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 2zz0_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 RSGASIL 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 0.000 176.822 176.870 -0.080 0.000 1.165 7 L CA 0.000 54.806 54.840 -0.056 0.000 0.813 7 L CB 0.000 42.003 42.059 -0.093 0.000 0.961 8 P HA 0.046 nan 4.420 nan 0.000 0.215 8 P C 1.101 178.281 177.300 -0.199 0.000 1.134 8 P CA 1.141 64.220 63.100 -0.036 0.000 0.894 8 P CB 0.462 32.182 31.700 0.035 0.000 0.805 9 K N 1.183 121.481 120.400 -0.170 0.000 2.450 9 K HA -0.211 4.108 4.320 -0.001 0.000 0.211 9 K C 1.543 178.031 176.600 -0.187 0.000 0.957 9 K CA 2.641 58.832 56.287 -0.160 0.000 0.914 9 K CB -2.599 29.815 32.500 -0.144 0.000 1.105 9 K HN 0.100 nan 8.250 nan 0.000 0.505 10 S N -0.621 114.885 115.700 -0.323 0.000 2.664 10 S HA 0.285 4.754 4.470 -0.001 0.000 0.245 10 S C -0.939 173.575 174.600 -0.144 0.000 1.019 10 S CA -0.750 57.318 58.200 -0.220 0.000 0.996 10 S CB -0.055 63.040 63.200 -0.175 0.000 0.878 10 S HN 0.264 nan 8.310 nan 0.000 0.493 11 Y N 1.966 122.263 120.300 -0.005 0.000 2.304 11 Y HA 0.267 4.816 4.550 -0.002 0.000 0.327 11 Y C 1.441 177.343 175.900 0.003 0.000 1.209 11 Y CA -1.287 56.829 58.100 0.027 0.000 1.299 11 Y CB 0.371 38.861 38.460 0.050 0.000 1.249 11 Y HN 0.115 nan 8.280 nan 0.000 0.519 12 D N 0.941 121.479 120.400 0.230 0.000 2.183 12 D HA -0.132 4.508 4.640 -0.001 0.000 0.203 12 D C -0.506 175.626 176.300 -0.281 0.000 0.969 12 D CA 1.735 55.761 54.000 0.043 0.000 0.842 12 D CB 0.135 41.103 40.800 0.280 0.000 0.957 12 D HN 0.429 nan 8.370 nan 0.000 0.484 13 Y N -0.424 119.919 120.300 0.072 0.000 2.571 13 Y HA 0.148 4.697 4.550 -0.002 0.000 0.341 13 Y C 0.676 176.554 175.900 -0.037 0.000 1.076 13 Y CA -1.014 57.077 58.100 -0.014 0.000 1.029 13 Y CB 1.536 39.939 38.460 -0.095 0.000 1.308 13 Y HN -0.337 nan 8.280 nan 0.000 0.461 14 D N 0.978 121.440 120.400 0.102 0.000 2.277 14 D HA 0.044 4.683 4.640 -0.001 0.000 0.208 14 D C -0.399 175.923 176.300 0.038 0.000 0.962 14 D CA 1.314 55.358 54.000 0.072 0.000 0.865 14 D CB 0.838 41.662 40.800 0.040 0.000 0.939 14 D HN 0.269 nan 8.370 nan 0.000 0.510 15 L N 0.409 121.620 121.223 -0.020 0.000 2.549 15 L HA 0.358 4.698 4.340 -0.001 0.000 0.259 15 L C -1.841 174.890 176.870 -0.232 0.000 0.934 15 L CA -0.391 54.380 54.840 -0.115 0.000 0.865 15 L CB 2.488 44.540 42.059 -0.011 0.000 1.352 15 L HN -0.274 nan 8.230 nan 0.000 0.410 16 I N 5.085 125.400 120.570 -0.425 0.000 2.509 16 I HA 0.508 4.677 4.170 -0.001 0.000 0.293 16 I C -0.875 175.139 176.117 -0.173 0.000 1.020 16 I CA -0.542 60.517 61.300 -0.402 0.000 1.088 16 I CB 2.109 39.779 38.000 -0.550 0.000 1.267 16 I HN 0.434 nan 8.210 nan 0.000 0.430 17 I N 6.568 127.077 120.570 -0.102 0.000 2.418 17 I HA 0.347 4.516 4.170 -0.001 0.000 0.287 17 I C -0.818 175.302 176.117 0.006 0.000 1.008 17 I CA -0.555 60.743 61.300 -0.003 0.000 1.104 17 I CB 1.787 39.779 38.000 -0.013 0.000 1.264 17 I HN 0.319 nan 8.210 nan 0.000 0.438 18 I N 6.000 126.607 120.570 0.062 0.000 2.304 18 I HA 0.635 4.804 4.170 -0.001 0.000 0.291 18 I C 0.562 176.699 176.117 0.033 0.000 1.018 18 I CA -0.169 61.154 61.300 0.038 0.000 1.260 18 I CB 1.035 39.078 38.000 0.071 0.000 1.390 18 I HN 0.726 nan 8.210 nan 0.000 0.475 19 G N 3.709 112.515 108.800 0.010 0.000 3.448 19 G HA2 0.138 4.097 3.960 -0.001 0.000 0.685 19 G HA3 0.138 4.097 3.960 -0.001 0.000 0.685 19 G C 0.036 174.940 174.900 0.006 0.000 1.151 19 G CA -0.608 44.499 45.100 0.012 0.000 1.023 19 G HN 1.047 nan 8.290 nan 0.000 0.499 20 G N 0.889 109.692 108.800 0.005 0.000 3.943 20 G HA2 0.672 4.631 3.960 -0.001 0.000 0.275 20 G HA3 0.672 4.631 3.960 -0.001 0.000 0.275 20 G C 0.819 175.656 174.900 -0.106 0.000 1.234 20 G CA 0.839 45.914 45.100 -0.042 0.000 1.522 20 G HN 1.226 nan 8.290 nan 0.000 0.636 21 G N -0.157 108.595 108.800 -0.080 0.000 2.828 21 G HA2 0.405 4.364 3.960 -0.001 0.000 0.244 21 G HA3 0.405 4.364 3.960 -0.001 0.000 0.244 21 G C 1.146 175.967 174.900 -0.132 0.000 1.365 21 G CA 0.251 45.288 45.100 -0.105 0.000 1.041 21 G HN 0.173 nan 8.290 nan 0.000 0.560 22 S N -0.350 115.293 115.700 -0.096 0.000 2.365 22 S HA -0.153 4.316 4.470 -0.001 0.000 0.221 22 S C 2.491 177.072 174.600 -0.031 0.000 1.037 22 S CA 2.086 60.245 58.200 -0.068 0.000 1.060 22 S CB -0.855 62.331 63.200 -0.023 0.000 0.974 22 S HN 0.794 nan 8.310 nan 0.000 0.427 23 G N 0.651 109.451 108.800 -0.001 0.000 2.408 23 G HA2 0.004 3.963 3.960 -0.001 0.000 0.217 23 G HA3 0.004 3.963 3.960 -0.001 0.000 0.217 23 G C 1.405 176.311 174.900 0.010 0.000 1.150 23 G CA 1.010 46.121 45.100 0.019 0.000 0.776 23 G HN 0.581 nan 8.290 nan 0.000 0.542 24 G N 1.327 110.124 108.800 -0.004 0.000 2.587 24 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 24 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 24 G C 1.751 176.638 174.900 -0.021 0.000 1.240 24 G CA 0.887 45.983 45.100 -0.008 0.000 0.794 24 G HN 0.391 nan 8.290 nan 0.000 0.580 25 L N 0.804 121.992 121.223 -0.060 0.000 2.187 25 L HA -0.096 4.243 4.340 -0.001 0.000 0.213 25 L C 3.368 180.238 176.870 0.000 0.000 1.100 25 L CA 0.912 55.721 54.840 -0.052 0.000 0.765 25 L CB -0.513 41.467 42.059 -0.132 0.000 0.904 25 L HN 0.364 nan 8.230 nan 0.000 0.437 26 A N 0.285 123.109 122.820 0.007 0.000 1.855 26 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 26 A C 2.577 180.179 177.584 0.030 0.000 1.191 26 A CA 1.546 53.599 52.037 0.027 0.000 0.613 26 A CB -0.671 18.344 19.000 0.026 0.000 0.829 26 A HN 0.358 nan 8.150 nan 0.000 0.442 27 A N -0.117 122.722 122.820 0.031 0.000 1.933 27 A HA 0.163 4.482 4.320 -0.001 0.000 0.218 27 A C 2.495 180.100 177.584 0.035 0.000 1.175 27 A CA 2.107 54.171 52.037 0.044 0.000 0.628 27 A CB -1.053 17.975 19.000 0.047 0.000 0.814 27 A HN 1.066 nan 8.150 nan 0.000 0.444 28 A N 0.145 122.972 122.820 0.011 0.000 1.873 28 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 28 A C 2.133 179.711 177.584 -0.009 0.000 1.193 28 A CA 2.013 54.045 52.037 -0.009 0.000 0.629 28 A CB -0.511 18.477 19.000 -0.021 0.000 0.826 28 A HN 0.565 nan 8.150 nan 0.000 0.447 29 K N -1.022 119.378 120.400 -0.001 0.000 2.057 29 K HA -0.149 4.170 4.320 -0.001 0.000 0.206 29 K C 2.142 178.739 176.600 -0.006 0.000 1.050 29 K CA 1.441 57.721 56.287 -0.013 0.000 0.935 29 K CB -0.120 32.376 32.500 -0.007 0.000 0.715 29 K HN 0.471 nan 8.250 nan 0.000 0.439 30 E N 1.182 121.406 120.200 0.039 0.000 2.077 30 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 30 E C 1.792 178.506 176.600 0.189 0.000 0.989 30 E CA 1.451 57.913 56.400 0.104 0.000 0.800 30 E CB -0.149 29.638 29.700 0.146 0.000 0.746 30 E HN 0.291 nan 8.360 nan 0.000 0.452 31 A N 0.587 123.486 122.820 0.130 0.000 1.930 31 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 31 A C 2.401 179.971 177.584 -0.023 0.000 1.175 31 A CA 1.892 53.971 52.037 0.070 0.000 0.627 31 A CB -0.900 18.045 19.000 -0.091 0.000 0.815 31 A HN 0.358 nan 8.150 nan 0.000 0.443 32 A N -1.090 121.698 122.820 -0.054 0.000 1.972 32 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 32 A C 2.079 179.598 177.584 -0.109 0.000 1.169 32 A CA 1.967 53.957 52.037 -0.079 0.000 0.635 32 A CB -0.481 18.480 19.000 -0.065 0.000 0.810 32 A HN 0.506 nan 8.150 nan 0.000 0.446 33 Q N -1.070 118.629 119.800 -0.169 0.000 2.234 33 Q HA -0.165 4.174 4.340 -0.001 0.000 0.206 33 Q C 0.564 176.276 176.000 -0.479 0.000 0.980 33 Q CA 1.664 57.257 55.803 -0.350 0.000 0.869 33 Q CB -0.485 27.959 28.738 -0.491 0.000 0.912 33 Q HN 0.811 nan 8.270 nan 0.000 0.436 34 Y N -1.249 119.024 120.300 -0.046 0.000 2.583 34 Y HA 0.360 4.909 4.550 -0.001 0.000 0.294 34 Y C 1.117 176.989 175.900 -0.048 0.000 1.170 34 Y CA 0.030 58.116 58.100 -0.023 0.000 1.265 34 Y CB 0.256 38.732 38.460 0.026 0.000 1.119 34 Y HN 0.107 nan 8.280 nan 0.000 0.522 35 G N 0.836 109.630 108.800 -0.010 0.000 2.298 35 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.287 35 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.287 35 G C -0.122 174.756 174.900 -0.038 0.000 1.075 35 G CA -0.276 44.812 45.100 -0.021 0.000 0.960 35 G HN 0.090 nan 8.290 nan 0.000 0.502 36 K N -0.262 120.079 120.400 -0.098 0.000 2.208 36 K HA 0.444 4.764 4.320 -0.001 0.000 0.247 36 K C 0.299 176.843 176.600 -0.094 0.000 0.953 36 K CA -0.976 55.219 56.287 -0.153 0.000 0.837 36 K CB 1.707 33.948 32.500 -0.433 0.000 1.131 36 K HN 0.272 nan 8.250 nan 0.000 0.431 37 K N 1.884 122.255 120.400 -0.048 0.000 2.316 37 K HA 0.258 4.577 4.320 -0.001 0.000 0.289 37 K C -0.860 175.811 176.600 0.119 0.000 1.070 37 K CA -0.298 56.003 56.287 0.023 0.000 0.928 37 K CB 0.507 32.983 32.500 -0.039 0.000 1.039 37 K HN 0.207 nan 8.250 nan 0.000 0.480 38 V N 5.402 125.395 119.914 0.131 0.000 2.823 38 V HA 0.468 4.587 4.120 -0.001 0.000 0.312 38 V C -0.522 175.546 176.094 -0.042 0.000 1.072 38 V CA -1.005 61.325 62.300 0.050 0.000 0.937 38 V CB 1.876 33.666 31.823 -0.055 0.000 1.013 38 V HN 0.869 nan 8.190 nan 0.000 0.430 39 M N 3.778 123.180 119.600 -0.330 0.000 2.464 39 M HA 0.792 5.271 4.480 -0.001 0.000 0.308 39 M C -2.117 173.994 176.300 -0.314 0.000 1.127 39 M CA -0.511 54.474 55.300 -0.524 0.000 0.913 39 M CB 2.119 33.979 32.600 -1.232 0.000 1.689 39 M HN 0.447 nan 8.290 nan 0.000 0.445 40 V N 5.854 125.660 119.914 -0.181 0.000 2.444 40 V HA 0.484 4.603 4.120 -0.001 0.000 0.294 40 V C -0.778 175.303 176.094 -0.021 0.000 1.022 40 V CA -0.620 61.640 62.300 -0.066 0.000 0.850 40 V CB 1.855 33.688 31.823 0.017 0.000 0.992 40 V HN 0.804 nan 8.190 nan 0.000 0.426 41 L N 4.465 125.660 121.223 -0.048 0.000 2.296 41 L HA 0.681 5.020 4.340 -0.001 0.000 0.286 41 L C -0.717 176.183 176.870 0.051 0.000 1.023 41 L CA -0.156 54.664 54.840 -0.034 0.000 0.812 41 L CB 1.666 43.681 42.059 -0.072 0.000 1.223 41 L HN 0.642 nan 8.230 nan 0.000 0.421 42 D N 2.251 122.727 120.400 0.127 0.000 2.964 42 D HA 0.546 5.185 4.640 -0.001 0.000 0.234 42 D C -1.678 174.731 176.300 0.182 0.000 1.223 42 D CA -0.233 53.859 54.000 0.153 0.000 0.889 42 D CB 1.724 42.655 40.800 0.218 0.000 1.609 42 D HN 0.214 nan 8.370 nan 0.000 0.523 43 F N 3.535 123.457 119.950 -0.048 0.000 2.601 43 F HA 0.636 5.163 4.527 -0.002 0.000 0.309 43 F C -1.693 174.055 175.800 -0.087 0.000 1.089 43 F CA -0.692 57.275 58.000 -0.054 0.000 0.940 43 F CB 1.859 40.827 39.000 -0.052 0.000 1.273 43 F HN 0.154 nan 8.300 nan 0.000 0.450 44 V N 3.845 123.149 119.914 -1.016 0.000 2.326 44 V HA 0.258 4.377 4.120 -0.001 0.000 0.281 44 V C -0.361 175.271 176.094 -0.771 0.000 1.015 44 V CA -0.672 61.178 62.300 -0.750 0.000 0.823 44 V CB 1.268 32.565 31.823 -0.877 0.000 1.009 44 V HN 0.830 nan 8.190 nan 0.000 0.436 45 T N 8.029 122.428 114.554 -0.258 0.000 2.761 45 T HA 0.171 4.520 4.350 -0.001 0.000 0.287 45 T C -1.977 172.642 174.700 -0.136 0.000 0.931 45 T CA -0.393 61.713 62.100 0.011 0.000 1.164 45 T CB 0.429 69.401 68.868 0.173 0.000 0.876 45 T HN 0.447 nan 8.240 nan 0.000 0.534 46 P HA 0.059 nan 4.420 nan 0.000 0.270 46 P C 0.345 177.626 177.300 -0.031 0.000 1.216 46 P CA -0.268 62.748 63.100 -0.140 0.000 0.788 46 P CB 0.247 31.905 31.700 -0.069 0.000 0.883 47 T N -2.105 112.456 114.554 0.012 0.000 2.913 47 T HA 0.266 4.615 4.350 -0.001 0.000 0.287 47 T C -1.896 172.860 174.700 0.093 0.000 1.008 47 T CA -1.827 60.339 62.100 0.110 0.000 1.067 47 T CB 0.420 69.395 68.868 0.180 0.000 0.996 47 T HN 0.154 nan 8.240 nan 0.000 0.513 48 P HA -0.087 nan 4.420 nan 0.000 0.218 48 P C 1.041 178.367 177.300 0.042 0.000 1.147 48 P CA 1.117 64.246 63.100 0.048 0.000 0.827 48 P CB -0.118 31.595 31.700 0.022 0.000 0.778 49 L N -3.436 117.835 121.223 0.080 0.000 2.592 49 L HA 0.296 4.636 4.340 -0.001 0.000 0.227 49 L C 1.387 178.299 176.870 0.069 0.000 1.127 49 L CA 0.579 55.463 54.840 0.072 0.000 0.884 49 L CB -0.712 41.411 42.059 0.106 0.000 1.065 49 L HN 0.059 nan 8.230 nan 0.000 0.457 50 G N 0.054 108.889 108.800 0.059 0.000 2.142 50 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.225 50 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.225 50 G C 0.181 175.106 174.900 0.041 0.000 1.015 50 G CA 0.092 45.216 45.100 0.040 0.000 0.716 50 G HN 0.231 nan 8.290 nan 0.000 0.508 51 T N 0.378 114.974 114.554 0.069 0.000 2.889 51 T HA 0.710 5.059 4.350 -0.001 0.000 0.291 51 T C 0.462 175.142 174.700 -0.034 0.000 0.995 51 T CA 0.317 62.482 62.100 0.108 0.000 1.092 51 T CB 1.368 70.382 68.868 0.243 0.000 0.954 51 T HN 0.924 nan 8.240 nan 0.000 0.506 52 R N 0.535 120.996 120.500 -0.066 0.000 2.831 52 R HA 0.850 5.189 4.340 -0.001 0.000 0.266 52 R C -1.858 174.357 176.300 -0.141 0.000 1.051 52 R CA -1.216 54.600 56.100 -0.472 0.000 0.943 52 R CB 0.983 31.023 30.300 -0.434 0.000 1.228 52 R HN 0.761 nan 8.270 nan 0.000 0.467 53 W N -1.582 119.703 121.300 -0.026 0.000 2.923 53 W HA 0.813 5.472 4.660 -0.002 0.000 0.373 53 W C -0.364 176.142 176.519 -0.023 0.000 1.205 53 W CA -1.247 56.093 57.345 -0.008 0.000 1.180 53 W CB 0.137 29.603 29.460 0.011 0.000 1.477 53 W HN 0.836 nan 8.180 nan 0.000 0.581 54 G N 0.598 109.614 108.800 0.360 0.000 2.570 54 G HA2 0.374 4.333 3.960 -0.001 0.000 0.276 54 G HA3 0.374 4.333 3.960 -0.001 0.000 0.276 54 G C -0.872 174.160 174.900 0.219 0.000 1.346 54 G CA -0.801 44.429 45.100 0.218 0.000 1.034 54 G HN 0.822 nan 8.290 nan 0.000 0.512 55 L N -0.046 121.236 121.223 0.098 0.000 2.483 55 L HA 0.454 4.793 4.340 -0.001 0.000 0.276 55 L C 1.380 178.209 176.870 -0.068 0.000 1.213 55 L CA 2.165 56.993 54.840 -0.020 0.000 0.843 55 L CB 0.939 42.879 42.059 -0.198 0.000 1.107 55 L HN 1.187 nan 8.230 nan 0.000 0.487 56 G N 1.273 109.948 108.800 -0.209 0.000 3.288 56 G HA2 0.354 4.313 3.960 -0.001 0.000 0.195 56 G HA3 0.354 4.313 3.960 -0.001 0.000 0.195 56 G C 0.629 175.362 174.900 -0.278 0.000 1.093 56 G CA 0.100 44.959 45.100 -0.402 0.000 0.852 56 G HN 1.949 nan 8.290 nan 0.000 0.453 57 G N -1.510 107.241 108.800 -0.082 0.000 2.434 57 G HA2 0.309 4.268 3.960 -0.001 0.000 0.671 57 G HA3 0.309 4.268 3.960 -0.001 0.000 0.671 57 G C 0.563 175.441 174.900 -0.037 0.000 1.280 57 G CA 0.588 45.667 45.100 -0.035 0.000 0.975 57 G HN 1.054 nan 8.290 nan 0.000 0.510 58 T N -0.445 114.100 114.554 -0.015 0.000 2.674 58 T HA -0.189 4.160 4.350 -0.001 0.000 0.265 58 T C 2.493 177.123 174.700 -0.117 0.000 1.039 58 T CA 2.582 64.651 62.100 -0.051 0.000 1.150 58 T CB -0.581 68.297 68.868 0.018 0.000 0.864 58 T HN 0.955 nan 8.240 nan 0.000 0.427 59 c N 1.238 119.795 118.600 -0.072 0.000 2.398 59 c HA -0.105 4.464 4.570 -0.001 0.000 0.276 59 c C 2.801 176.813 174.090 -0.128 0.000 1.222 59 c CA 0.982 57.264 56.329 -0.078 0.000 1.746 59 c CB -1.212 41.274 42.510 -0.040 0.000 2.039 59 c HN 0.413 nan 8.230 nan 0.000 0.470 60 V N 1.621 121.460 119.914 -0.125 0.000 2.358 60 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 60 V C 2.039 178.026 176.094 -0.178 0.000 1.047 60 V CA 2.412 64.649 62.300 -0.105 0.000 1.035 60 V CB -0.655 31.131 31.823 -0.062 0.000 0.658 60 V HN 0.625 nan 8.190 nan 0.000 0.452 61 N N 0.073 118.594 118.700 -0.298 0.000 2.414 61 N HA 0.050 4.790 4.740 -0.001 0.000 0.177 61 N C 0.962 176.156 175.510 -0.526 0.000 1.062 61 N CA 1.356 54.141 53.050 -0.443 0.000 0.890 61 N CB 1.417 39.456 38.487 -0.746 0.000 1.070 61 N HN 0.565 nan 8.380 nan 0.000 0.454 62 V N -3.277 116.341 119.914 -0.493 0.000 3.293 62 V HA 0.628 4.748 4.120 -0.001 0.000 0.381 62 V C 0.293 176.352 176.094 -0.059 0.000 1.465 62 V CA -0.392 61.764 62.300 -0.239 0.000 1.331 62 V CB 0.458 31.988 31.823 -0.487 0.000 1.160 62 V HN 0.128 nan 8.190 nan 0.000 0.565 63 G N -0.252 108.414 108.800 -0.223 0.000 3.265 63 G HA2 0.293 4.252 3.960 -0.001 0.000 0.171 63 G HA3 0.293 4.252 3.960 -0.001 0.000 0.171 63 G C 0.906 175.682 174.900 -0.207 0.000 1.110 63 G CA 0.582 45.624 45.100 -0.097 0.000 0.855 63 G HN 0.275 nan 8.290 nan 0.000 0.658 64 c N 0.421 118.967 118.600 -0.091 0.000 2.304 64 c HA -0.189 4.381 4.570 -0.001 0.000 0.269 64 c C 2.746 176.705 174.090 -0.219 0.000 1.136 64 c CA 1.153 57.419 56.329 -0.104 0.000 1.796 64 c CB -1.500 40.979 42.510 -0.052 0.000 2.017 64 c HN 0.454 nan 8.230 nan 0.000 0.431 65 I N 2.166 122.609 120.570 -0.211 0.000 2.091 65 I HA -0.121 4.048 4.170 -0.001 0.000 0.239 65 I C -0.305 175.600 176.117 -0.352 0.000 1.061 65 I CA 1.926 63.092 61.300 -0.224 0.000 1.317 65 I CB -1.943 35.988 38.000 -0.115 0.000 1.031 65 I HN 0.233 nan 8.210 nan 0.000 0.401 66 P HA -0.150 nan 4.420 nan 0.000 0.219 66 P C 1.632 178.421 177.300 -0.851 0.000 1.150 66 P CA 1.113 63.781 63.100 -0.721 0.000 0.814 66 P CB -0.077 31.045 31.700 -0.964 0.000 0.787 67 K N 1.407 121.262 120.400 -0.910 0.000 1.991 67 K HA -0.228 4.091 4.320 -0.001 0.000 0.212 67 K C 2.023 178.437 176.600 -0.310 0.000 1.049 67 K CA 2.072 58.102 56.287 -0.428 0.000 0.932 67 K CB -0.788 31.680 32.500 -0.053 0.000 0.717 67 K HN -0.124 nan 8.250 nan 0.000 0.441 68 K N 0.884 121.108 120.400 -0.293 0.000 2.044 68 K HA -0.080 4.239 4.320 -0.001 0.000 0.210 68 K C 2.347 178.805 176.600 -0.237 0.000 1.049 68 K CA 1.505 57.619 56.287 -0.288 0.000 0.927 68 K CB -0.320 31.936 32.500 -0.407 0.000 0.713 68 K HN 0.247 nan 8.250 nan 0.000 0.443 69 L N 0.022 121.068 121.223 -0.295 0.000 2.131 69 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 69 L C 2.437 179.150 176.870 -0.261 0.000 1.092 69 L CA 1.176 55.854 54.840 -0.270 0.000 0.759 69 L CB -0.313 41.577 42.059 -0.281 0.000 0.903 69 L HN 0.337 nan 8.230 nan 0.000 0.435 70 M N -1.693 117.691 119.600 -0.360 0.000 2.334 70 M HA -0.138 4.341 4.480 -0.001 0.000 0.266 70 M C 2.285 178.457 176.300 -0.214 0.000 1.082 70 M CA 0.974 56.030 55.300 -0.406 0.000 1.141 70 M CB -0.586 31.511 32.600 -0.838 0.000 1.380 70 M HN 0.242 nan 8.290 nan 0.000 0.440 71 H N 0.958 119.876 119.070 -0.254 0.000 2.352 71 H HA -0.208 4.347 4.556 -0.002 0.000 0.299 71 H C 1.992 177.315 175.328 -0.010 0.000 1.097 71 H CA 2.226 58.277 56.048 0.006 0.000 1.311 71 H CB -0.154 29.622 29.762 0.023 0.000 1.377 71 H HN 0.252 nan 8.280 nan 0.000 0.504 72 Q N 0.520 120.200 119.800 -0.200 0.000 2.084 72 Q HA -0.005 4.334 4.340 -0.001 0.000 0.202 72 Q C 2.407 178.313 176.000 -0.157 0.000 0.978 72 Q CA 1.921 57.572 55.803 -0.252 0.000 0.844 72 Q CB -0.849 27.766 28.738 -0.206 0.000 0.898 72 Q HN 0.552 nan 8.270 nan 0.000 0.426 73 A N 0.022 122.774 122.820 -0.113 0.000 2.019 73 A HA -0.003 4.317 4.320 -0.001 0.000 0.219 73 A C 2.207 179.763 177.584 -0.046 0.000 1.164 73 A CA 1.731 53.731 52.037 -0.061 0.000 0.644 73 A CB -0.896 18.079 19.000 -0.041 0.000 0.805 73 A HN 0.497 nan 8.150 nan 0.000 0.449 74 A N -0.303 122.505 122.820 -0.020 0.000 1.898 74 A HA 0.101 4.420 4.320 -0.001 0.000 0.214 74 A C 2.119 179.706 177.584 0.004 0.000 1.183 74 A CA 1.169 53.226 52.037 0.034 0.000 0.622 74 A CB -0.487 18.614 19.000 0.169 0.000 0.824 74 A HN 0.444 nan 8.150 nan 0.000 0.444 75 L N -0.269 120.911 121.223 -0.072 0.000 2.017 75 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 75 L C 2.484 179.331 176.870 -0.038 0.000 1.073 75 L CA 1.177 55.975 54.840 -0.070 0.000 0.745 75 L CB -0.626 41.333 42.059 -0.166 0.000 0.894 75 L HN 0.365 nan 8.230 nan 0.000 0.432 76 L N -0.444 120.747 121.223 -0.053 0.000 2.187 76 L HA -0.161 4.178 4.340 -0.001 0.000 0.213 76 L C 2.638 179.501 176.870 -0.011 0.000 1.100 76 L CA 1.231 56.047 54.840 -0.039 0.000 0.765 76 L CB -1.316 40.716 42.059 -0.046 0.000 0.904 76 L HN 0.370 nan 8.230 nan 0.000 0.437 77 G N -0.346 108.458 108.800 0.007 0.000 2.421 77 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.216 77 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.216 77 G C 1.506 176.422 174.900 0.027 0.000 1.171 77 G CA 0.789 45.906 45.100 0.028 0.000 0.775 77 G HN 0.301 nan 8.290 nan 0.000 0.543 78 Q N 1.059 120.874 119.800 0.025 0.000 2.096 78 Q HA 0.048 4.387 4.340 -0.001 0.000 0.204 78 Q C 2.610 178.624 176.000 0.023 0.000 0.982 78 Q CA 2.183 58.002 55.803 0.027 0.000 0.850 78 Q CB -0.799 27.956 28.738 0.028 0.000 0.901 78 Q HN 0.365 nan 8.270 nan 0.000 0.422 79 A N 0.014 122.838 122.820 0.006 0.000 1.972 79 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 79 A C 2.133 179.709 177.584 -0.012 0.000 1.169 79 A CA 1.438 53.468 52.037 -0.013 0.000 0.635 79 A CB -0.731 18.238 19.000 -0.052 0.000 0.810 79 A HN 0.461 nan 8.150 nan 0.000 0.446 80 L N -1.048 120.173 121.223 -0.004 0.000 2.017 80 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 80 L C 2.898 179.799 176.870 0.050 0.000 1.073 80 L CA 1.736 56.581 54.840 0.008 0.000 0.745 80 L CB -0.563 41.507 42.059 0.018 0.000 0.894 80 L HN 0.450 nan 8.230 nan 0.000 0.432 81 Q N -0.284 119.550 119.800 0.056 0.000 2.050 81 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 81 Q C 1.909 177.975 176.000 0.109 0.000 0.980 81 Q CA 1.670 57.517 55.803 0.074 0.000 0.840 81 Q CB -0.124 28.648 28.738 0.057 0.000 0.898 81 Q HN 0.420 nan 8.270 nan 0.000 0.424 82 D N 0.026 120.494 120.400 0.113 0.000 2.158 82 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 82 D C 2.042 178.516 176.300 0.291 0.000 0.995 82 D CA 1.608 55.723 54.000 0.192 0.000 0.846 82 D CB -0.335 40.561 40.800 0.159 0.000 0.941 82 D HN 0.250 nan 8.370 nan 0.000 0.456 83 S N 0.289 116.113 115.700 0.207 0.000 2.440 83 S HA -0.166 4.304 4.470 -0.001 0.000 0.238 83 S C 1.836 176.691 174.600 0.425 0.000 1.010 83 S CA 0.546 58.935 58.200 0.314 0.000 0.972 83 S CB -0.163 63.109 63.200 0.121 0.000 0.774 83 S HN 0.223 nan 8.310 nan 0.000 0.501 84 R N 1.664 122.331 120.500 0.277 0.000 2.070 84 R HA -0.039 4.300 4.340 -0.001 0.000 0.233 84 R C 2.288 178.693 176.300 0.175 0.000 1.137 84 R CA 1.827 58.052 56.100 0.208 0.000 0.945 84 R CB -0.876 29.506 30.300 0.136 0.000 0.845 84 R HN 0.630 nan 8.270 nan 0.000 0.430 85 N N -0.127 118.667 118.700 0.157 0.000 2.223 85 N HA -0.169 4.570 4.740 -0.001 0.000 0.185 85 N C 1.194 176.706 175.510 0.003 0.000 1.016 85 N CA 0.868 53.947 53.050 0.049 0.000 0.863 85 N CB -0.112 38.367 38.487 -0.013 0.000 0.983 85 N HN 0.247 nan 8.380 nan 0.000 0.429 86 Y N -0.088 120.288 120.300 0.127 0.000 2.632 86 Y HA 0.068 4.617 4.550 -0.001 0.000 0.301 86 Y C 1.712 177.611 175.900 -0.002 0.000 1.172 86 Y CA 0.457 58.627 58.100 0.115 0.000 1.328 86 Y CB 0.205 38.806 38.460 0.235 0.000 1.016 86 Y HN 0.137 nan 8.280 nan 0.000 0.529 87 G N -2.057 106.784 108.800 0.069 0.000 2.179 87 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.220 87 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.220 87 G C -0.309 174.446 174.900 -0.241 0.000 0.990 87 G CA -0.604 44.421 45.100 -0.125 0.000 0.646 87 G HN 0.258 nan 8.290 nan 0.000 0.517 88 W N 1.490 122.840 121.300 0.083 0.000 2.316 88 W HA 0.616 5.275 4.660 -0.002 0.000 0.311 88 W C 0.872 177.420 176.519 0.048 0.000 1.217 88 W CA -0.638 56.743 57.345 0.059 0.000 1.199 88 W CB 0.789 30.284 29.460 0.058 0.000 1.202 88 W HN -0.092 nan 8.180 nan 0.000 0.528 89 K N 3.205 123.735 120.400 0.217 0.000 2.111 89 K HA 0.252 4.571 4.320 -0.001 0.000 0.249 89 K C -0.678 176.017 176.600 0.159 0.000 1.157 89 K CA -0.135 56.238 56.287 0.143 0.000 1.048 89 K CB -0.101 32.451 32.500 0.087 0.000 1.498 89 K HN 0.211 nan 8.250 nan 0.000 0.344 90 V N 1.930 121.937 119.914 0.155 0.000 2.715 90 V HA 0.186 4.305 4.120 -0.001 0.000 0.310 90 V C 0.101 176.248 176.094 0.088 0.000 1.054 90 V CA -1.171 61.201 62.300 0.120 0.000 0.928 90 V CB 1.962 33.860 31.823 0.125 0.000 1.007 90 V HN 0.498 nan 8.190 nan 0.000 0.437 91 E N 1.165 121.407 120.200 0.069 0.000 2.425 91 E HA 0.047 4.396 4.350 -0.001 0.000 0.258 91 E C 1.005 177.639 176.600 0.056 0.000 1.151 91 E CA 0.210 56.643 56.400 0.056 0.000 0.958 91 E CB 0.418 30.147 29.700 0.048 0.000 0.968 91 E HN 0.791 nan 8.360 nan 0.000 0.451 92 E N -0.316 119.913 120.200 0.048 0.000 2.158 92 E HA -0.046 4.304 4.350 -0.001 0.000 0.191 92 E C -0.422 176.205 176.600 0.046 0.000 0.982 92 E CA 0.823 57.251 56.400 0.046 0.000 0.823 92 E CB 0.358 30.081 29.700 0.038 0.000 0.766 92 E HN 0.535 nan 8.360 nan 0.000 0.468 93 T N -0.624 113.956 114.554 0.044 0.000 2.841 93 T HA 0.566 4.915 4.350 -0.001 0.000 0.285 93 T C -0.592 174.139 174.700 0.051 0.000 0.991 93 T CA -0.946 61.182 62.100 0.047 0.000 0.966 93 T CB 1.976 70.869 68.868 0.042 0.000 0.962 93 T HN -0.150 nan 8.240 nan 0.000 0.438 94 V N 3.444 123.393 119.914 0.058 0.000 2.555 94 V HA 0.512 4.631 4.120 -0.001 0.000 0.302 94 V C -0.050 176.092 176.094 0.079 0.000 1.038 94 V CA -1.033 61.304 62.300 0.061 0.000 0.887 94 V CB 1.909 33.768 31.823 0.060 0.000 0.991 94 V HN 0.757 nan 8.190 nan 0.000 0.434 95 K N 2.998 123.443 120.400 0.075 0.000 2.143 95 K HA 0.386 4.705 4.320 -0.001 0.000 0.272 95 K C -0.540 176.133 176.600 0.121 0.000 1.001 95 K CA -0.471 55.874 56.287 0.097 0.000 0.915 95 K CB 1.129 33.672 32.500 0.072 0.000 1.047 95 K HN 0.763 nan 8.250 nan 0.000 0.458 96 H N 1.751 120.862 119.070 0.070 0.000 2.457 96 H HA 0.141 4.696 4.556 -0.002 0.000 0.335 96 H C -1.212 174.180 175.328 0.107 0.000 1.115 96 H CA -0.435 55.661 56.048 0.081 0.000 1.219 96 H CB 1.557 31.377 29.762 0.098 0.000 1.471 96 H HN 0.494 nan 8.280 nan 0.000 0.491 97 D N 5.354 125.461 120.400 -0.488 0.000 2.412 97 D HA -0.044 4.595 4.640 -0.001 0.000 0.224 97 D C 1.107 177.322 176.300 -0.142 0.000 1.093 97 D CA -0.586 53.297 54.000 -0.195 0.000 0.850 97 D CB 0.093 40.799 40.800 -0.157 0.000 1.046 97 D HN 0.616 nan 8.370 nan 0.000 0.507 98 W N 4.275 125.595 121.300 0.034 0.000 2.333 98 W HA -0.217 4.442 4.660 -0.001 0.000 0.316 98 W C 0.608 177.160 176.519 0.055 0.000 1.215 98 W CA 1.413 58.840 57.345 0.136 0.000 1.278 98 W CB -0.100 29.442 29.460 0.137 0.000 1.154 98 W HN 0.404 nan 8.180 nan 0.000 0.486 99 D N -0.089 120.455 120.400 0.240 0.000 2.127 99 D HA -0.273 4.366 4.640 -0.001 0.000 0.190 99 D C 2.282 178.550 176.300 -0.053 0.000 1.000 99 D CA 2.605 56.672 54.000 0.111 0.000 0.839 99 D CB -0.606 40.273 40.800 0.131 0.000 0.955 99 D HN 0.104 nan 8.370 nan 0.000 0.446 100 R N -0.200 120.259 120.500 -0.068 0.000 2.105 100 R HA -0.152 4.188 4.340 -0.001 0.000 0.239 100 R C 2.295 178.509 176.300 -0.144 0.000 1.135 100 R CA 1.408 57.447 56.100 -0.101 0.000 0.967 100 R CB -0.230 30.003 30.300 -0.111 0.000 0.861 100 R HN 0.290 nan 8.270 nan 0.000 0.442 101 M N 0.196 119.677 119.600 -0.199 0.000 2.062 101 M HA -0.161 4.318 4.480 -0.001 0.000 0.259 101 M C 1.689 177.832 176.300 -0.261 0.000 1.076 101 M CA 1.734 56.912 55.300 -0.203 0.000 1.122 101 M CB -0.093 32.417 32.600 -0.150 0.000 1.312 101 M HN 0.114 nan 8.290 nan 0.000 0.412 102 I N 0.736 121.056 120.570 -0.417 0.000 2.151 102 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 102 I C 2.305 178.325 176.117 -0.162 0.000 1.080 102 I CA 1.873 62.966 61.300 -0.344 0.000 1.339 102 I CB -1.818 35.940 38.000 -0.402 0.000 1.039 102 I HN 0.532 nan 8.210 nan 0.000 0.409 103 E N 0.739 120.867 120.200 -0.120 0.000 2.070 103 E HA -0.243 4.106 4.350 -0.001 0.000 0.197 103 E C 2.324 178.889 176.600 -0.058 0.000 1.004 103 E CA 1.716 58.080 56.400 -0.060 0.000 0.805 103 E CB -0.043 29.632 29.700 -0.043 0.000 0.744 103 E HN 0.537 nan 8.360 nan 0.000 0.451 104 A N 0.470 123.243 122.820 -0.079 0.000 1.873 104 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 104 A C 2.459 180.009 177.584 -0.057 0.000 1.186 104 A CA 1.336 53.333 52.037 -0.066 0.000 0.616 104 A CB -0.685 18.265 19.000 -0.083 0.000 0.823 104 A HN 0.150 nan 8.150 nan 0.000 0.442 105 V N 0.081 119.937 119.914 -0.095 0.000 2.287 105 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 105 V C 2.751 178.828 176.094 -0.028 0.000 1.053 105 V CA 2.118 64.367 62.300 -0.086 0.000 1.027 105 V CB -0.816 30.921 31.823 -0.145 0.000 0.646 105 V HN 0.521 nan 8.190 nan 0.000 0.447 106 Q N -0.112 119.670 119.800 -0.030 0.000 2.124 106 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 106 Q C 2.141 178.147 176.000 0.011 0.000 0.977 106 Q CA 1.993 57.797 55.803 0.001 0.000 0.850 106 Q CB -0.830 27.917 28.738 0.014 0.000 0.901 106 Q HN 0.836 nan 8.270 nan 0.000 0.429 107 N N -0.493 118.210 118.700 0.005 0.000 2.104 107 N HA -0.229 4.510 4.740 -0.001 0.000 0.190 107 N C 1.815 177.335 175.510 0.017 0.000 1.024 107 N CA 1.228 54.280 53.050 0.003 0.000 0.853 107 N CB -0.046 38.437 38.487 -0.006 0.000 1.008 107 N HN 0.240 nan 8.380 nan 0.000 0.424 108 H N 0.556 119.595 119.070 -0.052 0.000 2.321 108 H HA -0.001 4.554 4.556 -0.002 0.000 0.300 108 H C 1.915 177.229 175.328 -0.024 0.000 1.087 108 H CA 1.953 57.973 56.048 -0.048 0.000 1.319 108 H CB -0.247 29.471 29.762 -0.073 0.000 1.379 108 H HN 0.240 nan 8.280 nan 0.000 0.501 109 I N -0.056 120.500 120.570 -0.022 0.000 2.145 109 I HA -0.283 3.886 4.170 -0.001 0.000 0.244 109 I C 2.712 178.806 176.117 -0.039 0.000 1.075 109 I CA 1.532 62.803 61.300 -0.049 0.000 1.332 109 I CB -1.254 36.737 38.000 -0.014 0.000 1.033 109 I HN 0.486 nan 8.210 nan 0.000 0.410 110 G N 0.036 108.829 108.800 -0.011 0.000 2.469 110 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.219 110 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.219 110 G C 1.821 176.739 174.900 0.030 0.000 1.150 110 G CA 1.213 46.326 45.100 0.022 0.000 0.763 110 G HN 0.376 nan 8.290 nan 0.000 0.561 111 S N -0.136 115.534 115.700 -0.050 0.000 2.368 111 S HA -0.016 4.453 4.470 -0.001 0.000 0.225 111 S C 2.447 177.075 174.600 0.047 0.000 1.030 111 S CA 1.088 59.278 58.200 -0.017 0.000 0.999 111 S CB -0.234 62.885 63.200 -0.134 0.000 0.844 111 S HN 0.341 nan 8.310 nan 0.000 0.459 112 L N 1.300 122.459 121.223 -0.107 0.000 2.046 112 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 112 L C 2.147 179.086 176.870 0.115 0.000 1.077 112 L CA 1.462 56.272 54.840 -0.050 0.000 0.747 112 L CB -0.780 41.252 42.059 -0.045 0.000 0.896 112 L HN 0.354 nan 8.230 nan 0.000 0.432 113 N N -0.916 117.866 118.700 0.138 0.000 2.018 113 N HA -0.300 4.439 4.740 -0.001 0.000 0.196 113 N C 1.581 177.185 175.510 0.157 0.000 1.043 113 N CA 1.890 55.036 53.050 0.160 0.000 0.856 113 N CB -0.385 38.187 38.487 0.141 0.000 1.042 113 N HN 0.364 nan 8.380 nan 0.000 0.423 114 W N 1.854 123.145 121.300 -0.014 0.000 2.321 114 W HA -0.128 4.531 4.660 -0.002 0.000 0.306 114 W C 2.252 178.736 176.519 -0.058 0.000 1.217 114 W CA 1.843 59.170 57.345 -0.031 0.000 1.257 114 W CB -0.858 28.577 29.460 -0.041 0.000 1.145 114 W HN 0.031 nan 8.180 nan 0.000 0.509 115 G N -0.737 107.984 108.800 -0.131 0.000 2.446 115 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.217 115 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.217 115 G C 1.243 175.839 174.900 -0.508 0.000 1.168 115 G CA 1.314 46.098 45.100 -0.527 0.000 0.771 115 G HN 0.377 nan 8.290 nan 0.000 0.551 116 Y N 0.842 120.986 120.300 -0.260 0.000 2.181 116 Y HA -0.048 4.501 4.550 -0.001 0.000 0.288 116 Y C 3.105 178.814 175.900 -0.318 0.000 1.146 116 Y CA 1.439 59.388 58.100 -0.251 0.000 1.164 116 Y CB -0.262 38.081 38.460 -0.196 0.000 0.982 116 Y HN 0.055 nan 8.280 nan 0.000 0.515 117 R N -0.496 119.887 120.500 -0.196 0.000 2.094 117 R HA -0.180 4.159 4.340 -0.001 0.000 0.239 117 R C 2.138 178.273 176.300 -0.274 0.000 1.137 117 R CA 2.015 57.960 56.100 -0.258 0.000 0.943 117 R CB -0.964 29.229 30.300 -0.178 0.000 0.850 117 R HN 0.200 nan 8.270 nan 0.000 0.433 118 V N 1.035 120.673 119.914 -0.459 0.000 2.392 118 V HA -0.261 3.858 4.120 -0.001 0.000 0.249 118 V C 2.487 178.391 176.094 -0.317 0.000 1.059 118 V CA 1.932 63.956 62.300 -0.459 0.000 1.051 118 V CB -0.877 30.472 31.823 -0.791 0.000 0.658 118 V HN 0.429 nan 8.190 nan 0.000 0.455 119 A N -0.201 122.430 122.820 -0.315 0.000 1.940 119 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 119 A C 2.251 179.755 177.584 -0.134 0.000 1.176 119 A CA 1.826 53.737 52.037 -0.211 0.000 0.631 119 A CB -0.489 18.394 19.000 -0.195 0.000 0.814 119 A HN 0.513 nan 8.150 nan 0.000 0.446 120 L N -1.327 119.823 121.223 -0.121 0.000 2.027 120 L HA -0.158 4.181 4.340 -0.001 0.000 0.206 120 L C 2.777 179.611 176.870 -0.059 0.000 1.074 120 L CA 1.589 56.383 54.840 -0.078 0.000 0.745 120 L CB -0.463 41.547 42.059 -0.083 0.000 0.898 120 L HN 0.403 nan 8.230 nan 0.000 0.433 121 R N 0.951 121.409 120.500 -0.071 0.000 2.080 121 R HA -0.245 4.094 4.340 -0.001 0.000 0.236 121 R C 2.095 178.363 176.300 -0.053 0.000 1.137 121 R CA 1.950 58.024 56.100 -0.043 0.000 0.943 121 R CB -0.695 29.576 30.300 -0.048 0.000 0.846 121 R HN 0.163 nan 8.270 nan 0.000 0.431 122 E N 0.588 120.738 120.200 -0.083 0.000 2.130 122 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 122 E C 1.014 177.576 176.600 -0.064 0.000 0.998 122 E CA 1.508 57.863 56.400 -0.076 0.000 0.806 122 E CB -0.033 29.607 29.700 -0.100 0.000 0.738 122 E HN 0.205 nan 8.360 nan 0.000 0.459 123 K N 0.568 120.929 120.400 -0.066 0.000 2.505 123 K HA 0.051 4.370 4.320 -0.001 0.000 0.192 123 K C -0.150 176.425 176.600 -0.043 0.000 1.025 123 K CA 0.116 56.367 56.287 -0.060 0.000 1.086 123 K CB 0.140 32.602 32.500 -0.064 0.000 0.840 123 K HN 0.143 nan 8.250 nan 0.000 0.514 124 K N 0.384 120.766 120.400 -0.029 0.000 3.162 124 K HA -0.133 4.187 4.320 -0.001 0.000 0.268 124 K C -0.789 175.814 176.600 0.006 0.000 1.062 124 K CA 0.191 56.473 56.287 -0.010 0.000 0.769 124 K CB -1.643 30.849 32.500 -0.014 0.000 1.274 124 K HN -0.081 nan 8.250 nan 0.000 0.478 125 V N 1.327 121.245 119.914 0.005 0.000 2.459 125 V HA 0.285 4.405 4.120 -0.001 0.000 0.295 125 V C 0.560 176.677 176.094 0.038 0.000 1.029 125 V CA -0.980 61.329 62.300 0.014 0.000 0.874 125 V CB 1.919 33.736 31.823 -0.010 0.000 0.985 125 V HN 0.076 nan 8.190 nan 0.000 0.438 126 V N 4.914 124.855 119.914 0.044 0.000 2.488 126 V HA 0.231 4.350 4.120 -0.001 0.000 0.277 126 V C -0.521 175.590 176.094 0.027 0.000 1.046 126 V CA -0.474 61.851 62.300 0.043 0.000 0.986 126 V CB 0.453 32.304 31.823 0.046 0.000 0.989 126 V HN 0.775 nan 8.190 nan 0.000 0.475 127 Y N 3.785 124.049 120.300 -0.060 0.000 2.334 127 Y HA 0.680 5.229 4.550 -0.002 0.000 0.336 127 Y C -0.309 175.566 175.900 -0.042 0.000 0.960 127 Y CA -1.208 56.854 58.100 -0.063 0.000 1.164 127 Y CB 1.546 39.984 38.460 -0.036 0.000 1.155 127 Y HN 0.728 nan 8.280 nan 0.000 0.478 128 E N 4.764 124.679 120.200 -0.475 0.000 2.155 128 E HA 0.210 4.559 4.350 -0.001 0.000 0.264 128 E C -0.887 175.344 176.600 -0.616 0.000 0.886 128 E CA -0.363 55.736 56.400 -0.502 0.000 0.752 128 E CB 0.571 30.122 29.700 -0.249 0.000 1.133 128 E HN 0.743 nan 8.360 nan 0.000 0.414 129 N N 3.317 121.609 118.700 -0.680 0.000 2.895 129 N HA 0.316 5.055 4.740 -0.001 0.000 0.277 129 N C -1.290 174.251 175.510 0.052 0.000 1.185 129 N CA 0.019 52.895 53.050 -0.290 0.000 1.106 129 N CB 0.012 38.398 38.487 -0.169 0.000 1.422 129 N HN 0.393 nan 8.380 nan 0.000 0.521 130 A N 2.665 125.539 122.820 0.091 0.000 2.594 130 A HA 0.238 4.557 4.320 -0.001 0.000 0.295 130 A C -1.794 175.841 177.584 0.086 0.000 1.071 130 A CA -0.643 51.439 52.037 0.076 0.000 0.685 130 A CB 0.755 19.752 19.000 -0.004 0.000 1.285 130 A HN 0.595 nan 8.150 nan 0.000 0.405 131 Y N 1.032 121.200 120.300 -0.220 0.000 2.359 131 Y HA 0.473 5.022 4.550 -0.001 0.000 0.330 131 Y C 0.847 176.708 175.900 -0.064 0.000 1.143 131 Y CA 0.811 58.834 58.100 -0.127 0.000 1.318 131 Y CB 0.939 39.183 38.460 -0.360 0.000 1.234 131 Y HN 0.861 nan 8.280 nan 0.000 0.522 132 G N 4.691 113.603 108.800 0.187 0.000 2.473 132 G HA2 0.578 4.537 3.960 -0.001 0.000 0.321 132 G HA3 0.578 4.537 3.960 -0.001 0.000 0.321 132 G C -1.938 173.135 174.900 0.288 0.000 1.200 132 G CA -0.791 44.417 45.100 0.181 0.000 0.963 132 G HN 0.648 nan 8.290 nan 0.000 0.483 133 Q N 0.534 120.432 119.800 0.163 0.000 2.403 133 Q HA 0.253 4.593 4.340 -0.001 0.000 0.267 133 Q C -1.788 174.285 176.000 0.123 0.000 0.991 133 Q CA -0.773 55.148 55.803 0.197 0.000 0.906 133 Q CB 0.927 29.768 28.738 0.173 0.000 1.422 133 Q HN 0.400 nan 8.270 nan 0.000 0.400 134 F N 2.336 122.271 119.950 -0.024 0.000 2.506 134 F HA 0.179 4.705 4.527 -0.001 0.000 0.351 134 F C 1.682 177.464 175.800 -0.030 0.000 1.136 134 F CA 0.079 58.030 58.000 -0.081 0.000 1.298 134 F CB 0.767 39.674 39.000 -0.155 0.000 1.145 134 F HN 0.647 nan 8.300 nan 0.000 0.593 135 I N -0.983 119.684 120.570 0.161 0.000 4.312 135 I HA 0.616 4.785 4.170 -0.001 0.000 0.324 135 I C 0.591 176.772 176.117 0.108 0.000 1.298 135 I CA 0.063 61.427 61.300 0.108 0.000 1.231 135 I CB 0.617 38.661 38.000 0.073 0.000 1.152 135 I HN 0.546 nan 8.210 nan 0.000 0.421 136 G N 0.880 109.765 108.800 0.141 0.000 2.466 136 G HA2 0.391 4.351 3.960 -0.001 0.000 0.291 136 G HA3 0.391 4.351 3.960 -0.001 0.000 0.291 136 G C -3.243 171.773 174.900 0.193 0.000 1.460 136 G CA -1.010 44.172 45.100 0.136 0.000 0.791 136 G HN -0.246 nan 8.290 nan 0.000 0.505 137 P HA -0.012 nan 4.420 nan 0.000 0.265 137 P C 0.349 177.868 177.300 0.366 0.000 1.167 137 P CA 0.744 64.031 63.100 0.310 0.000 0.760 137 P CB -0.030 31.860 31.700 0.317 0.000 0.783 138 H N -0.231 118.970 119.070 0.218 0.000 2.767 138 H HA -0.250 4.305 4.556 -0.002 0.000 0.309 138 H C 0.048 175.573 175.328 0.327 0.000 1.061 138 H CA 0.963 57.163 56.048 0.254 0.000 1.166 138 H CB -0.924 28.835 29.762 -0.005 0.000 1.363 138 H HN 0.493 nan 8.280 nan 0.000 0.376 139 R N 0.028 120.697 120.500 0.281 0.000 2.628 139 R HA 0.731 5.070 4.340 -0.001 0.000 0.288 139 R C -0.437 175.903 176.300 0.067 0.000 0.980 139 R CA -0.704 55.537 56.100 0.234 0.000 0.891 139 R CB 2.656 33.076 30.300 0.200 0.000 1.188 139 R HN 0.019 nan 8.270 nan 0.000 0.450 140 I N 1.325 121.951 120.570 0.093 0.000 2.828 140 I HA 0.369 4.538 4.170 -0.001 0.000 0.302 140 I C -1.045 175.128 176.117 0.094 0.000 1.101 140 I CA -0.967 60.314 61.300 -0.032 0.000 1.031 140 I CB 2.642 40.529 38.000 -0.189 0.000 1.231 140 I HN 0.476 nan 8.210 nan 0.000 0.427 141 K N 4.840 125.279 120.400 0.064 0.000 2.207 141 K HA 0.822 5.141 4.320 -0.001 0.000 0.255 141 K C -1.462 175.201 176.600 0.105 0.000 0.941 141 K CA -0.471 55.866 56.287 0.083 0.000 0.825 141 K CB 1.835 34.360 32.500 0.043 0.000 1.119 141 K HN 0.608 nan 8.250 nan 0.000 0.430 142 A N 2.461 125.362 122.820 0.135 0.000 2.319 142 A HA 0.367 4.686 4.320 -0.001 0.000 0.310 142 A C -0.863 176.756 177.584 0.059 0.000 1.152 142 A CA -0.655 51.458 52.037 0.127 0.000 0.783 142 A CB 1.537 20.666 19.000 0.215 0.000 1.184 142 A HN 0.679 nan 8.150 nan 0.000 0.474 143 T N 1.964 116.517 114.554 -0.001 0.000 2.770 143 T HA 0.456 4.805 4.350 -0.001 0.000 0.283 143 T C 0.453 175.060 174.700 -0.155 0.000 0.988 143 T CA -0.459 61.594 62.100 -0.079 0.000 0.957 143 T CB -0.206 68.586 68.868 -0.127 0.000 0.930 143 T HN 0.925 nan 8.240 nan 0.000 0.443 144 N N 4.276 122.917 118.700 -0.098 0.000 2.294 144 N HA 0.100 4.839 4.740 -0.001 0.000 0.275 144 N C 1.570 177.000 175.510 -0.133 0.000 1.291 144 N CA -0.274 52.724 53.050 -0.087 0.000 0.933 144 N CB 0.314 38.796 38.487 -0.008 0.000 1.096 144 N HN 0.629 nan 8.380 nan 0.000 0.525 145 N N -0.269 118.454 118.700 0.039 0.000 2.354 145 N HA -0.141 4.598 4.740 -0.001 0.000 0.179 145 N C 0.751 176.294 175.510 0.054 0.000 1.021 145 N CA 1.131 54.263 53.050 0.136 0.000 0.887 145 N CB -0.111 38.539 38.487 0.271 0.000 0.974 145 N HN 0.550 nan 8.380 nan 0.000 0.437 146 K N -0.699 119.716 120.400 0.024 0.000 2.361 146 K HA 0.158 4.477 4.320 -0.001 0.000 0.196 146 K C 0.920 177.511 176.600 -0.015 0.000 1.039 146 K CA 0.634 56.928 56.287 0.012 0.000 1.001 146 K CB 0.382 32.892 32.500 0.015 0.000 0.795 146 K HN 0.438 nan 8.250 nan 0.000 0.495 147 G N 0.865 109.641 108.800 -0.041 0.000 2.617 147 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.197 147 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.197 147 G C -0.601 174.269 174.900 -0.050 0.000 1.017 147 G CA -0.683 44.383 45.100 -0.056 0.000 0.713 147 G HN 0.063 nan 8.290 nan 0.000 0.481 148 K N 2.724 123.105 120.400 -0.033 0.000 2.530 148 K HA 0.352 4.671 4.320 -0.001 0.000 0.280 148 K C 0.615 177.197 176.600 -0.031 0.000 1.004 148 K CA 0.858 57.129 56.287 -0.026 0.000 1.071 148 K CB 0.297 32.789 32.500 -0.013 0.000 0.876 148 K HN 0.687 nan 8.250 nan 0.000 0.487 149 E N 2.365 122.546 120.200 -0.032 0.000 2.320 149 E HA 0.549 4.898 4.350 -0.001 0.000 0.264 149 E C -0.608 175.966 176.600 -0.044 0.000 0.923 149 E CA -1.138 55.244 56.400 -0.030 0.000 0.796 149 E CB 2.506 32.186 29.700 -0.035 0.000 1.262 149 E HN 0.304 nan 8.360 nan 0.000 0.428 150 K N 0.692 121.060 120.400 -0.053 0.000 2.575 150 K HA 0.509 4.829 4.320 -0.001 0.000 0.279 150 K C -1.363 175.110 176.600 -0.212 0.000 0.969 150 K CA -0.616 55.560 56.287 -0.184 0.000 0.868 150 K CB 2.114 34.445 32.500 -0.282 0.000 1.457 150 K HN 0.452 nan 8.250 nan 0.000 0.426 151 I N 2.329 122.697 120.570 -0.336 0.000 2.509 151 I HA 0.427 4.596 4.170 -0.001 0.000 0.293 151 I C -1.246 174.729 176.117 -0.237 0.000 1.020 151 I CA -0.858 60.348 61.300 -0.157 0.000 1.088 151 I CB 1.329 39.304 38.000 -0.041 0.000 1.267 151 I HN 0.511 nan 8.210 nan 0.000 0.430 152 Y N 2.676 123.045 120.300 0.115 0.000 2.545 152 Y HA 0.527 5.076 4.550 -0.001 0.000 0.348 152 Y C 0.250 176.290 175.900 0.233 0.000 1.002 152 Y CA -0.823 57.382 58.100 0.175 0.000 1.039 152 Y CB 2.121 40.683 38.460 0.171 0.000 1.271 152 Y HN 0.516 nan 8.280 nan 0.000 0.467 153 S N 1.237 117.205 115.700 0.447 0.000 2.689 153 S HA 0.980 5.449 4.470 -0.001 0.000 0.306 153 S C -0.998 173.801 174.600 0.331 0.000 1.104 153 S CA 0.043 58.499 58.200 0.427 0.000 0.973 153 S CB 1.749 65.204 63.200 0.424 0.000 1.121 153 S HN 1.318 nan 8.310 nan 0.000 0.523 154 A N 0.947 123.851 122.820 0.141 0.000 2.590 154 A HA 0.505 4.824 4.320 -0.001 0.000 0.296 154 A C 0.060 177.333 177.584 -0.519 0.000 1.050 154 A CA -0.228 51.697 52.037 -0.186 0.000 0.697 154 A CB 0.604 19.309 19.000 -0.490 0.000 1.277 154 A HN 0.942 nan 8.150 nan 0.000 0.411 155 E N 0.133 120.030 120.200 -0.504 0.000 2.347 155 E HA 0.021 4.370 4.350 -0.001 0.000 0.196 155 E C 0.483 177.071 176.600 -0.020 0.000 1.008 155 E CA 0.850 56.965 56.400 -0.476 0.000 0.852 155 E CB 0.126 29.778 29.700 -0.081 0.000 0.783 155 E HN 0.496 nan 8.360 nan 0.000 0.505 156 R N -1.150 119.348 120.500 -0.003 0.000 2.710 156 R HA 0.391 4.730 4.340 -0.001 0.000 0.270 156 R C -1.643 174.654 176.300 -0.005 0.000 1.021 156 R CA -0.681 55.569 56.100 0.249 0.000 0.889 156 R CB 1.307 31.769 30.300 0.271 0.000 1.243 156 R HN -0.108 nan 8.270 nan 0.000 0.464 157 F N 1.027 121.151 119.950 0.289 0.000 2.576 157 F HA 0.535 5.061 4.527 -0.001 0.000 0.313 157 F C -0.805 175.130 175.800 0.225 0.000 1.078 157 F CA -0.882 57.248 58.000 0.216 0.000 0.921 157 F CB 1.831 40.992 39.000 0.268 0.000 1.232 157 F HN 0.155 nan 8.300 nan 0.000 0.459 158 L N 4.178 125.604 121.223 0.338 0.000 2.349 158 L HA 0.628 4.967 4.340 -0.001 0.000 0.278 158 L C -1.017 175.996 176.870 0.237 0.000 0.996 158 L CA -0.445 54.552 54.840 0.262 0.000 0.825 158 L CB 1.246 43.402 42.059 0.162 0.000 1.243 158 L HN 0.431 nan 8.230 nan 0.000 0.412 159 I N 5.157 125.858 120.570 0.218 0.000 2.297 159 I HA 0.588 4.757 4.170 -0.001 0.000 0.291 159 I C 0.257 176.445 176.117 0.118 0.000 1.033 159 I CA -0.317 61.088 61.300 0.174 0.000 1.253 159 I CB 1.215 39.299 38.000 0.140 0.000 1.396 159 I HN 0.768 nan 8.210 nan 0.000 0.476 160 A N 3.717 126.594 122.820 0.094 0.000 3.370 160 A HA 0.360 4.679 4.320 -0.001 0.000 0.295 160 A C 0.707 178.322 177.584 0.052 0.000 1.030 160 A CA -0.425 51.653 52.037 0.069 0.000 0.883 160 A CB -0.134 18.902 19.000 0.060 0.000 1.191 160 A HN 0.750 nan 8.150 nan 0.000 0.507 161 T N -2.549 112.037 114.554 0.054 0.000 3.065 161 T HA 0.465 4.814 4.350 -0.001 0.000 0.252 161 T C 1.336 176.064 174.700 0.048 0.000 1.099 161 T CA 0.951 63.075 62.100 0.040 0.000 1.063 161 T CB -0.072 68.819 68.868 0.039 0.000 0.948 161 T HN 2.147 nan 8.240 nan 0.000 0.506 162 G N 1.290 110.121 108.800 0.053 0.000 2.645 162 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.239 162 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.239 162 G C -0.731 174.208 174.900 0.065 0.000 1.331 162 G CA -0.083 45.053 45.100 0.060 0.000 0.890 162 G HN 0.627 nan 8.290 nan 0.000 0.572 163 E N -0.596 119.649 120.200 0.074 0.000 2.446 163 E HA 0.800 5.149 4.350 -0.001 0.000 0.267 163 E C -0.392 176.268 176.600 0.099 0.000 0.955 163 E CA -1.168 55.278 56.400 0.076 0.000 0.842 163 E CB 1.594 31.328 29.700 0.058 0.000 1.504 163 E HN 0.507 nan 8.360 nan 0.000 0.438 164 R N 0.147 120.704 120.500 0.096 0.000 2.739 164 R HA 0.407 4.746 4.340 -0.001 0.000 0.271 164 R C -2.855 173.494 176.300 0.082 0.000 1.010 164 R CA -2.498 53.673 56.100 0.118 0.000 0.897 164 R CB 0.630 31.019 30.300 0.147 0.000 1.236 164 R HN 0.300 nan 8.270 nan 0.000 0.466 165 P HA 0.072 nan 4.420 nan 0.000 0.263 165 P C -0.159 177.127 177.300 -0.023 0.000 1.195 165 P CA 0.078 63.166 63.100 -0.020 0.000 0.762 165 P CB 0.469 32.122 31.700 -0.078 0.000 0.799 166 R N 3.537 124.021 120.500 -0.028 0.000 2.531 166 R HA 0.301 4.640 4.340 -0.001 0.000 0.273 166 R C -0.676 175.621 176.300 -0.006 0.000 1.070 166 R CA -0.140 55.983 56.100 0.037 0.000 1.112 166 R CB 0.291 30.611 30.300 0.034 0.000 1.049 166 R HN 0.369 nan 8.270 nan 0.000 0.508 167 Y N 1.628 121.945 120.300 0.029 0.000 2.631 167 Y HA 0.391 4.940 4.550 -0.001 0.000 0.328 167 Y C -0.098 175.817 175.900 0.025 0.000 1.118 167 Y CA -0.846 57.271 58.100 0.028 0.000 1.206 167 Y CB 1.551 40.029 38.460 0.031 0.000 1.337 167 Y HN 0.360 nan 8.280 nan 0.000 0.515 168 L N 0.707 122.087 121.223 0.262 0.000 2.309 168 L HA 0.471 4.811 4.340 -0.001 0.000 0.282 168 L C 0.659 177.604 176.870 0.124 0.000 1.036 168 L CA -0.717 54.210 54.840 0.145 0.000 0.806 168 L CB 1.280 43.411 42.059 0.119 0.000 1.220 168 L HN 0.844 nan 8.230 nan 0.000 0.429 169 G N 4.906 113.754 108.800 0.080 0.000 2.924 169 G HA2 0.427 4.386 3.960 -0.001 0.000 0.273 169 G HA3 0.427 4.386 3.960 -0.001 0.000 0.273 169 G C -0.231 174.697 174.900 0.047 0.000 0.734 169 G CA 0.034 45.164 45.100 0.049 0.000 2.065 169 G HN 0.544 nan 8.290 nan 0.000 0.580 170 I N -1.908 118.696 120.570 0.057 0.000 2.802 170 I HA 0.585 4.754 4.170 -0.001 0.000 0.298 170 I C -2.573 173.581 176.117 0.062 0.000 1.176 170 I CA -3.302 58.034 61.300 0.059 0.000 1.025 170 I CB 2.537 40.582 38.000 0.074 0.000 1.243 170 I HN -0.065 nan 8.210 nan 0.000 0.424 171 P HA 0.027 nan 4.420 nan 0.000 0.263 171 P C 0.906 178.279 177.300 0.121 0.000 1.175 171 P CA 1.458 64.604 63.100 0.076 0.000 0.761 171 P CB 0.574 32.315 31.700 0.069 0.000 0.794 172 G N 3.115 112.009 108.800 0.157 0.000 2.205 172 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.261 172 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.261 172 G C 0.720 175.767 174.900 0.245 0.000 0.980 172 G CA 0.809 46.096 45.100 0.312 0.000 0.632 172 G HN 0.603 nan 8.290 nan 0.000 0.533 173 D N 0.860 121.347 120.400 0.145 0.000 2.083 173 D HA -0.039 4.601 4.640 -0.001 0.000 0.199 173 D C 2.042 178.416 176.300 0.124 0.000 0.980 173 D CA 1.521 55.634 54.000 0.187 0.000 0.851 173 D CB -0.768 40.196 40.800 0.273 0.000 0.997 173 D HN 0.405 nan 8.370 nan 0.000 0.449 174 K N 0.385 120.677 120.400 -0.180 0.000 2.286 174 K HA -0.144 4.175 4.320 -0.001 0.000 0.203 174 K C 1.974 178.489 176.600 -0.141 0.000 1.045 174 K CA 1.522 57.608 56.287 -0.336 0.000 0.935 174 K CB -0.133 32.044 32.500 -0.539 0.000 0.737 174 K HN 0.516 nan 8.250 nan 0.000 0.460 175 E N -0.420 119.663 120.200 -0.194 0.000 2.190 175 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 175 E C 1.143 177.439 176.600 -0.507 0.000 0.978 175 E CA 1.127 57.279 56.400 -0.414 0.000 0.839 175 E CB -0.117 29.204 29.700 -0.632 0.000 0.787 175 E HN 0.440 nan 8.360 nan 0.000 0.473 176 Y N 0.474 120.816 120.300 0.069 0.000 2.467 176 Y HA 0.263 4.813 4.550 -0.001 0.000 0.259 176 Y C 1.201 177.159 175.900 0.097 0.000 1.084 176 Y CA -0.920 57.224 58.100 0.074 0.000 1.275 176 Y CB 0.347 38.841 38.460 0.057 0.000 1.208 176 Y HN -0.051 nan 8.280 nan 0.000 0.511 177 C N 2.883 122.329 119.300 0.244 0.000 2.539 177 C HA 0.554 5.013 4.460 -0.001 0.000 0.392 177 C C 0.672 175.768 174.990 0.177 0.000 1.269 177 C CA -1.123 58.015 59.018 0.201 0.000 2.250 177 C CB -0.768 27.107 27.740 0.226 0.000 2.584 177 C HN 0.339 nan 8.230 nan 0.000 0.589 178 I N 1.248 121.874 120.570 0.094 0.000 2.982 178 I HA 0.884 5.053 4.170 -0.001 0.000 0.312 178 I C 0.037 176.134 176.117 -0.034 0.000 1.041 178 I CA -0.073 61.261 61.300 0.057 0.000 1.053 178 I CB 1.953 39.975 38.000 0.037 0.000 1.248 178 I HN 0.674 nan 8.210 nan 0.000 0.471 179 S N 1.350 117.019 115.700 -0.053 0.000 2.840 179 S HA 0.410 4.879 4.470 -0.001 0.000 0.307 179 S C 0.751 175.290 174.600 -0.102 0.000 1.180 179 S CA 0.031 58.160 58.200 -0.118 0.000 0.846 179 S CB 1.003 64.092 63.200 -0.184 0.000 1.233 179 S HN 0.769 nan 8.310 nan 0.000 0.548 180 S N 1.419 117.063 115.700 -0.093 0.000 2.372 180 S HA -0.189 4.280 4.470 -0.001 0.000 0.227 180 S C 1.200 175.759 174.600 -0.069 0.000 1.044 180 S CA 1.937 60.083 58.200 -0.090 0.000 1.050 180 S CB -1.088 62.142 63.200 0.050 0.000 0.901 180 S HN 0.764 nan 8.310 nan 0.000 0.447 181 D N 1.673 122.094 120.400 0.035 0.000 2.149 181 D HA -0.101 4.538 4.640 -0.001 0.000 0.198 181 D C 1.566 177.959 176.300 0.154 0.000 0.990 181 D CA 1.312 55.388 54.000 0.126 0.000 0.839 181 D CB -0.352 40.660 40.800 0.353 0.000 0.948 181 D HN 0.567 nan 8.370 nan 0.000 0.460 182 D N -0.136 120.319 120.400 0.091 0.000 2.262 182 D HA -0.052 4.587 4.640 -0.001 0.000 0.212 182 D C 2.272 178.586 176.300 0.023 0.000 0.964 182 D CA -0.083 53.977 54.000 0.099 0.000 0.875 182 D CB -0.012 40.842 40.800 0.091 0.000 0.996 182 D HN 0.094 nan 8.370 nan 0.000 0.497 183 L N 1.167 122.324 121.223 -0.109 0.000 2.013 183 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 183 L C 1.771 178.586 176.870 -0.092 0.000 1.073 183 L CA 1.703 56.451 54.840 -0.154 0.000 0.753 183 L CB -0.980 40.868 42.059 -0.351 0.000 0.890 183 L HN -0.154 nan 8.230 nan 0.000 0.432 184 F N -0.177 119.834 119.950 0.102 0.000 2.664 184 F HA -0.027 4.499 4.527 -0.001 0.000 0.297 184 F C 1.949 177.751 175.800 0.003 0.000 1.164 184 F CA 0.861 58.868 58.000 0.011 0.000 1.472 184 F CB -0.966 37.989 39.000 -0.076 0.000 1.108 184 F HN 0.319 nan 8.300 nan 0.000 0.596 185 S N -1.785 114.022 115.700 0.178 0.000 2.847 185 S HA 0.228 4.698 4.470 -0.001 0.000 0.254 185 S C 0.139 174.837 174.600 0.162 0.000 1.039 185 S CA -0.485 57.807 58.200 0.153 0.000 1.113 185 S CB -0.246 63.057 63.200 0.171 0.000 1.092 185 S HN 0.022 nan 8.310 nan 0.000 0.620 186 L N 4.785 126.128 121.223 0.199 0.000 2.678 186 L HA 0.109 4.448 4.340 -0.001 0.000 0.285 186 L C -1.471 175.500 176.870 0.167 0.000 1.233 186 L CA -0.535 54.359 54.840 0.091 0.000 0.920 186 L CB 0.250 42.339 42.059 0.048 0.000 1.176 186 L HN 0.041 nan 8.230 nan 0.000 0.495 187 P HA 0.003 nan 4.420 nan 0.000 0.249 187 P C -1.240 176.186 177.300 0.209 0.000 1.229 187 P CA 0.511 63.707 63.100 0.160 0.000 0.788 187 P CB -0.018 31.799 31.700 0.195 0.000 1.072 188 Y N -3.268 117.124 120.300 0.153 0.000 2.588 188 Y HA 0.508 5.058 4.550 -0.001 0.000 0.343 188 Y C -0.416 175.225 175.900 -0.431 0.000 1.065 188 Y CA -2.084 56.009 58.100 -0.010 0.000 1.038 188 Y CB 0.047 38.492 38.460 -0.025 0.000 1.297 188 Y HN -0.286 nan 8.280 nan 0.000 0.467 189 C N 5.553 124.626 119.300 -0.377 0.000 2.638 189 C HA 0.164 4.623 4.460 -0.001 0.000 0.410 189 C C -0.578 174.123 174.990 -0.482 0.000 1.404 189 C CA -1.021 57.553 59.018 -0.741 0.000 1.651 189 C CB -0.125 27.508 27.740 -0.179 0.000 2.495 189 C HN 0.769 nan 8.230 nan 0.000 0.606 190 P HA 0.093 nan 4.420 nan 0.000 0.228 190 P C 0.935 178.157 177.300 -0.130 0.000 1.151 190 P CA 1.753 64.656 63.100 -0.329 0.000 0.770 190 P CB -0.191 31.256 31.700 -0.422 0.000 0.786 191 G N 1.102 109.825 108.800 -0.128 0.000 2.633 191 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.263 191 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.263 191 G C -0.390 174.497 174.900 -0.021 0.000 1.310 191 G CA -0.050 45.025 45.100 -0.042 0.000 0.914 191 G HN 0.553 nan 8.290 nan 0.000 0.569 192 K N 0.803 121.215 120.400 0.021 0.000 2.405 192 K HA 0.323 4.642 4.320 -0.001 0.000 0.273 192 K C 0.828 177.459 176.600 0.052 0.000 1.116 192 K CA 1.110 57.433 56.287 0.061 0.000 1.155 192 K CB -0.394 32.173 32.500 0.112 0.000 0.858 192 K HN 1.005 nan 8.250 nan 0.000 0.477 193 T N 2.395 116.926 114.554 -0.038 0.000 2.932 193 T HA 0.549 4.898 4.350 -0.001 0.000 0.289 193 T C -1.092 173.393 174.700 -0.359 0.000 1.039 193 T CA -1.166 60.841 62.100 -0.156 0.000 1.024 193 T CB 1.348 70.125 68.868 -0.152 0.000 1.090 193 T HN 0.415 nan 8.240 nan 0.000 0.496 194 L N 3.001 123.908 121.223 -0.526 0.000 2.376 194 L HA 0.784 5.123 4.340 -0.001 0.000 0.275 194 L C -1.384 175.251 176.870 -0.393 0.000 0.987 194 L CA -0.677 53.748 54.840 -0.692 0.000 0.828 194 L CB 1.794 43.034 42.059 -1.365 0.000 1.249 194 L HN 0.627 nan 8.230 nan 0.000 0.409 195 V N 5.494 125.218 119.914 -0.317 0.000 2.472 195 V HA 0.605 4.724 4.120 -0.001 0.000 0.290 195 V C -0.338 175.636 176.094 -0.200 0.000 1.037 195 V CA -0.586 61.574 62.300 -0.234 0.000 0.908 195 V CB 1.898 33.582 31.823 -0.231 0.000 0.985 195 V HN 0.590 nan 8.190 nan 0.000 0.454 196 V N 3.833 123.662 119.914 -0.142 0.000 2.417 196 V HA 0.981 5.100 4.120 -0.001 0.000 0.291 196 V C 0.457 176.509 176.094 -0.069 0.000 1.024 196 V CA 0.382 62.626 62.300 -0.093 0.000 0.861 196 V CB 0.797 32.586 31.823 -0.057 0.000 0.985 196 V HN 1.331 nan 8.190 nan 0.000 0.436 197 G N 3.710 112.483 108.800 -0.045 0.000 2.440 197 G HA2 0.467 4.426 3.960 -0.001 0.000 0.684 197 G HA3 0.467 4.426 3.960 -0.001 0.000 0.684 197 G C -0.414 174.478 174.900 -0.014 0.000 1.309 197 G CA -0.052 45.035 45.100 -0.021 0.000 0.931 197 G HN 1.693 nan 8.290 nan 0.000 0.612 198 A N -0.087 122.748 122.820 0.024 0.000 3.045 198 A HA 0.790 5.109 4.320 -0.001 0.000 0.244 198 A C 0.645 178.289 177.584 0.100 0.000 0.917 198 A CA 1.110 53.184 52.037 0.061 0.000 1.075 198 A CB -0.321 18.737 19.000 0.097 0.000 1.202 198 A HN 2.318 nan 8.150 nan 0.000 0.486 199 S N -0.711 115.029 115.700 0.068 0.000 2.693 199 S HA 0.471 4.941 4.470 -0.001 0.000 0.276 199 S C 1.149 175.850 174.600 0.168 0.000 1.192 199 S CA -0.016 58.233 58.200 0.080 0.000 0.994 199 S CB 0.281 63.446 63.200 -0.058 0.000 1.012 199 S HN 0.944 nan 8.310 nan 0.000 0.550 200 Y N -0.066 120.355 120.300 0.202 0.000 2.151 200 Y HA -0.114 4.435 4.550 -0.001 0.000 0.284 200 Y C 1.840 177.819 175.900 0.131 0.000 1.166 200 Y CA 1.332 59.537 58.100 0.175 0.000 1.163 200 Y CB -1.184 37.419 38.460 0.238 0.000 0.974 200 Y HN 0.301 nan 8.280 nan 0.000 0.511 201 V N 1.610 121.640 119.914 0.192 0.000 2.324 201 V HA -0.374 3.745 4.120 -0.001 0.000 0.250 201 V C 2.964 179.128 176.094 0.116 0.000 1.060 201 V CA 1.790 64.206 62.300 0.193 0.000 1.042 201 V CB -1.547 30.285 31.823 0.015 0.000 0.650 201 V HN 0.693 nan 8.190 nan 0.000 0.450 202 A N 0.326 123.170 122.820 0.041 0.000 1.842 202 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 202 A C 2.195 179.761 177.584 -0.029 0.000 1.206 202 A CA 2.309 54.335 52.037 -0.019 0.000 0.630 202 A CB -0.765 18.222 19.000 -0.021 0.000 0.839 202 A HN 0.495 nan 8.150 nan 0.000 0.447 203 L N -0.968 120.274 121.223 0.032 0.000 2.042 203 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 203 L C 2.637 179.523 176.870 0.028 0.000 1.076 203 L CA 1.869 56.728 54.840 0.031 0.000 0.749 203 L CB -0.900 41.220 42.059 0.102 0.000 0.893 203 L HN 0.504 nan 8.230 nan 0.000 0.432 204 E N -0.269 119.995 120.200 0.106 0.000 2.058 204 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 204 E C 2.322 178.927 176.600 0.007 0.000 0.997 204 E CA 1.892 58.389 56.400 0.161 0.000 0.801 204 E CB -0.175 29.712 29.700 0.311 0.000 0.746 204 E HN 0.564 nan 8.360 nan 0.000 0.450 205 C N 0.387 119.579 119.300 -0.180 0.000 2.457 205 C HA 0.012 4.471 4.460 -0.001 0.000 0.278 205 C C 2.841 177.278 174.990 -0.922 0.000 1.309 205 C CA 0.466 58.894 59.018 -0.982 0.000 1.735 205 C CB -0.918 26.581 27.740 -0.401 0.000 1.992 205 C HN 0.504 nan 8.230 nan 0.000 0.493 206 A N 1.335 123.904 122.820 -0.418 0.000 1.883 206 A HA 0.021 4.340 4.320 -0.001 0.000 0.217 206 A C 2.391 179.823 177.584 -0.254 0.000 1.186 206 A CA 2.241 54.092 52.037 -0.310 0.000 0.624 206 A CB -1.362 17.500 19.000 -0.230 0.000 0.822 206 A HN 0.532 nan 8.150 nan 0.000 0.444 207 G N 0.069 108.768 108.800 -0.168 0.000 2.480 207 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 207 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 207 G C 1.404 176.333 174.900 0.049 0.000 1.200 207 G CA 1.467 46.563 45.100 -0.007 0.000 0.782 207 G HN 0.825 nan 8.290 nan 0.000 0.554 208 F N 0.523 120.557 119.950 0.140 0.000 2.259 208 F HA 0.249 4.775 4.527 -0.001 0.000 0.298 208 F C 2.222 178.086 175.800 0.108 0.000 1.088 208 F CA 0.327 58.416 58.000 0.148 0.000 1.358 208 F CB -0.656 38.455 39.000 0.185 0.000 1.040 208 F HN 0.052 nan 8.300 nan 0.000 0.505 209 L N 0.806 121.952 121.223 -0.129 0.000 2.017 209 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 209 L C 2.991 179.888 176.870 0.045 0.000 1.073 209 L CA 1.409 56.269 54.840 0.034 0.000 0.745 209 L CB -1.180 40.783 42.059 -0.159 0.000 0.894 209 L HN 0.374 nan 8.230 nan 0.000 0.432 210 A N 0.380 123.195 122.820 -0.008 0.000 1.858 210 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 210 A C 2.358 179.981 177.584 0.066 0.000 1.190 210 A CA 1.792 53.845 52.037 0.026 0.000 0.617 210 A CB -1.368 17.644 19.000 0.021 0.000 0.827 210 A HN 0.457 nan 8.150 nan 0.000 0.443 211 G N -0.745 108.115 108.800 0.100 0.000 2.479 211 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.220 211 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.220 211 G C 1.234 176.169 174.900 0.059 0.000 1.115 211 G CA 1.212 46.373 45.100 0.102 0.000 0.757 211 G HN 0.445 nan 8.290 nan 0.000 0.560 212 I N 0.223 120.823 120.570 0.050 0.000 3.684 212 I HA 0.325 4.494 4.170 -0.001 0.000 0.304 212 I C 1.794 177.914 176.117 0.005 0.000 1.278 212 I CA 0.787 62.047 61.300 -0.066 0.000 1.272 212 I CB 0.278 38.209 38.000 -0.115 0.000 1.029 212 I HN 0.249 nan 8.210 nan 0.000 0.458 213 G N -0.113 108.718 108.800 0.051 0.000 2.168 213 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.197 213 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.197 213 G C 0.185 175.122 174.900 0.062 0.000 0.997 213 G CA -0.135 45.005 45.100 0.066 0.000 0.658 213 G HN 0.227 nan 8.290 nan 0.000 0.513 214 L N 0.913 122.169 121.223 0.054 0.000 2.344 214 L HA 0.483 4.822 4.340 -0.001 0.000 0.272 214 L C 0.067 176.947 176.870 0.017 0.000 1.035 214 L CA -1.000 53.859 54.840 0.033 0.000 0.807 214 L CB 1.221 43.291 42.059 0.018 0.000 1.237 214 L HN 0.087 nan 8.230 nan 0.000 0.442 215 D N 2.123 122.532 120.400 0.016 0.000 2.346 215 D HA 0.216 4.856 4.640 -0.001 0.000 0.260 215 D C -0.964 175.334 176.300 -0.003 0.000 1.252 215 D CA 0.076 54.088 54.000 0.019 0.000 0.895 215 D CB 0.950 41.772 40.800 0.038 0.000 1.097 215 D HN 0.082 nan 8.370 nan 0.000 0.489 216 V N 3.388 123.289 119.914 -0.021 0.000 2.735 216 V HA 0.508 4.627 4.120 -0.001 0.000 0.310 216 V C 0.279 176.311 176.094 -0.103 0.000 1.061 216 V CA -0.720 61.531 62.300 -0.083 0.000 0.913 216 V CB 2.323 34.080 31.823 -0.112 0.000 1.005 216 V HN 0.553 nan 8.190 nan 0.000 0.428 217 T N 2.325 116.768 114.554 -0.184 0.000 2.900 217 T HA 0.687 5.036 4.350 -0.001 0.000 0.295 217 T C -0.971 173.535 174.700 -0.324 0.000 1.044 217 T CA -0.589 61.390 62.100 -0.202 0.000 0.995 217 T CB 2.136 70.950 68.868 -0.091 0.000 1.072 217 T HN 0.367 nan 8.240 nan 0.000 0.473 218 V N 2.866 122.530 119.914 -0.416 0.000 2.409 218 V HA 0.436 4.555 4.120 -0.001 0.000 0.290 218 V C -0.369 175.554 176.094 -0.284 0.000 1.017 218 V CA -0.712 61.325 62.300 -0.439 0.000 0.841 218 V CB 1.581 32.977 31.823 -0.712 0.000 1.003 218 V HN 0.905 nan 8.190 nan 0.000 0.426 219 M N 5.852 125.355 119.600 -0.161 0.000 2.180 219 M HA 0.609 5.088 4.480 -0.001 0.000 0.358 219 M C -1.253 175.049 176.300 0.004 0.000 1.233 219 M CA -0.090 55.187 55.300 -0.040 0.000 1.114 219 M CB 1.232 33.826 32.600 -0.010 0.000 1.594 219 M HN 0.448 nan 8.290 nan 0.000 0.467 220 V N 5.861 125.822 119.914 0.079 0.000 2.628 220 V HA 0.414 4.533 4.120 -0.001 0.000 0.306 220 V C 0.713 176.876 176.094 0.114 0.000 1.045 220 V CA -0.636 61.720 62.300 0.093 0.000 0.905 220 V CB 1.866 33.770 31.823 0.135 0.000 0.997 220 V HN 0.970 nan 8.190 nan 0.000 0.436 221 R N 1.332 121.882 120.500 0.084 0.000 2.052 221 R HA 0.010 4.349 4.340 -0.001 0.000 0.226 221 R C 1.729 178.067 176.300 0.064 0.000 1.145 221 R CA 1.777 57.919 56.100 0.070 0.000 0.952 221 R CB 0.144 30.473 30.300 0.048 0.000 0.847 221 R HN 0.794 nan 8.270 nan 0.000 0.431 222 S N -0.578 115.161 115.700 0.065 0.000 3.375 222 S HA 0.272 4.741 4.470 -0.001 0.000 0.178 222 S C 0.602 175.247 174.600 0.075 0.000 0.868 222 S CA -0.279 57.957 58.200 0.059 0.000 1.129 222 S CB -0.436 62.791 63.200 0.045 0.000 1.035 222 S HN 0.260 nan 8.310 nan 0.000 0.840 223 I N 1.191 121.805 120.570 0.074 0.000 2.797 223 I HA 0.521 4.690 4.170 -0.001 0.000 0.310 223 I C -0.981 175.202 176.117 0.110 0.000 0.990 223 I CA -0.952 60.399 61.300 0.085 0.000 1.228 223 I CB 0.788 38.835 38.000 0.077 0.000 1.406 223 I HN 0.409 nan 8.210 nan 0.000 0.534 224 L N 4.053 125.351 121.223 0.125 0.000 2.334 224 L HA 0.339 4.678 4.340 -0.001 0.000 0.277 224 L C 0.162 177.144 176.870 0.188 0.000 1.075 224 L CA -0.890 54.043 54.840 0.156 0.000 0.804 224 L CB 1.015 43.171 42.059 0.160 0.000 1.174 224 L HN 0.634 nan 8.230 nan 0.000 0.438 225 L N 2.180 123.544 121.223 0.234 0.000 3.895 225 L HA -0.237 4.102 4.340 -0.001 0.000 0.511 225 L C 0.765 177.835 176.870 0.332 0.000 1.222 225 L CA 0.238 55.302 54.840 0.374 0.000 0.739 225 L CB -1.305 41.043 42.059 0.482 0.000 1.425 225 L HN 0.697 nan 8.230 nan 0.000 0.817 226 R N 1.164 121.780 120.500 0.193 0.000 2.538 226 R HA 0.280 4.619 4.340 -0.001 0.000 0.282 226 R C 1.416 177.755 176.300 0.065 0.000 1.009 226 R CA 1.233 57.403 56.100 0.117 0.000 1.063 226 R CB 0.395 30.737 30.300 0.070 0.000 0.945 226 R HN 0.562 nan 8.270 nan 0.000 0.414 227 G N 3.414 112.240 108.800 0.044 0.000 2.397 227 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.211 227 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.211 227 G C -0.168 174.712 174.900 -0.032 0.000 1.077 227 G CA -0.125 44.937 45.100 -0.063 0.000 0.649 227 G HN 0.499 nan 8.290 nan 0.000 0.511 228 F N 2.495 122.543 119.950 0.163 0.000 2.375 228 F HA 0.488 5.014 4.527 -0.002 0.000 0.313 228 F C 0.951 176.871 175.800 0.199 0.000 1.176 228 F CA -0.520 57.614 58.000 0.224 0.000 1.142 228 F CB 0.426 39.605 39.000 0.298 0.000 1.275 228 F HN 0.091 nan 8.300 nan 0.000 0.544 229 D N 1.754 122.450 120.400 0.494 0.000 2.472 229 D HA -0.089 4.551 4.640 -0.001 0.000 0.248 229 D C 0.776 177.164 176.300 0.147 0.000 1.174 229 D CA 0.118 54.261 54.000 0.237 0.000 0.883 229 D CB 0.966 41.828 40.800 0.103 0.000 1.149 229 D HN 0.437 nan 8.370 nan 0.000 0.488 230 Q N 3.084 122.942 119.800 0.095 0.000 2.170 230 Q HA -0.164 4.175 4.340 -0.001 0.000 0.203 230 Q C 1.267 177.267 176.000 -0.000 0.000 0.976 230 Q CA 1.122 56.961 55.803 0.061 0.000 0.858 230 Q CB -0.108 28.663 28.738 0.055 0.000 0.907 230 Q HN 0.658 nan 8.270 nan 0.000 0.433 231 D N -0.002 120.379 120.400 -0.031 0.000 2.097 231 D HA -0.148 4.491 4.640 -0.001 0.000 0.195 231 D C 1.739 177.961 176.300 -0.130 0.000 0.989 231 D CA 1.077 55.033 54.000 -0.073 0.000 0.827 231 D CB 0.161 40.925 40.800 -0.059 0.000 0.966 231 D HN 0.001 nan 8.370 nan 0.000 0.456 232 M N 0.674 120.178 119.600 -0.160 0.000 2.067 232 M HA -0.022 4.457 4.480 -0.001 0.000 0.260 232 M C 2.452 178.572 176.300 -0.300 0.000 1.069 232 M CA 1.462 56.562 55.300 -0.334 0.000 1.117 232 M CB -1.631 30.598 32.600 -0.619 0.000 1.334 232 M HN 0.148 nan 8.290 nan 0.000 0.407 233 A N 1.095 123.826 122.820 -0.149 0.000 1.873 233 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 233 A C 2.053 179.612 177.584 -0.042 0.000 1.193 233 A CA 2.120 54.130 52.037 -0.045 0.000 0.629 233 A CB -0.999 18.050 19.000 0.081 0.000 0.826 233 A HN 0.561 nan 8.150 nan 0.000 0.447 234 N N -0.155 118.517 118.700 -0.048 0.000 2.149 234 N HA -0.163 4.576 4.740 -0.001 0.000 0.188 234 N C 1.646 177.107 175.510 -0.082 0.000 1.019 234 N CA 1.696 54.713 53.050 -0.055 0.000 0.857 234 N CB -0.320 38.132 38.487 -0.058 0.000 0.997 234 N HN 0.589 nan 8.380 nan 0.000 0.426 235 K N 0.385 120.714 120.400 -0.117 0.000 2.097 235 K HA -0.005 4.315 4.320 -0.001 0.000 0.205 235 K C 1.981 178.551 176.600 -0.051 0.000 1.050 235 K CA 0.727 56.947 56.287 -0.112 0.000 0.938 235 K CB -0.064 32.324 32.500 -0.186 0.000 0.718 235 K HN 0.053 nan 8.250 nan 0.000 0.442 236 I N 0.521 121.050 120.570 -0.068 0.000 2.226 236 I HA -0.189 3.980 4.170 -0.001 0.000 0.245 236 I C 2.376 178.534 176.117 0.069 0.000 1.100 236 I CA 1.562 62.868 61.300 0.012 0.000 1.374 236 I CB -0.896 37.108 38.000 0.006 0.000 1.057 236 I HN 0.224 nan 8.210 nan 0.000 0.413 237 G N 0.162 108.975 108.800 0.022 0.000 2.545 237 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 237 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 237 G C 1.566 176.368 174.900 -0.164 0.000 1.218 237 G CA 0.881 45.954 45.100 -0.045 0.000 0.787 237 G HN 0.430 nan 8.290 nan 0.000 0.571 238 E N -0.575 119.548 120.200 -0.129 0.000 2.114 238 E HA -0.242 4.107 4.350 -0.001 0.000 0.199 238 E C 2.189 178.767 176.600 -0.037 0.000 1.008 238 E CA 1.103 57.433 56.400 -0.116 0.000 0.810 238 E CB -0.322 29.334 29.700 -0.072 0.000 0.739 238 E HN 0.597 nan 8.360 nan 0.000 0.456 239 H N 0.332 119.384 119.070 -0.029 0.000 2.353 239 H HA -0.077 4.478 4.556 -0.001 0.000 0.300 239 H C 2.113 177.488 175.328 0.079 0.000 1.090 239 H CA 1.450 57.513 56.048 0.025 0.000 1.327 239 H CB 0.052 29.799 29.762 -0.024 0.000 1.383 239 H HN 0.165 nan 8.280 nan 0.000 0.508 240 M N 0.224 119.848 119.600 0.040 0.000 2.132 240 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 240 M C 2.435 178.811 176.300 0.126 0.000 1.065 240 M CA 1.567 56.937 55.300 0.118 0.000 1.122 240 M CB -0.234 32.557 32.600 0.317 0.000 1.365 240 M HN 0.320 nan 8.290 nan 0.000 0.411 241 E N 0.931 121.128 120.200 -0.005 0.000 2.110 241 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 241 E C 1.463 178.044 176.600 -0.032 0.000 0.988 241 E CA 1.189 57.553 56.400 -0.059 0.000 0.804 241 E CB 0.089 29.579 29.700 -0.351 0.000 0.745 241 E HN 0.543 nan 8.360 nan 0.000 0.458 242 E N -0.837 119.331 120.200 -0.053 0.000 2.418 242 E HA -0.102 4.247 4.350 -0.001 0.000 0.197 242 E C 0.050 176.568 176.600 -0.137 0.000 1.026 242 E CA 0.428 56.779 56.400 -0.081 0.000 0.862 242 E CB 0.101 29.763 29.700 -0.064 0.000 0.799 242 E HN 0.353 nan 8.360 nan 0.000 0.518 243 H N -1.085 117.869 119.070 -0.193 0.000 2.500 243 H HA 0.300 4.856 4.556 -0.001 0.000 0.243 243 H C 0.632 175.929 175.328 -0.051 0.000 1.318 243 H CA 0.218 56.176 56.048 -0.151 0.000 1.077 243 H CB 0.789 30.407 29.762 -0.239 0.000 1.748 243 H HN 0.228 nan 8.280 nan 0.000 0.556 244 G N 0.389 109.223 108.800 0.057 0.000 4.391 244 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.210 244 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.210 244 G C 0.124 175.076 174.900 0.087 0.000 1.547 244 G CA -0.329 44.807 45.100 0.060 0.000 1.103 244 G HN 0.275 nan 8.290 nan 0.000 0.637 245 I N 3.729 124.368 120.570 0.115 0.000 3.148 245 I HA 0.071 4.240 4.170 -0.001 0.000 0.317 245 I C 1.052 177.331 176.117 0.271 0.000 1.237 245 I CA 1.090 62.473 61.300 0.138 0.000 1.423 245 I CB 0.166 38.274 38.000 0.180 0.000 1.352 245 I HN 0.282 nan 8.210 nan 0.000 0.526 246 K N 7.077 127.564 120.400 0.146 0.000 2.110 246 K HA 0.635 4.954 4.320 -0.001 0.000 0.263 246 K C -0.702 176.035 176.600 0.229 0.000 0.975 246 K CA -0.519 55.913 56.287 0.241 0.000 0.895 246 K CB 1.305 33.870 32.500 0.107 0.000 1.060 246 K HN 0.273 nan 8.250 nan 0.000 0.448 247 F N 1.139 121.084 119.950 -0.008 0.000 2.579 247 F HA 0.544 5.071 4.527 -0.002 0.000 0.324 247 F C 0.218 176.012 175.800 -0.010 0.000 1.058 247 F CA -1.340 56.657 58.000 -0.005 0.000 0.944 247 F CB 1.697 40.701 39.000 0.007 0.000 1.245 247 F HN 0.106 nan 8.300 nan 0.000 0.477 248 I N 2.966 123.620 120.570 0.141 0.000 2.503 248 I HA 0.351 4.520 4.170 -0.001 0.000 0.282 248 I C -0.864 175.347 176.117 0.156 0.000 1.059 248 I CA -0.751 60.581 61.300 0.052 0.000 1.081 248 I CB 1.425 39.377 38.000 -0.079 0.000 1.210 248 I HN 0.477 nan 8.210 nan 0.000 0.450 249 R N 5.360 125.992 120.500 0.220 0.000 2.540 249 R HA 0.409 4.748 4.340 -0.001 0.000 0.287 249 R C 0.085 176.589 176.300 0.340 0.000 0.980 249 R CA -0.477 55.774 56.100 0.251 0.000 0.966 249 R CB 1.212 31.626 30.300 0.190 0.000 1.106 249 R HN 0.570 nan 8.270 nan 0.000 0.480 250 Q N 0.990 120.931 119.800 0.236 0.000 2.470 250 Q HA -0.216 4.123 4.340 -0.001 0.000 0.294 250 Q C -1.130 174.885 176.000 0.025 0.000 1.356 250 Q CA 0.968 56.844 55.803 0.122 0.000 0.805 250 Q CB -1.682 27.085 28.738 0.048 0.000 1.157 250 Q HN 0.424 nan 8.270 nan 0.000 0.431 251 F N -0.695 119.277 119.950 0.037 0.000 2.588 251 F HA 0.483 5.010 4.527 -0.002 0.000 0.318 251 F C 0.027 175.844 175.800 0.028 0.000 1.155 251 F CA -0.857 57.163 58.000 0.033 0.000 0.967 251 F CB 1.789 40.812 39.000 0.038 0.000 1.236 251 F HN -0.140 nan 8.300 nan 0.000 0.455 252 V N 4.140 124.156 119.914 0.169 0.000 2.581 252 V HA 0.557 4.677 4.120 -0.001 0.000 0.303 252 V C -2.341 173.836 176.094 0.138 0.000 1.041 252 V CA -2.304 60.068 62.300 0.120 0.000 0.907 252 V CB 2.030 33.892 31.823 0.065 0.000 0.994 252 V HN 0.458 nan 8.190 nan 0.000 0.442 253 P HA 0.403 nan 4.420 nan 0.000 0.277 253 P C 0.470 177.826 177.300 0.093 0.000 1.240 253 P CA -0.218 62.949 63.100 0.112 0.000 0.798 253 P CB 0.671 32.427 31.700 0.093 0.000 0.979 254 I N -1.785 118.839 120.570 0.090 0.000 4.471 254 I HA 0.452 4.621 4.170 -0.001 0.000 0.326 254 I C 0.404 176.562 176.117 0.069 0.000 1.300 254 I CA 0.129 61.473 61.300 0.073 0.000 1.237 254 I CB 0.329 38.368 38.000 0.065 0.000 1.195 254 I HN 0.142 nan 8.210 nan 0.000 0.427 255 K N 1.273 121.717 120.400 0.074 0.000 2.578 255 K HA 0.631 4.951 4.320 -0.001 0.000 0.269 255 K C -1.999 174.646 176.600 0.074 0.000 0.941 255 K CA -0.554 55.776 56.287 0.072 0.000 0.847 255 K CB 3.155 35.689 32.500 0.055 0.000 1.397 255 K HN -0.079 nan 8.250 nan 0.000 0.422 256 V N 2.571 122.537 119.914 0.087 0.000 2.638 256 V HA 0.487 4.606 4.120 -0.001 0.000 0.306 256 V C -1.159 174.941 176.094 0.010 0.000 1.052 256 V CA -0.755 61.587 62.300 0.070 0.000 0.885 256 V CB 1.721 33.625 31.823 0.134 0.000 0.999 256 V HN 0.836 nan 8.190 nan 0.000 0.424 257 E N 2.514 122.645 120.200 -0.115 0.000 2.317 257 E HA 0.453 4.803 4.350 -0.001 0.000 0.270 257 E C -1.085 175.235 176.600 -0.466 0.000 0.885 257 E CA -0.855 55.384 56.400 -0.270 0.000 0.760 257 E CB 2.618 32.238 29.700 -0.133 0.000 1.227 257 E HN 0.677 nan 8.360 nan 0.000 0.434 258 Q N 3.397 122.721 119.800 -0.794 0.000 2.389 258 Q HA 0.102 4.442 4.340 -0.001 0.000 0.244 258 Q C 0.294 176.134 176.000 -0.267 0.000 1.056 258 Q CA -0.268 55.169 55.803 -0.610 0.000 0.908 258 Q CB 0.383 28.660 28.738 -0.768 0.000 1.273 258 Q HN 0.598 nan 8.270 nan 0.000 0.471 259 I N 2.382 122.844 120.570 -0.180 0.000 2.916 259 I HA -0.021 4.148 4.170 -0.001 0.000 0.267 259 I C 0.400 176.467 176.117 -0.084 0.000 1.263 259 I CA 1.198 62.432 61.300 -0.110 0.000 1.471 259 I CB -0.924 37.022 38.000 -0.089 0.000 1.089 259 I HN 0.762 nan 8.210 nan 0.000 0.468 260 E N 0.448 120.595 120.200 -0.088 0.000 3.683 260 E HA 0.272 4.621 4.350 -0.001 0.000 0.388 260 E C -1.061 175.511 176.600 -0.046 0.000 1.016 260 E CA -0.189 56.178 56.400 -0.055 0.000 0.784 260 E CB 0.844 30.515 29.700 -0.048 0.000 1.309 260 E HN 0.054 nan 8.360 nan 0.000 0.485 261 A N 2.326 125.135 122.820 -0.019 0.000 2.507 261 A HA 0.712 5.031 4.320 -0.001 0.000 0.235 261 A C 0.682 178.238 177.584 -0.047 0.000 1.070 261 A CA 1.085 53.119 52.037 -0.004 0.000 0.768 261 A CB 0.531 19.548 19.000 0.029 0.000 1.011 261 A HN 0.832 nan 8.150 nan 0.000 0.502 262 G N -1.079 107.667 108.800 -0.089 0.000 2.315 262 G HA2 0.520 4.479 3.960 -0.001 0.000 0.294 262 G HA3 0.520 4.479 3.960 -0.001 0.000 0.294 262 G C -0.556 174.146 174.900 -0.329 0.000 1.300 262 G CA 0.184 45.194 45.100 -0.152 0.000 0.843 262 G HN 1.609 nan 8.290 nan 0.000 0.527 263 T N 0.062 114.390 114.554 -0.377 0.000 3.401 263 T HA 0.675 5.024 4.350 -0.001 0.000 0.341 263 T C -2.312 172.100 174.700 -0.480 0.000 1.674 263 T CA -1.125 60.526 62.100 -0.748 0.000 1.600 263 T CB 1.417 70.049 68.868 -0.394 0.000 0.974 263 T HN 0.535 nan 8.240 nan 0.000 0.672 264 P HA 0.541 nan 4.420 nan 0.000 0.281 264 P C 0.608 177.769 177.300 -0.232 0.000 1.281 264 P CA -0.263 62.558 63.100 -0.466 0.000 0.811 264 P CB 1.294 32.954 31.700 -0.067 0.000 1.154 265 G N 0.607 109.310 108.800 -0.161 0.000 3.137 265 G HA2 0.465 4.424 3.960 -0.001 0.000 0.163 265 G HA3 0.465 4.424 3.960 -0.001 0.000 0.163 265 G C -0.592 174.276 174.900 -0.053 0.000 1.602 265 G CA -0.612 44.434 45.100 -0.091 0.000 1.067 265 G HN 0.495 nan 8.290 nan 0.000 0.568 266 R N -1.046 119.425 120.500 -0.048 0.000 2.515 266 R HA 0.498 4.837 4.340 -0.001 0.000 0.278 266 R C -1.422 174.841 176.300 -0.061 0.000 1.107 266 R CA -0.420 55.655 56.100 -0.041 0.000 0.945 266 R CB 1.849 32.119 30.300 -0.051 0.000 1.219 266 R HN 0.303 nan 8.270 nan 0.000 0.434 267 L N 1.436 122.639 121.223 -0.034 0.000 2.309 267 L HA 0.679 5.018 4.340 -0.001 0.000 0.261 267 L C -0.307 176.543 176.870 -0.032 0.000 1.021 267 L CA -1.086 53.716 54.840 -0.064 0.000 0.823 267 L CB 2.081 44.130 42.059 -0.018 0.000 1.366 267 L HN 0.412 nan 8.230 nan 0.000 0.423 268 R N 0.968 121.438 120.500 -0.050 0.000 2.476 268 R HA 0.711 5.050 4.340 -0.001 0.000 0.305 268 R C -1.872 174.435 176.300 0.012 0.000 0.965 268 R CA -0.459 55.618 56.100 -0.039 0.000 0.867 268 R CB 1.943 32.203 30.300 -0.066 0.000 1.176 268 R HN 0.483 nan 8.270 nan 0.000 0.447 269 V N 4.497 124.450 119.914 0.065 0.000 2.547 269 V HA 0.447 4.566 4.120 -0.001 0.000 0.299 269 V C -0.277 175.858 176.094 0.068 0.000 1.040 269 V CA -0.782 61.577 62.300 0.099 0.000 0.913 269 V CB 1.883 33.816 31.823 0.183 0.000 0.992 269 V HN 0.491 nan 8.190 nan 0.000 0.449 270 V N 3.497 123.452 119.914 0.069 0.000 2.409 270 V HA 0.848 4.967 4.120 -0.001 0.000 0.291 270 V C 0.176 176.332 176.094 0.103 0.000 1.020 270 V CA -0.282 62.059 62.300 0.068 0.000 0.848 270 V CB 1.529 33.383 31.823 0.051 0.000 0.990 270 V HN 1.060 nan 8.190 nan 0.000 0.430 271 A N 4.337 127.242 122.820 0.142 0.000 2.401 271 A HA 0.828 5.147 4.320 -0.001 0.000 0.310 271 A C -0.895 176.889 177.584 0.332 0.000 1.075 271 A CA -0.638 51.539 52.037 0.234 0.000 0.746 271 A CB 2.067 21.237 19.000 0.285 0.000 1.277 271 A HN 0.635 nan 8.150 nan 0.000 0.425 272 Q N 1.240 121.185 119.800 0.241 0.000 2.333 272 Q HA 0.454 4.793 4.340 -0.001 0.000 0.267 272 Q C 0.065 175.926 176.000 -0.232 0.000 1.012 272 Q CA -0.291 55.560 55.803 0.080 0.000 0.824 272 Q CB 1.791 30.543 28.738 0.022 0.000 1.290 272 Q HN 0.970 nan 8.270 nan 0.000 0.449 273 S N 1.789 117.110 115.700 -0.630 0.000 2.560 273 S HA -0.034 4.436 4.470 -0.001 0.000 0.276 273 S C 0.945 175.266 174.600 -0.466 0.000 1.350 273 S CA 0.898 58.468 58.200 -1.049 0.000 1.024 273 S CB 0.445 63.217 63.200 -0.714 0.000 0.864 273 S HN 0.742 nan 8.310 nan 0.000 0.536 274 T N -0.442 113.879 114.554 -0.387 0.000 3.069 274 T HA 0.225 4.574 4.350 -0.001 0.000 0.252 274 T C 0.754 175.377 174.700 -0.128 0.000 1.053 274 T CA 0.370 62.359 62.100 -0.184 0.000 0.964 274 T CB -0.884 67.912 68.868 -0.121 0.000 1.005 274 T HN 0.880 nan 8.240 nan 0.000 0.532 275 N N -0.694 117.916 118.700 -0.149 0.000 1.938 275 N HA 0.113 4.852 4.740 -0.001 0.000 0.225 275 N C -0.584 174.876 175.510 -0.084 0.000 1.400 275 N CA -0.500 52.496 53.050 -0.091 0.000 0.772 275 N CB 0.870 39.317 38.487 -0.066 0.000 1.124 275 N HN 0.102 nan 8.380 nan 0.000 0.513 276 S N 0.467 116.098 115.700 -0.116 0.000 2.704 276 S HA 0.241 4.710 4.470 -0.001 0.000 0.296 276 S C 0.076 174.628 174.600 -0.079 0.000 1.138 276 S CA -0.740 57.412 58.200 -0.080 0.000 0.875 276 S CB 1.963 65.121 63.200 -0.070 0.000 1.151 276 S HN 0.300 nan 8.310 nan 0.000 0.500 277 E N 0.003 120.178 120.200 -0.042 0.000 2.479 277 E HA 0.143 4.492 4.350 -0.001 0.000 0.193 277 E C 0.142 176.735 176.600 -0.012 0.000 1.049 277 E CA -0.161 56.222 56.400 -0.028 0.000 0.870 277 E CB 0.246 29.939 29.700 -0.012 0.000 0.944 277 E HN 0.577 nan 8.360 nan 0.000 0.492 278 E N 1.190 121.383 120.200 -0.012 0.000 2.437 278 E HA 0.134 4.483 4.350 -0.001 0.000 0.263 278 E C -0.757 175.897 176.600 0.090 0.000 1.030 278 E CA 0.239 56.669 56.400 0.050 0.000 0.934 278 E CB 0.528 30.282 29.700 0.090 0.000 0.943 278 E HN 0.099 nan 8.360 nan 0.000 0.444 279 I N 4.660 125.319 120.570 0.149 0.000 2.619 279 I HA 0.352 4.521 4.170 -0.001 0.000 0.292 279 I C -0.430 175.802 176.117 0.191 0.000 1.100 279 I CA -0.428 60.983 61.300 0.184 0.000 1.043 279 I CB 1.639 39.697 38.000 0.096 0.000 1.239 279 I HN 0.424 nan 8.210 nan 0.000 0.420 280 I N 2.252 122.945 120.570 0.206 0.000 3.239 280 I HA 0.815 4.984 4.170 -0.001 0.000 0.314 280 I C -1.319 174.815 176.117 0.028 0.000 1.126 280 I CA -0.651 60.690 61.300 0.069 0.000 0.973 280 I CB 2.385 40.344 38.000 -0.068 0.000 1.252 280 I HN 0.645 nan 8.210 nan 0.000 0.463 281 E N 1.294 121.480 120.200 -0.024 0.000 2.321 281 E HA 0.685 5.034 4.350 -0.001 0.000 0.281 281 E C -1.585 174.957 176.600 -0.096 0.000 0.910 281 E CA -0.900 55.480 56.400 -0.034 0.000 0.770 281 E CB 2.082 31.767 29.700 -0.025 0.000 1.225 281 E HN 1.013 nan 8.360 nan 0.000 0.417 282 G N 1.590 110.310 108.800 -0.134 0.000 2.605 282 G HA2 0.446 4.405 3.960 -0.001 0.000 0.296 282 G HA3 0.446 4.405 3.960 -0.001 0.000 0.296 282 G C -1.470 173.175 174.900 -0.425 0.000 1.304 282 G CA -0.726 44.177 45.100 -0.328 0.000 0.941 282 G HN 0.555 nan 8.290 nan 0.000 0.475 283 E N -0.483 119.393 120.200 -0.540 0.000 2.179 283 E HA 0.630 4.979 4.350 -0.001 0.000 0.275 283 E C -1.447 174.808 176.600 -0.575 0.000 0.945 283 E CA -0.631 55.535 56.400 -0.390 0.000 0.792 283 E CB 1.336 30.903 29.700 -0.221 0.000 1.125 283 E HN 0.468 nan 8.360 nan 0.000 0.397 284 Y N 1.795 122.068 120.300 -0.046 0.000 2.597 284 Y HA 0.249 4.798 4.550 -0.001 0.000 0.340 284 Y C 0.900 176.777 175.900 -0.038 0.000 1.097 284 Y CA -1.072 57.003 58.100 -0.042 0.000 1.037 284 Y CB 1.545 39.980 38.460 -0.042 0.000 1.305 284 Y HN 0.485 nan 8.280 nan 0.000 0.463 285 N N -0.045 118.744 118.700 0.149 0.000 2.250 285 N HA 0.014 4.753 4.740 -0.001 0.000 0.181 285 N C -0.163 175.390 175.510 0.071 0.000 1.017 285 N CA 1.110 54.201 53.050 0.068 0.000 0.866 285 N CB 0.294 38.805 38.487 0.039 0.000 0.985 285 N HN 0.579 nan 8.380 nan 0.000 0.429 286 T N -0.150 114.438 114.554 0.057 0.000 2.896 286 T HA 0.548 4.897 4.350 -0.001 0.000 0.297 286 T C -0.808 173.873 174.700 -0.032 0.000 1.108 286 T CA -0.555 61.563 62.100 0.031 0.000 1.004 286 T CB 3.074 71.940 68.868 -0.003 0.000 1.159 286 T HN -0.318 nan 8.240 nan 0.000 0.499 287 V N 2.278 122.178 119.914 -0.024 0.000 2.498 287 V HA 0.402 4.521 4.120 -0.001 0.000 0.283 287 V C -0.474 175.583 176.094 -0.061 0.000 1.015 287 V CA -0.671 61.583 62.300 -0.076 0.000 0.867 287 V CB 1.409 33.228 31.823 -0.007 0.000 1.025 287 V HN 0.906 nan 8.190 nan 0.000 0.441 288 M N 5.325 124.857 119.600 -0.114 0.000 2.233 288 M HA 0.525 5.004 4.480 -0.001 0.000 0.355 288 M C -1.345 174.886 176.300 -0.115 0.000 1.191 288 M CA -0.419 54.816 55.300 -0.108 0.000 1.101 288 M CB 0.993 33.512 32.600 -0.135 0.000 1.592 288 M HN 0.417 nan 8.290 nan 0.000 0.461 289 L N 4.914 126.060 121.223 -0.127 0.000 2.272 289 L HA 0.549 4.888 4.340 -0.001 0.000 0.289 289 L C -0.188 176.585 176.870 -0.160 0.000 1.032 289 L CA -0.166 54.586 54.840 -0.146 0.000 0.810 289 L CB 1.234 43.165 42.059 -0.213 0.000 1.205 289 L HN 0.946 nan 8.230 nan 0.000 0.422 290 A N 4.721 127.470 122.820 -0.119 0.000 3.365 290 A HA 0.338 4.657 4.320 -0.001 0.000 0.258 290 A C 0.715 178.251 177.584 -0.079 0.000 0.964 290 A CA -0.356 51.620 52.037 -0.102 0.000 0.988 290 A CB -0.136 18.812 19.000 -0.087 0.000 1.193 290 A HN 0.753 nan 8.150 nan 0.000 0.508 291 I N -3.597 116.928 120.570 -0.075 0.000 3.860 291 I HA 0.606 4.775 4.170 -0.001 0.000 0.319 291 I C 0.783 176.876 176.117 -0.039 0.000 1.279 291 I CA 0.352 61.626 61.300 -0.042 0.000 1.220 291 I CB 0.430 38.417 38.000 -0.021 0.000 1.027 291 I HN 0.449 nan 8.210 nan 0.000 0.428 292 G N 0.910 109.675 108.800 -0.058 0.000 2.343 292 G HA2 0.409 4.368 3.960 -0.001 0.000 0.289 292 G HA3 0.409 4.368 3.960 -0.001 0.000 0.289 292 G C -1.498 173.376 174.900 -0.044 0.000 1.295 292 G CA -1.116 43.953 45.100 -0.051 0.000 0.869 292 G HN 0.186 nan 8.290 nan 0.000 0.522 293 R N -0.471 120.015 120.500 -0.023 0.000 2.774 293 R HA 0.558 4.897 4.340 -0.001 0.000 0.272 293 R C -1.822 174.491 176.300 0.023 0.000 1.000 293 R CA -0.993 55.108 56.100 0.001 0.000 0.906 293 R CB 2.293 32.593 30.300 -0.001 0.000 1.227 293 R HN 0.504 nan 8.270 nan 0.000 0.468 294 D N 1.042 121.469 120.400 0.045 0.000 2.278 294 D HA 0.274 4.913 4.640 -0.001 0.000 0.245 294 D C -0.511 175.822 176.300 0.055 0.000 1.052 294 D CA -0.503 53.528 54.000 0.050 0.000 0.834 294 D CB 2.029 42.868 40.800 0.065 0.000 1.194 294 D HN 0.602 nan 8.370 nan 0.000 0.481 295 A N 1.513 124.359 122.820 0.043 0.000 2.545 295 A HA 0.066 4.385 4.320 -0.001 0.000 0.253 295 A C 0.559 178.176 177.584 0.056 0.000 1.074 295 A CA -0.193 51.870 52.037 0.044 0.000 0.760 295 A CB -0.183 18.834 19.000 0.029 0.000 1.005 295 A HN 0.727 nan 8.150 nan 0.000 0.506 296 C N 3.720 123.059 119.300 0.065 0.000 2.756 296 C HA 0.313 4.772 4.460 -0.001 0.000 0.504 296 C C 1.714 176.747 174.990 0.072 0.000 1.028 296 C CA 0.387 59.453 59.018 0.079 0.000 1.167 296 C CB -2.238 25.551 27.740 0.081 0.000 1.444 296 C HN 0.911 nan 8.230 nan 0.000 0.577 297 T N -2.537 112.053 114.554 0.060 0.000 3.043 297 T HA 0.093 4.442 4.350 -0.001 0.000 0.272 297 T C 1.767 176.492 174.700 0.041 0.000 0.990 297 T CA -0.221 61.906 62.100 0.045 0.000 0.897 297 T CB 0.183 69.062 68.868 0.019 0.000 1.111 297 T HN 0.395 nan 8.240 nan 0.000 0.529 298 R N 3.052 123.584 120.500 0.054 0.000 2.051 298 R HA 0.098 4.437 4.340 -0.001 0.000 0.225 298 R C 1.601 177.936 176.300 0.058 0.000 1.155 298 R CA 1.024 57.150 56.100 0.044 0.000 0.945 298 R CB -0.536 29.791 30.300 0.045 0.000 0.840 298 R HN 0.537 nan 8.270 nan 0.000 0.432 299 K N 2.265 122.721 120.400 0.093 0.000 3.226 299 K HA 0.137 4.456 4.320 -0.001 0.000 0.268 299 K C 0.786 177.493 176.600 0.179 0.000 1.217 299 K CA 0.213 56.564 56.287 0.108 0.000 1.242 299 K CB -0.478 32.085 32.500 0.105 0.000 1.389 299 K HN 0.360 nan 8.250 nan 0.000 0.406 300 I N -3.873 116.792 120.570 0.159 0.000 3.813 300 I HA 0.351 4.520 4.170 -0.001 0.000 0.323 300 I C 0.391 176.627 176.117 0.198 0.000 1.536 300 I CA -0.761 60.675 61.300 0.227 0.000 1.083 300 I CB 0.689 38.836 38.000 0.245 0.000 1.265 300 I HN 0.218 nan 8.210 nan 0.000 0.507 301 G N 2.482 111.346 108.800 0.106 0.000 2.366 301 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.299 301 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.299 301 G C 0.560 175.449 174.900 -0.018 0.000 1.020 301 G CA 0.708 45.846 45.100 0.064 0.000 1.026 301 G HN 0.552 nan 8.290 nan 0.000 0.512 302 L N -0.768 120.398 121.223 -0.095 0.000 2.201 302 L HA -0.066 4.273 4.340 -0.001 0.000 0.212 302 L C 2.768 179.505 176.870 -0.222 0.000 1.105 302 L CA 1.818 56.499 54.840 -0.265 0.000 0.775 302 L CB -0.304 41.625 42.059 -0.217 0.000 0.913 302 L HN 0.549 nan 8.230 nan 0.000 0.440 303 E N -0.439 119.691 120.200 -0.117 0.000 2.077 303 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 303 E C 1.987 178.540 176.600 -0.078 0.000 0.989 303 E CA 1.640 57.987 56.400 -0.089 0.000 0.800 303 E CB -1.226 28.444 29.700 -0.049 0.000 0.746 303 E HN 0.434 nan 8.360 nan 0.000 0.452 304 T N -1.404 113.120 114.554 -0.051 0.000 2.996 304 T HA -0.111 4.238 4.350 -0.001 0.000 0.271 304 T C 1.572 176.259 174.700 -0.021 0.000 1.126 304 T CA 1.161 63.256 62.100 -0.010 0.000 1.103 304 T CB -0.132 68.761 68.868 0.041 0.000 0.870 304 T HN 0.157 nan 8.240 nan 0.000 0.528 305 V N -0.996 118.847 119.914 -0.118 0.000 3.382 305 V HA 0.615 4.734 4.120 -0.001 0.000 0.296 305 V C 1.317 177.308 176.094 -0.171 0.000 1.529 305 V CA 0.647 62.870 62.300 -0.127 0.000 1.048 305 V CB -0.156 31.528 31.823 -0.232 0.000 0.878 305 V HN 0.781 nan 8.190 nan 0.000 0.442 306 G N 0.796 109.495 108.800 -0.168 0.000 2.141 306 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.242 306 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.242 306 G C 0.156 174.941 174.900 -0.192 0.000 0.982 306 G CA 0.179 45.191 45.100 -0.147 0.000 0.662 306 G HN 0.856 nan 8.290 nan 0.000 0.527 307 V N 1.510 121.259 119.914 -0.274 0.000 2.446 307 V HA 0.195 4.314 4.120 -0.001 0.000 0.276 307 V C 1.113 177.096 176.094 -0.185 0.000 1.030 307 V CA 0.381 62.517 62.300 -0.273 0.000 1.033 307 V CB 1.176 32.773 31.823 -0.377 0.000 0.993 307 V HN 0.333 nan 8.190 nan 0.000 0.477 308 K N 6.445 126.755 120.400 -0.149 0.000 2.310 308 K HA 0.423 4.742 4.320 -0.001 0.000 0.290 308 K C -0.207 176.336 176.600 -0.095 0.000 1.077 308 K CA -0.195 56.028 56.287 -0.107 0.000 0.922 308 K CB 0.475 32.921 32.500 -0.091 0.000 1.057 308 K HN 0.769 nan 8.250 nan 0.000 0.479 309 I N 0.832 121.355 120.570 -0.079 0.000 2.797 309 I HA 0.361 4.530 4.170 -0.001 0.000 0.307 309 I C -0.390 175.698 176.117 -0.048 0.000 1.033 309 I CA -1.025 60.237 61.300 -0.063 0.000 1.071 309 I CB 1.839 39.806 38.000 -0.056 0.000 1.255 309 I HN 0.421 nan 8.210 nan 0.000 0.445 310 N N 4.134 122.810 118.700 -0.040 0.000 2.400 310 N HA -0.001 4.738 4.740 -0.001 0.000 0.267 310 N C 0.598 176.094 175.510 -0.024 0.000 1.208 310 N CA 0.179 53.210 53.050 -0.031 0.000 0.951 310 N CB 0.673 39.143 38.487 -0.029 0.000 1.227 310 N HN 0.626 nan 8.380 nan 0.000 0.488 311 E N 3.476 123.662 120.200 -0.023 0.000 2.333 311 E HA -0.158 4.191 4.350 -0.001 0.000 0.198 311 E C 0.970 177.564 176.600 -0.010 0.000 1.007 311 E CA 0.924 57.313 56.400 -0.017 0.000 0.845 311 E CB 0.287 29.976 29.700 -0.018 0.000 0.766 311 E HN 0.726 nan 8.360 nan 0.000 0.507 312 K N 0.145 120.539 120.400 -0.011 0.000 1.995 312 K HA -0.050 4.269 4.320 -0.001 0.000 0.207 312 K C 2.395 178.994 176.600 -0.003 0.000 1.041 312 K CA 1.764 58.047 56.287 -0.006 0.000 0.942 312 K CB -0.615 31.880 32.500 -0.009 0.000 0.731 312 K HN 0.118 nan 8.250 nan 0.000 0.439 313 T N -2.285 112.265 114.554 -0.006 0.000 2.851 313 T HA 0.110 4.459 4.350 -0.001 0.000 0.262 313 T C 1.747 176.447 174.700 0.000 0.000 1.043 313 T CA 1.075 63.173 62.100 -0.004 0.000 1.140 313 T CB -0.165 68.697 68.868 -0.010 0.000 0.872 313 T HN 0.505 nan 8.240 nan 0.000 0.446 314 G N 1.152 109.950 108.800 -0.004 0.000 2.218 314 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.216 314 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.216 314 G C 0.030 174.927 174.900 -0.004 0.000 0.994 314 G CA -0.119 44.982 45.100 0.001 0.000 0.637 314 G HN 0.660 nan 8.290 nan 0.000 0.505 315 K N 0.458 120.851 120.400 -0.011 0.000 2.270 315 K HA 0.521 4.840 4.320 -0.001 0.000 0.276 315 K C 0.273 176.856 176.600 -0.029 0.000 1.023 315 K CA -0.294 55.982 56.287 -0.017 0.000 0.955 315 K CB 1.166 33.652 32.500 -0.023 0.000 0.975 315 K HN 0.259 nan 8.250 nan 0.000 0.471 316 I N 5.846 126.397 120.570 -0.032 0.000 2.291 316 I HA 0.122 4.291 4.170 -0.001 0.000 0.292 316 I C -1.889 174.195 176.117 -0.055 0.000 1.064 316 I CA -2.270 59.002 61.300 -0.046 0.000 1.269 316 I CB 0.694 38.666 38.000 -0.046 0.000 1.418 316 I HN 0.291 nan 8.210 nan 0.000 0.485 317 P HA 0.089 nan 4.420 nan 0.000 0.267 317 P C -0.596 176.662 177.300 -0.069 0.000 1.200 317 P CA 0.097 63.159 63.100 -0.064 0.000 0.772 317 P CB 1.203 32.867 31.700 -0.060 0.000 0.855 318 V N -0.650 119.225 119.914 -0.066 0.000 3.178 318 V HA 0.621 4.740 4.120 -0.001 0.000 0.302 318 V C 0.019 176.088 176.094 -0.042 0.000 1.262 318 V CA -0.695 61.572 62.300 -0.055 0.000 1.030 318 V CB 1.399 33.203 31.823 -0.031 0.000 1.074 318 V HN 0.697 nan 8.190 nan 0.000 0.438 319 T N -0.291 114.250 114.554 -0.020 0.000 2.698 319 T HA 0.208 4.557 4.350 -0.001 0.000 0.295 319 T C 0.801 175.517 174.700 0.028 0.000 1.007 319 T CA 0.626 62.727 62.100 0.002 0.000 0.980 319 T CB 0.276 69.153 68.868 0.015 0.000 1.036 319 T HN 1.153 nan 8.240 nan 0.000 0.526 320 D N -1.016 119.409 120.400 0.041 0.000 2.363 320 D HA -0.068 4.571 4.640 -0.001 0.000 0.226 320 D C 0.892 177.256 176.300 0.106 0.000 1.020 320 D CA 0.466 54.509 54.000 0.073 0.000 0.892 320 D CB -0.196 40.642 40.800 0.063 0.000 0.900 320 D HN 0.820 nan 8.370 nan 0.000 0.531 321 E N -0.148 120.116 120.200 0.105 0.000 2.603 321 E HA 0.083 4.432 4.350 -0.001 0.000 0.211 321 E C -0.449 176.262 176.600 0.185 0.000 0.995 321 E CA -0.200 56.276 56.400 0.126 0.000 0.990 321 E CB 0.462 30.235 29.700 0.122 0.000 1.036 321 E HN -0.007 nan 8.360 nan 0.000 0.475 322 E N 0.447 120.751 120.200 0.173 0.000 3.413 322 E HA -0.226 4.123 4.350 -0.001 0.000 0.300 322 E C -0.192 176.587 176.600 0.299 0.000 0.891 322 E CA 0.719 57.242 56.400 0.205 0.000 1.050 322 E CB -1.409 28.416 29.700 0.208 0.000 1.534 322 E HN 0.324 nan 8.360 nan 0.000 0.436 323 Q N 0.720 120.633 119.800 0.188 0.000 2.243 323 Q HA 0.453 4.792 4.340 -0.001 0.000 0.252 323 Q C 0.647 176.529 176.000 -0.196 0.000 0.909 323 Q CA 0.232 55.940 55.803 -0.157 0.000 0.922 323 Q CB 0.940 29.585 28.738 -0.155 0.000 1.215 323 Q HN 0.274 nan 8.270 nan 0.000 0.427 324 T N 0.492 114.863 114.554 -0.305 0.000 2.833 324 T HA 0.096 4.446 4.350 -0.001 0.000 0.312 324 T C 1.173 175.745 174.700 -0.213 0.000 1.085 324 T CA 0.151 62.118 62.100 -0.222 0.000 0.955 324 T CB 0.184 68.904 68.868 -0.246 0.000 1.353 324 T HN 0.817 nan 8.240 nan 0.000 0.544 325 N N -0.233 118.358 118.700 -0.182 0.000 2.331 325 N HA -0.050 4.689 4.740 -0.001 0.000 0.180 325 N C 0.457 175.865 175.510 -0.170 0.000 1.019 325 N CA 0.468 53.430 53.050 -0.147 0.000 0.881 325 N CB -0.923 37.492 38.487 -0.120 0.000 0.972 325 N HN 0.397 nan 8.380 nan 0.000 0.435 326 V N 2.974 122.741 119.914 -0.246 0.000 2.322 326 V HA 0.157 4.277 4.120 -0.001 0.000 0.258 326 V C -1.349 174.525 176.094 -0.366 0.000 1.074 326 V CA -1.231 60.894 62.300 -0.292 0.000 0.909 326 V CB 0.818 32.382 31.823 -0.431 0.000 1.090 326 V HN -0.017 nan 8.190 nan 0.000 0.486 327 P HA -0.257 nan 4.420 nan 0.000 0.226 327 P C 1.125 178.332 177.300 -0.156 0.000 1.154 327 P CA 2.049 65.057 63.100 -0.153 0.000 0.901 327 P CB -0.078 31.638 31.700 0.027 0.000 0.788 328 Y N -3.107 117.143 120.300 -0.083 0.000 2.466 328 Y HA 0.424 4.973 4.550 -0.002 0.000 0.272 328 Y C 0.505 176.455 175.900 0.084 0.000 1.169 328 Y CA -0.719 57.407 58.100 0.043 0.000 1.285 328 Y CB -0.630 37.867 38.460 0.062 0.000 1.078 328 Y HN -0.160 nan 8.280 nan 0.000 0.523 329 I N 1.621 121.859 120.570 -0.553 0.000 2.362 329 I HA 0.298 4.467 4.170 -0.001 0.000 0.289 329 I C -1.195 174.709 176.117 -0.355 0.000 0.994 329 I CA -0.848 60.268 61.300 -0.306 0.000 1.158 329 I CB 0.971 38.689 38.000 -0.469 0.000 1.315 329 I HN -0.028 nan 8.210 nan 0.000 0.451 330 Y N 4.341 124.658 120.300 0.028 0.000 2.587 330 Y HA 0.837 5.386 4.550 -0.001 0.000 0.337 330 Y C 0.184 176.110 175.900 0.043 0.000 1.065 330 Y CA -0.923 57.190 58.100 0.022 0.000 1.126 330 Y CB 1.967 40.451 38.460 0.039 0.000 1.279 330 Y HN 0.527 nan 8.280 nan 0.000 0.489 331 A N 1.772 124.706 122.820 0.191 0.000 2.549 331 A HA 0.883 5.202 4.320 -0.001 0.000 0.297 331 A C -1.338 176.318 177.584 0.119 0.000 1.061 331 A CA -0.616 51.497 52.037 0.127 0.000 0.690 331 A CB 1.211 20.247 19.000 0.059 0.000 1.287 331 A HN 0.764 nan 8.150 nan 0.000 0.402 332 I N -1.568 119.066 120.570 0.106 0.000 3.191 332 I HA 0.959 5.128 4.170 -0.001 0.000 0.313 332 I C 0.348 176.519 176.117 0.090 0.000 1.193 332 I CA -0.394 60.971 61.300 0.108 0.000 0.968 332 I CB 2.002 40.071 38.000 0.115 0.000 1.262 332 I HN 2.100 nan 8.210 nan 0.000 0.456 333 G N 2.280 111.142 108.800 0.103 0.000 2.627 333 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.214 333 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.214 333 G C -0.154 174.789 174.900 0.072 0.000 1.331 333 G CA 0.271 45.423 45.100 0.087 0.000 0.891 333 G HN 0.827 nan 8.290 nan 0.000 0.539 334 D N 0.048 120.488 120.400 0.066 0.000 2.172 334 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 334 D C 2.543 178.865 176.300 0.036 0.000 0.999 334 D CA 1.848 55.881 54.000 0.055 0.000 0.856 334 D CB -0.307 40.528 40.800 0.059 0.000 0.934 334 D HN 0.839 nan 8.370 nan 0.000 0.453 335 I N -1.479 119.113 120.570 0.037 0.000 2.850 335 I HA -0.100 4.069 4.170 -0.001 0.000 0.266 335 I C 0.547 176.667 176.117 0.005 0.000 1.257 335 I CA 0.076 61.390 61.300 0.024 0.000 1.465 335 I CB -0.347 37.672 38.000 0.032 0.000 1.091 335 I HN -0.164 nan 8.210 nan 0.000 0.467 336 L N 1.742 122.965 121.223 -0.001 0.000 2.473 336 L HA 0.102 4.441 4.340 -0.001 0.000 0.268 336 L C 0.675 177.513 176.870 -0.053 0.000 1.215 336 L CA 0.578 55.395 54.840 -0.037 0.000 0.823 336 L CB 0.278 42.295 42.059 -0.070 0.000 1.099 336 L HN 0.252 nan 8.230 nan 0.000 0.483 337 E N 2.024 122.180 120.200 -0.074 0.000 2.134 337 E HA 0.100 4.450 4.350 -0.001 0.000 0.278 337 E C -1.016 175.526 176.600 -0.097 0.000 0.959 337 E CA -0.470 55.888 56.400 -0.070 0.000 0.783 337 E CB 0.534 30.199 29.700 -0.059 0.000 1.095 337 E HN 0.545 nan 8.360 nan 0.000 0.399 338 D N 3.256 123.606 120.400 -0.083 0.000 2.739 338 D HA -0.135 4.504 4.640 -0.001 0.000 0.240 338 D C -0.337 175.876 176.300 -0.145 0.000 1.114 338 D CA 0.825 54.771 54.000 -0.091 0.000 0.695 338 D CB -0.234 40.518 40.800 -0.080 0.000 1.078 338 D HN 0.503 nan 8.370 nan 0.000 0.434 339 K N -1.109 119.200 120.400 -0.151 0.000 2.221 339 K HA 0.660 4.979 4.320 -0.001 0.000 0.294 339 K C 0.164 176.753 176.600 -0.020 0.000 0.960 339 K CA -0.326 55.822 56.287 -0.230 0.000 1.024 339 K CB 0.734 32.965 32.500 -0.448 0.000 3.406 339 K HN -0.067 nan 8.250 nan 0.000 1.152 340 V N 2.174 122.144 119.914 0.093 0.000 2.569 340 V HA 0.218 4.337 4.120 -0.001 0.000 0.301 340 V C -1.043 175.127 176.094 0.126 0.000 1.044 340 V CA -0.629 61.747 62.300 0.126 0.000 0.874 340 V CB 1.605 33.539 31.823 0.184 0.000 1.002 340 V HN 0.505 nan 8.190 nan 0.000 0.424 341 E N 5.226 125.489 120.200 0.105 0.000 2.110 341 E HA 0.461 4.810 4.350 -0.001 0.000 0.300 341 E C -0.946 175.740 176.600 0.143 0.000 1.278 341 E CA 0.102 56.571 56.400 0.115 0.000 1.365 341 E CB 0.239 29.999 29.700 0.101 0.000 1.283 341 E HN 0.458 nan 8.360 nan 0.000 0.490 342 L N 0.181 121.479 121.223 0.126 0.000 2.431 342 L HA 0.242 4.581 4.340 -0.001 0.000 0.266 342 L C 1.334 178.254 176.870 0.083 0.000 0.978 342 L CA -0.539 54.368 54.840 0.111 0.000 0.822 342 L CB 2.040 44.156 42.059 0.094 0.000 1.310 342 L HN 0.162 nan 8.230 nan 0.000 0.409 343 T N 1.187 115.784 114.554 0.070 0.000 2.620 343 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 343 T C -1.076 173.645 174.700 0.036 0.000 1.044 343 T CA 1.997 64.125 62.100 0.047 0.000 1.161 343 T CB -0.737 68.152 68.868 0.036 0.000 0.862 343 T HN 0.492 nan 8.240 nan 0.000 0.438 344 P HA -0.019 nan 4.420 nan 0.000 0.216 344 P C 1.625 178.925 177.300 -0.000 0.000 1.150 344 P CA 0.585 63.691 63.100 0.010 0.000 0.837 344 P CB -0.166 31.536 31.700 0.004 0.000 0.786 345 V N 0.049 119.972 119.914 0.016 0.000 2.307 345 V HA -0.235 3.885 4.120 -0.001 0.000 0.245 345 V C 2.446 178.565 176.094 0.041 0.000 1.045 345 V CA 2.151 64.456 62.300 0.008 0.000 1.024 345 V CB -1.741 30.135 31.823 0.087 0.000 0.651 345 V HN 0.094 nan 8.190 nan 0.000 0.449 346 A N 0.464 123.326 122.820 0.070 0.000 1.873 346 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 346 A C 2.170 179.780 177.584 0.043 0.000 1.193 346 A CA 2.274 54.354 52.037 0.072 0.000 0.629 346 A CB -0.652 18.383 19.000 0.059 0.000 0.826 346 A HN 0.513 nan 8.150 nan 0.000 0.447 347 I N -0.955 119.630 120.570 0.025 0.000 2.264 347 I HA -0.298 3.871 4.170 -0.001 0.000 0.248 347 I C 2.776 178.894 176.117 0.002 0.000 1.111 347 I CA 1.970 63.279 61.300 0.016 0.000 1.382 347 I CB -0.540 37.469 38.000 0.015 0.000 1.060 347 I HN 0.457 nan 8.210 nan 0.000 0.418 348 Q N 1.275 121.062 119.800 -0.022 0.000 2.079 348 Q HA -0.140 4.199 4.340 -0.001 0.000 0.200 348 Q C 2.231 178.204 176.000 -0.045 0.000 0.974 348 Q CA 2.052 57.825 55.803 -0.050 0.000 0.840 348 Q CB -0.165 28.509 28.738 -0.106 0.000 0.898 348 Q HN 0.496 nan 8.270 nan 0.000 0.430 349 A N -0.150 122.653 122.820 -0.028 0.000 1.858 349 A HA -0.057 4.262 4.320 -0.001 0.000 0.216 349 A C 2.314 179.916 177.584 0.031 0.000 1.190 349 A CA 1.623 53.671 52.037 0.019 0.000 0.617 349 A CB -1.552 17.519 19.000 0.118 0.000 0.827 349 A HN 0.557 nan 8.150 nan 0.000 0.443 350 G N -0.796 108.027 108.800 0.038 0.000 2.446 350 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.217 350 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.217 350 G C 1.810 176.730 174.900 0.033 0.000 1.168 350 G CA 1.036 46.159 45.100 0.038 0.000 0.771 350 G HN 0.515 nan 8.290 nan 0.000 0.551 351 R N -0.402 120.115 120.500 0.028 0.000 2.070 351 R HA 0.078 4.417 4.340 -0.001 0.000 0.232 351 R C 2.741 179.058 176.300 0.028 0.000 1.138 351 R CA 1.171 57.293 56.100 0.038 0.000 0.936 351 R CB -0.569 29.747 30.300 0.026 0.000 0.839 351 R HN 0.336 nan 8.270 nan 0.000 0.429 352 L N 0.855 122.078 121.223 0.001 0.000 2.127 352 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 352 L C 2.506 179.354 176.870 -0.035 0.000 1.089 352 L CA 0.658 55.488 54.840 -0.017 0.000 0.757 352 L CB -0.418 41.622 42.059 -0.032 0.000 0.899 352 L HN 0.238 nan 8.230 nan 0.000 0.434 353 L N 0.221 121.424 121.223 -0.032 0.000 1.955 353 L HA -0.216 4.123 4.340 -0.001 0.000 0.213 353 L C 2.737 179.539 176.870 -0.112 0.000 1.072 353 L CA 2.112 56.901 54.840 -0.086 0.000 0.755 353 L CB -0.621 41.392 42.059 -0.077 0.000 0.888 353 L HN 0.150 nan 8.230 nan 0.000 0.432 354 A N -1.053 121.757 122.820 -0.016 0.000 1.927 354 A HA -0.345 3.975 4.320 -0.001 0.000 0.220 354 A C 2.204 179.771 177.584 -0.028 0.000 1.185 354 A CA 2.325 54.418 52.037 0.093 0.000 0.639 354 A CB -0.848 18.268 19.000 0.193 0.000 0.820 354 A HN 0.732 nan 8.150 nan 0.000 0.451 355 Q N -1.191 118.567 119.800 -0.069 0.000 2.124 355 Q HA -0.159 4.181 4.340 -0.001 0.000 0.202 355 Q C 2.420 178.288 176.000 -0.220 0.000 0.977 355 Q CA 1.440 57.129 55.803 -0.191 0.000 0.850 355 Q CB -0.164 28.532 28.738 -0.071 0.000 0.901 355 Q HN 0.630 nan 8.270 nan 0.000 0.429 356 R N 0.129 120.524 120.500 -0.175 0.000 2.081 356 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 356 R C 2.236 178.376 176.300 -0.268 0.000 1.131 356 R CA 1.084 57.076 56.100 -0.180 0.000 0.960 356 R CB -0.185 30.028 30.300 -0.145 0.000 0.856 356 R HN 0.240 nan 8.270 nan 0.000 0.436 357 L N -1.091 119.889 121.223 -0.404 0.000 1.971 357 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 357 L C 1.568 178.044 176.870 -0.656 0.000 1.083 357 L CA 1.249 55.696 54.840 -0.656 0.000 0.753 357 L CB -0.620 40.739 42.059 -1.167 0.000 0.893 357 L HN 0.171 nan 8.230 nan 0.000 0.436 358 Y N -0.319 119.844 120.300 -0.229 0.000 2.465 358 Y HA 0.281 4.830 4.550 -0.002 0.000 0.311 358 Y C 1.216 176.827 175.900 -0.481 0.000 1.204 358 Y CA 0.366 58.299 58.100 -0.278 0.000 1.272 358 Y CB -0.347 37.985 38.460 -0.212 0.000 1.083 358 Y HN 0.185 nan 8.280 nan 0.000 0.508 359 A N -1.419 121.183 122.820 -0.363 0.000 2.699 359 A HA 0.519 4.838 4.320 -0.001 0.000 0.242 359 A C 1.597 179.081 177.584 -0.167 0.000 1.142 359 A CA 0.216 52.052 52.037 -0.335 0.000 1.008 359 A CB -0.471 18.162 19.000 -0.611 0.000 1.232 359 A HN 0.472 nan 8.150 nan 0.000 0.574 360 G N 0.227 108.937 108.800 -0.149 0.000 2.155 360 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.257 360 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.257 360 G C 0.530 175.383 174.900 -0.078 0.000 0.983 360 G CA 0.979 46.023 45.100 -0.093 0.000 0.676 360 G HN 1.656 nan 8.290 nan 0.000 0.528 361 S N -0.142 115.501 115.700 -0.096 0.000 2.579 361 S HA 0.528 4.997 4.470 -0.001 0.000 0.275 361 S C 1.308 175.872 174.600 -0.060 0.000 1.345 361 S CA 1.263 59.423 58.200 -0.066 0.000 1.031 361 S CB 0.724 63.881 63.200 -0.071 0.000 0.892 361 S HN 1.299 nan 8.310 nan 0.000 0.529 362 T N 0.900 115.431 114.554 -0.039 0.000 3.487 362 T HA 0.359 4.709 4.350 -0.001 0.000 0.287 362 T C -0.542 174.145 174.700 -0.022 0.000 1.004 362 T CA -0.503 61.579 62.100 -0.030 0.000 0.977 362 T CB -0.317 68.538 68.868 -0.022 0.000 1.180 362 T HN 0.299 nan 8.240 nan 0.000 0.490 363 V N 2.217 122.115 119.914 -0.027 0.000 2.350 363 V HA 0.433 4.552 4.120 -0.001 0.000 0.276 363 V C 0.037 176.118 176.094 -0.021 0.000 1.028 363 V CA -0.840 61.447 62.300 -0.022 0.000 0.860 363 V CB 1.157 32.965 31.823 -0.025 0.000 0.990 363 V HN 0.424 nan 8.190 nan 0.000 0.453 364 K N 2.760 123.154 120.400 -0.010 0.000 2.098 364 K HA 0.487 4.806 4.320 -0.001 0.000 0.261 364 K C -0.258 176.328 176.600 -0.023 0.000 0.987 364 K CA -0.502 55.788 56.287 0.005 0.000 0.916 364 K CB 1.505 34.027 32.500 0.036 0.000 1.039 364 K HN 0.680 nan 8.250 nan 0.000 0.455 365 C N 2.138 121.416 119.300 -0.037 0.000 2.585 365 C HA 0.107 4.566 4.460 -0.001 0.000 0.406 365 C C -0.118 174.731 174.990 -0.236 0.000 1.312 365 C CA -0.203 58.695 59.018 -0.200 0.000 1.924 365 C CB -0.614 26.927 27.740 -0.332 0.000 2.578 365 C HN 0.687 nan 8.230 nan 0.000 0.580 366 D N 3.837 124.088 120.400 -0.249 0.000 2.359 366 D HA 0.238 4.877 4.640 -0.001 0.000 0.230 366 D C -0.247 175.940 176.300 -0.188 0.000 1.118 366 D CA -0.151 53.775 54.000 -0.123 0.000 0.844 366 D CB 0.343 41.104 40.800 -0.065 0.000 1.059 366 D HN 0.673 nan 8.370 nan 0.000 0.493 367 Y N 1.464 121.768 120.300 0.008 0.000 2.470 367 Y HA 0.155 4.705 4.550 -0.001 0.000 0.284 367 Y C 0.626 176.532 175.900 0.009 0.000 1.188 367 Y CA -0.283 57.822 58.100 0.009 0.000 1.269 367 Y CB 0.265 38.731 38.460 0.010 0.000 1.094 367 Y HN 0.183 nan 8.280 nan 0.000 0.518 368 E N 1.428 121.694 120.200 0.111 0.000 2.289 368 E HA 0.083 4.432 4.350 -0.001 0.000 0.278 368 E C 0.037 176.666 176.600 0.048 0.000 1.032 368 E CA -0.220 56.228 56.400 0.079 0.000 0.854 368 E CB 0.304 30.043 29.700 0.065 0.000 1.046 368 E HN 0.288 nan 8.360 nan 0.000 0.409 369 N N 0.487 119.218 118.700 0.052 0.000 2.688 369 N HA -0.166 4.573 4.740 -0.001 0.000 0.258 369 N C -0.589 174.927 175.510 0.010 0.000 1.016 369 N CA 0.412 53.481 53.050 0.032 0.000 0.747 369 N CB -1.561 36.939 38.487 0.022 0.000 0.895 369 N HN 0.140 nan 8.380 nan 0.000 0.543 370 V N 1.518 121.446 119.914 0.022 0.000 2.530 370 V HA 0.288 4.407 4.120 -0.001 0.000 0.282 370 V C -1.069 175.022 176.094 -0.005 0.000 1.048 370 V CA -0.940 61.363 62.300 0.005 0.000 0.997 370 V CB 1.231 33.072 31.823 0.030 0.000 0.987 370 V HN 0.214 nan 8.190 nan 0.000 0.477 371 P HA 0.359 nan 4.420 nan 0.000 0.276 371 P C -0.476 176.802 177.300 -0.036 0.000 1.252 371 P CA -0.123 62.947 63.100 -0.051 0.000 0.802 371 P CB 1.510 33.160 31.700 -0.083 0.000 1.035 372 T N -0.858 113.658 114.554 -0.063 0.000 2.802 372 T HA 0.513 4.862 4.350 -0.001 0.000 0.311 372 T C -1.608 172.968 174.700 -0.206 0.000 1.405 372 T CA -0.237 61.816 62.100 -0.078 0.000 1.016 372 T CB 1.122 69.997 68.868 0.012 0.000 1.352 372 T HN 0.377 nan 8.240 nan 0.000 0.498 373 T N 2.011 116.396 114.554 -0.282 0.000 3.109 373 T HA 0.441 4.790 4.350 -0.001 0.000 0.311 373 T C -0.996 173.280 174.700 -0.708 0.000 1.011 373 T CA -0.385 61.401 62.100 -0.523 0.000 1.026 373 T CB 1.276 69.805 68.868 -0.565 0.000 1.047 373 T HN 0.478 nan 8.240 nan 0.000 0.448 374 V N 4.686 124.194 119.914 -0.677 0.000 2.368 374 V HA 0.282 4.401 4.120 -0.001 0.000 0.266 374 V C 0.083 175.855 176.094 -0.536 0.000 1.045 374 V CA -0.343 61.644 62.300 -0.522 0.000 0.899 374 V CB -0.067 31.530 31.823 -0.375 0.000 1.006 374 V HN 0.894 nan 8.190 nan 0.000 0.470 375 F N 3.601 123.460 119.950 -0.153 0.000 2.798 375 F HA 0.074 4.600 4.527 -0.002 0.000 0.324 375 F C 1.695 177.307 175.800 -0.314 0.000 1.210 375 F CA -0.327 57.517 58.000 -0.260 0.000 1.379 375 F CB -0.734 38.048 39.000 -0.362 0.000 1.368 375 F HN 0.553 nan 8.300 nan 0.000 0.565 376 T N -2.238 112.283 114.554 -0.056 0.000 2.701 376 T HA 0.040 4.389 4.350 -0.001 0.000 0.303 376 T C -1.354 173.412 174.700 0.109 0.000 1.030 376 T CA -1.411 60.716 62.100 0.044 0.000 1.010 376 T CB 0.507 69.418 68.868 0.072 0.000 1.007 376 T HN -0.026 nan 8.240 nan 0.000 0.532 377 P HA -0.042 nan 4.420 nan 0.000 0.217 377 P C 0.230 177.669 177.300 0.231 0.000 1.151 377 P CA 0.701 63.969 63.100 0.279 0.000 0.849 377 P CB 0.023 31.866 31.700 0.239 0.000 0.787 378 L N 0.233 121.507 121.223 0.085 0.000 2.277 378 L HA 0.226 4.565 4.340 -0.001 0.000 0.284 378 L C 0.097 176.993 176.870 0.044 0.000 1.028 378 L CA -0.753 54.062 54.840 -0.042 0.000 0.835 378 L CB 0.081 41.860 42.059 -0.466 0.000 1.215 378 L HN -0.109 nan 8.230 nan 0.000 0.425 379 E N 3.212 123.483 120.200 0.119 0.000 2.442 379 E HA 0.005 4.354 4.350 -0.001 0.000 0.260 379 E C -1.344 175.297 176.600 0.069 0.000 1.148 379 E CA 0.383 56.806 56.400 0.038 0.000 0.976 379 E CB 0.531 30.268 29.700 0.063 0.000 0.967 379 E HN 0.470 nan 8.360 nan 0.000 0.454 380 Y N 0.001 120.184 120.300 -0.195 0.000 2.332 380 Y HA 0.469 5.018 4.550 -0.001 0.000 0.325 380 Y C -0.568 175.228 175.900 -0.174 0.000 1.054 380 Y CA -0.917 57.100 58.100 -0.137 0.000 1.119 380 Y CB 1.262 39.620 38.460 -0.170 0.000 1.168 380 Y HN 0.507 nan 8.280 nan 0.000 0.439 381 G N 2.701 111.447 108.800 -0.091 0.000 2.489 381 G HA2 0.890 4.849 3.960 -0.001 0.000 0.327 381 G HA3 0.890 4.849 3.960 -0.001 0.000 0.327 381 G C -1.605 173.123 174.900 -0.286 0.000 1.189 381 G CA -0.417 44.543 45.100 -0.233 0.000 0.962 381 G HN 1.238 nan 8.290 nan 0.000 0.486 382 A N -1.219 121.468 122.820 -0.223 0.000 2.597 382 A HA 0.681 5.000 4.320 -0.001 0.000 0.292 382 A C -1.279 176.254 177.584 -0.086 0.000 1.057 382 A CA -0.285 51.657 52.037 -0.158 0.000 0.674 382 A CB 1.351 20.151 19.000 -0.333 0.000 1.278 382 A HN 1.998 nan 8.150 nan 0.000 0.416 383 C N 0.589 119.840 119.300 -0.081 0.000 3.046 383 C HA 0.799 5.258 4.460 -0.001 0.000 0.388 383 C C 0.557 175.528 174.990 -0.032 0.000 1.041 383 C CA 1.390 60.377 59.018 -0.053 0.000 1.241 383 C CB 0.639 28.325 27.740 -0.090 0.000 1.638 383 C HN 3.093 nan 8.230 nan 0.000 0.539 384 G N 4.169 112.978 108.800 0.015 0.000 2.615 384 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.218 384 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.218 384 G C -0.795 174.174 174.900 0.115 0.000 1.339 384 G CA -0.307 44.833 45.100 0.065 0.000 0.884 384 G HN 1.270 nan 8.290 nan 0.000 0.559 385 L N 0.967 122.294 121.223 0.174 0.000 2.467 385 L HA 0.475 4.814 4.340 -0.001 0.000 0.270 385 L C 1.661 178.745 176.870 0.356 0.000 1.205 385 L CA 0.122 55.100 54.840 0.230 0.000 0.828 385 L CB 0.841 43.046 42.059 0.243 0.000 1.101 385 L HN 1.014 nan 8.230 nan 0.000 0.479 386 S N 0.216 116.110 115.700 0.323 0.000 2.655 386 S HA 0.105 4.574 4.470 -0.001 0.000 0.265 386 S C 0.829 175.542 174.600 0.188 0.000 1.240 386 S CA -0.431 57.962 58.200 0.321 0.000 0.986 386 S CB 1.249 64.587 63.200 0.231 0.000 0.985 386 S HN 0.755 nan 8.310 nan 0.000 0.562 387 E N 0.522 120.756 120.200 0.056 0.000 2.072 387 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 387 E C 1.688 178.333 176.600 0.075 0.000 0.985 387 E CA 1.466 57.896 56.400 0.051 0.000 0.801 387 E CB -0.228 29.462 29.700 -0.017 0.000 0.750 387 E HN 0.805 nan 8.360 nan 0.000 0.452 388 E N 0.952 121.192 120.200 0.066 0.000 2.023 388 E HA -0.245 4.104 4.350 -0.001 0.000 0.196 388 E C 2.041 178.688 176.600 0.079 0.000 1.003 388 E CA 1.662 58.099 56.400 0.063 0.000 0.809 388 E CB -0.219 29.517 29.700 0.059 0.000 0.755 388 E HN 0.121 nan 8.360 nan 0.000 0.449 389 K N 0.650 121.107 120.400 0.095 0.000 2.152 389 K HA -0.166 4.153 4.320 -0.001 0.000 0.206 389 K C 2.064 178.738 176.600 0.122 0.000 1.048 389 K CA 1.316 57.659 56.287 0.093 0.000 0.933 389 K CB -0.141 32.422 32.500 0.105 0.000 0.721 389 K HN 0.166 nan 8.250 nan 0.000 0.447 390 A N 0.768 123.696 122.820 0.180 0.000 1.855 390 A HA -0.080 4.239 4.320 -0.001 0.000 0.215 390 A C 2.244 179.996 177.584 0.280 0.000 1.191 390 A CA 1.558 53.770 52.037 0.292 0.000 0.613 390 A CB -0.679 18.472 19.000 0.252 0.000 0.829 390 A HN 0.152 nan 8.150 nan 0.000 0.442 391 V N 0.634 120.647 119.914 0.165 0.000 2.231 391 V HA -0.353 3.766 4.120 -0.001 0.000 0.248 391 V C 2.580 178.732 176.094 0.096 0.000 1.054 391 V CA 2.541 64.916 62.300 0.125 0.000 1.015 391 V CB -1.020 30.847 31.823 0.074 0.000 0.638 391 V HN 0.833 nan 8.190 nan 0.000 0.444 392 E N 0.899 121.134 120.200 0.059 0.000 2.048 392 E HA -0.371 3.978 4.350 -0.001 0.000 0.202 392 E C 2.321 178.903 176.600 -0.031 0.000 1.021 392 E CA 2.410 58.819 56.400 0.016 0.000 0.825 392 E CB -0.318 29.387 29.700 0.008 0.000 0.756 392 E HN 0.596 nan 8.360 nan 0.000 0.454 393 K N -1.125 119.223 120.400 -0.087 0.000 2.211 393 K HA -0.122 4.197 4.320 -0.001 0.000 0.203 393 K C 1.208 177.506 176.600 -0.504 0.000 1.050 393 K CA 1.476 57.563 56.287 -0.334 0.000 0.945 393 K CB -0.009 32.177 32.500 -0.524 0.000 0.732 393 K HN 0.218 nan 8.250 nan 0.000 0.451 394 F N -0.575 119.392 119.950 0.027 0.000 2.767 394 F HA 0.320 4.847 4.527 -0.002 0.000 0.323 394 F C 0.298 176.111 175.800 0.021 0.000 1.091 394 F CA 0.062 58.077 58.000 0.026 0.000 1.192 394 F CB 1.676 40.694 39.000 0.031 0.000 1.056 394 F HN 0.071 nan 8.300 nan 0.000 0.571 395 G N 1.746 110.646 108.800 0.166 0.000 3.322 395 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.686 395 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.686 395 G C 0.456 175.414 174.900 0.097 0.000 1.015 395 G CA -0.192 44.970 45.100 0.104 0.000 0.826 395 G HN 0.070 nan 8.290 nan 0.000 0.538 396 E N 1.003 121.242 120.200 0.064 0.000 2.164 396 E HA -0.230 4.119 4.350 -0.001 0.000 0.206 396 E C 2.080 178.701 176.600 0.033 0.000 1.032 396 E CA 2.341 58.767 56.400 0.044 0.000 0.832 396 E CB -0.016 29.700 29.700 0.027 0.000 0.742 396 E HN 0.866 nan 8.360 nan 0.000 0.460 397 E N -0.483 119.737 120.200 0.034 0.000 2.204 397 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 397 E C 1.294 177.910 176.600 0.028 0.000 0.989 397 E CA 0.589 57.004 56.400 0.024 0.000 0.824 397 E CB -0.079 29.635 29.700 0.023 0.000 0.756 397 E HN 0.256 nan 8.360 nan 0.000 0.477 398 N N 0.344 119.074 118.700 0.050 0.000 2.270 398 N HA 0.073 4.812 4.740 -0.001 0.000 0.198 398 N C -0.094 175.428 175.510 0.020 0.000 1.117 398 N CA 0.363 53.439 53.050 0.043 0.000 0.845 398 N CB 0.933 39.467 38.487 0.078 0.000 0.980 398 N HN 0.078 nan 8.380 nan 0.000 0.486 399 I N 1.312 121.897 120.570 0.025 0.000 2.378 399 I HA 0.258 4.427 4.170 -0.001 0.000 0.291 399 I C 0.011 176.119 176.117 -0.014 0.000 0.992 399 I CA -0.346 60.960 61.300 0.011 0.000 1.154 399 I CB 1.911 39.939 38.000 0.047 0.000 1.315 399 I HN -0.249 nan 8.210 nan 0.000 0.448 400 E N 5.255 125.449 120.200 -0.010 0.000 2.183 400 E HA 0.489 4.838 4.350 -0.001 0.000 0.271 400 E C -1.055 175.511 176.600 -0.057 0.000 0.919 400 E CA -0.678 55.673 56.400 -0.080 0.000 0.781 400 E CB 2.958 32.614 29.700 -0.074 0.000 1.140 400 E HN 0.203 nan 8.360 nan 0.000 0.402 401 V N 4.363 124.166 119.914 -0.186 0.000 2.376 401 V HA 0.278 4.397 4.120 -0.001 0.000 0.287 401 V C -1.023 174.928 176.094 -0.240 0.000 1.015 401 V CA -0.831 61.393 62.300 -0.127 0.000 0.834 401 V CB 0.404 32.129 31.823 -0.163 0.000 1.001 401 V HN 0.486 nan 8.190 nan 0.000 0.428 402 Y N 4.899 125.130 120.300 -0.115 0.000 2.326 402 Y HA 0.623 5.172 4.550 -0.001 0.000 0.337 402 Y C 0.750 176.618 175.900 -0.055 0.000 1.023 402 Y CA -0.511 57.544 58.100 -0.076 0.000 1.143 402 Y CB 0.784 39.219 38.460 -0.040 0.000 1.183 402 Y HN 0.822 nan 8.280 nan 0.000 0.485 403 H N -0.764 118.276 119.070 -0.051 0.000 2.977 403 H HA 0.894 5.449 4.556 -0.002 0.000 0.350 403 H C -1.241 173.965 175.328 -0.204 0.000 1.238 403 H CA -1.345 54.560 56.048 -0.239 0.000 1.124 403 H CB 2.355 31.979 29.762 -0.231 0.000 1.866 403 H HN 0.485 nan 8.280 nan 0.000 0.550 404 S N 0.492 115.969 115.700 -0.372 0.000 2.580 404 S HA 0.263 4.733 4.470 -0.001 0.000 0.281 404 S C -1.859 172.613 174.600 -0.213 0.000 1.129 404 S CA -0.712 57.347 58.200 -0.236 0.000 0.862 404 S CB 0.885 64.007 63.200 -0.130 0.000 1.090 404 S HN 0.558 nan 8.310 nan 0.000 0.451 405 Y N 2.181 122.522 120.300 0.069 0.000 2.356 405 Y HA 0.770 5.320 4.550 -0.001 0.000 0.341 405 Y C 0.293 176.361 175.900 0.281 0.000 1.343 405 Y CA 0.244 58.424 58.100 0.133 0.000 1.570 405 Y CB 0.857 39.352 38.460 0.058 0.000 1.558 405 Y HN 0.740 nan 8.280 nan 0.000 0.557 406 F N -2.268 117.821 119.950 0.233 0.000 2.769 406 F HA 0.408 4.934 4.527 -0.001 0.000 0.313 406 F C -2.241 173.716 175.800 0.262 0.000 1.146 406 F CA -1.718 56.383 58.000 0.168 0.000 0.934 406 F CB 0.794 39.814 39.000 0.034 0.000 1.283 406 F HN 0.363 nan 8.300 nan 0.000 0.443 407 W N 4.219 125.676 121.300 0.262 0.000 2.587 407 W HA 0.718 5.377 4.660 -0.001 0.000 0.324 407 W C -3.011 173.529 176.519 0.035 0.000 1.008 407 W CA -3.272 54.133 57.345 0.099 0.000 1.265 407 W CB 1.612 31.155 29.460 0.138 0.000 1.328 407 W HN 0.383 nan 8.180 nan 0.000 0.432 408 P HA -0.095 nan 4.420 nan 0.000 0.260 408 P C 1.089 178.144 177.300 -0.408 0.000 1.185 408 P CA 0.079 62.936 63.100 -0.404 0.000 0.763 408 P CB 0.646 31.767 31.700 -0.965 0.000 0.776 409 L N 4.864 125.932 121.223 -0.258 0.000 2.051 409 L HA -0.255 4.084 4.340 -0.001 0.000 0.214 409 L C 1.678 178.468 176.870 -0.132 0.000 1.076 409 L CA 2.072 56.770 54.840 -0.237 0.000 0.758 409 L CB -0.896 41.078 42.059 -0.141 0.000 0.890 409 L HN 0.317 nan 8.230 nan 0.000 0.433 410 E N -1.371 118.807 120.200 -0.037 0.000 2.267 410 E HA -0.229 4.120 4.350 -0.001 0.000 0.197 410 E C 1.655 178.482 176.600 0.377 0.000 0.998 410 E CA 1.374 57.877 56.400 0.171 0.000 0.830 410 E CB -0.299 29.495 29.700 0.157 0.000 0.751 410 E HN 0.604 nan 8.360 nan 0.000 0.491 411 W N 0.215 121.512 121.300 -0.006 0.000 2.863 411 W HA 0.086 4.745 4.660 -0.001 0.000 0.258 411 W C 2.057 178.594 176.519 0.030 0.000 1.298 411 W CA 1.114 58.513 57.345 0.090 0.000 1.451 411 W CB -1.090 28.515 29.460 0.240 0.000 1.107 411 W HN 0.151 nan 8.180 nan 0.000 0.641 412 T N -1.727 112.768 114.554 -0.098 0.000 2.746 412 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 412 T C 1.821 176.532 174.700 0.020 0.000 1.039 412 T CA 1.169 63.159 62.100 -0.184 0.000 1.142 412 T CB -0.555 68.013 68.868 -0.500 0.000 0.866 412 T HN -0.127 nan 8.240 nan 0.000 0.444 413 I N 2.950 123.488 120.570 -0.052 0.000 2.179 413 I HA -0.042 4.127 4.170 -0.001 0.000 0.242 413 I C -0.225 175.856 176.117 -0.061 0.000 1.088 413 I CA 1.016 62.201 61.300 -0.191 0.000 1.357 413 I CB -2.096 35.463 38.000 -0.734 0.000 1.051 413 I HN 0.307 nan 8.210 nan 0.000 0.409 414 P HA -0.075 nan 4.420 nan 0.000 0.237 414 P C 0.444 177.832 177.300 0.147 0.000 1.178 414 P CA 0.597 63.780 63.100 0.139 0.000 0.766 414 P CB -0.062 31.773 31.700 0.225 0.000 0.876 415 S N 0.422 116.247 115.700 0.209 0.000 3.477 415 S HA -0.169 4.300 4.470 -0.001 0.000 0.426 415 S C 0.107 174.862 174.600 0.258 0.000 0.874 415 S CA 0.513 58.882 58.200 0.283 0.000 1.341 415 S CB -1.499 61.806 63.200 0.175 0.000 0.917 415 S HN 0.682 nan 8.310 nan 0.000 0.607 416 R N 1.231 121.951 120.500 0.367 0.000 2.710 416 R HA 0.591 4.930 4.340 -0.001 0.000 0.270 416 R C -0.829 175.640 176.300 0.283 0.000 1.021 416 R CA -0.386 55.835 56.100 0.203 0.000 0.889 416 R CB 0.426 30.752 30.300 0.044 0.000 1.243 416 R HN 0.150 nan 8.270 nan 0.000 0.464 417 D N 0.718 121.179 120.400 0.101 0.000 2.697 417 D HA -0.192 4.447 4.640 -0.001 0.000 0.235 417 D C -0.700 175.671 176.300 0.119 0.000 1.167 417 D CA 0.996 55.078 54.000 0.137 0.000 0.656 417 D CB -0.605 40.225 40.800 0.050 0.000 1.025 417 D HN 0.567 nan 8.370 nan 0.000 0.419 418 N N 1.566 120.044 118.700 -0.369 0.000 2.453 418 N HA -0.043 4.696 4.740 -0.001 0.000 0.253 418 N C 0.535 175.789 175.510 -0.426 0.000 1.252 418 N CA 0.221 52.644 53.050 -1.044 0.000 0.917 418 N CB 0.329 38.043 38.487 -1.288 0.000 1.117 418 N HN 0.108 nan 8.380 nan 0.000 0.442 419 N N 1.250 119.768 118.700 -0.303 0.000 2.705 419 N HA -0.197 4.542 4.740 -0.001 0.000 0.255 419 N C -0.183 175.292 175.510 -0.058 0.000 1.008 419 N CA 0.525 53.469 53.050 -0.176 0.000 0.742 419 N CB -0.169 38.044 38.487 -0.457 0.000 0.906 419 N HN 0.610 nan 8.380 nan 0.000 0.541 420 K N -0.941 119.538 120.400 0.130 0.000 2.403 420 K HA 0.192 4.511 4.320 -0.001 0.000 0.199 420 K C 0.745 177.412 176.600 0.111 0.000 1.199 420 K CA 0.328 56.724 56.287 0.183 0.000 0.924 420 K CB 0.046 32.708 32.500 0.271 0.000 1.137 420 K HN 0.282 nan 8.250 nan 0.000 0.510 421 C N 2.242 121.485 119.300 -0.096 0.000 2.662 421 C HA 0.308 4.767 4.460 -0.001 0.000 0.420 421 C C 0.285 174.861 174.990 -0.690 0.000 1.314 421 C CA -0.384 58.269 59.018 -0.608 0.000 1.963 421 C CB -1.180 25.785 27.740 -1.292 0.000 2.686 421 C HN 0.380 nan 8.230 nan 0.000 0.609 422 Y N 0.638 120.515 120.300 -0.704 0.000 2.571 422 Y HA 0.649 5.198 4.550 -0.001 0.000 0.341 422 Y C -0.499 175.339 175.900 -0.103 0.000 1.076 422 Y CA -0.593 57.220 58.100 -0.479 0.000 1.029 422 Y CB 1.233 39.369 38.460 -0.540 0.000 1.308 422 Y HN 0.873 nan 8.280 nan 0.000 0.461 423 A N 5.286 127.684 122.820 -0.704 0.000 2.449 423 A HA 0.808 5.127 4.320 -0.001 0.000 0.302 423 A C -1.687 175.349 177.584 -0.914 0.000 1.048 423 A CA -0.758 50.847 52.037 -0.721 0.000 0.708 423 A CB 1.696 20.088 19.000 -1.014 0.000 1.274 423 A HN 0.756 nan 8.150 nan 0.000 0.410 424 K N 1.839 121.916 120.400 -0.538 0.000 2.557 424 K HA 0.692 5.011 4.320 -0.001 0.000 0.261 424 K C -1.740 174.845 176.600 -0.026 0.000 0.932 424 K CA -0.631 55.486 56.287 -0.284 0.000 0.829 424 K CB 1.634 34.002 32.500 -0.219 0.000 1.358 424 K HN 1.104 nan 8.250 nan 0.000 0.430 425 I N 0.184 120.786 120.570 0.054 0.000 2.689 425 I HA 0.591 4.760 4.170 -0.001 0.000 0.299 425 I C -1.273 174.939 176.117 0.158 0.000 1.059 425 I CA -1.360 60.020 61.300 0.134 0.000 1.055 425 I CB 1.882 39.953 38.000 0.118 0.000 1.243 425 I HN 0.520 nan 8.210 nan 0.000 0.425 426 I N 4.500 125.170 120.570 0.167 0.000 2.406 426 I HA 0.463 4.633 4.170 -0.001 0.000 0.290 426 I C -0.633 175.543 176.117 0.099 0.000 0.999 426 I CA -0.074 61.308 61.300 0.137 0.000 1.124 426 I CB 1.665 39.759 38.000 0.156 0.000 1.289 426 I HN 0.663 nan 8.210 nan 0.000 0.441 427 C N 4.024 123.381 119.300 0.094 0.000 2.493 427 C HA 0.471 4.930 4.460 -0.001 0.000 0.326 427 C C 0.187 175.145 174.990 -0.054 0.000 1.200 427 C CA -0.772 58.268 59.018 0.036 0.000 1.739 427 C CB 1.501 29.313 27.740 0.120 0.000 2.300 427 C HN 0.721 nan 8.230 nan 0.000 0.500 428 N N 0.977 119.584 118.700 -0.154 0.000 2.558 428 N HA 0.161 4.900 4.740 -0.001 0.000 0.233 428 N C 1.008 176.443 175.510 -0.125 0.000 1.038 428 N CA 0.023 52.916 53.050 -0.262 0.000 0.934 428 N CB 0.775 38.935 38.487 -0.545 0.000 1.175 428 N HN 0.676 nan 8.380 nan 0.000 0.512 429 T N 2.323 116.842 114.554 -0.057 0.000 2.721 429 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 429 T C 1.311 176.002 174.700 -0.016 0.000 1.038 429 T CA 1.288 63.380 62.100 -0.014 0.000 1.145 429 T CB 0.079 68.949 68.868 0.003 0.000 0.858 429 T HN 0.477 nan 8.240 nan 0.000 0.459 430 K N 0.939 121.325 120.400 -0.024 0.000 2.439 430 K HA 0.040 4.359 4.320 -0.001 0.000 0.197 430 K C 0.475 177.070 176.600 -0.008 0.000 1.041 430 K CA 0.644 56.932 56.287 0.002 0.000 0.970 430 K CB 0.022 32.546 32.500 0.039 0.000 0.773 430 K HN 0.322 nan 8.250 nan 0.000 0.479 431 D N 1.192 121.566 120.400 -0.044 0.000 2.749 431 D HA 0.104 4.743 4.640 -0.001 0.000 0.338 431 D C -0.830 175.450 176.300 -0.033 0.000 1.236 431 D CA -0.300 53.679 54.000 -0.036 0.000 0.845 431 D CB -0.356 40.409 40.800 -0.058 0.000 1.080 431 D HN -0.040 nan 8.370 nan 0.000 0.497 432 N N 2.451 121.142 118.700 -0.016 0.000 2.707 432 N HA -0.255 4.484 4.740 -0.001 0.000 0.253 432 N C -0.720 174.780 175.510 -0.016 0.000 0.998 432 N CA 1.107 54.151 53.050 -0.010 0.000 0.751 432 N CB -1.031 37.452 38.487 -0.007 0.000 0.920 432 N HN 0.679 nan 8.380 nan 0.000 0.539 433 E N -2.210 117.980 120.200 -0.018 0.000 2.183 433 E HA -0.301 4.048 4.350 -0.001 0.000 0.196 433 E C 0.235 176.814 176.600 -0.035 0.000 1.364 433 E CA 0.601 56.993 56.400 -0.013 0.000 0.700 433 E CB -0.568 29.145 29.700 0.021 0.000 1.106 433 E HN 0.408 nan 8.360 nan 0.000 0.347 434 R N 0.323 120.786 120.500 -0.062 0.000 2.537 434 R HA 0.118 4.458 4.340 -0.001 0.000 0.280 434 R C -0.424 175.846 176.300 -0.051 0.000 1.058 434 R CA -0.026 56.040 56.100 -0.056 0.000 1.057 434 R CB 0.797 31.051 30.300 -0.076 0.000 0.973 434 R HN 0.061 nan 8.270 nan 0.000 0.438 435 V N 7.341 127.245 119.914 -0.016 0.000 2.370 435 V HA 0.019 4.138 4.120 -0.001 0.000 0.257 435 V C 1.130 177.239 176.094 0.026 0.000 1.064 435 V CA 0.172 62.481 62.300 0.015 0.000 0.975 435 V CB 0.657 32.505 31.823 0.041 0.000 1.067 435 V HN 0.805 nan 8.190 nan 0.000 0.485 436 V N 2.056 121.983 119.914 0.022 0.000 3.608 436 V HA 0.577 4.696 4.120 -0.001 0.000 0.269 436 V C 0.816 176.981 176.094 0.118 0.000 1.245 436 V CA 0.796 63.127 62.300 0.053 0.000 1.138 436 V CB -0.036 31.797 31.823 0.017 0.000 0.841 436 V HN 0.761 nan 8.190 nan 0.000 0.451 437 G N -0.180 108.705 108.800 0.142 0.000 2.746 437 G HA2 0.579 4.538 3.960 -0.001 0.000 0.297 437 G HA3 0.579 4.538 3.960 -0.001 0.000 0.297 437 G C -2.014 173.005 174.900 0.199 0.000 1.426 437 G CA -0.555 44.655 45.100 0.183 0.000 0.989 437 G HN 0.254 nan 8.290 nan 0.000 0.520 438 F N 2.984 122.830 119.950 -0.174 0.000 2.562 438 F HA 0.629 5.155 4.527 -0.001 0.000 0.319 438 F C -0.918 174.684 175.800 -0.331 0.000 1.154 438 F CA -0.789 57.112 58.000 -0.164 0.000 0.931 438 F CB 1.507 40.346 39.000 -0.268 0.000 1.198 438 F HN 0.510 nan 8.300 nan 0.000 0.444 439 H N 5.251 124.128 119.070 -0.322 0.000 2.667 439 H HA 0.706 5.261 4.556 -0.001 0.000 0.353 439 H C -1.425 173.878 175.328 -0.041 0.000 1.072 439 H CA -1.007 55.052 56.048 0.018 0.000 1.214 439 H CB 2.470 32.371 29.762 0.232 0.000 1.600 439 H HN 0.544 nan 8.280 nan 0.000 0.527 440 V N 4.829 124.940 119.914 0.328 0.000 2.668 440 V HA 0.258 4.378 4.120 -0.001 0.000 0.304 440 V C -1.566 174.766 176.094 0.396 0.000 1.071 440 V CA -0.749 61.760 62.300 0.348 0.000 0.894 440 V CB 2.195 34.291 31.823 0.456 0.000 1.008 440 V HN 0.482 nan 8.190 nan 0.000 0.425 441 L N 7.369 128.742 121.223 0.251 0.000 2.316 441 L HA 1.062 5.401 4.340 -0.001 0.000 0.280 441 L C -0.008 176.900 176.870 0.063 0.000 1.006 441 L CA 0.857 55.775 54.840 0.131 0.000 0.836 441 L CB 0.710 42.764 42.059 -0.008 0.000 1.221 441 L HN 1.030 nan 8.230 nan 0.000 0.418 442 G N 4.567 113.437 108.800 0.118 0.000 2.315 442 G HA2 0.315 4.274 3.960 -0.001 0.000 0.294 442 G HA3 0.315 4.274 3.960 -0.001 0.000 0.294 442 G C -3.401 171.602 174.900 0.171 0.000 1.300 442 G CA -0.662 44.493 45.100 0.091 0.000 0.843 442 G HN 0.441 nan 8.290 nan 0.000 0.527 443 P HA 0.124 nan 4.420 nan 0.000 0.270 443 P C -0.084 177.333 177.300 0.195 0.000 1.223 443 P CA 0.117 63.342 63.100 0.207 0.000 0.785 443 P CB 0.297 32.109 31.700 0.186 0.000 0.923 444 N N -0.448 118.379 118.700 0.212 0.000 2.701 444 N HA -0.255 4.484 4.740 -0.001 0.000 0.250 444 N C 1.217 176.840 175.510 0.188 0.000 1.046 444 N CA 1.031 54.200 53.050 0.197 0.000 0.733 444 N CB -1.583 36.987 38.487 0.139 0.000 0.973 444 N HN 0.584 nan 8.380 nan 0.000 0.541 445 A N 0.008 122.940 122.820 0.187 0.000 1.986 445 A HA -0.064 4.255 4.320 -0.001 0.000 0.220 445 A C 2.314 179.967 177.584 0.114 0.000 1.171 445 A CA 2.156 54.290 52.037 0.161 0.000 0.640 445 A CB -0.747 18.323 19.000 0.116 0.000 0.811 445 A HN 0.533 nan 8.150 nan 0.000 0.451 446 G N -0.593 108.270 108.800 0.104 0.000 2.402 446 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.216 446 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.216 446 G C 1.356 176.306 174.900 0.082 0.000 1.162 446 G CA 0.866 46.022 45.100 0.093 0.000 0.777 446 G HN 0.491 nan 8.290 nan 0.000 0.539 447 E N 0.523 120.786 120.200 0.104 0.000 2.118 447 E HA -0.093 4.256 4.350 -0.001 0.000 0.195 447 E C 2.796 179.425 176.600 0.047 0.000 0.992 447 E CA 0.807 57.244 56.400 0.061 0.000 0.804 447 E CB -0.520 29.221 29.700 0.068 0.000 0.741 447 E HN 0.342 nan 8.360 nan 0.000 0.458 448 V N 1.203 121.176 119.914 0.098 0.000 2.548 448 V HA -0.151 3.969 4.120 -0.001 0.000 0.249 448 V C 2.169 178.320 176.094 0.097 0.000 1.055 448 V CA 1.879 64.261 62.300 0.137 0.000 1.065 448 V CB -0.569 31.400 31.823 0.244 0.000 0.681 448 V HN 0.262 nan 8.190 nan 0.000 0.462 449 T N -1.097 113.481 114.554 0.041 0.000 2.978 449 T HA -0.136 4.213 4.350 -0.001 0.000 0.262 449 T C 1.844 176.429 174.700 -0.192 0.000 1.063 449 T CA 1.044 63.078 62.100 -0.109 0.000 1.140 449 T CB -0.117 68.727 68.868 -0.039 0.000 0.886 449 T HN 0.362 nan 8.240 nan 0.000 0.470 450 Q N 1.825 121.556 119.800 -0.115 0.000 2.062 450 Q HA -0.120 4.219 4.340 -0.001 0.000 0.209 450 Q C 2.392 178.278 176.000 -0.189 0.000 0.996 450 Q CA 2.459 58.186 55.803 -0.126 0.000 0.859 450 Q CB -1.155 27.533 28.738 -0.083 0.000 0.920 450 Q HN 0.504 nan 8.270 nan 0.000 0.415 451 G N -1.198 107.457 108.800 -0.242 0.000 2.421 451 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 451 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 451 G C 1.070 175.695 174.900 -0.458 0.000 1.171 451 G CA 0.770 45.660 45.100 -0.350 0.000 0.775 451 G HN 0.413 nan 8.290 nan 0.000 0.543 452 F N 1.850 121.528 119.950 -0.454 0.000 2.408 452 F HA 0.107 4.633 4.527 -0.001 0.000 0.300 452 F C 2.849 178.377 175.800 -0.454 0.000 1.090 452 F CA 0.475 58.131 58.000 -0.573 0.000 1.427 452 F CB -0.150 38.139 39.000 -1.185 0.000 1.070 452 F HN 0.250 nan 8.300 nan 0.000 0.549 453 A N 0.038 122.706 122.820 -0.253 0.000 1.855 453 A HA -0.031 4.288 4.320 -0.001 0.000 0.215 453 A C 2.479 179.982 177.584 -0.136 0.000 1.191 453 A CA 1.560 53.490 52.037 -0.178 0.000 0.613 453 A CB -1.301 17.608 19.000 -0.152 0.000 0.829 453 A HN 0.267 nan 8.150 nan 0.000 0.442 454 A N -0.067 122.662 122.820 -0.151 0.000 1.940 454 A HA 0.084 4.403 4.320 -0.001 0.000 0.219 454 A C 2.474 179.989 177.584 -0.114 0.000 1.176 454 A CA 2.270 54.232 52.037 -0.125 0.000 0.631 454 A CB -1.003 17.914 19.000 -0.137 0.000 0.814 454 A HN 1.092 nan 8.150 nan 0.000 0.446 455 A N -0.164 122.572 122.820 -0.140 0.000 1.902 455 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 455 A C 2.142 179.698 177.584 -0.046 0.000 1.181 455 A CA 1.506 53.486 52.037 -0.094 0.000 0.623 455 A CB -0.594 18.358 19.000 -0.079 0.000 0.818 455 A HN 0.480 nan 8.150 nan 0.000 0.443 456 L N -0.574 120.622 121.223 -0.045 0.000 2.083 456 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 456 L C 2.289 179.146 176.870 -0.021 0.000 1.083 456 L CA 1.483 56.310 54.840 -0.022 0.000 0.752 456 L CB -0.584 41.461 42.059 -0.023 0.000 0.899 456 L HN 0.398 nan 8.230 nan 0.000 0.433 457 K N -0.457 119.920 120.400 -0.037 0.000 2.442 457 K HA -0.101 4.218 4.320 -0.001 0.000 0.198 457 K C 1.665 178.249 176.600 -0.027 0.000 1.044 457 K CA 0.922 57.190 56.287 -0.031 0.000 0.948 457 K CB -0.114 32.359 32.500 -0.044 0.000 0.762 457 K HN 0.440 nan 8.250 nan 0.000 0.472 458 C N -0.084 119.198 119.300 -0.031 0.000 2.906 458 C HA 0.253 4.712 4.460 -0.001 0.000 0.274 458 C C 1.271 176.251 174.990 -0.017 0.000 1.257 458 C CA -0.067 58.935 59.018 -0.027 0.000 1.695 458 C CB -0.399 27.318 27.740 -0.038 0.000 1.958 458 C HN 0.675 nan 8.230 nan 0.000 0.619 459 G N 1.305 110.099 108.800 -0.010 0.000 2.142 459 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.225 459 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.225 459 G C -0.061 174.836 174.900 -0.005 0.000 1.015 459 G CA 0.097 45.194 45.100 -0.004 0.000 0.716 459 G HN 0.502 nan 8.290 nan 0.000 0.508 460 L N 1.501 122.722 121.223 -0.002 0.000 2.615 460 L HA 0.459 4.798 4.340 -0.001 0.000 0.284 460 L C 0.621 177.493 176.870 0.003 0.000 1.237 460 L CA 1.244 56.087 54.840 0.007 0.000 0.905 460 L CB 0.294 42.371 42.059 0.031 0.000 1.149 460 L HN 0.221 nan 8.230 nan 0.000 0.499 461 T N 4.408 118.960 114.554 -0.004 0.000 2.918 461 T HA 0.242 4.591 4.350 -0.001 0.000 0.286 461 T C 0.822 175.504 174.700 -0.030 0.000 1.026 461 T CA -0.476 61.614 62.100 -0.017 0.000 1.031 461 T CB 1.865 70.723 68.868 -0.016 0.000 1.046 461 T HN 0.663 nan 8.240 nan 0.000 0.479 462 K N 2.148 122.511 120.400 -0.062 0.000 2.103 462 K HA -0.031 4.288 4.320 -0.001 0.000 0.207 462 K C 2.000 178.547 176.600 -0.087 0.000 1.048 462 K CA 1.666 57.877 56.287 -0.126 0.000 0.930 462 K CB -0.065 32.298 32.500 -0.228 0.000 0.716 462 K HN 0.457 nan 8.250 nan 0.000 0.444 463 K N 0.220 120.590 120.400 -0.050 0.000 2.026 463 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 463 K C 2.146 178.734 176.600 -0.020 0.000 1.048 463 K CA 1.886 58.155 56.287 -0.029 0.000 0.929 463 K CB -0.047 32.444 32.500 -0.015 0.000 0.713 463 K HN 0.320 nan 8.250 nan 0.000 0.439 464 Q N 0.327 120.119 119.800 -0.014 0.000 2.167 464 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 464 Q C 2.090 178.093 176.000 0.006 0.000 0.970 464 Q CA 0.958 56.757 55.803 -0.006 0.000 0.855 464 Q CB -0.059 28.676 28.738 -0.005 0.000 0.911 464 Q HN 0.212 nan 8.270 nan 0.000 0.438 465 L N 1.235 122.464 121.223 0.010 0.000 2.017 465 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 465 L C 1.412 178.300 176.870 0.029 0.000 1.073 465 L CA 1.895 56.763 54.840 0.046 0.000 0.745 465 L CB -0.373 41.714 42.059 0.046 0.000 0.894 465 L HN 0.071 nan 8.230 nan 0.000 0.432 466 D N -0.866 119.529 120.400 -0.009 0.000 2.218 466 D HA -0.140 4.499 4.640 -0.001 0.000 0.204 466 D C 2.290 178.590 176.300 0.000 0.000 0.976 466 D CA 1.361 55.355 54.000 -0.011 0.000 0.853 466 D CB -0.049 40.734 40.800 -0.027 0.000 0.939 466 D HN 0.577 nan 8.370 nan 0.000 0.481 467 S N -0.852 114.848 115.700 0.001 0.000 2.603 467 S HA 0.013 4.482 4.470 -0.001 0.000 0.220 467 S C 0.836 175.437 174.600 0.002 0.000 0.967 467 S CA -0.150 58.049 58.200 -0.001 0.000 0.920 467 S CB -0.030 63.167 63.200 -0.004 0.000 0.773 467 S HN -0.080 nan 8.310 nan 0.000 0.529 468 T N 3.891 118.452 114.554 0.011 0.000 2.889 468 T HA 0.482 4.831 4.350 -0.001 0.000 0.291 468 T C -0.123 174.586 174.700 0.016 0.000 0.995 468 T CA -0.534 61.573 62.100 0.011 0.000 1.092 468 T CB 0.776 69.658 68.868 0.025 0.000 0.954 468 T HN 0.121 nan 8.240 nan 0.000 0.506 469 I N 2.277 122.850 120.570 0.006 0.000 2.428 469 I HA 0.388 4.557 4.170 -0.001 0.000 0.296 469 I C 1.253 177.380 176.117 0.017 0.000 0.985 469 I CA -0.587 60.717 61.300 0.007 0.000 1.260 469 I CB 0.876 38.875 38.000 -0.001 0.000 1.389 469 I HN 0.733 nan 8.210 nan 0.000 0.484 470 G N 5.545 114.357 108.800 0.020 0.000 2.616 470 G HA2 0.522 4.481 3.960 -0.001 0.000 0.268 470 G HA3 0.522 4.481 3.960 -0.001 0.000 0.268 470 G C -0.304 174.617 174.900 0.035 0.000 1.213 470 G CA -0.517 44.604 45.100 0.035 0.000 0.926 470 G HN 0.504 nan 8.290 nan 0.000 0.523 471 I N 0.171 120.772 120.570 0.051 0.000 2.354 471 I HA 0.237 4.406 4.170 -0.001 0.000 0.292 471 I C -0.562 175.625 176.117 0.118 0.000 0.989 471 I CA -0.674 60.662 61.300 0.059 0.000 1.188 471 I CB 1.741 39.761 38.000 0.034 0.000 1.342 471 I HN 0.444 nan 8.210 nan 0.000 0.457 472 H N 7.600 126.665 119.070 -0.007 0.000 2.495 472 H HA 0.581 5.137 4.556 -0.002 0.000 0.348 472 H C -2.416 172.906 175.328 -0.009 0.000 1.113 472 H CA -1.959 54.083 56.048 -0.009 0.000 1.195 472 H CB 1.697 31.455 29.762 -0.007 0.000 1.521 472 H HN 0.297 nan 8.280 nan 0.000 0.509 473 P HA 0.371 nan 4.420 nan 0.000 0.300 473 P C -1.513 175.743 177.300 -0.072 0.000 1.375 473 P CA -0.535 62.355 63.100 -0.349 0.000 0.864 473 P CB 1.240 32.530 31.700 -0.683 0.000 0.958 474 V N 3.155 123.089 119.914 0.034 0.000 2.808 474 V HA 0.069 4.188 4.120 -0.001 0.000 0.308 474 V C 1.314 177.409 176.094 0.001 0.000 1.099 474 V CA -0.500 61.806 62.300 0.011 0.000 0.920 474 V CB 1.941 33.778 31.823 0.024 0.000 1.014 474 V HN 0.694 nan 8.190 nan 0.000 0.425 475 C N 2.985 122.271 119.300 -0.024 0.000 2.393 475 C HA -0.174 4.285 4.460 -0.001 0.000 0.276 475 C C 2.823 177.715 174.990 -0.163 0.000 1.215 475 C CA 1.467 60.418 59.018 -0.112 0.000 1.743 475 C CB -1.189 26.550 27.740 -0.001 0.000 2.044 475 C HN 1.060 nan 8.230 nan 0.000 0.464 476 A N 1.544 124.377 122.820 0.022 0.000 2.104 476 A HA -0.288 4.031 4.320 -0.001 0.000 0.223 476 A C 2.039 179.738 177.584 0.191 0.000 1.164 476 A CA 2.195 54.340 52.037 0.179 0.000 0.659 476 A CB -0.825 18.302 19.000 0.211 0.000 0.808 476 A HN 0.886 nan 8.150 nan 0.000 0.465 477 E N -0.449 119.787 120.200 0.060 0.000 2.268 477 E HA -0.103 4.246 4.350 -0.001 0.000 0.195 477 E C 1.550 178.153 176.600 0.004 0.000 0.995 477 E CA 1.030 57.468 56.400 0.063 0.000 0.836 477 E CB -0.668 29.056 29.700 0.040 0.000 0.763 477 E HN 0.302 nan 8.360 nan 0.000 0.491 478 V N 0.271 120.090 119.914 -0.159 0.000 2.660 478 V HA -0.236 3.883 4.120 -0.001 0.000 0.257 478 V C 1.278 177.213 176.094 -0.265 0.000 1.088 478 V CA 1.589 63.703 62.300 -0.310 0.000 1.106 478 V CB -0.618 30.769 31.823 -0.727 0.000 0.686 478 V HN 0.340 nan 8.190 nan 0.000 0.481 479 F N -0.229 119.632 119.950 -0.149 0.000 2.743 479 F HA 0.050 4.576 4.527 -0.001 0.000 0.297 479 F C 2.279 178.048 175.800 -0.051 0.000 1.131 479 F CA 1.203 59.117 58.000 -0.143 0.000 1.426 479 F CB -0.294 38.566 39.000 -0.234 0.000 1.116 479 F HN 0.088 nan 8.300 nan 0.000 0.583 480 T N -1.402 113.246 114.554 0.157 0.000 2.942 480 T HA -0.100 4.249 4.350 -0.001 0.000 0.265 480 T C 1.658 176.377 174.700 0.031 0.000 1.062 480 T CA 1.826 63.988 62.100 0.104 0.000 1.139 480 T CB -0.298 68.616 68.868 0.077 0.000 0.883 480 T HN 0.258 nan 8.240 nan 0.000 0.468 481 T N 0.276 114.828 114.554 -0.003 0.000 3.293 481 T HA 0.453 4.802 4.350 -0.001 0.000 0.276 481 T C 0.211 174.897 174.700 -0.023 0.000 1.003 481 T CA -0.408 61.681 62.100 -0.018 0.000 0.916 481 T CB -0.681 68.172 68.868 -0.024 0.000 1.134 481 T HN 0.154 nan 8.240 nan 0.000 0.530 482 L N 2.670 123.870 121.223 -0.039 0.000 2.500 482 L HA 0.247 4.586 4.340 -0.001 0.000 0.272 482 L C 1.257 178.187 176.870 0.101 0.000 1.149 482 L CA -0.233 54.605 54.840 -0.003 0.000 0.897 482 L CB 0.516 42.555 42.059 -0.032 0.000 1.178 482 L HN 0.511 nan 8.230 nan 0.000 0.473 483 S N 1.028 116.809 115.700 0.136 0.000 2.593 483 S HA 0.132 4.602 4.470 -0.001 0.000 0.235 483 S C 0.312 175.018 174.600 0.177 0.000 1.059 483 S CA -0.406 57.899 58.200 0.176 0.000 0.953 483 S CB 0.440 63.695 63.200 0.093 0.000 0.897 483 S HN 0.256 nan 8.310 nan 0.000 0.507 484 V N 4.355 124.358 119.914 0.148 0.000 2.406 484 V HA 0.490 4.610 4.120 -0.001 0.000 0.272 484 V C 0.699 176.828 176.094 0.058 0.000 1.043 484 V CA -0.335 62.027 62.300 0.104 0.000 0.915 484 V CB 0.662 32.560 31.823 0.126 0.000 0.988 484 V HN 0.607 nan 8.190 nan 0.000 0.466 485 T N 1.499 115.977 114.554 -0.127 0.000 2.902 485 T HA 0.378 4.727 4.350 -0.001 0.000 0.280 485 T C 0.849 175.409 174.700 -0.234 0.000 0.992 485 T CA -0.645 61.251 62.100 -0.341 0.000 1.015 485 T CB 1.663 70.219 68.868 -0.519 0.000 1.044 485 T HN 0.522 nan 8.240 nan 0.000 0.520 486 K N -0.310 119.843 120.400 -0.411 0.000 2.103 486 K HA 0.032 4.351 4.320 -0.001 0.000 0.204 486 K C 2.579 179.089 176.600 -0.149 0.000 1.052 486 K CA 0.446 56.523 56.287 -0.349 0.000 0.945 486 K CB -0.073 32.169 32.500 -0.431 0.000 0.722 486 K HN 0.585 nan 8.250 nan 0.000 0.443 487 R N 0.766 121.169 120.500 -0.162 0.000 2.083 487 R HA -0.161 4.178 4.340 -0.001 0.000 0.237 487 R C 2.266 178.525 176.300 -0.068 0.000 1.137 487 R CA 2.104 58.144 56.100 -0.101 0.000 0.951 487 R CB -0.241 29.994 30.300 -0.107 0.000 0.851 487 R HN 0.251 nan 8.270 nan 0.000 0.434 488 S N -1.348 114.306 115.700 -0.077 0.000 2.369 488 S HA -0.121 4.348 4.470 -0.001 0.000 0.225 488 S C 1.700 176.293 174.600 -0.011 0.000 1.043 488 S CA 1.547 59.723 58.200 -0.041 0.000 1.074 488 S CB -0.655 62.522 63.200 -0.038 0.000 0.962 488 S HN 0.648 nan 8.310 nan 0.000 0.433 489 G N 0.858 109.664 108.800 0.010 0.000 2.284 489 G HA2 0.121 4.080 3.960 -0.001 0.000 0.201 489 G HA3 0.121 4.080 3.960 -0.001 0.000 0.201 489 G C 0.273 175.202 174.900 0.048 0.000 0.998 489 G CA 0.040 45.157 45.100 0.029 0.000 0.651 489 G HN 1.331 nan 8.290 nan 0.000 0.489 490 A N 0.574 123.424 122.820 0.051 0.000 2.547 490 A HA 0.587 4.906 4.320 -0.001 0.000 0.233 490 A C 0.952 178.577 177.584 0.068 0.000 1.067 490 A CA 1.371 53.439 52.037 0.052 0.000 0.763 490 A CB 0.210 19.240 19.000 0.050 0.000 1.007 490 A HN 1.098 nan 8.150 nan 0.000 0.506 491 S N -0.168 115.559 115.700 0.044 0.000 2.610 491 S HA 0.445 4.914 4.470 -0.001 0.000 0.273 491 S C 0.894 175.515 174.600 0.035 0.000 1.274 491 S CA 0.043 58.265 58.200 0.037 0.000 1.023 491 S CB 0.662 63.872 63.200 0.015 0.000 0.962 491 S HN 0.779 nan 8.310 nan 0.000 0.523 492 I N -0.013 120.579 120.570 0.037 0.000 3.762 492 I HA 0.376 4.546 4.170 -0.001 0.000 0.333 492 I C -0.127 176.064 176.117 0.123 0.000 1.566 492 I CA -0.302 61.035 61.300 0.062 0.000 1.129 492 I CB -0.213 37.754 38.000 -0.056 0.000 1.218 492 I HN 0.324 nan 8.210 nan 0.000 0.456 493 L N 0.000 121.239 121.223 0.027 0.000 2.949 493 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 493 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 493 L CB 0.000 42.031 42.059 -0.047 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502