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 2gg4_1_A DATA FIRST_RESID 8 DATA SEQUENCE RPATARKSSG LSGTVRIPGD KSISHRSFMF GGLASGETRI TGLLEGEDVI DATA SEQUENCE NTGKAMQAMG ARIRKEGDTW IIDGVGNGGL LAPEAPLDFG NAATGCRLTM DATA SEQUENCE GLVGVYDFDS TFIGDASLTK RPMGRVLNPL REMGVQVKSE DGDRLPVTLR DATA SEQUENCE GPKTPTPITY RVPMASAQVK SAVLLAGLNT PGITTVIEPI MTRDHTEKML DATA SEQUENCE QGFGANLTVE TDADGVRTIR LEGRGKLTGQ VIDVPGDPSS TAFPLVAALL DATA SEQUENCE VPGSDVTILN VLMNPTRTGL ILTLQEMGAD IEVINPRLAG GEDVADLRVR DATA SEQUENCE SSTLKGVTVP EDRAPSMIDE YPILAVAAAF AEGATVMNGL EELRVKESDR DATA SEQUENCE LSAVANGLKL NGVDCDEGET SLVVRGRPDG KGLGNASGAA VATHLDHRIA DATA SEQUENCE MSFLVMGLVS ENPVTVDDAT MIATSFPEFM DLMAGLGAKI ELS 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.296 176.300 -0.007 0.000 0.893 8 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 8 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 9 P HA 0.297 nan 4.420 nan 0.000 0.270 9 P C -0.622 176.681 177.300 0.005 0.000 1.223 9 P CA -0.191 62.905 63.100 -0.007 0.000 0.785 9 P CB 1.023 32.716 31.700 -0.011 0.000 0.923 10 A N 0.980 123.808 122.820 0.014 0.000 2.539 10 A HA 0.705 5.025 4.320 -0.000 0.000 0.296 10 A C -0.866 176.741 177.584 0.039 0.000 1.073 10 A CA -0.413 51.641 52.037 0.029 0.000 0.700 10 A CB 1.297 20.323 19.000 0.042 0.000 1.296 10 A HN 0.424 nan 8.150 nan 0.000 0.405 11 T N 1.118 115.698 114.554 0.042 0.000 2.848 11 T HA 0.699 5.049 4.350 -0.000 0.000 0.285 11 T C -0.251 174.484 174.700 0.057 0.000 0.995 11 T CA 0.102 62.232 62.100 0.050 0.000 0.970 11 T CB 1.622 70.511 68.868 0.035 0.000 0.976 11 T HN 1.404 nan 8.240 nan 0.000 0.441 12 A N 3.492 126.357 122.820 0.075 0.000 2.317 12 A HA 0.843 5.163 4.320 -0.000 0.000 0.327 12 A C -0.146 177.473 177.584 0.059 0.000 1.178 12 A CA -0.807 51.271 52.037 0.069 0.000 0.817 12 A CB 0.846 19.905 19.000 0.097 0.000 1.189 12 A HN 0.796 nan 8.150 nan 0.000 0.489 13 R N 1.036 121.559 120.500 0.038 0.000 2.740 13 R HA 0.365 4.705 4.340 -0.000 0.000 0.282 13 R C -0.481 175.832 176.300 0.022 0.000 0.969 13 R CA -0.974 55.146 56.100 0.033 0.000 0.918 13 R CB 1.965 32.279 30.300 0.024 0.000 1.175 13 R HN 0.817 nan 8.270 nan 0.000 0.464 14 K N 1.502 121.917 120.400 0.025 0.000 2.477 14 K HA -0.091 4.229 4.320 -0.000 0.000 0.275 14 K C -0.188 176.410 176.600 -0.003 0.000 1.054 14 K CA 0.605 56.899 56.287 0.011 0.000 1.135 14 K CB 0.390 32.902 32.500 0.021 0.000 0.854 14 K HN 0.450 nan 8.250 nan 0.000 0.484 15 S N 2.558 118.246 115.700 -0.019 0.000 2.616 15 S HA 0.114 4.584 4.470 -0.000 0.000 0.277 15 S C 0.910 175.497 174.600 -0.023 0.000 1.234 15 S CA -0.632 57.554 58.200 -0.024 0.000 1.028 15 S CB 1.700 64.879 63.200 -0.035 0.000 0.988 15 S HN 0.673 nan 8.310 nan 0.000 0.522 16 S N 2.049 117.737 115.700 -0.019 0.000 2.496 16 S HA 0.385 4.855 4.470 -0.000 0.000 0.224 16 S C 0.546 175.135 174.600 -0.019 0.000 0.996 16 S CA 0.653 58.843 58.200 -0.016 0.000 0.927 16 S CB -0.363 62.830 63.200 -0.012 0.000 0.774 16 S HN 1.263 nan 8.310 nan 0.000 0.524 17 G N 1.180 109.965 108.800 -0.025 0.000 2.220 17 G HA2 0.262 4.222 3.960 -0.000 0.000 0.232 17 G HA3 0.262 4.222 3.960 -0.000 0.000 0.232 17 G C -1.757 173.127 174.900 -0.026 0.000 1.680 17 G CA -0.984 44.101 45.100 -0.025 0.000 0.922 17 G HN 0.095 nan 8.290 nan 0.000 0.723 18 L N 1.447 122.652 121.223 -0.029 0.000 2.325 18 L HA 0.925 5.265 4.340 -0.000 0.000 0.279 18 L C 0.698 177.556 176.870 -0.021 0.000 1.054 18 L CA -0.744 54.079 54.840 -0.028 0.000 0.804 18 L CB 1.549 43.589 42.059 -0.031 0.000 1.200 18 L HN 0.748 nan 8.230 nan 0.000 0.436 19 S N 0.578 116.266 115.700 -0.020 0.000 2.537 19 S HA 0.909 5.379 4.470 -0.000 0.000 0.271 19 S C -0.708 173.884 174.600 -0.013 0.000 1.148 19 S CA 0.146 58.337 58.200 -0.014 0.000 0.868 19 S CB 1.676 64.868 63.200 -0.012 0.000 1.115 19 S HN 1.175 nan 8.310 nan 0.000 0.461 20 G N 1.440 110.235 108.800 -0.007 0.000 2.353 20 G HA2 0.329 4.289 3.960 -0.000 0.000 0.308 20 G HA3 0.329 4.289 3.960 -0.000 0.000 0.308 20 G C -1.387 173.515 174.900 0.003 0.000 1.418 20 G CA -0.454 44.644 45.100 -0.004 0.000 0.966 20 G HN 0.802 nan 8.290 nan 0.000 0.638 21 T N 0.428 114.986 114.554 0.007 0.000 2.792 21 T HA 0.715 5.065 4.350 -0.000 0.000 0.280 21 T C 0.200 174.912 174.700 0.021 0.000 0.990 21 T CA -0.023 62.086 62.100 0.014 0.000 0.960 21 T CB 1.286 70.162 68.868 0.012 0.000 0.939 21 T HN 1.707 nan 8.240 nan 0.000 0.439 22 V N 1.485 121.418 119.914 0.032 0.000 2.962 22 V HA 0.789 4.909 4.120 -0.000 0.000 0.313 22 V C -0.576 175.552 176.094 0.057 0.000 1.099 22 V CA -1.428 60.900 62.300 0.046 0.000 0.971 22 V CB 2.157 34.017 31.823 0.061 0.000 1.028 22 V HN 0.809 nan 8.190 nan 0.000 0.430 23 R N 2.259 122.799 120.500 0.067 0.000 2.711 23 R HA 0.743 5.083 4.340 -0.000 0.000 0.284 23 R C -1.168 175.192 176.300 0.101 0.000 0.968 23 R CA -0.816 55.325 56.100 0.069 0.000 0.924 23 R CB 1.595 31.930 30.300 0.058 0.000 1.162 23 R HN 0.777 nan 8.270 nan 0.000 0.465 24 I N 3.843 124.464 120.570 0.086 0.000 2.577 24 I HA 0.387 4.557 4.170 -0.000 0.000 0.305 24 I C -1.986 174.170 176.117 0.065 0.000 0.986 24 I CA -3.048 58.306 61.300 0.090 0.000 1.189 24 I CB 0.966 38.969 38.000 0.005 0.000 1.355 24 I HN 0.525 nan 8.210 nan 0.000 0.476 25 P HA 0.055 nan 4.420 nan 0.000 0.265 25 P C 0.302 177.612 177.300 0.016 0.000 1.193 25 P CA 0.068 63.208 63.100 0.067 0.000 0.765 25 P CB 0.361 32.119 31.700 0.097 0.000 0.823 26 G N 2.307 111.126 108.800 0.033 0.000 2.568 26 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.231 26 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.231 26 G C -0.185 174.708 174.900 -0.012 0.000 1.261 26 G CA -0.200 44.910 45.100 0.017 0.000 0.855 26 G HN 0.500 nan 8.290 nan 0.000 0.576 27 D N 0.145 120.527 120.400 -0.031 0.000 2.424 27 D HA 0.108 4.748 4.640 -0.000 0.000 0.244 27 D C 1.484 177.755 176.300 -0.049 0.000 1.134 27 D CA -0.059 53.907 54.000 -0.056 0.000 0.881 27 D CB 0.826 41.565 40.800 -0.100 0.000 1.191 27 D HN 0.348 nan 8.370 nan 0.000 0.445 28 K N 1.253 121.628 120.400 -0.040 0.000 2.057 28 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 28 K C 2.027 178.616 176.600 -0.019 0.000 1.050 28 K CA 1.084 57.356 56.287 -0.024 0.000 0.935 28 K CB 0.009 32.497 32.500 -0.020 0.000 0.715 28 K HN 0.302 nan 8.250 nan 0.000 0.439 29 S N 1.224 116.893 115.700 -0.053 0.000 2.356 29 S HA -0.089 4.381 4.470 -0.000 0.000 0.223 29 S C 1.978 176.530 174.600 -0.080 0.000 1.032 29 S CA 1.123 59.290 58.200 -0.054 0.000 1.005 29 S CB -0.201 62.969 63.200 -0.050 0.000 0.867 29 S HN 0.199 nan 8.310 nan 0.000 0.449 30 I N 1.186 121.644 120.570 -0.186 0.000 2.394 30 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 30 I C 2.347 178.443 176.117 -0.034 0.000 1.136 30 I CA 0.712 61.933 61.300 -0.131 0.000 1.425 30 I CB -0.337 37.568 38.000 -0.159 0.000 1.079 30 I HN 0.209 nan 8.210 nan 0.000 0.425 31 S N -0.286 115.403 115.700 -0.018 0.000 2.356 31 S HA -0.272 4.198 4.470 -0.000 0.000 0.223 31 S C 1.964 176.564 174.600 -0.000 0.000 1.032 31 S CA 1.634 59.840 58.200 0.011 0.000 1.005 31 S CB -0.461 62.735 63.200 -0.005 0.000 0.867 31 S HN 0.552 nan 8.310 nan 0.000 0.449 32 H N 1.573 120.593 119.070 -0.085 0.000 2.290 32 H HA 0.004 4.560 4.556 -0.000 0.000 0.298 32 H C 2.245 177.469 175.328 -0.173 0.000 1.087 32 H CA 1.842 57.830 56.048 -0.100 0.000 1.291 32 H CB -0.054 29.648 29.762 -0.100 0.000 1.369 32 H HN 0.191 nan 8.280 nan 0.000 0.492 33 R N -0.042 120.328 120.500 -0.216 0.000 2.115 33 R HA -0.101 4.239 4.340 -0.000 0.000 0.230 33 R C 2.746 178.670 176.300 -0.627 0.000 1.111 33 R CA 1.242 56.962 56.100 -0.633 0.000 0.976 33 R CB -0.171 29.826 30.300 -0.505 0.000 0.870 33 R HN 0.525 nan 8.270 nan 0.000 0.445 34 S N 0.239 115.825 115.700 -0.190 0.000 2.368 34 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 34 S C 1.850 176.411 174.600 -0.065 0.000 1.029 34 S CA 0.794 59.006 58.200 0.019 0.000 0.988 34 S CB -0.459 62.826 63.200 0.142 0.000 0.838 34 S HN 0.226 nan 8.310 nan 0.000 0.462 35 F N 1.653 121.462 119.950 -0.235 0.000 2.146 35 F HA 0.115 4.642 4.527 -0.000 0.000 0.298 35 F C 2.620 178.257 175.800 -0.271 0.000 1.096 35 F CA 1.679 59.532 58.000 -0.244 0.000 1.275 35 F CB -0.354 38.453 39.000 -0.322 0.000 1.008 35 F HN 0.222 nan 8.300 nan 0.000 0.480 36 M N -1.101 118.328 119.600 -0.286 0.000 2.067 36 M HA -0.250 4.230 4.480 -0.000 0.000 0.260 36 M C 1.995 178.207 176.300 -0.147 0.000 1.069 36 M CA 1.942 57.076 55.300 -0.277 0.000 1.117 36 M CB -0.397 31.924 32.600 -0.465 0.000 1.334 36 M HN 0.069 nan 8.290 nan 0.000 0.407 37 F N 0.397 120.110 119.950 -0.395 0.000 2.234 37 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 37 F C 2.588 178.068 175.800 -0.533 0.000 1.087 37 F CA 0.996 58.587 58.000 -0.682 0.000 1.340 37 F CB -1.945 36.178 39.000 -1.462 0.000 1.031 37 F HN 0.269 nan 8.300 nan 0.000 0.500 38 G N -0.184 108.531 108.800 -0.141 0.000 2.418 38 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 38 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 38 G C 2.048 176.922 174.900 -0.044 0.000 1.158 38 G CA 0.891 46.004 45.100 0.021 0.000 0.771 38 G HN 0.506 nan 8.290 nan 0.000 0.545 39 G N 0.175 108.907 108.800 -0.113 0.000 2.464 39 G HA2 0.039 3.999 3.960 -0.000 0.000 0.217 39 G HA3 0.039 3.999 3.960 -0.000 0.000 0.217 39 G C 1.643 176.540 174.900 -0.007 0.000 1.138 39 G CA 0.810 45.870 45.100 -0.067 0.000 0.793 39 G HN 0.386 nan 8.290 nan 0.000 0.539 40 L N 0.958 122.189 121.223 0.012 0.000 2.162 40 L HA 0.538 4.878 4.340 -0.000 0.000 0.205 40 L C 1.866 178.768 176.870 0.053 0.000 1.086 40 L CA 0.624 55.491 54.840 0.044 0.000 0.778 40 L CB -0.509 41.593 42.059 0.072 0.000 0.928 40 L HN 0.164 nan 8.230 nan 0.000 0.446 41 A N -0.563 122.295 122.820 0.063 0.000 2.406 41 A HA 0.408 4.728 4.320 -0.000 0.000 0.243 41 A C 0.513 178.157 177.584 0.099 0.000 1.082 41 A CA -0.004 52.103 52.037 0.116 0.000 0.786 41 A CB -0.126 19.047 19.000 0.288 0.000 1.029 41 A HN 0.350 nan 8.150 nan 0.000 0.495 42 S N 0.190 115.944 115.700 0.089 0.000 2.548 42 S HA 0.594 5.064 4.470 -0.000 0.000 0.277 42 S C 0.728 175.367 174.600 0.065 0.000 1.315 42 S CA 0.410 58.649 58.200 0.065 0.000 1.050 42 S CB 0.626 63.857 63.200 0.052 0.000 0.918 42 S HN 2.227 nan 8.310 nan 0.000 0.497 43 G N 2.018 110.848 108.800 0.049 0.000 2.660 43 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.247 43 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.247 43 G C -0.853 174.074 174.900 0.046 0.000 1.328 43 G CA -0.569 44.556 45.100 0.040 0.000 0.884 43 G HN 0.751 nan 8.290 nan 0.000 0.531 44 E N -0.713 119.508 120.200 0.035 0.000 2.204 44 E HA 0.666 5.016 4.350 -0.000 0.000 0.276 44 E C -0.387 176.237 176.600 0.040 0.000 0.974 44 E CA -0.426 55.994 56.400 0.034 0.000 0.815 44 E CB 1.256 30.970 29.700 0.022 0.000 1.119 44 E HN 0.513 nan 8.360 nan 0.000 0.393 45 T N 3.859 118.445 114.554 0.053 0.000 2.856 45 T HA 0.490 4.840 4.350 -0.000 0.000 0.283 45 T C -0.765 173.965 174.700 0.051 0.000 1.008 45 T CA -0.715 61.425 62.100 0.067 0.000 0.997 45 T CB 0.931 69.897 68.868 0.163 0.000 0.992 45 T HN 0.383 nan 8.240 nan 0.000 0.454 46 R N 2.536 123.068 120.500 0.053 0.000 2.439 46 R HA 0.649 4.989 4.340 -0.000 0.000 0.310 46 R C -0.919 175.444 176.300 0.104 0.000 0.955 46 R CA -0.637 55.507 56.100 0.074 0.000 0.853 46 R CB 1.664 31.992 30.300 0.046 0.000 1.171 46 R HN 0.513 nan 8.270 nan 0.000 0.449 47 I N 2.277 122.951 120.570 0.173 0.000 2.465 47 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 47 I C 0.135 176.406 176.117 0.256 0.000 1.014 47 I CA -0.715 60.713 61.300 0.213 0.000 1.093 47 I CB 2.345 40.499 38.000 0.256 0.000 1.267 47 I HN 0.650 nan 8.210 nan 0.000 0.431 48 T N 0.448 115.113 114.554 0.186 0.000 2.924 48 T HA 0.656 5.006 4.350 -0.000 0.000 0.291 48 T C 0.747 175.544 174.700 0.161 0.000 1.045 48 T CA -0.120 62.081 62.100 0.167 0.000 1.015 48 T CB 1.844 70.770 68.868 0.097 0.000 1.103 48 T HN 1.050 nan 8.240 nan 0.000 0.496 49 G N 0.240 109.132 108.800 0.153 0.000 2.148 49 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 49 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 49 G C -0.023 174.958 174.900 0.135 0.000 0.981 49 G CA 0.122 45.297 45.100 0.125 0.000 0.670 49 G HN 1.092 nan 8.290 nan 0.000 0.528 50 L N 1.112 122.454 121.223 0.199 0.000 2.540 50 L HA 0.389 4.729 4.340 -0.000 0.000 0.276 50 L C 0.786 177.712 176.870 0.092 0.000 1.212 50 L CA -0.289 54.642 54.840 0.152 0.000 0.893 50 L CB 0.539 42.712 42.059 0.191 0.000 1.138 50 L HN 0.183 nan 8.230 nan 0.000 0.491 51 L N 6.304 127.546 121.223 0.031 0.000 2.295 51 L HA 0.211 4.551 4.340 -0.000 0.000 0.288 51 L C 0.071 176.916 176.870 -0.042 0.000 1.079 51 L CA 0.189 55.037 54.840 0.014 0.000 0.830 51 L CB 0.367 42.427 42.059 0.000 0.000 1.200 51 L HN 0.745 nan 8.230 nan 0.000 0.438 52 E N 4.391 124.574 120.200 -0.027 0.000 2.261 52 E HA 0.205 4.555 4.350 -0.000 0.000 0.308 52 E C 0.653 177.200 176.600 -0.088 0.000 1.400 52 E CA -0.276 56.060 56.400 -0.105 0.000 1.542 52 E CB 0.323 30.013 29.700 -0.018 0.000 1.369 52 E HN 0.804 nan 8.360 nan 0.000 0.493 53 G N 0.712 109.459 108.800 -0.088 0.000 2.535 53 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.303 53 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.303 53 G C 0.639 175.496 174.900 -0.071 0.000 1.237 53 G CA -0.442 44.624 45.100 -0.056 0.000 0.986 53 G HN 0.361 nan 8.290 nan 0.000 0.494 54 E N -0.770 119.407 120.200 -0.038 0.000 2.070 54 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 54 E C 1.589 178.192 176.600 0.004 0.000 1.004 54 E CA 1.804 58.190 56.400 -0.025 0.000 0.805 54 E CB 0.032 29.733 29.700 0.002 0.000 0.744 54 E HN 0.500 nan 8.360 nan 0.000 0.451 55 D N -0.170 120.252 120.400 0.036 0.000 2.097 55 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 55 D C 2.113 178.499 176.300 0.144 0.000 0.989 55 D CA 1.165 55.239 54.000 0.123 0.000 0.827 55 D CB -0.136 40.701 40.800 0.062 0.000 0.966 55 D HN 0.141 nan 8.370 nan 0.000 0.456 56 V N 1.630 121.538 119.914 -0.010 0.000 2.261 56 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 56 V C 2.623 178.471 176.094 -0.410 0.000 1.047 56 V CA 1.136 63.304 62.300 -0.220 0.000 1.015 56 V CB -0.383 31.234 31.823 -0.344 0.000 0.642 56 V HN 0.150 nan 8.190 nan 0.000 0.446 57 I N 0.522 120.876 120.570 -0.360 0.000 2.091 57 I HA -0.293 3.877 4.170 -0.000 0.000 0.239 57 I C 2.415 178.367 176.117 -0.275 0.000 1.061 57 I CA 1.885 62.964 61.300 -0.369 0.000 1.317 57 I CB -0.615 37.248 38.000 -0.229 0.000 1.031 57 I HN 0.367 nan 8.210 nan 0.000 0.401 58 N N 0.282 118.870 118.700 -0.187 0.000 2.166 58 N HA -0.138 4.601 4.740 -0.000 0.000 0.186 58 N C 1.819 177.180 175.510 -0.248 0.000 1.019 58 N CA 1.715 54.599 53.050 -0.277 0.000 0.856 58 N CB -0.604 37.718 38.487 -0.275 0.000 0.993 58 N HN 0.339 nan 8.380 nan 0.000 0.426 59 T N -0.333 114.230 114.554 0.016 0.000 2.821 59 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 59 T C 1.877 176.594 174.700 0.029 0.000 1.046 59 T CA 1.256 63.448 62.100 0.154 0.000 1.139 59 T CB -0.537 68.424 68.868 0.156 0.000 0.871 59 T HN 0.378 nan 8.240 nan 0.000 0.454 60 G N 1.355 110.109 108.800 -0.077 0.000 2.422 60 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 60 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 60 G C 1.503 176.411 174.900 0.015 0.000 1.146 60 G CA 0.904 46.053 45.100 0.081 0.000 0.769 60 G HN 0.439 nan 8.290 nan 0.000 0.547 61 K N 0.456 120.791 120.400 -0.109 0.000 2.057 61 K HA 0.049 4.369 4.320 -0.000 0.000 0.207 61 K C 2.758 179.289 176.600 -0.116 0.000 1.049 61 K CA 1.227 57.441 56.287 -0.121 0.000 0.931 61 K CB -0.254 32.129 32.500 -0.195 0.000 0.714 61 K HN 0.221 nan 8.250 nan 0.000 0.440 62 A N 0.737 123.480 122.820 -0.129 0.000 1.898 62 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 62 A C 2.048 179.621 177.584 -0.019 0.000 1.181 62 A CA 1.224 53.216 52.037 -0.076 0.000 0.620 62 A CB -0.327 18.704 19.000 0.052 0.000 0.819 62 A HN 0.241 nan 8.150 nan 0.000 0.442 63 M N -0.539 119.072 119.600 0.019 0.000 2.117 63 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 63 M C 2.277 178.572 176.300 -0.008 0.000 1.065 63 M CA 1.853 57.163 55.300 0.015 0.000 1.114 63 M CB -1.448 31.172 32.600 0.034 0.000 1.361 63 M HN 0.707 nan 8.290 nan 0.000 0.408 64 Q N 0.093 119.893 119.800 0.001 0.000 2.084 64 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 64 Q C 1.983 177.958 176.000 -0.041 0.000 0.978 64 Q CA 1.931 57.730 55.803 -0.006 0.000 0.844 64 Q CB -0.080 28.665 28.738 0.011 0.000 0.898 64 Q HN 0.488 nan 8.270 nan 0.000 0.426 65 A N 0.321 123.101 122.820 -0.067 0.000 2.076 65 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 65 A C 1.643 179.151 177.584 -0.126 0.000 1.160 65 A CA 1.339 53.316 52.037 -0.100 0.000 0.653 65 A CB -0.299 18.625 19.000 -0.126 0.000 0.801 65 A HN 0.494 nan 8.150 nan 0.000 0.455 66 M N -1.637 117.897 119.600 -0.110 0.000 2.475 66 M HA 0.280 4.760 4.480 -0.000 0.000 0.283 66 M C 1.151 177.397 176.300 -0.090 0.000 1.165 66 M CA 0.652 55.868 55.300 -0.141 0.000 0.976 66 M CB 0.730 33.254 32.600 -0.127 0.000 1.428 66 M HN 0.548 nan 8.290 nan 0.000 0.495 67 G N 0.463 109.226 108.800 -0.062 0.000 2.253 67 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.209 67 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.209 67 G C 0.238 175.129 174.900 -0.014 0.000 0.997 67 G CA -0.190 44.890 45.100 -0.034 0.000 0.640 67 G HN 0.619 nan 8.290 nan 0.000 0.496 68 A N 0.685 123.497 122.820 -0.013 0.000 2.462 68 A HA 0.664 4.984 4.320 -0.000 0.000 0.243 68 A C 0.636 178.223 177.584 0.005 0.000 1.076 68 A CA 0.336 52.370 52.037 -0.006 0.000 0.773 68 A CB 0.178 19.168 19.000 -0.018 0.000 1.010 68 A HN 0.483 nan 8.150 nan 0.000 0.493 69 R N 1.550 122.056 120.500 0.010 0.000 2.229 69 R HA 0.536 4.876 4.340 -0.000 0.000 0.332 69 R C -1.148 175.177 176.300 0.041 0.000 0.989 69 R CA -0.044 56.072 56.100 0.027 0.000 0.842 69 R CB 1.014 31.328 30.300 0.023 0.000 1.119 69 R HN 0.681 nan 8.270 nan 0.000 0.456 70 I N 3.640 124.261 120.570 0.086 0.000 2.474 70 I HA 0.537 4.707 4.170 -0.000 0.000 0.294 70 I C -0.058 176.201 176.117 0.236 0.000 1.005 70 I CA -0.921 60.479 61.300 0.166 0.000 1.113 70 I CB 1.813 39.953 38.000 0.234 0.000 1.289 70 I HN 0.580 nan 8.210 nan 0.000 0.436 71 R N 3.783 124.455 120.500 0.288 0.000 2.692 71 R HA 0.597 4.937 4.340 -0.000 0.000 0.269 71 R C -1.762 174.580 176.300 0.070 0.000 1.030 71 R CA -1.162 55.046 56.100 0.179 0.000 0.882 71 R CB 2.056 32.396 30.300 0.067 0.000 1.250 71 R HN 0.462 nan 8.270 nan 0.000 0.465 72 K N 1.555 121.796 120.400 -0.266 0.000 2.376 72 K HA 0.287 4.607 4.320 -0.000 0.000 0.257 72 K C -1.274 175.105 176.600 -0.368 0.000 0.939 72 K CA -0.569 55.321 56.287 -0.661 0.000 0.809 72 K CB 1.813 33.353 32.500 -1.600 0.000 1.121 72 K HN 0.724 nan 8.250 nan 0.000 0.425 73 E N 2.898 122.935 120.200 -0.272 0.000 2.216 73 E HA 0.325 4.675 4.350 -0.000 0.000 0.260 73 E C 0.087 176.596 176.600 -0.153 0.000 0.880 73 E CA -0.643 55.658 56.400 -0.165 0.000 0.765 73 E CB 1.739 31.382 29.700 -0.094 0.000 1.174 73 E HN 0.941 nan 8.360 nan 0.000 0.417 74 G N 4.136 112.855 108.800 -0.135 0.000 2.556 74 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.283 74 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.283 74 G C 0.076 174.897 174.900 -0.132 0.000 1.177 74 G CA 0.250 45.289 45.100 -0.102 0.000 0.978 74 G HN 0.626 nan 8.290 nan 0.000 0.554 75 D N 1.456 121.802 120.400 -0.089 0.000 2.342 75 D HA 0.298 4.938 4.640 -0.000 0.000 0.221 75 D C 0.604 176.862 176.300 -0.070 0.000 1.101 75 D CA 0.924 54.881 54.000 -0.072 0.000 0.837 75 D CB 0.270 41.063 40.800 -0.013 0.000 0.938 75 D HN 0.365 nan 8.370 nan 0.000 0.508 76 T N 0.395 114.878 114.554 -0.118 0.000 2.770 76 T HA 0.266 4.616 4.350 -0.000 0.000 0.283 76 T C -0.267 174.363 174.700 -0.117 0.000 0.988 76 T CA -0.628 61.441 62.100 -0.052 0.000 0.957 76 T CB 1.089 69.951 68.868 -0.010 0.000 0.930 76 T HN -0.022 nan 8.240 nan 0.000 0.443 77 W N 3.429 124.776 121.300 0.078 0.000 2.316 77 W HA 0.524 5.184 4.660 -0.000 0.000 0.311 77 W C -0.188 176.341 176.519 0.018 0.000 1.217 77 W CA -0.881 56.520 57.345 0.092 0.000 1.199 77 W CB 0.640 30.226 29.460 0.211 0.000 1.202 77 W HN 0.312 nan 8.180 nan 0.000 0.528 78 I N 5.732 126.437 120.570 0.225 0.000 2.389 78 I HA 0.394 4.564 4.170 -0.000 0.000 0.288 78 I C -0.397 175.769 176.117 0.082 0.000 0.999 78 I CA -1.266 60.098 61.300 0.107 0.000 1.129 78 I CB 0.856 38.890 38.000 0.057 0.000 1.288 78 I HN 0.295 nan 8.210 nan 0.000 0.444 79 I N 4.879 125.456 120.570 0.012 0.000 2.436 79 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 79 I C -0.595 175.518 176.117 -0.007 0.000 1.010 79 I CA -0.622 60.652 61.300 -0.043 0.000 1.098 79 I CB 2.328 40.211 38.000 -0.195 0.000 1.266 79 I HN 0.370 nan 8.210 nan 0.000 0.434 80 D N 6.137 126.539 120.400 0.003 0.000 2.373 80 D HA 0.307 4.946 4.640 -0.000 0.000 0.227 80 D C 0.326 176.633 176.300 0.012 0.000 1.091 80 D CA -0.014 53.995 54.000 0.016 0.000 0.840 80 D CB 2.215 43.026 40.800 0.019 0.000 1.060 80 D HN 0.702 nan 8.370 nan 0.000 0.502 81 G N 0.134 108.948 108.800 0.024 0.000 2.599 81 G HA2 0.290 4.250 3.960 -0.000 0.000 0.264 81 G HA3 0.290 4.250 3.960 -0.000 0.000 0.264 81 G C 1.239 176.158 174.900 0.033 0.000 1.200 81 G CA -0.594 44.521 45.100 0.026 0.000 0.896 81 G HN 0.321 nan 8.290 nan 0.000 0.536 82 V N -1.742 118.193 119.914 0.035 0.000 3.541 82 V HA 0.529 4.649 4.120 -0.000 0.000 0.267 82 V C 1.140 177.271 176.094 0.063 0.000 1.213 82 V CA 0.409 62.736 62.300 0.044 0.000 1.149 82 V CB -1.202 30.646 31.823 0.042 0.000 0.822 82 V HN 2.126 nan 8.190 nan 0.000 0.462 83 G N 1.210 110.049 108.800 0.066 0.000 2.777 83 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 83 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 83 G C -0.532 174.424 174.900 0.093 0.000 1.177 83 G CA -0.162 44.981 45.100 0.072 0.000 0.775 83 G HN 0.823 nan 8.290 nan 0.000 0.613 84 N N 0.810 119.559 118.700 0.082 0.000 2.412 84 N HA 0.467 5.207 4.740 -0.000 0.000 0.258 84 N C 1.660 177.252 175.510 0.136 0.000 1.236 84 N CA 2.117 55.228 53.050 0.102 0.000 0.882 84 N CB 0.450 38.967 38.487 0.050 0.000 1.066 84 N HN 2.245 nan 8.380 nan 0.000 0.465 85 G N 1.792 110.747 108.800 0.258 0.000 2.159 85 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.256 85 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.256 85 G C 0.743 175.855 174.900 0.354 0.000 0.977 85 G CA 0.452 45.692 45.100 0.234 0.000 0.652 85 G HN 0.893 nan 8.290 nan 0.000 0.531 86 G N -0.303 108.681 108.800 0.306 0.000 3.126 86 G HA2 0.487 4.447 3.960 -0.000 0.000 0.224 86 G HA3 0.487 4.447 3.960 -0.000 0.000 0.224 86 G C 0.778 175.794 174.900 0.193 0.000 1.142 86 G CA -0.191 45.039 45.100 0.217 0.000 0.759 86 G HN 0.557 nan 8.290 nan 0.000 0.550 87 L N 1.371 122.697 121.223 0.173 0.000 2.525 87 L HA 0.151 4.491 4.340 -0.000 0.000 0.278 87 L C 0.232 177.198 176.870 0.160 0.000 1.218 87 L CA 0.111 54.948 54.840 -0.006 0.000 0.878 87 L CB 0.688 42.465 42.059 -0.470 0.000 1.127 87 L HN 0.010 nan 8.230 nan 0.000 0.492 88 L N 3.057 124.257 121.223 -0.039 0.000 2.325 88 L HA 0.474 4.814 4.340 -0.000 0.000 0.279 88 L C 0.599 177.072 176.870 -0.661 0.000 1.054 88 L CA -0.694 54.048 54.840 -0.164 0.000 0.804 88 L CB 1.401 43.386 42.059 -0.123 0.000 1.200 88 L HN 0.689 nan 8.230 nan 0.000 0.436 89 A N 4.491 126.752 122.820 -0.932 0.000 2.548 89 A HA 0.303 4.623 4.320 -0.000 0.000 0.247 89 A C -2.092 175.071 177.584 -0.702 0.000 1.067 89 A CA -0.794 50.378 52.037 -1.441 0.000 0.757 89 A CB -0.772 17.813 19.000 -0.692 0.000 0.996 89 A HN 0.440 nan 8.150 nan 0.000 0.504 90 P HA 0.090 nan 4.420 nan 0.000 0.271 90 P C 0.157 177.324 177.300 -0.222 0.000 1.216 90 P CA -0.104 62.805 63.100 -0.318 0.000 0.776 90 P CB 0.799 32.344 31.700 -0.258 0.000 0.881 91 E N 1.891 121.993 120.200 -0.162 0.000 2.481 91 E HA 0.268 4.618 4.350 -0.000 0.000 0.195 91 E C 0.188 176.732 176.600 -0.094 0.000 1.047 91 E CA -0.271 56.061 56.400 -0.114 0.000 0.867 91 E CB 0.200 29.846 29.700 -0.091 0.000 0.858 91 E HN 0.466 nan 8.360 nan 0.000 0.513 92 A N 1.254 124.008 122.820 -0.109 0.000 2.599 92 A HA 0.504 4.824 4.320 -0.000 0.000 0.290 92 A C -2.777 174.739 177.584 -0.114 0.000 1.101 92 A CA -1.623 50.359 52.037 -0.092 0.000 0.674 92 A CB 0.808 19.760 19.000 -0.081 0.000 1.277 92 A HN 0.037 nan 8.150 nan 0.000 0.419 93 P HA 0.278 nan 4.420 nan 0.000 0.268 93 P C -0.889 176.315 177.300 -0.159 0.000 1.208 93 P CA 0.252 63.283 63.100 -0.115 0.000 0.777 93 P CB 0.283 31.950 31.700 -0.055 0.000 0.875 94 L N 2.450 123.534 121.223 -0.233 0.000 2.268 94 L HA 0.251 4.591 4.340 -0.000 0.000 0.289 94 L C 0.816 177.607 176.870 -0.132 0.000 1.064 94 L CA -0.352 54.336 54.840 -0.254 0.000 0.824 94 L CB 0.225 42.091 42.059 -0.322 0.000 1.202 94 L HN 0.288 nan 8.230 nan 0.000 0.433 95 D N 2.718 122.995 120.400 -0.205 0.000 2.295 95 D HA 0.120 4.760 4.640 -0.000 0.000 0.248 95 D C 0.037 176.181 176.300 -0.259 0.000 1.154 95 D CA -0.115 53.822 54.000 -0.106 0.000 0.857 95 D CB 1.036 41.779 40.800 -0.095 0.000 1.117 95 D HN 0.272 nan 8.370 nan 0.000 0.468 96 F N 2.099 122.076 119.950 0.046 0.000 2.639 96 F HA 0.217 4.744 4.527 -0.000 0.000 0.300 96 F C 1.915 177.729 175.800 0.024 0.000 1.109 96 F CA 0.171 58.200 58.000 0.048 0.000 1.335 96 F CB 0.319 39.376 39.000 0.095 0.000 1.014 96 F HN 0.639 nan 8.300 nan 0.000 0.537 97 G N 1.386 110.236 108.800 0.083 0.000 2.690 97 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.334 97 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.334 97 G C 1.232 176.185 174.900 0.088 0.000 1.250 97 G CA 0.919 46.053 45.100 0.056 0.000 0.994 97 G HN 0.365 nan 8.290 nan 0.000 0.549 98 N N 1.960 120.702 118.700 0.071 0.000 2.203 98 N HA 0.376 5.116 4.740 -0.000 0.000 0.207 98 N C 0.978 176.531 175.510 0.073 0.000 1.130 98 N CA 0.852 53.939 53.050 0.062 0.000 0.861 98 N CB 0.116 38.623 38.487 0.034 0.000 1.005 98 N HN 0.876 nan 8.380 nan 0.000 0.507 99 A N 0.696 123.589 122.820 0.123 0.000 2.906 99 A HA 0.472 4.792 4.320 -0.000 0.000 0.289 99 A C 1.456 179.096 177.584 0.094 0.000 1.675 99 A CA 0.071 52.185 52.037 0.129 0.000 1.372 99 A CB -0.330 18.802 19.000 0.219 0.000 1.091 99 A HN 0.284 nan 8.150 nan 0.000 0.579 100 A N 2.193 125.022 122.820 0.014 0.000 1.902 100 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 100 A C 2.225 179.736 177.584 -0.123 0.000 1.181 100 A CA 2.420 54.428 52.037 -0.048 0.000 0.623 100 A CB -0.742 18.234 19.000 -0.039 0.000 0.818 100 A HN 0.556 nan 8.150 nan 0.000 0.443 101 T N -0.366 114.115 114.554 -0.121 0.000 2.737 101 T HA -0.013 4.337 4.350 -0.000 0.000 0.265 101 T C 2.000 176.518 174.700 -0.302 0.000 1.038 101 T CA 1.449 63.425 62.100 -0.207 0.000 1.144 101 T CB -0.664 68.075 68.868 -0.213 0.000 0.866 101 T HN 0.577 nan 8.240 nan 0.000 0.434 102 G N -0.054 108.623 108.800 -0.205 0.000 2.450 102 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 102 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 102 G C 1.991 176.651 174.900 -0.399 0.000 1.130 102 G CA 1.078 46.154 45.100 -0.039 0.000 0.760 102 G HN 0.588 nan 8.290 nan 0.000 0.557 103 C N 0.357 119.246 119.300 -0.685 0.000 2.453 103 C HA 0.122 4.582 4.460 -0.000 0.000 0.277 103 C C 3.004 177.564 174.990 -0.715 0.000 1.262 103 C CA 1.070 59.348 59.018 -1.233 0.000 1.718 103 C CB -0.818 26.562 27.740 -0.600 0.000 2.031 103 C HN 0.494 nan 8.230 nan 0.000 0.480 104 R N 0.297 120.535 120.500 -0.438 0.000 2.096 104 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 104 R C 2.190 178.324 176.300 -0.276 0.000 1.127 104 R CA 1.421 57.318 56.100 -0.339 0.000 0.968 104 R CB -0.345 29.818 30.300 -0.228 0.000 0.861 104 R HN 0.546 nan 8.270 nan 0.000 0.440 105 L N -0.268 120.821 121.223 -0.223 0.000 2.109 105 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 105 L C 2.139 178.995 176.870 -0.024 0.000 1.086 105 L CA 1.169 55.954 54.840 -0.091 0.000 0.760 105 L CB -0.612 41.426 42.059 -0.035 0.000 0.910 105 L HN 0.209 nan 8.230 nan 0.000 0.437 106 T N -0.138 114.389 114.554 -0.046 0.000 2.821 106 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 106 T C 1.993 176.735 174.700 0.070 0.000 1.046 106 T CA 1.272 63.444 62.100 0.120 0.000 1.139 106 T CB -0.123 68.921 68.868 0.294 0.000 0.871 106 T HN 0.210 nan 8.240 nan 0.000 0.454 107 M N 0.811 120.217 119.600 -0.323 0.000 2.117 107 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 107 M C 2.768 178.960 176.300 -0.180 0.000 1.065 107 M CA 1.752 56.724 55.300 -0.548 0.000 1.114 107 M CB -0.761 31.361 32.600 -0.797 0.000 1.361 107 M HN 0.391 nan 8.290 nan 0.000 0.408 108 G N 0.357 109.076 108.800 -0.135 0.000 2.421 108 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 108 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 108 G C 1.513 176.431 174.900 0.030 0.000 1.171 108 G CA 0.417 45.480 45.100 -0.061 0.000 0.775 108 G HN 0.352 nan 8.290 nan 0.000 0.543 109 L N 0.518 121.793 121.223 0.087 0.000 1.994 109 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 109 L C 2.870 179.887 176.870 0.245 0.000 1.071 109 L CA 1.583 56.525 54.840 0.169 0.000 0.745 109 L CB -0.295 41.868 42.059 0.173 0.000 0.892 109 L HN 0.184 nan 8.230 nan 0.000 0.431 110 V N -0.434 119.615 119.914 0.225 0.000 2.788 110 V HA -0.041 4.079 4.120 -0.000 0.000 0.251 110 V C 2.665 178.896 176.094 0.229 0.000 1.068 110 V CA 1.157 63.610 62.300 0.255 0.000 1.090 110 V CB -0.856 31.187 31.823 0.367 0.000 0.710 110 V HN 0.599 nan 8.190 nan 0.000 0.467 111 G N 1.330 110.224 108.800 0.157 0.000 2.469 111 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 111 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 111 G C 1.567 176.479 174.900 0.020 0.000 1.136 111 G CA 1.566 46.712 45.100 0.078 0.000 0.759 111 G HN 0.641 nan 8.290 nan 0.000 0.562 112 V N -3.062 116.864 119.914 0.019 0.000 3.510 112 V HA 0.282 4.402 4.120 -0.000 0.000 0.270 112 V C 0.777 176.745 176.094 -0.210 0.000 1.201 112 V CA -0.497 61.752 62.300 -0.084 0.000 1.166 112 V CB -1.261 30.498 31.823 -0.107 0.000 0.825 112 V HN 0.174 nan 8.190 nan 0.000 0.484 113 Y N 0.940 121.049 120.300 -0.320 0.000 2.299 113 Y HA 0.452 5.002 4.550 -0.000 0.000 0.326 113 Y C 0.912 176.457 175.900 -0.591 0.000 1.164 113 Y CA -0.573 57.180 58.100 -0.579 0.000 1.234 113 Y CB 0.850 38.621 38.460 -1.148 0.000 1.219 113 Y HN 0.068 nan 8.280 nan 0.000 0.497 114 D N 3.803 124.014 120.400 -0.316 0.000 2.934 114 D HA 0.104 4.744 4.640 -0.000 0.000 0.237 114 D C -1.423 174.884 176.300 0.011 0.000 1.158 114 D CA 0.188 54.110 54.000 -0.130 0.000 0.971 114 D CB -1.179 39.587 40.800 -0.057 0.000 1.123 114 D HN 0.273 nan 8.370 nan 0.000 0.467 115 F N -1.664 118.360 119.950 0.124 0.000 2.668 115 F HA 0.476 5.003 4.527 -0.000 0.000 0.309 115 F C -0.684 175.167 175.800 0.085 0.000 1.117 115 F CA -1.756 56.298 58.000 0.090 0.000 0.951 115 F CB 0.381 39.432 39.000 0.084 0.000 1.323 115 F HN -0.340 nan 8.300 nan 0.000 0.451 116 D N 1.384 122.024 120.400 0.401 0.000 2.350 116 D HA 0.448 5.088 4.640 -0.000 0.000 0.249 116 D C -0.711 175.777 176.300 0.313 0.000 1.119 116 D CA 0.177 54.341 54.000 0.273 0.000 0.886 116 D CB 1.588 42.478 40.800 0.150 0.000 1.195 116 D HN 0.562 nan 8.370 nan 0.000 0.437 117 S N 0.686 116.548 115.700 0.269 0.000 2.557 117 S HA 0.514 4.984 4.470 -0.000 0.000 0.291 117 S C -0.424 174.245 174.600 0.115 0.000 1.116 117 S CA -0.718 57.586 58.200 0.173 0.000 0.992 117 S CB 1.843 65.244 63.200 0.335 0.000 1.028 117 S HN 0.270 nan 8.310 nan 0.000 0.484 118 T N 3.358 117.868 114.554 -0.074 0.000 2.807 118 T HA 0.621 4.971 4.350 -0.000 0.000 0.279 118 T C -1.147 173.460 174.700 -0.155 0.000 0.993 118 T CA -0.293 61.818 62.100 0.019 0.000 0.970 118 T CB 0.296 69.178 68.868 0.023 0.000 0.950 118 T HN 0.345 nan 8.240 nan 0.000 0.441 119 F N 3.769 123.784 119.950 0.108 0.000 2.458 119 F HA 0.717 5.244 4.527 -0.000 0.000 0.336 119 F C 0.406 176.277 175.800 0.118 0.000 1.114 119 F CA -1.286 56.807 58.000 0.155 0.000 0.987 119 F CB 1.079 40.148 39.000 0.115 0.000 1.130 119 F HN 0.447 nan 8.300 nan 0.000 0.458 120 I N -0.454 120.277 120.570 0.268 0.000 3.174 120 I HA 1.097 5.267 4.170 -0.000 0.000 0.313 120 I C -0.377 175.857 176.117 0.195 0.000 1.155 120 I CA -0.949 60.455 61.300 0.174 0.000 0.977 120 I CB 2.407 40.462 38.000 0.090 0.000 1.248 120 I HN 0.655 nan 8.210 nan 0.000 0.453 121 G N 1.077 109.956 108.800 0.133 0.000 0.000 121 G HA2 0.456 4.416 3.960 -0.000 0.000 0.000 121 G HA3 0.456 4.416 3.960 -0.000 0.000 0.000 121 G C -1.941 173.003 174.900 0.073 0.000 0.000 121 G CA -0.392 44.782 45.100 0.124 0.000 0.000 121 G HN 0.924 nan 8.290 nan 0.000 0.000 122 D N -0.390 120.046 120.400 0.060 0.000 2.393 122 D HA 0.457 5.097 4.640 -0.000 0.000 0.246 122 D C 1.734 178.055 176.300 0.036 0.000 1.275 122 D CA 0.340 54.363 54.000 0.039 0.000 0.979 122 D CB 0.520 41.338 40.800 0.030 0.000 1.101 122 D HN 0.657 nan 8.370 nan 0.000 0.505 123 A N 0.188 123.024 122.820 0.026 0.000 1.917 123 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 123 A C 2.228 179.826 177.584 0.023 0.000 1.182 123 A CA 2.809 54.859 52.037 0.023 0.000 0.633 123 A CB -1.291 17.720 19.000 0.017 0.000 0.819 123 A HN 0.603 nan 8.150 nan 0.000 0.448 124 S N -0.674 115.039 115.700 0.022 0.000 2.354 124 S HA -0.194 4.276 4.470 -0.000 0.000 0.219 124 S C 1.955 176.568 174.600 0.022 0.000 1.035 124 S CA 1.786 59.998 58.200 0.020 0.000 1.037 124 S CB -0.536 62.675 63.200 0.019 0.000 0.956 124 S HN 0.563 nan 8.310 nan 0.000 0.428 125 L N 1.685 122.926 121.223 0.031 0.000 2.131 125 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 125 L C 2.391 179.280 176.870 0.031 0.000 1.092 125 L CA 2.294 57.154 54.840 0.034 0.000 0.759 125 L CB -1.367 40.728 42.059 0.059 0.000 0.903 125 L HN 0.365 nan 8.230 nan 0.000 0.435 126 T N -0.540 114.036 114.554 0.036 0.000 2.977 126 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 126 T C 1.677 176.390 174.700 0.021 0.000 1.105 126 T CA 1.235 63.355 62.100 0.034 0.000 1.116 126 T CB -0.145 68.745 68.868 0.036 0.000 0.878 126 T HN 0.424 nan 8.240 nan 0.000 0.509 127 K N 0.590 121.000 120.400 0.016 0.000 2.356 127 K HA 0.144 4.464 4.320 -0.000 0.000 0.195 127 K C 0.743 177.346 176.600 0.004 0.000 1.037 127 K CA 0.069 56.362 56.287 0.010 0.000 1.014 127 K CB 0.296 32.802 32.500 0.009 0.000 0.815 127 K HN 0.256 nan 8.250 nan 0.000 0.507 128 R N 2.699 123.200 120.500 0.002 0.000 2.491 128 R HA 0.076 4.416 4.340 -0.000 0.000 0.283 128 R C -2.332 173.958 176.300 -0.016 0.000 1.072 128 R CA -1.464 54.631 56.100 -0.008 0.000 1.048 128 R CB 0.112 30.404 30.300 -0.012 0.000 0.983 128 R HN 0.018 nan 8.270 nan 0.000 0.450 129 P HA -0.012 nan 4.420 nan 0.000 0.271 129 P C -0.288 176.988 177.300 -0.039 0.000 1.216 129 P CA 0.158 63.245 63.100 -0.023 0.000 0.776 129 P CB 0.966 32.656 31.700 -0.017 0.000 0.881 130 M N 1.517 121.088 119.600 -0.048 0.000 2.279 130 M HA 0.124 4.604 4.480 -0.000 0.000 0.306 130 M C 2.008 178.265 176.300 -0.072 0.000 0.965 130 M CA 0.293 55.546 55.300 -0.078 0.000 1.038 130 M CB -0.749 31.790 32.600 -0.102 0.000 1.636 130 M HN 0.462 nan 8.290 nan 0.000 0.574 131 G N 1.430 110.202 108.800 -0.046 0.000 2.507 131 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 131 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 131 G C 1.723 176.607 174.900 -0.027 0.000 1.119 131 G CA 0.712 45.792 45.100 -0.034 0.000 0.751 131 G HN 0.420 nan 8.290 nan 0.000 0.574 132 R N -0.582 119.906 120.500 -0.020 0.000 2.193 132 R HA 0.034 4.374 4.340 -0.000 0.000 0.229 132 R C 2.306 178.593 176.300 -0.021 0.000 1.110 132 R CA 0.893 56.998 56.100 0.008 0.000 0.988 132 R CB -0.158 30.148 30.300 0.011 0.000 0.871 132 R HN 0.384 nan 8.270 nan 0.000 0.458 133 V N 0.453 120.324 119.914 -0.073 0.000 2.795 133 V HA -0.042 4.078 4.120 -0.000 0.000 0.243 133 V C 2.023 178.031 176.094 -0.143 0.000 1.069 133 V CA 0.761 62.989 62.300 -0.120 0.000 1.089 133 V CB 0.013 31.747 31.823 -0.148 0.000 0.756 133 V HN 0.203 nan 8.190 nan 0.000 0.471 134 L N 0.285 121.436 121.223 -0.120 0.000 2.093 134 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 134 L C 2.409 179.221 176.870 -0.096 0.000 1.085 134 L CA 1.190 55.964 54.840 -0.111 0.000 0.755 134 L CB -0.711 41.295 42.059 -0.087 0.000 0.904 134 L HN 0.375 nan 8.230 nan 0.000 0.435 135 N N 0.217 118.871 118.700 -0.077 0.000 2.043 135 N HA -0.129 4.611 4.740 -0.000 0.000 0.193 135 N C -0.753 174.683 175.510 -0.124 0.000 1.037 135 N CA 1.629 54.645 53.050 -0.057 0.000 0.851 135 N CB -1.465 37.028 38.487 0.011 0.000 1.027 135 N HN 0.279 nan 8.380 nan 0.000 0.422 136 P HA -0.065 nan 4.420 nan 0.000 0.221 136 P C 1.726 178.859 177.300 -0.279 0.000 1.150 136 P CA 0.850 63.660 63.100 -0.483 0.000 0.800 136 P CB 0.047 31.134 31.700 -1.021 0.000 0.787 137 L N -0.483 120.618 121.223 -0.204 0.000 2.046 137 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 137 L C 2.993 179.803 176.870 -0.100 0.000 1.077 137 L CA 1.528 56.285 54.840 -0.139 0.000 0.747 137 L CB -0.645 41.343 42.059 -0.119 0.000 0.896 137 L HN -0.104 nan 8.230 nan 0.000 0.432 138 R N 0.046 120.495 120.500 -0.086 0.000 2.096 138 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 138 R C 2.027 178.297 176.300 -0.050 0.000 1.127 138 R CA 1.316 57.383 56.100 -0.055 0.000 0.968 138 R CB -0.250 30.026 30.300 -0.040 0.000 0.861 138 R HN 0.482 nan 8.270 nan 0.000 0.440 139 E N 0.121 120.283 120.200 -0.064 0.000 2.338 139 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 139 E C 1.485 178.054 176.600 -0.050 0.000 1.007 139 E CA 0.832 57.206 56.400 -0.045 0.000 0.849 139 E CB 0.056 29.732 29.700 -0.039 0.000 0.774 139 E HN 0.372 nan 8.360 nan 0.000 0.506 140 M N -0.841 118.716 119.600 -0.072 0.000 2.495 140 M HA 0.155 4.635 4.480 -0.000 0.000 0.237 140 M C 0.956 177.222 176.300 -0.057 0.000 1.131 140 M CA 0.417 55.677 55.300 -0.066 0.000 1.032 140 M CB 1.086 33.635 32.600 -0.084 0.000 1.513 140 M HN 0.249 nan 8.290 nan 0.000 0.488 141 G N 0.447 109.218 108.800 -0.048 0.000 2.163 141 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.213 141 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.213 141 G C -0.047 174.830 174.900 -0.038 0.000 0.991 141 G CA -0.484 44.592 45.100 -0.039 0.000 0.653 141 G HN 0.256 nan 8.290 nan 0.000 0.518 142 V N 1.709 121.597 119.914 -0.043 0.000 2.555 142 V HA 0.376 4.496 4.120 -0.000 0.000 0.286 142 V C 0.926 177.009 176.094 -0.018 0.000 1.044 142 V CA 0.044 62.324 62.300 -0.033 0.000 1.026 142 V CB 1.702 33.502 31.823 -0.039 0.000 0.981 142 V HN 0.503 nan 8.190 nan 0.000 0.480 143 Q N 3.756 123.555 119.800 -0.003 0.000 2.288 143 Q HA 0.439 4.779 4.340 -0.000 0.000 0.258 143 Q C -1.267 174.742 176.000 0.016 0.000 0.957 143 Q CA -0.305 55.502 55.803 0.007 0.000 0.919 143 Q CB 1.424 30.172 28.738 0.017 0.000 1.185 143 Q HN 0.614 nan 8.270 nan 0.000 0.408 144 V N 4.977 124.897 119.914 0.009 0.000 2.495 144 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 144 V C -0.619 175.487 176.094 0.021 0.000 1.031 144 V CA -0.685 61.622 62.300 0.013 0.000 0.871 144 V CB 1.850 33.667 31.823 -0.011 0.000 0.988 144 V HN 0.736 nan 8.190 nan 0.000 0.432 145 K N 3.353 123.775 120.400 0.036 0.000 2.502 145 K HA 0.712 5.032 4.320 -0.000 0.000 0.254 145 K C -0.573 176.051 176.600 0.041 0.000 0.947 145 K CA -0.293 56.017 56.287 0.037 0.000 0.834 145 K CB 2.010 34.539 32.500 0.048 0.000 1.112 145 K HN 0.895 nan 8.250 nan 0.000 0.427 146 S N 1.347 117.063 115.700 0.027 0.000 2.685 146 S HA 0.492 4.962 4.470 -0.000 0.000 0.282 146 S C -0.682 173.931 174.600 0.022 0.000 1.159 146 S CA -1.111 57.104 58.200 0.026 0.000 0.833 146 S CB 1.849 65.053 63.200 0.008 0.000 1.151 146 S HN 0.300 nan 8.310 nan 0.000 0.485 147 E N 0.919 121.131 120.200 0.021 0.000 2.267 147 E HA 0.324 4.674 4.350 -0.000 0.000 0.258 147 E C 0.323 176.930 176.600 0.011 0.000 1.074 147 E CA -0.366 56.044 56.400 0.018 0.000 0.915 147 E CB 0.216 29.929 29.700 0.022 0.000 1.186 147 E HN 0.746 nan 8.360 nan 0.000 0.439 148 D N 0.693 121.099 120.400 0.010 0.000 3.950 148 D HA -0.250 4.390 4.640 -0.000 0.000 0.220 148 D C 0.818 177.120 176.300 0.003 0.000 0.728 148 D CA 1.976 55.980 54.000 0.007 0.000 0.821 148 D CB -1.012 39.791 40.800 0.006 0.000 0.384 148 D HN 0.643 nan 8.370 nan 0.000 0.299 149 G N 0.461 109.262 108.800 0.001 0.000 3.636 149 G HA2 0.289 4.249 3.960 -0.000 0.000 0.260 149 G HA3 0.289 4.249 3.960 -0.000 0.000 0.260 149 G C -0.551 174.346 174.900 -0.006 0.000 1.014 149 G CA 0.115 45.214 45.100 -0.002 0.000 1.797 149 G HN 0.408 nan 8.290 nan 0.000 0.637 150 D N -0.392 120.005 120.400 -0.006 0.000 2.828 150 D HA -0.133 4.506 4.640 -0.000 0.000 0.241 150 D C 0.699 176.990 176.300 -0.016 0.000 1.142 150 D CA 1.031 55.023 54.000 -0.013 0.000 0.755 150 D CB -0.457 40.330 40.800 -0.022 0.000 1.014 150 D HN 0.556 nan 8.370 nan 0.000 0.420 151 R N -0.333 120.164 120.500 -0.005 0.000 2.892 151 R HA 0.671 5.011 4.340 -0.000 0.000 0.265 151 R C 0.460 176.769 176.300 0.014 0.000 1.025 151 R CA -1.082 55.018 56.100 -0.001 0.000 0.982 151 R CB 1.216 31.519 30.300 0.005 0.000 1.185 151 R HN -0.001 nan 8.270 nan 0.000 0.484 152 L N 2.869 124.108 121.223 0.026 0.000 2.473 152 L HA 0.206 4.546 4.340 -0.000 0.000 0.268 152 L C -1.767 175.135 176.870 0.053 0.000 1.215 152 L CA -1.540 53.334 54.840 0.058 0.000 0.823 152 L CB 0.139 42.247 42.059 0.081 0.000 1.099 152 L HN 0.294 nan 8.230 nan 0.000 0.483 153 P HA 0.151 nan 4.420 nan 0.000 0.274 153 P C -1.010 176.350 177.300 0.099 0.000 1.231 153 P CA -0.215 62.942 63.100 0.095 0.000 0.790 153 P CB 1.496 33.246 31.700 0.083 0.000 0.951 154 V N 2.241 122.248 119.914 0.155 0.000 2.656 154 V HA 0.375 4.495 4.120 -0.000 0.000 0.307 154 V C 0.163 176.395 176.094 0.230 0.000 1.051 154 V CA -0.255 62.133 62.300 0.147 0.000 0.893 154 V CB 2.192 34.066 31.823 0.084 0.000 0.999 154 V HN 0.546 nan 8.190 nan 0.000 0.426 155 T N 6.244 120.897 114.554 0.164 0.000 2.807 155 T HA 0.719 5.069 4.350 -0.000 0.000 0.279 155 T C -0.590 174.211 174.700 0.169 0.000 0.993 155 T CA -0.295 61.913 62.100 0.181 0.000 0.970 155 T CB 0.949 69.887 68.868 0.116 0.000 0.950 155 T HN 0.355 nan 8.240 nan 0.000 0.441 156 L N 2.805 124.164 121.223 0.227 0.000 2.354 156 L HA 0.835 5.175 4.340 -0.000 0.000 0.269 156 L C -0.228 176.735 176.870 0.155 0.000 1.005 156 L CA -1.203 53.741 54.840 0.173 0.000 0.819 156 L CB 1.866 44.051 42.059 0.211 0.000 1.311 156 L HN 0.372 nan 8.230 nan 0.000 0.423 157 R N 1.280 121.834 120.500 0.090 0.000 2.569 157 R HA 0.498 4.838 4.340 -0.000 0.000 0.293 157 R C -0.623 175.685 176.300 0.013 0.000 1.186 157 R CA -0.337 55.803 56.100 0.067 0.000 0.956 157 R CB 1.359 31.701 30.300 0.069 0.000 1.196 157 R HN 0.715 nan 8.270 nan 0.000 0.444 158 G N 4.093 112.874 108.800 -0.031 0.000 2.572 158 G HA2 0.402 4.362 3.960 -0.000 0.000 0.261 158 G HA3 0.402 4.362 3.960 -0.000 0.000 0.261 158 G C -2.266 172.599 174.900 -0.059 0.000 1.197 158 G CA -1.039 44.023 45.100 -0.063 0.000 0.870 158 G HN 0.539 nan 8.290 nan 0.000 0.548 159 P HA 0.151 nan 4.420 nan 0.000 0.276 159 P C 0.452 177.712 177.300 -0.066 0.000 1.261 159 P CA -0.496 62.575 63.100 -0.049 0.000 0.800 159 P CB 1.648 33.320 31.700 -0.046 0.000 1.066 160 K N -0.121 120.250 120.400 -0.047 0.000 2.103 160 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 160 K C -0.019 176.536 176.600 -0.075 0.000 1.048 160 K CA 1.360 57.616 56.287 -0.051 0.000 0.930 160 K CB -0.219 32.263 32.500 -0.029 0.000 0.716 160 K HN 0.433 nan 8.250 nan 0.000 0.444 161 T N 3.479 117.992 114.554 -0.068 0.000 2.985 161 T HA 0.314 4.663 4.350 -0.000 0.000 0.315 161 T C -2.713 171.942 174.700 -0.074 0.000 1.001 161 T CA -1.441 60.614 62.100 -0.076 0.000 1.016 161 T CB 1.982 70.817 68.868 -0.054 0.000 0.993 161 T HN 0.126 nan 8.240 nan 0.000 0.454 162 P HA 0.326 nan 4.420 nan 0.000 0.276 162 P C -0.335 176.927 177.300 -0.064 0.000 1.252 162 P CA -0.337 62.714 63.100 -0.081 0.000 0.802 162 P CB 0.780 32.417 31.700 -0.104 0.000 1.035 163 T N 1.060 115.583 114.554 -0.053 0.000 2.824 163 T HA 0.445 4.795 4.350 -0.000 0.000 0.280 163 T C -2.443 172.233 174.700 -0.040 0.000 0.995 163 T CA -2.581 59.495 62.100 -0.040 0.000 1.009 163 T CB 0.482 69.333 68.868 -0.029 0.000 0.955 163 T HN 0.244 nan 8.240 nan 0.000 0.452 164 P HA 0.388 nan 4.420 nan 0.000 0.274 164 P C -0.617 176.675 177.300 -0.013 0.000 1.237 164 P CA -0.382 62.702 63.100 -0.026 0.000 0.793 164 P CB 0.672 32.361 31.700 -0.020 0.000 0.977 165 I N -3.364 117.205 120.570 -0.002 0.000 3.074 165 I HA 0.552 4.722 4.170 -0.000 0.000 0.310 165 I C -0.859 175.290 176.117 0.054 0.000 1.153 165 I CA -0.919 60.396 61.300 0.025 0.000 0.993 165 I CB 2.238 40.253 38.000 0.024 0.000 1.237 165 I HN -0.001 nan 8.210 nan 0.000 0.443 166 T N 2.498 117.098 114.554 0.077 0.000 2.874 166 T HA 0.335 4.685 4.350 -0.000 0.000 0.321 166 T C -1.207 173.578 174.700 0.141 0.000 1.075 166 T CA -0.034 62.114 62.100 0.080 0.000 0.966 166 T CB -0.192 68.701 68.868 0.041 0.000 1.001 166 T HN 0.477 nan 8.240 nan 0.000 0.476 167 Y N 3.475 123.769 120.300 -0.011 0.000 2.353 167 Y HA 0.421 4.971 4.550 -0.000 0.000 0.340 167 Y C 0.526 176.420 175.900 -0.010 0.000 0.972 167 Y CA -1.123 56.970 58.100 -0.011 0.000 1.157 167 Y CB 0.569 39.022 38.460 -0.013 0.000 1.157 167 Y HN 0.400 nan 8.280 nan 0.000 0.495 168 R N 5.134 125.391 120.500 -0.406 0.000 2.204 168 R HA 0.272 4.612 4.340 -0.000 0.000 0.341 168 R C -0.936 175.012 176.300 -0.586 0.000 1.035 168 R CA -0.677 55.224 56.100 -0.333 0.000 0.887 168 R CB 0.948 31.112 30.300 -0.227 0.000 1.114 168 R HN 0.458 nan 8.270 nan 0.000 0.473 169 V N 6.987 126.676 119.914 -0.375 0.000 2.441 169 V HA -0.042 4.078 4.120 -0.000 0.000 0.279 169 V C -0.921 175.034 176.094 -0.230 0.000 0.990 169 V CA -0.705 61.419 62.300 -0.294 0.000 1.116 169 V CB 0.552 32.342 31.823 -0.056 0.000 0.977 169 V HN 0.702 nan 8.190 nan 0.000 0.470 170 P HA -0.205 nan 4.420 nan 0.000 0.218 170 P C 0.337 177.587 177.300 -0.083 0.000 1.150 170 P CA 1.535 64.548 63.100 -0.145 0.000 0.841 170 P CB 0.290 31.932 31.700 -0.097 0.000 0.784 171 M N -1.876 117.688 119.600 -0.060 0.000 2.206 171 M HA 0.579 5.059 4.480 -0.000 0.000 0.272 171 M C -1.238 175.048 176.300 -0.023 0.000 1.012 171 M CA -0.955 54.324 55.300 -0.035 0.000 0.986 171 M CB 2.289 34.876 32.600 -0.021 0.000 1.740 171 M HN -0.161 nan 8.290 nan 0.000 0.472 172 A N 3.500 126.306 122.820 -0.024 0.000 2.538 172 A HA 0.199 4.519 4.320 -0.000 0.000 0.280 172 A C 0.033 177.615 177.584 -0.003 0.000 0.987 172 A CA 1.363 53.392 52.037 -0.014 0.000 0.992 172 A CB -0.566 18.427 19.000 -0.013 0.000 0.841 172 A HN 0.890 nan 8.150 nan 0.000 0.478 173 S N 2.024 117.727 115.700 0.006 0.000 2.720 173 S HA 0.554 5.024 4.470 -0.000 0.000 0.278 173 S C 0.771 175.380 174.600 0.016 0.000 1.172 173 S CA 0.144 58.351 58.200 0.011 0.000 1.019 173 S CB 1.044 64.255 63.200 0.018 0.000 1.049 173 S HN 1.709 nan 8.310 nan 0.000 0.483 174 A N 3.782 126.607 122.820 0.008 0.000 1.933 174 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 174 A C 1.910 179.503 177.584 0.014 0.000 1.175 174 A CA 1.876 53.919 52.037 0.010 0.000 0.628 174 A CB -0.678 18.324 19.000 0.004 0.000 0.814 174 A HN 0.860 nan 8.150 nan 0.000 0.444 175 Q N -0.372 119.429 119.800 0.002 0.000 2.079 175 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 175 Q C 1.889 177.883 176.000 -0.010 0.000 0.974 175 Q CA 1.916 57.709 55.803 -0.017 0.000 0.840 175 Q CB -0.185 28.530 28.738 -0.038 0.000 0.898 175 Q HN 0.391 nan 8.270 nan 0.000 0.430 176 V N 1.180 121.102 119.914 0.013 0.000 2.307 176 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 176 V C 2.358 178.487 176.094 0.058 0.000 1.045 176 V CA 2.116 64.439 62.300 0.037 0.000 1.024 176 V CB -0.709 31.174 31.823 0.099 0.000 0.651 176 V HN 0.415 nan 8.190 nan 0.000 0.449 177 K N 0.331 120.774 120.400 0.072 0.000 2.044 177 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 177 K C 2.318 178.952 176.600 0.057 0.000 1.049 177 K CA 2.101 58.434 56.287 0.078 0.000 0.927 177 K CB -0.272 32.263 32.500 0.058 0.000 0.713 177 K HN 0.437 nan 8.250 nan 0.000 0.443 178 S N 0.537 116.265 115.700 0.047 0.000 2.356 178 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 178 S C 2.070 176.697 174.600 0.045 0.000 1.032 178 S CA 1.207 59.443 58.200 0.060 0.000 1.005 178 S CB -0.371 62.858 63.200 0.048 0.000 0.867 178 S HN 0.561 nan 8.310 nan 0.000 0.449 179 A N 1.112 123.934 122.820 0.003 0.000 1.908 179 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 179 A C 2.342 179.906 177.584 -0.033 0.000 1.181 179 A CA 1.650 53.670 52.037 -0.029 0.000 0.627 179 A CB -0.901 18.052 19.000 -0.078 0.000 0.818 179 A HN 0.354 nan 8.150 nan 0.000 0.445 180 V N 0.080 119.969 119.914 -0.041 0.000 2.358 180 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 180 V C 2.548 178.635 176.094 -0.011 0.000 1.047 180 V CA 1.816 64.078 62.300 -0.065 0.000 1.035 180 V CB -0.793 30.989 31.823 -0.067 0.000 0.658 180 V HN 0.561 nan 8.190 nan 0.000 0.452 181 L N -0.668 120.572 121.223 0.028 0.000 2.046 181 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 181 L C 2.435 179.336 176.870 0.051 0.000 1.077 181 L CA 1.518 56.383 54.840 0.042 0.000 0.747 181 L CB -0.557 41.543 42.059 0.067 0.000 0.896 181 L HN 0.307 nan 8.230 nan 0.000 0.432 182 L N -0.413 120.860 121.223 0.083 0.000 2.046 182 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 182 L C 2.905 179.821 176.870 0.078 0.000 1.077 182 L CA 1.143 56.054 54.840 0.117 0.000 0.747 182 L CB -0.777 41.373 42.059 0.151 0.000 0.896 182 L HN 0.241 nan 8.230 nan 0.000 0.432 183 A N 0.455 123.296 122.820 0.034 0.000 1.940 183 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 183 A C 2.393 179.968 177.584 -0.016 0.000 1.176 183 A CA 1.755 53.794 52.037 0.004 0.000 0.631 183 A CB -1.245 17.728 19.000 -0.045 0.000 0.814 183 A HN 0.458 nan 8.150 nan 0.000 0.446 184 G N -0.237 108.555 108.800 -0.013 0.000 2.448 184 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 184 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 184 G C 1.464 176.348 174.900 -0.026 0.000 1.127 184 G CA 0.921 46.007 45.100 -0.023 0.000 0.766 184 G HN 0.462 nan 8.290 nan 0.000 0.552 185 L N 0.092 121.311 121.223 -0.007 0.000 2.127 185 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 185 L C 2.136 178.986 176.870 -0.035 0.000 1.089 185 L CA 1.095 55.930 54.840 -0.009 0.000 0.757 185 L CB -0.189 41.886 42.059 0.026 0.000 0.899 185 L HN 0.200 nan 8.230 nan 0.000 0.434 186 N N -1.106 117.546 118.700 -0.081 0.000 2.238 186 N HA 0.025 4.765 4.740 -0.000 0.000 0.222 186 N C -0.560 174.828 175.510 -0.204 0.000 1.133 186 N CA 0.072 52.988 53.050 -0.223 0.000 0.854 186 N CB 0.406 38.558 38.487 -0.558 0.000 1.041 186 N HN -0.021 nan 8.380 nan 0.000 0.510 187 T N 2.414 116.895 114.554 -0.121 0.000 2.779 187 T HA 0.391 4.741 4.350 -0.000 0.000 0.280 187 T C -2.766 171.891 174.700 -0.072 0.000 0.987 187 T CA -1.356 60.684 62.100 -0.100 0.000 0.966 187 T CB 2.180 71.001 68.868 -0.079 0.000 0.933 187 T HN 0.073 nan 8.240 nan 0.000 0.442 188 P HA 0.406 nan 4.420 nan 0.000 0.272 188 P C 0.574 177.852 177.300 -0.037 0.000 1.223 188 P CA 0.482 63.553 63.100 -0.048 0.000 0.784 188 P CB 0.608 32.281 31.700 -0.046 0.000 0.923 189 G N 1.831 110.614 108.800 -0.028 0.000 2.660 189 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 189 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 189 G C -1.204 173.685 174.900 -0.018 0.000 1.345 189 G CA -0.483 44.605 45.100 -0.021 0.000 0.877 189 G HN 0.502 nan 8.290 nan 0.000 0.549 190 I N 1.082 121.645 120.570 -0.012 0.000 2.330 190 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 190 I C 0.810 176.925 176.117 -0.003 0.000 1.001 190 I CA -0.266 61.030 61.300 -0.007 0.000 1.193 190 I CB 1.543 39.542 38.000 -0.003 0.000 1.345 190 I HN 0.512 nan 8.210 nan 0.000 0.461 191 T N 4.964 119.517 114.554 -0.003 0.000 2.845 191 T HA 0.572 4.922 4.350 -0.000 0.000 0.288 191 T C 0.008 174.719 174.700 0.018 0.000 0.980 191 T CA -0.353 61.750 62.100 0.005 0.000 1.071 191 T CB 0.714 69.580 68.868 -0.004 0.000 0.941 191 T HN 0.564 nan 8.240 nan 0.000 0.487 192 T N 2.544 117.118 114.554 0.034 0.000 2.861 192 T HA 0.573 4.923 4.350 -0.000 0.000 0.287 192 T C -0.685 174.056 174.700 0.068 0.000 1.003 192 T CA -0.567 61.556 62.100 0.040 0.000 0.977 192 T CB 1.514 70.400 68.868 0.030 0.000 0.996 192 T HN 0.313 nan 8.240 nan 0.000 0.448 193 V N 3.981 123.933 119.914 0.063 0.000 2.540 193 V HA 0.554 4.674 4.120 -0.000 0.000 0.302 193 V C -0.526 175.592 176.094 0.040 0.000 1.035 193 V CA -0.807 61.543 62.300 0.084 0.000 0.873 193 V CB 1.647 33.525 31.823 0.093 0.000 0.992 193 V HN 0.793 nan 8.190 nan 0.000 0.428 194 I N 5.045 125.625 120.570 0.016 0.000 2.382 194 I HA 0.468 4.638 4.170 -0.000 0.000 0.286 194 I C -0.095 176.005 176.117 -0.029 0.000 1.002 194 I CA -0.375 60.918 61.300 -0.011 0.000 1.135 194 I CB 1.600 39.584 38.000 -0.027 0.000 1.288 194 I HN 0.756 nan 8.210 nan 0.000 0.448 195 E N 7.696 127.885 120.200 -0.018 0.000 2.199 195 E HA 0.403 4.753 4.350 -0.000 0.000 0.269 195 E C -2.387 174.198 176.600 -0.025 0.000 0.899 195 E CA -1.997 54.388 56.400 -0.025 0.000 0.772 195 E CB 2.269 31.964 29.700 -0.010 0.000 1.155 195 E HN 0.248 nan 8.360 nan 0.000 0.408 196 P HA -0.117 nan 4.420 nan 0.000 0.216 196 P C 0.254 177.543 177.300 -0.019 0.000 1.150 196 P CA 1.138 64.222 63.100 -0.027 0.000 0.837 196 P CB 0.463 32.145 31.700 -0.031 0.000 0.786 197 I N -1.506 119.054 120.570 -0.016 0.000 2.934 197 I HA 0.336 4.506 4.170 -0.000 0.000 0.306 197 I C 0.383 176.493 176.117 -0.011 0.000 1.110 197 I CA -1.591 59.702 61.300 -0.012 0.000 1.019 197 I CB 2.446 40.441 38.000 -0.009 0.000 1.227 197 I HN -0.224 nan 8.210 nan 0.000 0.434 198 M N 4.185 123.778 119.600 -0.011 0.000 2.217 198 M HA 0.237 4.717 4.480 -0.000 0.000 0.352 198 M C -0.115 176.174 176.300 -0.018 0.000 1.376 198 M CA 0.292 55.583 55.300 -0.015 0.000 1.107 198 M CB 0.470 33.061 32.600 -0.016 0.000 1.723 198 M HN 0.812 nan 8.290 nan 0.000 0.461 199 T N 2.473 117.013 114.554 -0.023 0.000 2.919 199 T HA 0.533 4.883 4.350 -0.000 0.000 0.282 199 T C -0.078 174.587 174.700 -0.058 0.000 1.020 199 T CA -1.090 60.994 62.100 -0.027 0.000 0.994 199 T CB 0.796 69.655 68.868 -0.014 0.000 1.180 199 T HN 0.774 nan 8.240 nan 0.000 0.566 200 R N 1.700 122.154 120.500 -0.076 0.000 2.500 200 R HA 0.071 4.411 4.340 -0.000 0.000 0.281 200 R C 0.031 176.214 176.300 -0.195 0.000 0.953 200 R CA 0.492 56.481 56.100 -0.185 0.000 1.108 200 R CB -0.046 30.169 30.300 -0.141 0.000 0.901 200 R HN 0.811 nan 8.270 nan 0.000 0.410 201 D N 1.548 121.768 120.400 -0.301 0.000 2.670 201 D HA 0.013 4.653 4.640 -0.000 0.000 0.255 201 D C 0.392 176.631 176.300 -0.101 0.000 1.286 201 D CA -0.222 53.692 54.000 -0.144 0.000 0.830 201 D CB 0.018 40.770 40.800 -0.080 0.000 1.065 201 D HN 0.492 nan 8.370 nan 0.000 0.486 202 H N 0.401 119.516 119.070 0.075 0.000 2.421 202 H HA -0.057 4.499 4.556 -0.000 0.000 0.298 202 H C 1.333 176.756 175.328 0.160 0.000 1.087 202 H CA 1.661 57.770 56.048 0.102 0.000 1.330 202 H CB -0.310 29.498 29.762 0.076 0.000 1.388 202 H HN 0.213 nan 8.280 nan 0.000 0.526 203 T N 1.100 115.805 114.554 0.253 0.000 2.737 203 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 203 T C 1.912 176.771 174.700 0.265 0.000 1.038 203 T CA 1.442 63.730 62.100 0.312 0.000 1.144 203 T CB 0.005 69.015 68.868 0.237 0.000 0.866 203 T HN 0.382 nan 8.240 nan 0.000 0.434 204 E N 1.163 121.457 120.200 0.156 0.000 2.031 204 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 204 E C 2.419 179.093 176.600 0.124 0.000 0.994 204 E CA 0.901 57.364 56.400 0.106 0.000 0.800 204 E CB -0.083 29.653 29.700 0.061 0.000 0.752 204 E HN 0.198 nan 8.360 nan 0.000 0.447 205 K N 0.104 120.591 120.400 0.146 0.000 2.009 205 K HA -0.083 4.237 4.320 -0.000 0.000 0.210 205 K C 2.202 178.934 176.600 0.220 0.000 1.049 205 K CA 1.363 57.746 56.287 0.161 0.000 0.929 205 K CB -0.357 32.249 32.500 0.177 0.000 0.714 205 K HN 0.213 nan 8.250 nan 0.000 0.440 206 M N 0.218 120.016 119.600 0.330 0.000 2.229 206 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 206 M C 1.920 178.443 176.300 0.372 0.000 1.063 206 M CA 0.798 56.388 55.300 0.483 0.000 1.114 206 M CB -0.087 32.911 32.600 0.662 0.000 1.387 206 M HN -0.034 nan 8.290 nan 0.000 0.420 207 L N 0.335 121.637 121.223 0.132 0.000 2.017 207 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 207 L C 2.324 179.201 176.870 0.011 0.000 1.073 207 L CA 1.989 56.729 54.840 -0.168 0.000 0.745 207 L CB -1.144 40.835 42.059 -0.134 0.000 0.894 207 L HN 0.366 nan 8.230 nan 0.000 0.432 208 Q N -1.266 118.573 119.800 0.065 0.000 2.084 208 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 208 Q C 2.093 178.140 176.000 0.078 0.000 0.978 208 Q CA 1.362 57.200 55.803 0.059 0.000 0.844 208 Q CB -0.543 28.229 28.738 0.056 0.000 0.898 208 Q HN 0.624 nan 8.270 nan 0.000 0.426 209 G N -0.200 108.682 108.800 0.136 0.000 2.448 209 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 209 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 209 G C 0.756 175.652 174.900 -0.007 0.000 1.127 209 G CA 0.355 45.508 45.100 0.089 0.000 0.766 209 G HN 0.232 nan 8.290 nan 0.000 0.552 210 F N 0.519 120.454 119.950 -0.025 0.000 2.660 210 F HA 0.373 4.900 4.527 -0.000 0.000 0.302 210 F C 1.849 177.611 175.800 -0.063 0.000 1.103 210 F CA 0.172 58.142 58.000 -0.050 0.000 1.340 210 F CB 0.606 39.535 39.000 -0.117 0.000 1.048 210 F HN 0.231 nan 8.300 nan 0.000 0.551 211 G N 0.184 109.020 108.800 0.059 0.000 2.141 211 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.231 211 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.231 211 G C 0.399 175.307 174.900 0.014 0.000 0.984 211 G CA -0.156 44.958 45.100 0.024 0.000 0.660 211 G HN 0.614 nan 8.290 nan 0.000 0.525 212 A N -0.184 122.638 122.820 0.003 0.000 2.386 212 A HA 0.604 4.924 4.320 -0.000 0.000 0.248 212 A C 0.580 178.157 177.584 -0.011 0.000 1.082 212 A CA 0.389 52.412 52.037 -0.023 0.000 0.789 212 A CB 0.382 19.342 19.000 -0.067 0.000 1.025 212 A HN 0.811 nan 8.150 nan 0.000 0.490 213 N N 1.251 119.944 118.700 -0.012 0.000 2.719 213 N HA 0.348 5.088 4.740 -0.000 0.000 0.243 213 N C -1.166 174.341 175.510 -0.005 0.000 1.104 213 N CA 0.044 53.090 53.050 -0.006 0.000 0.981 213 N CB -0.208 38.276 38.487 -0.006 0.000 1.290 213 N HN 0.590 nan 8.380 nan 0.000 0.513 214 L N 2.340 123.562 121.223 -0.000 0.000 2.385 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.273 214 L C -0.591 176.285 176.870 0.010 0.000 0.990 214 L CA -0.412 54.431 54.840 0.004 0.000 0.821 214 L CB 1.840 43.903 42.059 0.006 0.000 1.279 214 L HN 0.471 nan 8.230 nan 0.000 0.412 215 T N 1.239 115.799 114.554 0.010 0.000 2.916 215 T HA 0.784 5.134 4.350 -0.000 0.000 0.292 215 T C -0.935 173.772 174.700 0.011 0.000 1.064 215 T CA -0.751 61.355 62.100 0.010 0.000 1.011 215 T CB 1.972 70.844 68.868 0.007 0.000 1.152 215 T HN 0.321 nan 8.240 nan 0.000 0.510 216 V N 1.370 121.290 119.914 0.010 0.000 2.577 216 V HA 0.579 4.699 4.120 -0.000 0.000 0.303 216 V C -0.342 175.756 176.094 0.006 0.000 1.042 216 V CA -0.773 61.533 62.300 0.009 0.000 0.872 216 V CB 1.491 33.319 31.823 0.010 0.000 0.998 216 V HN 1.069 nan 8.190 nan 0.000 0.423 217 E N 2.648 122.851 120.200 0.005 0.000 2.183 217 E HA 0.662 5.012 4.350 -0.000 0.000 0.271 217 E C -1.188 175.412 176.600 0.001 0.000 0.919 217 E CA -0.408 55.993 56.400 0.002 0.000 0.781 217 E CB 1.928 31.629 29.700 0.002 0.000 1.140 217 E HN 0.689 nan 8.360 nan 0.000 0.402 218 T N 3.846 118.399 114.554 -0.000 0.000 2.848 218 T HA 0.240 4.590 4.350 -0.000 0.000 0.285 218 T C -0.791 173.907 174.700 -0.003 0.000 0.995 218 T CA -0.978 61.120 62.100 -0.002 0.000 0.970 218 T CB 1.186 70.053 68.868 -0.002 0.000 0.976 218 T HN 0.571 nan 8.240 nan 0.000 0.441 219 D N 1.700 122.097 120.400 -0.004 0.000 2.478 219 D HA 0.525 5.165 4.640 -0.000 0.000 0.263 219 D C 1.560 177.857 176.300 -0.005 0.000 1.153 219 D CA -0.766 53.231 54.000 -0.005 0.000 1.038 219 D CB 0.343 41.139 40.800 -0.006 0.000 1.120 219 D HN 0.421 nan 8.370 nan 0.000 0.564 220 A N -0.044 122.774 122.820 -0.005 0.000 1.958 220 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 220 A C 1.365 178.946 177.584 -0.005 0.000 1.178 220 A CA 1.863 53.898 52.037 -0.004 0.000 0.642 220 A CB -0.722 18.275 19.000 -0.004 0.000 0.816 220 A HN 0.594 nan 8.150 nan 0.000 0.453 221 D N -1.502 118.894 120.400 -0.006 0.000 2.328 221 D HA 0.281 4.921 4.640 -0.000 0.000 0.226 221 D C 1.409 177.705 176.300 -0.007 0.000 1.066 221 D CA 1.012 55.007 54.000 -0.007 0.000 0.861 221 D CB -0.076 40.718 40.800 -0.009 0.000 0.912 221 D HN 0.636 nan 8.370 nan 0.000 0.521 222 G N 0.390 109.187 108.800 -0.006 0.000 2.179 222 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.260 222 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.260 222 G C 0.539 175.435 174.900 -0.008 0.000 0.977 222 G CA 0.235 45.331 45.100 -0.006 0.000 0.641 222 G HN 0.321 nan 8.290 nan 0.000 0.533 223 V N 1.290 121.198 119.914 -0.010 0.000 2.599 223 V HA 0.290 4.410 4.120 -0.000 0.000 0.300 223 V C 1.167 177.256 176.094 -0.009 0.000 1.034 223 V CA 0.458 62.750 62.300 -0.012 0.000 1.115 223 V CB 0.854 32.668 31.823 -0.015 0.000 0.934 223 V HN 0.423 nan 8.190 nan 0.000 0.485 224 R N 2.768 123.263 120.500 -0.009 0.000 2.346 224 R HA 0.535 4.875 4.340 -0.000 0.000 0.311 224 R C -0.439 175.860 176.300 -0.002 0.000 0.983 224 R CA -0.375 55.723 56.100 -0.004 0.000 0.880 224 R CB 1.502 31.800 30.300 -0.003 0.000 1.100 224 R HN 0.705 nan 8.270 nan 0.000 0.453 225 T N 4.536 119.091 114.554 0.001 0.000 2.842 225 T HA 0.383 4.733 4.350 -0.000 0.000 0.308 225 T C -0.231 174.475 174.700 0.010 0.000 1.041 225 T CA -0.510 61.593 62.100 0.005 0.000 0.964 225 T CB 0.372 69.241 68.868 0.003 0.000 0.972 225 T HN 0.282 nan 8.240 nan 0.000 0.460 226 I N 3.770 124.350 120.570 0.016 0.000 2.315 226 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 226 I C 0.617 176.746 176.117 0.020 0.000 1.006 226 I CA -0.350 60.962 61.300 0.019 0.000 1.265 226 I CB 0.775 38.791 38.000 0.026 0.000 1.387 226 I HN 0.270 nan 8.210 nan 0.000 0.475 227 R N 5.830 126.340 120.500 0.015 0.000 2.445 227 R HA 0.713 5.053 4.340 -0.000 0.000 0.308 227 R C -1.339 174.966 176.300 0.009 0.000 0.961 227 R CA -1.071 55.036 56.100 0.012 0.000 0.862 227 R CB 2.137 32.442 30.300 0.008 0.000 1.144 227 R HN 0.381 nan 8.270 nan 0.000 0.447 228 L N 1.772 122.998 121.223 0.006 0.000 2.376 228 L HA 0.317 4.657 4.340 -0.000 0.000 0.275 228 L C -0.504 176.362 176.870 -0.007 0.000 0.987 228 L CA -0.376 54.463 54.840 -0.001 0.000 0.828 228 L CB 1.881 43.939 42.059 -0.001 0.000 1.249 228 L HN 0.601 nan 8.230 nan 0.000 0.409 229 E N 3.473 123.667 120.200 -0.011 0.000 2.217 229 E HA 0.457 4.807 4.350 -0.000 0.000 0.279 229 E C 0.092 176.680 176.600 -0.020 0.000 1.068 229 E CA -0.221 56.171 56.400 -0.014 0.000 0.882 229 E CB 0.657 30.350 29.700 -0.012 0.000 1.039 229 E HN 0.904 nan 8.360 nan 0.000 0.418 230 G N 3.391 112.177 108.800 -0.024 0.000 2.572 230 G HA2 0.079 4.039 3.960 -0.000 0.000 0.261 230 G HA3 0.079 4.039 3.960 -0.000 0.000 0.261 230 G C -0.137 174.742 174.900 -0.035 0.000 1.197 230 G CA -0.511 44.569 45.100 -0.033 0.000 0.870 230 G HN 0.902 nan 8.290 nan 0.000 0.548 231 R N -1.301 119.174 120.500 -0.041 0.000 3.741 231 R HA -0.177 4.163 4.340 -0.000 0.000 0.292 231 R C 1.003 177.290 176.300 -0.021 0.000 1.176 231 R CA 0.436 56.514 56.100 -0.037 0.000 0.794 231 R CB -1.702 28.569 30.300 -0.048 0.000 1.213 231 R HN 0.825 nan 8.270 nan 0.000 0.494 232 G N 0.703 109.492 108.800 -0.019 0.000 2.535 232 G HA2 0.433 4.393 3.960 -0.000 0.000 0.303 232 G HA3 0.433 4.393 3.960 -0.000 0.000 0.303 232 G C -0.223 174.674 174.900 -0.005 0.000 1.237 232 G CA -0.707 44.386 45.100 -0.012 0.000 0.986 232 G HN 0.144 nan 8.290 nan 0.000 0.494 233 K N -1.271 119.130 120.400 0.001 0.000 2.126 233 K HA 0.653 4.973 4.320 -0.000 0.000 0.257 233 K C -0.705 175.903 176.600 0.013 0.000 1.007 233 K CA -0.332 55.962 56.287 0.012 0.000 0.928 233 K CB 1.255 33.765 32.500 0.016 0.000 1.013 233 K HN 0.245 nan 8.250 nan 0.000 0.473 234 L N 1.456 122.700 121.223 0.035 0.000 2.464 234 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 234 L C -1.004 175.938 176.870 0.120 0.000 0.965 234 L CA -0.667 54.216 54.840 0.072 0.000 0.833 234 L CB 2.661 44.729 42.059 0.016 0.000 1.296 234 L HN 1.083 nan 8.230 nan 0.000 0.405 235 T N -1.077 113.570 114.554 0.155 0.000 2.907 235 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 235 T C 0.257 175.023 174.700 0.109 0.000 1.043 235 T CA -0.681 61.483 62.100 0.106 0.000 1.003 235 T CB 1.911 70.797 68.868 0.030 0.000 1.084 235 T HN 0.638 nan 8.240 nan 0.000 0.483 236 G N 1.735 110.584 108.800 0.082 0.000 2.391 236 G HA2 0.446 4.406 3.960 -0.000 0.000 0.234 236 G HA3 0.446 4.406 3.960 -0.000 0.000 0.234 236 G C -0.544 174.264 174.900 -0.154 0.000 1.284 236 G CA -0.205 44.919 45.100 0.040 0.000 0.873 236 G HN 0.690 nan 8.290 nan 0.000 0.549 237 Q N -0.203 119.441 119.800 -0.260 0.000 2.495 237 Q HA 0.452 4.792 4.340 -0.000 0.000 0.287 237 Q C -0.883 175.026 176.000 -0.152 0.000 1.078 237 Q CA -0.892 54.704 55.803 -0.344 0.000 0.793 237 Q CB 2.298 30.570 28.738 -0.777 0.000 1.459 237 Q HN 0.312 nan 8.270 nan 0.000 0.422 238 V N 2.449 122.296 119.914 -0.111 0.000 2.333 238 V HA 0.453 4.573 4.120 -0.000 0.000 0.274 238 V C -0.139 175.941 176.094 -0.024 0.000 1.028 238 V CA -0.278 62.000 62.300 -0.037 0.000 0.851 238 V CB 0.645 32.453 31.823 -0.025 0.000 1.000 238 V HN 0.517 nan 8.190 nan 0.000 0.456 239 I N 3.949 124.535 120.570 0.026 0.000 2.418 239 I HA 0.397 4.567 4.170 -0.000 0.000 0.287 239 I C -0.843 175.321 176.117 0.078 0.000 1.008 239 I CA -0.463 60.871 61.300 0.056 0.000 1.104 239 I CB 2.113 40.180 38.000 0.111 0.000 1.264 239 I HN 0.475 nan 8.210 nan 0.000 0.438 240 D N 6.347 126.785 120.400 0.063 0.000 2.454 240 D HA 0.258 4.898 4.640 -0.000 0.000 0.225 240 D C -0.456 175.885 176.300 0.068 0.000 1.081 240 D CA -0.294 53.747 54.000 0.068 0.000 0.864 240 D CB 1.345 42.175 40.800 0.050 0.000 1.040 240 D HN 0.089 nan 8.370 nan 0.000 0.517 241 V N 6.102 126.064 119.914 0.081 0.000 2.493 241 V HA 0.133 4.253 4.120 -0.000 0.000 0.292 241 V C -1.717 174.403 176.094 0.043 0.000 1.016 241 V CA -0.925 61.413 62.300 0.064 0.000 1.097 241 V CB 0.395 32.261 31.823 0.071 0.000 0.947 241 V HN 0.573 nan 8.190 nan 0.000 0.479 242 P HA 0.152 nan 4.420 nan 0.000 0.269 242 P C 0.417 177.719 177.300 0.003 0.000 1.215 242 P CA 0.269 63.378 63.100 0.016 0.000 0.780 242 P CB 0.493 32.199 31.700 0.010 0.000 0.898 243 G N 0.684 109.486 108.800 0.002 0.000 2.572 243 G HA2 0.170 4.130 3.960 -0.000 0.000 0.261 243 G HA3 0.170 4.130 3.960 -0.000 0.000 0.261 243 G C -0.519 174.358 174.900 -0.038 0.000 1.197 243 G CA -0.204 44.889 45.100 -0.013 0.000 0.870 243 G HN 0.451 nan 8.290 nan 0.000 0.548 244 D N 1.121 121.482 120.400 -0.065 0.000 2.434 244 D HA 0.122 4.762 4.640 -0.000 0.000 0.252 244 D C -1.231 175.019 176.300 -0.084 0.000 1.185 244 D CA -1.638 52.314 54.000 -0.080 0.000 0.886 244 D CB 1.403 42.134 40.800 -0.115 0.000 1.148 244 D HN -0.049 nan 8.370 nan 0.000 0.483 245 P HA -0.104 nan 4.420 nan 0.000 0.215 245 P C 1.185 178.432 177.300 -0.089 0.000 1.153 245 P CA 0.962 64.029 63.100 -0.055 0.000 0.853 245 P CB 0.231 31.917 31.700 -0.023 0.000 0.788 246 S N -0.938 114.720 115.700 -0.070 0.000 2.402 246 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 246 S C 2.016 176.577 174.600 -0.066 0.000 1.021 246 S CA 1.406 59.565 58.200 -0.068 0.000 0.974 246 S CB -0.861 62.358 63.200 0.033 0.000 0.800 246 S HN 0.164 nan 8.310 nan 0.000 0.484 247 S N 1.102 116.729 115.700 -0.123 0.000 2.414 247 S HA -0.036 4.434 4.470 -0.000 0.000 0.227 247 S C 2.058 176.590 174.600 -0.113 0.000 1.022 247 S CA 0.979 58.996 58.200 -0.304 0.000 0.958 247 S CB -0.446 62.127 63.200 -1.044 0.000 0.797 247 S HN 0.552 nan 8.310 nan 0.000 0.493 248 T N 2.714 117.196 114.554 -0.119 0.000 2.759 248 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 248 T C 2.167 176.844 174.700 -0.039 0.000 1.042 248 T CA 1.184 63.263 62.100 -0.035 0.000 1.140 248 T CB -0.558 68.279 68.868 -0.052 0.000 0.864 248 T HN 0.460 nan 8.240 nan 0.000 0.455 249 A N 1.171 123.874 122.820 -0.194 0.000 1.940 249 A HA -0.153 4.167 4.320 -0.000 0.000 0.221 249 A C 1.953 179.333 177.584 -0.341 0.000 1.190 249 A CA 1.823 53.646 52.037 -0.358 0.000 0.647 249 A CB -1.137 17.490 19.000 -0.622 0.000 0.821 249 A HN 0.537 nan 8.150 nan 0.000 0.457 250 F N 0.449 120.499 119.950 0.166 0.000 2.060 250 F HA -0.067 4.460 4.527 -0.000 0.000 0.295 250 F C 0.156 176.063 175.800 0.178 0.000 1.120 250 F CA 1.728 59.876 58.000 0.247 0.000 1.205 250 F CB -1.525 37.797 39.000 0.537 0.000 0.986 250 F HN 0.208 nan 8.300 nan 0.000 0.470 251 P HA -0.149 nan 4.420 nan 0.000 0.218 251 P C 1.953 179.303 177.300 0.083 0.000 1.149 251 P CA 1.169 64.368 63.100 0.165 0.000 0.817 251 P CB -0.096 31.697 31.700 0.155 0.000 0.785 252 L N 0.508 121.766 121.223 0.058 0.000 1.989 252 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 252 L C 2.397 179.261 176.870 -0.009 0.000 1.071 252 L CA 1.976 56.819 54.840 0.006 0.000 0.749 252 L CB -1.450 40.592 42.059 -0.028 0.000 0.890 252 L HN -0.222 nan 8.230 nan 0.000 0.431 253 V N 0.192 120.094 119.914 -0.019 0.000 2.358 253 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 253 V C 2.837 178.921 176.094 -0.018 0.000 1.047 253 V CA 1.459 63.743 62.300 -0.028 0.000 1.035 253 V CB -1.321 30.475 31.823 -0.045 0.000 0.658 253 V HN 0.638 nan 8.190 nan 0.000 0.452 254 A N 0.178 123.011 122.820 0.022 0.000 1.908 254 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 254 A C 2.413 179.976 177.584 -0.035 0.000 1.181 254 A CA 2.202 54.237 52.037 -0.004 0.000 0.627 254 A CB -0.762 18.261 19.000 0.038 0.000 0.818 254 A HN 0.574 nan 8.150 nan 0.000 0.445 255 A N -0.577 122.233 122.820 -0.016 0.000 1.930 255 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 255 A C 2.153 179.718 177.584 -0.032 0.000 1.175 255 A CA 1.371 53.395 52.037 -0.022 0.000 0.627 255 A CB -0.499 18.496 19.000 -0.009 0.000 0.815 255 A HN 0.470 nan 8.150 nan 0.000 0.443 256 L N -0.761 120.442 121.223 -0.033 0.000 2.056 256 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 256 L C 2.490 179.329 176.870 -0.052 0.000 1.078 256 L CA 0.909 55.729 54.840 -0.033 0.000 0.749 256 L CB -0.373 41.670 42.059 -0.027 0.000 0.901 256 L HN 0.375 nan 8.230 nan 0.000 0.433 257 L N -1.069 120.100 121.223 -0.090 0.000 2.102 257 L HA -0.001 4.339 4.340 -0.000 0.000 0.202 257 L C 0.875 177.637 176.870 -0.180 0.000 1.076 257 L CA 0.097 54.836 54.840 -0.168 0.000 0.761 257 L CB -0.183 41.689 42.059 -0.311 0.000 0.921 257 L HN -0.069 nan 8.230 nan 0.000 0.444 258 V N 2.913 122.738 119.914 -0.149 0.000 2.450 258 V HA 0.069 4.189 4.120 -0.000 0.000 0.281 258 V C -1.852 174.199 176.094 -0.071 0.000 1.019 258 V CA -1.152 61.078 62.300 -0.115 0.000 1.062 258 V CB 0.108 31.879 31.823 -0.086 0.000 0.979 258 V HN 0.066 nan 8.190 nan 0.000 0.477 259 P HA 0.180 nan 4.420 nan 0.000 0.272 259 P C 0.839 178.124 177.300 -0.025 0.000 1.223 259 P CA 0.797 63.878 63.100 -0.032 0.000 0.784 259 P CB 0.825 32.514 31.700 -0.019 0.000 0.923 260 G N 0.726 109.515 108.800 -0.018 0.000 2.143 260 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 260 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 260 G C 0.084 174.974 174.900 -0.017 0.000 0.991 260 G CA 0.022 45.113 45.100 -0.014 0.000 0.689 260 G HN 0.593 nan 8.290 nan 0.000 0.522 261 S N 0.151 115.839 115.700 -0.021 0.000 2.541 261 S HA 0.607 5.077 4.470 -0.000 0.000 0.283 261 S C -0.551 174.040 174.600 -0.015 0.000 1.196 261 S CA -0.407 57.781 58.200 -0.021 0.000 1.062 261 S CB 2.045 65.228 63.200 -0.028 0.000 1.009 261 S HN 0.365 nan 8.310 nan 0.000 0.502 262 D N 2.088 122.481 120.400 -0.012 0.000 2.375 262 D HA 0.380 5.020 4.640 -0.000 0.000 0.241 262 D C -1.536 174.761 176.300 -0.006 0.000 1.361 262 D CA -0.187 53.808 54.000 -0.008 0.000 0.995 262 D CB 1.262 42.059 40.800 -0.006 0.000 1.312 262 D HN 0.253 nan 8.370 nan 0.000 0.576 263 V N 2.439 122.350 119.914 -0.004 0.000 2.735 263 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 263 V C 0.213 176.311 176.094 0.005 0.000 1.061 263 V CA -0.546 61.755 62.300 0.001 0.000 0.913 263 V CB 2.254 34.079 31.823 0.003 0.000 1.005 263 V HN 0.508 nan 8.190 nan 0.000 0.428 264 T N 5.669 120.228 114.554 0.008 0.000 2.770 264 T HA 0.630 4.980 4.350 -0.000 0.000 0.283 264 T C -0.338 174.373 174.700 0.018 0.000 0.988 264 T CA -0.091 62.016 62.100 0.011 0.000 0.957 264 T CB 0.640 69.513 68.868 0.009 0.000 0.930 264 T HN 0.383 nan 8.240 nan 0.000 0.443 265 I N 4.357 124.939 120.570 0.020 0.000 2.339 265 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 265 I C -0.067 176.065 176.117 0.024 0.000 0.994 265 I CA -0.776 60.541 61.300 0.028 0.000 1.191 265 I CB 1.180 39.198 38.000 0.030 0.000 1.343 265 I HN 0.345 nan 8.210 nan 0.000 0.458 266 L N 5.753 126.993 121.223 0.029 0.000 2.399 266 L HA 0.281 4.621 4.340 -0.000 0.000 0.266 266 L C 1.005 177.892 176.870 0.027 0.000 1.114 266 L CA -0.380 54.476 54.840 0.027 0.000 0.804 266 L CB 0.475 42.551 42.059 0.029 0.000 1.146 266 L HN 0.762 nan 8.230 nan 0.000 0.451 267 N N 0.882 119.596 118.700 0.024 0.000 2.696 267 N HA -0.158 4.582 4.740 -0.000 0.000 0.256 267 N C -1.010 174.512 175.510 0.020 0.000 1.031 267 N CA -0.370 52.695 53.050 0.025 0.000 0.730 267 N CB -0.152 38.353 38.487 0.031 0.000 0.894 267 N HN 0.258 nan 8.380 nan 0.000 0.544 268 V N 2.440 122.364 119.914 0.016 0.000 2.432 268 V HA 0.260 4.380 4.120 -0.000 0.000 0.275 268 V C 0.702 176.805 176.094 0.015 0.000 1.043 268 V CA -0.667 61.639 62.300 0.010 0.000 0.925 268 V CB 1.444 33.271 31.823 0.006 0.000 0.985 268 V HN 0.284 nan 8.190 nan 0.000 0.466 269 L N 6.523 127.754 121.223 0.014 0.000 2.455 269 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 269 L C 0.672 177.561 176.870 0.033 0.000 1.174 269 L CA 0.860 55.718 54.840 0.030 0.000 0.869 269 L CB 0.646 42.724 42.059 0.032 0.000 1.130 269 L HN 0.578 nan 8.230 nan 0.000 0.474 270 M N 3.617 123.241 119.600 0.041 0.000 2.484 270 M HA 0.192 4.672 4.480 -0.000 0.000 0.307 270 M C 0.215 176.539 176.300 0.041 0.000 1.149 270 M CA -0.013 55.306 55.300 0.032 0.000 0.972 270 M CB -1.159 31.455 32.600 0.024 0.000 1.400 270 M HN 0.738 nan 8.290 nan 0.000 0.508 271 N N 3.547 122.288 118.700 0.069 0.000 2.438 271 N HA 0.048 4.788 4.740 -0.000 0.000 0.267 271 N C -1.405 174.127 175.510 0.038 0.000 1.222 271 N CA -0.930 52.163 53.050 0.071 0.000 0.930 271 N CB 1.355 39.930 38.487 0.147 0.000 1.083 271 N HN -0.016 nan 8.380 nan 0.000 0.476 272 P HA -0.193 nan 4.420 nan 0.000 0.220 272 P C 0.850 178.145 177.300 -0.008 0.000 1.144 272 P CA 1.309 64.409 63.100 0.001 0.000 0.800 272 P CB -0.129 31.570 31.700 -0.002 0.000 0.772 273 T N -4.054 110.486 114.554 -0.023 0.000 3.160 273 T HA 0.075 4.425 4.350 -0.000 0.000 0.257 273 T C 1.567 176.261 174.700 -0.012 0.000 1.147 273 T CA 0.378 62.454 62.100 -0.039 0.000 1.064 273 T CB -0.301 68.506 68.868 -0.102 0.000 0.949 273 T HN 0.003 nan 8.240 nan 0.000 0.526 274 R N 0.684 121.196 120.500 0.020 0.000 2.469 274 R HA 0.176 4.516 4.340 -0.000 0.000 0.250 274 R C 1.450 177.756 176.300 0.010 0.000 0.909 274 R CA 0.863 56.991 56.100 0.046 0.000 1.050 274 R CB 0.020 30.393 30.300 0.122 0.000 1.256 274 R HN 0.624 nan 8.270 nan 0.000 0.550 275 T N -2.674 111.878 114.554 -0.002 0.000 3.258 275 T HA 0.194 4.544 4.350 -0.000 0.000 0.263 275 T C 1.534 176.208 174.700 -0.044 0.000 0.983 275 T CA 0.217 62.303 62.100 -0.024 0.000 0.907 275 T CB 0.735 69.596 68.868 -0.012 0.000 1.096 275 T HN 0.117 nan 8.240 nan 0.000 0.556 276 G N 2.002 110.770 108.800 -0.053 0.000 2.469 276 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 276 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 276 G C 1.240 176.075 174.900 -0.108 0.000 1.136 276 G CA 1.080 46.138 45.100 -0.071 0.000 0.759 276 G HN 0.520 nan 8.290 nan 0.000 0.562 277 L N 0.734 121.874 121.223 -0.138 0.000 1.994 277 L HA 0.066 4.405 4.340 -0.000 0.000 0.208 277 L C 2.703 179.507 176.870 -0.109 0.000 1.071 277 L CA 1.421 56.165 54.840 -0.160 0.000 0.745 277 L CB -0.541 41.406 42.059 -0.185 0.000 0.892 277 L HN 0.272 nan 8.230 nan 0.000 0.431 278 I N -0.896 119.624 120.570 -0.084 0.000 2.163 278 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 278 I C 2.411 178.500 176.117 -0.047 0.000 1.085 278 I CA 1.365 62.630 61.300 -0.059 0.000 1.347 278 I CB -0.444 37.530 38.000 -0.043 0.000 1.044 278 I HN 0.379 nan 8.210 nan 0.000 0.408 279 L N 0.478 121.675 121.223 -0.044 0.000 2.012 279 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 279 L C 2.459 179.308 176.870 -0.035 0.000 1.073 279 L CA 2.204 57.024 54.840 -0.032 0.000 0.748 279 L CB -1.090 40.952 42.059 -0.028 0.000 0.891 279 L HN 0.168 nan 8.230 nan 0.000 0.431 280 T N 0.096 114.619 114.554 -0.051 0.000 2.708 280 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 280 T C 1.997 176.673 174.700 -0.040 0.000 1.037 280 T CA 1.926 63.997 62.100 -0.049 0.000 1.146 280 T CB -0.434 68.387 68.868 -0.078 0.000 0.865 280 T HN 0.331 nan 8.240 nan 0.000 0.435 281 L N 0.747 121.941 121.223 -0.048 0.000 2.079 281 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 281 L C 2.931 179.788 176.870 -0.023 0.000 1.081 281 L CA 1.414 56.232 54.840 -0.036 0.000 0.752 281 L CB -0.643 41.389 42.059 -0.044 0.000 0.896 281 L HN 0.331 nan 8.230 nan 0.000 0.433 282 Q N -0.092 119.694 119.800 -0.023 0.000 2.050 282 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 282 Q C 2.112 178.106 176.000 -0.010 0.000 0.980 282 Q CA 1.675 57.469 55.803 -0.015 0.000 0.840 282 Q CB -0.149 28.581 28.738 -0.014 0.000 0.898 282 Q HN 0.554 nan 8.270 nan 0.000 0.424 283 E N 0.362 120.555 120.200 -0.011 0.000 2.153 283 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 283 E C 1.578 178.176 176.600 -0.003 0.000 0.988 283 E CA 0.866 57.262 56.400 -0.006 0.000 0.811 283 E CB -0.073 29.623 29.700 -0.006 0.000 0.746 283 E HN 0.402 nan 8.360 nan 0.000 0.466 284 M N -0.395 119.202 119.600 -0.005 0.000 2.682 284 M HA 0.081 4.561 4.480 -0.000 0.000 0.235 284 M C 0.932 177.234 176.300 0.003 0.000 1.114 284 M CA 0.609 55.910 55.300 0.001 0.000 1.053 284 M CB 0.470 33.070 32.600 0.001 0.000 1.599 284 M HN 0.252 nan 8.290 nan 0.000 0.520 285 G N 0.907 109.708 108.800 0.000 0.000 2.137 285 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.237 285 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.237 285 G C 0.123 175.023 174.900 0.000 0.000 1.002 285 G CA -0.009 45.092 45.100 0.002 0.000 0.702 285 G HN 0.715 nan 8.290 nan 0.000 0.515 286 A N 0.107 122.925 122.820 -0.004 0.000 2.520 286 A HA 0.456 4.776 4.320 -0.000 0.000 0.245 286 A C 0.660 178.240 177.584 -0.006 0.000 1.072 286 A CA 0.592 52.625 52.037 -0.007 0.000 0.761 286 A CB 0.373 19.365 19.000 -0.013 0.000 1.004 286 A HN 0.422 nan 8.150 nan 0.000 0.499 287 D N 2.806 123.203 120.400 -0.006 0.000 2.508 287 D HA 0.261 4.901 4.640 -0.000 0.000 0.224 287 D C -0.589 175.707 176.300 -0.006 0.000 1.171 287 D CA 0.259 54.256 54.000 -0.005 0.000 1.006 287 D CB -0.464 40.333 40.800 -0.004 0.000 1.073 287 D HN 0.389 nan 8.370 nan 0.000 0.513 288 I N 2.523 123.089 120.570 -0.006 0.000 2.354 288 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 288 I C 0.395 176.510 176.117 -0.004 0.000 1.007 288 I CA -0.755 60.541 61.300 -0.007 0.000 1.167 288 I CB 1.593 39.587 38.000 -0.010 0.000 1.320 288 I HN 0.125 nan 8.210 nan 0.000 0.458 289 E N 6.349 126.548 120.200 -0.002 0.000 2.146 289 E HA 0.360 4.710 4.350 -0.000 0.000 0.282 289 E C -1.178 175.423 176.600 0.001 0.000 0.989 289 E CA -0.663 55.737 56.400 -0.001 0.000 0.799 289 E CB 1.435 31.135 29.700 0.000 0.000 1.088 289 E HN 0.338 nan 8.360 nan 0.000 0.397 290 V N 7.381 127.296 119.914 0.001 0.000 2.408 290 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 290 V C 0.452 176.549 176.094 0.004 0.000 1.047 290 V CA -0.119 62.182 62.300 0.003 0.000 0.937 290 V CB -0.132 31.693 31.823 0.003 0.000 0.999 290 V HN 0.550 nan 8.190 nan 0.000 0.472 291 I N 1.515 122.089 120.570 0.006 0.000 3.108 291 I HA 0.662 4.832 4.170 -0.000 0.000 0.312 291 I C 0.189 176.310 176.117 0.008 0.000 1.095 291 I CA -1.134 60.170 61.300 0.006 0.000 1.000 291 I CB 1.975 39.978 38.000 0.006 0.000 1.229 291 I HN 0.475 nan 8.210 nan 0.000 0.454 292 N N 0.877 119.582 118.700 0.007 0.000 2.707 292 N HA -0.123 4.617 4.740 -0.000 0.000 0.253 292 N C -2.346 173.170 175.510 0.010 0.000 0.998 292 N CA 0.523 53.578 53.050 0.008 0.000 0.751 292 N CB -1.622 36.871 38.487 0.009 0.000 0.920 292 N HN 0.629 nan 8.380 nan 0.000 0.539 293 P HA 0.119 nan 4.420 nan 0.000 0.268 293 P C 0.396 177.703 177.300 0.012 0.000 1.205 293 P CA 0.451 63.558 63.100 0.011 0.000 0.771 293 P CB 1.013 32.719 31.700 0.010 0.000 0.858 294 R N 1.919 122.428 120.500 0.015 0.000 2.764 294 R HA 0.500 4.840 4.340 -0.000 0.000 0.276 294 R C -1.720 174.591 176.300 0.019 0.000 1.021 294 R CA -0.928 55.181 56.100 0.014 0.000 0.870 294 R CB 0.301 30.609 30.300 0.012 0.000 1.293 294 R HN 0.334 nan 8.270 nan 0.000 0.469 295 L N 0.400 121.633 121.223 0.017 0.000 2.331 295 L HA 0.826 5.166 4.340 -0.000 0.000 0.275 295 L C -0.380 176.503 176.870 0.022 0.000 1.022 295 L CA -1.039 53.815 54.840 0.023 0.000 0.812 295 L CB 1.988 44.058 42.059 0.018 0.000 1.257 295 L HN 0.913 nan 8.230 nan 0.000 0.435 296 A N 1.139 123.981 122.820 0.036 0.000 2.446 296 A HA 0.577 4.897 4.320 -0.000 0.000 0.282 296 A C 0.432 178.054 177.584 0.064 0.000 1.102 296 A CA 0.071 52.131 52.037 0.040 0.000 0.737 296 A CB 1.128 20.156 19.000 0.047 0.000 1.212 296 A HN 0.986 nan 8.150 nan 0.000 0.434 297 G N 1.220 110.043 108.800 0.039 0.000 2.341 297 G HA2 0.124 4.084 3.960 -0.000 0.000 0.292 297 G HA3 0.124 4.084 3.960 -0.000 0.000 0.292 297 G C 1.643 176.629 174.900 0.143 0.000 1.021 297 G CA 1.523 46.677 45.100 0.090 0.000 0.905 297 G HN 2.834 nan 8.290 nan 0.000 0.508 298 G N -1.955 106.894 108.800 0.082 0.000 2.176 298 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 298 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 298 G C 0.120 175.083 174.900 0.106 0.000 0.979 298 G CA 0.768 45.926 45.100 0.096 0.000 0.641 298 G HN 0.876 nan 8.290 nan 0.000 0.530 299 E N 1.335 121.601 120.200 0.110 0.000 2.231 299 E HA 0.368 4.718 4.350 -0.000 0.000 0.277 299 E C -0.639 176.006 176.600 0.075 0.000 0.999 299 E CA -0.640 55.827 56.400 0.112 0.000 0.827 299 E CB 1.004 30.781 29.700 0.130 0.000 1.101 299 E HN 0.287 nan 8.360 nan 0.000 0.393 300 D N 1.530 121.972 120.400 0.069 0.000 2.351 300 D HA 0.213 4.853 4.640 -0.000 0.000 0.251 300 D C -0.258 176.069 176.300 0.045 0.000 1.137 300 D CA 0.048 54.077 54.000 0.048 0.000 0.879 300 D CB 1.263 42.087 40.800 0.041 0.000 1.181 300 D HN -0.018 nan 8.370 nan 0.000 0.448 301 V N 0.665 120.600 119.914 0.035 0.000 3.007 301 V HA 0.869 4.989 4.120 -0.000 0.000 0.311 301 V C -0.192 175.916 176.094 0.022 0.000 1.120 301 V CA -0.692 61.626 62.300 0.030 0.000 0.980 301 V CB 1.995 33.837 31.823 0.031 0.000 1.033 301 V HN 0.783 nan 8.190 nan 0.000 0.429 302 A N 2.014 124.846 122.820 0.019 0.000 2.599 302 A HA 0.799 5.119 4.320 -0.000 0.000 0.290 302 A C -1.972 175.621 177.584 0.014 0.000 1.101 302 A CA -0.694 51.352 52.037 0.015 0.000 0.674 302 A CB 1.658 20.665 19.000 0.012 0.000 1.277 302 A HN 0.687 nan 8.150 nan 0.000 0.419 303 D N 0.247 120.655 120.400 0.012 0.000 2.272 303 D HA 0.634 5.274 4.640 -0.000 0.000 0.247 303 D C -0.836 175.469 176.300 0.009 0.000 0.990 303 D CA -0.011 53.997 54.000 0.013 0.000 0.931 303 D CB 1.652 42.460 40.800 0.013 0.000 1.195 303 D HN 0.416 nan 8.370 nan 0.000 0.477 304 L N 0.979 122.207 121.223 0.009 0.000 2.356 304 L HA 0.450 4.790 4.340 -0.000 0.000 0.277 304 L C 0.158 177.032 176.870 0.005 0.000 0.996 304 L CA -0.795 54.048 54.840 0.005 0.000 0.822 304 L CB 2.156 44.216 42.059 0.002 0.000 1.256 304 L HN 0.079 nan 8.230 nan 0.000 0.413 305 R N 2.863 123.365 120.500 0.003 0.000 2.215 305 R HA 0.567 4.907 4.340 -0.000 0.000 0.336 305 R C -1.416 174.884 176.300 -0.000 0.000 0.996 305 R CA -0.449 55.653 56.100 0.002 0.000 0.847 305 R CB 1.180 31.481 30.300 0.002 0.000 1.127 305 R HN 0.443 nan 8.270 nan 0.000 0.465 306 V N 5.902 125.815 119.914 -0.001 0.000 2.370 306 V HA 0.469 4.589 4.120 -0.000 0.000 0.283 306 V C 0.120 176.210 176.094 -0.006 0.000 1.023 306 V CA -0.686 61.611 62.300 -0.004 0.000 0.857 306 V CB 1.353 33.174 31.823 -0.004 0.000 0.985 306 V HN 0.776 nan 8.190 nan 0.000 0.443 307 R N 2.309 122.805 120.500 -0.008 0.000 2.732 307 R HA 0.561 4.901 4.340 -0.000 0.000 0.278 307 R C -0.102 176.191 176.300 -0.012 0.000 0.976 307 R CA -0.709 55.386 56.100 -0.009 0.000 0.963 307 R CB 1.786 32.082 30.300 -0.006 0.000 1.150 307 R HN 0.666 nan 8.270 nan 0.000 0.478 308 S N 1.296 116.987 115.700 -0.015 0.000 2.563 308 S HA 0.047 4.517 4.470 -0.000 0.000 0.294 308 S C -0.226 174.367 174.600 -0.011 0.000 1.279 308 S CA 0.132 58.321 58.200 -0.019 0.000 1.069 308 S CB 0.296 63.484 63.200 -0.020 0.000 0.828 308 S HN 0.527 nan 8.310 nan 0.000 0.497 309 S N 1.647 117.341 115.700 -0.010 0.000 2.667 309 S HA 0.558 5.028 4.470 -0.000 0.000 0.292 309 S C -0.494 174.111 174.600 0.008 0.000 1.126 309 S CA -0.975 57.224 58.200 -0.001 0.000 0.881 309 S CB 1.779 64.978 63.200 -0.001 0.000 1.132 309 S HN 0.553 nan 8.310 nan 0.000 0.492 310 T N 2.385 116.948 114.554 0.014 0.000 2.753 310 T HA 0.443 4.793 4.350 -0.000 0.000 0.297 310 T C -0.208 174.508 174.700 0.027 0.000 0.981 310 T CA -0.341 61.775 62.100 0.026 0.000 0.956 310 T CB -0.247 68.635 68.868 0.024 0.000 0.936 310 T HN 0.303 nan 8.240 nan 0.000 0.463 311 L N 3.635 124.881 121.223 0.038 0.000 2.395 311 L HA 0.494 4.834 4.340 -0.000 0.000 0.269 311 L C 0.504 177.394 176.870 0.034 0.000 1.133 311 L CA -0.546 54.315 54.840 0.034 0.000 0.812 311 L CB 0.765 42.851 42.059 0.044 0.000 1.125 311 L HN 0.381 nan 8.230 nan 0.000 0.452 312 K N 0.862 121.276 120.400 0.023 0.000 2.270 312 K HA 0.437 4.757 4.320 -0.000 0.000 0.255 312 K C -0.014 176.596 176.600 0.017 0.000 0.936 312 K CA -0.611 55.688 56.287 0.020 0.000 0.809 312 K CB 1.957 34.466 32.500 0.015 0.000 1.131 312 K HN 0.718 nan 8.250 nan 0.000 0.427 313 G N 1.174 109.984 108.800 0.017 0.000 2.491 313 G HA2 0.345 4.305 3.960 -0.000 0.000 0.238 313 G HA3 0.345 4.305 3.960 -0.000 0.000 0.238 313 G C -0.132 174.776 174.900 0.013 0.000 1.277 313 G CA -0.236 44.873 45.100 0.015 0.000 0.851 313 G HN 0.405 nan 8.290 nan 0.000 0.573 314 V N -1.109 118.813 119.914 0.013 0.000 3.182 314 V HA 0.851 4.971 4.120 -0.000 0.000 0.308 314 V C -0.095 176.009 176.094 0.018 0.000 1.240 314 V CA -1.070 61.237 62.300 0.012 0.000 1.063 314 V CB 1.666 33.493 31.823 0.008 0.000 1.076 314 V HN 0.658 nan 8.190 nan 0.000 0.446 315 T N 1.505 116.070 114.554 0.018 0.000 2.767 315 T HA 0.622 4.972 4.350 -0.000 0.000 0.284 315 T C -0.412 174.306 174.700 0.031 0.000 0.973 315 T CA -0.228 61.887 62.100 0.025 0.000 0.996 315 T CB 1.241 70.120 68.868 0.020 0.000 0.927 315 T HN 0.725 nan 8.240 nan 0.000 0.456 316 V N 7.630 127.574 119.914 0.050 0.000 2.364 316 V HA 0.314 4.434 4.120 -0.000 0.000 0.272 316 V C -1.803 174.334 176.094 0.072 0.000 1.036 316 V CA -2.041 60.297 62.300 0.063 0.000 0.880 316 V CB 0.776 32.660 31.823 0.103 0.000 0.991 316 V HN 0.723 nan 8.190 nan 0.000 0.460 317 P HA 0.058 nan 4.420 nan 0.000 0.268 317 P C 0.652 177.989 177.300 0.062 0.000 1.205 317 P CA 0.041 63.168 63.100 0.044 0.000 0.771 317 P CB 1.333 33.050 31.700 0.029 0.000 0.858 318 E N 1.804 122.029 120.200 0.042 0.000 2.160 318 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 318 E C 0.906 177.532 176.600 0.045 0.000 0.991 318 E CA 1.589 58.011 56.400 0.037 0.000 0.810 318 E CB -0.129 29.576 29.700 0.007 0.000 0.742 318 E HN 0.520 nan 8.360 nan 0.000 0.466 319 D N -0.526 119.894 120.400 0.034 0.000 2.378 319 D HA -0.162 4.478 4.640 -0.000 0.000 0.227 319 D C 1.769 178.092 176.300 0.039 0.000 1.012 319 D CA 0.462 54.479 54.000 0.028 0.000 0.905 319 D CB -0.167 40.642 40.800 0.016 0.000 0.895 319 D HN 0.076 nan 8.370 nan 0.000 0.532 320 R N -0.152 120.383 120.500 0.059 0.000 2.254 320 R HA 0.338 4.678 4.340 -0.000 0.000 0.195 320 R C 2.044 178.399 176.300 0.092 0.000 0.957 320 R CA 0.729 56.862 56.100 0.055 0.000 1.024 320 R CB -0.098 30.227 30.300 0.041 0.000 0.952 320 R HN 0.116 nan 8.270 nan 0.000 0.484 321 A N 1.909 124.831 122.820 0.171 0.000 1.903 321 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 321 A C -0.544 177.157 177.584 0.194 0.000 1.191 321 A CA 1.486 53.703 52.037 0.298 0.000 0.638 321 A CB -1.449 17.668 19.000 0.195 0.000 0.823 321 A HN 0.306 nan 8.150 nan 0.000 0.451 322 P HA -0.143 nan 4.420 nan 0.000 0.215 322 P C 1.688 179.019 177.300 0.050 0.000 1.153 322 P CA 1.939 65.078 63.100 0.065 0.000 0.853 322 P CB -0.238 31.483 31.700 0.035 0.000 0.788 323 S N -1.081 114.639 115.700 0.034 0.000 2.603 323 S HA -0.022 4.448 4.470 -0.000 0.000 0.229 323 S C 1.152 175.746 174.600 -0.010 0.000 0.972 323 S CA 0.617 58.822 58.200 0.009 0.000 0.935 323 S CB -1.134 62.064 63.200 -0.004 0.000 0.769 323 S HN 0.283 nan 8.310 nan 0.000 0.536 324 M N -2.088 117.509 119.600 -0.005 0.000 4.510 324 M HA 0.458 4.938 4.480 -0.000 0.000 0.567 324 M C 0.563 176.847 176.300 -0.026 0.000 2.034 324 M CA -0.472 54.778 55.300 -0.083 0.000 0.564 324 M CB -0.258 32.208 32.600 -0.223 0.000 1.478 324 M HN 0.034 nan 8.290 nan 0.000 0.607 325 I N 2.640 123.281 120.570 0.117 0.000 2.145 325 I HA -0.267 3.903 4.170 -0.000 0.000 0.244 325 I C 1.497 177.742 176.117 0.214 0.000 1.075 325 I CA 2.245 63.685 61.300 0.233 0.000 1.332 325 I CB -0.071 38.012 38.000 0.138 0.000 1.033 325 I HN 0.445 nan 8.210 nan 0.000 0.410 326 D N -0.028 120.432 120.400 0.101 0.000 2.349 326 D HA -0.052 4.588 4.640 -0.000 0.000 0.224 326 D C 1.395 177.710 176.300 0.025 0.000 1.029 326 D CA 0.403 54.452 54.000 0.082 0.000 0.879 326 D CB 0.078 40.928 40.800 0.083 0.000 0.906 326 D HN 0.455 nan 8.370 nan 0.000 0.528 327 E N -0.910 119.253 120.200 -0.062 0.000 2.474 327 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 327 E C 1.013 177.488 176.600 -0.210 0.000 1.039 327 E CA -0.120 56.171 56.400 -0.181 0.000 0.881 327 E CB -0.076 29.468 29.700 -0.260 0.000 0.970 327 E HN 0.340 nan 8.360 nan 0.000 0.486 328 Y N 0.249 120.532 120.300 -0.028 0.000 2.242 328 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 328 Y C -0.763 175.130 175.900 -0.012 0.000 1.137 328 Y CA 1.169 59.259 58.100 -0.016 0.000 1.181 328 Y CB -1.141 37.318 38.460 -0.001 0.000 0.989 328 Y HN 0.202 nan 8.280 nan 0.000 0.527 329 P HA -0.194 nan 4.420 nan 0.000 0.214 329 P C 1.380 178.672 177.300 -0.012 0.000 1.163 329 P CA 1.901 65.054 63.100 0.087 0.000 0.883 329 P CB -0.182 31.589 31.700 0.118 0.000 0.788 330 I N -2.514 118.032 120.570 -0.041 0.000 2.394 330 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 330 I C 2.146 178.204 176.117 -0.099 0.000 1.136 330 I CA 1.263 62.508 61.300 -0.092 0.000 1.425 330 I CB -1.770 36.089 38.000 -0.234 0.000 1.079 330 I HN -0.166 nan 8.210 nan 0.000 0.425 331 L N 1.644 122.798 121.223 -0.114 0.000 2.046 331 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 331 L C 2.545 179.399 176.870 -0.027 0.000 1.077 331 L CA 1.969 56.752 54.840 -0.094 0.000 0.747 331 L CB -0.981 40.979 42.059 -0.166 0.000 0.896 331 L HN 0.245 nan 8.230 nan 0.000 0.432 332 A N -1.162 121.659 122.820 0.001 0.000 1.933 332 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 332 A C 2.279 179.855 177.584 -0.013 0.000 1.175 332 A CA 1.861 53.913 52.037 0.024 0.000 0.628 332 A CB -1.036 18.002 19.000 0.064 0.000 0.814 332 A HN 0.313 nan 8.150 nan 0.000 0.444 333 V N -0.324 119.549 119.914 -0.067 0.000 2.358 333 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 333 V C 3.041 179.224 176.094 0.148 0.000 1.047 333 V CA 1.811 64.082 62.300 -0.048 0.000 1.035 333 V CB -1.007 30.720 31.823 -0.160 0.000 0.658 333 V HN 0.612 nan 8.190 nan 0.000 0.452 334 A N -0.029 122.848 122.820 0.095 0.000 1.933 334 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 334 A C 2.403 180.077 177.584 0.150 0.000 1.175 334 A CA 1.984 54.103 52.037 0.137 0.000 0.628 334 A CB -0.733 18.287 19.000 0.034 0.000 0.814 334 A HN 0.575 nan 8.150 nan 0.000 0.444 335 A N -0.173 122.688 122.820 0.068 0.000 1.972 335 A HA 0.175 4.495 4.320 -0.000 0.000 0.219 335 A C 2.361 179.941 177.584 -0.005 0.000 1.169 335 A CA 1.804 53.862 52.037 0.035 0.000 0.635 335 A CB -0.842 18.171 19.000 0.021 0.000 0.810 335 A HN 1.106 nan 8.150 nan 0.000 0.446 336 A N -1.861 120.925 122.820 -0.058 0.000 2.172 336 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 336 A C 1.184 178.438 177.584 -0.550 0.000 1.154 336 A CA 0.964 52.822 52.037 -0.299 0.000 0.701 336 A CB -0.561 18.196 19.000 -0.405 0.000 0.789 336 A HN 0.502 nan 8.150 nan 0.000 0.465 337 F N -1.178 118.774 119.950 0.004 0.000 2.735 337 F HA 0.525 5.052 4.527 -0.000 0.000 0.308 337 F C 0.912 176.714 175.800 0.003 0.000 1.112 337 F CA -0.107 57.896 58.000 0.006 0.000 1.235 337 F CB 0.258 39.261 39.000 0.004 0.000 1.027 337 F HN 0.172 nan 8.300 nan 0.000 0.528 338 A N -0.094 122.789 122.820 0.105 0.000 2.306 338 A HA 0.576 4.896 4.320 -0.000 0.000 0.330 338 A C 0.163 177.770 177.584 0.038 0.000 1.146 338 A CA -0.607 51.473 52.037 0.071 0.000 0.827 338 A CB 0.644 19.675 19.000 0.052 0.000 1.178 338 A HN 0.039 nan 8.150 nan 0.000 0.490 339 E N 0.713 120.934 120.200 0.034 0.000 2.413 339 E HA 0.364 4.714 4.350 -0.000 0.000 0.263 339 E C 1.177 177.785 176.600 0.014 0.000 1.015 339 E CA 1.417 57.831 56.400 0.022 0.000 0.916 339 E CB 0.368 30.080 29.700 0.021 0.000 0.947 339 E HN 1.363 nan 8.360 nan 0.000 0.440 340 G N 2.190 110.995 108.800 0.008 0.000 2.564 340 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.273 340 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.273 340 G C -0.224 174.678 174.900 0.002 0.000 1.242 340 G CA 0.037 45.139 45.100 0.005 0.000 0.951 340 G HN 0.867 nan 8.290 nan 0.000 0.564 341 A N -1.330 121.493 122.820 0.005 0.000 2.337 341 A HA 0.852 5.172 4.320 -0.000 0.000 0.331 341 A C 0.110 177.700 177.584 0.011 0.000 1.137 341 A CA 0.724 52.764 52.037 0.005 0.000 0.807 341 A CB 1.663 20.666 19.000 0.005 0.000 1.250 341 A HN 1.408 nan 8.150 nan 0.000 0.468 342 T N 1.128 115.690 114.554 0.015 0.000 2.807 342 T HA 0.535 4.885 4.350 -0.000 0.000 0.279 342 T C -0.816 173.901 174.700 0.029 0.000 0.993 342 T CA -0.245 61.868 62.100 0.022 0.000 0.970 342 T CB 1.211 70.094 68.868 0.025 0.000 0.950 342 T HN 0.455 nan 8.240 nan 0.000 0.441 343 V N 4.946 124.879 119.914 0.033 0.000 2.378 343 V HA 0.471 4.591 4.120 -0.000 0.000 0.288 343 V C -0.311 175.816 176.094 0.056 0.000 1.016 343 V CA -0.678 61.643 62.300 0.035 0.000 0.840 343 V CB 1.295 33.133 31.823 0.024 0.000 0.994 343 V HN 0.870 nan 8.190 nan 0.000 0.431 344 M N 5.575 125.216 119.600 0.068 0.000 2.072 344 M HA 0.491 4.971 4.480 -0.000 0.000 0.331 344 M C -0.417 175.904 176.300 0.035 0.000 1.004 344 M CA -0.259 55.106 55.300 0.109 0.000 0.952 344 M CB 1.094 33.810 32.600 0.193 0.000 1.511 344 M HN 0.573 nan 8.290 nan 0.000 0.422 345 N N 1.702 120.419 118.700 0.029 0.000 2.477 345 N HA 0.752 5.492 4.740 -0.000 0.000 0.284 345 N C -0.008 175.470 175.510 -0.054 0.000 1.182 345 N CA -0.282 52.760 53.050 -0.013 0.000 0.949 345 N CB 1.880 40.369 38.487 0.003 0.000 1.204 345 N HN 0.877 nan 8.380 nan 0.000 0.526 346 G N 0.436 109.196 108.800 -0.068 0.000 2.768 346 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.666 346 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.666 346 G C 0.418 175.246 174.900 -0.121 0.000 1.162 346 G CA -0.282 44.764 45.100 -0.089 0.000 1.226 346 G HN 0.564 nan 8.290 nan 0.000 0.535 347 L N 0.248 121.422 121.223 -0.081 0.000 2.529 347 L HA 0.449 4.789 4.340 -0.000 0.000 0.223 347 L C 1.882 178.711 176.870 -0.068 0.000 1.113 347 L CA 0.939 55.733 54.840 -0.077 0.000 0.861 347 L CB -0.105 41.922 42.059 -0.053 0.000 1.012 347 L HN 0.634 nan 8.230 nan 0.000 0.461 348 E N 2.765 122.929 120.200 -0.059 0.000 2.194 348 E HA -0.304 4.046 4.350 -0.000 0.000 0.246 348 E C 0.219 176.793 176.600 -0.044 0.000 0.974 348 E CA 2.790 59.163 56.400 -0.045 0.000 0.949 348 E CB -0.142 29.535 29.700 -0.038 0.000 0.896 348 E HN 0.815 nan 8.360 nan 0.000 0.550 349 E N -0.024 120.148 120.200 -0.047 0.000 3.108 349 E HA 0.238 4.588 4.350 -0.000 0.000 0.228 349 E C -0.816 175.759 176.600 -0.043 0.000 1.176 349 E CA -0.251 56.127 56.400 -0.037 0.000 0.881 349 E CB 0.638 30.326 29.700 -0.020 0.000 1.354 349 E HN 0.146 nan 8.360 nan 0.000 0.400 350 L N 2.014 123.202 121.223 -0.059 0.000 3.001 350 L HA 0.340 4.680 4.340 -0.000 0.000 0.234 350 L C 0.443 177.293 176.870 -0.033 0.000 1.321 350 L CA 0.035 54.841 54.840 -0.057 0.000 1.138 350 L CB -0.853 41.152 42.059 -0.090 0.000 1.503 350 L HN 0.527 nan 8.230 nan 0.000 0.487 351 R N -1.755 118.731 120.500 -0.024 0.000 3.041 351 R HA -0.080 4.260 4.340 -0.000 0.000 0.310 351 R C 0.140 176.426 176.300 -0.022 0.000 1.070 351 R CA 0.233 56.322 56.100 -0.017 0.000 0.741 351 R CB -1.563 28.726 30.300 -0.018 0.000 1.592 351 R HN -0.033 nan 8.270 nan 0.000 0.426 352 V N -1.156 118.743 119.914 -0.024 0.000 4.112 352 V HA -0.395 3.725 4.120 -0.000 0.000 0.233 352 V C 0.488 176.565 176.094 -0.030 0.000 0.458 352 V CA 2.357 64.642 62.300 -0.025 0.000 0.909 352 V CB -1.317 30.495 31.823 -0.019 0.000 0.963 352 V HN 0.443 nan 8.190 nan 0.000 1.260 353 K N -0.589 119.789 120.400 -0.037 0.000 2.439 353 K HA 0.738 5.058 4.320 -0.000 0.000 0.260 353 K C 0.016 176.586 176.600 -0.051 0.000 1.032 353 K CA -0.926 55.338 56.287 -0.040 0.000 0.882 353 K CB 2.095 34.573 32.500 -0.037 0.000 1.420 353 K HN 0.012 nan 8.250 nan 0.000 0.455 354 E N 0.540 120.711 120.200 -0.048 0.000 3.858 354 E HA 0.130 4.480 4.350 -0.000 0.000 0.208 354 E C -0.882 175.692 176.600 -0.044 0.000 1.041 354 E CA -0.154 56.213 56.400 -0.055 0.000 1.368 354 E CB 0.132 29.801 29.700 -0.052 0.000 1.176 354 E HN 0.611 nan 8.360 nan 0.000 0.448 355 S N -1.259 114.415 115.700 -0.042 0.000 2.708 355 S HA 0.099 4.569 4.470 -0.000 0.000 0.214 355 S C -0.460 174.112 174.600 -0.046 0.000 0.820 355 S CA -0.693 57.485 58.200 -0.036 0.000 1.439 355 S CB -0.214 62.966 63.200 -0.033 0.000 1.275 355 S HN 0.113 nan 8.310 nan 0.000 0.588 356 D N 1.928 122.299 120.400 -0.048 0.000 2.373 356 D HA 0.485 5.125 4.640 -0.000 0.000 0.227 356 D C 0.801 177.075 176.300 -0.044 0.000 1.091 356 D CA -0.088 53.876 54.000 -0.059 0.000 0.840 356 D CB 0.958 41.729 40.800 -0.049 0.000 1.060 356 D HN 0.284 nan 8.370 nan 0.000 0.502 357 R N 0.984 121.451 120.500 -0.055 0.000 4.021 357 R HA -0.288 4.052 4.340 -0.000 0.000 0.448 357 R C 1.565 177.887 176.300 0.036 0.000 0.916 357 R CA 1.149 57.250 56.100 0.001 0.000 1.618 357 R CB -1.131 29.180 30.300 0.018 0.000 2.271 357 R HN 0.433 nan 8.270 nan 0.000 0.507 358 L N 0.156 121.382 121.223 0.006 0.000 2.131 358 L HA 0.080 4.420 4.340 -0.000 0.000 0.206 358 L C 1.821 178.709 176.870 0.030 0.000 1.087 358 L CA 2.183 57.031 54.840 0.012 0.000 0.767 358 L CB -0.115 41.925 42.059 -0.032 0.000 0.917 358 L HN 0.080 nan 8.230 nan 0.000 0.441 359 S N 0.065 115.769 115.700 0.008 0.000 2.383 359 S HA -0.048 4.422 4.470 -0.000 0.000 0.227 359 S C 2.118 176.745 174.600 0.044 0.000 1.026 359 S CA 0.968 59.175 58.200 0.013 0.000 0.981 359 S CB -0.517 62.672 63.200 -0.018 0.000 0.818 359 S HN 0.668 nan 8.310 nan 0.000 0.472 360 A N 1.266 124.121 122.820 0.057 0.000 1.883 360 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 360 A C 2.334 179.997 177.584 0.131 0.000 1.186 360 A CA 1.683 53.798 52.037 0.131 0.000 0.624 360 A CB -1.002 18.130 19.000 0.220 0.000 0.822 360 A HN 0.338 nan 8.150 nan 0.000 0.444 361 V N -0.204 119.822 119.914 0.187 0.000 2.261 361 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 361 V C 3.094 179.353 176.094 0.275 0.000 1.047 361 V CA 2.048 64.540 62.300 0.321 0.000 1.015 361 V CB -1.329 30.645 31.823 0.252 0.000 0.642 361 V HN 0.639 nan 8.190 nan 0.000 0.446 362 A N 0.499 123.411 122.820 0.153 0.000 1.892 362 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 362 A C 2.058 179.695 177.584 0.088 0.000 1.188 362 A CA 2.277 54.380 52.037 0.111 0.000 0.631 362 A CB -0.769 18.268 19.000 0.062 0.000 0.822 362 A HN 0.619 nan 8.150 nan 0.000 0.447 363 N N 0.043 118.774 118.700 0.053 0.000 2.120 363 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 363 N C 1.861 177.334 175.510 -0.061 0.000 1.024 363 N CA 1.501 54.554 53.050 0.004 0.000 0.852 363 N CB -0.886 37.604 38.487 0.006 0.000 1.003 363 N HN 0.495 nan 8.380 nan 0.000 0.424 364 G N 1.579 110.280 108.800 -0.165 0.000 2.418 364 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 364 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 364 G C 1.739 176.555 174.900 -0.140 0.000 1.158 364 G CA 0.383 45.128 45.100 -0.592 0.000 0.771 364 G HN 0.208 nan 8.290 nan 0.000 0.545 365 L N -0.087 121.306 121.223 0.283 0.000 1.994 365 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 365 L C 3.001 179.948 176.870 0.129 0.000 1.071 365 L CA 1.547 56.582 54.840 0.326 0.000 0.745 365 L CB -0.398 41.801 42.059 0.234 0.000 0.892 365 L HN 0.166 nan 8.230 nan 0.000 0.431 366 K N -0.146 120.296 120.400 0.069 0.000 2.063 366 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 366 K C 2.022 178.630 176.600 0.013 0.000 1.048 366 K CA 1.286 57.590 56.287 0.030 0.000 0.928 366 K CB -0.388 32.122 32.500 0.017 0.000 0.713 366 K HN 0.059 nan 8.250 nan 0.000 0.442 367 L N 1.792 123.008 121.223 -0.012 0.000 2.187 367 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 367 L C 0.753 177.624 176.870 0.001 0.000 1.100 367 L CA 1.688 56.510 54.840 -0.029 0.000 0.765 367 L CB -0.227 41.779 42.059 -0.089 0.000 0.904 367 L HN 0.176 nan 8.230 nan 0.000 0.437 368 N N -0.118 118.606 118.700 0.040 0.000 2.376 368 N HA 0.178 4.918 4.740 -0.000 0.000 0.249 368 N C 1.019 176.558 175.510 0.048 0.000 1.140 368 N CA 0.754 53.848 53.050 0.073 0.000 0.870 368 N CB 0.350 38.936 38.487 0.165 0.000 1.124 368 N HN 0.439 nan 8.380 nan 0.000 0.505 369 G N 0.125 108.940 108.800 0.024 0.000 2.155 369 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 369 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 369 G C 0.162 175.054 174.900 -0.014 0.000 0.983 369 G CA 0.109 45.212 45.100 0.005 0.000 0.676 369 G HN 0.233 nan 8.290 nan 0.000 0.528 370 V N 1.104 121.015 119.914 -0.006 0.000 2.488 370 V HA 0.354 4.474 4.120 -0.000 0.000 0.277 370 V C 0.551 176.636 176.094 -0.016 0.000 1.046 370 V CA -0.116 62.164 62.300 -0.033 0.000 0.986 370 V CB 1.658 33.468 31.823 -0.022 0.000 0.989 370 V HN 0.383 nan 8.190 nan 0.000 0.475 371 D N 5.129 125.511 120.400 -0.030 0.000 2.374 371 D HA 0.337 4.977 4.640 -0.000 0.000 0.240 371 D C -0.265 176.029 176.300 -0.010 0.000 1.229 371 D CA -0.094 53.896 54.000 -0.016 0.000 0.895 371 D CB 0.249 41.037 40.800 -0.021 0.000 1.046 371 D HN 0.781 nan 8.370 nan 0.000 0.498 372 C N 2.146 121.448 119.300 0.003 0.000 3.090 372 C HA 0.734 5.194 4.460 -0.000 0.000 0.305 372 C C -1.238 173.760 174.990 0.013 0.000 1.292 372 C CA -0.950 58.074 59.018 0.011 0.000 1.482 372 C CB 2.065 29.819 27.740 0.024 0.000 1.897 372 C HN 0.466 nan 8.230 nan 0.000 0.469 373 D N 1.621 122.029 120.400 0.013 0.000 2.593 373 D HA 0.351 4.991 4.640 -0.000 0.000 0.251 373 D C -1.030 175.276 176.300 0.011 0.000 1.140 373 D CA 0.209 54.215 54.000 0.010 0.000 0.855 373 D CB 2.143 42.947 40.800 0.006 0.000 1.267 373 D HN 0.810 nan 8.370 nan 0.000 0.532 374 E N 1.584 121.790 120.200 0.010 0.000 2.146 374 E HA 0.533 4.883 4.350 -0.000 0.000 0.282 374 E C -0.357 176.242 176.600 -0.002 0.000 0.989 374 E CA -0.639 55.765 56.400 0.006 0.000 0.799 374 E CB 1.125 30.830 29.700 0.009 0.000 1.088 374 E HN 0.527 nan 8.360 nan 0.000 0.397 375 G N 2.557 111.353 108.800 -0.007 0.000 2.820 375 G HA2 0.083 4.043 3.960 -0.000 0.000 0.291 375 G HA3 0.083 4.043 3.960 -0.000 0.000 0.291 375 G C 0.126 175.015 174.900 -0.018 0.000 1.323 375 G CA -0.434 44.659 45.100 -0.011 0.000 1.055 375 G HN 0.682 nan 8.290 nan 0.000 0.520 376 E N -1.706 118.482 120.200 -0.019 0.000 2.478 376 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 376 E C 1.116 177.698 176.600 -0.030 0.000 1.045 376 E CA 0.724 57.110 56.400 -0.024 0.000 0.868 376 E CB 0.349 30.036 29.700 -0.020 0.000 0.885 376 E HN 0.417 nan 8.360 nan 0.000 0.505 377 T N -1.229 113.308 114.554 -0.028 0.000 3.010 377 T HA 0.067 4.417 4.350 -0.000 0.000 0.253 377 T C -0.103 174.575 174.700 -0.036 0.000 0.939 377 T CA 0.258 62.339 62.100 -0.033 0.000 0.910 377 T CB 0.950 69.805 68.868 -0.023 0.000 1.226 377 T HN 0.131 nan 8.240 nan 0.000 0.508 378 S N 1.187 116.871 115.700 -0.027 0.000 2.541 378 S HA 0.746 5.216 4.470 -0.000 0.000 0.271 378 S C -1.611 172.982 174.600 -0.011 0.000 1.133 378 S CA -0.968 57.220 58.200 -0.021 0.000 0.876 378 S CB 2.167 65.364 63.200 -0.006 0.000 1.105 378 S HN 0.128 nan 8.310 nan 0.000 0.470 379 L N 2.940 124.161 121.223 -0.003 0.000 2.282 379 L HA 0.782 5.122 4.340 -0.000 0.000 0.288 379 L C -1.234 175.652 176.870 0.026 0.000 1.033 379 L CA -0.374 54.474 54.840 0.014 0.000 0.807 379 L CB 1.299 43.375 42.059 0.028 0.000 1.209 379 L HN 0.672 nan 8.230 nan 0.000 0.423 380 V N 6.016 125.943 119.914 0.021 0.000 2.448 380 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 380 V C -0.486 175.619 176.094 0.018 0.000 1.025 380 V CA -0.614 61.697 62.300 0.019 0.000 0.859 380 V CB 1.824 33.654 31.823 0.012 0.000 0.988 380 V HN 0.554 nan 8.190 nan 0.000 0.431 381 V N 5.700 125.624 119.914 0.017 0.000 2.487 381 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 381 V C -0.095 175.996 176.094 -0.006 0.000 1.028 381 V CA -0.818 61.485 62.300 0.006 0.000 0.860 381 V CB 2.053 33.881 31.823 0.009 0.000 0.991 381 V HN 0.791 nan 8.190 nan 0.000 0.427 382 R N 2.438 122.927 120.500 -0.018 0.000 2.295 382 R HA 0.630 4.970 4.340 -0.000 0.000 0.324 382 R C 0.414 176.685 176.300 -0.049 0.000 0.968 382 R CA -0.238 55.848 56.100 -0.022 0.000 0.837 382 R CB 1.853 32.143 30.300 -0.018 0.000 1.133 382 R HN 0.928 nan 8.270 nan 0.000 0.450 383 G N 1.223 109.995 108.800 -0.048 0.000 2.522 383 G HA2 0.322 4.282 3.960 -0.000 0.000 0.304 383 G HA3 0.322 4.282 3.960 -0.000 0.000 0.304 383 G C -0.478 174.376 174.900 -0.077 0.000 1.210 383 G CA -0.365 44.683 45.100 -0.088 0.000 0.960 383 G HN 0.312 nan 8.290 nan 0.000 0.497 384 R N 0.688 121.118 120.500 -0.116 0.000 2.721 384 R HA 0.249 4.589 4.340 -0.000 0.000 0.272 384 R C -1.948 174.381 176.300 0.048 0.000 1.721 384 R CA -1.712 54.358 56.100 -0.051 0.000 1.325 384 R CB 1.885 32.132 30.300 -0.088 0.000 1.271 384 R HN 0.292 nan 8.270 nan 0.000 0.556 385 P HA -0.217 nan 4.420 nan 0.000 0.218 385 P C 0.501 177.941 177.300 0.233 0.000 1.154 385 P CA 1.558 64.775 63.100 0.195 0.000 0.872 385 P CB 0.253 32.018 31.700 0.108 0.000 0.790 386 D N -1.840 118.654 120.400 0.157 0.000 2.349 386 D HA 0.088 4.728 4.640 -0.000 0.000 0.224 386 D C 1.483 177.901 176.300 0.197 0.000 1.029 386 D CA 0.559 54.643 54.000 0.141 0.000 0.879 386 D CB -1.240 39.609 40.800 0.083 0.000 0.906 386 D HN 0.266 nan 8.370 nan 0.000 0.528 387 G N 0.393 109.374 108.800 0.302 0.000 2.186 387 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.266 387 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.266 387 G C 0.211 175.208 174.900 0.161 0.000 0.982 387 G CA 0.454 45.764 45.100 0.351 0.000 0.670 387 G HN 0.484 nan 8.290 nan 0.000 0.533 388 K N -0.081 120.378 120.400 0.098 0.000 2.448 388 K HA 0.380 4.700 4.320 -0.000 0.000 0.278 388 K C 1.546 178.168 176.600 0.037 0.000 1.009 388 K CA 0.761 57.085 56.287 0.062 0.000 0.995 388 K CB 0.425 32.953 32.500 0.046 0.000 0.917 388 K HN 1.162 nan 8.250 nan 0.000 0.481 389 G N 2.011 110.833 108.800 0.037 0.000 2.205 389 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.261 389 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.261 389 G C 0.183 175.096 174.900 0.022 0.000 0.980 389 G CA 0.020 45.134 45.100 0.023 0.000 0.632 389 G HN 0.443 nan 8.290 nan 0.000 0.533 390 L N 0.065 121.309 121.223 0.035 0.000 2.431 390 L HA 0.669 5.009 4.340 -0.000 0.000 0.260 390 L C 1.426 178.349 176.870 0.089 0.000 1.098 390 L CA 0.058 54.919 54.840 0.036 0.000 0.800 390 L CB 0.985 43.033 42.059 -0.018 0.000 1.210 390 L HN 1.196 nan 8.230 nan 0.000 0.465 391 G N 1.197 110.062 108.800 0.108 0.000 2.660 391 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 391 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 391 G C -0.917 174.030 174.900 0.078 0.000 1.345 391 G CA -0.437 44.736 45.100 0.122 0.000 0.877 391 G HN 0.783 nan 8.290 nan 0.000 0.549 392 N N -0.021 118.718 118.700 0.066 0.000 2.599 392 N HA 0.486 5.226 4.740 -0.000 0.000 0.283 392 N C 0.889 176.420 175.510 0.035 0.000 1.160 392 N CA 0.533 53.608 53.050 0.041 0.000 0.869 392 N CB 1.429 39.933 38.487 0.028 0.000 1.448 392 N HN 1.347 nan 8.380 nan 0.000 0.535 393 A N 2.051 124.889 122.820 0.030 0.000 2.125 393 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 393 A C 1.811 179.406 177.584 0.018 0.000 1.156 393 A CA 1.841 53.893 52.037 0.025 0.000 0.671 393 A CB -0.241 18.773 19.000 0.023 0.000 0.794 393 A HN 0.701 nan 8.150 nan 0.000 0.459 394 S N -2.028 113.680 115.700 0.014 0.000 2.558 394 S HA 0.364 4.834 4.470 -0.000 0.000 0.217 394 S C 1.413 176.017 174.600 0.006 0.000 0.975 394 S CA 1.097 59.302 58.200 0.008 0.000 0.912 394 S CB -0.266 62.936 63.200 0.004 0.000 0.776 394 S HN 1.866 nan 8.310 nan 0.000 0.526 395 G N 0.829 109.635 108.800 0.010 0.000 2.157 395 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.248 395 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.248 395 G C 0.306 175.204 174.900 -0.002 0.000 0.979 395 G CA -0.077 45.027 45.100 0.007 0.000 0.650 395 G HN 1.443 nan 8.290 nan 0.000 0.529 396 A N 0.085 122.901 122.820 -0.006 0.000 2.573 396 A HA 0.558 4.878 4.320 -0.000 0.000 0.250 396 A C 1.051 178.615 177.584 -0.034 0.000 1.049 396 A CA 1.410 53.434 52.037 -0.021 0.000 0.767 396 A CB 0.071 19.058 19.000 -0.022 0.000 0.965 396 A HN 2.151 nan 8.150 nan 0.000 0.514 397 A N 3.327 126.118 122.820 -0.049 0.000 2.309 397 A HA 0.554 4.874 4.320 -0.000 0.000 0.298 397 A C 0.214 177.726 177.584 -0.120 0.000 1.165 397 A CA -0.476 51.520 52.037 -0.067 0.000 0.821 397 A CB 0.431 19.397 19.000 -0.058 0.000 1.102 397 A HN 1.062 nan 8.150 nan 0.000 0.500 398 V N 1.983 121.796 119.914 -0.167 0.000 2.637 398 V HA 0.314 4.434 4.120 -0.000 0.000 0.296 398 V C 1.067 177.007 176.094 -0.255 0.000 1.046 398 V CA 0.293 62.415 62.300 -0.298 0.000 1.066 398 V CB 0.948 32.448 31.823 -0.537 0.000 0.968 398 V HN 1.034 nan 8.190 nan 0.000 0.483 399 A N 3.698 126.348 122.820 -0.283 0.000 2.410 399 A HA 0.393 4.713 4.320 -0.000 0.000 0.292 399 A C 1.358 178.710 177.584 -0.387 0.000 1.232 399 A CA 0.231 52.039 52.037 -0.381 0.000 0.893 399 A CB 0.022 18.724 19.000 -0.496 0.000 1.131 399 A HN 1.071 nan 8.150 nan 0.000 0.530 400 T N -0.586 113.810 114.554 -0.263 0.000 3.023 400 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 400 T C 0.765 175.456 174.700 -0.014 0.000 1.093 400 T CA 1.040 63.079 62.100 -0.102 0.000 1.129 400 T CB -0.444 68.396 68.868 -0.047 0.000 0.899 400 T HN 0.831 nan 8.240 nan 0.000 0.491 401 H N 1.468 120.531 119.070 -0.011 0.000 2.770 401 H HA -0.130 4.426 4.556 -0.000 0.000 0.309 401 H C 0.805 176.143 175.328 0.015 0.000 1.206 401 H CA 0.904 56.952 56.048 0.000 0.000 1.147 401 H CB -2.250 27.512 29.762 0.000 0.000 1.422 401 H HN 0.551 nan 8.280 nan 0.000 0.420 402 L N -1.399 119.868 121.223 0.073 0.000 4.179 402 L HA -0.245 4.095 4.340 -0.000 0.000 0.418 402 L C 0.508 177.442 176.870 0.107 0.000 1.168 402 L CA 1.334 56.218 54.840 0.074 0.000 0.972 402 L CB -0.716 41.388 42.059 0.074 0.000 2.005 402 L HN 0.331 nan 8.230 nan 0.000 0.935 403 D N 0.236 120.695 120.400 0.098 0.000 2.396 403 D HA 0.123 4.763 4.640 -0.000 0.000 0.225 403 D C 1.673 177.982 176.300 0.014 0.000 1.121 403 D CA -0.197 53.848 54.000 0.076 0.000 0.853 403 D CB 0.639 41.470 40.800 0.053 0.000 1.043 403 D HN 0.318 nan 8.370 nan 0.000 0.500 404 H N 4.240 123.318 119.070 0.012 0.000 2.387 404 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 404 H C 1.160 176.448 175.328 -0.068 0.000 1.099 404 H CA 0.906 56.924 56.048 -0.050 0.000 1.315 404 H CB -0.033 29.704 29.762 -0.041 0.000 1.380 404 H HN 0.371 nan 8.280 nan 0.000 0.513 405 R N 0.351 120.490 120.500 -0.602 0.000 2.096 405 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 405 R C 2.751 179.060 176.300 0.014 0.000 1.127 405 R CA 1.521 57.498 56.100 -0.204 0.000 0.968 405 R CB -0.104 30.081 30.300 -0.191 0.000 0.861 405 R HN 0.328 nan 8.270 nan 0.000 0.440 406 I N 0.459 121.053 120.570 0.040 0.000 2.286 406 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 406 I C 2.602 178.864 176.117 0.242 0.000 1.104 406 I CA 0.957 62.397 61.300 0.234 0.000 1.397 406 I CB -0.369 37.763 38.000 0.220 0.000 1.072 406 I HN 0.168 nan 8.210 nan 0.000 0.417 407 A N 0.923 123.774 122.820 0.052 0.000 1.865 407 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 407 A C 2.359 179.882 177.584 -0.101 0.000 1.191 407 A CA 1.861 53.894 52.037 -0.007 0.000 0.623 407 A CB -0.609 18.346 19.000 -0.076 0.000 0.826 407 A HN 0.335 nan 8.150 nan 0.000 0.444 408 M N -0.565 118.810 119.600 -0.374 0.000 2.200 408 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 408 M C 2.387 178.578 176.300 -0.181 0.000 1.066 408 M CA 1.498 56.339 55.300 -0.765 0.000 1.127 408 M CB -0.299 31.174 32.600 -1.878 0.000 1.379 408 M HN 0.402 nan 8.290 nan 0.000 0.420 409 S N 0.323 116.073 115.700 0.083 0.000 2.368 409 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 409 S C 1.582 176.145 174.600 -0.061 0.000 1.030 409 S CA 1.315 59.611 58.200 0.160 0.000 0.999 409 S CB -0.370 62.848 63.200 0.030 0.000 0.844 409 S HN 0.340 nan 8.310 nan 0.000 0.459 410 F N 1.313 121.332 119.950 0.116 0.000 2.367 410 F HA 0.161 4.688 4.527 -0.000 0.000 0.298 410 F C 1.893 177.762 175.800 0.115 0.000 1.094 410 F CA 0.445 58.512 58.000 0.111 0.000 1.409 410 F CB -0.350 38.692 39.000 0.070 0.000 1.064 410 F HN 0.110 nan 8.300 nan 0.000 0.528 411 L N -1.011 120.348 121.223 0.228 0.000 2.093 411 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 411 L C 2.347 179.345 176.870 0.213 0.000 1.085 411 L CA 0.615 55.585 54.840 0.216 0.000 0.755 411 L CB -0.706 41.508 42.059 0.258 0.000 0.904 411 L HN -0.039 nan 8.230 nan 0.000 0.435 412 V N -0.096 119.963 119.914 0.242 0.000 2.343 412 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 412 V C 2.474 178.623 176.094 0.092 0.000 1.051 412 V CA 2.020 64.436 62.300 0.193 0.000 1.036 412 V CB -0.344 31.635 31.823 0.260 0.000 0.654 412 V HN 0.468 nan 8.190 nan 0.000 0.451 413 M N 0.511 120.177 119.600 0.111 0.000 2.108 413 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 413 M C 1.974 178.375 176.300 0.168 0.000 1.066 413 M CA 2.371 57.771 55.300 0.167 0.000 1.107 413 M CB -0.620 32.115 32.600 0.225 0.000 1.356 413 M HN 0.388 nan 8.290 nan 0.000 0.406 414 G N 0.309 109.208 108.800 0.164 0.000 2.498 414 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 414 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 414 G C 1.311 176.251 174.900 0.067 0.000 1.119 414 G CA 0.530 45.709 45.100 0.133 0.000 0.766 414 G HN 0.503 nan 8.290 nan 0.000 0.552 415 L N -0.007 121.231 121.223 0.025 0.000 2.395 415 L HA 0.039 4.379 4.340 -0.000 0.000 0.218 415 L C 2.205 179.030 176.870 -0.075 0.000 1.130 415 L CA 0.178 55.005 54.840 -0.021 0.000 0.826 415 L CB 0.025 42.064 42.059 -0.034 0.000 0.941 415 L HN 0.142 nan 8.230 nan 0.000 0.451 416 V N -2.559 117.273 119.914 -0.136 0.000 3.219 416 V HA 0.059 4.179 4.120 -0.000 0.000 0.240 416 V C 1.254 177.346 176.094 -0.004 0.000 1.222 416 V CA 0.364 62.507 62.300 -0.262 0.000 1.181 416 V CB 0.356 31.636 31.823 -0.905 0.000 0.941 416 V HN 0.397 nan 8.190 nan 0.000 0.471 417 S N 0.835 116.660 115.700 0.208 0.000 2.568 417 S HA 0.008 4.478 4.470 -0.000 0.000 0.282 417 S C 1.072 175.777 174.600 0.176 0.000 1.338 417 S CA 0.388 58.795 58.200 0.344 0.000 1.045 417 S CB 1.088 64.486 63.200 0.330 0.000 0.873 417 S HN 0.557 nan 8.310 nan 0.000 0.516 418 E N 2.337 122.631 120.200 0.156 0.000 2.085 418 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 418 E C 0.014 176.662 176.600 0.079 0.000 0.994 418 E CA 0.994 57.452 56.400 0.096 0.000 0.801 418 E CB 0.050 29.798 29.700 0.081 0.000 0.743 418 E HN 0.725 nan 8.360 nan 0.000 0.453 419 N N 1.305 120.057 118.700 0.087 0.000 2.456 419 N HA 0.249 4.989 4.740 -0.000 0.000 0.296 419 N C -2.573 172.988 175.510 0.085 0.000 1.102 419 N CA -1.553 51.540 53.050 0.071 0.000 0.924 419 N CB 1.358 39.881 38.487 0.059 0.000 1.186 419 N HN 0.058 nan 8.380 nan 0.000 0.492 420 P HA 0.014 nan 4.420 nan 0.000 0.269 420 P C -0.502 176.853 177.300 0.092 0.000 1.217 420 P CA -0.031 63.114 63.100 0.074 0.000 0.783 420 P CB 0.820 32.551 31.700 0.053 0.000 0.898 421 V N 2.036 122.015 119.914 0.109 0.000 2.540 421 V HA 0.380 4.500 4.120 -0.000 0.000 0.302 421 V C 0.277 176.433 176.094 0.103 0.000 1.035 421 V CA -0.220 62.160 62.300 0.133 0.000 0.873 421 V CB 2.008 33.962 31.823 0.219 0.000 0.992 421 V HN 0.563 nan 8.190 nan 0.000 0.428 422 T N 3.931 118.526 114.554 0.067 0.000 2.856 422 T HA 0.661 5.011 4.350 -0.000 0.000 0.283 422 T C -0.450 174.258 174.700 0.014 0.000 1.008 422 T CA -0.488 61.635 62.100 0.039 0.000 0.997 422 T CB 1.806 70.683 68.868 0.014 0.000 0.992 422 T HN 0.700 nan 8.240 nan 0.000 0.454 423 V N 0.407 120.330 119.914 0.015 0.000 2.581 423 V HA 0.515 4.635 4.120 -0.000 0.000 0.303 423 V C 0.882 176.954 176.094 -0.037 0.000 1.041 423 V CA -0.938 61.352 62.300 -0.017 0.000 0.907 423 V CB 1.681 33.517 31.823 0.022 0.000 0.994 423 V HN 0.854 nan 8.190 nan 0.000 0.442 424 D N 1.161 121.518 120.400 -0.072 0.000 2.264 424 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 424 D C 0.207 176.479 176.300 -0.048 0.000 0.966 424 D CA 1.166 55.125 54.000 -0.067 0.000 0.864 424 D CB 0.151 40.890 40.800 -0.101 0.000 0.933 424 D HN 0.789 nan 8.370 nan 0.000 0.499 425 D N -2.121 118.254 120.400 -0.042 0.000 2.886 425 D HA 0.562 5.202 4.640 -0.000 0.000 0.216 425 D C -0.705 175.583 176.300 -0.020 0.000 1.256 425 D CA -0.425 53.559 54.000 -0.027 0.000 0.844 425 D CB 1.699 42.482 40.800 -0.028 0.000 1.669 425 D HN -0.099 nan 8.370 nan 0.000 0.513 426 A N 1.860 124.672 122.820 -0.014 0.000 2.419 426 A HA 0.156 4.476 4.320 -0.000 0.000 0.233 426 A C 1.760 179.334 177.584 -0.016 0.000 1.217 426 A CA 0.902 52.927 52.037 -0.020 0.000 0.944 426 A CB -0.330 18.668 19.000 -0.002 0.000 1.025 426 A HN 0.635 nan 8.150 nan 0.000 0.524 427 T N -1.712 112.838 114.554 -0.007 0.000 2.699 427 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 427 T C 1.766 176.465 174.700 -0.002 0.000 1.036 427 T CA 1.825 63.923 62.100 -0.003 0.000 1.147 427 T CB -0.519 68.349 68.868 -0.001 0.000 0.862 427 T HN 0.145 nan 8.240 nan 0.000 0.446 428 M N 0.787 120.391 119.600 0.007 0.000 2.435 428 M HA 0.165 4.645 4.480 -0.000 0.000 0.262 428 M C 2.157 178.465 176.300 0.014 0.000 1.065 428 M CA 0.547 55.861 55.300 0.023 0.000 1.076 428 M CB -1.214 31.427 32.600 0.069 0.000 1.403 428 M HN 0.444 nan 8.290 nan 0.000 0.454 429 I N -0.311 120.250 120.570 -0.015 0.000 2.315 429 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 429 I C 2.451 178.560 176.117 -0.014 0.000 1.117 429 I CA 0.889 62.158 61.300 -0.050 0.000 1.404 429 I CB -0.577 37.337 38.000 -0.144 0.000 1.071 429 I HN 0.200 nan 8.210 nan 0.000 0.419 430 A N 0.447 123.262 122.820 -0.008 0.000 1.978 430 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 430 A C 2.235 179.822 177.584 0.004 0.000 1.170 430 A CA 2.219 54.259 52.037 0.004 0.000 0.636 430 A CB -0.908 18.093 19.000 0.001 0.000 0.810 430 A HN 0.406 nan 8.150 nan 0.000 0.448 431 T N -0.568 113.975 114.554 -0.019 0.000 3.129 431 T HA 0.074 4.424 4.350 -0.000 0.000 0.251 431 T C 1.699 176.345 174.700 -0.090 0.000 1.117 431 T CA 1.143 63.217 62.100 -0.043 0.000 1.034 431 T CB -0.028 68.810 68.868 -0.051 0.000 0.968 431 T HN 0.735 nan 8.240 nan 0.000 0.526 432 S N -0.188 115.461 115.700 -0.085 0.000 2.930 432 S HA 0.339 4.809 4.470 -0.000 0.000 0.253 432 S C 0.345 175.019 174.600 0.123 0.000 1.083 432 S CA -0.658 57.465 58.200 -0.129 0.000 0.836 432 S CB 0.067 62.969 63.200 -0.497 0.000 0.814 432 S HN 0.437 nan 8.310 nan 0.000 0.467 433 F N 3.709 123.645 119.950 -0.025 0.000 2.664 433 F HA 0.375 4.902 4.527 -0.000 0.000 0.353 433 F C -2.375 173.475 175.800 0.082 0.000 1.498 433 F CA -2.212 55.823 58.000 0.058 0.000 1.109 433 F CB 1.589 40.645 39.000 0.092 0.000 1.728 433 F HN 0.004 nan 8.300 nan 0.000 0.580 434 P HA -0.265 nan 4.420 nan 0.000 0.217 434 P C 0.870 178.147 177.300 -0.038 0.000 1.148 434 P CA 1.599 64.724 63.100 0.043 0.000 0.828 434 P CB 0.101 31.835 31.700 0.058 0.000 0.783 435 E N -1.012 119.156 120.200 -0.053 0.000 2.502 435 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 435 E C 1.797 178.126 176.600 -0.451 0.000 1.062 435 E CA -0.114 56.201 56.400 -0.142 0.000 0.867 435 E CB -1.295 28.427 29.700 0.035 0.000 0.888 435 E HN 0.228 nan 8.360 nan 0.000 0.510 436 F N 2.372 121.717 119.950 -1.008 0.000 2.043 436 F HA -0.287 4.240 4.527 -0.000 0.000 0.297 436 F C 2.143 177.666 175.800 -0.462 0.000 1.118 436 F CA 1.936 59.286 58.000 -1.083 0.000 1.202 436 F CB -0.158 38.316 39.000 -0.876 0.000 0.965 436 F HN -0.104 nan 8.300 nan 0.000 0.482 437 M N 0.260 119.719 119.600 -0.235 0.000 2.082 437 M HA -0.247 4.233 4.480 -0.000 0.000 0.258 437 M C 1.942 178.088 176.300 -0.256 0.000 1.069 437 M CA 1.839 57.008 55.300 -0.219 0.000 1.102 437 M CB -1.495 31.076 32.600 -0.050 0.000 1.336 437 M HN 0.191 nan 8.290 nan 0.000 0.404 438 D N 0.263 120.546 120.400 -0.196 0.000 2.097 438 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 438 D C 2.182 178.383 176.300 -0.166 0.000 0.984 438 D CA 0.842 54.756 54.000 -0.144 0.000 0.826 438 D CB -0.408 40.337 40.800 -0.091 0.000 0.973 438 D HN 0.309 nan 8.370 nan 0.000 0.460 439 L N -0.158 120.941 121.223 -0.207 0.000 2.012 439 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 439 L C 2.247 178.996 176.870 -0.201 0.000 1.073 439 L CA 1.279 56.024 54.840 -0.158 0.000 0.748 439 L CB -0.093 41.896 42.059 -0.117 0.000 0.891 439 L HN -0.040 nan 8.230 nan 0.000 0.431 440 M N -0.214 119.162 119.600 -0.373 0.000 2.086 440 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 440 M C 2.329 178.492 176.300 -0.228 0.000 1.067 440 M CA 2.084 57.161 55.300 -0.371 0.000 1.116 440 M CB -0.979 31.194 32.600 -0.712 0.000 1.348 440 M HN 0.399 nan 8.290 nan 0.000 0.407 441 A N -0.735 121.956 122.820 -0.214 0.000 1.933 441 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 441 A C 2.344 179.870 177.584 -0.096 0.000 1.175 441 A CA 1.820 53.779 52.037 -0.130 0.000 0.628 441 A CB -1.646 17.288 19.000 -0.110 0.000 0.814 441 A HN 0.556 nan 8.150 nan 0.000 0.444 442 G N -0.215 108.526 108.800 -0.098 0.000 2.450 442 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.220 442 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.220 442 G C 1.385 176.252 174.900 -0.055 0.000 1.130 442 G CA 1.013 46.074 45.100 -0.065 0.000 0.760 442 G HN 0.466 nan 8.290 nan 0.000 0.557 443 L N 0.114 121.297 121.223 -0.067 0.000 2.552 443 L HA 0.251 4.591 4.340 -0.000 0.000 0.227 443 L C 2.000 178.841 176.870 -0.047 0.000 1.146 443 L CA 0.555 55.365 54.840 -0.050 0.000 0.858 443 L CB 0.095 42.123 42.059 -0.051 0.000 0.969 443 L HN 0.407 nan 8.230 nan 0.000 0.451 444 G N -0.518 108.249 108.800 -0.055 0.000 2.168 444 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.197 444 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.197 444 G C 0.277 175.146 174.900 -0.051 0.000 0.997 444 G CA -0.202 44.871 45.100 -0.045 0.000 0.658 444 G HN 0.419 nan 8.290 nan 0.000 0.513 445 A N 0.179 122.956 122.820 -0.071 0.000 2.388 445 A HA 0.661 4.981 4.320 -0.000 0.000 0.257 445 A C 0.469 178.017 177.584 -0.060 0.000 1.095 445 A CA 0.429 52.424 52.037 -0.071 0.000 0.791 445 A CB 0.569 19.503 19.000 -0.111 0.000 1.029 445 A HN 0.462 nan 8.150 nan 0.000 0.489 446 K N 3.060 123.439 120.400 -0.036 0.000 2.347 446 K HA 0.541 4.861 4.320 -0.000 0.000 0.262 446 K C -1.464 175.131 176.600 -0.009 0.000 1.052 446 K CA -0.072 56.201 56.287 -0.023 0.000 0.946 446 K CB 0.214 32.707 32.500 -0.012 0.000 1.220 446 K HN 0.675 nan 8.250 nan 0.000 0.450 447 I N 4.519 125.080 120.570 -0.015 0.000 2.411 447 I HA 0.165 4.335 4.170 -0.000 0.000 0.284 447 I C -0.461 175.661 176.117 0.008 0.000 1.012 447 I CA -0.713 60.593 61.300 0.009 0.000 1.119 447 I CB 1.765 39.774 38.000 0.015 0.000 1.261 447 I HN 0.481 nan 8.210 nan 0.000 0.448 448 E N 6.166 126.376 120.200 0.016 0.000 2.167 448 E HA 0.375 4.725 4.350 -0.000 0.000 0.284 448 E C -0.935 175.675 176.600 0.016 0.000 1.016 448 E CA -0.817 55.590 56.400 0.011 0.000 0.817 448 E CB 2.187 31.894 29.700 0.011 0.000 1.080 448 E HN 0.256 nan 8.360 nan 0.000 0.397 449 L N 2.770 124.000 121.223 0.011 0.000 2.282 449 L HA 0.244 4.584 4.340 -0.000 0.000 0.288 449 L C 0.346 177.220 176.870 0.006 0.000 1.033 449 L CA 0.037 54.884 54.840 0.012 0.000 0.807 449 L CB 1.499 43.564 42.059 0.010 0.000 1.209 449 L HN 0.513 nan 8.230 nan 0.000 0.423 450 S N 0.000 115.704 115.700 0.006 0.000 2.498 450 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 450 S CA 0.000 58.201 58.200 0.002 0.000 1.107 450 S CB 0.000 63.200 63.200 0.000 0.000 0.593 450 S HN 0.000 nan 8.310 nan 0.000 0.517