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 2zzb_1_C DATA FIRST_RESID 7 DATA SEQUENCE LPKSYDYDLI IIGGGSGGLA AAKEAAQYGK KVMVLDFVTP TPLGTRWGLG DATA SEQUENCE GTcVNVGcIP KKLMHQAALL GQALQDSRNY GWKVEETVKH DWDRMIEAVQ DATA SEQUENCE NHIGSLNWGY RVALREKKVV YENAYGQFIG PHRIKATNNK GKEKIYSAER DATA SEQUENCE FLIATGERPR YLGIPGDKEY CISSDDLFSL PYCPGKTLVV GASYVALECA DATA SEQUENCE GFLAGIGLDV TVMVRSILLR GFDQDMANKI GEHMEEHGIK FIRQFVPIKV DATA SEQUENCE EQIEAGTPGR LRVVAQSTNS EEIIEGEYNT VMLAIGRDAC TRKIGLETVG DATA SEQUENCE VKINEKTGKI PVTDEEQTNV PYIYAIGDIL EDKVELTPVA IQAGRLLAQR DATA SEQUENCE LYAGSTVKCD YENVPTTVFT PLEYGACGLS EEKAVEKFGE ENIEVYHSYF DATA SEQUENCE WPLEWTIPSR DNNKCYAKII CNTKDNERVV GFHVLGPNAG EVTQGFAAAL DATA SEQUENCE KCGLTKKQLD STIGIHPVCA EVFTTLSVTK RSGASILQAG CCG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.832 176.870 -0.064 0.000 1.165 7 L CA 0.000 54.810 54.840 -0.049 0.000 0.813 7 L CB 0.000 42.027 42.059 -0.053 0.000 0.961 8 P HA 0.327 nan 4.420 nan 0.000 0.225 8 P C -0.426 176.801 177.300 -0.121 0.000 1.813 8 P CA 0.090 63.152 63.100 -0.063 0.000 1.013 8 P CB 0.454 32.139 31.700 -0.024 0.000 1.961 9 K N -0.743 119.539 120.400 -0.196 0.000 1.209 9 K HA -0.143 4.177 4.320 -0.001 0.000 0.662 9 K C -0.296 176.049 176.600 -0.426 0.000 2.557 9 K CA 0.465 56.513 56.287 -0.398 0.000 1.862 9 K CB -1.831 30.292 32.500 -0.629 0.000 2.770 9 K HN 0.471 nan 8.250 nan 0.000 0.198 10 S N 1.311 116.667 115.700 -0.572 0.000 2.511 10 S HA 0.525 4.995 4.470 -0.001 0.000 0.233 10 S C -1.467 172.947 174.600 -0.309 0.000 1.104 10 S CA -0.774 57.223 58.200 -0.337 0.000 1.129 10 S CB 0.159 63.254 63.200 -0.175 0.000 1.159 10 S HN 0.342 nan 8.310 nan 0.000 0.451 11 Y N 1.698 122.000 120.300 0.003 0.000 2.432 11 Y HA 0.407 4.956 4.550 -0.001 0.000 0.322 11 Y C 1.654 177.559 175.900 0.009 0.000 1.246 11 Y CA -0.838 57.280 58.100 0.030 0.000 1.268 11 Y CB 0.458 38.957 38.460 0.065 0.000 1.276 11 Y HN 0.432 nan 8.280 nan 0.000 0.499 12 D N 0.018 120.565 120.400 0.245 0.000 2.087 12 D HA -0.176 4.463 4.640 -0.001 0.000 0.192 12 D C -0.333 175.871 176.300 -0.159 0.000 0.993 12 D CA 2.033 56.093 54.000 0.099 0.000 0.828 12 D CB -0.079 40.922 40.800 0.336 0.000 0.968 12 D HN 0.403 nan 8.370 nan 0.000 0.448 13 Y N -0.201 120.159 120.300 0.099 0.000 2.598 13 Y HA 0.203 4.753 4.550 -0.001 0.000 0.340 13 Y C 1.153 177.048 175.900 -0.008 0.000 1.038 13 Y CA -0.895 57.218 58.100 0.021 0.000 1.100 13 Y CB 1.367 39.804 38.460 -0.037 0.000 1.281 13 Y HN -0.273 nan 8.280 nan 0.000 0.488 14 D N 0.275 120.743 120.400 0.113 0.000 2.213 14 D HA 0.039 4.679 4.640 -0.001 0.000 0.205 14 D C -0.629 175.676 176.300 0.008 0.000 0.961 14 D CA 1.178 55.208 54.000 0.050 0.000 0.853 14 D CB 0.632 41.430 40.800 -0.005 0.000 0.967 14 D HN 0.295 nan 8.370 nan 0.000 0.496 15 L N 0.728 121.943 121.223 -0.013 0.000 2.513 15 L HA 0.334 4.673 4.340 -0.001 0.000 0.261 15 L C -1.835 174.954 176.870 -0.135 0.000 0.945 15 L CA -0.492 54.307 54.840 -0.068 0.000 0.848 15 L CB 2.430 44.503 42.059 0.024 0.000 1.334 15 L HN -0.287 nan 8.230 nan 0.000 0.407 16 I N 5.673 126.084 120.570 -0.266 0.000 2.433 16 I HA 0.440 4.609 4.170 -0.001 0.000 0.292 16 I C -0.536 175.591 176.117 0.016 0.000 1.001 16 I CA -0.459 60.726 61.300 -0.191 0.000 1.119 16 I CB 1.900 39.750 38.000 -0.249 0.000 1.289 16 I HN 0.546 nan 8.210 nan 0.000 0.438 17 I N 6.565 127.139 120.570 0.007 0.000 2.355 17 I HA 0.396 4.565 4.170 -0.001 0.000 0.288 17 I C -0.090 176.046 176.117 0.031 0.000 0.999 17 I CA -0.505 60.826 61.300 0.051 0.000 1.163 17 I CB 1.588 39.604 38.000 0.025 0.000 1.316 17 I HN 0.316 nan 8.210 nan 0.000 0.454 18 I N 6.059 126.655 120.570 0.042 0.000 2.301 18 I HA 0.509 4.679 4.170 -0.001 0.000 0.292 18 I C 0.586 176.681 176.117 -0.036 0.000 1.046 18 I CA -0.079 61.203 61.300 -0.030 0.000 1.282 18 I CB 0.891 38.825 38.000 -0.109 0.000 1.409 18 I HN 0.864 nan 8.210 nan 0.000 0.484 19 G N 3.753 112.533 108.800 -0.033 0.000 3.448 19 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.685 19 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.685 19 G C -0.040 174.855 174.900 -0.008 0.000 1.151 19 G CA -0.587 44.498 45.100 -0.025 0.000 1.023 19 G HN 0.975 nan 8.290 nan 0.000 0.499 20 G N 0.936 109.737 108.800 0.001 0.000 3.717 20 G HA2 0.668 4.627 3.960 -0.001 0.000 0.258 20 G HA3 0.668 4.627 3.960 -0.001 0.000 0.258 20 G C 0.806 175.649 174.900 -0.095 0.000 1.088 20 G CA 0.836 45.912 45.100 -0.041 0.000 1.737 20 G HN 1.225 nan 8.290 nan 0.000 0.648 21 G N -0.004 108.752 108.800 -0.074 0.000 2.795 21 G HA2 0.438 4.398 3.960 -0.001 0.000 0.267 21 G HA3 0.438 4.398 3.960 -0.001 0.000 0.267 21 G C 1.100 175.936 174.900 -0.106 0.000 1.362 21 G CA 0.172 45.216 45.100 -0.093 0.000 1.048 21 G HN 0.232 nan 8.290 nan 0.000 0.547 22 S N -0.118 115.530 115.700 -0.087 0.000 2.444 22 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 22 S C 2.504 177.093 174.600 -0.017 0.000 1.042 22 S CA 1.827 59.992 58.200 -0.058 0.000 1.132 22 S CB -0.985 62.197 63.200 -0.031 0.000 1.099 22 S HN 0.878 nan 8.310 nan 0.000 0.417 23 G N 0.769 109.571 108.800 0.004 0.000 2.498 23 G HA2 0.069 4.029 3.960 -0.001 0.000 0.219 23 G HA3 0.069 4.029 3.960 -0.001 0.000 0.219 23 G C 1.198 176.109 174.900 0.019 0.000 1.119 23 G CA 0.982 46.094 45.100 0.021 0.000 0.766 23 G HN 0.565 nan 8.290 nan 0.000 0.552 24 G N 1.402 110.203 108.800 0.002 0.000 2.637 24 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.215 24 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.215 24 G C 1.660 176.561 174.900 0.002 0.000 1.289 24 G CA 0.721 45.822 45.100 0.002 0.000 0.816 24 G HN 0.372 nan 8.290 nan 0.000 0.580 25 L N 1.219 122.429 121.223 -0.021 0.000 2.263 25 L HA -0.139 4.200 4.340 -0.001 0.000 0.216 25 L C 3.279 180.170 176.870 0.035 0.000 1.111 25 L CA 0.865 55.705 54.840 0.000 0.000 0.773 25 L CB -0.487 41.568 42.059 -0.008 0.000 0.906 25 L HN 0.346 nan 8.230 nan 0.000 0.439 26 A N 0.286 123.127 122.820 0.035 0.000 1.841 26 A HA -0.087 4.233 4.320 -0.001 0.000 0.214 26 A C 2.592 180.200 177.584 0.040 0.000 1.195 26 A CA 1.553 53.615 52.037 0.041 0.000 0.611 26 A CB -0.780 18.240 19.000 0.034 0.000 0.835 26 A HN 0.354 nan 8.150 nan 0.000 0.443 27 A N -0.166 122.679 122.820 0.040 0.000 1.933 27 A HA 0.179 4.498 4.320 -0.001 0.000 0.218 27 A C 2.450 180.066 177.584 0.054 0.000 1.175 27 A CA 2.078 54.147 52.037 0.053 0.000 0.628 27 A CB -1.074 17.957 19.000 0.051 0.000 0.814 27 A HN 1.045 nan 8.150 nan 0.000 0.444 28 A N 0.373 123.214 122.820 0.035 0.000 1.837 28 A HA -0.256 4.064 4.320 -0.001 0.000 0.216 28 A C 2.073 179.669 177.584 0.021 0.000 1.210 28 A CA 2.071 54.120 52.037 0.020 0.000 0.632 28 A CB -0.779 18.224 19.000 0.006 0.000 0.843 28 A HN 0.519 nan 8.150 nan 0.000 0.448 29 K N -0.944 119.466 120.400 0.016 0.000 2.089 29 K HA -0.263 4.057 4.320 -0.001 0.000 0.210 29 K C 2.096 178.713 176.600 0.028 0.000 1.048 29 K CA 1.913 58.204 56.287 0.007 0.000 0.926 29 K CB -0.192 32.306 32.500 -0.002 0.000 0.714 29 K HN 0.562 nan 8.250 nan 0.000 0.448 30 E N 0.590 120.829 120.200 0.064 0.000 2.150 30 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 30 E C 1.695 178.432 176.600 0.228 0.000 0.985 30 E CA 1.291 57.771 56.400 0.134 0.000 0.814 30 E CB -0.030 29.751 29.700 0.135 0.000 0.752 30 E HN 0.328 nan 8.360 nan 0.000 0.466 31 A N 0.481 123.389 122.820 0.147 0.000 1.898 31 A HA 0.161 4.480 4.320 -0.001 0.000 0.214 31 A C 2.391 179.991 177.584 0.026 0.000 1.183 31 A CA 1.361 53.458 52.037 0.100 0.000 0.622 31 A CB -0.829 18.168 19.000 -0.006 0.000 0.824 31 A HN 0.337 nan 8.150 nan 0.000 0.444 32 A N -1.015 121.803 122.820 -0.002 0.000 2.024 32 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 32 A C 2.017 179.575 177.584 -0.042 0.000 1.164 32 A CA 1.953 53.973 52.037 -0.029 0.000 0.643 32 A CB -0.445 18.540 19.000 -0.025 0.000 0.806 32 A HN 0.480 nan 8.150 nan 0.000 0.451 33 Q N -1.572 118.198 119.800 -0.049 0.000 2.364 33 Q HA -0.084 4.255 4.340 -0.001 0.000 0.209 33 Q C 0.274 176.056 176.000 -0.363 0.000 0.977 33 Q CA 1.198 56.884 55.803 -0.194 0.000 0.885 33 Q CB -0.385 28.211 28.738 -0.238 0.000 0.941 33 Q HN 0.823 nan 8.270 nan 0.000 0.464 34 Y N -1.226 119.047 120.300 -0.046 0.000 2.683 34 Y HA 0.341 4.890 4.550 -0.001 0.000 0.297 34 Y C 1.059 176.922 175.900 -0.062 0.000 1.147 34 Y CA -0.018 58.060 58.100 -0.036 0.000 1.274 34 Y CB 0.483 38.941 38.460 -0.003 0.000 1.143 34 Y HN 0.068 nan 8.280 nan 0.000 0.527 35 G N 1.004 109.798 108.800 -0.010 0.000 2.314 35 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.292 35 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.292 35 G C -0.032 174.846 174.900 -0.037 0.000 1.059 35 G CA -0.130 44.958 45.100 -0.020 0.000 0.982 35 G HN 0.118 nan 8.290 nan 0.000 0.505 36 K N -0.477 119.876 120.400 -0.079 0.000 2.238 36 K HA 0.479 4.798 4.320 -0.001 0.000 0.239 36 K C 0.322 176.880 176.600 -0.070 0.000 0.987 36 K CA -0.857 55.354 56.287 -0.127 0.000 0.857 36 K CB 1.486 33.788 32.500 -0.331 0.000 1.154 36 K HN 0.224 nan 8.250 nan 0.000 0.439 37 K N 1.488 121.863 120.400 -0.043 0.000 2.262 37 K HA 0.294 4.613 4.320 -0.001 0.000 0.282 37 K C -0.352 176.314 176.600 0.109 0.000 1.066 37 K CA -0.476 55.827 56.287 0.026 0.000 0.901 37 K CB 0.816 33.299 32.500 -0.029 0.000 1.089 37 K HN 0.302 nan 8.250 nan 0.000 0.476 38 V N 0.773 120.772 119.914 0.142 0.000 2.823 38 V HA 0.606 4.726 4.120 -0.001 0.000 0.312 38 V C -0.515 175.598 176.094 0.031 0.000 1.072 38 V CA -1.093 61.259 62.300 0.086 0.000 0.937 38 V CB 2.023 33.846 31.823 0.001 0.000 1.013 38 V HN 0.767 nan 8.190 nan 0.000 0.430 39 M N 3.392 122.892 119.600 -0.166 0.000 2.224 39 M HA 0.631 5.111 4.480 -0.001 0.000 0.281 39 M C -2.182 173.975 176.300 -0.238 0.000 1.025 39 M CA -0.377 54.700 55.300 -0.373 0.000 0.954 39 M CB 2.127 34.087 32.600 -1.068 0.000 1.639 39 M HN 0.636 nan 8.290 nan 0.000 0.461 40 V N 5.860 125.704 119.914 -0.117 0.000 2.472 40 V HA 0.550 4.669 4.120 -0.001 0.000 0.290 40 V C -0.514 175.575 176.094 -0.009 0.000 1.037 40 V CA -0.551 61.732 62.300 -0.028 0.000 0.908 40 V CB 1.998 33.845 31.823 0.039 0.000 0.985 40 V HN 0.783 nan 8.190 nan 0.000 0.454 41 L N 4.215 125.427 121.223 -0.018 0.000 2.349 41 L HA 0.592 4.931 4.340 -0.001 0.000 0.278 41 L C -1.167 175.727 176.870 0.040 0.000 0.996 41 L CA -0.282 54.543 54.840 -0.025 0.000 0.825 41 L CB 1.853 43.863 42.059 -0.082 0.000 1.243 41 L HN 0.669 nan 8.230 nan 0.000 0.412 42 D N 2.851 123.333 120.400 0.137 0.000 2.788 42 D HA 0.508 5.147 4.640 -0.001 0.000 0.247 42 D C -1.624 174.802 176.300 0.210 0.000 1.236 42 D CA -0.180 53.910 54.000 0.150 0.000 0.898 42 D CB 1.641 42.556 40.800 0.191 0.000 1.401 42 D HN 0.175 nan 8.370 nan 0.000 0.549 43 F N 4.018 123.923 119.950 -0.074 0.000 2.578 43 F HA 0.645 5.172 4.527 -0.001 0.000 0.311 43 F C -1.848 173.887 175.800 -0.108 0.000 1.094 43 F CA -0.907 57.049 58.000 -0.073 0.000 0.923 43 F CB 1.818 40.776 39.000 -0.069 0.000 1.230 43 F HN 0.138 nan 8.300 nan 0.000 0.450 44 V N 4.344 123.751 119.914 -0.845 0.000 2.326 44 V HA 0.259 4.379 4.120 -0.001 0.000 0.281 44 V C -0.198 175.279 176.094 -1.028 0.000 1.015 44 V CA -0.523 61.285 62.300 -0.820 0.000 0.823 44 V CB 1.396 32.740 31.823 -0.797 0.000 1.009 44 V HN 0.898 nan 8.190 nan 0.000 0.436 45 T N 4.904 119.019 114.554 -0.732 0.000 2.817 45 T HA 0.313 4.662 4.350 -0.001 0.000 0.295 45 T C -1.985 172.482 174.700 -0.389 0.000 0.958 45 T CA -0.977 60.847 62.100 -0.460 0.000 1.157 45 T CB 0.712 69.514 68.868 -0.109 0.000 0.898 45 T HN 0.391 nan 8.240 nan 0.000 0.536 46 P HA 0.121 nan 4.420 nan 0.000 0.270 46 P C 0.268 177.485 177.300 -0.138 0.000 1.221 46 P CA -0.202 62.747 63.100 -0.252 0.000 0.788 46 P CB 0.234 31.847 31.700 -0.145 0.000 0.904 47 T N -1.655 112.853 114.554 -0.077 0.000 2.922 47 T HA 0.292 4.641 4.350 -0.001 0.000 0.285 47 T C -1.933 172.791 174.700 0.040 0.000 1.005 47 T CA -1.923 60.200 62.100 0.038 0.000 1.061 47 T CB 0.658 69.601 68.868 0.125 0.000 1.007 47 T HN 0.142 nan 8.240 nan 0.000 0.502 48 P HA -0.118 nan 4.420 nan 0.000 0.219 48 P C 1.392 178.701 177.300 0.016 0.000 1.153 48 P CA 1.085 64.192 63.100 0.012 0.000 0.865 48 P CB -0.005 31.682 31.700 -0.022 0.000 0.788 49 L N -3.141 118.115 121.223 0.055 0.000 2.552 49 L HA 0.117 4.456 4.340 -0.001 0.000 0.227 49 L C 1.049 177.944 176.870 0.042 0.000 1.146 49 L CA 0.961 55.832 54.840 0.052 0.000 0.858 49 L CB -0.987 41.121 42.059 0.082 0.000 0.969 49 L HN 0.198 nan 8.230 nan 0.000 0.451 50 G N 0.889 109.707 108.800 0.030 0.000 2.325 50 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.248 50 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.248 50 G C 0.034 174.942 174.900 0.014 0.000 1.108 50 G CA 0.003 45.109 45.100 0.011 0.000 0.881 50 G HN 0.222 nan 8.290 nan 0.000 0.494 51 T N -0.282 114.286 114.554 0.024 0.000 2.867 51 T HA 0.710 5.059 4.350 -0.001 0.000 0.282 51 T C 0.379 175.031 174.700 -0.080 0.000 1.000 51 T CA -0.225 61.910 62.100 0.060 0.000 1.042 51 T CB 1.882 70.865 68.868 0.191 0.000 0.973 51 T HN 0.749 nan 8.240 nan 0.000 0.465 52 R N 1.371 121.840 120.500 -0.052 0.000 2.854 52 R HA 0.738 5.077 4.340 -0.001 0.000 0.271 52 R C -1.844 174.484 176.300 0.047 0.000 0.994 52 R CA -0.815 55.137 56.100 -0.247 0.000 0.945 52 R CB 1.544 31.746 30.300 -0.163 0.000 1.194 52 R HN 0.772 nan 8.270 nan 0.000 0.476 53 W N 0.683 121.985 121.300 0.002 0.000 3.018 53 W HA 0.757 5.417 4.660 -0.001 0.000 0.352 53 W C -0.649 175.881 176.519 0.018 0.000 1.230 53 W CA -1.042 56.313 57.345 0.017 0.000 1.162 53 W CB 0.167 29.637 29.460 0.018 0.000 1.483 53 W HN 0.724 nan 8.180 nan 0.000 0.584 54 G N 0.382 109.389 108.800 0.346 0.000 2.509 54 G HA2 0.460 4.419 3.960 -0.001 0.000 0.269 54 G HA3 0.460 4.419 3.960 -0.001 0.000 0.269 54 G C -1.011 174.009 174.900 0.199 0.000 1.416 54 G CA -0.946 44.288 45.100 0.223 0.000 1.052 54 G HN 0.783 nan 8.290 nan 0.000 0.542 55 L N -0.030 121.255 121.223 0.103 0.000 2.461 55 L HA 0.517 4.857 4.340 -0.001 0.000 0.272 55 L C 1.245 178.043 176.870 -0.119 0.000 1.197 55 L CA 1.818 56.644 54.840 -0.023 0.000 0.836 55 L CB 0.891 42.824 42.059 -0.210 0.000 1.105 55 L HN 1.172 nan 8.230 nan 0.000 0.477 56 G N 1.396 110.044 108.800 -0.253 0.000 3.514 56 G HA2 0.381 4.341 3.960 -0.001 0.000 0.197 56 G HA3 0.381 4.341 3.960 -0.001 0.000 0.197 56 G C 0.616 175.304 174.900 -0.353 0.000 1.098 56 G CA 0.184 44.980 45.100 -0.508 0.000 0.884 56 G HN 1.941 nan 8.290 nan 0.000 0.433 57 G N -1.302 107.418 108.800 -0.132 0.000 2.498 57 G HA2 0.312 4.271 3.960 -0.001 0.000 0.651 57 G HA3 0.312 4.271 3.960 -0.001 0.000 0.651 57 G C 0.722 175.567 174.900 -0.092 0.000 1.284 57 G CA 0.641 45.699 45.100 -0.071 0.000 0.950 57 G HN 1.223 nan 8.290 nan 0.000 0.511 58 T N -0.457 114.061 114.554 -0.059 0.000 2.595 58 T HA -0.240 4.110 4.350 -0.001 0.000 0.264 58 T C 2.487 177.091 174.700 -0.161 0.000 1.058 58 T CA 2.545 64.582 62.100 -0.105 0.000 1.166 58 T CB -0.939 67.918 68.868 -0.018 0.000 0.863 58 T HN 1.178 nan 8.240 nan 0.000 0.415 59 c N 1.325 119.858 118.600 -0.111 0.000 2.318 59 c HA -0.178 4.392 4.570 -0.001 0.000 0.272 59 c C 2.890 176.876 174.090 -0.173 0.000 1.156 59 c CA 1.531 57.788 56.329 -0.120 0.000 1.783 59 c CB -1.340 41.118 42.510 -0.088 0.000 2.023 59 c HN 0.492 nan 8.230 nan 0.000 0.437 60 V N 1.413 121.224 119.914 -0.173 0.000 2.407 60 V HA -0.199 3.920 4.120 -0.001 0.000 0.248 60 V C 1.972 177.938 176.094 -0.214 0.000 1.055 60 V CA 2.493 64.695 62.300 -0.164 0.000 1.049 60 V CB -0.727 30.998 31.823 -0.164 0.000 0.662 60 V HN 0.622 nan 8.190 nan 0.000 0.455 61 N N -0.841 117.676 118.700 -0.305 0.000 2.368 61 N HA 0.109 4.848 4.740 -0.001 0.000 0.178 61 N C 0.990 176.205 175.510 -0.491 0.000 1.076 61 N CA 0.991 53.786 53.050 -0.426 0.000 0.889 61 N CB 1.830 39.925 38.487 -0.652 0.000 1.040 61 N HN 0.427 nan 8.380 nan 0.000 0.463 62 V N -0.054 119.605 119.914 -0.425 0.000 3.503 62 V HA 0.437 4.556 4.120 -0.001 0.000 0.426 62 V C 0.031 176.156 176.094 0.051 0.000 1.555 62 V CA -0.074 62.177 62.300 -0.081 0.000 1.586 62 V CB 0.234 31.781 31.823 -0.460 0.000 1.152 62 V HN 0.236 nan 8.190 nan 0.000 0.571 63 G N -0.559 108.103 108.800 -0.230 0.000 3.366 63 G HA2 0.215 4.174 3.960 -0.001 0.000 0.179 63 G HA3 0.215 4.174 3.960 -0.001 0.000 0.179 63 G C 1.144 175.876 174.900 -0.280 0.000 1.143 63 G CA 0.740 45.756 45.100 -0.141 0.000 0.810 63 G HN 0.305 nan 8.290 nan 0.000 0.697 64 c N 0.487 118.982 118.600 -0.175 0.000 2.336 64 c HA -0.137 4.432 4.570 -0.001 0.000 0.275 64 c C 2.743 176.651 174.090 -0.302 0.000 1.175 64 c CA 1.043 57.249 56.329 -0.206 0.000 1.771 64 c CB -1.464 40.962 42.510 -0.140 0.000 2.030 64 c HN 0.453 nan 8.230 nan 0.000 0.442 65 I N 2.817 123.227 120.570 -0.266 0.000 2.052 65 I HA -0.151 4.018 4.170 -0.001 0.000 0.235 65 I C 0.138 176.023 176.117 -0.386 0.000 1.046 65 I CA 2.029 63.175 61.300 -0.256 0.000 1.308 65 I CB -2.126 35.786 38.000 -0.146 0.000 1.031 65 I HN 0.228 nan 8.210 nan 0.000 0.395 66 P HA -0.268 nan 4.420 nan 0.000 0.216 66 P C 1.687 178.457 177.300 -0.883 0.000 1.157 66 P CA 1.863 64.499 63.100 -0.773 0.000 0.880 66 P CB -0.173 30.814 31.700 -1.189 0.000 0.791 67 K N 0.845 120.680 120.400 -0.941 0.000 2.001 67 K HA -0.215 4.104 4.320 -0.001 0.000 0.214 67 K C 2.212 178.512 176.600 -0.500 0.000 1.050 67 K CA 2.090 58.043 56.287 -0.556 0.000 0.934 67 K CB -0.764 31.599 32.500 -0.229 0.000 0.718 67 K HN -0.133 nan 8.250 nan 0.000 0.443 68 K N 1.010 121.131 120.400 -0.465 0.000 2.020 68 K HA -0.118 4.202 4.320 -0.001 0.000 0.212 68 K C 2.333 178.749 176.600 -0.306 0.000 1.050 68 K CA 1.656 57.680 56.287 -0.438 0.000 0.929 68 K CB -0.661 31.539 32.500 -0.501 0.000 0.714 68 K HN 0.221 nan 8.250 nan 0.000 0.443 69 L N 0.178 121.199 121.223 -0.336 0.000 2.129 69 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 69 L C 2.466 179.156 176.870 -0.300 0.000 1.087 69 L CA 1.427 56.095 54.840 -0.288 0.000 0.757 69 L CB -0.352 41.540 42.059 -0.278 0.000 0.896 69 L HN 0.308 nan 8.230 nan 0.000 0.434 70 M N -1.773 117.558 119.600 -0.449 0.000 2.156 70 M HA -0.188 4.291 4.480 -0.001 0.000 0.264 70 M C 2.410 178.503 176.300 -0.345 0.000 1.067 70 M CA 1.478 56.464 55.300 -0.523 0.000 1.131 70 M CB -1.039 30.833 32.600 -1.214 0.000 1.368 70 M HN 0.289 nan 8.290 nan 0.000 0.416 71 H N 0.956 119.753 119.070 -0.455 0.000 2.353 71 H HA -0.243 4.312 4.556 -0.001 0.000 0.298 71 H C 2.038 177.323 175.328 -0.071 0.000 1.103 71 H CA 2.581 58.551 56.048 -0.129 0.000 1.293 71 H CB -0.219 29.486 29.762 -0.095 0.000 1.372 71 H HN 0.326 nan 8.280 nan 0.000 0.501 72 Q N 0.409 120.094 119.800 -0.192 0.000 2.061 72 Q HA -0.088 4.252 4.340 -0.001 0.000 0.204 72 Q C 2.437 178.323 176.000 -0.190 0.000 0.984 72 Q CA 2.127 57.799 55.803 -0.218 0.000 0.846 72 Q CB -0.832 27.805 28.738 -0.169 0.000 0.902 72 Q HN 0.554 nan 8.270 nan 0.000 0.421 73 A N 0.303 123.023 122.820 -0.166 0.000 1.978 73 A HA -0.062 4.257 4.320 -0.001 0.000 0.220 73 A C 2.294 179.781 177.584 -0.162 0.000 1.170 73 A CA 1.865 53.802 52.037 -0.166 0.000 0.636 73 A CB -1.154 17.755 19.000 -0.151 0.000 0.810 73 A HN 0.564 nan 8.150 nan 0.000 0.448 74 A N -0.345 122.422 122.820 -0.089 0.000 1.902 74 A HA -0.006 4.313 4.320 -0.001 0.000 0.217 74 A C 2.166 179.697 177.584 -0.089 0.000 1.181 74 A CA 1.477 53.498 52.037 -0.026 0.000 0.623 74 A CB -0.508 18.558 19.000 0.110 0.000 0.818 74 A HN 0.474 nan 8.150 nan 0.000 0.443 75 L N -0.772 120.351 121.223 -0.166 0.000 2.044 75 L HA -0.094 4.246 4.340 -0.001 0.000 0.205 75 L C 2.374 179.174 176.870 -0.115 0.000 1.075 75 L CA 0.863 55.612 54.840 -0.152 0.000 0.747 75 L CB -0.525 41.406 42.059 -0.213 0.000 0.903 75 L HN 0.321 nan 8.230 nan 0.000 0.435 76 L N -0.199 120.946 121.223 -0.130 0.000 2.349 76 L HA -0.167 4.172 4.340 -0.001 0.000 0.220 76 L C 2.454 179.260 176.870 -0.108 0.000 1.130 76 L CA 0.927 55.696 54.840 -0.118 0.000 0.791 76 L CB -1.022 40.959 42.059 -0.129 0.000 0.918 76 L HN 0.350 nan 8.230 nan 0.000 0.444 77 G N -0.790 107.944 108.800 -0.110 0.000 2.454 77 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.214 77 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.214 77 G C 1.372 176.234 174.900 -0.063 0.000 1.217 77 G CA 0.592 45.639 45.100 -0.089 0.000 0.799 77 G HN 0.243 nan 8.290 nan 0.000 0.538 78 Q N 0.943 120.704 119.800 -0.064 0.000 2.047 78 Q HA -0.154 4.185 4.340 -0.001 0.000 0.211 78 Q C 2.697 178.676 176.000 -0.035 0.000 1.005 78 Q CA 2.698 58.466 55.803 -0.058 0.000 0.866 78 Q CB -1.000 27.693 28.738 -0.076 0.000 0.938 78 Q HN 0.398 nan 8.270 nan 0.000 0.414 79 A N 0.186 122.980 122.820 -0.044 0.000 1.940 79 A HA -0.238 4.082 4.320 -0.001 0.000 0.221 79 A C 2.197 179.752 177.584 -0.048 0.000 1.190 79 A CA 1.882 53.890 52.037 -0.048 0.000 0.647 79 A CB -1.008 17.945 19.000 -0.080 0.000 0.821 79 A HN 0.506 nan 8.150 nan 0.000 0.457 80 L N -1.245 119.945 121.223 -0.053 0.000 2.046 80 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 80 L C 2.930 179.807 176.870 0.011 0.000 1.077 80 L CA 1.710 56.526 54.840 -0.039 0.000 0.747 80 L CB -0.669 41.367 42.059 -0.039 0.000 0.896 80 L HN 0.536 nan 8.230 nan 0.000 0.432 81 Q N -0.376 119.433 119.800 0.014 0.000 2.167 81 Q HA -0.193 4.147 4.340 -0.001 0.000 0.202 81 Q C 1.678 177.729 176.000 0.085 0.000 0.970 81 Q CA 1.293 57.121 55.803 0.041 0.000 0.855 81 Q CB 0.044 28.791 28.738 0.016 0.000 0.911 81 Q HN 0.514 nan 8.270 nan 0.000 0.438 82 D N -0.202 120.253 120.400 0.091 0.000 2.137 82 D HA -0.113 4.527 4.640 -0.001 0.000 0.202 82 D C 1.995 178.452 176.300 0.262 0.000 0.970 82 D CA 1.318 55.425 54.000 0.179 0.000 0.837 82 D CB -0.330 40.567 40.800 0.161 0.000 0.981 82 D HN 0.158 nan 8.370 nan 0.000 0.475 83 S N 1.075 116.883 115.700 0.181 0.000 2.400 83 S HA -0.289 4.180 4.470 -0.001 0.000 0.234 83 S C 1.963 176.827 174.600 0.440 0.000 1.049 83 S CA 0.995 59.378 58.200 0.305 0.000 1.039 83 S CB -0.151 63.120 63.200 0.118 0.000 0.856 83 S HN 0.045 nan 8.310 nan 0.000 0.465 84 R N 2.141 122.812 120.500 0.285 0.000 2.115 84 R HA -0.095 4.244 4.340 -0.001 0.000 0.239 84 R C 2.032 178.447 176.300 0.191 0.000 1.133 84 R CA 2.208 58.438 56.100 0.217 0.000 0.935 84 R CB -1.892 28.493 30.300 0.141 0.000 0.853 84 R HN 0.699 nan 8.270 nan 0.000 0.433 85 N N -0.357 118.457 118.700 0.190 0.000 2.309 85 N HA -0.131 4.608 4.740 -0.001 0.000 0.182 85 N C 1.344 176.888 175.510 0.057 0.000 1.018 85 N CA 0.751 53.858 53.050 0.094 0.000 0.876 85 N CB -0.293 38.226 38.487 0.054 0.000 0.972 85 N HN 0.297 nan 8.380 nan 0.000 0.434 86 Y N -0.329 120.032 120.300 0.101 0.000 2.578 86 Y HA 0.132 4.681 4.550 -0.001 0.000 0.297 86 Y C 1.751 177.611 175.900 -0.067 0.000 1.176 86 Y CA 0.432 58.574 58.100 0.071 0.000 1.315 86 Y CB 0.115 38.684 38.460 0.181 0.000 1.031 86 Y HN 0.188 nan 8.280 nan 0.000 0.524 87 G N -1.899 106.919 108.800 0.029 0.000 2.253 87 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.209 87 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.209 87 G C -0.110 174.634 174.900 -0.260 0.000 0.997 87 G CA -0.559 44.446 45.100 -0.158 0.000 0.640 87 G HN 0.249 nan 8.290 nan 0.000 0.496 88 W N 2.512 123.861 121.300 0.083 0.000 2.251 88 W HA 0.529 5.189 4.660 -0.001 0.000 0.327 88 W C 0.913 177.460 176.519 0.046 0.000 1.361 88 W CA -0.172 57.207 57.345 0.056 0.000 1.234 88 W CB 0.593 30.084 29.460 0.052 0.000 1.212 88 W HN -0.113 nan 8.180 nan 0.000 0.557 89 K N 3.879 124.428 120.400 0.248 0.000 2.184 89 K HA 0.290 4.610 4.320 -0.001 0.000 0.259 89 K C -0.433 176.271 176.600 0.173 0.000 1.119 89 K CA -0.222 56.160 56.287 0.159 0.000 0.991 89 K CB 0.187 32.745 32.500 0.098 0.000 1.522 89 K HN 0.234 nan 8.250 nan 0.000 0.405 90 V N 1.451 121.461 119.914 0.160 0.000 3.166 90 V HA 0.233 4.353 4.120 -0.001 0.000 0.317 90 V C 0.231 176.374 176.094 0.083 0.000 1.136 90 V CA -1.176 61.194 62.300 0.116 0.000 1.035 90 V CB 1.893 33.781 31.823 0.109 0.000 1.110 90 V HN 0.562 nan 8.190 nan 0.000 0.450 91 E N 0.167 120.405 120.200 0.062 0.000 2.392 91 E HA 0.133 4.483 4.350 -0.001 0.000 0.259 91 E C 0.751 177.380 176.600 0.049 0.000 1.108 91 E CA -0.000 56.430 56.400 0.051 0.000 0.916 91 E CB 0.793 30.519 29.700 0.043 0.000 0.989 91 E HN 0.769 nan 8.360 nan 0.000 0.432 92 E N 0.893 121.119 120.200 0.043 0.000 2.110 92 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 92 E C -0.030 176.592 176.600 0.036 0.000 0.988 92 E CA 1.247 57.671 56.400 0.039 0.000 0.804 92 E CB 0.298 30.018 29.700 0.034 0.000 0.745 92 E HN 0.304 nan 8.360 nan 0.000 0.458 93 T N -0.010 114.566 114.554 0.035 0.000 3.071 93 T HA 0.474 4.824 4.350 -0.001 0.000 0.311 93 T C -1.502 173.221 174.700 0.038 0.000 1.042 93 T CA -0.797 61.324 62.100 0.035 0.000 1.028 93 T CB 1.275 70.163 68.868 0.034 0.000 1.068 93 T HN -0.037 nan 8.240 nan 0.000 0.451 94 V N 4.615 124.552 119.914 0.038 0.000 2.732 94 V HA 0.656 4.775 4.120 -0.001 0.000 0.310 94 V C 0.200 176.332 176.094 0.064 0.000 1.053 94 V CA -1.019 61.307 62.300 0.044 0.000 0.957 94 V CB 1.887 33.729 31.823 0.032 0.000 1.018 94 V HN 0.610 nan 8.190 nan 0.000 0.452 95 K N 1.983 122.429 120.400 0.077 0.000 2.110 95 K HA 0.370 4.690 4.320 -0.001 0.000 0.263 95 K C -0.901 175.800 176.600 0.169 0.000 0.975 95 K CA -0.452 55.900 56.287 0.107 0.000 0.895 95 K CB 1.046 33.595 32.500 0.082 0.000 1.060 95 K HN 0.950 nan 8.250 nan 0.000 0.448 96 H N 2.378 121.490 119.070 0.071 0.000 2.511 96 H HA 0.127 4.683 4.556 -0.001 0.000 0.328 96 H C -1.094 174.306 175.328 0.121 0.000 1.044 96 H CA -0.576 55.524 56.048 0.086 0.000 1.212 96 H CB 1.307 31.131 29.762 0.104 0.000 1.428 96 H HN 0.501 nan 8.280 nan 0.000 0.483 97 D N 6.150 126.497 120.400 -0.089 0.000 2.468 97 D HA -0.082 4.558 4.640 -0.001 0.000 0.218 97 D C 1.079 177.239 176.300 -0.233 0.000 1.155 97 D CA -0.536 53.407 54.000 -0.095 0.000 0.924 97 D CB -0.126 40.675 40.800 0.003 0.000 1.029 97 D HN 0.630 nan 8.370 nan 0.000 0.515 98 W N 4.180 125.244 121.300 -0.393 0.000 2.315 98 W HA -0.257 4.403 4.660 -0.001 0.000 0.323 98 W C 0.612 177.061 176.519 -0.116 0.000 1.233 98 W CA 1.763 58.934 57.345 -0.291 0.000 1.267 98 W CB -0.415 28.971 29.460 -0.123 0.000 1.160 98 W HN 0.356 nan 8.180 nan 0.000 0.474 99 D N -0.380 120.208 120.400 0.314 0.000 2.220 99 D HA -0.245 4.395 4.640 -0.001 0.000 0.198 99 D C 2.304 178.624 176.300 0.032 0.000 1.001 99 D CA 2.011 56.132 54.000 0.203 0.000 0.875 99 D CB -0.476 40.425 40.800 0.169 0.000 0.921 99 D HN 0.193 nan 8.370 nan 0.000 0.454 100 R N -0.557 119.934 120.500 -0.014 0.000 2.200 100 R HA 0.068 4.407 4.340 -0.001 0.000 0.208 100 R C 2.094 178.353 176.300 -0.069 0.000 1.033 100 R CA 0.385 56.468 56.100 -0.028 0.000 1.000 100 R CB -0.016 30.280 30.300 -0.007 0.000 0.906 100 R HN 0.252 nan 8.270 nan 0.000 0.462 101 M N 0.243 119.756 119.600 -0.145 0.000 2.081 101 M HA -0.139 4.340 4.480 -0.001 0.000 0.261 101 M C 1.625 177.793 176.300 -0.220 0.000 1.075 101 M CA 1.537 56.741 55.300 -0.160 0.000 1.133 101 M CB -0.110 32.380 32.600 -0.183 0.000 1.330 101 M HN 0.032 nan 8.290 nan 0.000 0.414 102 I N 1.403 121.750 120.570 -0.372 0.000 2.091 102 I HA -0.369 3.800 4.170 -0.001 0.000 0.240 102 I C 2.415 178.474 176.117 -0.097 0.000 1.046 102 I CA 2.015 63.157 61.300 -0.264 0.000 1.306 102 I CB -1.596 36.272 38.000 -0.221 0.000 1.018 102 I HN 0.517 nan 8.210 nan 0.000 0.404 103 E N 0.369 120.535 120.200 -0.057 0.000 2.068 103 E HA -0.299 4.050 4.350 -0.001 0.000 0.207 103 E C 2.185 178.776 176.600 -0.016 0.000 1.032 103 E CA 1.988 58.380 56.400 -0.013 0.000 0.839 103 E CB -0.186 29.513 29.700 -0.003 0.000 0.758 103 E HN 0.568 nan 8.360 nan 0.000 0.457 104 A N 0.981 123.781 122.820 -0.034 0.000 1.865 104 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 104 A C 2.577 180.151 177.584 -0.016 0.000 1.191 104 A CA 2.006 54.027 52.037 -0.026 0.000 0.623 104 A CB -0.988 17.984 19.000 -0.046 0.000 0.826 104 A HN 0.149 nan 8.150 nan 0.000 0.444 105 V N 0.125 120.007 119.914 -0.052 0.000 2.220 105 V HA -0.386 3.733 4.120 -0.001 0.000 0.250 105 V C 2.695 178.794 176.094 0.008 0.000 1.056 105 V CA 2.326 64.596 62.300 -0.050 0.000 1.016 105 V CB -1.222 30.546 31.823 -0.092 0.000 0.639 105 V HN 0.586 nan 8.190 nan 0.000 0.446 106 Q N 0.056 119.860 119.800 0.006 0.000 2.112 106 Q HA -0.269 4.071 4.340 -0.001 0.000 0.206 106 Q C 2.245 178.268 176.000 0.039 0.000 0.987 106 Q CA 2.093 57.914 55.803 0.030 0.000 0.858 106 Q CB -0.896 27.867 28.738 0.042 0.000 0.905 106 Q HN 0.756 nan 8.270 nan 0.000 0.420 107 N N 0.311 119.034 118.700 0.038 0.000 2.205 107 N HA -0.196 4.543 4.740 -0.001 0.000 0.186 107 N C 1.642 177.182 175.510 0.049 0.000 1.015 107 N CA 1.356 54.428 53.050 0.037 0.000 0.862 107 N CB -0.187 38.318 38.487 0.029 0.000 0.986 107 N HN 0.401 nan 8.380 nan 0.000 0.429 108 H N 0.006 119.066 119.070 -0.016 0.000 2.284 108 H HA 0.012 4.567 4.556 -0.001 0.000 0.304 108 H C 2.092 177.427 175.328 0.012 0.000 1.069 108 H CA 1.540 57.580 56.048 -0.013 0.000 1.327 108 H CB -0.172 29.564 29.762 -0.044 0.000 1.387 108 H HN 0.198 nan 8.280 nan 0.000 0.498 109 I N 0.780 121.326 120.570 -0.040 0.000 2.185 109 I HA -0.301 3.869 4.170 -0.001 0.000 0.246 109 I C 2.803 178.900 176.117 -0.033 0.000 1.088 109 I CA 1.262 62.528 61.300 -0.058 0.000 1.347 109 I CB -0.637 37.352 38.000 -0.018 0.000 1.041 109 I HN 0.373 nan 8.210 nan 0.000 0.415 110 G N -0.175 108.626 108.800 0.002 0.000 2.587 110 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.217 110 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.217 110 G C 1.711 176.657 174.900 0.076 0.000 1.240 110 G CA 1.141 46.271 45.100 0.050 0.000 0.794 110 G HN 0.362 nan 8.290 nan 0.000 0.580 111 S N 0.298 116.008 115.700 0.016 0.000 2.392 111 S HA -0.099 4.371 4.470 -0.001 0.000 0.232 111 S C 2.369 177.033 174.600 0.106 0.000 1.041 111 S CA 1.164 59.421 58.200 0.095 0.000 1.026 111 S CB -0.298 62.890 63.200 -0.020 0.000 0.845 111 S HN 0.339 nan 8.310 nan 0.000 0.465 112 L N 1.077 122.263 121.223 -0.063 0.000 1.989 112 L HA -0.207 4.132 4.340 -0.001 0.000 0.211 112 L C 2.152 179.136 176.870 0.189 0.000 1.071 112 L CA 1.563 56.418 54.840 0.025 0.000 0.749 112 L CB -1.054 41.005 42.059 0.000 0.000 0.890 112 L HN 0.404 nan 8.230 nan 0.000 0.431 113 N N -0.673 118.117 118.700 0.151 0.000 2.002 113 N HA -0.308 4.432 4.740 -0.001 0.000 0.199 113 N C 1.623 177.219 175.510 0.144 0.000 1.060 113 N CA 1.940 55.081 53.050 0.151 0.000 0.867 113 N CB -0.418 38.155 38.487 0.142 0.000 1.069 113 N HN 0.345 nan 8.380 nan 0.000 0.430 114 W N 1.893 123.210 121.300 0.027 0.000 2.308 114 W HA -0.183 4.476 4.660 -0.001 0.000 0.301 114 W C 2.173 178.685 176.519 -0.010 0.000 1.220 114 W CA 1.900 59.252 57.345 0.012 0.000 1.240 114 W CB -0.813 28.645 29.460 -0.004 0.000 1.142 114 W HN 0.083 nan 8.180 nan 0.000 0.521 115 G N -0.940 107.700 108.800 -0.267 0.000 2.414 115 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.215 115 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.215 115 G C 1.220 175.795 174.900 -0.541 0.000 1.188 115 G CA 1.206 45.948 45.100 -0.597 0.000 0.783 115 G HN 0.386 nan 8.290 nan 0.000 0.537 116 Y N 0.735 120.853 120.300 -0.303 0.000 2.151 116 Y HA -0.146 4.403 4.550 -0.001 0.000 0.284 116 Y C 3.120 178.816 175.900 -0.339 0.000 1.166 116 Y CA 1.778 59.714 58.100 -0.274 0.000 1.163 116 Y CB -0.274 38.053 38.460 -0.221 0.000 0.974 116 Y HN 0.046 nan 8.280 nan 0.000 0.511 117 R N -0.185 120.178 120.500 -0.227 0.000 2.103 117 R HA -0.218 4.121 4.340 -0.001 0.000 0.234 117 R C 2.155 178.276 176.300 -0.299 0.000 1.132 117 R CA 2.500 58.431 56.100 -0.281 0.000 0.925 117 R CB -0.939 29.223 30.300 -0.232 0.000 0.842 117 R HN 0.200 nan 8.270 nan 0.000 0.430 118 V N 0.646 120.267 119.914 -0.489 0.000 2.317 118 V HA -0.317 3.802 4.120 -0.001 0.000 0.251 118 V C 2.381 178.297 176.094 -0.298 0.000 1.065 118 V CA 2.036 64.069 62.300 -0.446 0.000 1.049 118 V CB -1.218 30.169 31.823 -0.726 0.000 0.651 118 V HN 0.517 nan 8.190 nan 0.000 0.450 119 A N 0.092 122.721 122.820 -0.319 0.000 1.940 119 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 119 A C 2.273 179.771 177.584 -0.143 0.000 1.176 119 A CA 2.189 54.089 52.037 -0.227 0.000 0.631 119 A CB -0.548 18.296 19.000 -0.260 0.000 0.814 119 A HN 0.541 nan 8.150 nan 0.000 0.446 120 L N -1.511 119.634 121.223 -0.129 0.000 2.023 120 L HA -0.147 4.192 4.340 -0.001 0.000 0.205 120 L C 2.687 179.522 176.870 -0.058 0.000 1.073 120 L CA 1.534 56.326 54.840 -0.079 0.000 0.745 120 L CB -0.540 41.470 42.059 -0.082 0.000 0.900 120 L HN 0.440 nan 8.230 nan 0.000 0.435 121 R N 1.253 121.712 120.500 -0.068 0.000 2.154 121 R HA -0.299 4.040 4.340 -0.001 0.000 0.236 121 R C 2.136 178.411 176.300 -0.041 0.000 1.121 121 R CA 2.370 58.446 56.100 -0.040 0.000 0.915 121 R CB -0.772 29.495 30.300 -0.055 0.000 0.856 121 R HN 0.239 nan 8.270 nan 0.000 0.431 122 E N 0.214 120.374 120.200 -0.066 0.000 2.219 122 E HA -0.162 4.187 4.350 -0.001 0.000 0.198 122 E C 0.865 177.435 176.600 -0.050 0.000 0.998 122 E CA 1.464 57.830 56.400 -0.056 0.000 0.818 122 E CB -0.013 29.643 29.700 -0.073 0.000 0.741 122 E HN 0.227 nan 8.360 nan 0.000 0.477 123 K N 0.790 121.158 120.400 -0.054 0.000 2.458 123 K HA 0.079 4.398 4.320 -0.001 0.000 0.194 123 K C -0.275 176.307 176.600 -0.031 0.000 1.024 123 K CA 0.119 56.378 56.287 -0.047 0.000 1.108 123 K CB 0.093 32.562 32.500 -0.052 0.000 0.846 123 K HN 0.167 nan 8.250 nan 0.000 0.518 124 K N 0.216 120.605 120.400 -0.019 0.000 3.244 124 K HA -0.141 4.179 4.320 -0.001 0.000 0.270 124 K C -0.580 176.029 176.600 0.015 0.000 1.016 124 K CA 0.185 56.471 56.287 -0.001 0.000 0.754 124 K CB -1.860 30.637 32.500 -0.006 0.000 1.326 124 K HN -0.097 nan 8.250 nan 0.000 0.465 125 V N 0.734 120.658 119.914 0.016 0.000 2.815 125 V HA 0.403 4.522 4.120 -0.001 0.000 0.314 125 V C 0.329 176.454 176.094 0.050 0.000 1.064 125 V CA -0.976 61.342 62.300 0.029 0.000 0.952 125 V CB 2.242 34.069 31.823 0.007 0.000 1.020 125 V HN 0.085 nan 8.190 nan 0.000 0.439 126 V N 3.850 123.797 119.914 0.054 0.000 2.370 126 V HA 0.324 4.443 4.120 -0.001 0.000 0.279 126 V C -0.890 175.223 176.094 0.031 0.000 1.029 126 V CA -0.551 61.777 62.300 0.046 0.000 0.870 126 V CB 1.143 32.995 31.823 0.047 0.000 0.984 126 V HN 0.736 nan 8.190 nan 0.000 0.451 127 Y N 4.420 124.678 120.300 -0.070 0.000 2.331 127 Y HA 0.702 5.251 4.550 -0.001 0.000 0.338 127 Y C -0.318 175.540 175.900 -0.069 0.000 0.992 127 Y CA -1.360 56.695 58.100 -0.074 0.000 1.121 127 Y CB 1.629 40.066 38.460 -0.039 0.000 1.184 127 Y HN 0.698 nan 8.280 nan 0.000 0.469 128 E N 4.620 124.552 120.200 -0.447 0.000 2.185 128 E HA 0.227 4.577 4.350 -0.001 0.000 0.261 128 E C -1.040 175.180 176.600 -0.633 0.000 0.879 128 E CA -0.326 55.764 56.400 -0.517 0.000 0.756 128 E CB 0.596 30.108 29.700 -0.313 0.000 1.152 128 E HN 0.749 nan 8.360 nan 0.000 0.416 129 N N 3.282 121.570 118.700 -0.687 0.000 3.103 129 N HA 0.289 5.028 4.740 -0.001 0.000 0.305 129 N C -1.266 174.175 175.510 -0.116 0.000 1.232 129 N CA 0.059 52.902 53.050 -0.345 0.000 1.190 129 N CB -0.054 38.298 38.487 -0.225 0.000 1.461 129 N HN 0.410 nan 8.380 nan 0.000 0.538 130 A N 1.835 124.594 122.820 -0.101 0.000 2.574 130 A HA 0.232 4.552 4.320 -0.001 0.000 0.297 130 A C -1.210 176.316 177.584 -0.096 0.000 1.062 130 A CA -0.661 51.255 52.037 -0.201 0.000 0.686 130 A CB 0.592 19.491 19.000 -0.169 0.000 1.285 130 A HN 0.515 nan 8.150 nan 0.000 0.403 131 Y N 0.798 120.836 120.300 -0.436 0.000 2.469 131 Y HA 0.336 4.886 4.550 -0.001 0.000 0.353 131 Y C 1.022 176.889 175.900 -0.055 0.000 1.269 131 Y CA 1.881 59.933 58.100 -0.080 0.000 1.504 131 Y CB 0.639 39.002 38.460 -0.162 0.000 1.369 131 Y HN 0.884 nan 8.280 nan 0.000 0.654 132 G N 2.599 111.491 108.800 0.153 0.000 2.701 132 G HA2 0.564 4.523 3.960 -0.001 0.000 0.300 132 G HA3 0.564 4.523 3.960 -0.001 0.000 0.300 132 G C -2.204 172.780 174.900 0.140 0.000 1.410 132 G CA -0.928 44.228 45.100 0.094 0.000 1.014 132 G HN 0.578 nan 8.290 nan 0.000 0.509 133 Q N 1.241 121.085 119.800 0.073 0.000 2.289 133 Q HA 0.438 4.777 4.340 -0.001 0.000 0.270 133 Q C -1.516 174.509 176.000 0.042 0.000 1.038 133 Q CA -0.917 54.902 55.803 0.027 0.000 0.812 133 Q CB 2.566 31.355 28.738 0.085 0.000 1.300 133 Q HN 0.387 nan 8.270 nan 0.000 0.427 134 F N 2.065 122.022 119.950 0.012 0.000 2.429 134 F HA 0.298 4.824 4.527 -0.001 0.000 0.348 134 F C 1.215 177.012 175.800 -0.005 0.000 1.109 134 F CA -0.646 57.326 58.000 -0.046 0.000 1.232 134 F CB 0.631 39.557 39.000 -0.123 0.000 1.157 134 F HN 0.543 nan 8.300 nan 0.000 0.564 135 I N -0.066 120.637 120.570 0.221 0.000 4.624 135 I HA 0.448 4.617 4.170 -0.001 0.000 0.327 135 I C 0.748 176.919 176.117 0.089 0.000 1.295 135 I CA -0.009 61.368 61.300 0.129 0.000 1.267 135 I CB 0.439 38.504 38.000 0.108 0.000 1.249 135 I HN 0.552 nan 8.210 nan 0.000 0.440 136 G N 1.049 109.896 108.800 0.078 0.000 2.579 136 G HA2 0.440 4.400 3.960 -0.001 0.000 0.292 136 G HA3 0.440 4.400 3.960 -0.001 0.000 0.292 136 G C -3.178 171.750 174.900 0.047 0.000 1.484 136 G CA -1.100 44.033 45.100 0.056 0.000 0.813 136 G HN -0.355 nan 8.290 nan 0.000 0.515 137 P HA -0.040 nan 4.420 nan 0.000 0.264 137 P C 0.298 177.754 177.300 0.261 0.000 1.156 137 P CA 0.932 64.151 63.100 0.199 0.000 0.756 137 P CB -0.098 31.747 31.700 0.242 0.000 0.764 138 H N -0.591 118.457 119.070 -0.036 0.000 2.845 138 H HA -0.250 4.306 4.556 -0.001 0.000 0.296 138 H C 0.084 175.585 175.328 0.288 0.000 1.116 138 H CA 0.620 56.733 56.048 0.109 0.000 1.162 138 H CB -1.036 28.634 29.762 -0.154 0.000 1.338 138 H HN 0.469 nan 8.280 nan 0.000 0.370 139 R N 0.327 120.989 120.500 0.272 0.000 2.628 139 R HA 0.717 5.057 4.340 -0.001 0.000 0.288 139 R C -0.612 175.883 176.300 0.325 0.000 0.980 139 R CA -0.617 55.678 56.100 0.324 0.000 0.891 139 R CB 2.720 33.152 30.300 0.220 0.000 1.188 139 R HN 0.227 nan 8.270 nan 0.000 0.450 140 I N 0.959 121.786 120.570 0.428 0.000 2.686 140 I HA 0.423 4.593 4.170 -0.001 0.000 0.295 140 I C -1.380 174.922 176.117 0.309 0.000 1.114 140 I CA -0.827 60.719 61.300 0.410 0.000 1.038 140 I CB 1.896 40.211 38.000 0.525 0.000 1.238 140 I HN 0.509 nan 8.210 nan 0.000 0.420 141 K N 6.388 126.917 120.400 0.215 0.000 2.240 141 K HA 0.719 5.039 4.320 -0.001 0.000 0.271 141 K C -1.117 175.577 176.600 0.156 0.000 1.018 141 K CA -0.511 55.871 56.287 0.158 0.000 0.874 141 K CB 1.486 34.042 32.500 0.095 0.000 1.098 141 K HN 0.678 nan 8.250 nan 0.000 0.458 142 A N 3.561 126.491 122.820 0.183 0.000 2.273 142 A HA 0.243 4.562 4.320 -0.001 0.000 0.320 142 A C -0.314 177.303 177.584 0.054 0.000 1.358 142 A CA -0.568 51.560 52.037 0.152 0.000 0.910 142 A CB 0.950 20.112 19.000 0.270 0.000 1.159 142 A HN 0.702 nan 8.150 nan 0.000 0.526 143 T N 2.686 117.228 114.554 -0.020 0.000 2.767 143 T HA 0.409 4.759 4.350 -0.001 0.000 0.288 143 T C 0.432 174.989 174.700 -0.238 0.000 0.963 143 T CA -0.517 61.517 62.100 -0.110 0.000 1.019 143 T CB -0.162 68.624 68.868 -0.138 0.000 0.923 143 T HN 0.659 nan 8.240 nan 0.000 0.468 144 N N 2.825 121.408 118.700 -0.195 0.000 2.332 144 N HA 0.187 4.926 4.740 -0.001 0.000 0.282 144 N C 1.431 176.763 175.510 -0.296 0.000 1.288 144 N CA -0.223 52.686 53.050 -0.235 0.000 0.949 144 N CB 0.203 38.622 38.487 -0.114 0.000 1.108 144 N HN 0.856 nan 8.380 nan 0.000 0.542 145 N N -0.510 118.088 118.700 -0.170 0.000 2.416 145 N HA -0.045 4.694 4.740 -0.001 0.000 0.177 145 N C 0.310 175.807 175.510 -0.023 0.000 1.036 145 N CA 1.091 54.108 53.050 -0.055 0.000 0.901 145 N CB 0.190 38.732 38.487 0.091 0.000 0.976 145 N HN 0.279 nan 8.380 nan 0.000 0.444 146 K N -0.864 119.513 120.400 -0.037 0.000 2.410 146 K HA 0.242 4.561 4.320 -0.001 0.000 0.200 146 K C 0.463 177.043 176.600 -0.034 0.000 1.023 146 K CA 0.360 56.634 56.287 -0.021 0.000 1.149 146 K CB 0.470 32.964 32.500 -0.011 0.000 0.859 146 K HN 0.439 nan 8.250 nan 0.000 0.514 147 G N 1.803 110.567 108.800 -0.059 0.000 2.345 147 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.218 147 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.218 147 G C -0.252 174.611 174.900 -0.061 0.000 1.058 147 G CA -0.515 44.549 45.100 -0.060 0.000 0.632 147 G HN 0.263 nan 8.290 nan 0.000 0.508 148 K N 2.635 123.005 120.400 -0.050 0.000 2.504 148 K HA 0.249 4.568 4.320 -0.001 0.000 0.278 148 K C 0.859 177.431 176.600 -0.047 0.000 1.025 148 K CA 1.052 57.314 56.287 -0.042 0.000 1.093 148 K CB 0.429 32.910 32.500 -0.032 0.000 0.873 148 K HN 0.778 nan 8.250 nan 0.000 0.483 149 E N 2.650 122.826 120.200 -0.040 0.000 2.446 149 E HA 0.507 4.856 4.350 -0.001 0.000 0.251 149 E C -0.665 175.914 176.600 -0.035 0.000 1.087 149 E CA -0.959 55.421 56.400 -0.033 0.000 0.937 149 E CB 1.510 31.192 29.700 -0.030 0.000 1.254 149 E HN 0.376 nan 8.360 nan 0.000 0.479 150 K N -0.264 120.112 120.400 -0.040 0.000 2.622 150 K HA 0.407 4.726 4.320 -0.001 0.000 0.273 150 K C -2.251 174.240 176.600 -0.181 0.000 0.957 150 K CA -0.390 55.811 56.287 -0.143 0.000 0.861 150 K CB 1.210 33.597 32.500 -0.188 0.000 1.405 150 K HN 0.525 nan 8.250 nan 0.000 0.406 151 I N 3.916 124.313 120.570 -0.289 0.000 2.474 151 I HA 0.499 4.668 4.170 -0.001 0.000 0.294 151 I C -1.056 174.900 176.117 -0.268 0.000 1.005 151 I CA -0.292 60.922 61.300 -0.144 0.000 1.113 151 I CB 1.356 39.344 38.000 -0.021 0.000 1.289 151 I HN 0.531 nan 8.210 nan 0.000 0.436 152 Y N 2.416 122.826 120.300 0.184 0.000 2.634 152 Y HA 0.772 5.321 4.550 -0.001 0.000 0.340 152 Y C 0.030 176.110 175.900 0.300 0.000 1.058 152 Y CA -0.920 57.320 58.100 0.233 0.000 1.081 152 Y CB 2.238 40.816 38.460 0.195 0.000 1.295 152 Y HN 0.512 nan 8.280 nan 0.000 0.487 153 S N 0.528 116.519 115.700 0.485 0.000 2.541 153 S HA 0.973 5.442 4.470 -0.001 0.000 0.271 153 S C -1.359 173.397 174.600 0.260 0.000 1.133 153 S CA -0.504 57.951 58.200 0.425 0.000 0.876 153 S CB 1.939 65.377 63.200 0.398 0.000 1.105 153 S HN 1.241 nan 8.310 nan 0.000 0.470 154 A N 1.094 123.901 122.820 -0.021 0.000 2.572 154 A HA 0.704 5.024 4.320 -0.001 0.000 0.295 154 A C 0.366 177.613 177.584 -0.563 0.000 1.072 154 A CA -0.443 51.413 52.037 -0.302 0.000 0.691 154 A CB 1.361 20.043 19.000 -0.530 0.000 1.291 154 A HN 0.987 nan 8.150 nan 0.000 0.404 155 E N 0.108 120.023 120.200 -0.475 0.000 2.268 155 E HA -0.051 4.299 4.350 -0.001 0.000 0.195 155 E C 0.299 176.824 176.600 -0.125 0.000 0.995 155 E CA 0.902 57.044 56.400 -0.429 0.000 0.836 155 E CB 0.130 29.853 29.700 0.038 0.000 0.763 155 E HN 0.483 nan 8.360 nan 0.000 0.491 156 R N -1.001 119.457 120.500 -0.071 0.000 2.643 156 R HA 0.363 4.703 4.340 -0.001 0.000 0.269 156 R C -1.657 174.682 176.300 0.065 0.000 1.037 156 R CA -0.618 55.587 56.100 0.176 0.000 0.894 156 R CB 1.336 31.792 30.300 0.259 0.000 1.238 156 R HN -0.114 nan 8.270 nan 0.000 0.459 157 F N 1.509 121.603 119.950 0.241 0.000 2.577 157 F HA 0.563 5.089 4.527 -0.001 0.000 0.318 157 F C -0.653 175.294 175.800 0.245 0.000 1.065 157 F CA -0.992 57.156 58.000 0.247 0.000 0.929 157 F CB 1.612 40.824 39.000 0.353 0.000 1.237 157 F HN 0.135 nan 8.300 nan 0.000 0.468 158 L N 3.301 124.776 121.223 0.420 0.000 2.376 158 L HA 0.639 4.978 4.340 -0.001 0.000 0.275 158 L C -1.161 175.835 176.870 0.210 0.000 0.987 158 L CA -0.691 54.315 54.840 0.277 0.000 0.828 158 L CB 1.261 43.427 42.059 0.178 0.000 1.249 158 L HN 0.427 nan 8.230 nan 0.000 0.409 159 I N 5.289 125.959 120.570 0.167 0.000 2.297 159 I HA 0.605 4.774 4.170 -0.001 0.000 0.291 159 I C 0.458 176.610 176.117 0.058 0.000 1.033 159 I CA 0.196 61.545 61.300 0.080 0.000 1.253 159 I CB 1.571 39.609 38.000 0.063 0.000 1.396 159 I HN 0.758 nan 8.210 nan 0.000 0.476 160 A N 3.612 126.449 122.820 0.029 0.000 3.234 160 A HA 0.311 4.630 4.320 -0.001 0.000 0.247 160 A C 1.008 178.592 177.584 -0.001 0.000 0.938 160 A CA -0.228 51.824 52.037 0.024 0.000 1.039 160 A CB -0.405 18.612 19.000 0.028 0.000 1.197 160 A HN 0.703 nan 8.150 nan 0.000 0.498 161 T N -2.888 111.658 114.554 -0.013 0.000 3.014 161 T HA 0.427 4.776 4.350 -0.001 0.000 0.263 161 T C 1.408 176.104 174.700 -0.007 0.000 1.078 161 T CA 1.068 63.148 62.100 -0.034 0.000 1.135 161 T CB -0.284 68.548 68.868 -0.060 0.000 0.895 161 T HN 2.086 nan 8.240 nan 0.000 0.480 162 G N 1.119 109.926 108.800 0.011 0.000 2.645 162 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.239 162 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.239 162 G C -0.677 174.243 174.900 0.034 0.000 1.331 162 G CA -0.119 44.998 45.100 0.027 0.000 0.890 162 G HN 0.623 nan 8.290 nan 0.000 0.572 163 E N -0.608 119.621 120.200 0.048 0.000 2.447 163 E HA 0.835 5.184 4.350 -0.001 0.000 0.251 163 E C -0.038 176.604 176.600 0.070 0.000 0.910 163 E CA -1.114 55.317 56.400 0.053 0.000 0.841 163 E CB 1.323 31.054 29.700 0.051 0.000 1.403 163 E HN 0.462 nan 8.360 nan 0.000 0.400 164 R N 0.654 121.195 120.500 0.069 0.000 2.710 164 R HA 0.340 4.679 4.340 -0.001 0.000 0.270 164 R C -2.773 173.560 176.300 0.056 0.000 1.021 164 R CA -2.200 53.950 56.100 0.083 0.000 0.889 164 R CB 1.310 31.670 30.300 0.100 0.000 1.243 164 R HN 0.412 nan 8.270 nan 0.000 0.464 165 P HA 0.056 nan 4.420 nan 0.000 0.263 165 P C -0.437 176.844 177.300 -0.030 0.000 1.195 165 P CA 0.011 63.089 63.100 -0.036 0.000 0.762 165 P CB 0.670 32.312 31.700 -0.097 0.000 0.799 166 R N 3.763 124.245 120.500 -0.031 0.000 2.441 166 R HA 0.295 4.634 4.340 -0.001 0.000 0.284 166 R C -0.795 175.510 176.300 0.008 0.000 1.070 166 R CA -0.352 55.765 56.100 0.028 0.000 1.047 166 R CB 0.290 30.608 30.300 0.029 0.000 1.016 166 R HN 0.370 nan 8.270 nan 0.000 0.477 167 Y N 2.542 122.850 120.300 0.014 0.000 2.534 167 Y HA 0.184 4.733 4.550 -0.001 0.000 0.329 167 Y C 1.169 177.076 175.900 0.012 0.000 1.154 167 Y CA -0.666 57.442 58.100 0.012 0.000 1.192 167 Y CB 1.577 40.044 38.460 0.011 0.000 1.275 167 Y HN 0.506 nan 8.280 nan 0.000 0.491 168 L N 1.182 122.543 121.223 0.231 0.000 2.044 168 L HA 0.051 4.391 4.340 -0.001 0.000 0.205 168 L C 1.071 177.995 176.870 0.090 0.000 1.075 168 L CA 1.457 56.371 54.840 0.124 0.000 0.747 168 L CB -0.366 41.755 42.059 0.104 0.000 0.903 168 L HN 1.057 nan 8.230 nan 0.000 0.435 169 G N 0.826 109.674 108.800 0.080 0.000 2.288 169 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.205 169 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.205 169 G C -0.244 174.672 174.900 0.027 0.000 1.071 169 G CA 0.122 45.242 45.100 0.033 0.000 0.788 169 G HN 0.397 nan 8.290 nan 0.000 0.491 170 I N -3.144 117.449 120.570 0.037 0.000 2.934 170 I HA 0.848 5.017 4.170 -0.001 0.000 0.306 170 I C -2.612 173.527 176.117 0.037 0.000 1.110 170 I CA -3.444 57.878 61.300 0.037 0.000 1.019 170 I CB 2.015 40.047 38.000 0.052 0.000 1.227 170 I HN -0.107 nan 8.210 nan 0.000 0.434 171 P HA 0.148 nan 4.420 nan 0.000 0.262 171 P C 0.793 178.161 177.300 0.113 0.000 1.182 171 P CA 1.389 64.522 63.100 0.056 0.000 0.761 171 P CB 0.578 32.312 31.700 0.056 0.000 0.795 172 G N 2.827 111.704 108.800 0.128 0.000 2.253 172 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.251 172 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.251 172 G C 0.824 175.832 174.900 0.180 0.000 0.998 172 G CA 0.706 45.991 45.100 0.307 0.000 0.621 172 G HN 0.604 nan 8.290 nan 0.000 0.524 173 D N 1.196 121.652 120.400 0.092 0.000 2.003 173 D HA -0.089 4.550 4.640 -0.001 0.000 0.251 173 D C 2.010 178.299 176.300 -0.018 0.000 1.063 173 D CA 1.530 55.603 54.000 0.122 0.000 0.968 173 D CB -0.890 40.018 40.800 0.180 0.000 1.349 173 D HN 0.409 nan 8.370 nan 0.000 0.514 174 K N 0.507 120.663 120.400 -0.407 0.000 2.334 174 K HA -0.224 4.096 4.320 -0.001 0.000 0.204 174 K C 1.904 178.349 176.600 -0.260 0.000 1.043 174 K CA 1.850 57.781 56.287 -0.593 0.000 0.933 174 K CB -0.294 31.817 32.500 -0.650 0.000 0.734 174 K HN 0.589 nan 8.250 nan 0.000 0.479 175 E N -0.540 119.479 120.200 -0.302 0.000 2.216 175 E HA -0.104 4.245 4.350 -0.001 0.000 0.192 175 E C 1.176 177.515 176.600 -0.435 0.000 0.973 175 E CA 1.067 57.183 56.400 -0.474 0.000 0.851 175 E CB -0.087 29.138 29.700 -0.792 0.000 0.804 175 E HN 0.490 nan 8.360 nan 0.000 0.477 176 Y N 0.320 120.650 120.300 0.049 0.000 2.452 176 Y HA 0.284 4.834 4.550 -0.001 0.000 0.262 176 Y C 1.165 177.124 175.900 0.097 0.000 1.089 176 Y CA -1.031 57.108 58.100 0.064 0.000 1.262 176 Y CB 0.286 38.773 38.460 0.045 0.000 1.236 176 Y HN -0.056 nan 8.280 nan 0.000 0.512 177 C N 2.952 122.413 119.300 0.269 0.000 2.398 177 C HA 0.643 5.102 4.460 -0.001 0.000 0.364 177 C C 0.623 175.742 174.990 0.215 0.000 1.219 177 C CA -1.109 58.048 59.018 0.233 0.000 2.312 177 C CB -0.256 27.638 27.740 0.256 0.000 2.428 177 C HN 0.357 nan 8.230 nan 0.000 0.564 178 I N 0.833 121.467 120.570 0.106 0.000 3.023 178 I HA 0.872 5.042 4.170 -0.001 0.000 0.312 178 I C -0.005 176.065 176.117 -0.078 0.000 1.056 178 I CA -0.137 61.190 61.300 0.045 0.000 1.033 178 I CB 2.023 40.040 38.000 0.029 0.000 1.233 178 I HN 0.678 nan 8.210 nan 0.000 0.462 179 S N 0.716 116.346 115.700 -0.117 0.000 2.810 179 S HA 0.354 4.823 4.470 -0.001 0.000 0.315 179 S C 0.952 175.440 174.600 -0.187 0.000 1.138 179 S CA 0.031 58.117 58.200 -0.190 0.000 0.889 179 S CB 1.071 64.115 63.200 -0.260 0.000 1.236 179 S HN 0.932 nan 8.310 nan 0.000 0.548 180 S N 0.473 116.054 115.700 -0.197 0.000 2.387 180 S HA -0.214 4.256 4.470 -0.001 0.000 0.230 180 S C 1.024 175.430 174.600 -0.324 0.000 1.035 180 S CA 1.917 59.941 58.200 -0.294 0.000 1.014 180 S CB -1.190 61.951 63.200 -0.099 0.000 0.836 180 S HN 0.715 nan 8.310 nan 0.000 0.466 181 D N 1.841 122.176 120.400 -0.109 0.000 2.144 181 D HA -0.045 4.594 4.640 -0.001 0.000 0.199 181 D C 1.669 177.996 176.300 0.044 0.000 0.984 181 D CA 1.377 55.380 54.000 0.006 0.000 0.834 181 D CB -0.412 40.567 40.800 0.297 0.000 0.955 181 D HN 0.558 nan 8.370 nan 0.000 0.465 182 D N -0.303 120.098 120.400 0.001 0.000 2.213 182 D HA -0.067 4.572 4.640 -0.001 0.000 0.205 182 D C 2.108 178.379 176.300 -0.048 0.000 0.961 182 D CA -0.019 53.996 54.000 0.025 0.000 0.853 182 D CB 0.195 41.015 40.800 0.034 0.000 0.967 182 D HN 0.062 nan 8.370 nan 0.000 0.496 183 L N 1.196 122.310 121.223 -0.182 0.000 1.970 183 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 183 L C 1.608 178.431 176.870 -0.078 0.000 1.071 183 L CA 1.686 56.410 54.840 -0.193 0.000 0.751 183 L CB -1.371 40.453 42.059 -0.392 0.000 0.889 183 L HN -0.082 nan 8.230 nan 0.000 0.432 184 F N -0.177 119.833 119.950 0.100 0.000 2.754 184 F HA -0.037 4.489 4.527 -0.001 0.000 0.298 184 F C 1.945 177.764 175.800 0.031 0.000 1.234 184 F CA 0.773 58.799 58.000 0.044 0.000 1.460 184 F CB -1.312 37.660 39.000 -0.047 0.000 1.120 184 F HN 0.386 nan 8.300 nan 0.000 0.592 185 S N -2.223 113.580 115.700 0.171 0.000 2.800 185 S HA 0.160 4.629 4.470 -0.001 0.000 0.266 185 S C 0.121 174.788 174.600 0.111 0.000 1.029 185 S CA -0.613 57.671 58.200 0.140 0.000 1.302 185 S CB -0.739 62.548 63.200 0.145 0.000 1.212 185 S HN 0.197 nan 8.310 nan 0.000 0.683 186 L N 4.373 125.650 121.223 0.091 0.000 2.615 186 L HA 0.192 4.531 4.340 -0.001 0.000 0.284 186 L C -2.248 174.601 176.870 -0.035 0.000 1.237 186 L CA -0.495 54.294 54.840 -0.085 0.000 0.905 186 L CB 0.712 42.703 42.059 -0.114 0.000 1.149 186 L HN 0.042 nan 8.230 nan 0.000 0.499 187 P HA 0.190 nan 4.420 nan 0.000 0.228 187 P C -1.779 175.543 177.300 0.037 0.000 1.873 187 P CA -0.045 63.058 63.100 0.005 0.000 1.033 187 P CB -0.273 31.458 31.700 0.051 0.000 1.707 188 Y N -3.109 117.196 120.300 0.009 0.000 2.457 188 Y HA 0.223 4.773 4.550 -0.001 0.000 0.322 188 Y C -0.530 174.933 175.900 -0.728 0.000 1.218 188 Y CA -2.512 55.457 58.100 -0.219 0.000 1.116 188 Y CB -0.440 37.949 38.460 -0.118 0.000 1.335 188 Y HN -0.022 nan 8.280 nan 0.000 0.452 189 C N 6.005 125.023 119.300 -0.469 0.000 2.255 189 C HA 0.094 4.553 4.460 -0.001 0.000 0.401 189 C C -1.246 173.491 174.990 -0.422 0.000 1.529 189 C CA -0.292 58.360 59.018 -0.610 0.000 1.418 189 C CB -0.638 26.993 27.740 -0.183 0.000 2.522 189 C HN 0.712 nan 8.230 nan 0.000 0.616 190 P HA 0.148 nan 4.420 nan 0.000 0.244 190 P C 1.314 178.526 177.300 -0.146 0.000 1.211 190 P CA 1.720 64.678 63.100 -0.236 0.000 0.760 190 P CB -0.431 31.089 31.700 -0.300 0.000 0.961 191 G N 0.723 109.432 108.800 -0.151 0.000 2.632 191 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.322 191 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.322 191 G C 0.078 174.947 174.900 -0.051 0.000 1.326 191 G CA -0.070 44.981 45.100 -0.081 0.000 0.986 191 G HN 0.436 nan 8.290 nan 0.000 0.541 192 K N 0.700 121.091 120.400 -0.016 0.000 2.412 192 K HA 0.449 4.768 4.320 -0.001 0.000 0.284 192 K C 0.002 176.591 176.600 -0.018 0.000 1.046 192 K CA 0.629 56.919 56.287 0.006 0.000 0.999 192 K CB 0.057 32.607 32.500 0.083 0.000 0.941 192 K HN 0.483 nan 8.250 nan 0.000 0.474 193 T N 3.714 118.205 114.554 -0.107 0.000 2.942 193 T HA 0.521 4.870 4.350 -0.001 0.000 0.289 193 T C -1.309 173.169 174.700 -0.370 0.000 1.044 193 T CA -0.753 61.251 62.100 -0.160 0.000 1.023 193 T CB 1.043 69.826 68.868 -0.142 0.000 1.123 193 T HN 0.544 nan 8.240 nan 0.000 0.512 194 L N 1.558 122.584 121.223 -0.329 0.000 2.401 194 L HA 0.815 5.154 4.340 -0.001 0.000 0.266 194 L C -1.642 175.087 176.870 -0.234 0.000 0.991 194 L CA -0.602 53.973 54.840 -0.441 0.000 0.818 194 L CB 1.964 43.755 42.059 -0.446 0.000 1.321 194 L HN 0.413 nan 8.230 nan 0.000 0.413 195 V N 5.171 124.942 119.914 -0.238 0.000 2.376 195 V HA 0.361 4.480 4.120 -0.001 0.000 0.287 195 V C -0.499 175.503 176.094 -0.154 0.000 1.015 195 V CA -0.671 61.518 62.300 -0.184 0.000 0.834 195 V CB 1.776 33.474 31.823 -0.209 0.000 1.001 195 V HN 0.559 nan 8.190 nan 0.000 0.428 196 V N 2.752 122.606 119.914 -0.099 0.000 2.339 196 V HA 0.971 5.090 4.120 -0.001 0.000 0.261 196 V C 0.658 176.709 176.094 -0.071 0.000 1.058 196 V CA 0.190 62.451 62.300 -0.064 0.000 0.897 196 V CB -0.047 31.765 31.823 -0.019 0.000 1.052 196 V HN 1.173 nan 8.190 nan 0.000 0.480 197 G N 2.937 111.690 108.800 -0.078 0.000 2.345 197 G HA2 0.582 4.542 3.960 -0.001 0.000 0.310 197 G HA3 0.582 4.542 3.960 -0.001 0.000 0.310 197 G C -0.499 174.356 174.900 -0.074 0.000 1.476 197 G CA -0.082 44.979 45.100 -0.065 0.000 0.978 197 G HN 1.451 nan 8.290 nan 0.000 0.656 198 A N -0.173 122.625 122.820 -0.036 0.000 2.674 198 A HA 0.767 5.086 4.320 -0.001 0.000 0.286 198 A C 0.763 178.357 177.584 0.015 0.000 0.980 198 A CA 1.076 53.108 52.037 -0.009 0.000 1.028 198 A CB -0.225 18.792 19.000 0.029 0.000 1.199 198 A HN 2.178 nan 8.150 nan 0.000 0.499 199 S N -0.812 114.873 115.700 -0.024 0.000 2.713 199 S HA 0.449 4.918 4.470 -0.001 0.000 0.283 199 S C 1.280 175.867 174.600 -0.022 0.000 1.161 199 S CA 0.076 58.256 58.200 -0.034 0.000 0.999 199 S CB 0.443 63.536 63.200 -0.178 0.000 1.039 199 S HN 0.999 nan 8.310 nan 0.000 0.548 200 Y N 1.406 121.750 120.300 0.073 0.000 2.151 200 Y HA -0.073 4.476 4.550 -0.001 0.000 0.284 200 Y C 1.851 177.807 175.900 0.092 0.000 1.166 200 Y CA 1.622 59.751 58.100 0.048 0.000 1.163 200 Y CB -1.648 36.859 38.460 0.078 0.000 0.974 200 Y HN 0.298 nan 8.280 nan 0.000 0.511 201 V N 1.501 121.225 119.914 -0.316 0.000 2.332 201 V HA -0.330 3.790 4.120 -0.001 0.000 0.248 201 V C 2.914 179.016 176.094 0.013 0.000 1.055 201 V CA 1.727 63.991 62.300 -0.061 0.000 1.038 201 V CB -1.709 29.994 31.823 -0.200 0.000 0.651 201 V HN 0.687 nan 8.190 nan 0.000 0.450 202 A N 0.495 123.277 122.820 -0.063 0.000 1.837 202 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 202 A C 2.208 179.777 177.584 -0.025 0.000 1.210 202 A CA 2.310 54.310 52.037 -0.061 0.000 0.632 202 A CB -0.834 18.118 19.000 -0.080 0.000 0.843 202 A HN 0.478 nan 8.150 nan 0.000 0.448 203 L N -0.722 120.510 121.223 0.015 0.000 2.079 203 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 203 L C 2.640 179.589 176.870 0.133 0.000 1.081 203 L CA 1.835 56.715 54.840 0.065 0.000 0.752 203 L CB -0.801 41.317 42.059 0.099 0.000 0.896 203 L HN 0.523 nan 8.230 nan 0.000 0.433 204 E N -0.581 119.737 120.200 0.197 0.000 2.106 204 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 204 E C 2.328 179.155 176.600 0.379 0.000 0.984 204 E CA 1.553 58.131 56.400 0.297 0.000 0.806 204 E CB -0.151 29.760 29.700 0.352 0.000 0.750 204 E HN 0.567 nan 8.360 nan 0.000 0.458 205 C N 0.702 120.130 119.300 0.213 0.000 2.476 205 C HA 0.013 4.473 4.460 -0.001 0.000 0.278 205 C C 2.934 177.679 174.990 -0.407 0.000 1.274 205 C CA 0.595 59.524 59.018 -0.149 0.000 1.713 205 C CB -0.890 26.811 27.740 -0.065 0.000 2.039 205 C HN 0.509 nan 8.230 nan 0.000 0.484 206 A N 1.249 123.969 122.820 -0.166 0.000 1.892 206 A HA -0.023 4.296 4.320 -0.001 0.000 0.218 206 A C 2.329 179.864 177.584 -0.081 0.000 1.188 206 A CA 2.384 54.332 52.037 -0.148 0.000 0.631 206 A CB -1.447 17.486 19.000 -0.112 0.000 0.822 206 A HN 0.555 nan 8.150 nan 0.000 0.447 207 G N 0.153 108.977 108.800 0.041 0.000 2.679 207 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 207 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 207 G C 1.419 176.453 174.900 0.223 0.000 1.267 207 G CA 1.618 46.826 45.100 0.180 0.000 0.799 207 G HN 0.926 nan 8.290 nan 0.000 0.606 208 F N 0.436 120.508 119.950 0.204 0.000 2.293 208 F HA 0.209 4.735 4.527 -0.001 0.000 0.300 208 F C 2.261 178.167 175.800 0.176 0.000 1.086 208 F CA 0.590 58.706 58.000 0.192 0.000 1.375 208 F CB -0.456 38.669 39.000 0.208 0.000 1.045 208 F HN 0.080 nan 8.300 nan 0.000 0.516 209 L N 0.837 121.928 121.223 -0.220 0.000 2.027 209 L HA -0.106 4.233 4.340 -0.001 0.000 0.206 209 L C 3.048 179.959 176.870 0.068 0.000 1.074 209 L CA 1.161 55.973 54.840 -0.046 0.000 0.745 209 L CB -1.083 40.855 42.059 -0.202 0.000 0.898 209 L HN 0.351 nan 8.230 nan 0.000 0.433 210 A N 0.449 123.286 122.820 0.028 0.000 1.892 210 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 210 A C 2.340 179.981 177.584 0.095 0.000 1.188 210 A CA 1.895 53.968 52.037 0.059 0.000 0.631 210 A CB -1.428 17.611 19.000 0.066 0.000 0.822 210 A HN 0.470 nan 8.150 nan 0.000 0.447 211 G N 0.326 109.202 108.800 0.126 0.000 2.516 211 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.221 211 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.221 211 G C 1.230 176.183 174.900 0.088 0.000 1.107 211 G CA 1.166 46.334 45.100 0.113 0.000 0.747 211 G HN 0.924 nan 8.290 nan 0.000 0.567 212 I N -3.742 116.917 120.570 0.147 0.000 3.941 212 I HA 0.534 4.704 4.170 -0.001 0.000 0.335 212 I C 1.334 177.569 176.117 0.197 0.000 1.402 212 I CA 0.241 61.635 61.300 0.157 0.000 1.112 212 I CB 0.227 38.439 38.000 0.354 0.000 1.043 212 I HN 0.122 nan 8.210 nan 0.000 0.395 213 G N 1.882 110.764 108.800 0.136 0.000 2.159 213 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.227 213 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.227 213 G C -0.031 174.926 174.900 0.096 0.000 0.986 213 G CA -0.266 44.900 45.100 0.110 0.000 0.651 213 G HN 0.332 nan 8.290 nan 0.000 0.523 214 L N 1.367 122.649 121.223 0.098 0.000 2.326 214 L HA 0.354 4.693 4.340 -0.001 0.000 0.278 214 L C 0.428 177.310 176.870 0.018 0.000 1.092 214 L CA -0.807 54.065 54.840 0.053 0.000 0.810 214 L CB 0.918 43.005 42.059 0.047 0.000 1.153 214 L HN 0.117 nan 8.230 nan 0.000 0.439 215 D N 3.098 123.502 120.400 0.006 0.000 2.389 215 D HA 0.112 4.751 4.640 -0.001 0.000 0.263 215 D C -0.866 175.402 176.300 -0.054 0.000 1.255 215 D CA 0.154 54.149 54.000 -0.007 0.000 0.914 215 D CB 0.878 41.682 40.800 0.007 0.000 1.116 215 D HN 0.079 nan 8.370 nan 0.000 0.502 216 V N 3.795 123.671 119.914 -0.064 0.000 2.604 216 V HA 0.407 4.526 4.120 -0.001 0.000 0.305 216 V C 0.377 176.374 176.094 -0.162 0.000 1.043 216 V CA -0.649 61.573 62.300 -0.130 0.000 0.888 216 V CB 2.284 34.045 31.823 -0.103 0.000 0.995 216 V HN 0.538 nan 8.190 nan 0.000 0.429 217 T N 3.149 117.528 114.554 -0.291 0.000 2.908 217 T HA 0.737 5.086 4.350 -0.001 0.000 0.290 217 T C -0.855 173.637 174.700 -0.347 0.000 1.034 217 T CA -0.591 61.333 62.100 -0.293 0.000 1.010 217 T CB 2.134 70.779 68.868 -0.371 0.000 1.068 217 T HN 0.350 nan 8.240 nan 0.000 0.481 218 V N 2.848 122.531 119.914 -0.386 0.000 2.525 218 V HA 0.444 4.564 4.120 -0.001 0.000 0.299 218 V C -0.558 175.329 176.094 -0.344 0.000 1.034 218 V CA -0.720 61.290 62.300 -0.484 0.000 0.863 218 V CB 1.707 32.973 31.823 -0.928 0.000 0.999 218 V HN 0.833 nan 8.190 nan 0.000 0.423 219 M N 5.062 124.541 119.600 -0.201 0.000 2.238 219 M HA 0.622 5.101 4.480 -0.001 0.000 0.350 219 M C -1.054 175.213 176.300 -0.055 0.000 1.138 219 M CA -0.698 54.557 55.300 -0.074 0.000 1.040 219 M CB 1.854 34.461 32.600 0.011 0.000 1.639 219 M HN 0.385 nan 8.290 nan 0.000 0.451 220 V N 3.278 123.194 119.914 0.003 0.000 2.483 220 V HA 0.358 4.477 4.120 -0.001 0.000 0.297 220 V C 0.758 176.896 176.094 0.073 0.000 1.027 220 V CA -0.830 61.486 62.300 0.026 0.000 0.855 220 V CB 1.450 33.299 31.823 0.043 0.000 0.995 220 V HN 0.942 nan 8.190 nan 0.000 0.424 221 R N 2.916 123.452 120.500 0.060 0.000 2.147 221 R HA -0.126 4.213 4.340 -0.001 0.000 0.225 221 R C 1.789 178.133 176.300 0.074 0.000 1.120 221 R CA 2.498 58.639 56.100 0.067 0.000 0.891 221 R CB -0.175 30.153 30.300 0.047 0.000 0.822 221 R HN 0.734 nan 8.270 nan 0.000 0.433 222 S N -0.708 115.029 115.700 0.062 0.000 3.769 222 S HA 0.309 4.779 4.470 -0.001 0.000 0.183 222 S C 0.662 175.302 174.600 0.067 0.000 0.903 222 S CA -0.204 58.034 58.200 0.063 0.000 1.413 222 S CB -0.263 62.968 63.200 0.053 0.000 0.753 222 S HN 0.359 nan 8.310 nan 0.000 0.773 223 I N 1.183 121.792 120.570 0.064 0.000 2.713 223 I HA 0.465 4.634 4.170 -0.001 0.000 0.300 223 I C -0.886 175.279 176.117 0.080 0.000 1.009 223 I CA -0.787 60.553 61.300 0.068 0.000 1.305 223 I CB 0.526 38.564 38.000 0.063 0.000 1.430 223 I HN 0.378 nan 8.210 nan 0.000 0.546 224 L N 4.874 126.147 121.223 0.082 0.000 2.371 224 L HA 0.302 4.641 4.340 -0.001 0.000 0.272 224 L C 0.240 177.167 176.870 0.096 0.000 1.124 224 L CA -0.854 54.039 54.840 0.088 0.000 0.816 224 L CB 0.898 43.011 42.059 0.089 0.000 1.129 224 L HN 0.653 nan 8.230 nan 0.000 0.448 225 L N 2.457 123.743 121.223 0.104 0.000 3.887 225 L HA -0.240 4.099 4.340 -0.001 0.000 0.546 225 L C 0.740 177.815 176.870 0.342 0.000 1.196 225 L CA 0.206 55.157 54.840 0.186 0.000 0.777 225 L CB -1.391 40.629 42.059 -0.065 0.000 1.346 225 L HN 0.741 nan 8.230 nan 0.000 0.810 226 R N 1.250 121.903 120.500 0.255 0.000 2.538 226 R HA 0.284 4.623 4.340 -0.001 0.000 0.282 226 R C 1.406 177.857 176.300 0.251 0.000 1.009 226 R CA 1.254 57.476 56.100 0.204 0.000 1.063 226 R CB 0.464 30.844 30.300 0.133 0.000 0.945 226 R HN 0.598 nan 8.270 nan 0.000 0.414 227 G N 3.505 112.414 108.800 0.182 0.000 2.397 227 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.211 227 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.211 227 G C -0.027 174.910 174.900 0.061 0.000 1.077 227 G CA -0.141 45.008 45.100 0.082 0.000 0.649 227 G HN 0.517 nan 8.290 nan 0.000 0.511 228 F N 2.137 122.171 119.950 0.140 0.000 2.368 228 F HA 0.472 4.999 4.527 -0.001 0.000 0.308 228 F C 1.020 176.905 175.800 0.142 0.000 1.198 228 F CA -0.007 58.104 58.000 0.186 0.000 1.130 228 F CB 0.371 39.522 39.000 0.251 0.000 1.300 228 F HN 0.044 nan 8.300 nan 0.000 0.537 229 D N 1.334 121.970 120.400 0.394 0.000 2.434 229 D HA -0.076 4.563 4.640 -0.001 0.000 0.252 229 D C 0.634 176.973 176.300 0.065 0.000 1.185 229 D CA -0.006 54.071 54.000 0.128 0.000 0.886 229 D CB 1.063 41.819 40.800 -0.072 0.000 1.148 229 D HN 0.433 nan 8.370 nan 0.000 0.483 230 Q N 3.043 122.860 119.800 0.027 0.000 2.119 230 Q HA -0.141 4.199 4.340 -0.001 0.000 0.201 230 Q C 1.296 177.247 176.000 -0.081 0.000 0.972 230 Q CA 1.040 56.842 55.803 -0.001 0.000 0.847 230 Q CB -0.185 28.558 28.738 0.009 0.000 0.903 230 Q HN 0.661 nan 8.270 nan 0.000 0.433 231 D N -0.078 120.246 120.400 -0.126 0.000 2.097 231 D HA -0.146 4.493 4.640 -0.001 0.000 0.195 231 D C 1.727 177.855 176.300 -0.287 0.000 0.989 231 D CA 1.086 54.968 54.000 -0.196 0.000 0.827 231 D CB 0.130 40.798 40.800 -0.218 0.000 0.966 231 D HN 0.007 nan 8.370 nan 0.000 0.456 232 M N 0.647 120.049 119.600 -0.330 0.000 2.108 232 M HA -0.076 4.404 4.480 -0.001 0.000 0.261 232 M C 2.396 178.422 176.300 -0.458 0.000 1.066 232 M CA 1.411 56.409 55.300 -0.503 0.000 1.107 232 M CB -1.569 30.648 32.600 -0.639 0.000 1.356 232 M HN 0.157 nan 8.290 nan 0.000 0.406 233 A N 1.127 123.780 122.820 -0.279 0.000 1.865 233 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 233 A C 2.047 179.545 177.584 -0.143 0.000 1.191 233 A CA 2.039 53.971 52.037 -0.175 0.000 0.623 233 A CB -0.950 18.019 19.000 -0.052 0.000 0.826 233 A HN 0.550 nan 8.150 nan 0.000 0.444 234 N N 0.181 118.800 118.700 -0.134 0.000 2.094 234 N HA -0.183 4.557 4.740 -0.001 0.000 0.191 234 N C 1.614 177.038 175.510 -0.143 0.000 1.023 234 N CA 1.626 54.604 53.050 -0.120 0.000 0.857 234 N CB -0.377 38.040 38.487 -0.118 0.000 1.013 234 N HN 0.520 nan 8.380 nan 0.000 0.426 235 K N 0.968 121.253 120.400 -0.192 0.000 2.103 235 K HA -0.058 4.262 4.320 -0.001 0.000 0.207 235 K C 2.172 178.708 176.600 -0.107 0.000 1.048 235 K CA 0.828 57.010 56.287 -0.176 0.000 0.930 235 K CB -0.226 32.105 32.500 -0.283 0.000 0.716 235 K HN 0.320 nan 8.250 nan 0.000 0.444 236 I N 0.076 120.568 120.570 -0.130 0.000 2.315 236 I HA -0.139 4.031 4.170 -0.001 0.000 0.248 236 I C 2.497 178.622 176.117 0.014 0.000 1.117 236 I CA 1.255 62.526 61.300 -0.048 0.000 1.404 236 I CB -0.972 36.986 38.000 -0.070 0.000 1.071 236 I HN 0.170 nan 8.210 nan 0.000 0.419 237 G N 0.863 109.632 108.800 -0.050 0.000 2.434 237 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.214 237 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.214 237 G C 1.470 176.207 174.900 -0.272 0.000 1.202 237 G CA 0.409 45.419 45.100 -0.150 0.000 0.788 237 G HN 0.364 nan 8.290 nan 0.000 0.539 238 E N -0.341 119.734 120.200 -0.208 0.000 2.136 238 E HA -0.302 4.048 4.350 -0.001 0.000 0.208 238 E C 2.184 178.677 176.600 -0.177 0.000 1.035 238 E CA 1.444 57.723 56.400 -0.200 0.000 0.838 238 E CB -0.342 29.279 29.700 -0.132 0.000 0.748 238 E HN 0.569 nan 8.360 nan 0.000 0.459 239 H N 0.265 119.240 119.070 -0.159 0.000 2.389 239 H HA -0.044 4.511 4.556 -0.001 0.000 0.299 239 H C 2.078 177.359 175.328 -0.078 0.000 1.081 239 H CA 1.368 57.350 56.048 -0.111 0.000 1.345 239 H CB 0.010 29.767 29.762 -0.009 0.000 1.393 239 H HN 0.168 nan 8.280 nan 0.000 0.520 240 M N 0.241 119.853 119.600 0.019 0.000 2.132 240 M HA -0.135 4.344 4.480 -0.001 0.000 0.263 240 M C 2.432 178.684 176.300 -0.081 0.000 1.065 240 M CA 1.742 57.084 55.300 0.071 0.000 1.122 240 M CB -0.190 32.547 32.600 0.228 0.000 1.365 240 M HN 0.260 nan 8.290 nan 0.000 0.411 241 E N 0.956 120.976 120.200 -0.300 0.000 2.038 241 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 241 E C 1.698 178.158 176.600 -0.233 0.000 1.000 241 E CA 1.608 57.823 56.400 -0.308 0.000 0.803 241 E CB 0.035 29.467 29.700 -0.446 0.000 0.750 241 E HN 0.462 nan 8.360 nan 0.000 0.448 242 E N -0.733 119.265 120.200 -0.337 0.000 2.209 242 E HA -0.179 4.170 4.350 -0.001 0.000 0.196 242 E C 0.713 177.029 176.600 -0.474 0.000 0.993 242 E CA 0.766 56.906 56.400 -0.434 0.000 0.819 242 E CB -0.065 29.287 29.700 -0.581 0.000 0.745 242 E HN 0.418 nan 8.360 nan 0.000 0.477 243 H N -1.156 117.768 119.070 -0.243 0.000 2.539 243 H HA 0.253 4.809 4.556 -0.001 0.000 0.293 243 H C 1.006 176.286 175.328 -0.080 0.000 1.156 243 H CA 0.588 56.526 56.048 -0.185 0.000 1.012 243 H CB 0.719 30.327 29.762 -0.256 0.000 1.600 243 H HN 0.327 nan 8.280 nan 0.000 0.538 244 G N 0.562 109.380 108.800 0.029 0.000 2.604 244 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.205 244 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.205 244 G C 0.387 175.321 174.900 0.055 0.000 1.186 244 G CA -0.289 44.836 45.100 0.042 0.000 0.753 244 G HN 0.326 nan 8.290 nan 0.000 0.526 245 I N 2.316 122.945 120.570 0.099 0.000 2.826 245 I HA 0.186 4.355 4.170 -0.001 0.000 0.295 245 I C 0.730 176.990 176.117 0.238 0.000 1.213 245 I CA 0.739 62.140 61.300 0.168 0.000 1.436 245 I CB 0.670 38.833 38.000 0.272 0.000 1.348 245 I HN 0.143 nan 8.210 nan 0.000 0.570 246 K N 5.858 126.374 120.400 0.195 0.000 2.185 246 K HA 0.527 4.847 4.320 -0.001 0.000 0.269 246 K C -1.167 175.602 176.600 0.281 0.000 0.987 246 K CA -0.486 55.922 56.287 0.202 0.000 0.865 246 K CB 1.077 33.611 32.500 0.057 0.000 1.090 246 K HN 0.199 nan 8.250 nan 0.000 0.450 247 F N 3.051 122.963 119.950 -0.064 0.000 2.538 247 F HA 0.544 5.070 4.527 -0.001 0.000 0.325 247 F C 0.084 175.838 175.800 -0.077 0.000 1.066 247 F CA -1.052 56.910 58.000 -0.063 0.000 0.946 247 F CB 1.238 40.206 39.000 -0.052 0.000 1.199 247 F HN 0.198 nan 8.300 nan 0.000 0.473 248 I N 3.800 124.403 120.570 0.055 0.000 2.500 248 I HA 0.366 4.535 4.170 -0.001 0.000 0.286 248 I C -0.703 175.403 176.117 -0.019 0.000 1.063 248 I CA -0.904 60.360 61.300 -0.060 0.000 1.062 248 I CB 1.509 39.440 38.000 -0.115 0.000 1.223 248 I HN 0.367 nan 8.210 nan 0.000 0.435 249 R N 4.122 124.612 120.500 -0.018 0.000 2.536 249 R HA 0.457 4.796 4.340 -0.001 0.000 0.279 249 R C -0.317 176.059 176.300 0.126 0.000 1.001 249 R CA -0.952 55.185 56.100 0.061 0.000 1.027 249 R CB 0.689 31.029 30.300 0.067 0.000 1.096 249 R HN 0.503 nan 8.270 nan 0.000 0.502 250 Q N 0.296 120.200 119.800 0.174 0.000 2.453 250 Q HA -0.200 4.139 4.340 -0.001 0.000 0.350 250 Q C -1.498 174.802 176.000 0.500 0.000 1.447 250 Q CA 0.963 56.912 55.803 0.243 0.000 0.968 250 Q CB -1.327 27.531 28.738 0.200 0.000 1.175 250 Q HN 0.438 nan 8.270 nan 0.000 0.354 251 F N -0.958 119.005 119.950 0.022 0.000 2.991 251 F HA 0.381 4.908 4.527 -0.001 0.000 0.355 251 F C -0.504 175.307 175.800 0.019 0.000 1.262 251 F CA -0.962 57.051 58.000 0.022 0.000 1.127 251 F CB 1.309 40.325 39.000 0.027 0.000 1.447 251 F HN -0.069 nan 8.300 nan 0.000 0.584 252 V N 6.120 126.070 119.914 0.061 0.000 2.539 252 V HA 0.515 4.634 4.120 -0.001 0.000 0.292 252 V C -1.938 174.178 176.094 0.036 0.000 1.045 252 V CA -1.733 60.597 62.300 0.049 0.000 0.945 252 V CB 1.712 33.544 31.823 0.016 0.000 0.993 252 V HN 0.412 nan 8.190 nan 0.000 0.464 253 P HA 0.341 nan 4.420 nan 0.000 0.276 253 P C 0.264 177.584 177.300 0.033 0.000 1.244 253 P CA -0.101 63.035 63.100 0.060 0.000 0.801 253 P CB 1.273 33.024 31.700 0.085 0.000 1.006 254 I N -2.361 118.224 120.570 0.025 0.000 4.471 254 I HA 0.412 4.581 4.170 -0.001 0.000 0.326 254 I C 0.690 176.825 176.117 0.030 0.000 1.300 254 I CA 0.016 61.325 61.300 0.016 0.000 1.237 254 I CB 0.244 38.239 38.000 -0.008 0.000 1.195 254 I HN 0.246 nan 8.210 nan 0.000 0.427 255 K N 1.559 121.983 120.400 0.040 0.000 2.578 255 K HA 0.614 4.933 4.320 -0.001 0.000 0.269 255 K C -2.021 174.613 176.600 0.056 0.000 0.941 255 K CA -0.502 55.815 56.287 0.050 0.000 0.847 255 K CB 3.240 35.759 32.500 0.031 0.000 1.397 255 K HN -0.104 nan 8.250 nan 0.000 0.422 256 V N 3.178 123.144 119.914 0.087 0.000 2.483 256 V HA 0.409 4.528 4.120 -0.001 0.000 0.297 256 V C -1.133 174.963 176.094 0.003 0.000 1.027 256 V CA -0.732 61.610 62.300 0.069 0.000 0.855 256 V CB 1.543 33.460 31.823 0.156 0.000 0.995 256 V HN 0.801 nan 8.190 nan 0.000 0.424 257 E N 3.457 123.560 120.200 -0.161 0.000 2.210 257 E HA 0.434 4.783 4.350 -0.001 0.000 0.266 257 E C -0.856 175.432 176.600 -0.520 0.000 0.883 257 E CA -0.833 55.367 56.400 -0.334 0.000 0.761 257 E CB 2.581 32.183 29.700 -0.163 0.000 1.156 257 E HN 0.687 nan 8.360 nan 0.000 0.412 258 Q N 3.731 122.988 119.800 -0.904 0.000 2.286 258 Q HA 0.095 4.434 4.340 -0.001 0.000 0.265 258 Q C 0.077 175.903 176.000 -0.290 0.000 1.080 258 Q CA 0.118 55.545 55.803 -0.627 0.000 0.906 258 Q CB 0.350 28.678 28.738 -0.684 0.000 1.227 258 Q HN 0.699 nan 8.270 nan 0.000 0.409 259 I N 3.283 123.731 120.570 -0.204 0.000 3.735 259 I HA 0.143 4.312 4.170 -0.001 0.000 0.310 259 I C 0.225 176.282 176.117 -0.100 0.000 1.270 259 I CA 0.322 61.542 61.300 -0.133 0.000 1.207 259 I CB -0.107 37.823 38.000 -0.117 0.000 1.013 259 I HN 0.736 nan 8.210 nan 0.000 0.452 260 E N 0.354 120.493 120.200 -0.101 0.000 2.412 260 E HA 0.494 4.844 4.350 -0.001 0.000 0.283 260 E C -1.866 174.697 176.600 -0.061 0.000 1.160 260 E CA -0.525 55.833 56.400 -0.070 0.000 0.918 260 E CB 0.905 30.564 29.700 -0.068 0.000 1.194 260 E HN 0.028 nan 8.360 nan 0.000 0.428 261 A N 1.354 124.151 122.820 -0.038 0.000 2.337 261 A HA 1.034 5.354 4.320 -0.001 0.000 0.331 261 A C 0.132 177.683 177.584 -0.054 0.000 1.137 261 A CA 0.165 52.188 52.037 -0.025 0.000 0.807 261 A CB 1.636 20.644 19.000 0.014 0.000 1.250 261 A HN 1.034 nan 8.150 nan 0.000 0.468 262 G N -0.888 107.862 108.800 -0.084 0.000 2.324 262 G HA2 0.504 4.464 3.960 -0.001 0.000 0.293 262 G HA3 0.504 4.464 3.960 -0.001 0.000 0.293 262 G C -0.460 174.277 174.900 -0.273 0.000 1.297 262 G CA 0.235 45.257 45.100 -0.130 0.000 0.853 262 G HN 1.622 nan 8.290 nan 0.000 0.535 263 T N 0.343 114.711 114.554 -0.310 0.000 3.375 263 T HA 0.700 5.050 4.350 -0.001 0.000 0.363 263 T C -1.856 172.496 174.700 -0.579 0.000 1.837 263 T CA -0.929 60.824 62.100 -0.579 0.000 1.445 263 T CB 1.051 69.837 68.868 -0.136 0.000 1.089 263 T HN 0.549 nan 8.240 nan 0.000 0.722 264 P HA 0.640 nan 4.420 nan 0.000 0.304 264 P C 0.509 177.594 177.300 -0.358 0.000 1.310 264 P CA -0.395 62.233 63.100 -0.787 0.000 0.796 264 P CB 1.314 32.642 31.700 -0.621 0.000 1.297 265 G N -0.162 108.488 108.800 -0.250 0.000 2.574 265 G HA2 0.535 4.495 3.960 -0.001 0.000 0.248 265 G HA3 0.535 4.495 3.960 -0.001 0.000 0.248 265 G C -0.627 174.207 174.900 -0.111 0.000 1.422 265 G CA -0.809 44.206 45.100 -0.140 0.000 1.051 265 G HN 0.490 nan 8.290 nan 0.000 0.560 266 R N -0.741 119.703 120.500 -0.093 0.000 2.514 266 R HA 0.507 4.846 4.340 -0.001 0.000 0.296 266 R C -1.749 174.488 176.300 -0.104 0.000 1.012 266 R CA -0.618 55.431 56.100 -0.085 0.000 0.897 266 R CB 1.774 32.023 30.300 -0.084 0.000 1.184 266 R HN 0.193 nan 8.270 nan 0.000 0.440 267 L N 1.414 122.580 121.223 -0.096 0.000 2.301 267 L HA 0.614 4.954 4.340 -0.001 0.000 0.264 267 L C -0.142 176.642 176.870 -0.144 0.000 1.016 267 L CA -0.913 53.848 54.840 -0.132 0.000 0.821 267 L CB 1.405 43.410 42.059 -0.091 0.000 1.346 267 L HN 0.493 nan 8.230 nan 0.000 0.429 268 R N 0.418 120.826 120.500 -0.154 0.000 2.439 268 R HA 0.784 5.123 4.340 -0.001 0.000 0.310 268 R C -1.890 174.347 176.300 -0.105 0.000 0.955 268 R CA -0.468 55.539 56.100 -0.154 0.000 0.853 268 R CB 1.557 31.776 30.300 -0.135 0.000 1.171 268 R HN 0.472 nan 8.270 nan 0.000 0.449 269 V N 5.073 124.925 119.914 -0.102 0.000 2.435 269 V HA 0.395 4.514 4.120 -0.001 0.000 0.290 269 V C -0.312 175.783 176.094 0.002 0.000 1.030 269 V CA -0.768 61.528 62.300 -0.007 0.000 0.881 269 V CB 1.734 33.609 31.823 0.087 0.000 0.983 269 V HN 0.508 nan 8.190 nan 0.000 0.445 270 V N 4.215 124.143 119.914 0.022 0.000 2.384 270 V HA 0.845 4.965 4.120 -0.001 0.000 0.287 270 V C 0.295 176.415 176.094 0.044 0.000 1.020 270 V CA -0.248 62.068 62.300 0.027 0.000 0.850 270 V CB 1.475 33.301 31.823 0.005 0.000 0.987 270 V HN 1.038 nan 8.190 nan 0.000 0.436 271 A N 4.448 127.310 122.820 0.071 0.000 2.413 271 A HA 0.874 5.193 4.320 -0.001 0.000 0.307 271 A C -0.759 176.734 177.584 -0.152 0.000 1.087 271 A CA -0.759 51.300 52.037 0.036 0.000 0.750 271 A CB 1.891 21.007 19.000 0.194 0.000 1.296 271 A HN 0.838 nan 8.150 nan 0.000 0.423 272 Q N 1.144 120.764 119.800 -0.300 0.000 2.333 272 Q HA 0.561 4.901 4.340 -0.001 0.000 0.268 272 Q C 0.019 175.548 176.000 -0.785 0.000 1.007 272 Q CA -0.232 55.281 55.803 -0.484 0.000 0.810 272 Q CB 1.548 30.142 28.738 -0.240 0.000 1.264 272 Q HN 1.100 nan 8.270 nan 0.000 0.452 273 S N 2.392 117.335 115.700 -1.261 0.000 2.563 273 S HA -0.035 4.434 4.470 -0.001 0.000 0.269 273 S C 0.588 175.002 174.600 -0.309 0.000 1.364 273 S CA 0.691 58.339 58.200 -0.920 0.000 1.010 273 S CB 0.876 63.846 63.200 -0.384 0.000 0.877 273 S HN 0.826 nan 8.310 nan 0.000 0.549 274 T N 0.724 115.221 114.554 -0.095 0.000 3.023 274 T HA 0.164 4.513 4.350 -0.001 0.000 0.253 274 T C 1.179 175.874 174.700 -0.009 0.000 1.038 274 T CA 0.498 62.574 62.100 -0.040 0.000 0.962 274 T CB -0.547 68.325 68.868 0.006 0.000 1.018 274 T HN 0.815 nan 8.240 nan 0.000 0.521 275 N N -0.376 118.330 118.700 0.011 0.000 2.332 275 N HA 0.199 4.939 4.740 -0.001 0.000 0.190 275 N C 0.577 176.094 175.510 0.011 0.000 1.117 275 N CA -0.149 52.914 53.050 0.022 0.000 0.883 275 N CB 0.390 38.905 38.487 0.048 0.000 1.089 275 N HN 0.141 nan 8.380 nan 0.000 0.480 276 S N -0.190 115.510 115.700 -0.001 0.000 2.855 276 S HA 0.316 4.785 4.470 -0.001 0.000 0.308 276 S C 0.444 175.017 174.600 -0.044 0.000 1.077 276 S CA -0.428 57.769 58.200 -0.005 0.000 0.896 276 S CB 1.343 64.561 63.200 0.030 0.000 1.339 276 S HN 0.416 nan 8.310 nan 0.000 0.602 277 E N 0.135 120.315 120.200 -0.034 0.000 2.511 277 E HA 0.244 4.593 4.350 -0.001 0.000 0.209 277 E C 0.309 176.873 176.600 -0.060 0.000 0.986 277 E CA -0.205 56.165 56.400 -0.050 0.000 0.974 277 E CB 0.123 29.807 29.700 -0.026 0.000 1.030 277 E HN 0.585 nan 8.360 nan 0.000 0.490 278 E N 1.088 121.267 120.200 -0.035 0.000 2.485 278 E HA -0.016 4.333 4.350 -0.001 0.000 0.266 278 E C -0.471 176.085 176.600 -0.073 0.000 1.090 278 E CA 0.338 56.740 56.400 0.002 0.000 0.987 278 E CB 0.514 30.286 29.700 0.119 0.000 0.974 278 E HN 0.188 nan 8.360 nan 0.000 0.455 279 I N 4.324 124.898 120.570 0.006 0.000 2.607 279 I HA 0.290 4.460 4.170 -0.001 0.000 0.290 279 I C -0.101 176.084 176.117 0.113 0.000 1.129 279 I CA -0.606 60.688 61.300 -0.011 0.000 1.042 279 I CB 1.187 39.174 38.000 -0.022 0.000 1.242 279 I HN 0.493 nan 8.210 nan 0.000 0.421 280 I N 2.157 122.850 120.570 0.205 0.000 2.910 280 I HA 0.765 4.934 4.170 -0.001 0.000 0.310 280 I C -0.642 175.540 176.117 0.108 0.000 1.043 280 I CA -0.520 60.904 61.300 0.207 0.000 1.053 280 I CB 2.371 40.566 38.000 0.324 0.000 1.242 280 I HN 0.473 nan 8.210 nan 0.000 0.452 281 E N 1.669 121.896 120.200 0.045 0.000 2.272 281 E HA 0.757 5.106 4.350 -0.001 0.000 0.269 281 E C -0.851 175.700 176.600 -0.081 0.000 0.877 281 E CA -1.006 55.384 56.400 -0.017 0.000 0.755 281 E CB 2.376 32.056 29.700 -0.033 0.000 1.192 281 E HN 1.020 nan 8.360 nan 0.000 0.422 282 G N 1.563 110.252 108.800 -0.184 0.000 2.718 282 G HA2 0.491 4.450 3.960 -0.001 0.000 0.295 282 G HA3 0.491 4.450 3.960 -0.001 0.000 0.295 282 G C -1.558 172.980 174.900 -0.603 0.000 1.421 282 G CA -0.847 44.021 45.100 -0.386 0.000 0.902 282 G HN 0.499 nan 8.290 nan 0.000 0.501 283 E N 0.156 119.983 120.200 -0.621 0.000 2.176 283 E HA 0.698 5.048 4.350 -0.001 0.000 0.267 283 E C -1.581 174.681 176.600 -0.563 0.000 0.893 283 E CA -0.856 55.244 56.400 -0.500 0.000 0.761 283 E CB 1.699 31.252 29.700 -0.245 0.000 1.133 283 E HN 0.546 nan 8.360 nan 0.000 0.409 284 Y N 1.910 122.186 120.300 -0.041 0.000 2.570 284 Y HA 0.350 4.899 4.550 -0.001 0.000 0.345 284 Y C 0.912 176.781 175.900 -0.052 0.000 1.014 284 Y CA -1.351 56.723 58.100 -0.043 0.000 1.063 284 Y CB 1.623 40.062 38.460 -0.036 0.000 1.272 284 Y HN 0.456 nan 8.280 nan 0.000 0.477 285 N N -0.117 118.657 118.700 0.125 0.000 2.171 285 N HA -0.002 4.738 4.740 -0.001 0.000 0.184 285 N C -0.217 175.310 175.510 0.029 0.000 1.021 285 N CA 1.088 54.150 53.050 0.021 0.000 0.854 285 N CB 0.176 38.646 38.487 -0.028 0.000 0.994 285 N HN 0.568 nan 8.380 nan 0.000 0.426 286 T N -0.512 114.074 114.554 0.054 0.000 2.906 286 T HA 0.618 4.967 4.350 -0.001 0.000 0.295 286 T C -0.984 173.749 174.700 0.056 0.000 1.075 286 T CA -0.591 61.544 62.100 0.058 0.000 1.005 286 T CB 2.887 71.777 68.868 0.038 0.000 1.136 286 T HN -0.343 nan 8.240 nan 0.000 0.498 287 V N 3.122 123.074 119.914 0.063 0.000 2.567 287 V HA 0.505 4.624 4.120 -0.001 0.000 0.298 287 V C -0.404 175.702 176.094 0.020 0.000 1.047 287 V CA -0.855 61.472 62.300 0.046 0.000 0.880 287 V CB 1.457 33.343 31.823 0.106 0.000 1.009 287 V HN 0.958 nan 8.190 nan 0.000 0.429 288 M N 5.959 125.535 119.600 -0.038 0.000 2.472 288 M HA 0.794 5.273 4.480 -0.001 0.000 0.331 288 M C -1.790 174.457 176.300 -0.088 0.000 1.170 288 M CA -0.416 54.843 55.300 -0.068 0.000 1.009 288 M CB 2.006 34.545 32.600 -0.103 0.000 1.672 288 M HN 0.392 nan 8.290 nan 0.000 0.453 289 L N 3.440 124.586 121.223 -0.128 0.000 2.317 289 L HA 0.809 5.149 4.340 -0.001 0.000 0.281 289 L C -0.245 176.527 176.870 -0.164 0.000 1.024 289 L CA -0.816 53.943 54.840 -0.136 0.000 0.810 289 L CB 1.702 43.665 42.059 -0.161 0.000 1.240 289 L HN 1.046 nan 8.230 nan 0.000 0.427 290 A N 3.996 126.740 122.820 -0.127 0.000 3.365 290 A HA 0.394 4.713 4.320 -0.001 0.000 0.258 290 A C 0.502 178.025 177.584 -0.101 0.000 0.964 290 A CA -0.376 51.586 52.037 -0.126 0.000 0.988 290 A CB -0.113 18.814 19.000 -0.121 0.000 1.193 290 A HN 0.804 nan 8.150 nan 0.000 0.508 291 I N -3.203 117.316 120.570 -0.085 0.000 3.956 291 I HA 0.611 4.780 4.170 -0.001 0.000 0.333 291 I C 0.611 176.706 176.117 -0.037 0.000 1.302 291 I CA 0.216 61.488 61.300 -0.048 0.000 1.122 291 I CB 0.351 38.336 38.000 -0.024 0.000 1.013 291 I HN 0.470 nan 8.210 nan 0.000 0.405 292 G N 1.374 110.141 108.800 -0.055 0.000 2.369 292 G HA2 0.294 4.253 3.960 -0.001 0.000 0.293 292 G HA3 0.294 4.253 3.960 -0.001 0.000 0.293 292 G C -1.508 173.375 174.900 -0.030 0.000 1.301 292 G CA -1.150 43.930 45.100 -0.034 0.000 0.913 292 G HN 0.242 nan 8.290 nan 0.000 0.540 293 R N -0.000 120.498 120.500 -0.003 0.000 2.651 293 R HA 0.501 4.841 4.340 -0.001 0.000 0.278 293 R C -1.623 174.694 176.300 0.029 0.000 1.010 293 R CA -0.982 55.125 56.100 0.012 0.000 0.896 293 R CB 2.289 32.600 30.300 0.019 0.000 1.211 293 R HN 0.569 nan 8.270 nan 0.000 0.456 294 D N 1.768 122.192 120.400 0.039 0.000 2.217 294 D HA 0.281 4.920 4.640 -0.001 0.000 0.243 294 D C -0.309 176.017 176.300 0.044 0.000 1.054 294 D CA -0.542 53.483 54.000 0.042 0.000 0.838 294 D CB 1.976 42.806 40.800 0.049 0.000 1.162 294 D HN 0.550 nan 8.370 nan 0.000 0.472 295 A N 1.342 124.184 122.820 0.038 0.000 2.520 295 A HA 0.079 4.399 4.320 -0.001 0.000 0.245 295 A C 0.665 178.272 177.584 0.037 0.000 1.072 295 A CA -0.384 51.674 52.037 0.035 0.000 0.761 295 A CB 0.007 19.024 19.000 0.027 0.000 1.004 295 A HN 0.781 nan 8.150 nan 0.000 0.499 296 C N 3.228 122.549 119.300 0.035 0.000 3.506 296 C HA 0.208 4.668 4.460 -0.001 0.000 0.578 296 C C 1.858 176.865 174.990 0.028 0.000 1.153 296 C CA 0.500 59.540 59.018 0.036 0.000 1.248 296 C CB -2.467 25.286 27.740 0.023 0.000 1.532 296 C HN 0.910 nan 8.230 nan 0.000 0.646 297 T N -2.817 111.755 114.554 0.030 0.000 3.054 297 T HA 0.070 4.419 4.350 -0.001 0.000 0.255 297 T C 1.809 176.529 174.700 0.034 0.000 1.035 297 T CA -0.048 62.067 62.100 0.025 0.000 0.941 297 T CB 0.025 68.904 68.868 0.020 0.000 1.026 297 T HN 0.401 nan 8.240 nan 0.000 0.533 298 R N 1.747 122.272 120.500 0.043 0.000 2.090 298 R HA 0.201 4.540 4.340 -0.001 0.000 0.228 298 R C 0.346 176.677 176.300 0.051 0.000 1.110 298 R CA 0.800 56.926 56.100 0.043 0.000 0.973 298 R CB -0.299 30.026 30.300 0.042 0.000 0.869 298 R HN 0.243 nan 8.270 nan 0.000 0.440 299 K N 0.917 121.362 120.400 0.076 0.000 3.082 299 K HA 0.264 4.583 4.320 -0.001 0.000 0.203 299 K C 0.882 177.565 176.600 0.138 0.000 1.177 299 K CA 0.008 56.351 56.287 0.093 0.000 1.041 299 K CB 0.191 32.755 32.500 0.107 0.000 1.312 299 K HN 0.207 nan 8.250 nan 0.000 0.526 300 I N -5.654 114.963 120.570 0.079 0.000 4.592 300 I HA 0.417 4.587 4.170 -0.001 0.000 0.329 300 I C 0.911 177.036 176.117 0.013 0.000 1.309 300 I CA -0.241 61.078 61.300 0.031 0.000 1.243 300 I CB 1.168 39.105 38.000 -0.104 0.000 1.241 300 I HN 0.198 nan 8.210 nan 0.000 0.434 301 G N 2.259 111.104 108.800 0.076 0.000 2.151 301 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.140 301 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.140 301 G C 0.519 175.526 174.900 0.177 0.000 1.020 301 G CA 0.098 45.279 45.100 0.135 0.000 0.688 301 G HN 0.273 nan 8.290 nan 0.000 0.500 302 L N 0.041 121.347 121.223 0.139 0.000 2.450 302 L HA -0.100 4.239 4.340 -0.001 0.000 0.225 302 L C 2.609 179.508 176.870 0.047 0.000 1.145 302 L CA 1.916 56.822 54.840 0.111 0.000 0.801 302 L CB -0.290 41.810 42.059 0.068 0.000 0.924 302 L HN 0.442 nan 8.230 nan 0.000 0.447 303 E N -0.743 119.485 120.200 0.046 0.000 2.042 303 E HA -0.144 4.205 4.350 -0.001 0.000 0.189 303 E C 2.028 178.638 176.600 0.016 0.000 0.974 303 E CA 1.337 57.750 56.400 0.023 0.000 0.806 303 E CB -0.972 28.742 29.700 0.023 0.000 0.769 303 E HN 0.359 nan 8.360 nan 0.000 0.451 304 T N -1.326 113.249 114.554 0.035 0.000 3.118 304 T HA -0.070 4.279 4.350 -0.001 0.000 0.269 304 T C 1.455 176.149 174.700 -0.010 0.000 1.166 304 T CA 1.020 63.138 62.100 0.029 0.000 1.073 304 T CB -0.139 68.764 68.868 0.059 0.000 0.884 304 T HN 0.082 nan 8.240 nan 0.000 0.550 305 V N -1.187 118.696 119.914 -0.053 0.000 3.332 305 V HA 0.572 4.691 4.120 -0.001 0.000 0.263 305 V C 1.425 177.442 176.094 -0.127 0.000 1.562 305 V CA 0.680 62.895 62.300 -0.141 0.000 1.040 305 V CB 0.511 32.089 31.823 -0.409 0.000 0.857 305 V HN 0.726 nan 8.190 nan 0.000 0.428 306 G N 0.405 109.151 108.800 -0.089 0.000 2.154 306 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.186 306 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.186 306 G C 0.073 174.914 174.900 -0.097 0.000 1.000 306 G CA 0.141 45.193 45.100 -0.079 0.000 0.664 306 G HN 0.747 nan 8.290 nan 0.000 0.513 307 V N 2.501 122.356 119.914 -0.099 0.000 2.455 307 V HA 0.483 4.602 4.120 -0.001 0.000 0.273 307 V C 0.919 176.984 176.094 -0.048 0.000 1.045 307 V CA 0.086 62.333 62.300 -0.089 0.000 0.976 307 V CB 0.830 32.612 31.823 -0.069 0.000 0.993 307 V HN 0.444 nan 8.190 nan 0.000 0.475 308 K N 7.877 128.246 120.400 -0.051 0.000 2.227 308 K HA 0.609 4.928 4.320 -0.001 0.000 0.280 308 K C -0.267 176.316 176.600 -0.028 0.000 1.041 308 K CA -0.479 55.788 56.287 -0.033 0.000 0.905 308 K CB 1.515 33.996 32.500 -0.033 0.000 1.068 308 K HN 0.691 nan 8.250 nan 0.000 0.470 309 I N -0.550 120.010 120.570 -0.016 0.000 3.540 309 I HA 0.368 4.538 4.170 -0.001 0.000 0.288 309 I C -0.977 175.134 176.117 -0.010 0.000 1.169 309 I CA -1.248 60.044 61.300 -0.012 0.000 1.038 309 I CB 2.019 40.017 38.000 -0.003 0.000 1.338 309 I HN 0.809 nan 8.210 nan 0.000 0.507 310 N N 1.352 120.048 118.700 -0.007 0.000 2.699 310 N HA 0.124 4.863 4.740 -0.001 0.000 0.232 310 N C 0.329 175.840 175.510 0.001 0.000 1.027 310 N CA -0.413 52.634 53.050 -0.005 0.000 0.920 310 N CB 0.720 39.203 38.487 -0.007 0.000 1.148 310 N HN 0.566 nan 8.380 nan 0.000 0.509 311 E N 2.323 122.524 120.200 0.002 0.000 2.147 311 E HA -0.244 4.105 4.350 -0.001 0.000 0.199 311 E C 1.087 177.692 176.600 0.008 0.000 1.005 311 E CA 1.449 57.852 56.400 0.006 0.000 0.810 311 E CB 0.173 29.876 29.700 0.005 0.000 0.736 311 E HN 0.586 nan 8.360 nan 0.000 0.460 312 K N -0.082 120.321 120.400 0.006 0.000 1.977 312 K HA -0.144 4.175 4.320 -0.001 0.000 0.218 312 K C 2.421 179.026 176.600 0.010 0.000 1.051 312 K CA 2.415 58.706 56.287 0.007 0.000 0.953 312 K CB -0.837 31.666 32.500 0.005 0.000 0.727 312 K HN 0.340 nan 8.250 nan 0.000 0.445 313 T N -4.573 109.986 114.554 0.008 0.000 2.781 313 T HA 0.217 4.566 4.350 -0.001 0.000 0.252 313 T C 1.665 176.374 174.700 0.014 0.000 1.039 313 T CA 1.078 63.185 62.100 0.011 0.000 1.147 313 T CB 0.066 68.939 68.868 0.008 0.000 0.865 313 T HN 0.348 nan 8.240 nan 0.000 0.423 314 G N 0.984 109.791 108.800 0.011 0.000 2.901 314 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.194 314 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.194 314 G C 0.240 175.146 174.900 0.010 0.000 1.020 314 G CA -0.279 44.830 45.100 0.014 0.000 0.787 314 G HN 0.495 nan 8.290 nan 0.000 0.477 315 K N 0.442 120.846 120.400 0.006 0.000 2.170 315 K HA 0.465 4.785 4.320 -0.001 0.000 0.241 315 K C 0.281 176.877 176.600 -0.006 0.000 1.071 315 K CA 0.217 56.504 56.287 -0.001 0.000 0.822 315 K CB 0.319 32.813 32.500 -0.009 0.000 1.097 315 K HN 0.377 nan 8.250 nan 0.000 0.522 316 I N 2.010 122.573 120.570 -0.013 0.000 2.468 316 I HA 0.196 4.366 4.170 -0.001 0.000 0.285 316 I C -2.340 173.759 176.117 -0.030 0.000 1.039 316 I CA -2.300 58.990 61.300 -0.017 0.000 1.074 316 I CB 2.200 40.194 38.000 -0.009 0.000 1.228 316 I HN 0.187 nan 8.210 nan 0.000 0.436 317 P HA 0.255 nan 4.420 nan 0.000 0.272 317 P C -0.948 176.324 177.300 -0.045 0.000 1.230 317 P CA -0.148 62.927 63.100 -0.042 0.000 0.788 317 P CB 1.184 32.861 31.700 -0.038 0.000 0.949 318 V N 0.188 120.073 119.914 -0.048 0.000 3.282 318 V HA 0.485 4.604 4.120 -0.001 0.000 0.295 318 V C -0.874 175.202 176.094 -0.031 0.000 1.451 318 V CA -0.455 61.821 62.300 -0.040 0.000 1.062 318 V CB 1.900 33.708 31.823 -0.024 0.000 1.128 318 V HN 0.703 nan 8.190 nan 0.000 0.456 319 T N 0.158 114.706 114.554 -0.010 0.000 2.816 319 T HA 0.305 4.654 4.350 -0.001 0.000 0.282 319 T C 0.684 175.406 174.700 0.037 0.000 0.993 319 T CA 0.315 62.420 62.100 0.008 0.000 0.994 319 T CB 0.756 69.633 68.868 0.014 0.000 1.025 319 T HN 0.983 nan 8.240 nan 0.000 0.529 320 D N -0.701 119.724 120.400 0.042 0.000 2.400 320 D HA -0.107 4.532 4.640 -0.001 0.000 0.242 320 D C 0.701 177.056 176.300 0.092 0.000 1.077 320 D CA 0.487 54.530 54.000 0.071 0.000 0.943 320 D CB -0.250 40.584 40.800 0.058 0.000 0.882 320 D HN 0.847 nan 8.370 nan 0.000 0.529 321 E N -0.384 119.874 120.200 0.097 0.000 2.660 321 E HA 0.085 4.435 4.350 -0.001 0.000 0.216 321 E C -0.449 176.255 176.600 0.174 0.000 0.986 321 E CA -0.260 56.208 56.400 0.114 0.000 1.037 321 E CB 0.455 30.224 29.700 0.116 0.000 1.041 321 E HN 0.033 nan 8.360 nan 0.000 0.480 322 E N 1.096 121.396 120.200 0.168 0.000 2.868 322 E HA -0.234 4.116 4.350 -0.001 0.000 0.278 322 E C -0.282 176.509 176.600 0.318 0.000 1.009 322 E CA 0.680 57.197 56.400 0.195 0.000 0.856 322 E CB -1.296 28.514 29.700 0.183 0.000 1.428 322 E HN 0.318 nan 8.360 nan 0.000 0.423 323 Q N 0.763 120.686 119.800 0.204 0.000 2.257 323 Q HA 0.425 4.764 4.340 -0.001 0.000 0.255 323 Q C 0.686 176.593 176.000 -0.155 0.000 0.920 323 Q CA 0.129 55.883 55.803 -0.082 0.000 0.927 323 Q CB 0.973 29.672 28.738 -0.065 0.000 1.229 323 Q HN 0.275 nan 8.270 nan 0.000 0.433 324 T N 0.397 114.793 114.554 -0.263 0.000 3.051 324 T HA 0.031 4.380 4.350 -0.001 0.000 0.356 324 T C 1.205 175.798 174.700 -0.179 0.000 1.204 324 T CA 0.412 62.403 62.100 -0.183 0.000 0.990 324 T CB 0.025 68.776 68.868 -0.196 0.000 1.628 324 T HN 0.834 nan 8.240 nan 0.000 0.550 325 N N -0.435 118.172 118.700 -0.155 0.000 2.415 325 N HA -0.023 4.716 4.740 -0.001 0.000 0.176 325 N C 0.102 175.517 175.510 -0.157 0.000 1.042 325 N CA 0.222 53.197 53.050 -0.126 0.000 0.902 325 N CB -0.046 38.385 38.487 -0.094 0.000 0.986 325 N HN 0.341 nan 8.380 nan 0.000 0.447 326 V N 3.314 123.085 119.914 -0.237 0.000 2.339 326 V HA 0.194 4.313 4.120 -0.001 0.000 0.261 326 V C -1.465 174.406 176.094 -0.373 0.000 1.058 326 V CA -1.186 60.928 62.300 -0.310 0.000 0.897 326 V CB 1.127 32.652 31.823 -0.497 0.000 1.052 326 V HN -0.015 nan 8.190 nan 0.000 0.480 327 P HA -0.205 nan 4.420 nan 0.000 0.220 327 P C 0.778 178.009 177.300 -0.115 0.000 1.144 327 P CA 1.687 64.695 63.100 -0.153 0.000 0.808 327 P CB -0.102 31.599 31.700 0.000 0.000 0.763 328 Y N -2.205 117.987 120.300 -0.180 0.000 2.481 328 Y HA 0.402 4.951 4.550 -0.001 0.000 0.247 328 Y C 0.453 176.335 175.900 -0.030 0.000 1.151 328 Y CA -1.097 56.953 58.100 -0.085 0.000 1.238 328 Y CB -0.504 37.870 38.460 -0.144 0.000 1.179 328 Y HN -0.184 nan 8.280 nan 0.000 0.524 329 I N -0.645 119.627 120.570 -0.498 0.000 2.436 329 I HA 0.541 4.710 4.170 -0.001 0.000 0.289 329 I C -1.640 174.306 176.117 -0.285 0.000 1.010 329 I CA -1.215 59.930 61.300 -0.258 0.000 1.098 329 I CB 1.175 38.919 38.000 -0.426 0.000 1.266 329 I HN -0.145 nan 8.210 nan 0.000 0.434 330 Y N 3.878 124.195 120.300 0.029 0.000 2.587 330 Y HA 0.860 5.410 4.550 -0.001 0.000 0.337 330 Y C 0.179 176.109 175.900 0.051 0.000 1.065 330 Y CA -0.938 57.178 58.100 0.026 0.000 1.126 330 Y CB 2.293 40.775 38.460 0.036 0.000 1.279 330 Y HN 0.778 nan 8.280 nan 0.000 0.489 331 A N 1.976 124.914 122.820 0.196 0.000 2.455 331 A HA 0.841 5.161 4.320 -0.001 0.000 0.300 331 A C -1.621 176.033 177.584 0.116 0.000 1.040 331 A CA -0.618 51.495 52.037 0.128 0.000 0.697 331 A CB 0.766 19.809 19.000 0.071 0.000 1.265 331 A HN 0.707 nan 8.150 nan 0.000 0.407 332 I N -0.816 119.814 120.570 0.099 0.000 2.569 332 I HA 0.971 5.140 4.170 -0.001 0.000 0.290 332 I C 0.151 176.315 176.117 0.077 0.000 1.088 332 I CA 0.201 61.559 61.300 0.097 0.000 1.047 332 I CB 1.977 40.037 38.000 0.100 0.000 1.237 332 I HN 1.807 nan 8.210 nan 0.000 0.421 333 G N 3.727 112.575 108.800 0.081 0.000 2.315 333 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.296 333 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.296 333 G C -0.441 174.492 174.900 0.055 0.000 1.289 333 G CA -0.067 45.074 45.100 0.067 0.000 0.996 333 G HN 0.595 nan 8.290 nan 0.000 0.487 334 D N -0.033 120.399 120.400 0.052 0.000 2.190 334 D HA -0.130 4.509 4.640 -0.001 0.000 0.200 334 D C 2.487 178.807 176.300 0.034 0.000 0.992 334 D CA 1.676 55.706 54.000 0.050 0.000 0.854 334 D CB -0.189 40.644 40.800 0.056 0.000 0.936 334 D HN 0.684 nan 8.370 nan 0.000 0.462 335 I N -1.803 118.785 120.570 0.029 0.000 3.334 335 I HA -0.008 4.162 4.170 -0.001 0.000 0.282 335 I C 0.183 176.304 176.117 0.006 0.000 1.313 335 I CA 0.051 61.363 61.300 0.020 0.000 1.396 335 I CB -0.421 37.591 38.000 0.020 0.000 1.054 335 I HN -0.162 nan 8.210 nan 0.000 0.495 336 L N 1.577 122.798 121.223 -0.004 0.000 2.453 336 L HA 0.254 4.593 4.340 -0.001 0.000 0.261 336 L C 0.683 177.525 176.870 -0.047 0.000 1.179 336 L CA 0.067 54.886 54.840 -0.035 0.000 0.813 336 L CB 0.454 42.472 42.059 -0.069 0.000 1.110 336 L HN 0.195 nan 8.230 nan 0.000 0.466 337 E N 1.380 121.543 120.200 -0.061 0.000 2.146 337 E HA 0.066 4.415 4.350 -0.001 0.000 0.282 337 E C -0.925 175.626 176.600 -0.081 0.000 0.989 337 E CA -0.324 56.044 56.400 -0.054 0.000 0.799 337 E CB 0.775 30.449 29.700 -0.043 0.000 1.088 337 E HN 0.576 nan 8.360 nan 0.000 0.397 338 D N 2.708 123.067 120.400 -0.068 0.000 2.775 338 D HA -0.148 4.491 4.640 -0.001 0.000 0.235 338 D C -0.467 175.757 176.300 -0.128 0.000 1.120 338 D CA 0.965 54.919 54.000 -0.077 0.000 0.708 338 D CB -0.165 40.593 40.800 -0.070 0.000 1.084 338 D HN 0.386 nan 8.370 nan 0.000 0.434 339 K N -1.334 118.985 120.400 -0.136 0.000 2.041 339 K HA 0.744 5.063 4.320 -0.001 0.000 0.277 339 K C -0.060 176.514 176.600 -0.043 0.000 0.965 339 K CA -0.448 55.717 56.287 -0.204 0.000 1.138 339 K CB 0.575 32.872 32.500 -0.339 0.000 3.194 339 K HN -0.099 nan 8.250 nan 0.000 1.085 340 V N 2.186 122.125 119.914 0.041 0.000 2.482 340 V HA 0.206 4.326 4.120 -0.001 0.000 0.295 340 V C -0.817 175.331 176.094 0.091 0.000 1.026 340 V CA -0.581 61.771 62.300 0.087 0.000 0.856 340 V CB 1.445 33.356 31.823 0.146 0.000 1.001 340 V HN 0.524 nan 8.190 nan 0.000 0.424 341 E N 5.577 125.821 120.200 0.073 0.000 2.261 341 E HA 0.415 4.764 4.350 -0.001 0.000 0.308 341 E C -0.890 175.765 176.600 0.092 0.000 1.400 341 E CA 0.022 56.475 56.400 0.088 0.000 1.542 341 E CB 0.269 30.031 29.700 0.103 0.000 1.369 341 E HN 0.495 nan 8.360 nan 0.000 0.493 342 L N 0.086 121.352 121.223 0.071 0.000 2.381 342 L HA 0.275 4.614 4.340 -0.001 0.000 0.268 342 L C 1.339 178.232 176.870 0.038 0.000 0.997 342 L CA -0.640 54.228 54.840 0.046 0.000 0.818 342 L CB 1.981 44.052 42.059 0.020 0.000 1.310 342 L HN 0.138 nan 8.230 nan 0.000 0.416 343 T N 1.096 115.665 114.554 0.025 0.000 2.699 343 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 343 T C -1.026 173.680 174.700 0.010 0.000 1.036 343 T CA 1.753 63.861 62.100 0.014 0.000 1.147 343 T CB -0.648 68.220 68.868 -0.001 0.000 0.862 343 T HN 0.490 nan 8.240 nan 0.000 0.446 344 P HA -0.003 nan 4.420 nan 0.000 0.218 344 P C 1.588 178.879 177.300 -0.016 0.000 1.149 344 P CA 0.531 63.625 63.100 -0.009 0.000 0.817 344 P CB -0.145 31.544 31.700 -0.017 0.000 0.785 345 V N 0.145 120.056 119.914 -0.004 0.000 2.307 345 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 345 V C 2.453 178.561 176.094 0.024 0.000 1.045 345 V CA 2.137 64.432 62.300 -0.009 0.000 1.024 345 V CB -1.762 30.091 31.823 0.050 0.000 0.651 345 V HN 0.091 nan 8.190 nan 0.000 0.449 346 A N 0.580 123.432 122.820 0.053 0.000 1.859 346 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 346 A C 2.180 179.784 177.584 0.032 0.000 1.198 346 A CA 2.225 54.297 52.037 0.060 0.000 0.629 346 A CB -0.667 18.362 19.000 0.048 0.000 0.830 346 A HN 0.427 nan 8.150 nan 0.000 0.446 347 I N -0.392 120.188 120.570 0.017 0.000 2.194 347 I HA -0.321 3.848 4.170 -0.001 0.000 0.246 347 I C 2.753 178.869 176.117 -0.001 0.000 1.093 347 I CA 2.333 63.640 61.300 0.011 0.000 1.355 347 I CB -1.107 36.899 38.000 0.010 0.000 1.046 347 I HN 0.601 nan 8.210 nan 0.000 0.413 348 Q N 1.251 121.037 119.800 -0.023 0.000 2.020 348 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 348 Q C 2.321 178.294 176.000 -0.045 0.000 0.982 348 Q CA 2.344 58.117 55.803 -0.050 0.000 0.838 348 Q CB -0.237 28.441 28.738 -0.100 0.000 0.899 348 Q HN 0.439 nan 8.270 nan 0.000 0.423 349 A N 0.214 123.013 122.820 -0.035 0.000 1.873 349 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 349 A C 2.350 179.943 177.584 0.016 0.000 1.193 349 A CA 1.937 53.979 52.037 0.009 0.000 0.629 349 A CB -1.707 17.357 19.000 0.106 0.000 0.826 349 A HN 0.616 nan 8.150 nan 0.000 0.447 350 G N -1.132 107.683 108.800 0.024 0.000 2.422 350 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 350 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 350 G C 1.805 176.717 174.900 0.019 0.000 1.146 350 G CA 0.989 46.104 45.100 0.025 0.000 0.769 350 G HN 0.564 nan 8.290 nan 0.000 0.547 351 R N -0.567 119.943 120.500 0.016 0.000 2.075 351 R HA 0.240 4.579 4.340 -0.001 0.000 0.226 351 R C 2.603 178.907 176.300 0.008 0.000 1.114 351 R CA 0.466 56.582 56.100 0.026 0.000 0.972 351 R CB -0.349 29.964 30.300 0.022 0.000 0.869 351 R HN 0.279 nan 8.270 nan 0.000 0.437 352 L N 0.636 121.848 121.223 -0.019 0.000 2.141 352 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 352 L C 2.285 179.113 176.870 -0.069 0.000 1.094 352 L CA 0.589 55.405 54.840 -0.041 0.000 0.763 352 L CB -0.315 41.713 42.059 -0.051 0.000 0.908 352 L HN 0.225 nan 8.230 nan 0.000 0.437 353 L N 0.385 121.565 121.223 -0.072 0.000 1.976 353 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 353 L C 2.701 179.460 176.870 -0.185 0.000 1.071 353 L CA 2.190 56.943 54.840 -0.145 0.000 0.746 353 L CB -0.847 41.127 42.059 -0.143 0.000 0.890 353 L HN 0.146 nan 8.230 nan 0.000 0.432 354 A N -1.057 121.721 122.820 -0.069 0.000 1.927 354 A HA -0.331 3.989 4.320 -0.001 0.000 0.220 354 A C 2.183 179.732 177.584 -0.059 0.000 1.185 354 A CA 2.352 54.426 52.037 0.062 0.000 0.639 354 A CB -0.737 18.361 19.000 0.163 0.000 0.820 354 A HN 0.752 nan 8.150 nan 0.000 0.451 355 Q N -1.592 118.130 119.800 -0.131 0.000 2.083 355 Q HA -0.102 4.238 4.340 -0.001 0.000 0.198 355 Q C 2.370 178.222 176.000 -0.247 0.000 0.969 355 Q CA 1.237 56.891 55.803 -0.248 0.000 0.838 355 Q CB -0.150 28.518 28.738 -0.116 0.000 0.900 355 Q HN 0.711 nan 8.270 nan 0.000 0.436 356 R N 0.570 120.948 120.500 -0.204 0.000 2.152 356 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 356 R C 1.975 178.107 176.300 -0.279 0.000 1.117 356 R CA 0.725 56.708 56.100 -0.194 0.000 0.981 356 R CB 0.059 30.265 30.300 -0.156 0.000 0.870 356 R HN 0.205 nan 8.270 nan 0.000 0.451 357 L N -1.103 119.851 121.223 -0.448 0.000 2.062 357 L HA -0.059 4.280 4.340 -0.001 0.000 0.202 357 L C 0.902 177.362 176.870 -0.683 0.000 1.079 357 L CA 0.949 55.343 54.840 -0.744 0.000 0.755 357 L CB -0.079 41.118 42.059 -1.437 0.000 0.913 357 L HN 0.217 nan 8.230 nan 0.000 0.445 358 Y N -1.530 118.638 120.300 -0.220 0.000 2.708 358 Y HA 0.492 5.041 4.550 -0.001 0.000 0.287 358 Y C 0.871 176.506 175.900 -0.442 0.000 1.145 358 Y CA 0.096 58.049 58.100 -0.245 0.000 1.249 358 Y CB 0.014 38.371 38.460 -0.170 0.000 1.152 358 Y HN 0.066 nan 8.280 nan 0.000 0.532 359 A N -0.650 121.959 122.820 -0.352 0.000 2.704 359 A HA 0.555 4.875 4.320 -0.001 0.000 0.260 359 A C 1.689 179.185 177.584 -0.147 0.000 1.144 359 A CA 0.241 52.055 52.037 -0.372 0.000 0.985 359 A CB -0.362 18.208 19.000 -0.716 0.000 1.256 359 A HN 0.580 nan 8.150 nan 0.000 0.598 360 G N 0.158 108.880 108.800 -0.129 0.000 2.168 360 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.263 360 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.263 360 G C 0.609 175.466 174.900 -0.071 0.000 0.977 360 G CA 0.961 46.016 45.100 -0.075 0.000 0.659 360 G HN 1.579 nan 8.290 nan 0.000 0.533 361 S N -0.258 115.383 115.700 -0.099 0.000 2.576 361 S HA 0.483 4.952 4.470 -0.001 0.000 0.272 361 S C 1.526 176.086 174.600 -0.067 0.000 1.352 361 S CA 1.532 59.688 58.200 -0.073 0.000 1.021 361 S CB 0.824 63.973 63.200 -0.084 0.000 0.887 361 S HN 1.461 nan 8.310 nan 0.000 0.542 362 T N 0.252 114.778 114.554 -0.046 0.000 3.231 362 T HA 0.327 4.676 4.350 -0.001 0.000 0.292 362 T C -0.378 174.302 174.700 -0.032 0.000 1.001 362 T CA -0.398 61.680 62.100 -0.037 0.000 0.920 362 T CB -0.446 68.407 68.868 -0.025 0.000 1.140 362 T HN 0.355 nan 8.240 nan 0.000 0.525 363 V N 2.013 121.904 119.914 -0.039 0.000 2.383 363 V HA 0.456 4.575 4.120 -0.001 0.000 0.275 363 V C 0.089 176.161 176.094 -0.037 0.000 1.036 363 V CA -1.093 61.186 62.300 -0.035 0.000 0.889 363 V CB 0.731 32.533 31.823 -0.036 0.000 0.985 363 V HN 0.330 nan 8.190 nan 0.000 0.459 364 K N 2.812 123.196 120.400 -0.026 0.000 2.144 364 K HA 0.432 4.752 4.320 -0.001 0.000 0.270 364 K C -0.088 176.483 176.600 -0.048 0.000 1.005 364 K CA -0.455 55.824 56.287 -0.013 0.000 0.932 364 K CB 1.452 33.962 32.500 0.017 0.000 1.021 364 K HN 0.810 nan 8.250 nan 0.000 0.462 365 C N 3.217 122.474 119.300 -0.072 0.000 2.555 365 C HA 0.084 4.543 4.460 -0.001 0.000 0.385 365 C C 0.270 175.065 174.990 -0.324 0.000 1.296 365 C CA -0.554 58.327 59.018 -0.228 0.000 1.757 365 C CB -0.809 26.731 27.740 -0.333 0.000 2.445 365 C HN 0.715 nan 8.230 nan 0.000 0.571 366 D N 3.876 124.120 120.400 -0.260 0.000 2.343 366 D HA 0.098 4.737 4.640 -0.001 0.000 0.255 366 D C -0.051 176.082 176.300 -0.277 0.000 1.187 366 D CA 0.190 54.089 54.000 -0.169 0.000 0.875 366 D CB 0.406 41.148 40.800 -0.097 0.000 1.136 366 D HN 0.762 nan 8.370 nan 0.000 0.469 367 Y N 1.468 121.762 120.300 -0.009 0.000 2.458 367 Y HA 0.129 4.678 4.550 -0.001 0.000 0.256 367 Y C 0.884 176.776 175.900 -0.013 0.000 1.159 367 Y CA -0.343 57.751 58.100 -0.011 0.000 1.261 367 Y CB 0.484 38.939 38.460 -0.007 0.000 1.119 367 Y HN 0.232 nan 8.280 nan 0.000 0.524 368 E N 1.190 121.445 120.200 0.091 0.000 2.313 368 E HA 0.054 4.403 4.350 -0.001 0.000 0.276 368 E C -0.231 176.382 176.600 0.022 0.000 1.031 368 E CA -0.200 56.235 56.400 0.058 0.000 0.857 368 E CB 0.295 30.023 29.700 0.047 0.000 1.040 368 E HN 0.403 nan 8.360 nan 0.000 0.408 369 N N 0.270 118.982 118.700 0.021 0.000 2.671 369 N HA -0.179 4.560 4.740 -0.001 0.000 0.261 369 N C -0.978 174.512 175.510 -0.033 0.000 1.053 369 N CA -0.102 52.946 53.050 -0.004 0.000 0.732 369 N CB -0.620 37.866 38.487 -0.003 0.000 0.887 369 N HN 0.079 nan 8.380 nan 0.000 0.546 370 V N 1.376 121.272 119.914 -0.030 0.000 2.481 370 V HA 0.499 4.618 4.120 -0.001 0.000 0.286 370 V C -1.334 174.716 176.094 -0.073 0.000 1.042 370 V CA -1.209 61.062 62.300 -0.049 0.000 0.928 370 V CB 1.527 33.336 31.823 -0.023 0.000 0.986 370 V HN 0.190 nan 8.190 nan 0.000 0.462 371 P HA 0.496 nan 4.420 nan 0.000 0.281 371 P C -0.818 176.420 177.300 -0.104 0.000 1.249 371 P CA -0.143 62.880 63.100 -0.129 0.000 0.810 371 P CB 1.463 33.071 31.700 -0.154 0.000 1.008 372 T N -1.676 112.805 114.554 -0.122 0.000 2.792 372 T HA 0.629 4.978 4.350 -0.001 0.000 0.303 372 T C -0.976 173.619 174.700 -0.176 0.000 1.310 372 T CA -0.633 61.403 62.100 -0.107 0.000 1.007 372 T CB 1.394 70.228 68.868 -0.057 0.000 1.335 372 T HN 0.368 nan 8.240 nan 0.000 0.504 373 T N 1.121 115.558 114.554 -0.195 0.000 3.483 373 T HA 0.412 4.761 4.350 -0.001 0.000 0.329 373 T C -0.775 173.652 174.700 -0.454 0.000 1.014 373 T CA -0.598 61.261 62.100 -0.401 0.000 1.056 373 T CB 1.282 69.829 68.868 -0.536 0.000 1.090 373 T HN 0.634 nan 8.240 nan 0.000 0.460 374 V N 4.353 124.049 119.914 -0.363 0.000 2.389 374 V HA 0.281 4.400 4.120 -0.001 0.000 0.264 374 V C -0.081 175.862 176.094 -0.252 0.000 1.049 374 V CA -0.394 61.794 62.300 -0.187 0.000 0.932 374 V CB -0.331 31.439 31.823 -0.089 0.000 1.011 374 V HN 0.842 nan 8.190 nan 0.000 0.475 375 F N 3.556 123.443 119.950 -0.105 0.000 2.705 375 F HA 0.161 4.687 4.527 -0.001 0.000 0.355 375 F C 1.595 177.250 175.800 -0.242 0.000 1.172 375 F CA -0.505 57.324 58.000 -0.286 0.000 1.332 375 F CB -0.957 37.677 39.000 -0.610 0.000 1.621 375 F HN 0.512 nan 8.300 nan 0.000 0.605 376 T N -2.111 112.491 114.554 0.079 0.000 2.766 376 T HA 0.091 4.440 4.350 -0.001 0.000 0.295 376 T C -1.398 173.461 174.700 0.264 0.000 1.024 376 T CA -1.537 60.669 62.100 0.176 0.000 1.018 376 T CB 0.711 69.669 68.868 0.150 0.000 1.002 376 T HN -0.007 nan 8.240 nan 0.000 0.532 377 P HA -0.085 nan 4.420 nan 0.000 0.218 377 P C 0.238 177.688 177.300 0.249 0.000 1.152 377 P CA 0.823 64.129 63.100 0.343 0.000 0.857 377 P CB 0.021 31.927 31.700 0.342 0.000 0.787 378 L N 0.263 121.529 121.223 0.072 0.000 2.313 378 L HA 0.205 4.544 4.340 -0.001 0.000 0.273 378 L C 0.254 177.157 176.870 0.056 0.000 1.028 378 L CA -0.768 54.030 54.840 -0.070 0.000 0.871 378 L CB -0.250 41.450 42.059 -0.598 0.000 1.242 378 L HN -0.090 nan 8.230 nan 0.000 0.434 379 E N 2.894 123.178 120.200 0.141 0.000 2.521 379 E HA -0.061 4.289 4.350 -0.001 0.000 0.269 379 E C -1.179 175.493 176.600 0.119 0.000 1.182 379 E CA 0.514 56.947 56.400 0.055 0.000 1.053 379 E CB 0.378 30.078 29.700 0.001 0.000 1.013 379 E HN 0.494 nan 8.360 nan 0.000 0.470 380 Y N -0.874 119.356 120.300 -0.117 0.000 2.275 380 Y HA 0.415 4.964 4.550 -0.001 0.000 0.319 380 Y C -0.928 174.950 175.900 -0.036 0.000 1.204 380 Y CA -0.462 57.623 58.100 -0.024 0.000 1.136 380 Y CB 0.975 39.422 38.460 -0.021 0.000 1.228 380 Y HN 0.533 nan 8.280 nan 0.000 0.413 381 G N 2.778 111.462 108.800 -0.194 0.000 2.454 381 G HA2 0.923 4.882 3.960 -0.001 0.000 0.329 381 G HA3 0.923 4.882 3.960 -0.001 0.000 0.329 381 G C -1.525 173.215 174.900 -0.266 0.000 1.177 381 G CA -0.450 44.468 45.100 -0.304 0.000 0.951 381 G HN 1.344 nan 8.290 nan 0.000 0.485 382 A N -0.819 121.851 122.820 -0.250 0.000 2.608 382 A HA 0.667 4.986 4.320 -0.001 0.000 0.292 382 A C -1.376 176.113 177.584 -0.159 0.000 1.066 382 A CA -0.475 51.499 52.037 -0.105 0.000 0.676 382 A CB 1.386 20.324 19.000 -0.103 0.000 1.277 382 A HN 1.572 nan 8.150 nan 0.000 0.413 383 C N 0.475 119.675 119.300 -0.167 0.000 2.783 383 C HA 0.893 5.352 4.460 -0.001 0.000 0.312 383 C C 0.759 175.690 174.990 -0.099 0.000 1.182 383 C CA 1.361 60.281 59.018 -0.162 0.000 1.432 383 C CB 0.690 28.274 27.740 -0.260 0.000 1.933 383 C HN 2.919 nan 8.230 nan 0.000 0.473 384 G N 3.913 112.688 108.800 -0.042 0.000 2.615 384 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.218 384 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.218 384 G C -0.674 174.272 174.900 0.078 0.000 1.339 384 G CA -0.315 44.799 45.100 0.023 0.000 0.884 384 G HN 1.040 nan 8.290 nan 0.000 0.559 385 L N 1.196 122.502 121.223 0.138 0.000 2.483 385 L HA 0.371 4.711 4.340 -0.001 0.000 0.276 385 L C 1.809 178.872 176.870 0.323 0.000 1.213 385 L CA 0.292 55.252 54.840 0.199 0.000 0.843 385 L CB 0.607 42.797 42.059 0.218 0.000 1.107 385 L HN 1.033 nan 8.230 nan 0.000 0.487 386 S N 1.006 116.877 115.700 0.286 0.000 2.632 386 S HA 0.068 4.537 4.470 -0.001 0.000 0.267 386 S C 0.843 175.562 174.600 0.198 0.000 1.193 386 S CA -0.328 58.051 58.200 0.298 0.000 1.003 386 S CB 1.160 64.465 63.200 0.174 0.000 1.073 386 S HN 0.743 nan 8.310 nan 0.000 0.553 387 E N 0.785 121.012 120.200 0.045 0.000 2.028 387 E HA -0.175 4.174 4.350 -0.001 0.000 0.190 387 E C 2.076 178.717 176.600 0.069 0.000 0.984 387 E CA 1.144 57.575 56.400 0.052 0.000 0.800 387 E CB -0.332 29.354 29.700 -0.022 0.000 0.758 387 E HN 0.784 nan 8.360 nan 0.000 0.448 388 E N 1.325 121.553 120.200 0.046 0.000 2.035 388 E HA -0.297 4.052 4.350 -0.001 0.000 0.204 388 E C 2.048 178.692 176.600 0.074 0.000 1.025 388 E CA 1.399 57.829 56.400 0.051 0.000 0.835 388 E CB -0.610 29.113 29.700 0.039 0.000 0.764 388 E HN 0.127 nan 8.360 nan 0.000 0.457 389 K N 0.731 121.182 120.400 0.085 0.000 2.218 389 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 389 K C 2.196 178.869 176.600 0.122 0.000 1.046 389 K CA 1.464 57.804 56.287 0.088 0.000 0.933 389 K CB -0.196 32.357 32.500 0.087 0.000 0.728 389 K HN 0.311 nan 8.250 nan 0.000 0.454 390 A N 0.127 123.044 122.820 0.161 0.000 1.897 390 A HA -0.076 4.244 4.320 -0.001 0.000 0.215 390 A C 2.214 179.952 177.584 0.256 0.000 1.181 390 A CA 1.079 53.262 52.037 0.242 0.000 0.620 390 A CB -0.449 18.681 19.000 0.218 0.000 0.821 390 A HN 0.083 nan 8.150 nan 0.000 0.443 391 V N 0.248 120.257 119.914 0.158 0.000 2.287 391 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 391 V C 2.552 178.720 176.094 0.123 0.000 1.053 391 V CA 2.449 64.826 62.300 0.129 0.000 1.027 391 V CB -0.674 31.194 31.823 0.075 0.000 0.646 391 V HN 0.791 nan 8.190 nan 0.000 0.447 392 E N 0.039 120.293 120.200 0.091 0.000 2.110 392 E HA -0.281 4.069 4.350 -0.001 0.000 0.193 392 E C 2.281 178.897 176.600 0.027 0.000 0.988 392 E CA 1.508 57.940 56.400 0.053 0.000 0.804 392 E CB -0.089 29.634 29.700 0.038 0.000 0.745 392 E HN 0.560 nan 8.360 nan 0.000 0.458 393 K N -1.132 119.286 120.400 0.029 0.000 2.305 393 K HA -0.053 4.267 4.320 -0.001 0.000 0.199 393 K C 0.825 177.237 176.600 -0.313 0.000 1.047 393 K CA 0.812 57.000 56.287 -0.164 0.000 0.976 393 K CB 0.197 32.535 32.500 -0.270 0.000 0.765 393 K HN 0.129 nan 8.250 nan 0.000 0.474 394 F N -0.613 119.355 119.950 0.030 0.000 2.747 394 F HA 0.318 4.845 4.527 -0.001 0.000 0.305 394 F C 0.438 176.253 175.800 0.024 0.000 1.065 394 F CA 0.182 58.199 58.000 0.029 0.000 1.230 394 F CB 1.474 40.495 39.000 0.035 0.000 1.027 394 F HN 0.034 nan 8.300 nan 0.000 0.607 395 G N 1.682 110.600 108.800 0.197 0.000 3.225 395 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.686 395 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.686 395 G C 0.414 175.371 174.900 0.094 0.000 1.105 395 G CA -0.134 45.035 45.100 0.115 0.000 0.831 395 G HN 0.194 nan 8.290 nan 0.000 0.578 396 E N 0.918 121.156 120.200 0.064 0.000 2.236 396 E HA -0.301 4.049 4.350 -0.001 0.000 0.205 396 E C 2.256 178.876 176.600 0.034 0.000 1.028 396 E CA 2.169 58.594 56.400 0.042 0.000 0.827 396 E CB 0.048 29.765 29.700 0.028 0.000 0.735 396 E HN 0.843 nan 8.360 nan 0.000 0.470 397 E N 0.051 120.275 120.200 0.040 0.000 2.204 397 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 397 E C 0.664 177.284 176.600 0.033 0.000 0.989 397 E CA 1.024 57.444 56.400 0.033 0.000 0.824 397 E CB -0.289 29.432 29.700 0.036 0.000 0.756 397 E HN 0.326 nan 8.360 nan 0.000 0.477 398 N N 0.888 119.616 118.700 0.047 0.000 2.338 398 N HA 0.245 4.984 4.740 -0.001 0.000 0.251 398 N C -0.176 175.328 175.510 -0.010 0.000 1.199 398 N CA -0.072 52.996 53.050 0.030 0.000 0.879 398 N CB 1.317 39.837 38.487 0.056 0.000 1.159 398 N HN 0.237 nan 8.380 nan 0.000 0.514 399 I N -0.048 120.519 120.570 -0.006 0.000 2.569 399 I HA 0.319 4.488 4.170 -0.001 0.000 0.290 399 I C -1.313 174.779 176.117 -0.041 0.000 1.088 399 I CA -0.481 60.800 61.300 -0.032 0.000 1.047 399 I CB 2.363 40.362 38.000 -0.002 0.000 1.237 399 I HN -0.163 nan 8.210 nan 0.000 0.421 400 E N 5.685 125.846 120.200 -0.065 0.000 2.277 400 E HA 0.553 4.903 4.350 -0.001 0.000 0.266 400 E C -1.525 174.957 176.600 -0.196 0.000 0.901 400 E CA -0.929 55.379 56.400 -0.154 0.000 0.782 400 E CB 3.140 32.707 29.700 -0.221 0.000 1.228 400 E HN 0.364 nan 8.360 nan 0.000 0.424 401 V N 3.109 122.872 119.914 -0.253 0.000 2.376 401 V HA 0.266 4.385 4.120 -0.001 0.000 0.287 401 V C -1.231 174.744 176.094 -0.197 0.000 1.015 401 V CA -0.808 61.408 62.300 -0.139 0.000 0.834 401 V CB 0.278 32.084 31.823 -0.028 0.000 1.001 401 V HN 0.546 nan 8.190 nan 0.000 0.428 402 Y N 4.554 124.915 120.300 0.102 0.000 2.308 402 Y HA 0.683 5.232 4.550 -0.001 0.000 0.329 402 Y C 0.606 176.541 175.900 0.058 0.000 1.111 402 Y CA -0.318 57.812 58.100 0.051 0.000 1.179 402 Y CB 1.040 39.498 38.460 -0.002 0.000 1.201 402 Y HN 0.898 nan 8.280 nan 0.000 0.483 403 H N -1.225 117.808 119.070 -0.062 0.000 2.990 403 H HA 0.845 5.400 4.556 -0.001 0.000 0.343 403 H C -1.171 173.945 175.328 -0.354 0.000 1.270 403 H CA -1.160 54.713 56.048 -0.292 0.000 1.118 403 H CB 2.080 31.636 29.762 -0.344 0.000 1.861 403 H HN 0.532 nan 8.280 nan 0.000 0.544 404 S N 0.295 115.648 115.700 -0.578 0.000 2.595 404 S HA 0.365 4.835 4.470 -0.001 0.000 0.270 404 S C -1.978 172.344 174.600 -0.463 0.000 1.145 404 S CA -0.823 57.119 58.200 -0.430 0.000 0.825 404 S CB 0.671 63.712 63.200 -0.265 0.000 1.107 404 S HN 0.590 nan 8.310 nan 0.000 0.461 405 Y N 1.208 121.450 120.300 -0.097 0.000 2.565 405 Y HA 0.832 5.381 4.550 -0.001 0.000 0.325 405 Y C 0.134 176.134 175.900 0.166 0.000 1.221 405 Y CA -0.189 57.917 58.100 0.009 0.000 1.316 405 Y CB 1.398 39.887 38.460 0.049 0.000 1.404 405 Y HN 0.777 nan 8.280 nan 0.000 0.527 406 F N -1.723 118.358 119.950 0.218 0.000 2.770 406 F HA 0.479 5.006 4.527 -0.001 0.000 0.313 406 F C -2.354 173.587 175.800 0.235 0.000 1.154 406 F CA -1.536 56.544 58.000 0.133 0.000 0.923 406 F CB 1.076 40.068 39.000 -0.014 0.000 1.301 406 F HN 0.407 nan 8.300 nan 0.000 0.449 407 W N 4.132 125.572 121.300 0.233 0.000 2.715 407 W HA 0.710 5.369 4.660 -0.001 0.000 0.331 407 W C -3.165 173.356 176.519 0.003 0.000 1.031 407 W CA -3.345 54.042 57.345 0.071 0.000 1.237 407 W CB 1.773 31.302 29.460 0.116 0.000 1.378 407 W HN 0.383 nan 8.180 nan 0.000 0.454 408 P HA -0.023 nan 4.420 nan 0.000 0.265 408 P C 1.143 178.108 177.300 -0.558 0.000 1.222 408 P CA -0.006 62.783 63.100 -0.519 0.000 0.767 408 P CB 0.663 31.674 31.700 -1.149 0.000 0.801 409 L N 4.689 125.671 121.223 -0.402 0.000 2.103 409 L HA -0.299 4.041 4.340 -0.001 0.000 0.215 409 L C 1.548 178.266 176.870 -0.252 0.000 1.080 409 L CA 2.130 56.748 54.840 -0.370 0.000 0.764 409 L CB -0.649 41.262 42.059 -0.247 0.000 0.890 409 L HN 0.280 nan 8.230 nan 0.000 0.435 410 E N -1.302 118.807 120.200 -0.151 0.000 2.268 410 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 410 E C 1.691 178.435 176.600 0.241 0.000 0.995 410 E CA 1.303 57.752 56.400 0.081 0.000 0.836 410 E CB -0.382 29.354 29.700 0.059 0.000 0.763 410 E HN 0.612 nan 8.360 nan 0.000 0.491 411 W N 0.921 122.202 121.300 -0.031 0.000 2.678 411 W HA 0.031 4.691 4.660 -0.001 0.000 0.256 411 W C 2.149 178.731 176.519 0.105 0.000 1.280 411 W CA 1.283 58.700 57.345 0.121 0.000 1.345 411 W CB -1.150 28.516 29.460 0.343 0.000 1.118 411 W HN 0.199 nan 8.180 nan 0.000 0.629 412 T N -1.668 112.765 114.554 -0.203 0.000 2.674 412 T HA -0.239 4.110 4.350 -0.001 0.000 0.265 412 T C 1.930 176.669 174.700 0.065 0.000 1.039 412 T CA 1.523 63.468 62.100 -0.259 0.000 1.150 412 T CB -0.748 67.682 68.868 -0.730 0.000 0.864 412 T HN 0.077 nan 8.240 nan 0.000 0.427 413 I N 2.281 122.821 120.570 -0.050 0.000 2.163 413 I HA -0.096 4.073 4.170 -0.001 0.000 0.243 413 I C -0.456 175.654 176.117 -0.011 0.000 1.085 413 I CA 1.431 62.639 61.300 -0.154 0.000 1.347 413 I CB -1.007 36.604 38.000 -0.647 0.000 1.044 413 I HN 0.293 nan 8.210 nan 0.000 0.408 414 P HA -0.105 nan 4.420 nan 0.000 0.221 414 P C 0.439 177.856 177.300 0.196 0.000 1.150 414 P CA 0.839 64.058 63.100 0.198 0.000 0.800 414 P CB 0.077 31.952 31.700 0.293 0.000 0.787 415 S N -0.476 115.400 115.700 0.293 0.000 3.727 415 S HA -0.153 4.317 4.470 -0.001 0.000 0.444 415 S C 0.123 174.884 174.600 0.268 0.000 0.867 415 S CA 0.322 58.738 58.200 0.360 0.000 1.324 415 S CB -1.425 61.910 63.200 0.224 0.000 0.890 415 S HN 0.442 nan 8.310 nan 0.000 0.599 416 R N 1.072 121.777 120.500 0.342 0.000 2.869 416 R HA 0.620 4.959 4.340 -0.001 0.000 0.263 416 R C -0.932 175.446 176.300 0.130 0.000 1.066 416 R CA -0.529 55.658 56.100 0.145 0.000 0.960 416 R CB 0.233 30.549 30.300 0.027 0.000 1.221 416 R HN 0.280 nan 8.270 nan 0.000 0.474 417 D N 0.581 120.974 120.400 -0.011 0.000 3.783 417 D HA -0.268 4.371 4.640 -0.001 0.000 0.188 417 D C -0.993 175.288 176.300 -0.031 0.000 1.235 417 D CA 0.954 54.937 54.000 -0.029 0.000 0.815 417 D CB -0.876 39.881 40.800 -0.073 0.000 0.923 417 D HN 0.606 nan 8.370 nan 0.000 0.462 418 N N 1.278 119.758 118.700 -0.367 0.000 2.430 418 N HA 0.212 4.952 4.740 -0.001 0.000 0.298 418 N C 0.403 175.713 175.510 -0.333 0.000 1.130 418 N CA -0.562 52.046 53.050 -0.736 0.000 0.894 418 N CB 0.750 38.429 38.487 -1.347 0.000 1.209 418 N HN 0.221 nan 8.380 nan 0.000 0.503 419 N N 0.310 118.882 118.700 -0.212 0.000 2.741 419 N HA -0.162 4.578 4.740 -0.001 0.000 0.251 419 N C -0.194 175.229 175.510 -0.145 0.000 1.112 419 N CA 0.556 53.456 53.050 -0.251 0.000 0.750 419 N CB -0.419 37.800 38.487 -0.447 0.000 1.119 419 N HN 0.647 nan 8.380 nan 0.000 0.561 420 K N -0.128 120.319 120.400 0.079 0.000 2.172 420 K HA 0.198 4.517 4.320 -0.001 0.000 0.203 420 K C 1.231 177.967 176.600 0.226 0.000 1.040 420 K CA 0.477 56.874 56.287 0.182 0.000 0.974 420 K CB -0.377 32.265 32.500 0.237 0.000 0.857 420 K HN 0.239 nan 8.250 nan 0.000 0.464 421 C N 1.172 120.534 119.300 0.104 0.000 2.758 421 C HA 0.226 4.685 4.460 -0.001 0.000 0.371 421 C C 0.491 175.367 174.990 -0.190 0.000 1.342 421 C CA -0.290 58.557 59.018 -0.285 0.000 2.257 421 C CB -0.768 26.284 27.740 -1.147 0.000 2.621 421 C HN 0.523 nan 8.230 nan 0.000 0.730 422 Y N -0.625 119.446 120.300 -0.382 0.000 2.573 422 Y HA 0.538 5.087 4.550 -0.001 0.000 0.328 422 Y C -0.810 175.086 175.900 -0.006 0.000 1.170 422 Y CA -0.354 57.627 58.100 -0.199 0.000 1.078 422 Y CB 0.478 38.755 38.460 -0.305 0.000 1.341 422 Y HN 0.905 nan 8.280 nan 0.000 0.459 423 A N 4.481 127.145 122.820 -0.260 0.000 2.498 423 A HA 0.895 5.214 4.320 -0.001 0.000 0.298 423 A C -1.796 175.574 177.584 -0.356 0.000 1.075 423 A CA -0.768 51.128 52.037 -0.235 0.000 0.714 423 A CB 1.858 20.416 19.000 -0.736 0.000 1.299 423 A HN 0.748 nan 8.150 nan 0.000 0.407 424 K N 0.483 120.886 120.400 0.005 0.000 2.557 424 K HA 0.690 5.010 4.320 -0.001 0.000 0.257 424 K C -1.278 175.458 176.600 0.226 0.000 0.933 424 K CA -0.529 55.825 56.287 0.111 0.000 0.820 424 K CB 1.360 34.007 32.500 0.246 0.000 1.330 424 K HN 1.049 nan 8.250 nan 0.000 0.432 425 I N -0.430 120.274 120.570 0.224 0.000 2.509 425 I HA 0.607 4.776 4.170 -0.001 0.000 0.293 425 I C -1.247 175.025 176.117 0.258 0.000 1.020 425 I CA -1.344 60.103 61.300 0.246 0.000 1.088 425 I CB 1.426 39.571 38.000 0.241 0.000 1.267 425 I HN 0.511 nan 8.210 nan 0.000 0.430 426 I N 5.523 126.231 120.570 0.230 0.000 2.377 426 I HA 0.473 4.642 4.170 -0.001 0.000 0.293 426 I C -0.488 175.703 176.117 0.123 0.000 0.987 426 I CA 0.018 61.416 61.300 0.163 0.000 1.185 426 I CB 1.516 39.620 38.000 0.172 0.000 1.341 426 I HN 0.705 nan 8.210 nan 0.000 0.455 427 C N 4.117 123.467 119.300 0.084 0.000 2.634 427 C HA 0.498 4.957 4.460 -0.001 0.000 0.313 427 C C 0.077 175.017 174.990 -0.083 0.000 1.198 427 C CA -0.896 58.147 59.018 0.040 0.000 1.605 427 C CB 1.546 29.376 27.740 0.149 0.000 2.196 427 C HN 0.750 nan 8.230 nan 0.000 0.486 428 N N 0.804 119.390 118.700 -0.192 0.000 2.462 428 N HA 0.174 4.914 4.740 -0.001 0.000 0.242 428 N C 1.132 176.550 175.510 -0.153 0.000 1.010 428 N CA -0.092 52.752 53.050 -0.342 0.000 0.939 428 N CB 0.994 39.051 38.487 -0.716 0.000 1.127 428 N HN 0.808 nan 8.380 nan 0.000 0.509 429 T N 1.045 115.548 114.554 -0.084 0.000 2.833 429 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 429 T C 1.332 176.025 174.700 -0.012 0.000 1.054 429 T CA 0.909 62.996 62.100 -0.021 0.000 1.135 429 T CB -0.008 68.860 68.868 0.000 0.000 0.869 429 T HN 0.257 nan 8.240 nan 0.000 0.466 430 K N 1.378 121.769 120.400 -0.015 0.000 2.486 430 K HA 0.121 4.440 4.320 -0.001 0.000 0.194 430 K C 0.292 176.903 176.600 0.018 0.000 1.033 430 K CA 0.461 56.760 56.287 0.020 0.000 1.004 430 K CB -0.221 32.314 32.500 0.059 0.000 0.798 430 K HN 0.479 nan 8.250 nan 0.000 0.495 431 D N 0.606 120.997 120.400 -0.014 0.000 2.634 431 D HA 0.148 4.787 4.640 -0.001 0.000 0.318 431 D C -0.786 175.510 176.300 -0.006 0.000 1.226 431 D CA -0.211 53.789 54.000 -0.001 0.000 0.899 431 D CB -0.259 40.541 40.800 0.000 0.000 1.025 431 D HN -0.111 nan 8.370 nan 0.000 0.501 432 N N 2.296 120.999 118.700 0.005 0.000 2.710 432 N HA -0.269 4.470 4.740 -0.001 0.000 0.249 432 N C -0.508 175.008 175.510 0.009 0.000 1.059 432 N CA 1.233 54.288 53.050 0.009 0.000 0.720 432 N CB -1.048 37.444 38.487 0.009 0.000 0.983 432 N HN 0.718 nan 8.380 nan 0.000 0.544 433 E N -1.234 118.971 120.200 0.007 0.000 2.228 433 E HA -0.335 4.014 4.350 -0.001 0.000 0.213 433 E C 0.018 176.631 176.600 0.021 0.000 1.282 433 E CA 0.682 57.097 56.400 0.026 0.000 0.707 433 E CB -0.537 29.202 29.700 0.066 0.000 1.150 433 E HN 0.470 nan 8.360 nan 0.000 0.362 434 R N 0.185 120.676 120.500 -0.015 0.000 2.594 434 R HA 0.229 4.569 4.340 -0.001 0.000 0.272 434 R C -0.018 176.287 176.300 0.009 0.000 1.074 434 R CA 0.149 56.246 56.100 -0.005 0.000 1.105 434 R CB 0.780 31.068 30.300 -0.021 0.000 1.008 434 R HN 0.152 nan 8.270 nan 0.000 0.472 435 V N 4.213 124.156 119.914 0.048 0.000 2.372 435 V HA 0.166 4.285 4.120 -0.001 0.000 0.261 435 V C 0.905 177.044 176.094 0.075 0.000 1.055 435 V CA -0.420 61.932 62.300 0.087 0.000 0.930 435 V CB 0.866 32.768 31.823 0.131 0.000 1.031 435 V HN 0.745 nan 8.190 nan 0.000 0.479 436 V N 1.611 121.564 119.914 0.065 0.000 3.644 436 V HA 0.683 4.803 4.120 -0.001 0.000 0.267 436 V C 0.890 177.055 176.094 0.118 0.000 1.277 436 V CA 0.721 63.070 62.300 0.081 0.000 1.096 436 V CB -0.266 31.592 31.823 0.059 0.000 0.828 436 V HN 1.121 nan 8.190 nan 0.000 0.446 437 G N -0.020 108.864 108.800 0.139 0.000 2.753 437 G HA2 0.565 4.524 3.960 -0.001 0.000 0.297 437 G HA3 0.565 4.524 3.960 -0.001 0.000 0.297 437 G C -2.016 172.966 174.900 0.137 0.000 1.430 437 G CA -0.509 44.673 45.100 0.138 0.000 1.040 437 G HN 0.203 nan 8.290 nan 0.000 0.530 438 F N 3.292 123.074 119.950 -0.281 0.000 2.518 438 F HA 0.666 5.192 4.527 -0.001 0.000 0.323 438 F C -0.941 174.591 175.800 -0.448 0.000 1.129 438 F CA -0.974 56.873 58.000 -0.256 0.000 0.920 438 F CB 1.570 40.385 39.000 -0.310 0.000 1.160 438 F HN 0.476 nan 8.300 nan 0.000 0.440 439 H N 5.472 124.612 119.070 0.117 0.000 2.689 439 H HA 0.654 5.209 4.556 -0.001 0.000 0.346 439 H C -1.368 174.120 175.328 0.267 0.000 1.037 439 H CA -0.801 55.450 56.048 0.339 0.000 1.234 439 H CB 2.218 32.226 29.762 0.410 0.000 1.572 439 H HN 0.581 nan 8.280 nan 0.000 0.524 440 V N 5.104 125.330 119.914 0.520 0.000 2.686 440 V HA 0.412 4.532 4.120 -0.001 0.000 0.306 440 V C -1.512 174.901 176.094 0.532 0.000 1.065 440 V CA -0.772 61.825 62.300 0.495 0.000 0.894 440 V CB 2.366 34.506 31.823 0.528 0.000 1.004 440 V HN 0.561 nan 8.190 nan 0.000 0.424 441 L N 7.183 128.655 121.223 0.416 0.000 2.319 441 L HA 1.059 5.398 4.340 -0.001 0.000 0.281 441 L C -0.055 176.933 176.870 0.195 0.000 1.005 441 L CA 1.110 56.117 54.840 0.278 0.000 0.828 441 L CB 1.202 43.314 42.059 0.088 0.000 1.227 441 L HN 1.099 nan 8.230 nan 0.000 0.415 442 G N 4.049 112.985 108.800 0.227 0.000 2.315 442 G HA2 0.259 4.218 3.960 -0.001 0.000 0.294 442 G HA3 0.259 4.218 3.960 -0.001 0.000 0.294 442 G C -3.391 171.673 174.900 0.273 0.000 1.300 442 G CA -0.629 44.605 45.100 0.224 0.000 0.843 442 G HN 0.466 nan 8.290 nan 0.000 0.527 443 P HA 0.110 nan 4.420 nan 0.000 0.270 443 P C 0.021 177.448 177.300 0.211 0.000 1.227 443 P CA 0.320 63.583 63.100 0.271 0.000 0.788 443 P CB 0.215 32.071 31.700 0.260 0.000 0.926 444 N N -0.675 118.145 118.700 0.200 0.000 2.701 444 N HA -0.227 4.512 4.740 -0.001 0.000 0.257 444 N C 1.145 176.745 175.510 0.150 0.000 0.969 444 N CA 0.898 54.051 53.050 0.172 0.000 0.786 444 N CB -1.382 37.185 38.487 0.133 0.000 0.917 444 N HN 0.494 nan 8.380 nan 0.000 0.541 445 A N -0.483 122.417 122.820 0.133 0.000 2.015 445 A HA 0.047 4.367 4.320 -0.001 0.000 0.219 445 A C 2.374 179.990 177.584 0.054 0.000 1.163 445 A CA 1.645 53.754 52.037 0.120 0.000 0.646 445 A CB -0.538 18.523 19.000 0.100 0.000 0.806 445 A HN 0.553 nan 8.150 nan 0.000 0.448 446 G N -0.235 108.572 108.800 0.012 0.000 2.418 446 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.217 446 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.217 446 G C 1.369 176.296 174.900 0.044 0.000 1.158 446 G CA 0.888 45.995 45.100 0.011 0.000 0.771 446 G HN 0.534 nan 8.290 nan 0.000 0.545 447 E N 0.498 120.745 120.200 0.079 0.000 2.077 447 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 447 E C 2.830 179.474 176.600 0.074 0.000 0.989 447 E CA 0.826 57.267 56.400 0.069 0.000 0.800 447 E CB -0.494 29.253 29.700 0.078 0.000 0.746 447 E HN 0.337 nan 8.360 nan 0.000 0.452 448 V N 1.789 121.769 119.914 0.110 0.000 2.343 448 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 448 V C 2.406 178.572 176.094 0.120 0.000 1.051 448 V CA 2.240 64.642 62.300 0.171 0.000 1.036 448 V CB -0.919 31.049 31.823 0.241 0.000 0.654 448 V HN 0.341 nan 8.190 nan 0.000 0.451 449 T N -1.474 113.074 114.554 -0.010 0.000 2.851 449 T HA -0.186 4.163 4.350 -0.001 0.000 0.262 449 T C 1.744 176.287 174.700 -0.262 0.000 1.043 449 T CA 1.140 63.057 62.100 -0.304 0.000 1.140 449 T CB -0.282 68.418 68.868 -0.279 0.000 0.872 449 T HN 0.343 nan 8.240 nan 0.000 0.446 450 Q N 2.222 121.945 119.800 -0.127 0.000 1.968 450 Q HA -0.158 4.182 4.340 -0.001 0.000 0.216 450 Q C 2.212 178.136 176.000 -0.127 0.000 1.037 450 Q CA 2.397 58.134 55.803 -0.109 0.000 0.889 450 Q CB -1.315 27.388 28.738 -0.058 0.000 0.998 450 Q HN 0.573 nan 8.270 nan 0.000 0.417 451 G N -2.117 106.626 108.800 -0.095 0.000 2.959 451 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.203 451 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.203 451 G C 0.510 175.256 174.900 -0.256 0.000 1.176 451 G CA 0.332 45.339 45.100 -0.155 0.000 0.860 451 G HN 0.355 nan 8.290 nan 0.000 0.507 452 F N -0.666 119.058 119.950 -0.377 0.000 2.740 452 F HA 0.358 4.884 4.527 -0.001 0.000 0.304 452 F C 2.434 178.004 175.800 -0.384 0.000 1.098 452 F CA 0.353 58.092 58.000 -0.435 0.000 1.258 452 F CB 0.405 38.881 39.000 -0.873 0.000 1.061 452 F HN 0.169 nan 8.300 nan 0.000 0.598 453 A N 0.185 122.877 122.820 -0.212 0.000 1.872 453 A HA -0.001 4.318 4.320 -0.001 0.000 0.214 453 A C 2.347 179.855 177.584 -0.127 0.000 1.187 453 A CA 1.640 53.569 52.037 -0.180 0.000 0.614 453 A CB -1.173 17.718 19.000 -0.182 0.000 0.826 453 A HN 0.240 nan 8.150 nan 0.000 0.442 454 A N -0.052 122.688 122.820 -0.134 0.000 1.978 454 A HA 0.120 4.439 4.320 -0.001 0.000 0.220 454 A C 2.453 179.966 177.584 -0.118 0.000 1.170 454 A CA 2.112 54.079 52.037 -0.117 0.000 0.636 454 A CB -0.925 18.001 19.000 -0.124 0.000 0.810 454 A HN 1.044 nan 8.150 nan 0.000 0.448 455 A N -0.244 122.486 122.820 -0.149 0.000 1.902 455 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 455 A C 2.135 179.678 177.584 -0.068 0.000 1.181 455 A CA 1.419 53.375 52.037 -0.135 0.000 0.623 455 A CB -0.537 18.347 19.000 -0.193 0.000 0.818 455 A HN 0.475 nan 8.150 nan 0.000 0.443 456 L N -0.748 120.444 121.223 -0.052 0.000 2.083 456 L HA -0.139 4.201 4.340 -0.001 0.000 0.209 456 L C 1.976 178.832 176.870 -0.024 0.000 1.083 456 L CA 1.084 55.911 54.840 -0.022 0.000 0.752 456 L CB -0.441 41.604 42.059 -0.023 0.000 0.899 456 L HN 0.244 nan 8.230 nan 0.000 0.433 457 K N -0.585 119.790 120.400 -0.042 0.000 2.574 457 K HA -0.106 4.213 4.320 -0.001 0.000 0.193 457 K C 1.709 178.291 176.600 -0.030 0.000 1.035 457 K CA 0.645 56.911 56.287 -0.035 0.000 0.982 457 K CB -0.518 31.954 32.500 -0.047 0.000 0.795 457 K HN 0.390 nan 8.250 nan 0.000 0.491 458 C N -0.712 118.567 119.300 -0.034 0.000 3.019 458 C HA 0.351 4.810 4.460 -0.001 0.000 0.295 458 C C 1.198 176.177 174.990 -0.019 0.000 1.256 458 C CA 0.591 59.590 59.018 -0.031 0.000 1.706 458 C CB -0.451 27.261 27.740 -0.047 0.000 2.153 458 C HN 0.641 nan 8.230 nan 0.000 0.618 459 G N 1.796 110.590 108.800 -0.010 0.000 2.164 459 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.212 459 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.212 459 G C -0.184 174.717 174.900 0.003 0.000 1.031 459 G CA 0.240 45.342 45.100 0.002 0.000 0.730 459 G HN 0.857 nan 8.290 nan 0.000 0.501 460 L N 0.861 122.084 121.223 0.000 0.000 2.536 460 L HA 0.525 4.864 4.340 -0.001 0.000 0.294 460 L C 0.558 177.441 176.870 0.021 0.000 1.257 460 L CA 1.490 56.333 54.840 0.005 0.000 0.850 460 L CB 0.527 42.596 42.059 0.017 0.000 1.105 460 L HN 0.272 nan 8.230 nan 0.000 0.517 461 T N 3.209 117.773 114.554 0.017 0.000 2.906 461 T HA 0.259 4.608 4.350 -0.001 0.000 0.295 461 T C 0.501 175.210 174.700 0.015 0.000 1.061 461 T CA -0.491 61.620 62.100 0.018 0.000 1.000 461 T CB 1.849 70.721 68.868 0.007 0.000 1.103 461 T HN 0.628 nan 8.240 nan 0.000 0.486 462 K N 1.979 122.384 120.400 0.009 0.000 2.074 462 K HA -0.045 4.274 4.320 -0.001 0.000 0.209 462 K C 1.915 178.485 176.600 -0.050 0.000 1.048 462 K CA 1.750 58.014 56.287 -0.038 0.000 0.926 462 K CB -0.128 32.331 32.500 -0.069 0.000 0.713 462 K HN 0.461 nan 8.250 nan 0.000 0.444 463 K N 0.097 120.479 120.400 -0.029 0.000 2.032 463 K HA -0.175 4.144 4.320 -0.001 0.000 0.209 463 K C 2.266 178.852 176.600 -0.023 0.000 1.048 463 K CA 1.962 58.232 56.287 -0.028 0.000 0.927 463 K CB -0.084 32.407 32.500 -0.014 0.000 0.712 463 K HN 0.340 nan 8.250 nan 0.000 0.441 464 Q N 0.289 120.080 119.800 -0.015 0.000 2.124 464 Q HA -0.185 4.154 4.340 -0.001 0.000 0.202 464 Q C 2.127 178.120 176.000 -0.012 0.000 0.977 464 Q CA 1.005 56.799 55.803 -0.015 0.000 0.850 464 Q CB -0.141 28.589 28.738 -0.014 0.000 0.901 464 Q HN 0.190 nan 8.270 nan 0.000 0.429 465 L N 1.521 122.745 121.223 0.003 0.000 2.027 465 L HA -0.165 4.174 4.340 -0.001 0.000 0.206 465 L C 1.683 178.562 176.870 0.015 0.000 1.074 465 L CA 1.904 56.764 54.840 0.032 0.000 0.745 465 L CB -0.601 41.505 42.059 0.079 0.000 0.898 465 L HN 0.100 nan 8.230 nan 0.000 0.433 466 D N -0.805 119.585 120.400 -0.018 0.000 2.149 466 D HA -0.183 4.456 4.640 -0.001 0.000 0.198 466 D C 2.311 178.600 176.300 -0.018 0.000 0.990 466 D CA 1.628 55.610 54.000 -0.029 0.000 0.839 466 D CB 0.010 40.777 40.800 -0.055 0.000 0.948 466 D HN 0.564 nan 8.370 nan 0.000 0.460 467 S N -0.239 115.450 115.700 -0.019 0.000 2.442 467 S HA -0.088 4.382 4.470 -0.001 0.000 0.236 467 S C 1.049 175.639 174.600 -0.016 0.000 1.007 467 S CA 0.538 58.727 58.200 -0.018 0.000 0.965 467 S CB -0.408 62.780 63.200 -0.020 0.000 0.773 467 S HN 0.001 nan 8.310 nan 0.000 0.504 468 T N 3.803 118.350 114.554 -0.012 0.000 2.919 468 T HA 0.402 4.751 4.350 -0.001 0.000 0.302 468 T C -0.005 174.695 174.700 -0.000 0.000 1.031 468 T CA -0.357 61.735 62.100 -0.013 0.000 1.127 468 T CB 0.506 69.365 68.868 -0.014 0.000 0.952 468 T HN 0.125 nan 8.240 nan 0.000 0.540 469 I N 2.173 122.741 120.570 -0.004 0.000 2.428 469 I HA 0.403 4.573 4.170 -0.001 0.000 0.296 469 I C 1.142 177.270 176.117 0.019 0.000 0.985 469 I CA -0.655 60.647 61.300 0.003 0.000 1.260 469 I CB 1.010 39.007 38.000 -0.005 0.000 1.389 469 I HN 0.726 nan 8.210 nan 0.000 0.484 470 G N 5.646 114.465 108.800 0.031 0.000 2.476 470 G HA2 0.560 4.520 3.960 -0.001 0.000 0.286 470 G HA3 0.560 4.520 3.960 -0.001 0.000 0.286 470 G C 0.005 174.938 174.900 0.054 0.000 1.177 470 G CA -0.544 44.586 45.100 0.051 0.000 0.870 470 G HN 0.482 nan 8.290 nan 0.000 0.528 471 I N -0.376 120.228 120.570 0.056 0.000 2.886 471 I HA 0.316 4.486 4.170 -0.001 0.000 0.299 471 I C 0.112 176.294 176.117 0.108 0.000 1.044 471 I CA -0.328 61.008 61.300 0.060 0.000 1.310 471 I CB 1.407 39.429 38.000 0.037 0.000 1.441 471 I HN 0.654 nan 8.210 nan 0.000 0.578 472 H N 4.115 123.174 119.070 -0.018 0.000 3.029 472 H HA 0.418 4.973 4.556 -0.001 0.000 0.358 472 H C -2.632 172.682 175.328 -0.024 0.000 1.129 472 H CA -1.312 54.720 56.048 -0.026 0.000 1.230 472 H CB 1.927 31.674 29.762 -0.025 0.000 1.827 472 H HN 0.331 nan 8.280 nan 0.000 0.530 473 P HA 0.247 nan 4.420 nan 0.000 0.294 473 P C -1.177 175.956 177.300 -0.278 0.000 1.389 473 P CA -0.563 62.130 63.100 -0.677 0.000 0.875 473 P CB 1.223 32.469 31.700 -0.757 0.000 1.018 474 V N 0.673 120.474 119.914 -0.188 0.000 2.769 474 V HA 0.294 4.414 4.120 -0.001 0.000 0.312 474 V C 1.273 177.271 176.094 -0.161 0.000 1.061 474 V CA -0.615 61.611 62.300 -0.124 0.000 0.931 474 V CB 0.970 32.765 31.823 -0.047 0.000 1.010 474 V HN 0.538 nan 8.190 nan 0.000 0.433 475 C N 2.641 121.847 119.300 -0.156 0.000 2.393 475 C HA -0.103 4.357 4.460 -0.001 0.000 0.276 475 C C 3.104 177.880 174.990 -0.357 0.000 1.215 475 C CA 2.011 60.862 59.018 -0.279 0.000 1.743 475 C CB -1.538 26.145 27.740 -0.094 0.000 2.044 475 C HN 1.172 nan 8.230 nan 0.000 0.464 476 A N 1.326 124.090 122.820 -0.093 0.000 1.997 476 A HA -0.283 4.037 4.320 -0.001 0.000 0.221 476 A C 2.066 179.714 177.584 0.107 0.000 1.172 476 A CA 2.156 54.248 52.037 0.091 0.000 0.645 476 A CB -0.870 18.249 19.000 0.198 0.000 0.813 476 A HN 0.871 nan 8.150 nan 0.000 0.454 477 E N 0.108 120.302 120.200 -0.009 0.000 2.331 477 E HA -0.133 4.216 4.350 -0.001 0.000 0.199 477 E C 1.353 177.923 176.600 -0.050 0.000 1.008 477 E CA 1.322 57.730 56.400 0.013 0.000 0.843 477 E CB -0.613 29.083 29.700 -0.007 0.000 0.761 477 E HN 0.350 nan 8.360 nan 0.000 0.507 478 V N 0.442 120.210 119.914 -0.242 0.000 2.568 478 V HA -0.226 3.893 4.120 -0.001 0.000 0.253 478 V C 1.708 177.610 176.094 -0.321 0.000 1.072 478 V CA 1.629 63.700 62.300 -0.382 0.000 1.084 478 V CB -0.752 30.608 31.823 -0.773 0.000 0.676 478 V HN 0.271 nan 8.190 nan 0.000 0.469 479 F N 0.990 120.856 119.950 -0.141 0.000 2.456 479 F HA -0.071 4.455 4.527 -0.001 0.000 0.298 479 F C 2.523 178.320 175.800 -0.005 0.000 1.104 479 F CA 1.379 59.322 58.000 -0.095 0.000 1.435 479 F CB -0.850 38.087 39.000 -0.105 0.000 1.078 479 F HN 0.253 nan 8.300 nan 0.000 0.546 480 T N -3.842 110.817 114.554 0.174 0.000 3.085 480 T HA -0.052 4.297 4.350 -0.001 0.000 0.263 480 T C 1.139 175.852 174.700 0.021 0.000 1.127 480 T CA 1.106 63.268 62.100 0.104 0.000 1.103 480 T CB -0.661 68.259 68.868 0.087 0.000 0.921 480 T HN 0.222 nan 8.240 nan 0.000 0.510 481 T N 0.441 114.986 114.554 -0.015 0.000 3.630 481 T HA 0.524 4.874 4.350 -0.001 0.000 0.238 481 T C -0.398 174.258 174.700 -0.074 0.000 1.195 481 T CA -0.798 61.275 62.100 -0.044 0.000 1.433 481 T CB -0.616 68.232 68.868 -0.034 0.000 0.940 481 T HN 0.270 nan 8.240 nan 0.000 0.641 482 L N 2.611 123.777 121.223 -0.095 0.000 2.262 482 L HA 0.452 4.791 4.340 -0.001 0.000 0.288 482 L C 1.213 178.033 176.870 -0.083 0.000 1.035 482 L CA -0.630 54.151 54.840 -0.097 0.000 0.820 482 L CB 1.536 43.547 42.059 -0.081 0.000 1.204 482 L HN 0.635 nan 8.230 nan 0.000 0.424 483 S N 1.262 116.951 115.700 -0.017 0.000 2.506 483 S HA 0.136 4.605 4.470 -0.001 0.000 0.219 483 S C 0.489 175.156 174.600 0.113 0.000 1.031 483 S CA -0.298 57.924 58.200 0.038 0.000 0.911 483 S CB 0.396 63.597 63.200 0.002 0.000 0.812 483 S HN 0.245 nan 8.310 nan 0.000 0.497 484 V N 3.870 123.803 119.914 0.032 0.000 2.546 484 V HA 0.521 4.640 4.120 -0.001 0.000 0.284 484 V C 0.554 176.605 176.094 -0.072 0.000 1.050 484 V CA -0.313 61.957 62.300 -0.050 0.000 0.981 484 V CB 1.018 32.719 31.823 -0.202 0.000 0.990 484 V HN 0.620 nan 8.190 nan 0.000 0.474 485 T N 1.195 115.702 114.554 -0.079 0.000 2.952 485 T HA 0.456 4.805 4.350 -0.001 0.000 0.286 485 T C 0.653 175.383 174.700 0.051 0.000 1.024 485 T CA -0.864 61.154 62.100 -0.137 0.000 1.029 485 T CB 2.082 70.801 68.868 -0.249 0.000 1.094 485 T HN 0.502 nan 8.240 nan 0.000 0.515 486 K N -0.203 120.265 120.400 0.114 0.000 2.167 486 K HA 0.069 4.388 4.320 -0.001 0.000 0.203 486 K C 2.550 179.177 176.600 0.045 0.000 1.052 486 K CA 0.505 56.880 56.287 0.146 0.000 0.956 486 K CB -0.019 32.472 32.500 -0.015 0.000 0.735 486 K HN 0.491 nan 8.250 nan 0.000 0.451 487 R N 0.468 120.963 120.500 -0.010 0.000 2.081 487 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 487 R C 2.447 178.747 176.300 -0.001 0.000 1.131 487 R CA 1.842 57.933 56.100 -0.015 0.000 0.960 487 R CB -0.168 30.110 30.300 -0.037 0.000 0.856 487 R HN 0.214 nan 8.270 nan 0.000 0.436 488 S N -0.653 115.046 115.700 -0.003 0.000 2.447 488 S HA -0.029 4.440 4.470 -0.001 0.000 0.233 488 S C 1.501 176.113 174.600 0.020 0.000 1.006 488 S CA 0.734 58.938 58.200 0.006 0.000 0.957 488 S CB -0.096 63.106 63.200 0.003 0.000 0.773 488 S HN 0.512 nan 8.310 nan 0.000 0.507 489 G N 1.349 110.171 108.800 0.038 0.000 2.283 489 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.280 489 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.280 489 G C 0.240 175.171 174.900 0.050 0.000 1.029 489 G CA 0.303 45.435 45.100 0.053 0.000 0.840 489 G HN 1.237 nan 8.290 nan 0.000 0.505 490 A N -0.498 122.346 122.820 0.041 0.000 2.257 490 A HA 0.839 5.158 4.320 -0.001 0.000 0.289 490 A C 0.923 178.535 177.584 0.047 0.000 1.095 490 A CA 0.541 52.596 52.037 0.031 0.000 0.836 490 A CB 0.663 19.671 19.000 0.013 0.000 1.111 490 A HN 0.970 nan 8.150 nan 0.000 0.497 491 S N -0.338 115.388 115.700 0.044 0.000 2.601 491 S HA 0.409 4.878 4.470 -0.001 0.000 0.271 491 S C 0.738 175.373 174.600 0.059 0.000 1.305 491 S CA 0.130 58.369 58.200 0.065 0.000 1.022 491 S CB 0.562 63.791 63.200 0.049 0.000 0.940 491 S HN 0.785 nan 8.310 nan 0.000 0.525 492 I N -0.902 119.734 120.570 0.111 0.000 3.817 492 I HA 0.451 4.621 4.170 -0.001 0.000 0.325 492 I C -0.708 175.511 176.117 0.170 0.000 1.550 492 I CA -0.263 61.102 61.300 0.109 0.000 1.100 492 I CB 0.212 38.255 38.000 0.072 0.000 1.216 492 I HN 0.256 nan 8.210 nan 0.000 0.481 493 L N 2.430 123.715 121.223 0.103 0.000 2.302 493 L HA 0.509 4.848 4.340 -0.001 0.000 0.285 493 L C -0.644 176.229 176.870 0.005 0.000 1.090 493 L CA 0.654 55.508 54.840 0.022 0.000 0.866 493 L CB 0.365 42.416 42.059 -0.014 0.000 1.244 493 L HN 0.387 nan 8.230 nan 0.000 0.435 494 Q N 3.576 123.381 119.800 0.009 0.000 2.443 494 Q HA 0.736 5.075 4.340 -0.001 0.000 0.241 494 Q C -1.402 174.616 176.000 0.031 0.000 0.880 494 Q CA -0.530 55.282 55.803 0.014 0.000 0.974 494 Q CB 2.095 30.849 28.738 0.027 0.000 1.482 494 Q HN 0.632 nan 8.270 nan 0.000 0.448 495 A N 1.743 124.574 122.820 0.020 0.000 0.819 495 A HA 0.540 4.859 4.320 -0.001 0.000 0.183 495 A C -0.485 177.105 177.584 0.009 0.000 0.914 495 A CA 0.011 52.085 52.037 0.061 0.000 0.543 495 A CB -0.364 18.703 19.000 0.112 0.000 0.382 495 A HN 1.193 nan 8.150 nan 0.000 0.329 496 G N -0.736 108.086 108.800 0.035 0.000 2.196 496 G HA2 0.530 4.490 3.960 -0.001 0.000 0.215 496 G HA3 0.530 4.490 3.960 -0.001 0.000 0.215 496 G C -0.173 174.735 174.900 0.014 0.000 1.640 496 G CA 0.476 45.571 45.100 -0.008 0.000 0.946 496 G HN 2.291 nan 8.290 nan 0.000 0.710 497 C N 0.675 119.997 119.300 0.037 0.000 3.897 497 C HA 0.533 4.993 4.460 -0.001 0.000 0.522 497 C C 1.802 176.812 174.990 0.033 0.000 1.127 497 C CA 1.809 60.846 59.018 0.032 0.000 2.479 497 C CB -0.153 27.615 27.740 0.046 0.000 3.370 497 C HN 1.112 nan 8.230 nan 0.000 0.424 498 C N 0.305 119.640 119.300 0.058 0.000 3.250 498 C HA 0.706 5.165 4.460 -0.001 0.000 0.171 498 C C 1.131 176.166 174.990 0.076 0.000 2.610 498 C CA 0.753 59.804 59.018 0.055 0.000 1.049 498 C CB 0.329 28.101 27.740 0.053 0.000 1.243 498 C HN 0.756 nan 8.230 nan 0.000 0.713 499 G N 0.000 108.867 108.800 0.112 0.000 5.446 499 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 499 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 499 G CA 0.000 45.185 45.100 0.143 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925