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 1fvv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.464 32.600 -0.226 0.000 1.302 2 E N 0.101 120.293 120.200 -0.012 0.000 2.358 2 E HA 0.159 4.509 4.350 -0.000 0.000 0.195 2 E C 0.916 177.465 176.600 -0.085 0.000 1.010 2 E CA 0.996 57.370 56.400 -0.043 0.000 0.856 2 E CB -0.323 29.348 29.700 -0.048 0.000 0.795 2 E HN 0.483 nan 8.360 nan 0.000 0.504 3 N N 0.101 118.696 118.700 -0.175 0.000 2.461 3 N HA 0.038 4.778 4.740 -0.000 0.000 0.188 3 N C -0.715 174.505 175.510 -0.483 0.000 1.134 3 N CA 0.322 53.167 53.050 -0.340 0.000 0.878 3 N CB 0.165 38.376 38.487 -0.459 0.000 0.972 3 N HN 0.103 nan 8.380 nan 0.000 0.456 4 F N 0.560 120.452 119.950 -0.098 0.000 2.450 4 F HA 0.362 4.889 4.527 -0.000 0.000 0.332 4 F C 0.524 176.267 175.800 -0.094 0.000 1.093 4 F CA -0.995 56.947 58.000 -0.097 0.000 1.003 4 F CB 1.538 40.462 39.000 -0.126 0.000 1.151 4 F HN -0.253 nan 8.300 nan 0.000 0.474 5 Q N 3.440 123.310 119.800 0.117 0.000 2.327 5 Q HA 0.328 4.668 4.340 -0.000 0.000 0.270 5 Q C -1.118 174.905 176.000 0.038 0.000 1.022 5 Q CA -0.642 55.184 55.803 0.039 0.000 0.773 5 Q CB 1.193 29.934 28.738 0.006 0.000 1.251 5 Q HN 0.475 nan 8.270 nan 0.000 0.457 6 K N 2.515 122.915 120.400 0.000 0.000 2.326 6 K HA 0.200 4.520 4.320 -0.000 0.000 0.275 6 K C -0.001 176.612 176.600 0.022 0.000 1.018 6 K CA -0.159 56.125 56.287 -0.003 0.000 0.962 6 K CB 1.265 33.703 32.500 -0.104 0.000 0.953 6 K HN 0.485 nan 8.250 nan 0.000 0.475 7 V N 1.244 121.184 119.914 0.043 0.000 2.911 7 V HA -0.013 4.107 4.120 -0.000 0.000 0.237 7 V C 0.189 176.319 176.094 0.061 0.000 1.156 7 V CA 0.721 63.037 62.300 0.026 0.000 1.180 7 V CB 0.002 31.809 31.823 -0.026 0.000 0.932 7 V HN 0.982 nan 8.190 nan 0.000 0.483 8 E N -0.406 119.858 120.200 0.106 0.000 2.396 8 E HA 0.345 4.695 4.350 -0.000 0.000 0.280 8 E C -1.083 175.607 176.600 0.150 0.000 1.065 8 E CA -0.888 55.583 56.400 0.119 0.000 0.831 8 E CB 1.636 31.376 29.700 0.067 0.000 1.272 8 E HN 0.056 nan 8.360 nan 0.000 0.443 9 K N 2.366 122.812 120.400 0.077 0.000 2.276 9 K HA 0.304 4.624 4.320 -0.000 0.000 0.285 9 K C 0.342 176.905 176.600 -0.063 0.000 1.062 9 K CA -0.445 55.774 56.287 -0.114 0.000 0.918 9 K CB 0.466 32.851 32.500 -0.191 0.000 1.055 9 K HN 0.639 nan 8.250 nan 0.000 0.477 10 I N 0.803 121.335 120.570 -0.064 0.000 3.762 10 I HA 0.457 4.627 4.170 -0.000 0.000 0.333 10 I C -0.036 176.059 176.117 -0.036 0.000 1.566 10 I CA -0.646 60.660 61.300 0.011 0.000 1.129 10 I CB 0.764 38.847 38.000 0.138 0.000 1.218 10 I HN 0.621 nan 8.210 nan 0.000 0.456 11 G N 1.361 110.101 108.800 -0.099 0.000 2.046 11 G HA2 0.148 4.108 3.960 -0.000 0.000 0.245 11 G HA3 0.148 4.108 3.960 -0.000 0.000 0.245 11 G C -1.418 173.405 174.900 -0.129 0.000 1.723 11 G CA -0.748 44.294 45.100 -0.096 0.000 0.909 11 G HN 0.276 nan 8.290 nan 0.000 0.737 12 E N 0.674 120.815 120.200 -0.098 0.000 2.369 12 E HA 0.777 5.127 4.350 -0.000 0.000 0.255 12 E C 0.631 177.186 176.600 -0.074 0.000 1.172 12 E CA 0.658 57.004 56.400 -0.090 0.000 0.932 12 E CB 1.368 31.029 29.700 -0.064 0.000 1.040 12 E HN 1.477 nan 8.360 nan 0.000 0.454 13 G N -0.265 108.499 108.800 -0.058 0.000 2.733 13 G HA2 0.268 4.228 3.960 -0.000 0.000 0.297 13 G HA3 0.268 4.228 3.960 -0.000 0.000 0.297 13 G C -0.137 174.745 174.900 -0.029 0.000 1.452 13 G CA 0.028 45.102 45.100 -0.044 0.000 0.940 13 G HN 0.473 nan 8.290 nan 0.000 0.547 14 T N -0.846 113.693 114.554 -0.024 0.000 3.054 14 T HA 0.122 4.472 4.350 -0.000 0.000 0.259 14 T C 1.938 176.633 174.700 -0.008 0.000 1.092 14 T CA 2.635 64.726 62.100 -0.015 0.000 1.121 14 T CB -0.349 68.511 68.868 -0.015 0.000 0.912 14 T HN 1.054 nan 8.240 nan 0.000 0.489 15 Y N -0.115 120.180 120.300 -0.008 0.000 2.436 15 Y HA 0.579 5.129 4.550 -0.000 0.000 0.288 15 Y C 1.257 177.158 175.900 0.001 0.000 1.112 15 Y CA 0.004 58.105 58.100 0.002 0.000 1.220 15 Y CB -0.016 38.448 38.460 0.006 0.000 1.073 15 Y HN 0.546 nan 8.280 nan 0.000 0.552 16 G N -1.501 107.296 108.800 -0.005 0.000 2.377 16 G HA2 0.446 4.405 3.960 -0.000 0.000 0.297 16 G HA3 0.446 4.405 3.960 -0.000 0.000 0.297 16 G C -1.756 173.135 174.900 -0.014 0.000 1.547 16 G CA -0.067 45.031 45.100 -0.002 0.000 0.833 16 G HN 0.547 nan 8.290 nan 0.000 0.583 17 V N 0.281 120.191 119.914 -0.007 0.000 2.546 17 V HA 0.548 4.668 4.120 -0.000 0.000 0.284 17 V C 0.363 176.395 176.094 -0.104 0.000 1.050 17 V CA -0.586 61.658 62.300 -0.095 0.000 0.981 17 V CB 1.452 33.213 31.823 -0.104 0.000 0.990 17 V HN 0.628 nan 8.190 nan 0.000 0.474 18 V N 5.363 125.147 119.914 -0.218 0.000 2.398 18 V HA 0.486 4.606 4.120 -0.000 0.000 0.286 18 V C -0.899 175.056 176.094 -0.231 0.000 1.026 18 V CA -0.625 61.616 62.300 -0.097 0.000 0.868 18 V CB 1.151 32.947 31.823 -0.044 0.000 0.982 18 V HN 0.733 nan 8.190 nan 0.000 0.443 19 Y N 2.347 122.697 120.300 0.083 0.000 2.485 19 Y HA 0.487 5.037 4.550 -0.000 0.000 0.345 19 Y C 0.254 176.191 175.900 0.063 0.000 0.998 19 Y CA -1.069 57.073 58.100 0.069 0.000 1.059 19 Y CB 1.699 40.196 38.460 0.061 0.000 1.234 19 Y HN 0.482 nan 8.280 nan 0.000 0.461 20 K N 2.303 122.806 120.400 0.172 0.000 2.285 20 K HA 0.741 5.061 4.320 -0.000 0.000 0.286 20 K C -0.832 175.756 176.600 -0.019 0.000 1.072 20 K CA -0.089 56.176 56.287 -0.036 0.000 0.913 20 K CB 0.240 32.601 32.500 -0.232 0.000 1.067 20 K HN 0.843 nan 8.250 nan 0.000 0.479 21 A N 4.443 127.254 122.820 -0.016 0.000 2.389 21 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 21 A C -1.085 176.525 177.584 0.044 0.000 1.186 21 A CA -0.893 51.167 52.037 0.038 0.000 0.828 21 A CB 1.345 20.392 19.000 0.078 0.000 1.369 21 A HN 0.803 nan 8.150 nan 0.000 0.446 22 R N 0.514 121.079 120.500 0.109 0.000 2.621 22 R HA 0.271 4.611 4.340 -0.000 0.000 0.284 22 R C -1.405 174.949 176.300 0.091 0.000 0.998 22 R CA -0.702 55.444 56.100 0.076 0.000 0.895 22 R CB 1.325 31.627 30.300 0.004 0.000 1.195 22 R HN 0.810 nan 8.270 nan 0.000 0.450 23 N N 3.265 121.975 118.700 0.018 0.000 2.401 23 N HA 0.031 4.771 4.740 -0.000 0.000 0.255 23 N C 0.010 175.418 175.510 -0.170 0.000 1.110 23 N CA 0.295 53.218 53.050 -0.212 0.000 0.949 23 N CB 1.084 39.463 38.487 -0.181 0.000 1.110 23 N HN 0.574 nan 8.380 nan 0.000 0.490 24 K N 2.939 123.219 120.400 -0.201 0.000 2.515 24 K HA 0.003 4.322 4.320 -0.000 0.000 0.196 24 K C 1.082 177.608 176.600 -0.125 0.000 1.038 24 K CA 0.783 56.990 56.287 -0.133 0.000 0.967 24 K CB 0.404 32.830 32.500 -0.122 0.000 0.780 24 K HN 0.554 nan 8.250 nan 0.000 0.483 25 L N -0.732 120.397 121.223 -0.156 0.000 2.500 25 L HA 0.001 4.341 4.340 -0.000 0.000 0.219 25 L C 2.113 178.927 176.870 -0.092 0.000 1.057 25 L CA 0.746 55.514 54.840 -0.120 0.000 0.854 25 L CB 0.254 42.230 42.059 -0.138 0.000 1.078 25 L HN 0.189 nan 8.230 nan 0.000 0.480 26 T N -5.193 109.303 114.554 -0.097 0.000 2.971 26 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 26 T C 1.475 176.150 174.700 -0.041 0.000 1.022 26 T CA 0.629 62.692 62.100 -0.061 0.000 0.980 26 T CB 1.063 69.898 68.868 -0.055 0.000 1.044 26 T HN 0.315 nan 8.240 nan 0.000 0.501 27 G N 1.626 110.399 108.800 -0.045 0.000 2.217 27 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 27 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 27 G C -0.085 174.812 174.900 -0.004 0.000 0.990 27 G CA 0.206 45.291 45.100 -0.025 0.000 0.627 27 G HN 0.888 nan 8.290 nan 0.000 0.522 28 E N 0.871 121.074 120.200 0.006 0.000 2.465 28 E HA 0.341 4.691 4.350 -0.000 0.000 0.260 28 E C 0.327 176.964 176.600 0.061 0.000 0.980 28 E CA -0.213 56.211 56.400 0.040 0.000 0.927 28 E CB 0.538 30.270 29.700 0.053 0.000 0.934 28 E HN 0.187 nan 8.360 nan 0.000 0.459 29 V N 5.508 125.459 119.914 0.063 0.000 2.509 29 V HA 0.339 4.459 4.120 -0.000 0.000 0.284 29 V C 0.175 176.329 176.094 0.100 0.000 1.047 29 V CA -0.317 61.999 62.300 0.027 0.000 0.952 29 V CB 1.340 33.139 31.823 -0.040 0.000 0.988 29 V HN 0.557 nan 8.190 nan 0.000 0.469 30 V N 3.646 123.611 119.914 0.085 0.000 3.181 30 V HA 0.931 5.051 4.120 -0.000 0.000 0.308 30 V C -0.601 175.596 176.094 0.173 0.000 1.214 30 V CA -0.400 62.005 62.300 0.176 0.000 1.053 30 V CB 2.582 34.518 31.823 0.188 0.000 1.069 30 V HN 1.032 nan 8.190 nan 0.000 0.441 31 A N 4.127 127.113 122.820 0.277 0.000 2.287 31 A HA 0.812 5.132 4.320 -0.000 0.000 0.317 31 A C -1.105 176.642 177.584 0.271 0.000 1.220 31 A CA -0.499 51.721 52.037 0.305 0.000 0.835 31 A CB 0.635 19.847 19.000 0.353 0.000 1.180 31 A HN 0.760 nan 8.150 nan 0.000 0.500 32 L N 2.091 123.446 121.223 0.221 0.000 2.282 32 L HA 0.456 4.796 4.340 -0.000 0.000 0.288 32 L C 0.116 177.172 176.870 0.310 0.000 1.033 32 L CA -0.749 54.220 54.840 0.216 0.000 0.807 32 L CB 1.659 43.801 42.059 0.139 0.000 1.209 32 L HN 0.687 nan 8.230 nan 0.000 0.423 33 K N 4.456 125.050 120.400 0.324 0.000 2.334 33 K HA 0.237 4.557 4.320 -0.000 0.000 0.265 33 K C -0.617 176.073 176.600 0.150 0.000 1.039 33 K CA -0.419 56.026 56.287 0.264 0.000 0.920 33 K CB 0.783 33.526 32.500 0.404 0.000 1.160 33 K HN 0.342 nan 8.250 nan 0.000 0.451 34 K N 5.296 125.748 120.400 0.085 0.000 2.183 34 K HA 0.354 4.674 4.320 -0.000 0.000 0.274 34 K C -0.816 175.693 176.600 -0.152 0.000 1.009 34 K CA -0.530 55.632 56.287 -0.210 0.000 0.888 34 K CB 0.693 33.084 32.500 -0.181 0.000 1.078 34 K HN 0.605 nan 8.250 nan 0.000 0.459 35 I N 4.504 124.936 120.570 -0.231 0.000 2.404 35 I HA 0.202 4.372 4.170 -0.000 0.000 0.293 35 I C 1.645 177.693 176.117 -0.114 0.000 0.992 35 I CA -0.509 60.722 61.300 -0.114 0.000 1.149 35 I CB 1.754 39.714 38.000 -0.066 0.000 1.315 35 I HN 0.917 nan 8.210 nan 0.000 0.446 36 R N 4.488 124.952 120.500 -0.060 0.000 2.196 36 R HA -0.238 4.102 4.340 -0.000 0.000 0.234 36 R C 1.735 178.014 176.300 -0.036 0.000 1.113 36 R CA 2.621 58.697 56.100 -0.039 0.000 0.899 36 R CB -1.262 29.028 30.300 -0.016 0.000 0.863 36 R HN 0.825 nan 8.270 nan 0.000 0.430 37 L N -1.185 120.026 121.223 -0.021 0.000 3.412 37 L HA -0.434 3.906 4.340 -0.000 0.000 0.253 37 L C 1.827 178.698 176.870 0.001 0.000 4.367 37 L CA 3.647 58.483 54.840 -0.007 0.000 0.793 37 L CB -1.800 40.254 42.059 -0.009 0.000 3.488 37 L HN 0.832 nan 8.230 nan 0.000 0.786 38 D N -0.169 120.231 120.400 -0.001 0.000 2.239 38 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 38 D C 1.009 177.312 176.300 0.006 0.000 0.993 38 D CA 1.973 55.976 54.000 0.005 0.000 0.874 38 D CB -0.538 40.266 40.800 0.005 0.000 0.922 38 D HN 0.799 nan 8.370 nan 0.000 0.464 39 T N -5.016 109.540 114.554 0.003 0.000 2.891 39 T HA 0.478 4.828 4.350 -0.000 0.000 0.294 39 T C 1.369 176.073 174.700 0.006 0.000 1.065 39 T CA 1.381 63.484 62.100 0.005 0.000 0.936 39 T CB 1.067 69.937 68.868 0.003 0.000 1.415 39 T HN 0.361 nan 8.240 nan 0.000 0.572 40 E N -1.204 119.000 120.200 0.006 0.000 4.976 40 E HA -0.360 3.990 4.350 -0.000 0.000 0.222 40 E C 1.393 177.998 176.600 0.009 0.000 0.944 40 E CA 2.924 59.328 56.400 0.008 0.000 1.778 40 E CB -3.126 26.579 29.700 0.009 0.000 1.790 40 E HN 2.647 nan 8.360 nan 0.000 0.404 41 T N -2.790 111.769 114.554 0.009 0.000 3.978 41 T HA -0.257 4.093 4.350 -0.000 0.000 0.339 41 T C 0.351 175.058 174.700 0.012 0.000 0.764 41 T CA 1.802 63.909 62.100 0.010 0.000 1.874 41 T CB -1.472 67.401 68.868 0.009 0.000 1.901 41 T HN 1.128 nan 8.240 nan 0.000 0.814 42 E N 0.708 120.916 120.200 0.013 0.000 2.869 42 E HA 0.454 4.804 4.350 -0.000 0.000 0.207 42 E C 1.471 178.081 176.600 0.016 0.000 0.986 42 E CA 0.290 56.699 56.400 0.014 0.000 1.131 42 E CB 0.436 30.144 29.700 0.014 0.000 1.098 42 E HN 0.908 nan 8.360 nan 0.000 0.459 43 G N 0.763 109.573 108.800 0.017 0.000 2.578 43 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.275 43 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.275 43 G C 0.196 175.108 174.900 0.020 0.000 1.271 43 G CA -0.104 45.008 45.100 0.021 0.000 0.941 43 G HN 0.145 nan 8.290 nan 0.000 0.564 44 V N 3.004 122.931 119.914 0.022 0.000 2.572 44 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 44 V C -1.063 175.041 176.094 0.018 0.000 1.039 44 V CA -0.321 61.989 62.300 0.018 0.000 1.055 44 V CB 0.790 32.620 31.823 0.013 0.000 0.969 44 V HN 0.678 nan 8.190 nan 0.000 0.482 45 P HA 0.135 nan 4.420 nan 0.000 0.269 45 P C 0.752 178.070 177.300 0.030 0.000 1.217 45 P CA 0.039 63.154 63.100 0.024 0.000 0.783 45 P CB 0.511 32.224 31.700 0.022 0.000 0.898 46 S N 0.042 115.766 115.700 0.040 0.000 2.362 46 S HA -0.117 4.353 4.470 -0.000 0.000 0.221 46 S C 1.803 176.436 174.600 0.055 0.000 1.032 46 S CA 1.765 59.995 58.200 0.049 0.000 0.973 46 S CB -1.129 62.109 63.200 0.064 0.000 0.849 46 S HN 0.716 nan 8.310 nan 0.000 0.465 47 T N 1.640 116.228 114.554 0.056 0.000 2.803 47 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 47 T C 1.870 176.606 174.700 0.059 0.000 1.052 47 T CA 1.170 63.303 62.100 0.055 0.000 1.136 47 T CB -0.511 68.382 68.868 0.041 0.000 0.864 47 T HN 0.369 nan 8.240 nan 0.000 0.467 48 A N 1.362 124.211 122.820 0.049 0.000 1.897 48 A HA 0.224 4.544 4.320 -0.000 0.000 0.215 48 A C 2.379 179.983 177.584 0.033 0.000 1.181 48 A CA 0.909 52.973 52.037 0.046 0.000 0.620 48 A CB -0.711 18.306 19.000 0.028 0.000 0.821 48 A HN 0.525 nan 8.150 nan 0.000 0.443 49 I N -0.776 119.809 120.570 0.026 0.000 2.226 49 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 49 I C 2.797 178.931 176.117 0.030 0.000 1.100 49 I CA 1.302 62.611 61.300 0.016 0.000 1.374 49 I CB -0.243 37.768 38.000 0.018 0.000 1.057 49 I HN 0.295 nan 8.210 nan 0.000 0.413 50 R N 0.137 120.668 120.500 0.051 0.000 2.093 50 R HA -0.138 4.202 4.340 -0.000 0.000 0.224 50 R C 2.194 178.545 176.300 0.085 0.000 1.101 50 R CA 1.087 57.227 56.100 0.068 0.000 0.979 50 R CB -0.230 30.118 30.300 0.081 0.000 0.877 50 R HN 0.396 nan 8.270 nan 0.000 0.441 51 E N 1.229 121.488 120.200 0.098 0.000 2.047 51 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 51 E C 1.909 178.562 176.600 0.088 0.000 0.987 51 E CA 1.027 57.511 56.400 0.140 0.000 0.799 51 E CB 0.029 29.837 29.700 0.181 0.000 0.752 51 E HN 0.230 nan 8.360 nan 0.000 0.449 52 I N 0.393 120.990 120.570 0.046 0.000 2.113 52 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 52 I C 2.754 178.858 176.117 -0.022 0.000 1.070 52 I CA 1.183 62.474 61.300 -0.016 0.000 1.332 52 I CB -0.485 37.488 38.000 -0.046 0.000 1.044 52 I HN 0.165 nan 8.210 nan 0.000 0.402 53 S N 1.085 116.782 115.700 -0.005 0.000 2.353 53 S HA -0.169 4.301 4.470 -0.000 0.000 0.222 53 S C 2.058 176.663 174.600 0.008 0.000 1.035 53 S CA 1.574 59.773 58.200 -0.001 0.000 1.025 53 S CB -0.387 62.819 63.200 0.011 0.000 0.902 53 S HN 0.316 nan 8.310 nan 0.000 0.440 54 L N 0.449 121.692 121.223 0.032 0.000 2.109 54 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 54 L C 2.407 179.267 176.870 -0.017 0.000 1.086 54 L CA 0.456 55.323 54.840 0.044 0.000 0.760 54 L CB -0.442 41.686 42.059 0.115 0.000 0.910 54 L HN 0.312 nan 8.230 nan 0.000 0.437 55 L N 0.183 121.363 121.223 -0.072 0.000 2.141 55 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 55 L C 2.369 179.170 176.870 -0.116 0.000 1.094 55 L CA 1.637 56.368 54.840 -0.182 0.000 0.763 55 L CB -0.629 41.331 42.059 -0.165 0.000 0.908 55 L HN 0.140 nan 8.230 nan 0.000 0.437 56 K N -0.652 119.706 120.400 -0.071 0.000 2.360 56 K HA -0.151 4.169 4.320 -0.000 0.000 0.201 56 K C 1.590 178.173 176.600 -0.028 0.000 1.046 56 K CA 1.111 57.365 56.287 -0.055 0.000 0.945 56 K CB 0.016 32.489 32.500 -0.045 0.000 0.750 56 K HN 0.482 nan 8.250 nan 0.000 0.464 57 E N 0.209 120.403 120.200 -0.011 0.000 2.340 57 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 57 E C -0.028 176.602 176.600 0.050 0.000 0.996 57 E CA 0.078 56.498 56.400 0.032 0.000 0.869 57 E CB 0.375 30.108 29.700 0.056 0.000 0.835 57 E HN 0.162 nan 8.360 nan 0.000 0.493 58 L N 2.414 123.638 121.223 0.000 0.000 2.315 58 L HA 0.276 4.616 4.340 -0.000 0.000 0.278 58 L C -0.347 176.446 176.870 -0.128 0.000 1.088 58 L CA -0.508 54.343 54.840 0.019 0.000 0.899 58 L CB 0.161 42.191 42.059 -0.049 0.000 1.277 58 L HN -0.080 nan 8.230 nan 0.000 0.431 59 N N 2.062 120.671 118.700 -0.152 0.000 2.546 59 N HA 0.295 5.035 4.740 -0.000 0.000 0.238 59 N C -1.035 174.183 175.510 -0.486 0.000 0.984 59 N CA -0.315 52.596 53.050 -0.233 0.000 0.935 59 N CB 0.447 38.868 38.487 -0.110 0.000 1.122 59 N HN 0.459 nan 8.380 nan 0.000 0.510 60 H N 2.016 120.716 119.070 -0.617 0.000 2.930 60 H HA 0.401 4.957 4.556 -0.000 0.000 0.371 60 H C -1.954 173.154 175.328 -0.367 0.000 1.169 60 H CA -1.671 53.963 56.048 -0.689 0.000 1.157 60 H CB 2.127 31.265 29.762 -1.040 0.000 1.789 60 H HN 0.295 nan 8.280 nan 0.000 0.547 61 P HA -0.070 nan 4.420 nan 0.000 0.225 61 P C -0.337 176.852 177.300 -0.186 0.000 1.148 61 P CA 1.068 63.932 63.100 -0.394 0.000 0.779 61 P CB 0.334 31.784 31.700 -0.417 0.000 0.780 62 N N -0.514 118.202 118.700 0.027 0.000 2.275 62 N HA 0.264 5.004 4.740 -0.000 0.000 0.236 62 N C -0.162 175.366 175.510 0.031 0.000 1.154 62 N CA -0.149 52.944 53.050 0.072 0.000 0.866 62 N CB 0.320 38.880 38.487 0.122 0.000 1.093 62 N HN 0.138 nan 8.380 nan 0.000 0.515 63 I N 1.234 121.799 120.570 -0.008 0.000 2.512 63 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 63 I C 0.067 176.146 176.117 -0.063 0.000 1.069 63 I CA -1.380 59.908 61.300 -0.019 0.000 1.056 63 I CB 1.929 39.880 38.000 -0.082 0.000 1.229 63 I HN -0.179 nan 8.210 nan 0.000 0.429 64 V N 3.220 123.114 119.914 -0.033 0.000 2.644 64 V HA 0.121 4.241 4.120 -0.000 0.000 0.305 64 V C 0.281 176.381 176.094 0.011 0.000 1.053 64 V CA -0.194 62.091 62.300 -0.024 0.000 1.186 64 V CB -0.172 31.631 31.823 -0.034 0.000 0.895 64 V HN 0.688 nan 8.190 nan 0.000 0.490 65 K N 3.851 124.270 120.400 0.032 0.000 2.218 65 K HA 0.513 4.833 4.320 -0.000 0.000 0.276 65 K C -0.537 176.127 176.600 0.107 0.000 1.022 65 K CA -0.737 55.564 56.287 0.024 0.000 0.946 65 K CB 1.515 34.004 32.500 -0.019 0.000 1.000 65 K HN 0.712 nan 8.250 nan 0.000 0.468 66 L N 4.788 126.001 121.223 -0.018 0.000 2.260 66 L HA 0.149 4.489 4.340 -0.000 0.000 0.289 66 L C 0.323 177.085 176.870 -0.180 0.000 1.057 66 L CA 0.341 55.037 54.840 -0.239 0.000 0.811 66 L CB 0.454 42.336 42.059 -0.296 0.000 1.184 66 L HN 0.708 nan 8.230 nan 0.000 0.429 67 L N 2.912 124.029 121.223 -0.177 0.000 2.249 67 L HA 0.303 4.643 4.340 -0.000 0.000 0.207 67 L C 0.119 176.940 176.870 -0.082 0.000 1.090 67 L CA 0.435 55.225 54.840 -0.082 0.000 0.802 67 L CB -0.053 41.998 42.059 -0.013 0.000 0.947 67 L HN 0.700 nan 8.230 nan 0.000 0.453 68 D N -2.490 117.825 120.400 -0.141 0.000 2.694 68 D HA 0.370 5.010 4.640 -0.000 0.000 0.260 68 D C -1.583 174.639 176.300 -0.131 0.000 1.250 68 D CA -0.282 53.666 54.000 -0.088 0.000 0.763 68 D CB 2.112 42.910 40.800 -0.003 0.000 1.311 68 D HN -0.326 nan 8.370 nan 0.000 0.420 69 V N 2.270 122.145 119.914 -0.064 0.000 2.482 69 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 69 V C -0.302 175.831 176.094 0.064 0.000 1.026 69 V CA -0.556 61.717 62.300 -0.045 0.000 0.856 69 V CB 1.489 33.263 31.823 -0.082 0.000 1.001 69 V HN 0.487 nan 8.190 nan 0.000 0.424 70 I N 6.454 127.087 120.570 0.105 0.000 2.371 70 I HA 0.393 4.563 4.170 -0.000 0.000 0.282 70 I C -0.302 175.965 176.117 0.251 0.000 1.031 70 I CA -0.439 60.960 61.300 0.165 0.000 1.180 70 I CB 0.666 38.727 38.000 0.102 0.000 1.336 70 I HN 0.741 nan 8.210 nan 0.000 0.467 71 H N 4.338 123.445 119.070 0.063 0.000 2.472 71 H HA 0.767 5.323 4.556 -0.000 0.000 0.338 71 H C -0.517 174.846 175.328 0.059 0.000 1.133 71 H CA -0.678 55.408 56.048 0.063 0.000 1.216 71 H CB 1.758 31.541 29.762 0.034 0.000 1.497 71 H HN 0.567 nan 8.280 nan 0.000 0.500 72 T N 0.149 114.717 114.554 0.025 0.000 2.565 72 T HA 0.220 4.570 4.350 -0.000 0.000 0.253 72 T C 0.778 175.473 174.700 -0.007 0.000 0.868 72 T CA -0.289 61.781 62.100 -0.050 0.000 1.213 72 T CB 0.700 69.574 68.868 0.011 0.000 1.518 72 T HN 0.469 nan 8.240 nan 0.000 0.474 73 E N 2.077 122.279 120.200 0.003 0.000 1.963 73 E HA -0.169 4.181 4.350 -0.000 0.000 0.215 73 E C 1.599 178.215 176.600 0.027 0.000 0.993 73 E CA 2.052 58.459 56.400 0.012 0.000 0.880 73 E CB -0.460 29.249 29.700 0.015 0.000 0.811 73 E HN 0.843 nan 8.360 nan 0.000 0.539 74 N N -0.046 118.673 118.700 0.032 0.000 2.236 74 N HA 0.075 4.815 4.740 -0.000 0.000 0.196 74 N C -0.414 175.109 175.510 0.022 0.000 1.114 74 N CA -0.113 52.953 53.050 0.026 0.000 0.859 74 N CB 0.417 38.917 38.487 0.021 0.000 0.982 74 N HN -0.062 nan 8.380 nan 0.000 0.493 75 K N 1.231 121.660 120.400 0.049 0.000 2.324 75 K HA 0.405 4.725 4.320 -0.000 0.000 0.253 75 K C -1.581 175.060 176.600 0.069 0.000 0.932 75 K CA -0.616 55.689 56.287 0.029 0.000 0.799 75 K CB 2.892 35.489 32.500 0.162 0.000 1.154 75 K HN 0.031 nan 8.250 nan 0.000 0.425 76 L N 4.357 125.548 121.223 -0.054 0.000 2.372 76 L HA 0.458 4.798 4.340 -0.000 0.000 0.274 76 L C -1.766 175.054 176.870 -0.083 0.000 0.988 76 L CA -0.801 54.061 54.840 0.036 0.000 0.833 76 L CB 0.796 42.872 42.059 0.028 0.000 1.236 76 L HN 0.646 nan 8.230 nan 0.000 0.410 77 Y N 4.639 124.948 120.300 0.015 0.000 2.393 77 Y HA 0.483 5.033 4.550 -0.000 0.000 0.341 77 Y C -0.144 175.718 175.900 -0.063 0.000 0.988 77 Y CA -0.699 57.388 58.100 -0.021 0.000 1.078 77 Y CB 2.085 40.503 38.460 -0.071 0.000 1.203 77 Y HN 0.335 nan 8.280 nan 0.000 0.453 78 L N 4.556 125.826 121.223 0.079 0.000 2.282 78 L HA 0.537 4.877 4.340 -0.000 0.000 0.288 78 L C -0.839 175.920 176.870 -0.185 0.000 1.033 78 L CA -1.076 53.689 54.840 -0.125 0.000 0.807 78 L CB 1.218 43.214 42.059 -0.105 0.000 1.209 78 L HN 0.335 nan 8.230 nan 0.000 0.423 79 V N 3.862 123.578 119.914 -0.331 0.000 2.350 79 V HA 0.411 4.531 4.120 -0.000 0.000 0.276 79 V C -0.273 175.638 176.094 -0.305 0.000 1.028 79 V CA -0.274 61.882 62.300 -0.240 0.000 0.860 79 V CB 0.894 32.592 31.823 -0.208 0.000 0.990 79 V HN 0.391 nan 8.190 nan 0.000 0.453 80 F N 2.088 122.042 119.950 0.008 0.000 2.538 80 F HA 0.488 5.015 4.527 -0.000 0.000 0.325 80 F C 0.680 176.513 175.800 0.056 0.000 1.066 80 F CA -1.030 56.983 58.000 0.023 0.000 0.946 80 F CB 1.454 40.470 39.000 0.026 0.000 1.199 80 F HN 0.640 nan 8.300 nan 0.000 0.473 81 E N 1.433 121.790 120.200 0.263 0.000 2.415 81 E HA 0.135 4.485 4.350 -0.000 0.000 0.262 81 E C -1.421 175.300 176.600 0.203 0.000 1.038 81 E CA -0.266 56.240 56.400 0.177 0.000 0.921 81 E CB 0.891 30.643 29.700 0.086 0.000 0.950 81 E HN 0.490 nan 8.360 nan 0.000 0.438 82 F N 2.842 122.816 119.950 0.040 0.000 2.458 82 F HA 0.536 5.063 4.527 -0.000 0.000 0.330 82 F C -1.543 174.223 175.800 -0.058 0.000 1.082 82 F CA -1.009 56.999 58.000 0.014 0.000 0.995 82 F CB 1.054 40.084 39.000 0.051 0.000 1.170 82 F HN 0.418 nan 8.300 nan 0.000 0.478 83 L N 5.414 125.904 121.223 -1.220 0.000 2.401 83 L HA 0.357 4.697 4.340 -0.000 0.000 0.266 83 L C 0.856 176.974 176.870 -1.253 0.000 0.991 83 L CA -0.651 53.567 54.840 -1.037 0.000 0.818 83 L CB 1.739 43.426 42.059 -0.621 0.000 1.321 83 L HN 0.630 nan 8.230 nan 0.000 0.413 84 H N 0.713 119.466 119.070 -0.530 0.000 2.292 84 H HA -0.161 4.395 4.556 -0.000 0.000 0.292 84 H C 0.192 175.404 175.328 -0.193 0.000 1.100 84 H CA 1.734 57.648 56.048 -0.223 0.000 1.238 84 H CB -0.188 29.527 29.762 -0.078 0.000 1.355 84 H HN 0.665 nan 8.280 nan 0.000 0.484 85 Q N 0.607 120.342 119.800 -0.108 0.000 2.648 85 Q HA 0.341 4.681 4.340 -0.000 0.000 0.300 85 Q C -1.569 174.357 176.000 -0.123 0.000 0.954 85 Q CA -0.984 54.773 55.803 -0.077 0.000 0.757 85 Q CB 2.115 30.865 28.738 0.020 0.000 1.482 85 Q HN 0.180 nan 8.270 nan 0.000 0.437 86 D N 0.016 120.374 120.400 -0.070 0.000 2.387 86 D HA 0.188 4.828 4.640 -0.000 0.000 0.255 86 D C 0.499 176.797 176.300 -0.003 0.000 1.081 86 D CA -0.828 53.127 54.000 -0.076 0.000 0.994 86 D CB 0.933 41.690 40.800 -0.071 0.000 1.127 86 D HN 0.495 nan 8.370 nan 0.000 0.513 87 L N 0.087 121.303 121.223 -0.013 0.000 2.217 87 L HA 0.034 4.374 4.340 -0.000 0.000 0.211 87 L C 2.038 178.988 176.870 0.134 0.000 1.107 87 L CA 1.626 56.523 54.840 0.094 0.000 0.783 87 L CB -0.715 41.361 42.059 0.028 0.000 0.919 87 L HN 0.610 nan 8.230 nan 0.000 0.442 88 K N -0.473 119.965 120.400 0.063 0.000 2.026 88 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 88 K C 2.287 178.936 176.600 0.081 0.000 1.048 88 K CA 1.572 57.897 56.287 0.063 0.000 0.929 88 K CB -0.085 32.432 32.500 0.028 0.000 0.713 88 K HN 0.223 nan 8.250 nan 0.000 0.439 89 K N -0.282 120.171 120.400 0.088 0.000 2.057 89 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 89 K C 2.085 178.781 176.600 0.160 0.000 1.049 89 K CA 1.411 57.758 56.287 0.101 0.000 0.931 89 K CB -0.228 32.327 32.500 0.091 0.000 0.714 89 K HN 0.093 nan 8.250 nan 0.000 0.440 90 F N 1.712 121.684 119.950 0.038 0.000 2.102 90 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 90 F C 1.991 177.834 175.800 0.071 0.000 1.105 90 F CA 1.594 59.633 58.000 0.064 0.000 1.239 90 F CB -0.323 38.732 39.000 0.091 0.000 0.991 90 F HN -0.010 nan 8.300 nan 0.000 0.474 91 M N -0.223 119.364 119.600 -0.022 0.000 2.202 91 M HA -0.234 4.246 4.480 -0.000 0.000 0.262 91 M C 1.762 177.990 176.300 -0.120 0.000 1.063 91 M CA 1.694 56.916 55.300 -0.130 0.000 1.097 91 M CB -0.618 31.987 32.600 0.007 0.000 1.382 91 M HN 0.072 nan 8.290 nan 0.000 0.413 92 D N 0.549 120.923 120.400 -0.042 0.000 2.097 92 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 92 D C 2.084 178.357 176.300 -0.045 0.000 0.984 92 D CA 1.661 55.647 54.000 -0.023 0.000 0.826 92 D CB -0.149 40.661 40.800 0.016 0.000 0.973 92 D HN 0.329 nan 8.370 nan 0.000 0.460 93 A N 0.644 123.440 122.820 -0.041 0.000 1.908 93 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 93 A C 2.308 179.836 177.584 -0.093 0.000 1.181 93 A CA 1.663 53.685 52.037 -0.024 0.000 0.627 93 A CB -0.488 18.543 19.000 0.052 0.000 0.818 93 A HN 0.148 nan 8.150 nan 0.000 0.445 94 S N -0.127 115.430 115.700 -0.238 0.000 2.603 94 S HA 0.208 4.678 4.470 -0.000 0.000 0.229 94 S C 1.974 176.481 174.600 -0.155 0.000 0.972 94 S CA 0.578 58.618 58.200 -0.267 0.000 0.935 94 S CB -0.355 62.531 63.200 -0.525 0.000 0.769 94 S HN 0.772 nan 8.310 nan 0.000 0.536 95 A N 1.937 124.692 122.820 -0.108 0.000 1.896 95 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 95 A C 2.069 179.617 177.584 -0.061 0.000 1.206 95 A CA 1.763 53.757 52.037 -0.072 0.000 0.647 95 A CB -0.825 18.148 19.000 -0.045 0.000 0.828 95 A HN 0.472 nan 8.150 nan 0.000 0.455 96 L N -1.263 119.930 121.223 -0.051 0.000 1.988 96 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 96 L C 2.712 179.555 176.870 -0.046 0.000 1.071 96 L CA 2.895 57.710 54.840 -0.041 0.000 0.744 96 L CB -0.882 41.159 42.059 -0.031 0.000 0.893 96 L HN 0.430 nan 8.230 nan 0.000 0.433 97 T N -1.176 113.348 114.554 -0.050 0.000 2.978 97 T HA 0.307 4.657 4.350 -0.000 0.000 0.262 97 T C 0.838 175.504 174.700 -0.057 0.000 1.063 97 T CA 0.860 62.931 62.100 -0.048 0.000 1.140 97 T CB -0.609 68.233 68.868 -0.043 0.000 0.886 97 T HN 0.820 nan 8.240 nan 0.000 0.470 98 G N 0.615 109.365 108.800 -0.083 0.000 2.733 98 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 98 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 98 G C -0.599 174.246 174.900 -0.092 0.000 1.373 98 G CA -0.450 44.595 45.100 -0.092 0.000 0.838 98 G HN 0.593 nan 8.290 nan 0.000 0.588 99 I N 2.160 122.675 120.570 -0.091 0.000 2.395 99 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 99 I C -1.628 174.493 176.117 0.007 0.000 1.023 99 I CA -1.801 59.477 61.300 -0.037 0.000 1.350 99 I CB 1.283 39.286 38.000 0.005 0.000 1.409 99 I HN 0.243 nan 8.210 nan 0.000 0.507 100 P HA 0.074 nan 4.420 nan 0.000 0.269 100 P C 0.834 178.147 177.300 0.022 0.000 1.209 100 P CA -0.213 62.895 63.100 0.013 0.000 0.776 100 P CB 0.651 32.356 31.700 0.009 0.000 0.876 101 L N 3.575 124.817 121.223 0.031 0.000 2.131 101 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 101 L C -0.704 176.188 176.870 0.036 0.000 1.092 101 L CA 1.833 56.712 54.840 0.066 0.000 0.759 101 L CB -1.773 40.331 42.059 0.074 0.000 0.903 101 L HN 0.419 nan 8.230 nan 0.000 0.435 102 P HA -0.157 nan 4.420 nan 0.000 0.221 102 P C 1.705 178.968 177.300 -0.061 0.000 1.150 102 P CA 0.962 64.033 63.100 -0.048 0.000 0.800 102 P CB 0.151 31.822 31.700 -0.048 0.000 0.787 103 L N -1.058 120.116 121.223 -0.082 0.000 2.162 103 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 103 L C 2.059 178.797 176.870 -0.221 0.000 1.086 103 L CA 1.381 56.087 54.840 -0.224 0.000 0.778 103 L CB -0.863 41.040 42.059 -0.259 0.000 0.928 103 L HN -0.154 nan 8.230 nan 0.000 0.446 104 I N -0.392 120.169 120.570 -0.015 0.000 2.226 104 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 104 I C 2.494 178.743 176.117 0.220 0.000 1.100 104 I CA 1.538 62.931 61.300 0.155 0.000 1.374 104 I CB -0.441 37.707 38.000 0.247 0.000 1.057 104 I HN 0.308 nan 8.210 nan 0.000 0.413 105 K N 0.763 121.265 120.400 0.170 0.000 2.026 105 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 105 K C 2.408 179.159 176.600 0.251 0.000 1.048 105 K CA 1.836 58.226 56.287 0.171 0.000 0.929 105 K CB -0.140 32.281 32.500 -0.132 0.000 0.713 105 K HN 0.090 nan 8.250 nan 0.000 0.439 106 S N -0.493 115.280 115.700 0.121 0.000 2.365 106 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 106 S C 1.965 176.769 174.600 0.341 0.000 1.039 106 S CA 1.226 59.527 58.200 0.169 0.000 1.033 106 S CB -0.419 62.811 63.200 0.049 0.000 0.887 106 S HN 0.392 nan 8.310 nan 0.000 0.447 107 Y N 1.019 121.405 120.300 0.142 0.000 2.145 107 Y HA -0.017 4.533 4.550 -0.000 0.000 0.286 107 Y C 2.355 178.317 175.900 0.105 0.000 1.145 107 Y CA 0.664 58.826 58.100 0.104 0.000 1.148 107 Y CB -1.362 37.161 38.460 0.104 0.000 0.981 107 Y HN 0.298 nan 8.280 nan 0.000 0.507 108 L N -0.597 120.819 121.223 0.322 0.000 2.012 108 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 108 L C 2.337 179.328 176.870 0.203 0.000 1.073 108 L CA 1.508 56.473 54.840 0.208 0.000 0.748 108 L CB -1.267 40.862 42.059 0.117 0.000 0.891 108 L HN 0.169 nan 8.230 nan 0.000 0.431 109 F N 0.049 120.033 119.950 0.057 0.000 2.043 109 F HA -0.379 4.148 4.527 -0.000 0.000 0.297 109 F C 2.558 178.237 175.800 -0.201 0.000 1.121 109 F CA 2.156 59.943 58.000 -0.355 0.000 1.199 109 F CB -0.112 38.699 39.000 -0.314 0.000 0.968 109 F HN 0.211 nan 8.300 nan 0.000 0.478 110 Q N 0.227 120.018 119.800 -0.015 0.000 2.124 110 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 110 Q C 2.295 178.216 176.000 -0.131 0.000 0.977 110 Q CA 1.838 57.580 55.803 -0.101 0.000 0.850 110 Q CB -0.295 28.459 28.738 0.026 0.000 0.901 110 Q HN 0.522 nan 8.270 nan 0.000 0.429 111 L N 0.253 121.426 121.223 -0.085 0.000 2.017 111 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 111 L C 2.314 179.097 176.870 -0.144 0.000 1.073 111 L CA 1.067 55.842 54.840 -0.108 0.000 0.745 111 L CB -0.443 41.571 42.059 -0.075 0.000 0.894 111 L HN 0.285 nan 8.230 nan 0.000 0.432 112 L N -0.772 120.357 121.223 -0.157 0.000 2.131 112 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 112 L C 2.694 179.425 176.870 -0.232 0.000 1.092 112 L CA 1.224 55.962 54.840 -0.169 0.000 0.759 112 L CB -0.365 41.597 42.059 -0.161 0.000 0.903 112 L HN 0.380 nan 8.230 nan 0.000 0.435 113 Q N -0.764 118.844 119.800 -0.319 0.000 2.083 113 Q HA -0.108 4.232 4.340 -0.000 0.000 0.198 113 Q C 2.315 178.117 176.000 -0.330 0.000 0.969 113 Q CA 1.310 56.938 55.803 -0.292 0.000 0.838 113 Q CB -0.298 28.268 28.738 -0.285 0.000 0.900 113 Q HN 0.591 nan 8.270 nan 0.000 0.436 114 G N 1.044 109.669 108.800 -0.292 0.000 2.402 114 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 114 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 114 G C 1.373 176.146 174.900 -0.211 0.000 1.162 114 G CA 0.487 45.381 45.100 -0.344 0.000 0.777 114 G HN 0.223 nan 8.290 nan 0.000 0.539 115 L N 1.386 122.491 121.223 -0.196 0.000 2.093 115 L HA 0.202 4.542 4.340 -0.000 0.000 0.208 115 L C 3.006 179.690 176.870 -0.310 0.000 1.085 115 L CA 1.998 56.676 54.840 -0.270 0.000 0.755 115 L CB -0.656 41.242 42.059 -0.268 0.000 0.904 115 L HN 0.224 nan 8.230 nan 0.000 0.435 116 A N -1.356 121.365 122.820 -0.164 0.000 2.019 116 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 116 A C 2.237 179.829 177.584 0.013 0.000 1.164 116 A CA 1.700 53.711 52.037 -0.045 0.000 0.644 116 A CB -1.042 17.935 19.000 -0.039 0.000 0.805 116 A HN 0.538 nan 8.150 nan 0.000 0.449 117 F N -0.236 119.599 119.950 -0.192 0.000 2.163 117 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 117 F C 2.475 178.288 175.800 0.021 0.000 1.094 117 F CA 1.521 59.442 58.000 -0.131 0.000 1.290 117 F CB -0.352 38.372 39.000 -0.459 0.000 1.017 117 F HN 0.292 nan 8.300 nan 0.000 0.483 118 C N 0.121 119.522 119.300 0.168 0.000 2.413 118 C HA -0.230 4.230 4.460 -0.000 0.000 0.277 118 C C 2.675 177.837 174.990 0.287 0.000 1.228 118 C CA 1.748 60.897 59.018 0.218 0.000 1.731 118 C CB -1.661 26.182 27.740 0.171 0.000 2.042 118 C HN 0.540 nan 8.230 nan 0.000 0.468 119 H N 0.627 119.830 119.070 0.221 0.000 2.352 119 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 119 H C 2.342 177.768 175.328 0.164 0.000 1.097 119 H CA 1.554 57.771 56.048 0.282 0.000 1.311 119 H CB -0.145 29.745 29.762 0.215 0.000 1.377 119 H HN 0.589 nan 8.280 nan 0.000 0.504 120 S N 0.121 115.925 115.700 0.172 0.000 2.607 120 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 120 S C 0.572 175.000 174.600 -0.288 0.000 0.969 120 S CA 0.570 58.744 58.200 -0.044 0.000 0.927 120 S CB -0.147 62.992 63.200 -0.102 0.000 0.772 120 S HN 0.470 nan 8.310 nan 0.000 0.533 121 H N 1.426 120.391 119.070 -0.176 0.000 2.510 121 H HA 0.359 4.915 4.556 -0.000 0.000 0.266 121 H C 0.287 175.498 175.328 -0.195 0.000 1.146 121 H CA -0.256 55.670 56.048 -0.203 0.000 0.993 121 H CB 0.228 29.857 29.762 -0.223 0.000 1.727 121 H HN 0.497 nan 8.280 nan 0.000 0.590 122 R N -1.263 119.071 120.500 -0.278 0.000 3.405 122 R HA -0.148 4.192 4.340 -0.000 0.000 0.258 122 R C -1.463 174.580 176.300 -0.428 0.000 1.030 122 R CA 0.634 56.200 56.100 -0.890 0.000 0.691 122 R CB -3.144 26.625 30.300 -0.884 0.000 1.093 122 R HN 0.089 nan 8.270 nan 0.000 0.448 123 V N 1.211 121.235 119.914 0.182 0.000 2.487 123 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 123 V C 0.430 176.882 176.094 0.597 0.000 1.028 123 V CA -0.852 61.675 62.300 0.378 0.000 0.860 123 V CB 1.862 33.877 31.823 0.319 0.000 0.991 123 V HN 0.296 nan 8.190 nan 0.000 0.427 124 L N 4.008 125.529 121.223 0.497 0.000 2.295 124 L HA 0.473 4.813 4.340 -0.000 0.000 0.285 124 L C 1.327 178.278 176.870 0.135 0.000 1.035 124 L CA -0.609 54.423 54.840 0.320 0.000 0.806 124 L CB 1.385 43.512 42.059 0.113 0.000 1.214 124 L HN 0.775 nan 8.230 nan 0.000 0.426 125 H N 4.580 123.640 119.070 -0.017 0.000 2.317 125 H HA 0.020 4.576 4.556 -0.000 0.000 0.304 125 H C 0.865 176.053 175.328 -0.234 0.000 1.067 125 H CA 1.553 57.439 56.048 -0.269 0.000 1.352 125 H CB 0.574 30.103 29.762 -0.389 0.000 1.398 125 H HN 0.620 nan 8.280 nan 0.000 0.510 126 R N -0.646 119.863 120.500 0.015 0.000 3.884 126 R HA -0.184 4.156 4.340 -0.000 0.000 0.464 126 R C -0.387 175.903 176.300 -0.018 0.000 0.963 126 R CA 1.315 57.354 56.100 -0.101 0.000 1.408 126 R CB -1.615 28.488 30.300 -0.329 0.000 2.054 126 R HN 0.363 nan 8.270 nan 0.000 0.522 127 D N 0.464 120.986 120.400 0.204 0.000 2.908 127 D HA 0.255 4.895 4.640 -0.000 0.000 0.361 127 D C -0.442 175.901 176.300 0.072 0.000 1.416 127 D CA -0.174 53.892 54.000 0.111 0.000 0.796 127 D CB 0.326 41.127 40.800 0.001 0.000 1.185 127 D HN 0.096 nan 8.370 nan 0.000 0.451 128 L N 1.954 123.130 121.223 -0.079 0.000 2.477 128 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 128 L C 0.504 177.183 176.870 -0.319 0.000 1.157 128 L CA 0.515 55.157 54.840 -0.330 0.000 0.889 128 L CB 0.173 42.043 42.059 -0.315 0.000 1.158 128 L HN 0.110 nan 8.230 nan 0.000 0.473 129 K N 2.312 122.475 120.400 -0.396 0.000 2.587 129 K HA 0.399 4.719 4.320 -0.000 0.000 0.276 129 K C -2.822 173.547 176.600 -0.385 0.000 0.956 129 K CA -1.592 54.328 56.287 -0.611 0.000 0.857 129 K CB 1.473 33.729 32.500 -0.406 0.000 1.431 129 K HN -0.103 nan 8.250 nan 0.000 0.420 130 P HA -0.336 nan 4.420 nan 0.000 0.218 130 P C 1.056 178.289 177.300 -0.111 0.000 1.154 130 P CA 1.925 64.934 63.100 -0.151 0.000 0.872 130 P CB 0.087 31.763 31.700 -0.041 0.000 0.790 131 Q N -1.848 117.891 119.800 -0.102 0.000 2.472 131 Q HA -0.037 4.303 4.340 -0.000 0.000 0.208 131 Q C 0.998 176.936 176.000 -0.104 0.000 0.958 131 Q CA 0.886 56.640 55.803 -0.083 0.000 0.932 131 Q CB -0.557 28.143 28.738 -0.063 0.000 1.007 131 Q HN 0.176 nan 8.270 nan 0.000 0.508 132 N N 0.281 118.902 118.700 -0.132 0.000 2.236 132 N HA 0.241 4.981 4.740 -0.000 0.000 0.196 132 N C -0.805 174.612 175.510 -0.156 0.000 1.114 132 N CA 0.172 53.146 53.050 -0.126 0.000 0.859 132 N CB 0.610 39.032 38.487 -0.109 0.000 0.982 132 N HN 0.229 nan 8.380 nan 0.000 0.493 133 L N 1.334 122.454 121.223 -0.172 0.000 2.305 133 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 133 L C -0.381 176.372 176.870 -0.196 0.000 1.013 133 L CA -0.494 54.230 54.840 -0.192 0.000 0.819 133 L CB 1.847 43.781 42.059 -0.208 0.000 1.227 133 L HN -0.262 nan 8.230 nan 0.000 0.417 134 L N 5.028 126.120 121.223 -0.217 0.000 2.331 134 L HA 0.682 5.022 4.340 -0.000 0.000 0.275 134 L C -0.207 176.478 176.870 -0.308 0.000 1.022 134 L CA -0.767 53.922 54.840 -0.250 0.000 0.812 134 L CB 1.892 43.795 42.059 -0.260 0.000 1.257 134 L HN 0.570 nan 8.230 nan 0.000 0.435 135 I N -0.545 119.833 120.570 -0.320 0.000 2.934 135 I HA 0.645 4.815 4.170 -0.000 0.000 0.306 135 I C -1.144 174.780 176.117 -0.323 0.000 1.110 135 I CA -0.779 60.315 61.300 -0.343 0.000 1.019 135 I CB 2.310 40.074 38.000 -0.393 0.000 1.227 135 I HN 0.624 nan 8.210 nan 0.000 0.434 136 N N 0.158 118.697 118.700 -0.268 0.000 2.890 136 N HA 0.385 5.125 4.740 -0.000 0.000 0.317 136 N C 0.398 175.939 175.510 0.051 0.000 1.355 136 N CA -0.188 52.707 53.050 -0.259 0.000 0.803 136 N CB 0.684 38.942 38.487 -0.382 0.000 1.465 136 N HN 0.716 nan 8.380 nan 0.000 0.591 137 T N -4.147 110.564 114.554 0.262 0.000 3.160 137 T HA 0.129 4.479 4.350 -0.000 0.000 0.257 137 T C 0.233 174.967 174.700 0.057 0.000 1.147 137 T CA 0.692 62.858 62.100 0.112 0.000 1.064 137 T CB -0.261 68.639 68.868 0.054 0.000 0.949 137 T HN 0.440 nan 8.240 nan 0.000 0.526 138 E N 0.828 121.059 120.200 0.053 0.000 2.476 138 E HA 0.406 4.756 4.350 -0.000 0.000 0.196 138 E C 1.401 178.022 176.600 0.035 0.000 1.029 138 E CA 0.246 56.667 56.400 0.035 0.000 0.896 138 E CB 0.052 29.769 29.700 0.029 0.000 1.012 138 E HN 0.587 nan 8.360 nan 0.000 0.475 139 G N -0.186 108.646 108.800 0.052 0.000 2.131 139 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.223 139 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.223 139 G C 0.311 175.317 174.900 0.176 0.000 0.990 139 G CA -0.004 45.167 45.100 0.118 0.000 0.671 139 G HN 0.473 nan 8.290 nan 0.000 0.521 140 A N -0.337 122.516 122.820 0.055 0.000 2.312 140 A HA 0.890 5.210 4.320 -0.000 0.000 0.328 140 A C -0.124 177.362 177.584 -0.163 0.000 1.158 140 A CA -0.300 51.724 52.037 -0.020 0.000 0.821 140 A CB 1.295 20.254 19.000 -0.068 0.000 1.170 140 A HN 1.385 nan 8.150 nan 0.000 0.490 141 I N 0.756 121.193 120.570 -0.221 0.000 2.647 141 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 141 I C -1.040 174.941 176.117 -0.226 0.000 1.078 141 I CA -0.616 60.456 61.300 -0.380 0.000 1.048 141 I CB 1.841 39.423 38.000 -0.697 0.000 1.239 141 I HN 0.708 nan 8.210 nan 0.000 0.421 142 K N 7.163 127.434 120.400 -0.215 0.000 2.464 142 K HA 0.527 4.847 4.320 -0.000 0.000 0.253 142 K C -1.445 175.090 176.600 -0.109 0.000 0.933 142 K CA -0.783 55.423 56.287 -0.134 0.000 0.801 142 K CB 2.577 35.006 32.500 -0.119 0.000 1.271 142 K HN 0.500 nan 8.250 nan 0.000 0.430 143 L N 2.225 123.426 121.223 -0.037 0.000 2.416 143 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 143 L C 0.171 177.156 176.870 0.191 0.000 1.161 143 L CA -0.023 54.821 54.840 0.007 0.000 0.845 143 L CB 0.781 42.892 42.059 0.087 0.000 1.119 143 L HN 0.765 nan 8.230 nan 0.000 0.464 144 A N 1.946 124.852 122.820 0.142 0.000 2.530 144 A HA 0.550 4.870 4.320 -0.000 0.000 0.288 144 A C -0.664 177.060 177.584 0.234 0.000 1.172 144 A CA -0.441 51.705 52.037 0.182 0.000 0.733 144 A CB 1.305 20.275 19.000 -0.050 0.000 1.320 144 A HN 0.740 nan 8.150 nan 0.000 0.419 145 D N -1.191 119.294 120.400 0.143 0.000 3.620 145 D HA -0.144 4.496 4.640 -0.000 0.000 0.237 145 D C -1.017 175.296 176.300 0.023 0.000 1.111 145 D CA 0.584 54.620 54.000 0.060 0.000 1.070 145 D CB -0.910 39.874 40.800 -0.027 0.000 0.891 145 D HN 0.405 nan 8.370 nan 0.000 0.412 146 F N 0.788 120.664 119.950 -0.122 0.000 2.898 146 F HA 0.355 4.882 4.527 -0.000 0.000 0.290 146 F C 2.070 177.786 175.800 -0.140 0.000 1.195 146 F CA 0.169 58.048 58.000 -0.202 0.000 1.387 146 F CB 0.445 39.403 39.000 -0.070 0.000 0.976 146 F HN 0.319 nan 8.300 nan 0.000 0.510 147 G N -0.042 108.741 108.800 -0.029 0.000 2.402 147 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 147 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 147 G C 1.420 176.289 174.900 -0.051 0.000 1.162 147 G CA 0.357 45.451 45.100 -0.011 0.000 0.777 147 G HN 0.397 nan 8.290 nan 0.000 0.539 148 L N 1.035 122.168 121.223 -0.151 0.000 2.611 148 L HA 0.395 4.735 4.340 -0.000 0.000 0.229 148 L C 1.534 178.294 176.870 -0.182 0.000 1.137 148 L CA -0.564 54.179 54.840 -0.162 0.000 0.901 148 L CB -0.071 41.854 42.059 -0.224 0.000 1.098 148 L HN 0.184 nan 8.230 nan 0.000 0.456 149 A N 0.914 123.623 122.820 -0.185 0.000 2.466 149 A HA 0.453 4.773 4.320 -0.000 0.000 0.238 149 A C 0.184 177.783 177.584 0.026 0.000 1.074 149 A CA 0.190 52.154 52.037 -0.122 0.000 0.774 149 A CB 0.292 19.287 19.000 -0.009 0.000 1.015 149 A HN 0.221 nan 8.150 nan 0.000 0.498 150 R N -0.035 120.515 120.500 0.083 0.000 2.604 150 R HA 0.578 4.918 4.340 -0.000 0.000 0.281 150 R C -0.667 175.770 176.300 0.228 0.000 1.020 150 R CA -0.325 55.866 56.100 0.151 0.000 0.899 150 R CB 1.980 32.377 30.300 0.161 0.000 1.205 150 R HN 0.914 nan 8.270 nan 0.000 0.450 151 A N 2.975 125.907 122.820 0.187 0.000 2.331 151 A HA 0.499 4.819 4.320 -0.000 0.000 0.283 151 A C -0.113 177.594 177.584 0.204 0.000 1.142 151 A CA -0.406 51.719 52.037 0.146 0.000 0.812 151 A CB -0.182 18.855 19.000 0.060 0.000 1.074 151 A HN 0.604 nan 8.150 nan 0.000 0.497 152 F N 1.575 121.561 119.950 0.060 0.000 2.664 152 F HA 0.517 5.044 4.527 -0.000 0.000 0.322 152 F C 1.006 176.811 175.800 0.009 0.000 1.324 152 F CA -0.805 57.217 58.000 0.037 0.000 1.154 152 F CB -0.190 38.832 39.000 0.038 0.000 1.236 152 F HN 0.466 nan 8.300 nan 0.000 0.532 153 G N 0.632 109.394 108.800 -0.064 0.000 2.448 153 G HA2 0.116 4.076 3.960 -0.000 0.000 0.219 153 G HA3 0.116 4.076 3.960 -0.000 0.000 0.219 153 G C 0.432 175.325 174.900 -0.011 0.000 1.127 153 G CA 1.200 46.246 45.100 -0.089 0.000 0.766 153 G HN 0.592 nan 8.290 nan 0.000 0.552 154 V N -3.929 116.007 119.914 0.037 0.000 2.876 154 V HA 0.664 4.784 4.120 -0.000 0.000 0.312 154 V C -2.903 173.213 176.094 0.036 0.000 1.085 154 V CA -3.193 59.117 62.300 0.016 0.000 0.945 154 V CB 1.973 33.794 31.823 -0.002 0.000 1.017 154 V HN -0.148 nan 8.190 nan 0.000 0.428 155 P HA 0.106 nan 4.420 nan 0.000 0.261 155 P C -0.374 176.897 177.300 -0.049 0.000 1.173 155 P CA 0.250 63.227 63.100 -0.205 0.000 0.760 155 P CB 0.450 31.683 31.700 -0.778 0.000 0.783 156 V N 5.844 125.841 119.914 0.139 0.000 2.427 156 V HA 0.119 4.239 4.120 -0.000 0.000 0.268 156 V C 1.037 177.367 176.094 0.392 0.000 1.046 156 V CA -0.235 62.237 62.300 0.288 0.000 0.970 156 V CB -0.003 32.043 31.823 0.372 0.000 1.001 156 V HN 0.476 nan 8.190 nan 0.000 0.476 157 R N 3.016 123.721 120.500 0.343 0.000 2.537 157 R HA 0.248 4.588 4.340 -0.000 0.000 0.280 157 R C 0.594 176.990 176.300 0.160 0.000 1.058 157 R CA -0.188 56.071 56.100 0.263 0.000 1.057 157 R CB 0.167 30.562 30.300 0.158 0.000 0.973 157 R HN 0.812 nan 8.270 nan 0.000 0.438 158 T N 0.247 114.744 114.554 -0.095 0.000 2.884 158 T HA 0.093 4.443 4.350 -0.000 0.000 0.298 158 T C 0.077 174.836 174.700 0.099 0.000 0.998 158 T CA -0.597 61.349 62.100 -0.256 0.000 1.124 158 T CB 0.305 68.841 68.868 -0.553 0.000 0.931 158 T HN 0.257 nan 8.240 nan 0.000 0.531 159 Y N 2.449 122.805 120.300 0.094 0.000 2.702 159 Y HA 0.138 4.688 4.550 -0.000 0.000 0.336 159 Y C 2.313 178.224 175.900 0.018 0.000 1.235 159 Y CA 0.157 58.321 58.100 0.107 0.000 1.492 159 Y CB 0.248 38.818 38.460 0.183 0.000 1.308 159 Y HN 0.971 nan 8.280 nan 0.000 0.589 160 T N -1.267 113.336 114.554 0.082 0.000 2.851 160 T HA -0.073 4.277 4.350 -0.000 0.000 0.262 160 T C 0.436 175.067 174.700 -0.115 0.000 1.043 160 T CA 0.864 62.916 62.100 -0.081 0.000 1.140 160 T CB -0.200 68.541 68.868 -0.211 0.000 0.872 160 T HN 0.521 nan 8.240 nan 0.000 0.446 161 H N 2.537 121.692 119.070 0.141 0.000 2.741 161 H HA 0.528 5.084 4.556 -0.000 0.000 0.282 161 H C 0.496 175.922 175.328 0.162 0.000 1.122 161 H CA -0.236 55.888 56.048 0.126 0.000 1.293 161 H CB -0.042 29.786 29.762 0.110 0.000 1.415 161 H HN 0.690 nan 8.280 nan 0.000 0.472 162 E N 2.766 123.086 120.200 0.200 0.000 2.765 162 E HA 0.090 4.440 4.350 -0.000 0.000 0.256 162 E C 0.449 177.107 176.600 0.096 0.000 0.935 162 E CA 0.282 56.766 56.400 0.140 0.000 0.954 162 E CB 0.290 30.049 29.700 0.099 0.000 0.908 162 E HN 0.443 nan 8.360 nan 0.000 0.500 163 V N 3.119 123.036 119.914 0.006 0.000 2.911 163 V HA 0.020 4.140 4.120 -0.000 0.000 0.237 163 V C 1.325 177.377 176.094 -0.070 0.000 1.156 163 V CA 0.478 62.739 62.300 -0.065 0.000 1.180 163 V CB 0.542 32.224 31.823 -0.236 0.000 0.932 163 V HN 0.721 nan 8.190 nan 0.000 0.483 164 V N 0.909 120.772 119.914 -0.084 0.000 3.524 164 V HA -0.049 4.071 4.120 -0.000 0.000 0.303 164 V C 1.022 177.129 176.094 0.021 0.000 1.130 164 V CA 0.852 63.129 62.300 -0.038 0.000 1.225 164 V CB 0.165 31.983 31.823 -0.008 0.000 1.056 164 V HN 0.520 nan 8.190 nan 0.000 0.495 165 T N 0.827 115.416 114.554 0.059 0.000 2.855 165 T HA 0.134 4.484 4.350 -0.000 0.000 0.314 165 T C 0.665 175.437 174.700 0.120 0.000 1.077 165 T CA -0.110 62.041 62.100 0.084 0.000 1.095 165 T CB 0.386 69.367 68.868 0.188 0.000 0.987 165 T HN 0.539 nan 8.240 nan 0.000 0.546 166 L N 3.131 124.400 121.223 0.077 0.000 2.084 166 L HA 0.252 4.592 4.340 -0.000 0.000 0.202 166 L C 1.846 178.865 176.870 0.249 0.000 1.074 166 L CA 1.401 56.321 54.840 0.133 0.000 0.757 166 L CB -0.873 41.249 42.059 0.106 0.000 0.918 166 L HN 0.768 nan 8.230 nan 0.000 0.444 167 W N -0.464 120.787 121.300 -0.082 0.000 2.341 167 W HA -0.201 4.459 4.660 -0.000 0.000 0.283 167 W C 1.675 177.956 176.519 -0.397 0.000 1.215 167 W CA 0.916 58.081 57.345 -0.299 0.000 1.211 167 W CB -1.110 27.997 29.460 -0.589 0.000 1.131 167 W HN 0.280 nan 8.180 nan 0.000 0.552 168 Y N -1.179 119.358 120.300 0.395 0.000 2.584 168 Y HA 0.281 4.831 4.550 -0.000 0.000 0.254 168 Y C 1.179 177.329 175.900 0.417 0.000 1.177 168 Y CA -0.731 57.590 58.100 0.368 0.000 1.216 168 Y CB -0.385 38.217 38.460 0.237 0.000 1.172 168 Y HN -0.348 nan 8.280 nan 0.000 0.529 169 R N 1.921 122.660 120.500 0.399 0.000 2.389 169 R HA 0.523 4.863 4.340 -0.000 0.000 0.295 169 R C 0.228 176.568 176.300 0.067 0.000 1.075 169 R CA -0.163 56.081 56.100 0.241 0.000 1.005 169 R CB 0.473 30.862 30.300 0.148 0.000 0.987 169 R HN 0.260 nan 8.270 nan 0.000 0.452 170 A N 6.263 128.974 122.820 -0.181 0.000 2.425 170 A HA 0.205 4.525 4.320 -0.000 0.000 0.242 170 A C -1.541 175.665 177.584 -0.630 0.000 1.077 170 A CA -1.254 50.239 52.037 -0.907 0.000 0.781 170 A CB 0.134 18.840 19.000 -0.491 0.000 1.020 170 A HN 0.735 nan 8.150 nan 0.000 0.494 171 P HA -0.165 nan 4.420 nan 0.000 0.218 171 P C 0.645 178.001 177.300 0.094 0.000 1.149 171 P CA 1.477 64.431 63.100 -0.244 0.000 0.817 171 P CB 0.130 31.773 31.700 -0.095 0.000 0.785 172 E N 0.710 120.965 120.200 0.092 0.000 2.049 172 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 172 E C 2.184 178.861 176.600 0.129 0.000 1.007 172 E CA 1.280 57.837 56.400 0.263 0.000 0.809 172 E CB -1.333 28.464 29.700 0.162 0.000 0.749 172 E HN 0.296 nan 8.360 nan 0.000 0.450 173 I N 0.448 121.047 120.570 0.049 0.000 2.335 173 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 173 I C 2.094 178.240 176.117 0.048 0.000 1.129 173 I CA 0.960 62.285 61.300 0.041 0.000 1.402 173 I CB -0.286 37.775 38.000 0.101 0.000 1.069 173 I HN 0.071 nan 8.210 nan 0.000 0.424 174 L N -0.105 121.148 121.223 0.049 0.000 2.131 174 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 174 L C 2.176 179.111 176.870 0.108 0.000 1.087 174 L CA 0.922 55.794 54.840 0.054 0.000 0.767 174 L CB -0.299 41.765 42.059 0.009 0.000 0.917 174 L HN 0.224 nan 8.230 nan 0.000 0.441 175 L N 0.001 121.321 121.223 0.161 0.000 2.610 175 L HA 0.094 4.434 4.340 -0.000 0.000 0.232 175 L C 1.204 178.138 176.870 0.106 0.000 1.149 175 L CA 0.505 55.462 54.840 0.194 0.000 0.872 175 L CB -0.604 41.589 42.059 0.222 0.000 0.992 175 L HN 0.512 nan 8.230 nan 0.000 0.447 176 G N 0.299 109.136 108.800 0.061 0.000 2.149 176 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.235 176 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.235 176 G C 0.450 175.329 174.900 -0.035 0.000 1.018 176 G CA -0.014 45.089 45.100 0.005 0.000 0.728 176 G HN 0.477 nan 8.290 nan 0.000 0.508 177 C N -1.132 118.155 119.300 -0.022 0.000 2.727 177 C HA 0.603 5.063 4.460 -0.000 0.000 0.401 177 C C 2.057 176.950 174.990 -0.161 0.000 1.294 177 C CA 0.449 59.434 59.018 -0.055 0.000 2.134 177 C CB 1.003 28.754 27.740 0.018 0.000 2.724 177 C HN 0.618 nan 8.230 nan 0.000 0.677 178 K N 0.631 120.883 120.400 -0.247 0.000 2.031 178 K HA 0.032 4.352 4.320 -0.000 0.000 0.205 178 K C 0.028 176.330 176.600 -0.498 0.000 1.049 178 K CA 1.092 57.103 56.287 -0.459 0.000 0.939 178 K CB -0.052 32.006 32.500 -0.737 0.000 0.717 178 K HN 0.834 nan 8.250 nan 0.000 0.438 179 Y N -1.425 118.812 120.300 -0.106 0.000 2.621 179 Y HA 0.291 4.841 4.550 -0.000 0.000 0.334 179 Y C -0.177 175.622 175.900 -0.170 0.000 1.074 179 Y CA -1.657 56.374 58.100 -0.115 0.000 1.149 179 Y CB 0.794 39.244 38.460 -0.017 0.000 1.302 179 Y HN -0.149 nan 8.280 nan 0.000 0.501 180 Y N 0.442 120.858 120.300 0.194 0.000 2.418 180 Y HA 0.564 5.114 4.550 -0.000 0.000 0.327 180 Y C 0.320 176.203 175.900 -0.028 0.000 1.309 180 Y CA -0.567 57.572 58.100 0.066 0.000 1.423 180 Y CB 1.595 40.083 38.460 0.046 0.000 1.423 180 Y HN 0.596 nan 8.280 nan 0.000 0.532 181 S N -2.810 112.930 115.700 0.066 0.000 2.611 181 S HA 0.185 4.655 4.470 -0.000 0.000 0.268 181 S C 0.319 174.752 174.600 -0.277 0.000 1.156 181 S CA -0.306 57.788 58.200 -0.176 0.000 0.817 181 S CB 0.725 63.871 63.200 -0.091 0.000 1.122 181 S HN 0.723 nan 8.310 nan 0.000 0.466 182 T N -1.131 113.120 114.554 -0.505 0.000 2.869 182 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 182 T C 2.016 176.581 174.700 -0.225 0.000 1.082 182 T CA 1.547 63.253 62.100 -0.658 0.000 1.123 182 T CB -1.042 67.239 68.868 -0.978 0.000 0.856 182 T HN 1.207 nan 8.240 nan 0.000 0.499 183 A N 2.153 124.906 122.820 -0.112 0.000 1.917 183 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 183 A C 2.776 180.423 177.584 0.105 0.000 1.182 183 A CA 2.255 54.301 52.037 0.015 0.000 0.633 183 A CB -1.348 17.649 19.000 -0.005 0.000 0.819 183 A HN 0.974 nan 8.150 nan 0.000 0.448 184 V N -1.688 118.280 119.914 0.090 0.000 2.469 184 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 184 V C 1.732 177.951 176.094 0.208 0.000 1.064 184 V CA 2.700 65.091 62.300 0.151 0.000 1.066 184 V CB -0.874 31.042 31.823 0.155 0.000 0.667 184 V HN 0.428 nan 8.190 nan 0.000 0.461 185 D N 0.361 120.870 120.400 0.181 0.000 2.149 185 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 185 D C 2.181 178.601 176.300 0.201 0.000 0.972 185 D CA 1.370 55.489 54.000 0.198 0.000 0.835 185 D CB -0.105 40.863 40.800 0.280 0.000 0.966 185 D HN 0.430 nan 8.370 nan 0.000 0.476 186 I N 0.452 121.160 120.570 0.230 0.000 2.315 186 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 186 I C 2.317 178.570 176.117 0.226 0.000 1.117 186 I CA 0.624 62.044 61.300 0.199 0.000 1.404 186 I CB -0.923 37.189 38.000 0.186 0.000 1.071 186 I HN 0.291 nan 8.210 nan 0.000 0.419 187 W N 1.890 123.249 121.300 0.097 0.000 2.338 187 W HA -0.232 4.428 4.660 -0.000 0.000 0.304 187 W C 2.480 179.094 176.519 0.158 0.000 1.212 187 W CA 1.710 59.124 57.345 0.115 0.000 1.264 187 W CB -0.262 29.255 29.460 0.095 0.000 1.142 187 W HN 0.077 nan 8.180 nan 0.000 0.512 188 S N 1.305 117.215 115.700 0.349 0.000 2.356 188 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 188 S C 1.965 176.631 174.600 0.111 0.000 1.032 188 S CA 1.670 60.029 58.200 0.264 0.000 1.005 188 S CB -0.724 62.590 63.200 0.189 0.000 0.867 188 S HN 0.250 nan 8.310 nan 0.000 0.449 189 L N 0.827 122.089 121.223 0.066 0.000 2.083 189 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 189 L C 2.730 179.648 176.870 0.081 0.000 1.083 189 L CA 1.133 55.998 54.840 0.040 0.000 0.752 189 L CB -1.178 40.899 42.059 0.029 0.000 0.899 189 L HN 0.425 nan 8.230 nan 0.000 0.433 190 G N -0.606 108.218 108.800 0.040 0.000 2.446 190 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 190 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 190 G C 1.623 176.481 174.900 -0.071 0.000 1.168 190 G CA 1.009 46.109 45.100 0.000 0.000 0.771 190 G HN 0.398 nan 8.290 nan 0.000 0.551 191 C N 0.315 119.540 119.300 -0.126 0.000 2.446 191 C HA 0.085 4.545 4.460 -0.000 0.000 0.277 191 C C 2.842 177.876 174.990 0.075 0.000 1.275 191 C CA 0.369 59.336 59.018 -0.085 0.000 1.727 191 C CB -0.956 26.851 27.740 0.111 0.000 2.010 191 C HN 0.466 nan 8.230 nan 0.000 0.486 192 I N 0.281 120.945 120.570 0.155 0.000 2.226 192 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 192 I C 2.471 178.688 176.117 0.167 0.000 1.100 192 I CA 1.521 62.902 61.300 0.135 0.000 1.374 192 I CB -0.592 37.420 38.000 0.021 0.000 1.057 192 I HN 0.267 nan 8.210 nan 0.000 0.413 193 F N 2.292 122.231 119.950 -0.018 0.000 2.095 193 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 193 F C 2.446 178.204 175.800 -0.069 0.000 1.104 193 F CA 1.397 59.384 58.000 -0.021 0.000 1.232 193 F CB -0.834 38.139 39.000 -0.045 0.000 0.987 193 F HN 0.020 nan 8.300 nan 0.000 0.475 194 A N -0.031 122.625 122.820 -0.273 0.000 1.877 194 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 194 A C 2.280 179.702 177.584 -0.269 0.000 1.186 194 A CA 1.629 53.394 52.037 -0.454 0.000 0.620 194 A CB -1.142 17.564 19.000 -0.490 0.000 0.822 194 A HN 0.536 nan 8.150 nan 0.000 0.443 195 E N -0.664 119.444 120.200 -0.154 0.000 2.097 195 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 195 E C 2.076 178.653 176.600 -0.039 0.000 1.000 195 E CA 1.688 58.038 56.400 -0.084 0.000 0.804 195 E CB -0.205 29.513 29.700 0.030 0.000 0.740 195 E HN 0.660 nan 8.360 nan 0.000 0.454 196 M N -0.249 119.367 119.600 0.028 0.000 2.117 196 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 196 M C 2.317 178.622 176.300 0.008 0.000 1.065 196 M CA 1.031 56.372 55.300 0.068 0.000 1.114 196 M CB -0.037 32.680 32.600 0.194 0.000 1.361 196 M HN 0.099 nan 8.290 nan 0.000 0.408 197 V N 0.116 119.998 119.914 -0.055 0.000 2.358 197 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 197 V C 2.491 178.510 176.094 -0.125 0.000 1.047 197 V CA 2.307 64.543 62.300 -0.107 0.000 1.035 197 V CB -1.061 30.610 31.823 -0.253 0.000 0.658 197 V HN 0.633 nan 8.190 nan 0.000 0.452 198 T N -3.422 111.035 114.554 -0.161 0.000 3.065 198 T HA 0.078 4.428 4.350 -0.000 0.000 0.252 198 T C 1.160 175.786 174.700 -0.123 0.000 1.099 198 T CA 0.280 62.286 62.100 -0.157 0.000 1.063 198 T CB -0.011 68.732 68.868 -0.209 0.000 0.948 198 T HN 0.490 nan 8.240 nan 0.000 0.506 199 R N -0.025 120.415 120.500 -0.100 0.000 3.954 199 R HA -0.112 4.228 4.340 -0.000 0.000 0.422 199 R C -0.376 175.875 176.300 -0.081 0.000 1.091 199 R CA 0.819 56.872 56.100 -0.078 0.000 1.168 199 R CB -1.443 28.812 30.300 -0.076 0.000 1.752 199 R HN 0.433 nan 8.270 nan 0.000 0.547 200 R N 0.171 120.600 120.500 -0.118 0.000 2.750 200 R HA 0.586 4.926 4.340 -0.000 0.000 0.281 200 R C -0.461 175.723 176.300 -0.194 0.000 0.972 200 R CA -0.230 55.783 56.100 -0.144 0.000 0.912 200 R CB 1.875 32.072 30.300 -0.172 0.000 1.187 200 R HN 0.135 nan 8.270 nan 0.000 0.464 201 A N 2.750 125.435 122.820 -0.225 0.000 2.491 201 A HA 0.019 4.339 4.320 -0.000 0.000 0.261 201 A C 1.262 178.547 177.584 -0.498 0.000 1.101 201 A CA -0.218 51.618 52.037 -0.335 0.000 0.772 201 A CB 0.092 18.752 19.000 -0.567 0.000 1.043 201 A HN 0.723 nan 8.150 nan 0.000 0.501 202 L N 3.132 124.025 121.223 -0.550 0.000 2.012 202 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 202 L C 0.502 176.770 176.870 -1.002 0.000 1.073 202 L CA 1.992 56.320 54.840 -0.853 0.000 0.748 202 L CB -0.357 41.050 42.059 -1.086 0.000 0.891 202 L HN 0.656 nan 8.230 nan 0.000 0.431 203 F N 0.714 120.406 119.950 -0.430 0.000 2.622 203 F HA 0.347 4.874 4.527 -0.000 0.000 0.338 203 F C -2.084 173.304 175.800 -0.687 0.000 1.334 203 F CA -1.574 56.179 58.000 -0.411 0.000 1.179 203 F CB 0.640 39.516 39.000 -0.206 0.000 1.471 203 F HN 0.002 nan 8.300 nan 0.000 0.576 204 P HA 0.121 nan 4.420 nan 0.000 0.231 204 P C 0.460 177.392 177.300 -0.613 0.000 1.811 204 P CA 0.318 62.394 63.100 -1.706 0.000 1.051 204 P CB 0.471 31.221 31.700 -1.582 0.000 1.951 205 G N 2.039 110.712 108.800 -0.212 0.000 2.527 205 G HA2 0.062 4.022 3.960 -0.000 0.000 0.248 205 G HA3 0.062 4.022 3.960 -0.000 0.000 0.248 205 G C 0.516 175.550 174.900 0.224 0.000 1.231 205 G CA -0.350 44.780 45.100 0.050 0.000 0.838 205 G HN 0.202 nan 8.290 nan 0.000 0.570 206 D N -0.624 119.840 120.400 0.106 0.000 2.240 206 D HA 0.041 4.681 4.640 -0.000 0.000 0.206 206 D C 1.611 177.948 176.300 0.061 0.000 0.963 206 D CA 1.289 55.350 54.000 0.101 0.000 0.863 206 D CB 0.419 41.249 40.800 0.050 0.000 0.973 206 D HN 0.467 nan 8.370 nan 0.000 0.501 207 S N -0.910 114.803 115.700 0.021 0.000 2.732 207 S HA 0.326 4.796 4.470 -0.000 0.000 0.293 207 S C 0.788 175.371 174.600 -0.029 0.000 1.159 207 S CA -0.787 57.409 58.200 -0.007 0.000 0.847 207 S CB 2.350 65.527 63.200 -0.039 0.000 1.169 207 S HN -0.158 nan 8.310 nan 0.000 0.501 208 E N -0.280 119.898 120.200 -0.036 0.000 2.077 208 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 208 E C 1.596 178.118 176.600 -0.130 0.000 0.989 208 E CA 1.242 57.614 56.400 -0.047 0.000 0.800 208 E CB -0.284 29.404 29.700 -0.020 0.000 0.746 208 E HN 0.543 nan 8.360 nan 0.000 0.452 209 I N 1.588 122.041 120.570 -0.195 0.000 2.353 209 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 209 I C 1.836 177.628 176.117 -0.542 0.000 1.119 209 I CA 1.396 62.450 61.300 -0.410 0.000 1.417 209 I CB -0.106 37.631 38.000 -0.438 0.000 1.078 209 I HN -0.057 nan 8.210 nan 0.000 0.421 210 D N -0.546 119.667 120.400 -0.311 0.000 2.144 210 D HA -0.261 4.379 4.640 -0.000 0.000 0.200 210 D C 2.135 178.344 176.300 -0.153 0.000 0.978 210 D CA 1.125 55.004 54.000 -0.202 0.000 0.833 210 D CB -0.035 40.709 40.800 -0.093 0.000 0.961 210 D HN 0.334 nan 8.370 nan 0.000 0.470 211 Q N -0.286 119.433 119.800 -0.135 0.000 2.050 211 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 211 Q C 1.991 177.848 176.000 -0.238 0.000 0.980 211 Q CA 1.111 56.846 55.803 -0.114 0.000 0.840 211 Q CB -0.635 28.080 28.738 -0.038 0.000 0.898 211 Q HN 0.360 nan 8.270 nan 0.000 0.424 212 L N -0.564 120.473 121.223 -0.309 0.000 2.046 212 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 212 L C 1.837 178.266 176.870 -0.735 0.000 1.077 212 L CA 1.620 56.131 54.840 -0.548 0.000 0.747 212 L CB -0.656 41.120 42.059 -0.473 0.000 0.896 212 L HN 0.253 nan 8.230 nan 0.000 0.432 213 F N -0.150 119.437 119.950 -0.605 0.000 2.234 213 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 213 F C 2.570 178.082 175.800 -0.480 0.000 1.087 213 F CA 0.863 58.617 58.000 -0.410 0.000 1.340 213 F CB -0.797 38.129 39.000 -0.122 0.000 1.031 213 F HN 0.104 nan 8.300 nan 0.000 0.500 214 R N -0.052 120.330 120.500 -0.197 0.000 2.090 214 R HA -0.061 4.279 4.340 -0.000 0.000 0.228 214 R C 2.231 178.404 176.300 -0.212 0.000 1.110 214 R CA 1.197 57.188 56.100 -0.183 0.000 0.973 214 R CB -0.396 29.866 30.300 -0.064 0.000 0.869 214 R HN 0.257 nan 8.270 nan 0.000 0.440 215 I N 0.121 120.407 120.570 -0.472 0.000 2.252 215 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 215 I C 1.700 177.807 176.117 -0.016 0.000 1.102 215 I CA 1.171 62.068 61.300 -0.671 0.000 1.385 215 I CB -0.256 37.357 38.000 -0.645 0.000 1.064 215 I HN 0.023 nan 8.210 nan 0.000 0.414 216 F N 0.977 120.924 119.950 -0.004 0.000 2.084 216 F HA -0.113 4.414 4.527 -0.000 0.000 0.296 216 F C 2.674 178.464 175.800 -0.016 0.000 1.111 216 F CA 1.069 59.150 58.000 0.135 0.000 1.224 216 F CB -1.307 37.827 39.000 0.222 0.000 0.991 216 F HN -0.056 nan 8.300 nan 0.000 0.471 217 R N -0.366 119.981 120.500 -0.255 0.000 2.139 217 R HA -0.166 4.174 4.340 -0.000 0.000 0.243 217 R C 1.932 178.126 176.300 -0.177 0.000 1.145 217 R CA 2.002 57.719 56.100 -0.639 0.000 0.976 217 R CB -0.344 29.380 30.300 -0.960 0.000 0.866 217 R HN 0.273 nan 8.270 nan 0.000 0.449 218 T N 0.028 114.579 114.554 -0.004 0.000 2.953 218 T HA 0.081 4.431 4.350 -0.000 0.000 0.247 218 T C 1.418 176.229 174.700 0.185 0.000 1.029 218 T CA 0.582 62.735 62.100 0.088 0.000 1.144 218 T CB 0.178 69.169 68.868 0.204 0.000 0.870 218 T HN 0.131 nan 8.240 nan 0.000 0.446 219 L N 0.870 122.267 121.223 0.289 0.000 2.628 219 L HA 0.386 4.726 4.340 -0.000 0.000 0.229 219 L C 1.101 178.241 176.870 0.450 0.000 1.137 219 L CA -0.376 54.701 54.840 0.394 0.000 0.909 219 L CB -0.578 41.710 42.059 0.382 0.000 1.137 219 L HN 0.406 nan 8.230 nan 0.000 0.470 220 G N 0.266 109.284 108.800 0.363 0.000 2.716 220 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 220 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 220 G C -0.227 174.814 174.900 0.234 0.000 1.337 220 G CA -0.760 44.517 45.100 0.294 0.000 0.829 220 G HN 0.004 nan 8.290 nan 0.000 0.599 221 T N 4.743 119.340 114.554 0.071 0.000 2.834 221 T HA 0.505 4.855 4.350 -0.000 0.000 0.298 221 T C -1.187 173.266 174.700 -0.412 0.000 0.966 221 T CA 0.105 61.995 62.100 -0.349 0.000 1.141 221 T CB 1.292 69.978 68.868 -0.303 0.000 0.905 221 T HN 0.688 nan 8.240 nan 0.000 0.535 222 P HA 0.294 nan 4.420 nan 0.000 0.272 222 P C -0.989 176.128 177.300 -0.305 0.000 1.223 222 P CA -0.393 62.382 63.100 -0.541 0.000 0.784 222 P CB 0.812 32.111 31.700 -0.669 0.000 0.923 223 D N -0.586 119.691 120.400 -0.205 0.000 2.636 223 D HA 0.196 4.836 4.640 -0.000 0.000 0.275 223 D C 0.838 177.044 176.300 -0.157 0.000 1.130 223 D CA -0.656 53.237 54.000 -0.179 0.000 1.031 223 D CB 0.262 40.995 40.800 -0.112 0.000 1.451 223 D HN 0.090 nan 8.370 nan 0.000 0.505 224 E N -0.377 119.726 120.200 -0.162 0.000 2.204 224 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 224 E C 1.982 178.559 176.600 -0.039 0.000 0.990 224 E CA 0.717 57.040 56.400 -0.128 0.000 0.821 224 E CB -0.159 29.466 29.700 -0.126 0.000 0.750 224 E HN 0.392 nan 8.360 nan 0.000 0.477 225 V N 0.532 120.432 119.914 -0.023 0.000 2.283 225 V HA -0.177 3.943 4.120 -0.000 0.000 0.243 225 V C 2.538 178.668 176.094 0.060 0.000 1.039 225 V CA 1.189 63.498 62.300 0.014 0.000 1.016 225 V CB -0.553 31.273 31.823 0.005 0.000 0.650 225 V HN 0.051 nan 8.190 nan 0.000 0.449 226 V N -1.877 118.074 119.914 0.061 0.000 2.358 226 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 226 V C 0.856 177.101 176.094 0.252 0.000 1.047 226 V CA 1.387 63.757 62.300 0.116 0.000 1.035 226 V CB -0.256 31.605 31.823 0.062 0.000 0.658 226 V HN 0.748 nan 8.190 nan 0.000 0.452 227 W N 1.806 123.092 121.300 -0.024 0.000 2.451 227 W HA 0.474 5.134 4.660 -0.000 0.000 0.285 227 W C -3.263 173.233 176.519 -0.039 0.000 1.024 227 W CA -3.573 53.778 57.345 0.009 0.000 1.421 227 W CB 0.619 30.086 29.460 0.011 0.000 1.319 227 W HN 0.046 nan 8.180 nan 0.000 0.366 228 P HA 0.228 nan 4.420 nan 0.000 0.260 228 P C 0.863 178.127 177.300 -0.061 0.000 1.185 228 P CA 2.495 65.617 63.100 0.037 0.000 0.763 228 P CB 0.658 32.405 31.700 0.078 0.000 0.776 229 G N 1.433 110.102 108.800 -0.220 0.000 2.278 229 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.210 229 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.210 229 G C 0.998 175.575 174.900 -0.540 0.000 1.000 229 G CA 0.101 45.026 45.100 -0.291 0.000 0.635 229 G HN 0.341 nan 8.290 nan 0.000 0.495 230 V N 2.114 121.526 119.914 -0.836 0.000 2.218 230 V HA -0.295 3.824 4.120 -0.000 0.000 0.251 230 V C 3.331 178.815 176.094 -1.017 0.000 1.057 230 V CA 4.213 65.857 62.300 -1.093 0.000 1.022 230 V CB -1.573 29.656 31.823 -0.989 0.000 0.645 230 V HN 1.151 nan 8.190 nan 0.000 0.451 231 T N -1.703 112.170 114.554 -1.135 0.000 2.802 231 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 231 T C 1.659 176.031 174.700 -0.545 0.000 1.062 231 T CA 2.115 63.435 62.100 -1.300 0.000 1.133 231 T CB -0.551 67.922 68.868 -0.658 0.000 0.852 231 T HN 0.493 nan 8.240 nan 0.000 0.485 232 S N 1.001 116.465 115.700 -0.393 0.000 2.470 232 S HA 0.326 4.796 4.470 -0.000 0.000 0.225 232 S C 0.967 175.477 174.600 -0.149 0.000 1.006 232 S CA -0.024 58.053 58.200 -0.206 0.000 0.934 232 S CB -0.395 62.699 63.200 -0.177 0.000 0.778 232 S HN 0.534 nan 8.310 nan 0.000 0.517 233 M N 1.979 121.463 119.600 -0.195 0.000 2.245 233 M HA 0.035 4.515 4.480 -0.000 0.000 0.335 233 M C -1.584 174.706 176.300 -0.017 0.000 1.155 233 M CA -1.041 54.195 55.300 -0.107 0.000 1.055 233 M CB -0.430 32.089 32.600 -0.136 0.000 1.670 233 M HN -0.073 nan 8.290 nan 0.000 0.447 234 P HA -0.226 nan 4.420 nan 0.000 0.210 234 P C 0.351 177.662 177.300 0.018 0.000 1.151 234 P CA 1.527 64.620 63.100 -0.011 0.000 0.949 234 P CB 0.052 31.736 31.700 -0.026 0.000 0.786 235 D N -2.573 117.859 120.400 0.053 0.000 2.323 235 D HA -0.022 4.618 4.640 -0.000 0.000 0.239 235 D C 0.427 176.816 176.300 0.148 0.000 1.129 235 D CA 0.138 54.189 54.000 0.085 0.000 0.865 235 D CB -0.495 40.368 40.800 0.104 0.000 0.913 235 D HN 0.267 nan 8.370 nan 0.000 0.517 236 Y N 1.657 121.949 120.300 -0.014 0.000 2.300 236 Y HA 0.259 4.809 4.550 -0.000 0.000 0.328 236 Y C -0.085 175.531 175.900 -0.474 0.000 1.270 236 Y CA -0.147 57.902 58.100 -0.085 0.000 1.352 236 Y CB 0.737 39.138 38.460 -0.099 0.000 1.286 236 Y HN -0.352 nan 8.280 nan 0.000 0.536 237 K N 4.403 123.503 120.400 -2.167 0.000 2.527 237 K HA 0.259 4.579 4.320 -0.000 0.000 0.260 237 K C -2.544 173.174 176.600 -1.470 0.000 0.937 237 K CA -1.759 53.610 56.287 -1.529 0.000 0.826 237 K CB 2.382 34.084 32.500 -1.329 0.000 1.359 237 K HN 0.288 nan 8.250 nan 0.000 0.434 238 P HA -0.121 nan 4.420 nan 0.000 0.222 238 P C 0.876 178.025 177.300 -0.250 0.000 1.153 238 P CA 0.837 63.773 63.100 -0.275 0.000 0.798 238 P CB 0.269 31.902 31.700 -0.112 0.000 0.796 239 S N -1.906 113.631 115.700 -0.273 0.000 2.603 239 S HA -0.020 4.450 4.470 -0.000 0.000 0.229 239 S C 0.579 175.173 174.600 -0.009 0.000 0.972 239 S CA 0.000 58.124 58.200 -0.127 0.000 0.935 239 S CB -1.254 61.896 63.200 -0.084 0.000 0.769 239 S HN -0.156 nan 8.310 nan 0.000 0.536 240 F N 3.348 123.178 119.950 -0.200 0.000 2.529 240 F HA 0.424 4.951 4.527 -0.000 0.000 0.365 240 F C -2.056 173.545 175.800 -0.332 0.000 1.102 240 F CA -2.980 54.907 58.000 -0.188 0.000 1.271 240 F CB -0.461 38.425 39.000 -0.190 0.000 1.120 240 F HN 0.033 nan 8.300 nan 0.000 0.579 241 P HA 0.032 nan 4.420 nan 0.000 0.269 241 P C -0.852 176.057 177.300 -0.650 0.000 1.209 241 P CA -0.117 62.541 63.100 -0.737 0.000 0.776 241 P CB 0.534 31.336 31.700 -1.496 0.000 0.876 242 K N 2.898 122.984 120.400 -0.523 0.000 2.257 242 K HA 0.247 4.567 4.320 -0.000 0.000 0.270 242 K C -0.667 175.763 176.600 -0.284 0.000 1.098 242 K CA -0.045 56.059 56.287 -0.305 0.000 0.943 242 K CB 0.006 32.395 32.500 -0.186 0.000 1.316 242 K HN 0.424 nan 8.250 nan 0.000 0.447 243 W N 1.273 122.532 121.300 -0.069 0.000 2.415 243 W HA 0.589 5.249 4.660 -0.000 0.000 0.355 243 W C 0.293 176.811 176.519 -0.000 0.000 1.161 243 W CA -1.229 56.103 57.345 -0.021 0.000 1.315 243 W CB 1.316 30.783 29.460 0.013 0.000 1.261 243 W HN 0.379 nan 8.180 nan 0.000 0.636 244 A N 2.224 125.219 122.820 0.293 0.000 2.312 244 A HA 0.546 4.866 4.320 -0.000 0.000 0.328 244 A C -0.042 177.651 177.584 0.183 0.000 1.158 244 A CA -0.808 51.335 52.037 0.178 0.000 0.821 244 A CB 0.806 19.882 19.000 0.127 0.000 1.170 244 A HN 0.654 nan 8.150 nan 0.000 0.490 245 R N 1.303 121.900 120.500 0.162 0.000 2.537 245 R HA 0.158 4.498 4.340 -0.000 0.000 0.280 245 R C -0.374 176.017 176.300 0.152 0.000 1.058 245 R CA 0.300 56.509 56.100 0.182 0.000 1.057 245 R CB 0.265 30.671 30.300 0.176 0.000 0.973 245 R HN 0.834 nan 8.270 nan 0.000 0.438 246 Q N 1.850 121.745 119.800 0.158 0.000 2.214 246 Q HA 0.087 4.427 4.340 -0.000 0.000 0.251 246 Q C -0.905 175.195 176.000 0.167 0.000 0.936 246 Q CA -0.761 55.113 55.803 0.117 0.000 0.894 246 Q CB 1.285 30.057 28.738 0.056 0.000 1.252 246 Q HN 0.522 nan 8.270 nan 0.000 0.448 247 D N 0.788 121.260 120.400 0.119 0.000 2.382 247 D HA -0.042 4.598 4.640 -0.000 0.000 0.259 247 D C -0.001 176.407 176.300 0.180 0.000 1.224 247 D CA 0.197 54.282 54.000 0.141 0.000 0.894 247 D CB 0.350 41.195 40.800 0.075 0.000 1.127 247 D HN 0.383 nan 8.370 nan 0.000 0.487 248 F N 1.744 121.672 119.950 -0.036 0.000 2.346 248 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 248 F C 2.482 178.232 175.800 -0.083 0.000 1.070 248 F CA 1.101 59.060 58.000 -0.069 0.000 1.407 248 F CB -0.473 38.482 39.000 -0.074 0.000 1.072 248 F HN 0.391 nan 8.300 nan 0.000 0.543 249 S N -1.706 114.050 115.700 0.095 0.000 2.603 249 S HA 0.020 4.490 4.470 -0.000 0.000 0.220 249 S C 1.461 176.044 174.600 -0.028 0.000 0.967 249 S CA 0.162 58.374 58.200 0.020 0.000 0.920 249 S CB -0.180 63.035 63.200 0.026 0.000 0.773 249 S HN 0.395 nan 8.310 nan 0.000 0.529 250 K N 0.218 120.590 120.400 -0.046 0.000 2.412 250 K HA 0.278 4.598 4.320 -0.000 0.000 0.202 250 K C 1.115 177.632 176.600 -0.137 0.000 1.102 250 K CA 0.308 56.551 56.287 -0.073 0.000 1.027 250 K CB 0.612 33.084 32.500 -0.046 0.000 0.931 250 K HN 0.235 nan 8.250 nan 0.000 0.557 251 V N 0.938 120.729 119.914 -0.205 0.000 2.374 251 V HA -0.033 4.087 4.120 -0.000 0.000 0.241 251 V C 1.091 176.990 176.094 -0.326 0.000 1.034 251 V CA 0.648 62.753 62.300 -0.325 0.000 1.037 251 V CB 0.437 31.927 31.823 -0.555 0.000 0.682 251 V HN 0.085 nan 8.190 nan 0.000 0.463 252 V N -2.634 117.094 119.914 -0.311 0.000 2.313 252 V HA 0.455 4.575 4.120 -0.000 0.000 0.262 252 V C -2.069 173.922 176.094 -0.172 0.000 1.011 252 V CA -1.535 60.599 62.300 -0.277 0.000 0.858 252 V CB 0.485 32.082 31.823 -0.377 0.000 1.104 252 V HN 0.193 nan 8.190 nan 0.000 0.456 253 P HA 0.006 nan 4.420 nan 0.000 0.215 253 P C -1.289 175.972 177.300 -0.064 0.000 1.153 253 P CA 1.667 64.719 63.100 -0.081 0.000 0.853 253 P CB -0.872 30.783 31.700 -0.075 0.000 0.788 254 P HA -0.031 nan 4.420 nan 0.000 0.236 254 P C 0.103 177.388 177.300 -0.026 0.000 1.172 254 P CA 0.781 63.853 63.100 -0.047 0.000 0.759 254 P CB -0.125 31.543 31.700 -0.054 0.000 0.843 255 L N 0.638 121.832 121.223 -0.048 0.000 2.325 255 L HA 0.215 4.555 4.340 -0.000 0.000 0.279 255 L C 1.085 177.966 176.870 0.018 0.000 1.054 255 L CA -0.930 53.899 54.840 -0.018 0.000 0.804 255 L CB 0.825 42.818 42.059 -0.111 0.000 1.200 255 L HN 0.020 nan 8.230 nan 0.000 0.436 256 D N 1.518 121.961 120.400 0.073 0.000 2.425 256 D HA 0.020 4.660 4.640 -0.000 0.000 0.274 256 D C 0.530 176.870 176.300 0.068 0.000 1.242 256 D CA -0.347 53.698 54.000 0.075 0.000 1.060 256 D CB 0.730 41.595 40.800 0.107 0.000 1.112 256 D HN 0.516 nan 8.370 nan 0.000 0.561 257 E N -0.327 119.917 120.200 0.074 0.000 2.017 257 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 257 E C 1.579 178.238 176.600 0.097 0.000 0.997 257 E CA 1.250 57.691 56.400 0.068 0.000 0.804 257 E CB -0.068 29.669 29.700 0.063 0.000 0.757 257 E HN 0.434 nan 8.360 nan 0.000 0.448 258 D N 0.214 120.716 120.400 0.170 0.000 2.158 258 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 258 D C 1.949 178.272 176.300 0.039 0.000 0.995 258 D CA 1.353 55.527 54.000 0.290 0.000 0.846 258 D CB -0.584 40.463 40.800 0.412 0.000 0.941 258 D HN 0.289 nan 8.370 nan 0.000 0.456 259 G N 0.745 109.528 108.800 -0.027 0.000 2.433 259 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 259 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 259 G C 1.710 176.475 174.900 -0.225 0.000 1.186 259 G CA 0.291 45.161 45.100 -0.382 0.000 0.779 259 G HN 0.228 nan 8.290 nan 0.000 0.543 260 R N 0.283 120.741 120.500 -0.071 0.000 2.148 260 R HA 0.002 4.342 4.340 -0.000 0.000 0.227 260 R C 2.849 179.132 176.300 -0.028 0.000 1.103 260 R CA 1.099 57.215 56.100 0.026 0.000 0.983 260 R CB -0.321 30.024 30.300 0.074 0.000 0.874 260 R HN 0.423 nan 8.270 nan 0.000 0.451 261 S N 1.192 116.872 115.700 -0.032 0.000 2.344 261 S HA -0.139 4.331 4.470 -0.000 0.000 0.217 261 S C 1.923 176.508 174.600 -0.024 0.000 1.033 261 S CA 1.024 59.236 58.200 0.021 0.000 1.017 261 S CB -0.228 63.102 63.200 0.218 0.000 0.941 261 S HN 0.210 nan 8.310 nan 0.000 0.430 262 L N 1.540 122.605 121.223 -0.263 0.000 1.990 262 L HA -0.046 4.294 4.340 -0.000 0.000 0.213 262 L C 2.334 179.167 176.870 -0.062 0.000 1.072 262 L CA 2.040 56.657 54.840 -0.371 0.000 0.755 262 L CB -1.044 40.562 42.059 -0.754 0.000 0.889 262 L HN 0.497 nan 8.230 nan 0.000 0.432 263 L N -0.620 120.618 121.223 0.026 0.000 2.081 263 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 263 L C 2.749 179.723 176.870 0.173 0.000 1.080 263 L CA 2.271 57.192 54.840 0.134 0.000 0.754 263 L CB -0.967 41.096 42.059 0.007 0.000 0.893 263 L HN 0.651 nan 8.230 nan 0.000 0.433 264 S N -1.702 114.049 115.700 0.086 0.000 2.383 264 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 264 S C 1.838 176.453 174.600 0.025 0.000 1.026 264 S CA 1.047 59.187 58.200 -0.099 0.000 0.981 264 S CB -0.613 62.208 63.200 -0.631 0.000 0.818 264 S HN 0.691 nan 8.310 nan 0.000 0.472 265 Q N 0.231 120.072 119.800 0.068 0.000 2.230 265 Q HA 0.187 4.527 4.340 -0.000 0.000 0.202 265 Q C 2.097 178.195 176.000 0.164 0.000 0.963 265 Q CA 1.116 57.012 55.803 0.155 0.000 0.866 265 Q CB -0.323 28.501 28.738 0.144 0.000 0.931 265 Q HN 0.617 nan 8.270 nan 0.000 0.452 266 M N -0.217 119.456 119.600 0.123 0.000 2.447 266 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 266 M C 0.929 177.299 176.300 0.118 0.000 1.095 266 M CA 0.922 56.294 55.300 0.120 0.000 1.125 266 M CB 0.463 33.119 32.600 0.093 0.000 1.389 266 M HN 0.123 nan 8.290 nan 0.000 0.459 267 L N -0.664 120.606 121.223 0.079 0.000 3.017 267 L HA 0.186 4.526 4.340 -0.000 0.000 0.255 267 L C 0.335 177.343 176.870 0.230 0.000 1.247 267 L CA -0.425 54.410 54.840 -0.007 0.000 1.038 267 L CB -0.418 41.502 42.059 -0.231 0.000 1.380 267 L HN 0.169 nan 8.230 nan 0.000 0.548 268 H N -0.168 118.988 119.070 0.143 0.000 2.848 268 H HA -0.010 4.546 4.556 -0.000 0.000 0.317 268 H C 0.464 175.805 175.328 0.022 0.000 1.046 268 H CA 0.576 56.674 56.048 0.083 0.000 1.470 268 H CB 0.784 30.580 29.762 0.058 0.000 1.483 268 H HN 0.150 nan 8.280 nan 0.000 0.548 269 Y N 2.462 122.803 120.300 0.068 0.000 2.030 269 Y HA -0.282 4.268 4.550 -0.000 0.000 0.274 269 Y C 1.348 176.722 175.900 -0.878 0.000 1.153 269 Y CA 1.774 59.730 58.100 -0.242 0.000 1.115 269 Y CB -0.076 38.349 38.460 -0.058 0.000 0.969 269 Y HN 0.627 nan 8.280 nan 0.000 0.488 270 D N 1.686 121.780 120.400 -0.511 0.000 2.363 270 D HA 0.004 4.644 4.640 -0.000 0.000 0.263 270 D C -2.000 174.065 176.300 -0.392 0.000 1.258 270 D CA -1.758 51.711 54.000 -0.885 0.000 0.907 270 D CB 0.755 41.420 40.800 -0.225 0.000 1.107 270 D HN 0.054 nan 8.370 nan 0.000 0.495 271 P HA -0.072 nan 4.420 nan 0.000 0.261 271 P C -0.178 177.073 177.300 -0.081 0.000 1.297 271 P CA 0.703 63.711 63.100 -0.155 0.000 0.757 271 P CB 0.006 31.648 31.700 -0.097 0.000 1.149 272 N N -0.358 118.292 118.700 -0.084 0.000 2.273 272 N HA 0.071 4.811 4.740 -0.000 0.000 0.192 272 N C 1.204 176.658 175.510 -0.094 0.000 1.132 272 N CA -0.137 52.884 53.050 -0.048 0.000 0.887 272 N CB 0.380 38.869 38.487 0.004 0.000 1.048 272 N HN -0.072 nan 8.380 nan 0.000 0.490 273 K N 0.769 121.054 120.400 -0.191 0.000 2.374 273 K HA 0.149 4.469 4.320 -0.000 0.000 0.202 273 K C 0.190 176.504 176.600 -0.477 0.000 1.040 273 K CA -0.131 55.948 56.287 -0.346 0.000 1.085 273 K CB 0.723 32.940 32.500 -0.472 0.000 0.873 273 K HN 0.085 nan 8.250 nan 0.000 0.539 274 R N 1.791 122.129 120.500 -0.268 0.000 2.442 274 R HA 0.175 4.515 4.340 -0.000 0.000 0.291 274 R C 0.140 176.425 176.300 -0.025 0.000 1.069 274 R CA -0.168 55.881 56.100 -0.086 0.000 1.022 274 R CB 0.243 30.567 30.300 0.040 0.000 0.976 274 R HN 0.039 nan 8.270 nan 0.000 0.443 275 I N 3.286 123.876 120.570 0.032 0.000 2.932 275 I HA -0.133 4.037 4.170 -0.000 0.000 0.295 275 I C 0.243 176.409 176.117 0.083 0.000 1.227 275 I CA 0.793 62.133 61.300 0.066 0.000 1.429 275 I CB 0.667 38.735 38.000 0.112 0.000 1.339 275 I HN 0.832 nan 8.210 nan 0.000 0.589 276 S N 5.575 121.327 115.700 0.085 0.000 2.687 276 S HA 0.551 5.021 4.470 -0.000 0.000 0.283 276 S C 0.881 175.556 174.600 0.125 0.000 1.170 276 S CA -0.266 57.996 58.200 0.103 0.000 1.008 276 S CB 1.725 64.976 63.200 0.085 0.000 1.026 276 S HN 0.803 nan 8.310 nan 0.000 0.541 277 A N 1.637 124.547 122.820 0.150 0.000 1.883 277 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 277 A C 2.142 179.770 177.584 0.072 0.000 1.186 277 A CA 1.919 54.017 52.037 0.100 0.000 0.624 277 A CB -1.069 17.976 19.000 0.075 0.000 0.822 277 A HN 0.948 nan 8.150 nan 0.000 0.444 278 K N -0.559 119.890 120.400 0.082 0.000 2.074 278 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 278 K C 2.137 178.786 176.600 0.083 0.000 1.048 278 K CA 1.415 57.740 56.287 0.064 0.000 0.926 278 K CB -0.304 32.236 32.500 0.068 0.000 0.713 278 K HN 0.421 nan 8.250 nan 0.000 0.444 279 A N 0.618 123.499 122.820 0.102 0.000 1.929 279 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 279 A C 2.254 179.951 177.584 0.188 0.000 1.176 279 A CA 1.479 53.591 52.037 0.124 0.000 0.628 279 A CB -0.597 18.467 19.000 0.108 0.000 0.816 279 A HN 0.443 nan 8.150 nan 0.000 0.444 280 A N 0.016 122.958 122.820 0.203 0.000 1.940 280 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 280 A C 2.042 179.883 177.584 0.427 0.000 1.176 280 A CA 1.465 53.687 52.037 0.309 0.000 0.631 280 A CB -0.671 18.481 19.000 0.254 0.000 0.814 280 A HN 0.472 nan 8.150 nan 0.000 0.446 281 L N -1.153 120.206 121.223 0.226 0.000 2.349 281 L HA -0.175 4.165 4.340 -0.000 0.000 0.220 281 L C 2.420 179.486 176.870 0.326 0.000 1.130 281 L CA 0.836 55.762 54.840 0.144 0.000 0.791 281 L CB -0.236 41.790 42.059 -0.054 0.000 0.918 281 L HN 0.455 nan 8.230 nan 0.000 0.444 282 A N -2.675 120.331 122.820 0.310 0.000 2.387 282 A HA 0.035 4.355 4.320 -0.000 0.000 0.234 282 A C 0.666 178.431 177.584 0.302 0.000 1.253 282 A CA -0.296 51.900 52.037 0.265 0.000 0.894 282 A CB -0.383 18.716 19.000 0.165 0.000 0.963 282 A HN 0.256 nan 8.150 nan 0.000 0.508 283 H N 1.537 120.807 119.070 0.335 0.000 2.732 283 H HA 0.132 4.688 4.556 -0.000 0.000 0.351 283 H C -1.568 173.901 175.328 0.236 0.000 1.090 283 H CA -1.172 55.034 56.048 0.262 0.000 1.431 283 H CB 1.428 31.351 29.762 0.268 0.000 1.447 283 H HN 0.085 nan 8.280 nan 0.000 0.582 284 P HA -0.199 nan 4.420 nan 0.000 0.221 284 P C 1.520 178.957 177.300 0.229 0.000 1.145 284 P CA 0.804 63.989 63.100 0.142 0.000 0.795 284 P CB -0.217 31.491 31.700 0.013 0.000 0.775 285 F N 0.400 120.507 119.950 0.262 0.000 2.250 285 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 285 F C 1.377 176.987 175.800 -0.317 0.000 1.077 285 F CA 1.282 59.205 58.000 -0.127 0.000 1.348 285 F CB -0.641 38.083 39.000 -0.459 0.000 1.040 285 F HN -0.249 nan 8.300 nan 0.000 0.509 286 F N -0.089 119.845 119.950 -0.027 0.000 2.695 286 F HA 0.158 4.685 4.527 -0.000 0.000 0.303 286 F C 2.027 177.677 175.800 -0.251 0.000 1.091 286 F CA -0.003 57.840 58.000 -0.262 0.000 1.300 286 F CB -0.854 38.069 39.000 -0.127 0.000 1.071 286 F HN -0.046 nan 8.300 nan 0.000 0.578 287 Q N 0.479 120.285 119.800 0.010 0.000 2.308 287 Q HA -0.197 4.143 4.340 -0.000 0.000 0.209 287 Q C 0.853 176.808 176.000 -0.074 0.000 0.985 287 Q CA 1.611 57.406 55.803 -0.013 0.000 0.881 287 Q CB -0.214 28.527 28.738 0.004 0.000 0.917 287 Q HN 0.501 nan 8.270 nan 0.000 0.443 288 D N -1.009 119.312 120.400 -0.131 0.000 2.571 288 D HA 0.037 4.677 4.640 -0.000 0.000 0.239 288 D C 0.184 176.376 176.300 -0.179 0.000 1.267 288 D CA -0.253 53.666 54.000 -0.134 0.000 0.823 288 D CB -0.137 40.593 40.800 -0.116 0.000 1.056 288 D HN -0.070 nan 8.370 nan 0.000 0.494 289 V N 1.736 121.502 119.914 -0.247 0.000 2.901 289 V HA 0.315 4.434 4.120 -0.000 0.000 0.307 289 V C 0.429 176.393 176.094 -0.217 0.000 1.084 289 V CA 1.052 63.175 62.300 -0.294 0.000 1.184 289 V CB 0.878 32.359 31.823 -0.571 0.000 0.941 289 V HN 0.602 nan 8.190 nan 0.000 0.493 290 T N 3.070 117.535 114.554 -0.148 0.000 2.669 290 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 290 T C -0.514 174.162 174.700 -0.040 0.000 1.019 290 T CA -0.783 61.268 62.100 -0.083 0.000 1.039 290 T CB 1.545 70.374 68.868 -0.064 0.000 1.374 290 T HN 0.656 nan 8.240 nan 0.000 0.523 291 K N 1.799 122.191 120.400 -0.013 0.000 2.682 291 K HA 0.427 4.747 4.320 -0.000 0.000 0.189 291 K C -2.638 173.963 176.600 0.001 0.000 1.062 291 K CA -1.748 54.547 56.287 0.014 0.000 0.997 291 K CB 0.221 32.742 32.500 0.035 0.000 1.405 291 K HN 0.383 nan 8.250 nan 0.000 0.588 292 P HA -0.028 nan 4.420 nan 0.000 0.272 292 P C -0.694 176.593 177.300 -0.023 0.000 1.230 292 P CA -0.605 62.478 63.100 -0.030 0.000 0.788 292 P CB 0.804 32.470 31.700 -0.056 0.000 0.949 293 V N -0.588 119.325 119.914 -0.003 0.000 2.612 293 V HA 0.733 4.853 4.120 -0.000 0.000 0.301 293 V C -2.161 173.941 176.094 0.013 0.000 1.046 293 V CA -1.979 60.327 62.300 0.009 0.000 0.946 293 V CB 1.070 32.907 31.823 0.024 0.000 1.003 293 V HN 0.488 nan 8.190 nan 0.000 0.459 294 P HA 0.344 nan 4.420 nan 0.000 0.283 294 P C -1.292 176.065 177.300 0.094 0.000 1.278 294 P CA -0.394 62.724 63.100 0.029 0.000 0.834 294 P CB 1.192 32.760 31.700 -0.220 0.000 1.150 295 H N 1.523 120.681 119.070 0.147 0.000 2.623 295 H HA 0.379 4.935 4.556 -0.000 0.000 0.299 295 H C -0.976 174.464 175.328 0.186 0.000 1.052 295 H CA -0.440 55.686 56.048 0.130 0.000 1.231 295 H CB 0.003 29.836 29.762 0.118 0.000 1.389 295 H HN 0.247 nan 8.280 nan 0.000 0.469 296 L N 5.399 126.462 121.223 -0.268 0.000 2.309 296 L HA 0.488 4.828 4.340 -0.000 0.000 0.282 296 L C 0.579 177.340 176.870 -0.182 0.000 1.036 296 L CA -0.877 53.902 54.840 -0.101 0.000 0.806 296 L CB 1.774 43.792 42.059 -0.067 0.000 1.220 296 L HN 0.442 nan 8.230 nan 0.000 0.429 297 R N 2.362 122.856 120.500 -0.011 0.000 2.357 297 R HA 0.371 4.711 4.340 -0.000 0.000 0.296 297 R C 0.115 176.420 176.300 0.009 0.000 1.052 297 R CA -0.796 55.310 56.100 0.010 0.000 0.988 297 R CB 1.428 31.777 30.300 0.081 0.000 1.025 297 R HN 0.530 nan 8.270 nan 0.000 0.469 298 L N 0.000 121.220 121.223 -0.005 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.842 54.840 0.003 0.000 0.813 298 L CB 0.000 42.064 42.059 0.009 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502