0.287 463 V C -1.032 175.180 176.094 0.197 0.000 1.015 463 V CA -1.087 61.296 62.300 0.139 0.000 0.834 463 V CB 1.386 33.283 31.823 0.124 0.000 1.001 463 V HN 0.183 nan 8.190 nan 0.000 0.428 464 N N 2.856 121.641 118.700 0.143 0.000 2.424 464 N HA 0.487 5.226 4.740 -0.001 0.000 0.271 464 N C -0.155 175.585 175.510 0.384 0.000 0.985 464 N CA -0.046 53.116 53.050 0.186 0.000 0.921 464 N CB 2.247 40.661 38.487 -0.122 0.000 1.149 464 N HN 0.637 nan 8.380 nan 0.000 0.492 465 S N 0.950 116.910 115.700 0.433 0.000 2.786 465 S HA 0.359 4.829 4.470 -0.001 0.000 0.302 465 S C 1.010 175.846 174.600 0.393 0.000 1.080 465 S CA -0.553 57.991 58.200 0.573 0.000 0.925 465 S CB 0.294 63.719 63.200 0.375 0.000 1.325 465 S HN 0.402 nan 8.310 nan 0.000 0.576 466 F N 1.989 121.744 119.950 -0.323 0.000 2.126 466 F HA -0.046 4.481 4.527 -0.001 0.000 0.299 466 F C 1.945 177.512 175.800 -0.389 0.000 1.096 466 F CA 2.472 59.881 58.000 -0.984 0.000 1.255 466 F CB -0.595 37.540 39.000 -1.442 0.000 0.997 466 F HN 0.643 nan 8.300 nan 0.000 0.479 467 E N 0.158 120.199 120.200 -0.264 0.000 2.085 467 E HA -0.264 4.086 4.350 -0.001 0.000 0.194 467 E C 2.085 178.580 176.600 -0.175 0.000 0.994 467 E CA 1.755 58.005 56.400 -0.251 0.000 0.801 467 E CB -0.427 29.240 29.700 -0.055 0.000 0.743 467 E HN 0.435 nan 8.360 nan 0.000 0.453 468 Q N -0.076 119.725 119.800 0.001 0.000 2.084 468 Q HA -0.101 4.239 4.340 -0.001 0.000 0.202 468 Q C 2.093 178.144 176.000 0.084 0.000 0.978 468 Q CA 0.845 56.695 55.803 0.078 0.000 0.844 468 Q CB -0.330 28.528 28.738 0.199 0.000 0.898 468 Q HN 0.248 nan 8.270 nan 0.000 0.426 469 L N -0.424 120.812 121.223 0.022 0.000 2.046 469 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 469 L C 1.881 178.688 176.870 -0.106 0.000 1.077 469 L CA 1.768 56.494 54.840 -0.191 0.000 0.747 469 L CB -0.726 41.060 42.059 -0.454 0.000 0.896 469 L HN 0.291 nan 8.230 nan 0.000 0.432 470 C N -0.620 118.502 119.300 -0.298 0.000 2.440 470 C HA -0.080 4.380 4.460 -0.001 0.000 0.278 470 C C 2.703 177.736 174.990 0.073 0.000 1.295 470 C CA 0.722 59.673 59.018 -0.113 0.000 1.738 470 C CB -0.886 26.579 27.740 -0.459 0.000 1.987 470 C HN 0.592 nan 8.230 nan 0.000 0.492 471 I N 1.502 122.042 120.570 -0.050 0.000 2.163 471 I HA -0.180 3.989 4.170 -0.001 0.000 0.240 471 I C 2.095 178.221 176.117 0.015 0.000 1.081 471 I CA 1.447 62.735 61.300 -0.020 0.000 1.353 471 I CB -0.501 37.455 38.000 -0.074 0.000 1.054 471 I HN 0.341 nan 8.210 nan 0.000 0.407 472 N N 0.091 118.751 118.700 -0.066 0.000 2.289 472 N HA -0.235 4.504 4.740 -0.001 0.000 0.184 472 N C 1.696 177.326 175.510 0.200 0.000 1.016 472 N CA 1.116 54.090 53.050 -0.126 0.000 0.872 472 N CB -0.481 37.643 38.487 -0.605 0.000 0.973 472 N HN 0.448 nan 8.380 nan 0.000 0.433 473 Y N 1.719 122.114 120.300 0.159 0.000 2.263 473 Y HA -0.077 4.473 4.550 -0.001 0.000 0.292 473 Y C 2.070 178.074 175.900 0.173 0.000 1.130 473 Y CA 1.330 59.572 58.100 0.236 0.000 1.179 473 Y CB -0.664 37.898 38.460 0.170 0.000 0.998 473 Y HN -0.063 nan 8.280 nan 0.000 0.532 474 T N 1.221 115.777 114.554 0.002 0.000 2.708 474 T HA -0.188 4.162 4.350 -0.001 0.000 0.266 474 T C 1.739 176.396 174.700 -0.072 0.000 1.037 474 T CA 1.616 63.621 62.100 -0.157 0.000 1.146 474 T CB -0.354 68.525 68.868 0.017 0.000 0.865 474 T HN 0.475 nan 8.240 nan 0.000 0.435 475 N N 0.693 119.445 118.700 0.088 0.000 2.120 475 N HA -0.137 4.602 4.740 -0.001 0.000 0.188 475 N C 2.049 177.607 175.510 0.080 0.000 1.024 475 N CA 1.229 54.381 53.050 0.169 0.000 0.852 475 N CB -0.182 38.567 38.487 0.436 0.000 1.003 475 N HN 0.462 nan 8.380 nan 0.000 0.424 476 E N 1.523 121.856 120.200 0.222 0.000 2.110 476 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 476 E C 1.736 178.298 176.600 -0.063 0.000 0.988 476 E CA 1.211 57.680 56.400 0.114 0.000 0.804 476 E CB 0.190 30.152 29.700 0.437 0.000 0.745 476 E HN 0.148 nan 8.360 nan 0.000 0.458 477 K N -0.091 120.246 120.400 -0.105 0.000 2.097 477 K HA -0.118 4.202 4.320 -0.001 0.000 0.205 477 K C 2.152 178.724 176.600 -0.047 0.000 1.050 477 K CA 0.822 57.032 56.287 -0.128 0.000 0.938 477 K CB -0.355 31.961 32.500 -0.307 0.000 0.718 477 K HN 0.210 nan 8.250 nan 0.000 0.442 478 L N 1.894 123.075 121.223 -0.069 0.000 2.056 478 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 478 L C 2.487 179.398 176.870 0.069 0.000 1.078 478 L CA 1.783 56.638 54.840 0.024 0.000 0.749 478 L CB -0.585 41.468 42.059 -0.009 0.000 0.901 478 L HN 0.103 nan 8.230 nan 0.000 0.433 479 Q N -0.760 118.947 119.800 -0.155 0.000 2.124 479 Q HA -0.259 4.081 4.340 -0.001 0.000 0.202 479 Q C 2.259 178.250 176.000 -0.015 0.000 0.977 479 Q CA 1.876 57.538 55.803 -0.235 0.000 0.850 479 Q CB -0.312 27.940 28.738 -0.810 0.000 0.901 479 Q HN 0.575 nan 8.270 nan 0.000 0.429 480 Q N -0.895 118.910 119.800 0.009 0.000 2.119 480 Q HA -0.089 4.251 4.340 -0.001 0.000 0.201 480 Q C 1.592 177.715 176.000 0.205 0.000 0.972 480 Q CA 1.449 57.310 55.803 0.097 0.000 0.847 480 Q CB -0.561 28.223 28.738 0.076 0.000 0.903 480 Q HN 0.507 nan 8.270 nan 0.000 0.433 481 F N -0.331 119.683 119.950 0.106 0.000 2.171 481 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 481 F C 1.742 177.718 175.800 0.293 0.000 1.090 481 F CA 1.365 59.504 58.000 0.232 0.000 1.293 481 F CB -0.464 38.656 39.000 0.199 0.000 1.013 481 F HN 0.256 nan 8.300 nan 0.000 0.486 482 F N 1.260 121.219 119.950 0.015 0.000 2.102 482 F HA -0.220 4.306 4.527 -0.001 0.000 0.298 482 F C 2.184 177.763 175.800 -0.368 0.000 1.105 482 F CA 1.950 59.610 58.000 -0.567 0.000 1.239 482 F CB -0.822 37.702 39.000 -0.794 0.000 0.991 482 F HN -0.112 nan 8.300 nan 0.000 0.474 483 N N -0.095 118.599 118.700 -0.010 0.000 2.043 483 N HA -0.267 4.472 4.740 -0.001 0.000 0.193 483 N C 2.095 177.617 175.510 0.020 0.000 1.037 483 N CA 1.783 54.920 53.050 0.146 0.000 0.851 483 N CB -1.232 37.387 38.487 0.220 0.000 1.027 483 N HN 0.520 nan 8.380 nan 0.000 0.422 484 H N 0.355 119.360 119.070 -0.108 0.000 2.289 484 H HA -0.139 4.417 4.556 -0.001 0.000 0.296 484 H C 1.754 176.844 175.328 -0.397 0.000 1.091 484 H CA 1.715 57.648 56.048 -0.193 0.000 1.274 484 H CB -0.024 29.637 29.762 -0.170 0.000 1.364 484 H HN 0.409 nan 8.280 nan 0.000 0.490 485 H N -0.595 118.129 119.070 -0.577 0.000 2.357 485 H HA -0.100 4.456 4.556 -0.001 0.000 0.301 485 H C 2.529 177.438 175.328 -0.698 0.000 1.082 485 H CA 1.230 56.900 56.048 -0.629 0.000 1.342 485 H CB 0.264 29.730 29.762 -0.492 0.000 1.389 485 H HN 0.382 nan 8.280 nan 0.000 0.511 486 M N -0.319 118.723 119.600 -0.930 0.000 2.236 486 M HA -0.065 4.415 4.480 -0.001 0.000 0.266 486 M C 1.464 177.009 176.300 -1.258 0.000 1.070 486 M CA 1.342 55.839 55.300 -1.338 0.000 1.137 486 M CB -0.319 30.821 32.600 -2.433 0.000 1.378 486 M HN 0.163 nan 8.290 nan 0.000 0.426 487 F N -0.779 118.857 119.950 -0.522 0.000 2.549 487 F HA 0.190 4.717 4.527 -0.000 0.000 0.275 487 F C 2.697 178.345 175.800 -0.254 0.000 0.990 487 F CA 0.738 58.509 58.000 -0.382 0.000 1.274 487 F CB -1.266 37.555 39.000 -0.299 0.000 1.064 487 F HN -0.054 nan 8.300 nan 0.000 0.715 488 K N 1.594 121.953 120.400 -0.069 0.000 1.973 488 K HA 0.075 4.395 4.320 -0.001 0.000 0.212 488 K C 2.264 178.697 176.600 -0.278 0.000 1.047 488 K CA 1.991 58.220 56.287 -0.096 0.000 0.937 488 K CB -1.717 30.773 32.500 -0.017 0.000 0.721 488 K HN 0.205 nan 8.250 nan 0.000 0.440 489 V N 1.139 120.706 119.914 -0.579 0.000 2.343 489 V HA -0.252 3.868 4.120 -0.001 0.000 0.247 489 V C 2.466 178.280 176.094 -0.467 0.000 1.051 489 V CA 3.009 64.981 62.300 -0.547 0.000 1.036 489 V CB -0.626 30.737 31.823 -0.766 0.000 0.654 489 V HN 0.537 nan 8.190 nan 0.000 0.451 490 E N 0.270 120.150 120.200 -0.534 0.000 2.033 490 E HA -0.252 4.097 4.350 -0.001 0.000 0.199 490 E C 2.296 178.239 176.600 -1.095 0.000 1.011 490 E CA 2.004 57.966 56.400 -0.731 0.000 0.815 490 E CB -0.394 28.926 29.700 -0.633 0.000 0.755 490 E HN 0.826 nan 8.360 nan 0.000 0.451 491 Q N -0.061 119.312 119.800 -0.710 0.000 2.096 491 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 491 Q C 2.226 178.020 176.000 -0.344 0.000 0.982 491 Q CA 1.528 56.971 55.803 -0.601 0.000 0.850 491 Q CB -0.241 28.521 28.738 0.040 0.000 0.901 491 Q HN 0.417 nan 8.270 nan 0.000 0.422 492 E N 0.548 120.624 120.200 -0.207 0.000 2.085 492 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 492 E C 2.295 178.823 176.600 -0.119 0.000 0.994 492 E CA 1.593 57.931 56.400 -0.104 0.000 0.801 492 E CB -0.135 29.509 29.700 -0.092 0.000 0.743 492 E HN 0.543 nan 8.360 nan 0.000 0.453 493 E N 0.924 120.992 120.200 -0.220 0.000 2.038 493 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 493 E C 1.779 178.403 176.600 0.039 0.000 1.000 493 E CA 1.612 57.969 56.400 -0.070 0.000 0.803 493 E CB -1.199 28.479 29.700 -0.037 0.000 0.750 493 E HN 0.276 nan 8.360 nan 0.000 0.448 494 Y N 0.638 120.804 120.300 -0.222 0.000 2.069 494 Y HA -0.167 4.382 4.550 -0.001 0.000 0.278 494 Y C 2.562 178.355 175.900 -0.177 0.000 1.175 494 Y CA 1.335 59.211 58.100 -0.373 0.000 1.134 494 Y CB -1.131 36.955 38.460 -0.622 0.000 0.965 494 Y HN 0.175 nan 8.280 nan 0.000 0.498 495 L N -0.366 120.934 121.223 0.130 0.000 2.093 495 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 495 L C 2.710 179.628 176.870 0.080 0.000 1.085 495 L CA 1.735 56.667 54.840 0.152 0.000 0.755 495 L CB -1.084 41.090 42.059 0.193 0.000 0.904 495 L HN 0.193 nan 8.230 nan 0.000 0.435 496 K N 0.147 120.578 120.400 0.051 0.000 1.978 496 K HA -0.175 4.145 4.320 -0.001 0.000 0.214 496 K C 1.839 178.471 176.600 0.053 0.000 1.049 496 K CA 1.593 57.907 56.287 0.046 0.000 0.939 496 K CB -0.945 31.578 32.500 0.039 0.000 0.721 496 K HN 0.222 nan 8.250 nan 0.000 0.441 497 E N 0.384 120.618 120.200 0.055 0.000 2.533 497 E HA -0.052 4.298 4.350 -0.001 0.000 0.203 497 E C -0.293 176.298 176.600 -0.014 0.000 1.101 497 E CA 0.329 56.758 56.400 0.049 0.000 0.894 497 E CB -0.449 29.314 29.700 0.104 0.000 0.843 497 E HN 0.537 nan 8.360 nan 0.000 0.552 498 K N 0.042 120.444 120.400 0.003 0.000 3.490 498 K HA -0.210 4.109 4.320 -0.001 0.000 0.273 498 K C 0.532 177.115 176.600 -0.029 0.000 0.916 498 K CA -0.015 56.282 56.287 0.017 0.000 0.718 498 K CB -1.300 31.226 32.500 0.042 0.000 1.477 498 K HN 0.130 nan 8.250 nan 0.000 0.452 499 I N 0.755 121.253 120.570 -0.120 0.000 3.812 499 I HA -0.026 4.143 4.170 -0.001 0.000 0.320 499 I C 0.081 176.152 176.117 -0.077 0.000 1.276 499 I CA 0.529 61.698 61.300 -0.218 0.000 1.164 499 I CB -0.235 37.382 38.000 -0.637 0.000 1.009 499 I HN 0.507 nan 8.210 nan 0.000 0.431 500 N N -0.556 118.163 118.700 0.032 0.000 2.862 500 N HA -0.222 4.518 4.740 -0.001 0.000 0.246 500 N C -0.478 175.116 175.510 0.140 0.000 1.111 500 N CA 0.101 53.195 53.050 0.075 0.000 0.688 500 N CB -1.201 37.313 38.487 0.044 0.000 1.018 500 N HN 0.478 nan 8.380 nan 0.000 0.556 501 W N 1.793 123.097 121.300 0.007 0.000 2.287 501 W HA 0.342 5.002 4.660 -0.000 0.000 0.313 501 W C -0.535 176.053 176.519 0.114 0.000 1.267 501 W CA 0.162 57.550 57.345 0.071 0.000 1.201 501 W CB 0.943 30.485 29.460 0.137 0.000 1.196 501 W HN -0.045 nan 8.180 nan 0.000 0.536 502 T N 8.230 122.491 114.554 -0.489 0.000 2.733 502 T HA 0.131 4.481 4.350 -0.001 0.000 0.294 502 T C -0.364 174.041 174.700 -0.493 0.000 0.956 502 T CA -0.361 61.557 62.100 -0.303 0.000 0.987 502 T CB 0.016 68.760 68.868 -0.206 0.000 0.920 502 T HN 0.262 nan 8.240 nan 0.000 0.470 503 F N 5.421 125.311 119.950 -0.101 0.000 2.623 503 F HA 0.258 4.784 4.527 -0.001 0.000 0.383 503 F C -0.204 175.586 175.800 -0.017 0.000 1.077 503 F CA -0.186 57.903 58.000 0.149 0.000 1.268 503 F CB 0.099 39.209 39.000 0.184 0.000 1.053 503 F HN 0.431 nan 8.300 nan 0.000 0.571 504 I N 5.492 125.523 120.570 -0.899 0.000 2.493 504 I HA 0.188 4.358 4.170 -0.001 0.000 0.298 504 I C -0.707 174.602 176.117 -1.346 0.000 0.998 504 I CA -0.917 59.813 61.300 -0.951 0.000 1.137 504 I CB 1.582 39.015 38.000 -0.946 0.000 1.310 504 I HN 0.442 nan 8.210 nan 0.000 0.445 505 D N 5.195 125.152 120.400 -0.739 0.000 2.428 505 D HA 0.201 4.841 4.640 -0.001 0.000 0.221 505 D C 0.477 176.504 176.300 -0.456 0.000 1.123 505 D CA -0.244 53.534 54.000 -0.370 0.000 0.869 505 D CB 0.572 41.369 40.800 -0.006 0.000 1.032 505 D HN 0.290 nan 8.370 nan 0.000 0.506 506 F N 2.016 121.809 119.950 -0.262 0.000 2.641 506 F HA 0.108 4.635 4.527 -0.001 0.000 0.298 506 F C 2.351 178.005 175.800 -0.243 0.000 1.146 506 F CA 0.767 58.567 58.000 -0.334 0.000 1.464 506 F CB -0.109 38.456 39.000 -0.724 0.000 1.101 506 F HN 0.641 nan 8.300 nan 0.000 0.585 507 G N 0.747 109.519 108.800 -0.046 0.000 2.155 507 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.257 507 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.257 507 G C -0.007 174.886 174.900 -0.012 0.000 0.983 507 G CA 0.022 45.111 45.100 -0.017 0.000 0.676 507 G HN 0.317 nan 8.290 nan 0.000 0.528 508 L N 0.730 121.923 121.223 -0.050 0.000 2.298 508 L HA 0.698 5.037 4.340 -0.001 0.000 0.284 508 L C -0.755 176.128 176.870 0.022 0.000 1.013 508 L CA -0.767 54.056 54.840 -0.029 0.000 0.824 508 L CB 1.905 43.908 42.059 -0.092 0.000 1.221 508 L HN 0.087 nan 8.230 nan 0.000 0.418 509 D N 1.115 121.551 120.400 0.060 0.000 2.548 509 D HA 0.136 4.776 4.640 -0.001 0.000 0.214 509 D C -0.300 176.057 176.300 0.094 0.000 1.345 509 D CA -0.210 53.839 54.000 0.081 0.000 0.945 509 D CB 2.041 42.889 40.800 0.081 0.000 1.499 509 D HN 0.251 nan 8.370 nan 0.000 0.579 510 S N 2.152 117.912 115.700 0.099 0.000 2.605 510 S HA -0.049 4.421 4.470 -0.001 0.000 0.217 510 S C 1.453 176.123 174.600 0.116 0.000 0.958 510 S CA -0.089 58.183 58.200 0.120 0.000 0.919 510 S CB 0.513 63.770 63.200 0.096 0.000 0.780 510 S HN 0.391 nan 8.310 nan 0.000 0.507 511 Q N 2.710 122.568 119.800 0.097 0.000 2.061 511 Q HA 0.005 4.345 4.340 -0.001 0.000 0.204 511 Q C 2.145 178.198 176.000 0.089 0.000 0.984 511 Q CA 2.017 57.873 55.803 0.088 0.000 0.846 511 Q CB -0.666 28.116 28.738 0.073 0.000 0.902 511 Q HN 0.524 nan 8.270 nan 0.000 0.421 512 A N -0.997 121.873 122.820 0.083 0.000 1.940 512 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 512 A C 2.276 179.904 177.584 0.073 0.000 1.176 512 A CA 2.064 54.144 52.037 0.073 0.000 0.631 512 A CB -0.941 18.101 19.000 0.070 0.000 0.814 512 A HN 0.480 nan 8.150 nan 0.000 0.446 513 T N 0.072 114.685 114.554 0.098 0.000 2.812 513 T HA -0.011 4.339 4.350 -0.001 0.000 0.264 513 T C 1.797 176.580 174.700 0.138 0.000 1.042 513 T CA 1.260 63.422 62.100 0.103 0.000 1.140 513 T CB -0.343 68.609 68.868 0.140 0.000 0.870 513 T HN 0.421 nan 8.240 nan 0.000 0.445 514 I N 1.430 122.105 120.570 0.175 0.000 2.163 514 I HA -0.208 3.961 4.170 -0.001 0.000 0.243 514 I C 2.276 178.494 176.117 0.169 0.000 1.085 514 I CA 1.290 62.730 61.300 0.233 0.000 1.347 514 I CB -0.373 37.741 38.000 0.190 0.000 1.044 514 I HN 0.157 nan 8.210 nan 0.000 0.408 515 D N 0.699 121.159 120.400 0.100 0.000 2.097 515 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 515 D C 2.007 178.307 176.300 -0.001 0.000 0.989 515 D CA 1.040 55.075 54.000 0.057 0.000 0.827 515 D CB -0.447 40.385 40.800 0.053 0.000 0.966 515 D HN 0.183 nan 8.370 nan 0.000 0.456 516 L N 0.628 121.825 121.223 -0.044 0.000 2.043 516 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 516 L C 1.969 178.706 176.870 -0.222 0.000 1.075 516 L CA 1.566 56.283 54.840 -0.204 0.000 0.752 516 L CB -0.374 41.581 42.059 -0.174 0.000 0.891 516 L HN 0.027 nan 8.230 nan 0.000 0.432 517 I N -0.279 120.239 120.570 -0.087 0.000 2.296 517 I HA -0.112 4.058 4.170 -0.001 0.000 0.242 517 I C 1.434 177.452 176.117 -0.163 0.000 1.087 517 I CA 1.319 62.550 61.300 -0.116 0.000 1.393 517 I CB -0.382 37.553 38.000 -0.109 0.000 1.093 517 I HN 0.399 nan 8.210 nan 0.000 0.421 518 D N 0.423 120.751 120.400 -0.121 0.000 2.395 518 D HA 0.086 4.726 4.640 -0.001 0.000 0.213 518 D C 0.844 177.147 176.300 0.005 0.000 1.110 518 D CA -0.137 53.809 54.000 -0.091 0.000 0.835 518 D CB -0.395 40.380 40.800 -0.043 0.000 0.965 518 D HN 0.092 nan 8.370 nan 0.000 0.505 519 G N 0.368 109.178 108.800 0.016 0.000 2.491 519 G HA2 0.107 4.067 3.960 -0.001 0.000 0.238 519 G HA3 0.107 4.067 3.960 -0.001 0.000 0.238 519 G C 0.572 175.499 174.900 0.046 0.000 1.277 519 G CA -0.546 44.579 45.100 0.041 0.000 0.851 519 G HN 0.116 nan 8.290 nan 0.000 0.573 520 R N -0.059 120.468 120.500 0.046 0.000 2.062 520 R HA 0.111 4.450 4.340 -0.001 0.000 0.218 520 R C 0.515 176.842 176.300 0.045 0.000 1.161 520 R CA 0.662 56.786 56.100 0.040 0.000 0.994 520 R CB 0.171 30.491 30.300 0.034 0.000 0.888 520 R HN 0.538 nan 8.270 nan 0.000 0.442 521 Q N 1.089 120.917 119.800 0.047 0.000 2.275 521 Q HA 0.312 4.651 4.340 -0.001 0.000 0.266 521 Q C -2.527 173.507 176.000 0.056 0.000 1.002 521 Q CA -1.845 53.987 55.803 0.049 0.000 0.761 521 Q CB 1.792 30.551 28.738 0.035 0.000 1.255 521 Q HN 0.002 nan 8.270 nan 0.000 0.446 522 P HA 0.256 nan 4.420 nan 0.000 0.270 522 P C -2.663 174.708 177.300 0.119 0.000 1.223 522 P CA -1.155 62.004 63.100 0.098 0.000 0.785 522 P CB -0.229 31.548 31.700 0.129 0.000 0.923 523 P HA 0.099 nan 4.420 nan 0.000 0.271 523 P C 0.350 177.770 177.300 0.200 0.000 1.216 523 P CA 0.275 63.429 63.100 0.090 0.000 0.771 523 P CB 0.669 32.373 31.700 0.006 0.000 0.864 524 G N 2.023 110.907 108.800 0.140 0.000 2.543 524 G HA2 0.266 4.226 3.960 -0.001 0.000 0.267 524 G HA3 0.266 4.226 3.960 -0.001 0.000 0.267 524 G C 1.130 176.116 174.900 0.143 0.000 1.406 524 G CA -0.791 44.382 45.100 0.122 0.000 1.048 524 G HN 0.390 nan 8.290 nan 0.000 0.548 525 I N -0.195 120.367 120.570 -0.013 0.000 2.202 525 I HA -0.115 4.055 4.170 -0.001 0.000 0.242 525 I C 2.669 178.830 176.117 0.072 0.000 1.091 525 I CA 0.862 62.189 61.300 0.046 0.000 1.368 525 I CB -0.206 37.795 38.000 0.001 0.000 1.058 525 I HN 0.263 nan 8.210 nan 0.000 0.410 526 L N 0.459 121.707 121.223 0.041 0.000 2.093 526 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 526 L C 2.881 179.779 176.870 0.047 0.000 1.085 526 L CA 1.227 56.105 54.840 0.063 0.000 0.755 526 L CB -0.819 41.242 42.059 0.003 0.000 0.904 526 L HN 0.240 nan 8.230 nan 0.000 0.435 527 A N 0.539 123.374 122.820 0.026 0.000 1.877 527 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 527 A C 2.246 179.821 177.584 -0.015 0.000 1.186 527 A CA 1.444 53.487 52.037 0.011 0.000 0.620 527 A CB -0.733 18.274 19.000 0.012 0.000 0.822 527 A HN 0.351 nan 8.150 nan 0.000 0.443 528 L N -0.961 120.238 121.223 -0.041 0.000 2.083 528 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 528 L C 2.558 179.399 176.870 -0.048 0.000 1.083 528 L CA 1.169 55.945 54.840 -0.107 0.000 0.752 528 L CB -0.548 41.380 42.059 -0.217 0.000 0.899 528 L HN 0.510 nan 8.230 nan 0.000 0.433 529 L N -0.348 120.882 121.223 0.012 0.000 2.093 529 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 529 L C 1.957 178.842 176.870 0.025 0.000 1.085 529 L CA 1.812 56.679 54.840 0.045 0.000 0.755 529 L CB -0.538 41.597 42.059 0.127 0.000 0.904 529 L HN 0.121 nan 8.230 nan 0.000 0.435 530 D N -0.272 120.142 120.400 0.024 0.000 2.097 530 D HA -0.229 4.410 4.640 -0.001 0.000 0.195 530 D C 2.040 178.354 176.300 0.024 0.000 0.989 530 D CA 1.524 55.540 54.000 0.025 0.000 0.827 530 D CB -0.008 40.810 40.800 0.031 0.000 0.966 530 D HN 0.599 nan 8.370 nan 0.000 0.456 531 E N 0.271 120.473 120.200 0.004 0.000 2.031 531 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 531 E C 1.918 178.538 176.600 0.033 0.000 0.994 531 E CA 0.962 57.358 56.400 -0.007 0.000 0.800 531 E CB 0.117 29.781 29.700 -0.059 0.000 0.752 531 E HN 0.168 nan 8.360 nan 0.000 0.447 532 Q N 0.151 119.969 119.800 0.031 0.000 2.170 532 Q HA -0.094 4.246 4.340 -0.001 0.000 0.203 532 Q C 2.344 178.425 176.000 0.136 0.000 0.976 532 Q CA 1.191 57.060 55.803 0.111 0.000 0.858 532 Q CB -0.067 28.708 28.738 0.063 0.000 0.907 532 Q HN 0.211 nan 8.270 nan 0.000 0.433 533 S N 0.526 116.271 115.700 0.075 0.000 2.447 533 S HA -0.082 4.388 4.470 -0.001 0.000 0.233 533 S C 1.695 176.336 174.600 0.069 0.000 1.006 533 S CA 1.135 59.367 58.200 0.054 0.000 0.957 533 S CB 0.052 63.267 63.200 0.024 0.000 0.773 533 S HN 0.391 nan 8.310 nan 0.000 0.507 534 V N -1.557 118.415 119.914 0.098 0.000 3.121 534 V HA 0.505 4.625 4.120 -0.001 0.000 0.344 534 V C -0.334 175.860 176.094 0.166 0.000 1.390 534 V CA -0.691 61.666 62.300 0.094 0.000 1.177 534 V CB -0.739 31.125 31.823 0.068 0.000 1.163 534 V HN 0.253 nan 8.190 nan 0.000 0.484 535 F N 3.443 123.387 119.950 -0.011 0.000 2.388 535 F HA 0.715 5.241 4.527 -0.001 0.000 0.358 535 F C -1.468 174.326 175.800 -0.010 0.000 1.122 535 F CA -3.064 54.929 58.000 -0.013 0.000 1.056 535 F CB 2.234 41.224 39.000 -0.017 0.000 1.155 535 F HN -0.035 nan 8.300 nan 0.000 0.461 536 P HA -0.162 nan 4.420 nan 0.000 0.218 536 P C 0.259 177.220 177.300 -0.566 0.000 1.148 536 P CA 1.426 64.268 63.100 -0.430 0.000 0.822 536 P CB 0.277 31.808 31.700 -0.283 0.000 0.784 537 N N -0.858 117.184 118.700 -1.097 0.000 2.235 537 N HA 0.207 4.946 4.740 -0.001 0.000 0.209 537 N C 0.458 175.715 175.510 -0.421 0.000 1.122 537 N CA -0.083 52.575 53.050 -0.653 0.000 0.845 537 N CB 0.081 38.221 38.487 -0.578 0.000 1.004 537 N HN 0.104 nan 8.380 nan 0.000 0.499 538 A N 0.879 123.487 122.820 -0.352 0.000 2.386 538 A HA 0.498 4.817 4.320 -0.001 0.000 0.248 538 A C 0.848 178.428 177.584 -0.007 0.000 1.082 538 A CA 0.058 52.119 52.037 0.039 0.000 0.789 538 A CB 0.222 19.338 19.000 0.193 0.000 1.025 538 A HN 0.269 nan 8.150 nan 0.000 0.490 539 T N -1.872 112.696 114.554 0.024 0.000 2.865 539 T HA 0.454 4.803 4.350 -0.001 0.000 0.294 539 T C -0.033 174.673 174.700 0.010 0.000 1.119 539 T CA -0.445 61.658 62.100 0.005 0.000 1.007 539 T CB 1.203 70.070 68.868 -0.003 0.000 1.225 539 T HN 0.395 nan 8.240 nan 0.000 0.515 540 D N 0.430 120.834 120.400 0.006 0.000 2.178 540 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 540 D C 1.769 178.050 176.300 -0.031 0.000 0.980 540 D CA 1.301 55.298 54.000 -0.006 0.000 0.842 540 D CB -0.219 40.582 40.800 0.001 0.000 0.948 540 D HN 0.683 nan 8.370 nan 0.000 0.472 541 N N 0.261 118.950 118.700 -0.018 0.000 2.188 541 N HA -0.126 4.614 4.740 -0.001 0.000 0.184 541 N C 1.844 177.338 175.510 -0.025 0.000 1.018 541 N CA 1.528 54.565 53.050 -0.023 0.000 0.858 541 N CB -0.314 38.169 38.487 -0.008 0.000 0.989 541 N HN 0.240 nan 8.380 nan 0.000 0.426 542 T N 0.044 114.595 114.554 -0.004 0.000 2.904 542 T HA -0.026 4.323 4.350 -0.001 0.000 0.267 542 T C 1.981 176.666 174.700 -0.026 0.000 1.059 542 T CA 0.248 62.353 62.100 0.008 0.000 1.137 542 T CB -0.323 68.585 68.868 0.068 0.000 0.879 542 T HN 0.074 nan 8.240 nan 0.000 0.467 543 L N 0.959 122.161 121.223 -0.036 0.000 1.994 543 L HA 0.183 4.523 4.340 -0.001 0.000 0.208 543 L C 2.370 179.142 176.870 -0.164 0.000 1.071 543 L CA 1.565 56.360 54.840 -0.075 0.000 0.745 543 L CB -0.954 41.079 42.059 -0.043 0.000 0.892 543 L HN 0.293 nan 8.230 nan 0.000 0.431 544 I N -0.770 119.683 120.570 -0.194 0.000 2.286 544 I HA -0.298 3.872 4.170 -0.001 0.000 0.248 544 I C 2.147 178.017 176.117 -0.412 0.000 1.115 544 I CA 2.037 63.134 61.300 -0.339 0.000 1.392 544 I CB -0.378 37.447 38.000 -0.292 0.000 1.065 544 I HN 0.383 nan 8.210 nan 0.000 0.418 545 T N 0.273 114.707 114.554 -0.199 0.000 2.746 545 T HA -0.253 4.096 4.350 -0.001 0.000 0.267 545 T C 1.891 176.541 174.700 -0.083 0.000 1.039 545 T CA 1.845 63.890 62.100 -0.091 0.000 1.142 545 T CB -0.263 68.592 68.868 -0.022 0.000 0.866 545 T HN 0.346 nan 8.240 nan 0.000 0.444 546 K N 0.812 121.144 120.400 -0.113 0.000 2.057 546 K HA 0.035 4.355 4.320 -0.001 0.000 0.206 546 K C 2.175 178.665 176.600 -0.183 0.000 1.050 546 K CA 0.948 57.168 56.287 -0.112 0.000 0.935 546 K CB -0.331 32.085 32.500 -0.139 0.000 0.715 546 K HN 0.263 nan 8.250 nan 0.000 0.439 547 L N 0.275 121.351 121.223 -0.245 0.000 2.017 547 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 547 L C 2.561 179.314 176.870 -0.195 0.000 1.073 547 L CA 1.278 55.968 54.840 -0.248 0.000 0.745 547 L CB -0.795 41.105 42.059 -0.264 0.000 0.894 547 L HN 0.361 nan 8.230 nan 0.000 0.432 548 H N -0.875 118.168 119.070 -0.045 0.000 2.319 548 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 548 H C 2.618 177.875 175.328 -0.118 0.000 1.092 548 H CA 1.659 57.712 56.048 0.010 0.000 1.302 548 H CB -0.605 29.209 29.762 0.086 0.000 1.373 548 H HN 0.291 nan 8.280 nan 0.000 0.497 549 S N 0.127 115.833 115.700 0.011 0.000 2.400 549 S HA -0.190 4.279 4.470 -0.001 0.000 0.232 549 S C 1.883 176.338 174.600 -0.242 0.000 1.025 549 S CA 1.180 59.334 58.200 -0.076 0.000 0.993 549 S CB -0.271 62.896 63.200 -0.055 0.000 0.808 549 S HN 0.583 nan 8.310 nan 0.000 0.478 550 H N -1.623 117.105 119.070 -0.570 0.000 2.448 550 H HA 0.117 4.672 4.556 -0.001 0.000 0.292 550 H C 0.829 175.585 175.328 -0.954 0.000 1.035 550 H CA 1.346 56.851 56.048 -0.905 0.000 1.349 550 H CB 0.128 28.910 29.762 -1.633 0.000 1.425 550 H HN 0.548 nan 8.280 nan 0.000 0.539 551 F N -0.310 119.465 119.950 -0.291 0.000 2.740 551 F HA 0.149 4.676 4.527 -0.001 0.000 0.304 551 F C 1.293 176.951 175.800 -0.236 0.000 1.098 551 F CA -0.325 57.406 58.000 -0.448 0.000 1.258 551 F CB -0.056 38.255 39.000 -1.148 0.000 1.061 551 F HN -0.221 nan 8.300 nan 0.000 0.598 552 S N 1.770 117.483 115.700 0.021 0.000 2.546 552 S HA 0.073 4.543 4.470 -0.001 0.000 0.290 552 S C 0.836 175.506 174.600 0.117 0.000 1.262 552 S CA -0.010 58.311 58.200 0.202 0.000 1.083 552 S CB -0.297 62.986 63.200 0.139 0.000 0.859 552 S HN 0.455 nan 8.310 nan 0.000 0.495 553 K N 2.320 122.806 120.400 0.145 0.000 3.193 553 K HA -0.219 4.100 4.320 -0.001 0.000 0.294 553 K C 0.595 177.239 176.600 0.073 0.000 1.185 553 K CA 1.672 58.013 56.287 0.089 0.000 0.866 553 K CB -1.195 31.335 32.500 0.050 0.000 1.227 553 K HN 0.665 nan 8.250 nan 0.000 0.467 554 K N -0.773 119.685 120.400 0.097 0.000 2.548 554 K HA 0.098 4.418 4.320 -0.001 0.000 0.209 554 K C -0.021 176.655 176.600 0.127 0.000 1.420 554 K CA -0.248 56.088 56.287 0.082 0.000 0.985 554 K CB 0.529 33.056 32.500 0.044 0.000 1.249 554 K HN 0.099 nan 8.250 nan 0.000 0.557 555 N N 0.698 119.507 118.700 0.182 0.000 2.407 555 N HA 0.224 4.963 4.740 -0.001 0.000 0.277 555 N C 0.177 175.792 175.510 0.176 0.000 0.995 555 N CA 0.094 53.249 53.050 0.176 0.000 0.903 555 N CB 1.941 40.532 38.487 0.174 0.000 1.218 555 N HN 0.063 nan 8.380 nan 0.000 0.487 556 A N 3.965 126.860 122.820 0.126 0.000 2.024 556 A HA -0.109 4.211 4.320 -0.001 0.000 0.220 556 A C 1.503 179.158 177.584 0.117 0.000 1.164 556 A CA 1.315 53.418 52.037 0.111 0.000 0.643 556 A CB -0.033 19.016 19.000 0.083 0.000 0.806 556 A HN 0.589 nan 8.150 nan 0.000 0.451 557 K N -1.654 118.819 120.400 0.121 0.000 2.417 557 K HA 0.169 4.489 4.320 -0.001 0.000 0.196 557 K C -0.648 176.045 176.600 0.155 0.000 1.023 557 K CA -0.015 56.336 56.287 0.107 0.000 1.122 557 K CB -0.242 32.303 32.500 0.075 0.000 0.850 557 K HN 0.603 nan 8.250 nan 0.000 0.521 558 Y N 0.819 121.165 120.300 0.076 0.000 2.468 558 Y HA 0.355 4.904 4.550 -0.000 0.000 0.342 558 Y C -0.935 175.059 175.900 0.156 0.000 1.021 558 Y CA -1.240 56.939 58.100 0.133 0.000 1.079 558 Y CB 1.619 40.161 38.460 0.136 0.000 1.226 558 Y HN -0.005 nan 8.280 nan 0.000 0.460 559 E N 4.282 124.301 120.200 -0.301 0.000 2.292 559 E HA 0.223 4.573 4.350 -0.001 0.000 0.272 559 E C -1.830 174.640 176.600 -0.218 0.000 0.881 559 E CA -0.801 55.542 56.400 -0.094 0.000 0.754 559 E CB 1.472 31.155 29.700 -0.028 0.000 1.201 559 E HN 0.748 nan 8.360 nan 0.000 0.425 560 E N 6.034 126.218 120.200 -0.027 0.000 2.081 560 E HA 0.329 4.679 4.350 -0.001 0.000 0.281 560 E C -2.167 174.299 176.600 -0.225 0.000 0.986 560 E CA -2.216 54.073 56.400 -0.186 0.000 0.796 560 E CB 0.903 30.359 29.700 -0.407 0.000 1.085 560 E HN 0.263 nan 8.360 nan 0.000 0.398 561 P HA 0.127 nan 4.420 nan 0.000 0.275 561 P C -0.336 176.691 177.300 -0.455 0.000 1.228 561 P CA -0.242 62.580 63.100 -0.462 0.000 0.786 561 P CB 0.970 31.968 31.700 -1.171 0.000 0.927 562 R N 1.140 121.477 120.500 -0.271 0.000 2.310 562 R HA 0.101 4.441 4.340 -0.001 0.000 0.202 562 R C 1.121 177.358 176.300 -0.106 0.000 0.933 562 R CA 0.782 56.799 56.100 -0.138 0.000 1.054 562 R CB -0.424 29.878 30.300 0.003 0.000 0.985 562 R HN 0.547 nan 8.270 nan 0.000 0.489 563 F N -2.122 117.828 119.950 -0.000 0.000 2.695 563 F HA 0.426 4.952 4.527 -0.000 0.000 0.303 563 F C 0.297 176.105 175.800 0.013 0.000 1.091 563 F CA -0.785 57.218 58.000 0.004 0.000 1.300 563 F CB 0.411 39.410 39.000 -0.001 0.000 1.071 563 F HN -0.259 nan 8.300 nan 0.000 0.578 564 S N 0.058 115.471 115.700 -0.478 0.000 2.556 564 S HA 0.423 4.892 4.470 -0.001 0.000 0.271 564 S C 0.034 174.547 174.600 -0.145 0.000 1.135 564 S CA -0.773 57.304 58.200 -0.205 0.000 0.858 564 S CB 1.606 64.673 63.200 -0.221 0.000 1.114 564 S HN 0.190 nan 8.310 nan 0.000 0.468 565 K N 1.111 121.494 120.400 -0.028 0.000 2.355 565 K HA 0.125 4.444 4.320 -0.001 0.000 0.198 565 K C 0.895 177.529 176.600 0.057 0.000 1.039 565 K CA 0.592 56.898 56.287 0.033 0.000 1.075 565 K CB 0.596 33.116 32.500 0.032 0.000 0.870 565 K HN 0.769 nan 8.250 nan 0.000 0.540 566 T N -1.727 112.843 114.554 0.026 0.000 3.129 566 T HA 0.261 4.610 4.350 -0.001 0.000 0.267 566 T C 0.108 174.817 174.700 0.014 0.000 1.018 566 T CA -0.396 61.711 62.100 0.011 0.000 0.903 566 T CB 0.254 69.125 68.868 0.004 0.000 1.067 566 T HN -0.038 nan 8.240 nan 0.000 0.549 567 E N 0.940 121.166 120.200 0.044 0.000 2.343 567 E HA 0.643 4.993 4.350 -0.001 0.000 0.270 567 E C -1.480 175.217 176.600 0.162 0.000 0.895 567 E CA -1.233 55.191 56.400 0.040 0.000 0.767 567 E CB 2.213 31.908 29.700 -0.009 0.000 1.248 567 E HN 0.413 nan 8.360 nan 0.000 0.440 568 F N -1.550 118.399 119.950 -0.001 0.000 2.599 568 F HA 0.787 5.314 4.527 -0.001 0.000 0.311 568 F C -0.303 175.456 175.800 -0.068 0.000 1.076 568 F CA -1.054 56.908 58.000 -0.064 0.000 0.937 568 F CB 1.284 40.236 39.000 -0.079 0.000 1.282 568 F HN 0.400 nan 8.300 nan 0.000 0.460 569 G N 1.283 109.990 108.800 -0.154 0.000 2.415 569 G HA2 0.613 4.572 3.960 -0.001 0.000 0.327 569 G HA3 0.613 4.572 3.960 -0.001 0.000 0.327 569 G C -1.942 172.937 174.900 -0.035 0.000 1.182 569 G CA -1.071 43.958 45.100 -0.120 0.000 0.924 569 G HN 0.702 nan 8.290 nan 0.000 0.470 570 V N 1.242 121.206 119.914 0.083 0.000 2.540 570 V HA 0.412 4.531 4.120 -0.001 0.000 0.302 570 V C 0.082 176.174 176.094 -0.003 0.000 1.035 570 V CA -0.706 61.641 62.300 0.077 0.000 0.873 570 V CB 2.045 33.955 31.823 0.144 0.000 0.992 570 V HN 0.753 nan 8.190 nan 0.000 0.428 571 T N 4.943 119.489 114.554 -0.013 0.000 2.794 571 T HA 0.363 4.713 4.350 -0.001 0.000 0.304 571 T C -0.085 174.633 174.700 0.031 0.000 0.973 571 T CA -0.126 61.995 62.100 0.035 0.000 0.972 571 T CB -0.509 68.391 68.868 0.052 0.000 0.952 571 T HN 0.546 nan 8.240 nan 0.000 0.509 572 H N 1.743 120.916 119.070 0.172 0.000 2.499 572 H HA 0.130 4.685 4.556 -0.001 0.000 0.352 572 H C 1.195 176.547 175.328 0.039 0.000 1.237 572 H CA -0.709 55.463 56.048 0.206 0.000 1.343 572 H CB 0.774 30.733 29.762 0.328 0.000 1.578 572 H HN 0.698 nan 8.280 nan 0.000 0.577 573 Y N -0.075 120.305 120.300 0.134 0.000 2.193 573 Y HA -0.132 4.418 4.550 -0.000 0.000 0.285 573 Y C 1.939 177.745 175.900 -0.156 0.000 1.166 573 Y CA 1.263 59.354 58.100 -0.015 0.000 1.181 573 Y CB -0.811 37.638 38.460 -0.019 0.000 0.976 573 Y HN 0.459 nan 8.280 nan 0.000 0.520 574 A N 0.525 122.443 122.820 -1.503 0.000 2.238 574 A HA 0.534 4.853 4.320 -0.001 0.000 0.208 574 A C 1.238 178.405 177.584 -0.695 0.000 1.177 574 A CA 0.707 51.893 52.037 -1.419 0.000 0.804 574 A CB -1.053 16.366 19.000 -2.634 0.000 0.823 574 A HN 1.094 nan 8.150 nan 0.000 0.482 575 G N -1.413 107.199 108.800 -0.313 0.000 2.334 575 G HA2 0.207 4.166 3.960 -0.001 0.000 0.566 575 G HA3 0.207 4.166 3.960 -0.001 0.000 0.566 575 G C -0.780 174.192 174.900 0.120 0.000 1.413 575 G CA -0.360 44.699 45.100 -0.068 0.000 0.993 575 G HN 0.465 nan 8.290 nan 0.000 0.642 576 Q N -0.562 119.288 119.800 0.083 0.000 2.327 576 Q HA 0.589 4.928 4.340 -0.001 0.000 0.254 576 Q C -0.524 175.531 176.000 0.092 0.000 0.952 576 Q CA -0.424 55.441 55.803 0.104 0.000 0.884 576 Q CB 1.259 30.023 28.738 0.044 0.000 1.224 576 Q HN 0.629 nan 8.270 nan 0.000 0.422 577 V N 4.736 124.694 119.914 0.073 0.000 2.656 577 V HA 0.377 4.496 4.120 -0.001 0.000 0.307 577 V C -0.361 175.488 176.094 -0.408 0.000 1.051 577 V CA -0.856 61.332 62.300 -0.186 0.000 0.893 577 V CB 1.997 33.676 31.823 -0.240 0.000 0.999 577 V HN 0.878 nan 8.190 nan 0.000 0.426 578 M N 4.390 123.744 119.600 -0.411 0.000 2.113 578 M HA 0.485 4.965 4.480 -0.001 0.000 0.352 578 M C -1.212 174.757 176.300 -0.552 0.000 1.170 578 M CA -0.251 54.842 55.300 -0.346 0.000 1.053 578 M CB 0.987 33.549 32.600 -0.063 0.000 1.601 578 M HN 0.563 nan 8.290 nan 0.000 0.459 579 Y N 1.059 121.127 120.300 -0.386 0.000 2.330 579 Y HA 0.349 4.898 4.550 -0.000 0.000 0.336 579 Y C 0.444 176.178 175.900 -0.276 0.000 1.036 579 Y CA -0.814 57.081 58.100 -0.343 0.000 1.125 579 Y CB 1.030 39.114 38.460 -0.628 0.000 1.194 579 Y HN 0.500 nan 8.280 nan 0.000 0.469 580 E N 2.572 122.831 120.200 0.099 0.000 2.146 580 E HA 0.208 4.558 4.350 -0.001 0.000 0.282 580 E C -0.001 176.571 176.600 -0.045 0.000 0.989 580 E CA -0.193 56.237 56.400 0.049 0.000 0.799 580 E CB 0.978 30.745 29.700 0.112 0.000 1.088 580 E HN 0.670 nan 8.360 nan 0.000 0.397 581 I N 3.248 123.648 120.570 -0.283 0.000 2.830 581 I HA -0.079 4.090 4.170 -0.001 0.000 0.263 581 I C 1.010 176.982 176.117 -0.242 0.000 1.230 581 I CA 0.641 61.544 61.300 -0.661 0.000 1.480 581 I CB -0.256 37.503 38.000 -0.401 0.000 1.095 581 I HN 0.678 nan 8.210 nan 0.000 0.455 582 Q N 1.364 121.164 119.800 -0.001 0.000 2.398 582 Q HA -0.185 4.155 4.340 -0.001 0.000 0.329 582 Q C 0.036 176.185 176.000 0.248 0.000 1.079 582 Q CA 1.033 56.896 55.803 0.101 0.000 1.041 582 Q CB 0.134 28.914 28.738 0.070 0.000 1.084 582 Q HN 0.422 nan 8.270 nan 0.000 0.386 583 D N 2.358 122.865 120.400 0.179 0.000 3.028 583 D HA -0.240 4.400 4.640 -0.001 0.000 0.207 583 D C -0.040 176.398 176.300 0.230 0.000 1.100 583 D CA 1.185 55.287 54.000 0.169 0.000 0.995 583 D CB -1.379 39.489 40.800 0.113 0.000 1.108 583 D HN 0.677 nan 8.370 nan 0.000 0.421 584 W N 1.152 122.434 121.300 -0.029 0.000 2.338 584 W HA -0.018 4.641 4.660 -0.000 0.000 0.304 584 W C 2.563 178.960 176.519 -0.203 0.000 1.212 584 W CA 1.014 58.288 57.345 -0.118 0.000 1.264 584 W CB -1.021 28.405 29.460 -0.056 0.000 1.142 584 W HN 0.201 nan 8.180 nan 0.000 0.512 585 L N -0.398 120.882 121.223 0.096 0.000 2.046 585 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 585 L C 2.499 179.350 176.870 -0.033 0.000 1.077 585 L CA 1.243 56.089 54.840 0.009 0.000 0.747 585 L CB -0.909 41.166 42.059 0.028 0.000 0.896 585 L HN -0.116 nan 8.230 nan 0.000 0.432 586 E N 0.567 120.763 120.200 -0.008 0.000 2.106 586 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 586 E C 2.152 178.722 176.600 -0.049 0.000 0.984 586 E CA 1.075 57.465 56.400 -0.017 0.000 0.806 586 E CB -0.085 29.618 29.700 0.004 0.000 0.750 586 E HN 0.442 nan 8.360 nan 0.000 0.458 587 K N 0.609 120.956 120.400 -0.088 0.000 2.057 587 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 587 K C 2.029 178.486 176.600 -0.239 0.000 1.049 587 K CA 1.228 57.430 56.287 -0.141 0.000 0.931 587 K CB -0.118 32.263 32.500 -0.199 0.000 0.714 587 K HN -0.042 nan 8.250 nan 0.000 0.440 588 N N 1.156 119.617 118.700 -0.398 0.000 2.188 588 N HA -0.117 4.623 4.740 -0.001 0.000 0.184 588 N C 1.226 176.673 175.510 -0.106 0.000 1.018 588 N CA 1.386 54.226 53.050 -0.349 0.000 0.858 588 N CB 0.184 38.437 38.487 -0.391 0.000 0.989 588 N HN 0.055 nan 8.380 nan 0.000 0.426 589 K N -0.141 120.219 120.400 -0.066 0.000 2.155 589 K HA -0.038 4.282 4.320 -0.001 0.000 0.203 589 K C -0.056 176.545 176.600 0.002 0.000 1.052 589 K CA 0.688 56.974 56.287 -0.002 0.000 0.948 589 K CB 0.031 32.538 32.500 0.012 0.000 0.728 589 K HN 0.085 nan 8.250 nan 0.000 0.448 590 D N 0.520 120.910 120.400 -0.017 0.000 2.737 590 D HA -0.102 4.538 4.640 -0.001 0.000 0.238 590 D C -2.494 173.797 176.300 -0.016 0.000 1.157 590 D CA 0.067 54.059 54.000 -0.013 0.000 0.694 590 D CB -0.225 40.569 40.800 -0.009 0.000 1.021 590 D HN 0.123 nan 8.370 nan 0.000 0.420 591 P HA 0.450 nan 4.420 nan 0.000 0.276 591 P C -0.701 176.595 177.300 -0.005 0.000 1.244 591 P CA -0.708 62.394 63.100 0.002 0.000 0.801 591 P CB 1.174 32.883 31.700 0.015 0.000 1.006 592 L N 1.323 122.544 121.223 -0.003 0.000 2.580 592 L HA 0.222 4.562 4.340 -0.001 0.000 0.266 592 L C -0.534 176.348 176.870 0.021 0.000 0.955 592 L CA -0.406 54.436 54.840 0.003 0.000 0.886 592 L CB 1.661 43.712 42.059 -0.014 0.000 1.263 592 L HN 0.227 nan 8.230 nan 0.000 0.406 593 Q N 3.643 123.460 119.800 0.029 0.000 2.283 593 Q HA 0.015 4.355 4.340 -0.001 0.000 0.301 593 Q C 0.556 176.586 176.000 0.050 0.000 1.063 593 Q CA 0.430 56.256 55.803 0.038 0.000 0.952 593 Q CB 0.902 29.660 28.738 0.033 0.000 1.166 593 Q HN 0.739 nan 8.270 nan 0.000 0.381 594 Q N 1.562 121.395 119.800 0.054 0.000 2.170 594 Q HA -0.178 4.162 4.340 -0.001 0.000 0.203 594 Q C 0.756 176.791 176.000 0.059 0.000 0.976 594 Q CA 1.096 56.936 55.803 0.063 0.000 0.858 594 Q CB 0.235 29.012 28.738 0.066 0.000 0.907 594 Q HN 0.545 nan 8.270 nan 0.000 0.433 595 D N 0.555 120.984 120.400 0.048 0.000 2.218 595 D HA -0.093 4.547 4.640 -0.001 0.000 0.204 595 D C 1.759 178.091 176.300 0.054 0.000 0.976 595 D CA 0.733 54.757 54.000 0.040 0.000 0.853 595 D CB 0.003 40.821 40.800 0.029 0.000 0.939 595 D HN 0.207 nan 8.370 nan 0.000 0.481 596 L N 0.628 121.892 121.223 0.069 0.000 2.056 596 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 596 L C 2.229 179.158 176.870 0.098 0.000 1.078 596 L CA 1.165 56.063 54.840 0.096 0.000 0.749 596 L CB -0.304 41.795 42.059 0.067 0.000 0.901 596 L HN 0.020 nan 8.230 nan 0.000 0.433 597 E N 0.074 120.342 120.200 0.113 0.000 2.150 597 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 597 E C 2.316 178.955 176.600 0.065 0.000 0.985 597 E CA 0.879 57.378 56.400 0.165 0.000 0.814 597 E CB -0.119 29.729 29.700 0.247 0.000 0.752 597 E HN 0.476 nan 8.360 nan 0.000 0.466 598 L N 0.657 121.908 121.223 0.047 0.000 2.093 598 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 598 L C 2.798 179.642 176.870 -0.042 0.000 1.085 598 L CA 0.672 55.519 54.840 0.012 0.000 0.755 598 L CB -0.547 41.520 42.059 0.014 0.000 0.904 598 L HN 0.356 nan 8.230 nan 0.000 0.435 599 C N 0.136 119.412 119.300 -0.041 0.000 2.413 599 C HA -0.212 4.248 4.460 -0.001 0.000 0.276 599 C C 2.707 177.499 174.990 -0.330 0.000 1.236 599 C CA 0.704 59.643 59.018 -0.132 0.000 1.735 599 C CB -0.857 26.848 27.740 -0.057 0.000 2.031 599 C HN 0.455 nan 8.230 nan 0.000 0.474 600 F N 1.071 120.719 119.950 -0.502 0.000 2.293 600 F HA 0.100 4.626 4.527 -0.000 0.000 0.297 600 F C 2.399 177.871 175.800 -0.546 0.000 1.089 600 F CA 1.377 58.888 58.000 -0.816 0.000 1.377 600 F CB -0.496 37.341 39.000 -1.939 0.000 1.051 600 F HN 0.151 nan 8.300 nan 0.000 0.511 601 K N -0.177 120.116 120.400 -0.178 0.000 2.280 601 K HA -0.148 4.171 4.320 -0.001 0.000 0.202 601 K C 0.827 177.396 176.600 -0.053 0.000 1.047 601 K CA 1.129 57.405 56.287 -0.018 0.000 0.942 601 K CB -0.130 32.392 32.500 0.037 0.000 0.739 601 K HN 0.063 nan 8.250 nan 0.000 0.457 602 D N 0.156 120.486 120.400 -0.116 0.000 2.328 602 D HA -0.003 4.636 4.640 -0.001 0.000 0.221 602 D C -0.097 176.122 176.300 -0.135 0.000 1.072 602 D CA 0.241 54.175 54.000 -0.110 0.000 0.850 602 D CB 0.184 40.913 40.800 -0.117 0.000 0.922 602 D HN -0.053 nan 8.370 nan 0.000 0.516 603 S N -0.183 115.419 115.700 -0.163 0.000 2.549 603 S HA 0.034 4.504 4.470 -0.001 0.000 0.286 603 S C 1.539 176.100 174.600 -0.064 0.000 1.314 603 S CA -0.254 57.859 58.200 -0.145 0.000 1.062 603 S CB 0.723 63.850 63.200 -0.122 0.000 0.865 603 S HN 0.198 nan 8.310 nan 0.000 0.498 604 S N 2.593 118.264 115.700 -0.049 0.000 2.561 604 S HA 0.017 4.486 4.470 -0.001 0.000 0.225 604 S C 0.416 175.013 174.600 -0.006 0.000 0.977 604 S CA -0.043 58.143 58.200 -0.023 0.000 0.926 604 S CB -0.197 62.992 63.200 -0.019 0.000 0.769 604 S HN 0.806 nan 8.310 nan 0.000 0.533 605 D N 1.584 121.987 120.400 0.005 0.000 2.295 605 D HA 0.205 4.844 4.640 -0.001 0.000 0.248 605 D C 0.435 176.732 176.300 -0.006 0.000 1.154 605 D CA -0.152 53.857 54.000 0.014 0.000 0.857 605 D CB 0.519 41.351 40.800 0.052 0.000 1.117 605 D HN 0.205 nan 8.370 nan 0.000 0.468 606 N N 1.926 120.616 118.700 -0.018 0.000 2.149 606 N HA -0.151 4.589 4.740 -0.001 0.000 0.188 606 N C 1.729 177.186 175.510 -0.088 0.000 1.019 606 N CA 0.761 53.793 53.050 -0.030 0.000 0.857 606 N CB 0.454 38.933 38.487 -0.014 0.000 0.997 606 N HN 0.255 nan 8.380 nan 0.000 0.426 607 V N 0.489 120.311 119.914 -0.153 0.000 2.346 607 V HA -0.131 3.989 4.120 -0.001 0.000 0.244 607 V C 2.281 178.214 176.094 -0.269 0.000 1.037 607 V CA 1.007 63.084 62.300 -0.373 0.000 1.029 607 V CB -0.332 31.150 31.823 -0.567 0.000 0.663 607 V HN 0.091 nan 8.190 nan 0.000 0.454 608 V N 0.215 120.087 119.914 -0.070 0.000 2.324 608 V HA -0.336 3.783 4.120 -0.001 0.000 0.250 608 V C 2.613 178.811 176.094 0.174 0.000 1.060 608 V CA 2.765 65.133 62.300 0.112 0.000 1.042 608 V CB -1.092 30.854 31.823 0.204 0.000 0.650 608 V HN 0.621 nan 8.190 nan 0.000 0.450 609 T N -0.753 113.842 114.554 0.069 0.000 2.684 609 T HA -0.221 4.129 4.350 -0.001 0.000 0.267 609 T C 2.054 176.799 174.700 0.076 0.000 1.036 609 T CA 1.405 63.552 62.100 0.078 0.000 1.148 609 T CB -0.235 68.648 68.868 0.026 0.000 0.863 609 T HN 0.312 nan 8.240 nan 0.000 0.436 610 K N 0.871 121.260 120.400 -0.019 0.000 2.057 610 K HA 0.050 4.370 4.320 -0.001 0.000 0.207 610 K C 2.265 178.831 176.600 -0.057 0.000 1.049 610 K CA 0.888 57.151 56.287 -0.040 0.000 0.931 610 K CB -0.582 31.867 32.500 -0.085 0.000 0.714 610 K HN 0.385 nan 8.250 nan 0.000 0.440 611 L N -0.594 120.562 121.223 -0.112 0.000 2.191 611 L HA -0.157 4.182 4.340 -0.001 0.000 0.212 611 L C 1.960 178.612 176.870 -0.363 0.000 1.103 611 L CA 1.245 55.951 54.840 -0.223 0.000 0.769 611 L CB -0.350 41.559 42.059 -0.251 0.000 0.908 611 L HN 0.061 nan 8.230 nan 0.000 0.438 612 F N -0.767 119.152 119.950 -0.051 0.000 2.678 612 F HA 0.054 4.581 4.527 -0.001 0.000 0.291 612 F C 1.936 177.727 175.800 -0.016 0.000 1.123 612 F CA 0.381 58.365 58.000 -0.027 0.000 1.395 612 F CB -0.109 38.899 39.000 0.014 0.000 1.121 612 F HN 0.043 nan 8.300 nan 0.000 0.592 613 N N -1.113 117.666 118.700 0.131 0.000 2.415 613 N HA -0.056 4.684 4.740 -0.001 0.000 0.174 613 N C -0.002 175.530 175.510 0.036 0.000 1.048 613 N CA 0.112 53.208 53.050 0.077 0.000 0.895 613 N CB 0.213 38.742 38.487 0.070 0.000 1.036 613 N HN -0.060 nan 8.380 nan 0.000 0.449 614 D N 1.512 121.923 120.400 0.018 0.000 2.325 614 D HA 0.084 4.724 4.640 -0.001 0.000 0.251 614 D C -1.735 174.560 176.300 -0.008 0.000 1.196 614 D CA -2.365 51.642 54.000 0.012 0.000 0.866 614 D CB 1.245 42.061 40.800 0.027 0.000 1.101 614 D HN 0.022 nan 8.370 nan 0.000 0.476 615 P HA -0.115 nan 4.420 nan 0.000 0.221 615 P C 0.842 178.133 177.300 -0.015 0.000 1.145 615 P CA 0.669 63.765 63.100 -0.007 0.000 0.795 615 P CB 0.357 32.061 31.700 0.007 0.000 0.775 616 N N -0.795 117.898 118.700 -0.011 0.000 2.309 616 N HA -0.028 4.712 4.740 -0.001 0.000 0.182 616 N C 1.653 177.147 175.510 -0.027 0.000 1.018 616 N CA 0.967 54.008 53.050 -0.015 0.000 0.876 616 N CB -0.267 38.215 38.487 -0.008 0.000 0.972 616 N HN 0.265 nan 8.380 nan 0.000 0.434 617 I N -1.008 119.540 120.570 -0.036 0.000 3.443 617 I HA 0.134 4.303 4.170 -0.001 0.000 0.277 617 I C 1.864 177.909 176.117 -0.121 0.000 1.169 617 I CA 0.236 61.497 61.300 -0.066 0.000 1.419 617 I CB -0.009 37.961 38.000 -0.051 0.000 1.331 617 I HN -0.081 nan 8.210 nan 0.000 0.458 618 A N -0.207 122.537 122.820 -0.126 0.000 2.021 618 A HA 0.046 4.366 4.320 -0.001 0.000 0.216 618 A C 1.515 179.023 177.584 -0.126 0.000 1.163 618 A CA 0.482 52.423 52.037 -0.160 0.000 0.676 618 A CB -0.226 18.699 19.000 -0.124 0.000 0.818 618 A HN 0.293 nan 8.150 nan 0.000 0.453 619 S N 0.291 115.940 115.700 -0.085 0.000 2.565 619 S HA 0.407 4.877 4.470 -0.001 0.000 0.276 619 S C 0.092 174.629 174.600 -0.104 0.000 1.326 619 S CA -0.528 57.629 58.200 -0.072 0.000 1.045 619 S CB 0.274 63.464 63.200 -0.018 0.000 0.918 619 S HN 0.411 nan 8.310 nan 0.000 0.505 620 R N 2.073 122.478 120.500 -0.158 0.000 2.514 620 R HA 0.577 4.916 4.340 -0.001 0.000 0.301 620 R C -0.267 176.048 176.300 0.024 0.000 0.962 620 R CA -0.524 55.456 56.100 -0.200 0.000 0.882 620 R CB 1.546 31.432 30.300 -0.689 0.000 1.143 620 R HN 0.746 nan 8.270 nan 0.000 0.452 621 A N 2.027 124.899 122.820 0.087 0.000 2.322 621 A HA 0.547 4.866 4.320 -0.001 0.000 0.269 621 A C -0.054 177.699 177.584 0.281 0.000 1.094 621 A CA -0.428 51.703 52.037 0.157 0.000 0.807 621 A CB 0.440 19.501 19.000 0.102 0.000 1.047 621 A HN 0.722 nan 8.150 nan 0.000 0.487 622 K N 0.219 120.752 120.400 0.221 0.000 2.182 622 K HA 0.708 5.028 4.320 -0.001 0.000 0.262 622 K C -0.293 176.350 176.600 0.071 0.000 0.957 622 K CA -0.183 56.193 56.287 0.148 0.000 0.842 622 K CB 0.894 33.413 32.500 0.033 0.000 1.099 622 K HN 1.567 nan 8.250 nan 0.000 0.438 623 K N 1.164 121.593 120.400 0.047 0.000 2.478 623 K HA 0.672 4.991 4.320 -0.001 0.000 0.236 623 K C 1.081 177.680 176.600 -0.001 0.000 1.021 623 K CA 0.085 56.391 56.287 0.033 0.000 1.010 623 K CB -0.064 32.466 32.500 0.049 0.000 1.331 623 K HN 2.380 nan 8.250 nan 0.000 0.470 624 G N 1.141 109.935 108.800 -0.009 0.000 2.583 624 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.292 624 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.292 624 G C 1.463 176.327 174.900 -0.060 0.000 1.203 624 G CA 0.941 46.027 45.100 -0.024 0.000 0.987 624 G HN 1.906 nan 8.290 nan 0.000 0.554 625 A N 0.497 123.280 122.820 -0.061 0.000 2.239 625 A HA 0.357 4.676 4.320 -0.001 0.000 0.209 625 A C 0.973 178.468 177.584 -0.148 0.000 1.171 625 A CA 1.575 53.556 52.037 -0.093 0.000 0.768 625 A CB -0.415 18.550 19.000 -0.057 0.000 0.790 625 A HN 0.643 nan 8.150 nan 0.000 0.478 626 N N -1.747 116.868 118.700 -0.142 0.000 2.455 626 N HA 0.487 5.226 4.740 -0.001 0.000 0.278 626 N C -1.404 174.018 175.510 -0.146 0.000 1.291 626 N CA -0.490 52.458 53.050 -0.170 0.000 0.780 626 N CB 0.902 39.369 38.487 -0.034 0.000 1.520 626 N HN 0.023 nan 8.380 nan 0.000 0.486 627 F N 1.074 121.035 119.950 0.019 0.000 2.380 627 F HA 0.441 4.968 4.527 -0.001 0.000 0.325 627 F C 1.521 177.335 175.800 0.024 0.000 1.136 627 F CA -0.604 57.408 58.000 0.020 0.000 1.171 627 F CB 0.168 39.178 39.000 0.018 0.000 1.230 627 F HN 0.283 nan 8.300 nan 0.000 0.554 628 I N 0.678 121.404 120.570 0.260 0.000 2.775 628 I HA 0.280 4.450 4.170 -0.001 0.000 0.290 628 I C 0.720 176.920 176.117 0.137 0.000 1.203 628 I CA -0.386 61.008 61.300 0.156 0.000 1.433 628 I CB -0.908 37.170 38.000 0.130 0.000 1.354 628 I HN 0.660 nan 8.210 nan 0.000 0.579 629 T N 2.420 117.039 114.554 0.109 0.000 2.816 629 T HA 0.440 4.790 4.350 -0.001 0.000 0.282 629 T C 1.231 175.998 174.700 0.113 0.000 0.993 629 T CA 0.259 62.414 62.100 0.091 0.000 0.994 629 T CB 1.189 70.097 68.868 0.066 0.000 1.025 629 T HN 0.741 nan 8.240 nan 0.000 0.529 630 V N 1.398 121.379 119.914 0.111 0.000 2.295 630 V HA -0.111 4.009 4.120 -0.001 0.000 0.246 630 V C 3.094 179.353 176.094 0.275 0.000 1.049 630 V CA 2.309 64.720 62.300 0.186 0.000 1.024 630 V CB -1.646 30.305 31.823 0.214 0.000 0.648 630 V HN 1.086 nan 8.190 nan 0.000 0.447 631 A N 0.146 123.147 122.820 0.301 0.000 1.873 631 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 631 A C 2.410 180.126 177.584 0.220 0.000 1.193 631 A CA 2.580 54.812 52.037 0.325 0.000 0.629 631 A CB -0.975 18.185 19.000 0.266 0.000 0.826 631 A HN 0.610 nan 8.150 nan 0.000 0.447 632 A N -1.142 121.773 122.820 0.157 0.000 1.969 632 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 632 A C 2.184 179.848 177.584 0.134 0.000 1.169 632 A CA 1.828 53.937 52.037 0.121 0.000 0.635 632 A CB -0.511 18.546 19.000 0.095 0.000 0.810 632 A HN 0.708 nan 8.150 nan 0.000 0.445 633 Q N -1.965 117.934 119.800 0.164 0.000 2.046 633 Q HA -0.210 4.130 4.340 -0.001 0.000 0.200 633 Q C 1.954 178.087 176.000 0.221 0.000 0.975 633 Q CA 1.860 57.764 55.803 0.169 0.000 0.836 633 Q CB -0.373 28.467 28.738 0.169 0.000 0.896 633 Q HN 0.695 nan 8.270 nan 0.000 0.428 634 Y N 1.375 121.753 120.300 0.130 0.000 2.200 634 Y HA -0.169 4.380 4.550 -0.001 0.000 0.290 634 Y C 2.153 178.145 175.900 0.154 0.000 1.137 634 Y CA 1.933 60.120 58.100 0.146 0.000 1.163 634 Y CB -0.200 38.339 38.460 0.132 0.000 0.988 634 Y HN 0.101 nan 8.280 nan 0.000 0.518 635 K N 0.359 120.796 120.400 0.062 0.000 2.113 635 K HA -0.275 4.044 4.320 -0.001 0.000 0.208 635 K C 2.131 178.706 176.600 -0.041 0.000 1.047 635 K CA 2.086 58.383 56.287 0.016 0.000 0.928 635 K CB -0.319 32.230 32.500 0.082 0.000 0.716 635 K HN 0.496 nan 8.250 nan 0.000 0.446 636 E N 0.210 120.414 120.200 0.008 0.000 2.072 636 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 636 E C 2.188 178.779 176.600 -0.015 0.000 0.985 636 E CA 1.120 57.526 56.400 0.010 0.000 0.801 636 E CB 0.101 29.831 29.700 0.050 0.000 0.750 636 E HN 0.401 nan 8.360 nan 0.000 0.452 637 Q N 0.062 119.866 119.800 0.007 0.000 2.096 637 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 637 Q C 2.284 178.249 176.000 -0.058 0.000 0.982 637 Q CA 1.180 57.032 55.803 0.082 0.000 0.850 637 Q CB -0.110 28.800 28.738 0.288 0.000 0.901 637 Q HN 0.240 nan 8.270 nan 0.000 0.422 638 L N 0.471 121.494 121.223 -0.334 0.000 2.046 638 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 638 L C 2.119 178.824 176.870 -0.275 0.000 1.077 638 L CA 2.157 56.721 54.840 -0.460 0.000 0.747 638 L CB -0.885 40.755 42.059 -0.699 0.000 0.896 638 L HN 0.125 nan 8.230 nan 0.000 0.432 639 A N -1.852 120.866 122.820 -0.170 0.000 1.930 639 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 639 A C 2.530 180.061 177.584 -0.089 0.000 1.175 639 A CA 1.785 53.761 52.037 -0.101 0.000 0.627 639 A CB -0.982 17.994 19.000 -0.041 0.000 0.815 639 A HN 0.524 nan 8.150 nan 0.000 0.443 640 S N -0.789 114.868 115.700 -0.072 0.000 2.383 640 S HA -0.113 4.356 4.470 -0.001 0.000 0.227 640 S C 1.912 176.452 174.600 -0.100 0.000 1.026 640 S CA 1.335 59.505 58.200 -0.051 0.000 0.981 640 S CB -0.457 62.739 63.200 -0.008 0.000 0.818 640 S HN 0.507 nan 8.310 nan 0.000 0.472 641 L N 1.887 123.017 121.223 -0.155 0.000 1.994 641 L HA -0.004 4.336 4.340 -0.001 0.000 0.208 641 L C 2.267 178.940 176.870 -0.327 0.000 1.071 641 L CA 2.041 56.711 54.840 -0.283 0.000 0.745 641 L CB -0.743 41.087 42.059 -0.383 0.000 0.892 641 L HN 0.283 nan 8.230 nan 0.000 0.431 642 M N -0.406 119.024 119.600 -0.282 0.000 2.149 642 M HA -0.179 4.301 4.480 -0.001 0.000 0.261 642 M C 2.392 178.620 176.300 -0.120 0.000 1.064 642 M CA 1.810 56.959 55.300 -0.252 0.000 1.102 642 M CB -1.704 30.797 32.600 -0.166 0.000 1.369 642 M HN 0.502 nan 8.290 nan 0.000 0.408 643 A N -0.425 122.351 122.820 -0.073 0.000 1.930 643 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 643 A C 2.349 179.940 177.584 0.012 0.000 1.175 643 A CA 2.071 54.106 52.037 -0.003 0.000 0.627 643 A CB -0.994 18.005 19.000 -0.001 0.000 0.815 643 A HN 0.453 nan 8.150 nan 0.000 0.443 644 T N 0.270 114.796 114.554 -0.046 0.000 2.821 644 T HA -0.023 4.326 4.350 -0.001 0.000 0.267 644 T C 1.765 176.488 174.700 0.040 0.000 1.046 644 T CA 1.253 63.354 62.100 0.002 0.000 1.139 644 T CB -0.321 68.486 68.868 -0.101 0.000 0.871 644 T HN 0.373 nan 8.240 nan 0.000 0.454 645 L N 0.800 121.960 121.223 -0.105 0.000 2.093 645 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 645 L C 2.713 179.653 176.870 0.116 0.000 1.085 645 L CA 1.067 55.839 54.840 -0.113 0.000 0.755 645 L CB -0.481 41.238 42.059 -0.567 0.000 0.904 645 L HN 0.202 nan 8.230 nan 0.000 0.435 646 E N -0.163 120.153 120.200 0.193 0.000 2.333 646 E HA -0.182 4.168 4.350 -0.001 0.000 0.198 646 E C 1.970 178.702 176.600 0.221 0.000 1.007 646 E CA 1.687 58.288 56.400 0.335 0.000 0.845 646 E CB -0.170 29.711 29.700 0.301 0.000 0.766 646 E HN 0.565 nan 8.360 nan 0.000 0.507 647 T N -1.679 112.973 114.554 0.163 0.000 3.107 647 T HA 0.024 4.374 4.350 -0.001 0.000 0.249 647 T C 0.942 175.703 174.700 0.103 0.000 1.096 647 T CA 0.264 62.446 62.100 0.136 0.000 1.012 647 T CB -0.113 68.845 68.868 0.150 0.000 0.977 647 T HN 0.072 nan 8.240 nan 0.000 0.527 648 T N -0.157 114.455 114.554 0.096 0.000 2.949 648 T HA 0.540 4.889 4.350 -0.001 0.000 0.287 648 T C -0.613 174.081 174.700 -0.011 0.000 1.034 648 T CA -1.032 61.074 62.100 0.010 0.000 1.018 648 T CB 1.442 70.318 68.868 0.014 0.000 1.135 648 T HN 0.069 nan 8.240 nan 0.000 0.532 649 N N 2.678 121.336 118.700 -0.069 0.000 2.439 649 N HA 0.412 5.151 4.740 -0.001 0.000 0.249 649 N C -2.650 172.695 175.510 -0.275 0.000 1.003 649 N CA -2.066 50.901 53.050 -0.137 0.000 0.942 649 N CB 0.809 39.234 38.487 -0.103 0.000 1.115 649 N HN 0.390 nan 8.380 nan 0.000 0.505 650 P HA 0.252 nan 4.420 nan 0.000 0.288 650 P C -1.211 175.600 177.300 -0.815 0.000 1.267 650 P CA -0.146 62.649 63.100 -0.508 0.000 0.815 650 P CB 1.122 32.492 31.700 -0.549 0.000 0.989 651 H N 2.206 121.062 119.070 -0.357 0.000 2.609 651 H HA 0.356 4.912 4.556 -0.001 0.000 0.344 651 H C -0.575 174.601 175.328 -0.253 0.000 1.040 651 H CA -0.278 55.660 56.048 -0.183 0.000 1.216 651 H CB 0.855 30.597 29.762 -0.032 0.000 1.529 651 H HN 0.304 nan 8.280 nan 0.000 0.519 652 F N 1.503 121.616 119.950 0.271 0.000 2.421 652 F HA 0.336 4.863 4.527 -0.000 0.000 0.337 652 F C 0.403 176.359 175.800 0.260 0.000 1.105 652 F CA -0.851 57.293 58.000 0.240 0.000 1.049 652 F CB 1.570 40.705 39.000 0.226 0.000 1.139 652 F HN 0.121 nan 8.300 nan 0.000 0.479 653 V N 4.485 124.611 119.914 0.354 0.000 2.376 653 V HA 0.435 4.555 4.120 -0.001 0.000 0.287 653 V C -0.488 175.721 176.094 0.192 0.000 1.015 653 V CA -0.986 61.467 62.300 0.255 0.000 0.834 653 V CB 1.245 33.170 31.823 0.169 0.000 1.001 653 V HN 0.552 nan 8.190 nan 0.000 0.428 654 R N 2.975 123.585 120.500 0.183 0.000 2.230 654 R HA 0.392 4.731 4.340 -0.001 0.000 0.337 654 R C -0.543 175.793 176.300 0.061 0.000 1.063 654 R CA -0.349 55.793 56.100 0.070 0.000 0.935 654 R CB 0.598 30.901 30.300 0.004 0.000 1.121 654 R HN 0.588 nan 8.270 nan 0.000 0.486 655 C N 4.304 123.626 119.300 0.038 0.000 2.585 655 C HA 0.431 4.890 4.460 -0.001 0.000 0.406 655 C C 0.756 175.735 174.990 -0.019 0.000 1.312 655 C CA -0.434 58.589 59.018 0.008 0.000 1.924 655 C CB -0.288 27.453 27.740 0.003 0.000 2.578 655 C HN 0.587 nan 8.230 nan 0.000 0.580 656 I N 4.327 124.868 120.570 -0.047 0.000 2.436 656 I HA 0.390 4.560 4.170 -0.001 0.000 0.289 656 I C 0.015 176.081 176.117 -0.084 0.000 1.010 656 I CA -0.502 60.762 61.300 -0.060 0.000 1.098 656 I CB 1.343 39.306 38.000 -0.062 0.000 1.266 656 I HN 0.626 nan 8.210 nan 0.000 0.434 657 I N 8.601 129.141 120.570 -0.051 0.000 2.395 657 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 657 I C -1.177 174.933 176.117 -0.012 0.000 1.023 657 I CA -1.703 59.593 61.300 -0.007 0.000 1.350 657 I CB 1.987 40.026 38.000 0.064 0.000 1.409 657 I HN 0.360 nan 8.210 nan 0.000 0.507 658 P HA -0.007 nan 4.420 nan 0.000 0.224 658 P C -0.952 176.359 177.300 0.019 0.000 1.157 658 P CA 0.963 64.036 63.100 -0.044 0.000 0.799 658 P CB 0.007 31.690 31.700 -0.028 0.000 0.809 659 N N -2.404 116.350 118.700 0.089 0.000 3.308 659 N HA 0.148 4.887 4.740 -0.001 0.000 0.276 659 N C -0.488 175.049 175.510 0.046 0.000 1.533 659 N CA -0.777 52.297 53.050 0.040 0.000 0.878 659 N CB -0.528 37.977 38.487 0.030 0.000 1.566 659 N HN -0.388 nan 8.380 nan 0.000 0.546 660 N N -0.742 117.958 118.700 -0.000 0.000 2.321 660 N HA 0.175 4.915 4.740 -0.001 0.000 0.242 660 N C -0.530 174.949 175.510 -0.052 0.000 1.141 660 N CA 0.014 53.059 53.050 -0.008 0.000 0.864 660 N CB 0.421 38.900 38.487 -0.013 0.000 1.100 660 N HN 0.496 nan 8.380 nan 0.000 0.510 661 K N 0.094 120.430 120.400 -0.107 0.000 2.402 661 K HA 0.176 4.496 4.320 -0.001 0.000 0.204 661 K C -0.080 176.320 176.600 -0.333 0.000 1.056 661 K CA -0.142 56.048 56.287 -0.162 0.000 1.069 661 K CB 0.953 33.384 32.500 -0.114 0.000 0.888 661 K HN -0.006 nan 8.250 nan 0.000 0.546 662 Q N 0.979 120.414 119.800 -0.608 0.000 2.487 662 Q HA -0.153 4.187 4.340 -0.001 0.000 0.279 662 Q C -0.863 174.442 176.000 -1.159 0.000 1.228 662 Q CA 0.476 55.455 55.803 -1.375 0.000 0.873 662 Q CB -1.541 26.786 28.738 -0.685 0.000 1.260 662 Q HN 0.361 nan 8.270 nan 0.000 0.471 663 L N 0.889 121.704 121.223 -0.681 0.000 2.325 663 L HA 0.611 4.951 4.340 -0.001 0.000 0.278 663 L C -1.913 174.998 176.870 0.068 0.000 1.023 663 L CA -2.122 52.585 54.840 -0.221 0.000 0.811 663 L CB 1.204 43.204 42.059 -0.098 0.000 1.249 663 L HN -0.117 nan 8.230 nan 0.000 0.431 664 P HA 0.172 nan 4.420 nan 0.000 0.278 664 P C -0.217 177.179 177.300 0.160 0.000 1.258 664 P CA -0.204 63.025 63.100 0.214 0.000 0.811 664 P CB 1.188 32.964 31.700 0.127 0.000 1.063 665 A N 0.179 123.098 122.820 0.165 0.000 2.745 665 A HA -0.213 4.106 4.320 -0.001 0.000 0.296 665 A C 0.463 178.162 177.584 0.192 0.000 1.500 665 A CA 1.499 53.625 52.037 0.147 0.000 0.766 665 A CB -2.586 16.444 19.000 0.050 0.000 1.030 665 A HN 0.665 nan 8.150 nan 0.000 0.489 666 K N -0.333 120.230 120.400 0.272 0.000 3.157 666 K HA 0.423 4.743 4.320 -0.001 0.000 0.173 666 K C -0.574 176.112 176.600 0.144 0.000 1.127 666 K CA -0.719 55.667 56.287 0.164 0.000 0.849 666 K CB 0.134 32.693 32.500 0.098 0.000 1.038 666 K HN 0.449 nan 8.250 nan 0.000 0.603 667 L N 2.923 124.234 121.223 0.148 0.000 2.456 667 L HA 0.136 4.476 4.340 -0.001 0.000 0.277 667 L C -0.495 176.443 176.870 0.113 0.000 1.124 667 L CA 0.834 55.698 54.840 0.041 0.000 0.880 667 L CB 0.359 42.411 42.059 -0.012 0.000 1.192 667 L HN 0.340 nan 8.230 nan 0.000 0.463 668 E N 3.018 123.248 120.200 0.050 0.000 2.130 668 E HA 0.068 4.418 4.350 -0.001 0.000 0.284 668 E C 0.316 176.855 176.600 -0.103 0.000 1.018 668 E CA -0.272 56.133 56.400 0.009 0.000 0.817 668 E CB 0.936 30.621 29.700 -0.025 0.000 1.078 668 E HN 0.676 nan 8.360 nan 0.000 0.396 669 D N 4.428 124.746 120.400 -0.138 0.000 2.104 669 D HA -0.291 4.349 4.640 -0.001 0.000 0.194 669 D C 1.626 177.622 176.300 -0.507 0.000 0.994 669 D CA 1.356 54.991 54.000 -0.607 0.000 0.830 669 D CB -0.041 40.573 40.800 -0.309 0.000 0.959 669 D HN 0.318 nan 8.370 nan 0.000 0.452 670 K N 1.759 122.003 120.400 -0.260 0.000 2.057 670 K HA -0.087 4.233 4.320 -0.001 0.000 0.207 670 K C 2.149 178.634 176.600 -0.193 0.000 1.049 670 K CA 1.085 57.251 56.287 -0.202 0.000 0.931 670 K CB -1.240 31.179 32.500 -0.135 0.000 0.714 670 K HN 0.278 nan 8.250 nan 0.000 0.440 671 V N 1.935 121.748 119.914 -0.168 0.000 2.255 671 V HA -0.228 3.892 4.120 -0.001 0.000 0.247 671 V C 2.773 178.768 176.094 -0.164 0.000 1.051 671 V CA 1.829 64.049 62.300 -0.133 0.000 1.018 671 V CB -0.413 31.358 31.823 -0.087 0.000 0.641 671 V HN 0.118 nan 8.190 nan 0.000 0.445 672 V N -0.478 119.297 119.914 -0.231 0.000 2.358 672 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 672 V C 2.304 178.251 176.094 -0.245 0.000 1.047 672 V CA 1.922 64.084 62.300 -0.232 0.000 1.035 672 V CB -0.527 31.153 31.823 -0.238 0.000 0.658 672 V HN 0.427 nan 8.190 nan 0.000 0.452 673 L N -0.243 120.767 121.223 -0.356 0.000 2.046 673 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 673 L C 2.389 179.170 176.870 -0.148 0.000 1.077 673 L CA 1.633 56.321 54.840 -0.254 0.000 0.747 673 L CB -0.726 41.172 42.059 -0.268 0.000 0.896 673 L HN 0.327 nan 8.230 nan 0.000 0.432 674 D N -0.364 119.947 120.400 -0.149 0.000 2.123 674 D HA -0.209 4.430 4.640 -0.001 0.000 0.196 674 D C 2.309 178.539 176.300 -0.116 0.000 0.992 674 D CA 1.220 55.147 54.000 -0.122 0.000 0.833 674 D CB -0.115 40.608 40.800 -0.127 0.000 0.954 674 D HN 0.435 nan 8.370 nan 0.000 0.455 675 Q N -0.100 119.630 119.800 -0.116 0.000 2.079 675 Q HA -0.032 4.308 4.340 -0.001 0.000 0.200 675 Q C 2.555 178.515 176.000 -0.065 0.000 0.974 675 Q CA 0.656 56.401 55.803 -0.096 0.000 0.840 675 Q CB -0.062 28.626 28.738 -0.083 0.000 0.898 675 Q HN 0.304 nan 8.270 nan 0.000 0.430 676 L N 0.145 121.334 121.223 -0.057 0.000 2.046 676 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 676 L C 2.554 179.423 176.870 -0.002 0.000 1.077 676 L CA 1.209 56.039 54.840 -0.016 0.000 0.747 676 L CB -0.442 41.616 42.059 -0.001 0.000 0.896 676 L HN 0.168 nan 8.230 nan 0.000 0.432 677 R N -0.002 120.486 120.500 -0.020 0.000 2.075 677 R HA -0.202 4.138 4.340 -0.001 0.000 0.230 677 R C 2.621 178.926 176.300 0.009 0.000 1.140 677 R CA 2.067 58.166 56.100 -0.002 0.000 0.928 677 R CB -0.789 29.499 30.300 -0.020 0.000 0.834 677 R HN 0.619 nan 8.270 nan 0.000 0.429 678 C N 0.067 119.358 119.300 -0.014 0.000 2.432 678 C HA 0.037 4.497 4.460 -0.001 0.000 0.280 678 C C 1.716 176.762 174.990 0.095 0.000 1.353 678 C CA 0.464 59.501 59.018 0.032 0.000 1.766 678 C CB -1.250 26.446 27.740 -0.072 0.000 1.924 678 C HN 0.422 nan 8.230 nan 0.000 0.509 679 N N 0.821 119.523 118.700 0.003 0.000 2.463 679 N HA 0.181 4.920 4.740 -0.001 0.000 0.181 679 N C 1.388 176.807 175.510 -0.152 0.000 1.078 679 N CA 0.715 53.696 53.050 -0.116 0.000 0.902 679 N CB -0.130 38.237 38.487 -0.198 0.000 0.970 679 N HN 0.798 nan 8.380 nan 0.000 0.451 680 G N 0.857 109.668 108.800 0.018 0.000 2.160 680 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.244 680 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.244 680 G C 0.844 175.894 174.900 0.249 0.000 1.022 680 G CA 0.285 45.485 45.100 0.167 0.000 0.741 680 G HN 0.159 nan 8.290 nan 0.000 0.508 681 V N -0.180 119.824 119.914 0.150 0.000 2.255 681 V HA -0.218 3.901 4.120 -0.001 0.000 0.247 681 V C 2.912 179.225 176.094 0.365 0.000 1.051 681 V CA 2.505 64.994 62.300 0.315 0.000 1.018 681 V CB -0.497 31.457 31.823 0.219 0.000 0.641 681 V HN 0.407 nan 8.190 nan 0.000 0.445 682 L N -0.316 121.045 121.223 0.229 0.000 2.046 682 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 682 L C 2.407 179.426 176.870 0.249 0.000 1.077 682 L CA 1.801 56.761 54.840 0.200 0.000 0.747 682 L CB -0.930 41.211 42.059 0.137 0.000 0.896 682 L HN 0.306 nan 8.230 nan 0.000 0.432 683 E N -0.427 119.935 120.200 0.271 0.000 2.110 683 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 683 E C 2.305 179.136 176.600 0.386 0.000 0.988 683 E CA 1.111 57.692 56.400 0.301 0.000 0.804 683 E CB -0.628 29.152 29.700 0.133 0.000 0.745 683 E HN 0.455 nan 8.360 nan 0.000 0.458 684 G N 0.333 109.433 108.800 0.500 0.000 2.422 684 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 684 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 684 G C 1.569 176.681 174.900 0.353 0.000 1.140 684 G CA 0.588 45.952 45.100 0.440 0.000 0.775 684 G HN 0.169 nan 8.290 nan 0.000 0.545 685 I N 0.121 120.876 120.570 0.308 0.000 2.233 685 I HA -0.092 4.078 4.170 -0.001 0.000 0.243 685 I C 2.966 179.168 176.117 0.143 0.000 1.093 685 I CA 0.737 62.127 61.300 0.150 0.000 1.380 685 I CB -0.179 37.875 38.000 0.091 0.000 1.067 685 I HN 0.035 nan 8.210 nan 0.000 0.413 686 R N 0.454 121.071 120.500 0.195 0.000 2.103 686 R HA -0.214 4.126 4.340 -0.001 0.000 0.242 686 R C 2.384 178.835 176.300 0.253 0.000 1.142 686 R CA 1.769 58.005 56.100 0.227 0.000 0.960 686 R CB -0.743 29.755 30.300 0.330 0.000 0.858 686 R HN 0.340 nan 8.270 nan 0.000 0.439 687 I N 0.746 121.437 120.570 0.202 0.000 2.179 687 I HA -0.266 3.904 4.170 -0.001 0.000 0.242 687 I C 1.838 178.032 176.117 0.129 0.000 1.088 687 I CA 1.668 63.066 61.300 0.163 0.000 1.357 687 I CB -0.135 37.781 38.000 -0.140 0.000 1.051 687 I HN 0.081 nan 8.210 nan 0.000 0.409 688 T N 0.405 114.999 114.554 0.067 0.000 2.720 688 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 688 T C 2.017 176.733 174.700 0.027 0.000 1.037 688 T CA 1.601 63.723 62.100 0.037 0.000 1.144 688 T CB -0.227 68.653 68.868 0.020 0.000 0.864 688 T HN 0.329 nan 8.240 nan 0.000 0.444 689 R N 0.687 121.214 120.500 0.045 0.000 2.070 689 R HA 0.043 4.383 4.340 -0.001 0.000 0.227 689 R C 2.634 178.929 176.300 -0.009 0.000 1.147 689 R CA 1.406 57.515 56.100 0.015 0.000 0.924 689 R CB -0.135 30.188 30.300 0.039 0.000 0.827 689 R HN 0.211 nan 8.270 nan 0.000 0.431 690 K N -0.409 120.033 120.400 0.070 0.000 2.152 690 K HA -0.076 4.244 4.320 -0.001 0.000 0.206 690 K C 1.179 177.812 176.600 0.054 0.000 1.048 690 K CA 1.235 57.571 56.287 0.083 0.000 0.933 690 K CB -0.149 32.478 32.500 0.211 0.000 0.721 690 K HN 0.263 nan 8.250 nan 0.000 0.447 691 G N -0.626 108.237 108.800 0.106 0.000 2.574 691 G HA2 0.419 4.379 3.960 -0.001 0.000 0.248 691 G HA3 0.419 4.379 3.960 -0.001 0.000 0.248 691 G C -0.865 173.692 174.900 -0.571 0.000 1.422 691 G CA -0.677 44.378 45.100 -0.074 0.000 1.051 691 G HN 0.075 nan 8.290 nan 0.000 0.560 692 F N 0.369 120.300 119.950 -0.033 0.000 2.676 692 F HA 0.365 4.892 4.527 -0.000 0.000 0.371 692 F C -1.688 174.222 175.800 0.184 0.000 1.141 692 F CA -1.860 56.174 58.000 0.057 0.000 1.133 692 F CB 2.060 41.081 39.000 0.035 0.000 1.376 692 F HN 0.167 nan 8.300 nan 0.000 0.491 693 P HA -0.151 nan 4.420 nan 0.000 0.213 693 P C -0.299 177.057 177.300 0.094 0.000 1.170 693 P CA 1.411 64.591 63.100 0.133 0.000 0.902 693 P CB 0.190 31.923 31.700 0.054 0.000 0.789 694 N N 1.835 120.572 118.700 0.060 0.000 2.444 694 N HA 0.174 4.913 4.740 -0.001 0.000 0.271 694 N C 0.232 175.635 175.510 -0.179 0.000 1.069 694 N CA -0.069 52.953 53.050 -0.046 0.000 0.965 694 N CB 1.013 39.472 38.487 -0.048 0.000 1.092 694 N HN 0.224 nan 8.380 nan 0.000 0.476 695 R N 0.669 120.966 120.500 -0.339 0.000 2.604 695 R HA 0.589 4.929 4.340 -0.001 0.000 0.281 695 R C -1.485 174.495 176.300 -0.533 0.000 1.020 695 R CA -0.783 54.907 56.100 -0.683 0.000 0.899 695 R CB 0.699 30.221 30.300 -1.297 0.000 1.205 695 R HN 0.355 nan 8.270 nan 0.000 0.450 696 I N 0.515 120.748 120.570 -0.562 0.000 2.569 696 I HA 0.456 4.625 4.170 -0.001 0.000 0.290 696 I C 0.694 176.558 176.117 -0.422 0.000 1.088 696 I CA -1.154 59.911 61.300 -0.391 0.000 1.047 696 I CB 1.610 39.442 38.000 -0.279 0.000 1.237 696 I HN 0.753 nan 8.210 nan 0.000 0.421 697 I N 4.200 124.602 120.570 -0.280 0.000 2.668 697 I HA 0.163 4.333 4.170 -0.001 0.000 0.285 697 I C 1.195 177.263 176.117 -0.081 0.000 1.168 697 I CA 0.178 61.334 61.300 -0.242 0.000 1.424 697 I CB -1.181 36.750 38.000 -0.116 0.000 1.377 697 I HN 0.695 nan 8.210 nan 0.000 0.560 698 Y N 4.871 125.207 120.300 0.061 0.000 2.100 698 Y HA -0.374 4.176 4.550 -0.001 0.000 0.267 698 Y C 2.657 178.666 175.900 0.181 0.000 1.250 698 Y CA 3.064 61.267 58.100 0.172 0.000 1.105 698 Y CB -1.341 37.207 38.460 0.146 0.000 0.924 698 Y HN 0.758 nan 8.280 nan 0.000 0.508 699 A N -0.389 122.580 122.820 0.249 0.000 1.933 699 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 699 A C 1.976 179.613 177.584 0.088 0.000 1.175 699 A CA 2.165 54.282 52.037 0.134 0.000 0.628 699 A CB -1.528 17.529 19.000 0.096 0.000 0.814 699 A HN 0.572 nan 8.150 nan 0.000 0.444 700 D N -1.663 118.790 120.400 0.088 0.000 2.317 700 D HA 0.052 4.691 4.640 -0.001 0.000 0.211 700 D C 1.683 178.046 176.300 0.107 0.000 0.966 700 D CA 1.109 55.145 54.000 0.060 0.000 0.876 700 D CB -0.376 40.440 40.800 0.025 0.000 0.927 700 D HN 0.469 nan 8.370 nan 0.000 0.519 701 F N 1.036 120.976 119.950 -0.017 0.000 2.179 701 F HA 0.210 4.737 4.527 -0.000 0.000 0.292 701 F C 2.573 178.382 175.800 0.015 0.000 1.089 701 F CA 1.445 59.437 58.000 -0.013 0.000 1.295 701 F CB -0.355 38.639 39.000 -0.009 0.000 1.041 701 F HN 0.156 nan 8.300 nan 0.000 0.487 702 V N 1.136 120.926 119.914 -0.206 0.000 2.270 702 V HA -0.199 3.920 4.120 -0.001 0.000 0.245 702 V C 2.372 178.359 176.094 -0.178 0.000 1.043 702 V CA 3.783 65.909 62.300 -0.290 0.000 1.014 702 V CB -1.791 29.965 31.823 -0.112 0.000 0.645 702 V HN 0.359 nan 8.190 nan 0.000 0.447 703 K N 0.005 120.360 120.400 -0.076 0.000 2.020 703 K HA -0.247 4.072 4.320 -0.001 0.000 0.212 703 K C 2.550 179.116 176.600 -0.057 0.000 1.050 703 K CA 3.818 60.076 56.287 -0.047 0.000 0.929 703 K CB -1.562 30.929 32.500 -0.014 0.000 0.714 703 K HN 0.964 nan 8.250 nan 0.000 0.443 704 R N -1.369 119.103 120.500 -0.046 0.000 2.094 704 R HA 0.049 4.388 4.340 -0.001 0.000 0.239 704 R C 1.828 178.091 176.300 -0.062 0.000 1.137 704 R CA 2.593 58.674 56.100 -0.032 0.000 0.943 704 R CB -1.560 28.747 30.300 0.013 0.000 0.850 704 R HN 1.596 nan 8.270 nan 0.000 0.433 705 Y N -3.383 116.838 120.300 -0.132 0.000 2.359 705 Y HA 0.506 5.056 4.550 -0.001 0.000 0.336 705 Y C 0.388 176.152 175.900 -0.228 0.000 1.098 705 Y CA -0.764 57.253 58.100 -0.137 0.000 1.272 705 Y CB -0.126 38.287 38.460 -0.079 0.000 1.112 705 Y HN 0.828 nan 8.280 nan 0.000 0.481 706 Y N 0.322 120.527 120.300 -0.159 0.000 2.467 706 Y HA 0.434 4.984 4.550 -0.001 0.000 0.250 706 Y C 1.876 177.724 175.900 -0.086 0.000 1.155 706 Y CA 0.978 58.992 58.100 -0.143 0.000 1.249 706 Y CB -0.276 38.119 38.460 -0.109 0.000 1.146 706 Y HN 1.432 nan 8.280 nan 0.000 0.524 707 L N -0.268 120.912 121.223 -0.071 0.000 2.179 707 L HA 0.220 4.560 4.340 -0.001 0.000 0.208 707 L C 2.699 179.553 176.870 -0.026 0.000 1.096 707 L CA 1.899 56.715 54.840 -0.040 0.000 0.779 707 L CB -1.577 40.463 42.059 -0.032 0.000 0.922 707 L HN 0.936 nan 8.230 nan 0.000 0.443 708 L N -1.098 120.108 121.223 -0.029 0.000 2.395 708 L HA 0.734 5.074 4.340 -0.001 0.000 0.218 708 L C 1.815 178.684 176.870 -0.001 0.000 1.130 708 L CA 1.136 55.974 54.840 -0.002 0.000 0.826 708 L CB -1.852 40.218 42.059 0.019 0.000 0.941 708 L HN 0.955 nan 8.230 nan 0.000 0.451 709 A N -0.140 122.667 122.820 -0.023 0.000 2.296 709 A HA 0.629 4.949 4.320 -0.001 0.000 0.264 709 A C -1.346 176.231 177.584 -0.012 0.000 1.097 709 A CA -0.813 51.212 52.037 -0.020 0.000 0.811 709 A CB -0.561 18.412 19.000 -0.046 0.000 1.072 709 A HN 0.431 nan 8.150 nan 0.000 0.495 713 P HA 0.875 nan 4.420 nan 0.000 0.284 713 P C 0.532 177.803 177.300 -0.050 0.000 1.292 713 P CA 1.131 64.209 63.100 -0.037 0.000 0.800 713 P CB 1.346 33.031 31.700 -0.026 0.000 1.188 714 R N -0.641 119.834 120.500 -0.041 0.000 2.175 714 R HA 0.390 4.729 4.340 -0.001 0.000 0.202 714 R C 1.348 177.629 176.300 -0.032 0.000 1.018 714 R CA 1.781 57.854 56.100 -0.046 0.000 1.029 714 R CB -1.329 28.949 30.300 -0.037 0.000 0.959 714 R HN 0.912 nan 8.270 nan 0.000 0.480 721 K N 1.986 122.288 120.400 -0.162 0.000 2.025 721 K HA 0.338 4.657 4.320 -0.001 0.000 0.207 721 K C 2.450 178.980 176.600 -0.116 0.000 1.049 721 K CA 1.678 57.848 56.287 -0.196 0.000 0.933 721 K CB -0.359 32.059 32.500 -0.136 0.000 0.714 721 K HN 0.637 nan 8.250 nan 0.000 0.438 722 A N 1.308 124.094 122.820 -0.057 0.000 1.940 722 A HA -0.211 4.108 4.320 -0.001 0.000 0.221 722 A C 1.371 178.981 177.584 0.043 0.000 1.190 722 A CA 1.948 53.974 52.037 -0.017 0.000 0.647 722 A CB -1.397 17.595 19.000 -0.013 0.000 0.821 722 A HN 0.388 nan 8.150 nan 0.000 0.457 732 I N 0.715 121.383 120.570 0.163 0.000 4.082 732 I HA 0.497 4.667 4.170 -0.001 0.000 0.337 732 I C 0.629 176.805 176.117 0.100 0.000 1.352 732 I CA 1.469 62.861 61.300 0.153 0.000 1.097 732 I CB -1.468 36.652 38.000 0.200 0.000 1.048 732 I HN 0.912 nan 8.210 nan 0.000 0.393 733 D N 0.320 120.751 120.400 0.052 0.000 8.797 733 D HA 0.008 4.647 4.640 -0.001 0.000 0.267 733 D C -1.822 174.219 176.300 -0.431 0.000 2.451 733 D CA 0.084 54.029 54.000 -0.092 0.000 2.310 733 D CB -2.103 38.661 40.800 -0.059 0.000 0.927 733 D HN 0.451 nan 8.370 nan 0.000 0.634 734 P HA 0.171 nan 4.420 nan 0.000 0.257 734 P C 0.822 177.788 177.300 -0.556 0.000 1.281 734 P CA 0.622 63.077 63.100 -1.075 0.000 0.826 734 P CB 0.244 31.747 31.700 -0.328 0.000 1.237 735 E N 0.276 120.286 120.200 -0.318 0.000 2.076 735 E HA -0.108 4.242 4.350 -0.001 0.000 0.190 735 E C 2.248 178.813 176.600 -0.057 0.000 0.979 735 E CA 1.310 57.634 56.400 -0.126 0.000 0.807 735 E CB -0.950 28.704 29.700 -0.078 0.000 0.761 735 E HN 0.251 nan 8.360 nan 0.000 0.454 736 Q N 0.697 120.444 119.800 -0.088 0.000 2.280 736 Q HA 0.144 4.483 4.340 -0.001 0.000 0.202 736 Q C -0.134 175.979 176.000 0.188 0.000 0.903 736 Q CA 0.169 55.992 55.803 0.035 0.000 0.948 736 Q CB -0.636 28.110 28.738 0.014 0.000 1.058 736 Q HN 0.481 nan 8.270 nan 0.000 0.493 737 Y N -3.369 117.048 120.300 0.194 0.000 2.581 737 Y HA 0.879 5.429 4.550 -0.000 0.000 0.345 737 Y C -1.026 174.933 175.900 0.098 0.000 1.036 737 Y CA -3.195 54.987 58.100 0.136 0.000 1.042 737 Y CB 1.115 39.587 38.460 0.019 0.000 1.289 737 Y HN -0.038 nan 8.280 nan 0.000 0.471 738 R N 1.326 121.948 120.500 0.205 0.000 2.725 738 R HA 0.627 4.966 4.340 -0.001 0.000 0.277 738 R C -2.272 173.958 176.300 -0.116 0.000 0.987 738 R CA -0.870 55.209 56.100 -0.035 0.000 0.901 738 R CB 1.598 31.571 30.300 -0.545 0.000 1.207 738 R HN 0.698 nan 8.270 nan 0.000 0.463 739 F N 1.275 121.222 119.950 -0.005 0.000 2.334 739 F HA 0.521 5.048 4.527 -0.001 0.000 0.367 739 F C 1.057 176.906 175.800 0.081 0.000 1.115 739 F CA 0.053 58.101 58.000 0.079 0.000 1.116 739 F CB 1.648 40.694 39.000 0.077 0.000 1.230 739 F HN 0.590 nan 8.300 nan 0.000 0.484 740 G N 1.848 110.801 108.800 0.255 0.000 2.522 740 G HA2 0.451 4.411 3.960 -0.001 0.000 0.304 740 G HA3 0.451 4.411 3.960 -0.001 0.000 0.304 740 G C 0.860 175.958 174.900 0.330 0.000 1.210 740 G CA -0.195 45.034 45.100 0.214 0.000 0.960 740 G HN 0.709 nan 8.290 nan 0.000 0.497 741 I N -0.909 119.798 120.570 0.227 0.000 3.083 741 I HA 0.454 4.623 4.170 -0.001 0.000 0.273 741 I C 2.134 178.399 176.117 0.248 0.000 1.297 741 I CA 2.633 64.067 61.300 0.223 0.000 1.452 741 I CB -1.618 36.463 38.000 0.135 0.000 1.078 741 I HN 1.059 nan 8.210 nan 0.000 0.484 742 T N -1.348 113.319 114.554 0.189 0.000 3.172 742 T HA 0.406 4.756 4.350 -0.001 0.000 0.261 742 T C 0.619 175.168 174.700 -0.252 0.000 0.854 742 T CA 0.477 62.634 62.100 0.095 0.000 0.848 742 T CB 0.175 69.069 68.868 0.043 0.000 1.267 742 T HN 0.679 nan 8.240 nan 0.000 0.581 743 K N 0.180 120.309 120.400 -0.451 0.000 2.509 743 K HA 0.847 5.167 4.320 -0.001 0.000 0.266 743 K C -1.461 174.614 176.600 -0.875 0.000 0.987 743 K CA -1.002 54.742 56.287 -0.906 0.000 0.868 743 K CB 2.327 34.439 32.500 -0.647 0.000 1.421 743 K HN 0.014 nan 8.250 nan 0.000 0.444 744 I N 1.490 121.463 120.570 -0.995 0.000 2.607 744 I HA 0.462 4.631 4.170 -0.001 0.000 0.305 744 I C -1.207 174.592 176.117 -0.531 0.000 0.995 744 I CA -0.955 59.947 61.300 -0.664 0.000 1.148 744 I CB 1.131 38.611 38.000 -0.867 0.000 1.323 744 I HN 0.576 nan 8.210 nan 0.000 0.461 745 F N 5.753 125.422 119.950 -0.468 0.000 2.507 745 F HA 0.724 5.251 4.527 -0.000 0.000 0.327 745 F C 0.439 176.154 175.800 -0.142 0.000 1.068 745 F CA -0.284 57.541 58.000 -0.292 0.000 0.965 745 F CB 1.491 40.267 39.000 -0.372 0.000 1.192 745 F HN 0.303 nan 8.300 nan 0.000 0.476 746 F N 0.465 120.503 119.950 0.146 0.000 2.643 746 F HA 0.848 5.375 4.527 -0.001 0.000 0.314 746 F C -0.505 175.435 175.800 0.234 0.000 1.096 746 F CA -1.548 56.564 58.000 0.187 0.000 0.953 746 F CB 1.390 40.411 39.000 0.034 0.000 1.345 746 F HN 0.533 nan 8.300 nan 0.000 0.468 747 R N 0.000 120.603 120.500 0.172 0.000 2.786 747 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 747 R CA 0.000 56.147 56.100 0.078 0.000 0.921 747 R CB 0.000 30.305 30.300 0.009 0.000 0.687 747 R HN 0.000 nan 8.270 nan 0.000 0.535