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 2vr5_1_A DATA FIRST_RESID 4 DATA SEQUENCE FFRTRDRPLR PGDPYPLGSN WIEDDDGVNF SLFSENAEKV ELLLYSLTNQ DATA SEQUENCE KYPKEIIEVK NKTGDIWHVF VPGLRPGQLY AYRVYGPYKP ELGLRFNPNK DATA SEQUENCE VLIDPYAKAI NGSVIWNDAV FGYKIGDQNQ DLTYDERDSG EYVPKSVVIN DATA SEQUENCE PYFEWDDEDF IKGKKVPLKD TVIYEVHVKG FTKLRLDLPE NIRGTYEGLA DATA SEQUENCE SEQMISYLKD LGITTVELMP VFHFIDQRFL TDKGLTNYWG YDPINFFSPE DATA SEQUENCE cRYSSTGcLG GQVLSFKKMV NELHNAGIEV IIDVVYNHTA EGNHLGPTLS DATA SEQUENCE FRGIDNTAYY MLQPDNKRYY LDFTGTGNTL NLSHPRVIQM VLDSLRYWVT DATA SEQUENCE EMHVDGFRFD LAAALARELY SVNMLNTFFI ALQQDPILSQ VKLIAEPWDV DATA SEQUENCE GQGGYQVGNF PYQWAEWNGK YRDSIRRFWR GEALPYSEIA NRLLGSPDIY DATA SEQUENCE LGNNKTPFAS INYVTSHDGF TLEDLVSYNQ KHNEANGFNN QDGMNENYSW DATA SEQUENCE NcGAEGPTND QNVVIcREKQ KRNFMITLLV SQGTPMILGG DELSRTQRGN DATA SEQUENCE NNAFCQDNEI TWFDWNLDER KSKFLEFVKK MIQFYRAHPA FRRERYFQGK DATA SEQUENCE KLFGMPLKDV TFYTLEGREV DEKTWSSPTQ LVIFVLEGSV MDEINMYGER DATA SEQUENCE IADDSFLIIL NANPNNVKVK FPKGKWELVI SSYLREIKPE ERIIEGEKEL DATA SEQUENCE EIEGRTALVY RRIEL 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.745 175.800 -0.091 0.000 0.967 4 F CA 0.000 58.039 58.000 0.065 0.000 1.383 4 F CB 0.000 38.963 39.000 -0.062 0.000 1.145 5 F N 1.425 121.568 119.950 0.321 0.000 2.790 5 F HA 0.788 5.316 4.527 0.001 0.000 0.386 5 F C 0.405 176.304 175.800 0.165 0.000 1.206 5 F CA -1.151 56.951 58.000 0.171 0.000 1.109 5 F CB 0.715 39.765 39.000 0.083 0.000 1.469 5 F HN 0.119 nan 8.300 nan 0.000 0.513 6 R N -1.222 119.465 120.500 0.311 0.000 2.930 6 R HA 0.372 4.712 4.340 0.001 0.000 0.257 6 R C 0.494 176.871 176.300 0.128 0.000 1.107 6 R CA -0.221 55.987 56.100 0.180 0.000 0.999 6 R CB 1.410 31.783 30.300 0.122 0.000 1.209 6 R HN 0.659 nan 8.270 nan 0.000 0.486 7 T N -0.349 114.251 114.554 0.077 0.000 3.163 7 T HA 0.007 4.357 4.350 0.001 0.000 0.260 7 T C 0.613 175.340 174.700 0.044 0.000 1.156 7 T CA 1.381 63.506 62.100 0.042 0.000 1.072 7 T CB -0.064 68.815 68.868 0.018 0.000 0.937 7 T HN 0.562 nan 8.240 nan 0.000 0.528 8 R N -0.834 119.703 120.500 0.062 0.000 2.509 8 R HA 0.327 4.668 4.340 0.001 0.000 0.297 8 R C 0.531 176.873 176.300 0.070 0.000 0.951 8 R CA -0.162 55.971 56.100 0.056 0.000 1.103 8 R CB 0.209 30.538 30.300 0.048 0.000 1.283 8 R HN 0.200 nan 8.270 nan 0.000 0.534 9 D N 1.843 122.304 120.400 0.101 0.000 2.413 9 D HA 0.022 4.662 4.640 0.001 0.000 0.237 9 D C -0.348 176.006 176.300 0.089 0.000 1.171 9 D CA 0.249 54.327 54.000 0.131 0.000 0.839 9 D CB 0.367 41.322 40.800 0.257 0.000 0.950 9 D HN 0.107 nan 8.370 nan 0.000 0.499 10 R N 1.857 122.387 120.500 0.051 0.000 2.483 10 R HA 0.301 4.641 4.340 0.001 0.000 0.303 10 R C -3.045 173.272 176.300 0.029 0.000 0.987 10 R CA -1.691 54.419 56.100 0.017 0.000 0.881 10 R CB 1.777 32.069 30.300 -0.015 0.000 1.177 10 R HN -0.230 nan 8.270 nan 0.000 0.451 11 P HA 0.134 nan 4.420 nan 0.000 0.264 11 P C -0.769 176.573 177.300 0.070 0.000 1.193 11 P CA 0.210 63.342 63.100 0.053 0.000 0.763 11 P CB 0.523 32.254 31.700 0.051 0.000 0.810 12 L N 2.944 124.227 121.223 0.100 0.000 2.568 12 L HA 0.551 4.891 4.340 0.001 0.000 0.257 12 L C 0.035 177.018 176.870 0.189 0.000 1.024 12 L CA -0.940 53.983 54.840 0.138 0.000 0.854 12 L CB 2.533 44.651 42.059 0.098 0.000 1.460 12 L HN 0.283 nan 8.230 nan 0.000 0.409 13 R N 0.711 121.379 120.500 0.280 0.000 2.867 13 R HA 0.405 4.745 4.340 0.001 0.000 0.268 13 R C -1.975 174.463 176.300 0.229 0.000 1.014 13 R CA -1.547 54.691 56.100 0.230 0.000 0.946 13 R CB 1.900 32.320 30.300 0.200 0.000 1.208 13 R HN 0.301 nan 8.270 nan 0.000 0.477 14 P HA -0.074 nan 4.420 nan 0.000 0.219 14 P C 0.592 178.109 177.300 0.360 0.000 1.150 14 P CA 1.426 64.651 63.100 0.207 0.000 0.814 14 P CB 0.342 32.142 31.700 0.167 0.000 0.787 15 G N 0.164 109.127 108.800 0.271 0.000 2.681 15 G HA2 -0.141 3.819 3.960 0.001 0.000 0.220 15 G HA3 -0.141 3.819 3.960 0.001 0.000 0.220 15 G C -1.339 173.634 174.900 0.122 0.000 1.353 15 G CA -0.269 44.996 45.100 0.274 0.000 0.872 15 G HN 0.282 nan 8.290 nan 0.000 0.557 16 D N 0.055 120.475 120.400 0.034 0.000 2.671 16 D HA 0.501 5.142 4.640 0.001 0.000 0.232 16 D C -1.889 174.311 176.300 -0.168 0.000 1.114 16 D CA -1.201 52.702 54.000 -0.162 0.000 0.858 16 D CB 2.375 43.152 40.800 -0.039 0.000 1.544 16 D HN 0.037 nan 8.370 nan 0.000 0.471 17 P HA 0.007 nan 4.420 nan 0.000 0.237 17 P C -0.644 176.713 177.300 0.095 0.000 1.178 17 P CA 0.621 63.689 63.100 -0.054 0.000 0.766 17 P CB 0.101 31.762 31.700 -0.064 0.000 0.876 18 Y N -0.372 119.893 120.300 -0.058 0.000 2.358 18 Y HA 0.481 5.031 4.550 0.001 0.000 0.324 18 Y C -3.081 172.806 175.900 -0.022 0.000 1.123 18 Y CA -2.854 55.227 58.100 -0.033 0.000 1.067 18 Y CB 0.941 39.386 38.460 -0.025 0.000 1.230 18 Y HN -0.210 nan 8.280 nan 0.000 0.429 19 P HA 0.452 nan 4.420 nan 0.000 0.281 19 P C -0.892 176.192 177.300 -0.360 0.000 1.281 19 P CA -0.632 62.004 63.100 -0.773 0.000 0.811 19 P CB 1.137 32.469 31.700 -0.613 0.000 1.154 20 L N 0.408 121.365 121.223 -0.443 0.000 2.426 20 L HA 0.447 4.787 4.340 0.001 0.000 0.271 20 L C 1.280 177.907 176.870 -0.404 0.000 1.169 20 L CA 0.767 55.255 54.840 -0.587 0.000 0.836 20 L CB -0.495 40.724 42.059 -1.399 0.000 1.112 20 L HN 0.780 nan 8.230 nan 0.000 0.465 21 G N 2.252 110.937 108.800 -0.193 0.000 2.451 21 G HA2 -0.165 3.796 3.960 0.001 0.000 0.208 21 G HA3 -0.165 3.796 3.960 0.001 0.000 0.208 21 G C -0.642 174.286 174.900 0.048 0.000 1.248 21 G CA -0.241 44.892 45.100 0.056 0.000 0.989 21 G HN 0.889 nan 8.290 nan 0.000 0.559 22 S N -0.551 115.142 115.700 -0.012 0.000 2.482 22 S HA 0.761 5.231 4.470 0.001 0.000 0.303 22 S C -0.675 173.794 174.600 -0.218 0.000 1.091 22 S CA -0.572 57.453 58.200 -0.292 0.000 1.057 22 S CB 1.942 64.818 63.200 -0.539 0.000 1.031 22 S HN 0.913 nan 8.310 nan 0.000 0.485 23 N N 1.831 120.381 118.700 -0.250 0.000 2.504 23 N HA 0.232 4.972 4.740 0.001 0.000 0.280 23 N C -1.365 174.138 175.510 -0.012 0.000 1.052 23 N CA -0.521 52.480 53.050 -0.082 0.000 0.887 23 N CB 1.065 39.517 38.487 -0.059 0.000 1.323 23 N HN 0.863 nan 8.380 nan 0.000 0.509 24 W N 6.394 127.630 121.300 -0.107 0.000 2.655 24 W HA 0.217 4.877 4.660 0.001 0.000 0.333 24 W C -1.271 175.250 176.519 0.003 0.000 1.382 24 W CA -0.233 57.076 57.345 -0.061 0.000 1.398 24 W CB 0.238 29.674 29.460 -0.039 0.000 1.481 24 W HN 0.467 nan 8.180 nan 0.000 0.526 25 I N 6.623 126.869 120.570 -0.540 0.000 2.268 25 I HA -0.080 4.090 4.170 0.001 0.000 0.290 25 I C 1.481 176.984 176.117 -1.024 0.000 1.125 25 I CA 0.014 60.962 61.300 -0.586 0.000 1.236 25 I CB 0.614 38.506 38.000 -0.181 0.000 1.469 25 I HN 0.586 nan 8.210 nan 0.000 0.512 26 E N 3.289 122.697 120.200 -1.320 0.000 2.114 26 E HA -0.295 4.055 4.350 0.001 0.000 0.199 26 E C 1.180 177.477 176.600 -0.506 0.000 1.008 26 E CA 2.059 57.793 56.400 -1.110 0.000 0.810 26 E CB 0.252 29.714 29.700 -0.396 0.000 0.739 26 E HN 0.561 nan 8.360 nan 0.000 0.456 27 D N 0.139 120.334 120.400 -0.343 0.000 2.123 27 D HA -0.095 4.546 4.640 0.001 0.000 0.200 27 D C 0.682 176.905 176.300 -0.128 0.000 0.976 27 D CA 1.174 55.069 54.000 -0.175 0.000 0.831 27 D CB -0.162 40.551 40.800 -0.144 0.000 0.974 27 D HN 0.251 nan 8.370 nan 0.000 0.469 28 D N 0.508 120.820 120.400 -0.146 0.000 2.336 28 D HA -0.001 4.639 4.640 0.001 0.000 0.228 28 D C -0.284 176.091 176.300 0.125 0.000 1.120 28 D CA -0.077 53.896 54.000 -0.046 0.000 0.839 28 D CB -0.298 40.388 40.800 -0.190 0.000 0.932 28 D HN 0.025 nan 8.370 nan 0.000 0.509 29 D N 0.485 120.897 120.400 0.021 0.000 2.894 29 D HA -0.132 4.508 4.640 0.001 0.000 0.216 29 D C 0.283 176.751 176.300 0.279 0.000 1.245 29 D CA 1.301 55.399 54.000 0.165 0.000 0.728 29 D CB -0.798 40.116 40.800 0.189 0.000 0.924 29 D HN 0.389 nan 8.370 nan 0.000 0.395 30 G N -1.253 107.704 108.800 0.261 0.000 2.489 30 G HA2 0.558 4.519 3.960 0.001 0.000 0.305 30 G HA3 0.558 4.519 3.960 0.001 0.000 0.305 30 G C -1.360 173.530 174.900 -0.017 0.000 1.311 30 G CA -0.093 45.007 45.100 -0.000 0.000 0.813 30 G HN 0.450 nan 8.290 nan 0.000 0.480 31 V N 0.953 120.621 119.914 -0.410 0.000 2.769 31 V HA 0.584 4.705 4.120 0.001 0.000 0.312 31 V C -0.634 175.227 176.094 -0.388 0.000 1.061 31 V CA -1.095 61.016 62.300 -0.316 0.000 0.931 31 V CB 1.992 33.536 31.823 -0.465 0.000 1.010 31 V HN 0.704 nan 8.190 nan 0.000 0.433 32 N N 2.734 121.292 118.700 -0.237 0.000 2.446 32 N HA 0.429 5.170 4.740 0.001 0.000 0.265 32 N C -1.724 173.646 175.510 -0.232 0.000 0.975 32 N CA -0.279 52.766 53.050 -0.009 0.000 0.928 32 N CB 1.082 39.664 38.487 0.158 0.000 1.160 32 N HN 0.464 nan 8.380 nan 0.000 0.495 33 F N 1.392 121.405 119.950 0.105 0.000 2.361 33 F HA 0.270 4.798 4.527 0.001 0.000 0.364 33 F C 0.921 176.845 175.800 0.207 0.000 1.120 33 F CA -0.483 57.585 58.000 0.112 0.000 1.102 33 F CB 1.517 40.564 39.000 0.080 0.000 1.183 33 F HN 0.216 nan 8.300 nan 0.000 0.476 34 S N 4.542 120.422 115.700 0.299 0.000 2.473 34 S HA 0.796 5.267 4.470 0.001 0.000 0.307 34 S C -1.387 173.316 174.600 0.173 0.000 1.094 34 S CA -0.518 57.821 58.200 0.232 0.000 1.070 34 S CB 0.990 64.242 63.200 0.087 0.000 1.019 34 S HN 0.555 nan 8.310 nan 0.000 0.480 35 L N 5.483 126.818 121.223 0.187 0.000 2.516 35 L HA 0.620 4.960 4.340 0.001 0.000 0.267 35 L C -1.243 175.766 176.870 0.232 0.000 0.957 35 L CA -0.589 54.286 54.840 0.058 0.000 0.860 35 L CB 1.495 43.394 42.059 -0.266 0.000 1.265 35 L HN 0.676 nan 8.230 nan 0.000 0.403 36 F N 4.971 124.977 119.950 0.093 0.000 2.456 36 F HA 0.689 5.217 4.527 0.001 0.000 0.358 36 F C -0.013 175.946 175.800 0.265 0.000 1.095 36 F CA 0.317 58.431 58.000 0.189 0.000 1.216 36 F CB 1.020 40.106 39.000 0.143 0.000 1.125 36 F HN 0.568 nan 8.300 nan 0.000 0.549 37 S N 4.552 120.054 115.700 -0.330 0.000 2.511 37 S HA 0.174 4.644 4.470 0.001 0.000 0.283 37 S C -0.227 174.393 174.600 0.034 0.000 1.078 37 S CA -0.193 57.728 58.200 -0.464 0.000 0.994 37 S CB 0.189 63.355 63.200 -0.058 0.000 1.171 37 S HN 0.888 nan 8.310 nan 0.000 0.444 38 E N 3.167 123.323 120.200 -0.074 0.000 2.474 38 E HA 0.241 4.592 4.350 0.001 0.000 0.195 38 E C 0.560 177.278 176.600 0.196 0.000 1.039 38 E CA -0.113 56.393 56.400 0.176 0.000 0.881 38 E CB 0.086 29.969 29.700 0.305 0.000 0.970 38 E HN 0.445 nan 8.360 nan 0.000 0.486 39 N N 0.768 119.609 118.700 0.234 0.000 2.382 39 N HA 0.161 4.902 4.740 0.001 0.000 0.200 39 N C 0.158 175.722 175.510 0.089 0.000 1.122 39 N CA 0.502 53.718 53.050 0.276 0.000 0.870 39 N CB 0.844 39.619 38.487 0.479 0.000 1.176 39 N HN 0.200 nan 8.380 nan 0.000 0.474 40 A N 1.249 124.117 122.820 0.079 0.000 2.520 40 A HA 0.043 4.364 4.320 0.001 0.000 0.235 40 A C 0.932 178.526 177.584 0.016 0.000 1.065 40 A CA 0.376 52.258 52.037 -0.260 0.000 0.764 40 A CB 0.328 19.204 19.000 -0.207 0.000 1.002 40 A HN 0.258 nan 8.150 nan 0.000 0.502 41 E N 0.265 120.372 120.200 -0.156 0.000 2.340 41 E HA 0.120 4.470 4.350 0.001 0.000 0.198 41 E C 0.370 177.018 176.600 0.080 0.000 0.961 41 E CA 0.462 56.895 56.400 0.056 0.000 0.905 41 E CB 0.369 30.053 29.700 -0.028 0.000 0.884 41 E HN 0.614 nan 8.360 nan 0.000 0.491 42 K N 0.474 120.732 120.400 -0.237 0.000 2.551 42 K HA 0.431 4.752 4.320 0.001 0.000 0.269 42 K C -1.934 174.269 176.600 -0.661 0.000 0.949 42 K CA -0.541 55.485 56.287 -0.435 0.000 0.849 42 K CB 2.451 34.688 32.500 -0.439 0.000 1.411 42 K HN -0.171 nan 8.250 nan 0.000 0.432 43 V N 2.079 121.586 119.914 -0.679 0.000 2.760 43 V HA 0.417 4.538 4.120 0.001 0.000 0.309 43 V C -1.224 174.734 176.094 -0.226 0.000 1.077 43 V CA -0.784 61.223 62.300 -0.488 0.000 0.910 43 V CB 1.963 33.343 31.823 -0.738 0.000 1.008 43 V HN 0.795 nan 8.190 nan 0.000 0.424 44 E N 2.752 122.909 120.200 -0.072 0.000 2.218 44 E HA 0.447 4.797 4.350 0.001 0.000 0.263 44 E C -1.311 175.253 176.600 -0.061 0.000 0.879 44 E CA -0.909 55.454 56.400 -0.061 0.000 0.762 44 E CB 2.445 32.128 29.700 -0.029 0.000 1.166 44 E HN 0.495 nan 8.360 nan 0.000 0.415 45 L N 4.408 125.534 121.223 -0.162 0.000 2.360 45 L HA 0.208 4.548 4.340 0.001 0.000 0.276 45 L C -1.368 175.317 176.870 -0.308 0.000 1.121 45 L CA -0.007 54.615 54.840 -0.364 0.000 0.845 45 L CB 0.266 42.033 42.059 -0.487 0.000 1.143 45 L HN 0.442 nan 8.230 nan 0.000 0.452 46 L N 6.672 127.714 121.223 -0.301 0.000 2.294 46 L HA 0.447 4.787 4.340 0.001 0.000 0.283 46 L C -0.587 176.150 176.870 -0.221 0.000 1.015 46 L CA 0.105 54.797 54.840 -0.246 0.000 0.831 46 L CB 1.264 43.251 42.059 -0.120 0.000 1.217 46 L HN 0.490 nan 8.230 nan 0.000 0.420 47 L N 4.412 125.457 121.223 -0.296 0.000 2.275 47 L HA 0.458 4.799 4.340 0.001 0.000 0.288 47 L C -0.647 176.055 176.870 -0.280 0.000 1.046 47 L CA -0.438 54.297 54.840 -0.175 0.000 0.805 47 L CB 0.603 42.569 42.059 -0.156 0.000 1.193 47 L HN 0.413 nan 8.230 nan 0.000 0.426 48 Y N 0.525 120.806 120.300 -0.031 0.000 2.631 48 Y HA 0.569 5.119 4.550 0.001 0.000 0.328 48 Y C 0.611 176.497 175.900 -0.023 0.000 1.118 48 Y CA -0.681 57.402 58.100 -0.027 0.000 1.206 48 Y CB 1.951 40.392 38.460 -0.033 0.000 1.337 48 Y HN 0.573 nan 8.280 nan 0.000 0.515 49 S N -0.117 115.674 115.700 0.152 0.000 2.638 49 S HA 0.396 4.867 4.470 0.001 0.000 0.302 49 S C 0.428 175.059 174.600 0.053 0.000 1.096 49 S CA -0.811 57.429 58.200 0.067 0.000 0.953 49 S CB 1.034 64.248 63.200 0.024 0.000 1.107 49 S HN 0.548 nan 8.310 nan 0.000 0.503 50 L N 1.523 122.757 121.223 0.020 0.000 1.976 50 L HA -0.192 4.148 4.340 0.001 0.000 0.223 50 L C 2.999 179.867 176.870 -0.004 0.000 1.081 50 L CA 2.992 57.833 54.840 0.002 0.000 0.784 50 L CB -2.578 39.476 42.059 -0.008 0.000 0.896 50 L HN 1.076 nan 8.230 nan 0.000 0.438 51 T N -2.430 112.120 114.554 -0.006 0.000 2.698 51 T HA -0.098 4.252 4.350 0.001 0.000 0.260 51 T C 1.151 175.842 174.700 -0.016 0.000 1.044 51 T CA 0.358 62.449 62.100 -0.016 0.000 1.149 51 T CB -0.407 68.448 68.868 -0.021 0.000 0.864 51 T HN 0.132 nan 8.240 nan 0.000 0.419 52 N N 2.000 120.700 118.700 -0.001 0.000 2.414 52 N HA 0.183 4.924 4.740 0.001 0.000 0.256 52 N C -0.265 175.298 175.510 0.088 0.000 1.029 52 N CA -0.135 52.919 53.050 0.007 0.000 0.948 52 N CB 1.006 39.486 38.487 -0.012 0.000 1.102 52 N HN 0.526 nan 8.380 nan 0.000 0.496 53 Q N 2.229 122.064 119.800 0.058 0.000 2.086 53 Q HA 0.173 4.513 4.340 0.001 0.000 0.220 53 Q C 0.333 176.364 176.000 0.052 0.000 0.792 53 Q CA -0.083 55.755 55.803 0.057 0.000 1.062 53 Q CB 0.744 29.415 28.738 -0.113 0.000 1.198 53 Q HN 0.534 nan 8.270 nan 0.000 0.466 54 K N -0.269 120.209 120.400 0.131 0.000 2.284 54 K HA 0.117 4.438 4.320 0.001 0.000 0.198 54 K C 0.074 177.134 176.600 0.767 0.000 1.048 54 K CA 0.747 57.174 56.287 0.233 0.000 0.987 54 K CB 0.723 33.232 32.500 0.015 0.000 0.800 54 K HN 0.088 nan 8.250 nan 0.000 0.486 55 Y N 0.228 120.625 120.300 0.161 0.000 2.524 55 Y HA 0.266 4.817 4.550 0.001 0.000 0.347 55 Y C -2.520 173.263 175.900 -0.194 0.000 1.005 55 Y CA -3.355 54.775 58.100 0.050 0.000 1.025 55 Y CB 1.835 40.278 38.460 -0.030 0.000 1.275 55 Y HN -0.269 nan 8.280 nan 0.000 0.460 56 P HA -0.079 nan 4.420 nan 0.000 0.256 56 P C 0.500 177.622 177.300 -0.297 0.000 1.173 56 P CA 0.494 63.192 63.100 -0.670 0.000 0.768 56 P CB 0.606 32.043 31.700 -0.438 0.000 0.758 57 K N 2.816 123.050 120.400 -0.277 0.000 2.052 57 K HA -0.215 4.105 4.320 0.001 0.000 0.215 57 K C 0.615 177.119 176.600 -0.160 0.000 1.053 57 K CA 1.711 57.905 56.287 -0.156 0.000 0.934 57 K CB 0.197 32.626 32.500 -0.119 0.000 0.717 57 K HN 0.552 nan 8.250 nan 0.000 0.450 58 E N -0.913 119.159 120.200 -0.213 0.000 2.390 58 E HA 0.336 4.687 4.350 0.001 0.000 0.277 58 E C -1.583 174.894 176.600 -0.205 0.000 0.939 58 E CA -0.608 55.686 56.400 -0.177 0.000 0.769 58 E CB 1.566 31.177 29.700 -0.149 0.000 1.251 58 E HN 0.110 nan 8.360 nan 0.000 0.450 59 I N 4.165 124.640 120.570 -0.158 0.000 2.466 59 I HA 0.321 4.491 4.170 0.001 0.000 0.279 59 I C -0.868 175.175 176.117 -0.123 0.000 1.033 59 I CA -0.668 60.542 61.300 -0.150 0.000 1.123 59 I CB 1.026 38.955 38.000 -0.117 0.000 1.237 59 I HN 0.382 nan 8.210 nan 0.000 0.460 60 I N 5.141 125.624 120.570 -0.146 0.000 2.396 60 I HA 0.196 4.367 4.170 0.001 0.000 0.292 60 I C 0.564 176.619 176.117 -0.104 0.000 0.999 60 I CA -0.148 61.083 61.300 -0.115 0.000 1.310 60 I CB 1.050 38.971 38.000 -0.131 0.000 1.404 60 I HN 0.531 nan 8.210 nan 0.000 0.496 61 E N 5.535 125.692 120.200 -0.071 0.000 2.089 61 E HA 0.272 4.623 4.350 0.001 0.000 0.284 61 E C -1.045 175.544 176.600 -0.018 0.000 1.023 61 E CA -0.665 55.693 56.400 -0.069 0.000 0.819 61 E CB 0.930 30.584 29.700 -0.076 0.000 1.076 61 E HN 0.406 nan 8.360 nan 0.000 0.396 62 V N 6.354 126.270 119.914 0.003 0.000 2.420 62 V HA -0.050 4.070 4.120 0.001 0.000 0.274 62 V C 1.151 177.344 176.094 0.165 0.000 1.003 62 V CA 0.776 63.134 62.300 0.096 0.000 1.092 62 V CB 0.202 32.122 31.823 0.162 0.000 1.002 62 V HN 0.728 nan 8.190 nan 0.000 0.473 63 K N 2.529 122.993 120.400 0.107 0.000 2.370 63 K HA 0.163 4.484 4.320 0.001 0.000 0.194 63 K C 0.388 177.007 176.600 0.031 0.000 1.070 63 K CA -0.013 56.331 56.287 0.095 0.000 0.998 63 K CB 0.381 32.908 32.500 0.045 0.000 0.911 63 K HN 0.697 nan 8.250 nan 0.000 0.533 64 N N 1.483 120.142 118.700 -0.067 0.000 2.515 64 N HA 0.120 4.861 4.740 0.001 0.000 0.279 64 N C -0.855 174.384 175.510 -0.450 0.000 1.164 64 N CA -0.256 52.628 53.050 -0.277 0.000 0.982 64 N CB 1.032 39.276 38.487 -0.405 0.000 1.170 64 N HN -0.135 nan 8.380 nan 0.000 0.474 65 K N 0.556 120.708 120.400 -0.413 0.000 2.739 65 K HA 0.159 4.480 4.320 0.001 0.000 0.288 65 K C -1.625 174.926 176.600 -0.082 0.000 1.142 65 K CA -0.340 55.733 56.287 -0.357 0.000 1.060 65 K CB 0.541 32.585 32.500 -0.759 0.000 1.338 65 K HN 0.497 nan 8.250 nan 0.000 0.514 66 T N 2.925 117.614 114.554 0.224 0.000 2.782 66 T HA 0.388 4.738 4.350 0.001 0.000 0.298 66 T C 0.835 175.562 174.700 0.045 0.000 0.944 66 T CA 0.867 63.052 62.100 0.143 0.000 1.001 66 T CB 0.888 69.832 68.868 0.127 0.000 0.932 66 T HN 0.929 nan 8.240 nan 0.000 0.524 67 G N 4.788 113.582 108.800 -0.010 0.000 2.557 67 G HA2 -0.290 3.670 3.960 0.001 0.000 0.292 67 G HA3 -0.290 3.670 3.960 0.001 0.000 0.292 67 G C 0.147 175.027 174.900 -0.034 0.000 1.162 67 G CA 0.231 45.327 45.100 -0.007 0.000 0.964 67 G HN 0.773 nan 8.290 nan 0.000 0.541 68 D N 0.934 121.371 120.400 0.063 0.000 2.755 68 D HA 0.457 5.098 4.640 0.001 0.000 0.257 68 D C 0.379 176.811 176.300 0.219 0.000 1.291 68 D CA -0.082 53.995 54.000 0.128 0.000 0.836 68 D CB -0.207 40.791 40.800 0.328 0.000 1.059 68 D HN 0.621 nan 8.370 nan 0.000 0.486 69 I N 1.080 121.703 120.570 0.088 0.000 2.503 69 I HA 0.221 4.392 4.170 0.001 0.000 0.282 69 I C -0.982 175.255 176.117 0.200 0.000 1.059 69 I CA -1.018 60.426 61.300 0.239 0.000 1.081 69 I CB 0.938 39.091 38.000 0.255 0.000 1.210 69 I HN -0.146 nan 8.210 nan 0.000 0.450 70 W N 5.561 126.940 121.300 0.133 0.000 2.253 70 W HA 0.391 5.052 4.660 0.001 0.000 0.322 70 W C 0.345 176.949 176.519 0.141 0.000 1.342 70 W CA -0.177 57.198 57.345 0.050 0.000 1.218 70 W CB -0.298 29.172 29.460 0.016 0.000 1.205 70 W HN 0.486 nan 8.180 nan 0.000 0.551 71 H N -0.202 119.052 119.070 0.306 0.000 2.806 71 H HA 0.806 5.362 4.556 0.001 0.000 0.367 71 H C -1.592 173.887 175.328 0.252 0.000 1.136 71 H CA -1.504 54.700 56.048 0.260 0.000 1.178 71 H CB 1.698 31.572 29.762 0.187 0.000 1.718 71 H HN 0.424 nan 8.280 nan 0.000 0.540 72 V N 3.326 123.462 119.914 0.369 0.000 3.114 72 V HA 0.572 4.693 4.120 0.001 0.000 0.308 72 V C -1.835 174.508 176.094 0.415 0.000 1.168 72 V CA -1.089 61.403 62.300 0.320 0.000 1.015 72 V CB 2.244 34.192 31.823 0.209 0.000 1.050 72 V HN 0.809 nan 8.190 nan 0.000 0.433 73 F N 5.270 125.340 119.950 0.201 0.000 2.445 73 F HA 0.726 5.254 4.527 0.001 0.000 0.348 73 F C -0.724 175.168 175.800 0.155 0.000 1.125 73 F CA -0.544 57.558 58.000 0.169 0.000 0.983 73 F CB 1.648 40.706 39.000 0.097 0.000 1.198 73 F HN 0.333 nan 8.300 nan 0.000 0.436 74 V N 7.817 127.523 119.914 -0.346 0.000 2.364 74 V HA 0.359 4.479 4.120 0.001 0.000 0.272 74 V C -2.142 173.601 176.094 -0.585 0.000 1.036 74 V CA -1.945 60.182 62.300 -0.288 0.000 0.880 74 V CB 0.801 32.581 31.823 -0.072 0.000 0.991 74 V HN 0.613 nan 8.190 nan 0.000 0.460 75 P HA 0.301 nan 4.420 nan 0.000 0.269 75 P C 1.070 178.333 177.300 -0.063 0.000 1.209 75 P CA 1.223 64.251 63.100 -0.121 0.000 0.776 75 P CB 0.963 32.713 31.700 0.083 0.000 0.876 76 G N 1.546 110.355 108.800 0.015 0.000 2.284 76 G HA2 -0.224 3.737 3.960 0.001 0.000 0.230 76 G HA3 -0.224 3.737 3.960 0.001 0.000 0.230 76 G C 0.016 174.934 174.900 0.031 0.000 1.021 76 G CA -0.370 44.754 45.100 0.040 0.000 0.619 76 G HN 0.474 nan 8.290 nan 0.000 0.510 77 L N 1.584 122.808 121.223 0.002 0.000 2.559 77 L HA 0.371 4.712 4.340 0.001 0.000 0.274 77 L C 1.158 178.056 176.870 0.046 0.000 1.205 77 L CA 0.449 55.293 54.840 0.007 0.000 0.907 77 L CB 0.097 42.165 42.059 0.015 0.000 1.153 77 L HN 0.404 nan 8.230 nan 0.000 0.490 78 R N 3.435 123.853 120.500 -0.136 0.000 3.006 78 R HA 0.605 4.946 4.340 0.001 0.000 0.235 78 R C -2.511 173.532 176.300 -0.428 0.000 1.362 78 R CA -1.894 53.889 56.100 -0.529 0.000 1.067 78 R CB -0.355 29.507 30.300 -0.730 0.000 1.396 78 R HN 0.329 nan 8.270 nan 0.000 0.504 79 P HA 0.095 nan 4.420 nan 0.000 0.269 79 P C 0.306 177.480 177.300 -0.210 0.000 1.209 79 P CA 0.888 63.776 63.100 -0.354 0.000 0.776 79 P CB 0.608 32.046 31.700 -0.436 0.000 0.876 80 G N 0.882 109.624 108.800 -0.096 0.000 2.232 80 G HA2 -0.227 3.734 3.960 0.001 0.000 0.226 80 G HA3 -0.227 3.734 3.960 0.001 0.000 0.226 80 G C 0.275 175.173 174.900 -0.004 0.000 0.996 80 G CA -0.061 45.009 45.100 -0.049 0.000 0.626 80 G HN 0.674 nan 8.290 nan 0.000 0.509 81 Q N 1.518 121.319 119.800 0.003 0.000 2.271 81 Q HA 0.546 4.887 4.340 0.001 0.000 0.273 81 Q C 0.348 176.447 176.000 0.165 0.000 1.051 81 Q CA -0.228 55.610 55.803 0.059 0.000 0.901 81 Q CB 0.294 29.061 28.738 0.048 0.000 1.174 81 Q HN 0.398 nan 8.270 nan 0.000 0.385 82 L N 6.409 127.727 121.223 0.159 0.000 2.397 82 L HA 0.349 4.690 4.340 0.001 0.000 0.271 82 L C -0.228 176.845 176.870 0.339 0.000 1.148 82 L CA 0.002 54.963 54.840 0.201 0.000 0.825 82 L CB -0.284 41.832 42.059 0.095 0.000 1.117 82 L HN 0.686 nan 8.230 nan 0.000 0.456 83 Y N 0.364 120.699 120.300 0.059 0.000 2.609 83 Y HA 0.950 5.500 4.550 0.001 0.000 0.336 83 Y C -0.758 175.124 175.900 -0.030 0.000 1.129 83 Y CA -1.234 56.878 58.100 0.021 0.000 1.040 83 Y CB 1.474 39.870 38.460 -0.106 0.000 1.310 83 Y HN 0.755 nan 8.280 nan 0.000 0.460 84 A N 0.990 123.728 122.820 -0.136 0.000 2.567 84 A HA 0.790 5.110 4.320 0.001 0.000 0.289 84 A C -2.548 174.872 177.584 -0.273 0.000 1.177 84 A CA -1.020 50.861 52.037 -0.260 0.000 0.694 84 A CB 1.288 20.221 19.000 -0.113 0.000 1.292 84 A HN 0.795 nan 8.150 nan 0.000 0.425 85 Y N 0.171 120.438 120.300 -0.055 0.000 2.376 85 Y HA 0.574 5.124 4.550 0.001 0.000 0.340 85 Y C 0.543 176.433 175.900 -0.017 0.000 0.965 85 Y CA -0.295 57.786 58.100 -0.031 0.000 1.078 85 Y CB 2.054 40.489 38.460 -0.042 0.000 1.193 85 Y HN 0.654 nan 8.280 nan 0.000 0.452 86 R N 2.088 122.690 120.500 0.170 0.000 2.428 86 R HA 0.700 5.041 4.340 0.001 0.000 0.294 86 R C -1.403 175.019 176.300 0.203 0.000 1.000 86 R CA -0.816 55.383 56.100 0.165 0.000 0.960 86 R CB 1.426 31.844 30.300 0.196 0.000 1.076 86 R HN 0.359 nan 8.270 nan 0.000 0.475 87 V N 3.944 123.967 119.914 0.181 0.000 2.483 87 V HA 0.327 4.447 4.120 0.001 0.000 0.297 87 V C -0.745 175.512 176.094 0.271 0.000 1.027 87 V CA -0.984 61.428 62.300 0.187 0.000 0.855 87 V CB 1.027 32.949 31.823 0.164 0.000 0.995 87 V HN 0.653 nan 8.190 nan 0.000 0.424 88 Y N 2.551 122.785 120.300 -0.110 0.000 2.354 88 Y HA 0.833 5.384 4.550 0.001 0.000 0.322 88 Y C 1.066 176.735 175.900 -0.385 0.000 1.253 88 Y CA 0.053 58.084 58.100 -0.113 0.000 1.272 88 Y CB 2.039 40.432 38.460 -0.110 0.000 1.255 88 Y HN 0.876 nan 8.280 nan 0.000 0.500 89 G N 0.847 109.524 108.800 -0.204 0.000 2.317 89 G HA2 0.244 4.205 3.960 0.001 0.000 0.293 89 G HA3 0.244 4.205 3.960 0.001 0.000 0.293 89 G C -3.415 171.441 174.900 -0.074 0.000 1.287 89 G CA -1.284 43.464 45.100 -0.587 0.000 0.850 89 G HN 0.234 nan 8.290 nan 0.000 0.515 90 P HA 0.348 nan 4.420 nan 0.000 0.276 90 P C -1.361 176.179 177.300 0.401 0.000 1.235 90 P CA 0.136 63.367 63.100 0.220 0.000 0.772 90 P CB 0.460 32.272 31.700 0.186 0.000 0.871 91 Y N 4.357 124.722 120.300 0.109 0.000 2.369 91 Y HA 0.357 4.907 4.550 0.001 0.000 0.337 91 Y C 0.175 176.101 175.900 0.043 0.000 0.961 91 Y CA -0.069 58.078 58.100 0.077 0.000 1.186 91 Y CB 0.910 39.313 38.460 -0.095 0.000 1.139 91 Y HN 0.217 nan 8.280 nan 0.000 0.494 92 K N 7.282 127.527 120.400 -0.258 0.000 3.098 92 K HA 0.179 4.500 4.320 0.001 0.000 0.204 92 K C -2.746 173.714 176.600 -0.232 0.000 1.210 92 K CA -1.349 54.838 56.287 -0.167 0.000 0.899 92 K CB 1.405 33.886 32.500 -0.032 0.000 1.176 92 K HN 0.355 nan 8.250 nan 0.000 0.585 93 P HA -0.189 nan 4.420 nan 0.000 0.220 93 P C 0.541 177.744 177.300 -0.161 0.000 1.144 93 P CA 1.330 64.262 63.100 -0.280 0.000 0.800 93 P CB 0.343 31.897 31.700 -0.243 0.000 0.772 94 E N -0.801 119.337 120.200 -0.104 0.000 2.153 94 E HA -0.081 4.270 4.350 0.001 0.000 0.194 94 E C 1.530 178.104 176.600 -0.043 0.000 0.988 94 E CA 0.924 57.293 56.400 -0.052 0.000 0.811 94 E CB -0.663 29.026 29.700 -0.018 0.000 0.746 94 E HN 0.305 nan 8.360 nan 0.000 0.466 95 L N -1.591 119.601 121.223 -0.053 0.000 2.766 95 L HA 0.370 4.710 4.340 0.001 0.000 0.242 95 L C 1.263 178.108 176.870 -0.041 0.000 1.136 95 L CA 0.322 55.146 54.840 -0.027 0.000 0.933 95 L CB 0.440 42.498 42.059 -0.002 0.000 1.241 95 L HN 0.377 nan 8.230 nan 0.000 0.522 96 G N 0.667 109.416 108.800 -0.086 0.000 2.279 96 G HA2 -0.254 3.707 3.960 0.001 0.000 0.223 96 G HA3 -0.254 3.707 3.960 0.001 0.000 0.223 96 G C 0.328 175.166 174.900 -0.103 0.000 1.015 96 G CA -0.403 44.634 45.100 -0.104 0.000 0.621 96 G HN 0.152 nan 8.290 nan 0.000 0.506 97 L N 1.136 122.314 121.223 -0.074 0.000 2.562 97 L HA 0.378 4.718 4.340 0.001 0.000 0.271 97 L C 1.244 178.003 176.870 -0.186 0.000 1.167 97 L CA 0.357 55.164 54.840 -0.056 0.000 0.917 97 L CB 0.311 42.431 42.059 0.102 0.000 1.187 97 L HN 0.211 nan 8.230 nan 0.000 0.482 98 R N 3.652 124.015 120.500 -0.227 0.000 2.772 98 R HA 0.276 4.616 4.340 0.001 0.000 0.358 98 R C -0.989 175.379 176.300 0.114 0.000 1.143 98 R CA -0.387 55.648 56.100 -0.109 0.000 1.153 98 R CB 0.412 30.695 30.300 -0.027 0.000 1.329 98 R HN 0.359 nan 8.270 nan 0.000 0.615 99 F N 1.090 121.253 119.950 0.355 0.000 2.467 99 F HA 0.207 4.735 4.527 0.001 0.000 0.362 99 F C 0.972 177.016 175.800 0.406 0.000 1.090 99 F CA -0.112 58.072 58.000 0.307 0.000 1.202 99 F CB 0.660 39.780 39.000 0.200 0.000 1.113 99 F HN 0.012 nan 8.300 nan 0.000 0.541 100 N N 5.579 124.525 118.700 0.410 0.000 2.648 100 N HA 0.217 4.957 4.740 0.001 0.000 0.261 100 N C -2.189 173.342 175.510 0.036 0.000 1.138 100 N CA -1.762 51.437 53.050 0.248 0.000 0.804 100 N CB 1.769 40.318 38.487 0.103 0.000 1.237 100 N HN 0.129 nan 8.380 nan 0.000 0.532 101 P HA -0.000 nan 4.420 nan 0.000 0.233 101 P C 0.328 177.459 177.300 -0.281 0.000 1.167 101 P CA 0.806 63.669 63.100 -0.395 0.000 0.770 101 P CB 0.546 31.502 31.700 -1.239 0.000 0.837 102 N N -0.156 118.424 118.700 -0.201 0.000 2.244 102 N HA -0.075 4.665 4.740 0.001 0.000 0.183 102 N C 0.399 175.847 175.510 -0.103 0.000 1.016 102 N CA 0.792 53.748 53.050 -0.156 0.000 0.866 102 N CB -0.289 38.085 38.487 -0.189 0.000 0.980 102 N HN 0.012 nan 8.380 nan 0.000 0.430 103 K N 1.554 121.904 120.400 -0.084 0.000 2.349 103 K HA 0.144 4.465 4.320 0.001 0.000 0.289 103 K C -0.656 175.931 176.600 -0.022 0.000 1.064 103 K CA -0.250 56.010 56.287 -0.046 0.000 0.947 103 K CB 1.048 33.530 32.500 -0.029 0.000 1.007 103 K HN -0.109 nan 8.250 nan 0.000 0.478 104 V N 5.407 125.310 119.914 -0.018 0.000 2.488 104 V HA 0.138 4.258 4.120 0.001 0.000 0.277 104 V C -0.536 175.539 176.094 -0.032 0.000 1.046 104 V CA -0.562 61.734 62.300 -0.006 0.000 0.986 104 V CB 0.477 32.301 31.823 0.001 0.000 0.989 104 V HN 0.415 nan 8.190 nan 0.000 0.475 105 L N 7.061 128.279 121.223 -0.008 0.000 2.322 105 L HA 0.603 4.944 4.340 0.001 0.000 0.269 105 L C 0.102 176.934 176.870 -0.064 0.000 1.012 105 L CA -0.574 54.241 54.840 -0.041 0.000 0.815 105 L CB 1.721 43.770 42.059 -0.015 0.000 1.295 105 L HN 0.514 nan 8.230 nan 0.000 0.438 106 I N 1.245 121.726 120.570 -0.148 0.000 2.396 106 I HA 0.131 4.302 4.170 0.001 0.000 0.292 106 I C 0.170 176.201 176.117 -0.142 0.000 0.999 106 I CA -0.706 60.481 61.300 -0.189 0.000 1.310 106 I CB 1.088 38.935 38.000 -0.256 0.000 1.404 106 I HN 0.501 nan 8.210 nan 0.000 0.496 107 D N 9.191 129.566 120.400 -0.041 0.000 2.389 107 D HA 0.024 4.664 4.640 0.001 0.000 0.263 107 D C -1.414 174.876 176.300 -0.016 0.000 1.255 107 D CA -1.837 52.218 54.000 0.091 0.000 0.914 107 D CB 1.027 42.028 40.800 0.334 0.000 1.116 107 D HN 0.265 nan 8.370 nan 0.000 0.502 108 P HA -0.132 nan 4.420 nan 0.000 0.236 108 P C 0.292 177.745 177.300 0.256 0.000 1.172 108 P CA 0.720 63.794 63.100 -0.043 0.000 0.759 108 P CB -0.009 31.640 31.700 -0.085 0.000 0.843 109 Y N -0.510 119.764 120.300 -0.043 0.000 2.557 109 Y HA 0.461 5.012 4.550 0.001 0.000 0.247 109 Y C 1.301 177.029 175.900 -0.287 0.000 1.164 109 Y CA -0.871 57.019 58.100 -0.351 0.000 1.218 109 Y CB -0.208 38.027 38.460 -0.374 0.000 1.210 109 Y HN -0.125 nan 8.280 nan 0.000 0.529 110 A N 0.906 123.743 122.820 0.028 0.000 2.565 110 A HA 0.049 4.370 4.320 0.001 0.000 0.237 110 A C 1.107 178.658 177.584 -0.055 0.000 1.053 110 A CA 0.249 52.295 52.037 0.016 0.000 0.755 110 A CB 0.416 19.389 19.000 -0.045 0.000 0.980 110 A HN 0.343 nan 8.150 nan 0.000 0.506 111 K N 0.723 121.092 120.400 -0.052 0.000 2.358 111 K HA 0.388 4.709 4.320 0.001 0.000 0.197 111 K C 0.192 176.787 176.600 -0.008 0.000 1.025 111 K CA 0.988 57.238 56.287 -0.061 0.000 1.104 111 K CB 0.360 32.834 32.500 -0.043 0.000 0.855 111 K HN 0.814 nan 8.250 nan 0.000 0.531 112 A N 1.303 124.119 122.820 -0.007 0.000 2.547 112 A HA 0.716 5.036 4.320 0.001 0.000 0.297 112 A C -1.235 176.301 177.584 -0.080 0.000 1.056 112 A CA -0.692 51.339 52.037 -0.010 0.000 0.688 112 A CB 1.315 20.328 19.000 0.020 0.000 1.282 112 A HN 0.117 nan 8.150 nan 0.000 0.400 113 I N 2.034 122.521 120.570 -0.139 0.000 2.533 113 I HA 0.255 4.426 4.170 0.001 0.000 0.290 113 I C 0.847 176.870 176.117 -0.156 0.000 1.056 113 I CA -0.745 60.372 61.300 -0.304 0.000 1.057 113 I CB 2.328 39.844 38.000 -0.806 0.000 1.240 113 I HN 0.885 nan 8.210 nan 0.000 0.423 114 N N 3.952 122.566 118.700 -0.142 0.000 2.054 114 N HA 0.007 4.748 4.740 0.001 0.000 0.193 114 N C 0.781 176.276 175.510 -0.026 0.000 1.066 114 N CA 1.702 54.708 53.050 -0.072 0.000 0.853 114 N CB -0.019 38.404 38.487 -0.108 0.000 1.048 114 N HN 0.774 nan 8.380 nan 0.000 0.431 115 G N -1.141 107.625 108.800 -0.055 0.000 2.857 115 G HA2 0.474 4.435 3.960 0.001 0.000 0.217 115 G HA3 0.474 4.435 3.960 0.001 0.000 0.217 115 G C -0.636 174.266 174.900 0.004 0.000 1.357 115 G CA -0.212 44.868 45.100 -0.032 0.000 1.033 115 G HN 0.418 nan 8.290 nan 0.000 0.571 116 S N -2.172 113.502 115.700 -0.043 0.000 2.748 116 S HA 0.554 5.024 4.470 0.001 0.000 0.299 116 S C -0.016 174.493 174.600 -0.153 0.000 1.119 116 S CA -0.156 58.004 58.200 -0.067 0.000 0.997 116 S CB 1.027 64.169 63.200 -0.097 0.000 1.223 116 S HN 1.143 nan 8.310 nan 0.000 0.541 117 V N 1.373 121.125 119.914 -0.269 0.000 2.488 117 V HA 0.503 4.624 4.120 0.001 0.000 0.277 117 V C -0.156 175.712 176.094 -0.376 0.000 1.046 117 V CA -0.352 61.704 62.300 -0.407 0.000 0.986 117 V CB 0.058 31.424 31.823 -0.762 0.000 0.989 117 V HN 0.656 nan 8.190 nan 0.000 0.475 118 I N 5.424 125.899 120.570 -0.157 0.000 2.311 118 I HA 0.182 4.352 4.170 0.001 0.000 0.297 118 I C 0.232 176.373 176.117 0.039 0.000 1.131 118 I CA 0.039 61.342 61.300 0.006 0.000 1.289 118 I CB -0.072 38.028 38.000 0.167 0.000 1.446 118 I HN 0.714 nan 8.210 nan 0.000 0.524 119 W N 6.962 128.289 121.300 0.046 0.000 2.257 119 W HA 0.036 4.697 4.660 0.001 0.000 0.337 119 W C 0.844 177.327 176.519 -0.060 0.000 1.321 119 W CA 0.415 57.767 57.345 0.012 0.000 1.267 119 W CB 0.255 29.738 29.460 0.038 0.000 1.187 119 W HN 0.521 nan 8.180 nan 0.000 0.565 120 N N 2.086 120.924 118.700 0.229 0.000 3.186 120 N HA -0.078 4.662 4.740 0.001 0.000 0.230 120 N C -0.107 175.380 175.510 -0.038 0.000 1.062 120 N CA -0.406 52.583 53.050 -0.102 0.000 1.084 120 N CB 0.995 39.070 38.487 -0.687 0.000 1.662 120 N HN 0.364 nan 8.380 nan 0.000 0.627 121 D N 2.106 122.466 120.400 -0.067 0.000 2.292 121 D HA -0.132 4.508 4.640 0.001 0.000 0.205 121 D C 1.412 177.723 176.300 0.019 0.000 0.994 121 D CA 1.547 55.487 54.000 -0.100 0.000 0.897 121 D CB 0.061 40.748 40.800 -0.187 0.000 0.907 121 D HN 0.613 nan 8.370 nan 0.000 0.467 122 A N 0.100 122.870 122.820 -0.085 0.000 2.259 122 A HA 0.099 4.419 4.320 0.001 0.000 0.208 122 A C 1.533 179.100 177.584 -0.029 0.000 1.201 122 A CA 0.253 52.239 52.037 -0.086 0.000 0.824 122 A CB -0.066 18.860 19.000 -0.123 0.000 0.838 122 A HN 0.179 nan 8.150 nan 0.000 0.485 123 V N -5.524 114.426 119.914 0.060 0.000 2.982 123 V HA 0.521 4.642 4.120 0.001 0.000 0.368 123 V C 0.530 176.506 176.094 -0.197 0.000 1.350 123 V CA 0.082 62.341 62.300 -0.068 0.000 1.251 123 V CB -1.335 30.397 31.823 -0.152 0.000 1.284 123 V HN 0.285 nan 8.190 nan 0.000 0.533 124 F N 0.973 120.854 119.950 -0.115 0.000 2.856 124 F HA 0.577 5.104 4.527 0.001 0.000 0.338 124 F C 2.139 177.881 175.800 -0.096 0.000 1.005 124 F CA 0.550 58.456 58.000 -0.157 0.000 1.155 124 F CB 0.696 39.421 39.000 -0.458 0.000 1.010 124 F HN 0.333 nan 8.300 nan 0.000 0.587 125 G N 0.868 109.687 108.800 0.031 0.000 2.205 125 G HA2 -0.360 3.600 3.960 0.001 0.000 0.269 125 G HA3 -0.360 3.600 3.960 0.001 0.000 0.269 125 G C 0.055 175.048 174.900 0.154 0.000 0.977 125 G CA 1.034 46.144 45.100 0.017 0.000 0.652 125 G HN 0.555 nan 8.290 nan 0.000 0.539 126 Y N -1.628 118.756 120.300 0.139 0.000 2.562 126 Y HA 0.845 5.395 4.550 0.001 0.000 0.343 126 Y C 0.153 176.080 175.900 0.045 0.000 1.025 126 Y CA -2.217 55.951 58.100 0.114 0.000 1.082 126 Y CB 1.093 39.661 38.460 0.180 0.000 1.264 126 Y HN -0.058 nan 8.280 nan 0.000 0.478 127 K N 2.563 123.021 120.400 0.097 0.000 2.412 127 K HA 0.115 4.436 4.320 0.001 0.000 0.284 127 K C 0.663 177.259 176.600 -0.006 0.000 1.046 127 K CA -0.047 56.231 56.287 -0.015 0.000 0.999 127 K CB 0.237 32.762 32.500 0.040 0.000 0.941 127 K HN 0.660 nan 8.250 nan 0.000 0.474 128 I N 1.919 122.362 120.570 -0.212 0.000 2.094 128 I HA -0.150 4.021 4.170 0.001 0.000 0.234 128 I C 1.895 177.987 176.117 -0.042 0.000 1.063 128 I CA 1.686 62.851 61.300 -0.225 0.000 1.328 128 I CB -1.124 36.648 38.000 -0.379 0.000 1.058 128 I HN 0.852 nan 8.210 nan 0.000 0.400 129 G N 0.769 109.532 108.800 -0.062 0.000 2.776 129 G HA2 -0.132 3.828 3.960 0.001 0.000 0.209 129 G HA3 -0.132 3.828 3.960 0.001 0.000 0.209 129 G C 0.607 175.512 174.900 0.008 0.000 1.145 129 G CA -0.050 45.032 45.100 -0.030 0.000 0.791 129 G HN 0.329 nan 8.290 nan 0.000 0.530 130 D N -0.438 119.986 120.400 0.039 0.000 2.339 130 D HA 0.084 4.725 4.640 0.001 0.000 0.245 130 D C 1.108 177.446 176.300 0.064 0.000 1.115 130 D CA -0.239 53.796 54.000 0.058 0.000 0.917 130 D CB 1.114 41.966 40.800 0.087 0.000 1.192 130 D HN 0.145 nan 8.370 nan 0.000 0.428 131 Q N 1.768 121.599 119.800 0.052 0.000 2.172 131 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 131 Q C 0.221 176.254 176.000 0.055 0.000 0.964 131 Q CA 0.893 56.724 55.803 0.046 0.000 0.855 131 Q CB 0.175 28.935 28.738 0.037 0.000 0.918 131 Q HN 0.341 nan 8.270 nan 0.000 0.444 132 N N 1.946 120.686 118.700 0.067 0.000 2.597 132 N HA 0.008 4.749 4.740 0.001 0.000 0.269 132 N C -1.023 174.529 175.510 0.071 0.000 1.204 132 N CA -0.062 53.029 53.050 0.068 0.000 0.947 132 N CB 0.111 38.644 38.487 0.077 0.000 1.258 132 N HN 0.265 nan 8.380 nan 0.000 0.508 133 Q N 0.531 120.367 119.800 0.061 0.000 2.658 133 Q HA -0.168 4.173 4.340 0.001 0.000 0.367 133 Q C 0.103 176.001 176.000 -0.169 0.000 1.107 133 Q CA 1.013 56.822 55.803 0.009 0.000 1.128 133 Q CB -0.053 28.665 28.738 -0.033 0.000 1.099 133 Q HN 0.511 nan 8.270 nan 0.000 0.418 134 D N 0.073 120.230 120.400 -0.405 0.000 2.880 134 D HA -0.267 4.374 4.640 0.001 0.000 0.198 134 D C 0.057 176.324 176.300 -0.055 0.000 1.059 134 D CA 1.557 55.281 54.000 -0.460 0.000 1.019 134 D CB -1.061 39.405 40.800 -0.557 0.000 1.112 134 D HN 0.499 nan 8.370 nan 0.000 0.424 135 L N 0.540 121.777 121.223 0.023 0.000 2.567 135 L HA 0.367 4.708 4.340 0.001 0.000 0.225 135 L C 0.958 177.972 176.870 0.241 0.000 1.119 135 L CA 1.416 56.310 54.840 0.090 0.000 0.871 135 L CB -0.267 41.826 42.059 0.057 0.000 1.036 135 L HN 0.532 nan 8.230 nan 0.000 0.459 136 T N -3.593 111.140 114.554 0.298 0.000 2.936 136 T HA 0.314 4.665 4.350 0.001 0.000 0.282 136 T C -0.713 174.240 174.700 0.422 0.000 1.003 136 T CA -0.476 61.820 62.100 0.325 0.000 1.005 136 T CB 1.503 70.510 68.868 0.232 0.000 1.097 136 T HN 0.038 nan 8.240 nan 0.000 0.532 137 Y N 1.096 121.440 120.300 0.073 0.000 2.646 137 Y HA 0.298 4.848 4.550 0.001 0.000 0.334 137 Y C -0.456 175.367 175.900 -0.128 0.000 1.004 137 Y CA -1.015 56.958 58.100 -0.213 0.000 1.301 137 Y CB 0.503 38.713 38.460 -0.416 0.000 1.093 137 Y HN 0.793 nan 8.280 nan 0.000 0.530 138 D N 4.528 124.708 120.400 -0.367 0.000 2.308 138 D HA 0.036 4.676 4.640 0.001 0.000 0.251 138 D C -0.043 175.936 176.300 -0.536 0.000 1.127 138 D CA 0.011 53.812 54.000 -0.331 0.000 0.876 138 D CB 1.190 41.873 40.800 -0.195 0.000 1.176 138 D HN 0.861 nan 8.370 nan 0.000 0.446 139 E N 2.628 122.604 120.200 -0.372 0.000 2.869 139 E HA 0.205 4.555 4.350 0.001 0.000 0.207 139 E C -0.085 176.407 176.600 -0.180 0.000 0.986 139 E CA -0.621 55.575 56.400 -0.341 0.000 1.131 139 E CB 0.327 29.881 29.700 -0.242 0.000 1.098 139 E HN 0.207 nan 8.360 nan 0.000 0.459 140 R N 2.077 122.489 120.500 -0.146 0.000 2.347 140 R HA 0.067 4.408 4.340 0.001 0.000 0.304 140 R C 0.081 176.344 176.300 -0.062 0.000 1.072 140 R CA -0.396 55.658 56.100 -0.077 0.000 0.980 140 R CB 0.536 30.807 30.300 -0.049 0.000 0.986 140 R HN 0.237 nan 8.270 nan 0.000 0.448 141 D N 1.655 122.030 120.400 -0.041 0.000 2.455 141 D HA -0.060 4.580 4.640 0.001 0.000 0.241 141 D C 0.245 176.585 176.300 0.065 0.000 1.138 141 D CA 0.461 54.444 54.000 -0.029 0.000 0.877 141 D CB 0.913 41.667 40.800 -0.077 0.000 1.187 141 D HN 0.596 nan 8.370 nan 0.000 0.451 142 S N 1.485 117.228 115.700 0.071 0.000 2.701 142 S HA 0.220 4.691 4.470 0.001 0.000 0.242 142 S C 1.734 176.428 174.600 0.156 0.000 1.025 142 S CA 0.163 58.484 58.200 0.202 0.000 1.016 142 S CB 0.555 63.808 63.200 0.088 0.000 0.977 142 S HN 0.501 nan 8.310 nan 0.000 0.546 143 G N 3.504 112.333 108.800 0.048 0.000 2.505 143 G HA2 -0.299 3.662 3.960 0.001 0.000 0.220 143 G HA3 -0.299 3.662 3.960 0.001 0.000 0.220 143 G C 1.312 176.158 174.900 -0.090 0.000 1.145 143 G CA 1.215 46.317 45.100 0.004 0.000 0.761 143 G HN 0.840 nan 8.290 nan 0.000 0.571 144 E N -0.905 119.189 120.200 -0.177 0.000 2.482 144 E HA 0.016 4.367 4.350 0.001 0.000 0.196 144 E C 1.542 177.854 176.600 -0.480 0.000 1.047 144 E CA 0.512 56.696 56.400 -0.359 0.000 0.869 144 E CB -0.240 29.176 29.700 -0.473 0.000 0.836 144 E HN 0.661 nan 8.360 nan 0.000 0.520 145 Y N 0.634 120.884 120.300 -0.084 0.000 2.559 145 Y HA 0.198 4.749 4.550 0.001 0.000 0.279 145 Y C 0.935 176.731 175.900 -0.174 0.000 1.117 145 Y CA -0.463 57.570 58.100 -0.110 0.000 1.263 145 Y CB 0.653 39.062 38.460 -0.085 0.000 1.230 145 Y HN -0.161 nan 8.280 nan 0.000 0.528 146 V N 4.824 124.714 119.914 -0.041 0.000 2.488 146 V HA 0.141 4.261 4.120 0.001 0.000 0.277 146 V C -1.971 174.000 176.094 -0.205 0.000 1.046 146 V CA -2.248 59.966 62.300 -0.144 0.000 0.986 146 V CB 0.417 32.155 31.823 -0.142 0.000 0.989 146 V HN -0.001 nan 8.190 nan 0.000 0.475 147 P HA 0.089 nan 4.420 nan 0.000 0.269 147 P C -0.806 176.323 177.300 -0.286 0.000 1.217 147 P CA -0.180 62.784 63.100 -0.227 0.000 0.783 147 P CB 0.648 32.230 31.700 -0.196 0.000 0.898 148 K N 1.038 121.257 120.400 -0.302 0.000 2.130 148 K HA 0.347 4.668 4.320 0.001 0.000 0.268 148 K C 0.291 176.712 176.600 -0.298 0.000 0.983 148 K CA -0.618 55.465 56.287 -0.339 0.000 0.893 148 K CB 0.770 33.055 32.500 -0.358 0.000 1.066 148 K HN 0.357 nan 8.250 nan 0.000 0.450 149 S N 0.744 116.194 115.700 -0.416 0.000 2.564 149 S HA 0.211 4.682 4.470 0.001 0.000 0.278 149 S C 0.150 174.672 174.600 -0.131 0.000 1.333 149 S CA -0.791 57.151 58.200 -0.431 0.000 1.048 149 S CB 0.566 63.220 63.200 -0.910 0.000 0.900 149 S HN 0.280 nan 8.310 nan 0.000 0.505 150 V N 3.417 123.363 119.914 0.053 0.000 2.417 150 V HA 0.304 4.424 4.120 0.001 0.000 0.291 150 V C 0.087 176.333 176.094 0.254 0.000 1.024 150 V CA -0.962 61.439 62.300 0.168 0.000 0.861 150 V CB 1.278 33.135 31.823 0.057 0.000 0.985 150 V HN 0.697 nan 8.190 nan 0.000 0.436 151 V N 6.213 126.278 119.914 0.251 0.000 2.740 151 V HA 0.347 4.467 4.120 0.001 0.000 0.303 151 V C 0.159 176.278 176.094 0.041 0.000 1.054 151 V CA 0.129 62.482 62.300 0.087 0.000 1.106 151 V CB 0.732 32.533 31.823 -0.037 0.000 0.957 151 V HN 0.873 nan 8.190 nan 0.000 0.486 152 I N 0.724 121.319 120.570 0.042 0.000 3.042 152 I HA 0.671 4.841 4.170 0.001 0.000 0.310 152 I C -0.616 175.540 176.117 0.066 0.000 1.117 152 I CA -0.951 60.374 61.300 0.041 0.000 1.003 152 I CB 2.453 40.490 38.000 0.062 0.000 1.228 152 I HN 0.459 nan 8.210 nan 0.000 0.443 153 N N 4.621 123.356 118.700 0.058 0.000 2.501 153 N HA 0.441 5.181 4.740 0.001 0.000 0.245 153 N C -1.800 173.823 175.510 0.188 0.000 0.974 153 N CA -2.417 50.713 53.050 0.133 0.000 0.941 153 N CB 1.177 39.697 38.487 0.055 0.000 1.122 153 N HN 0.517 nan 8.380 nan 0.000 0.507 154 P HA -0.052 nan 4.420 nan 0.000 0.237 154 P C -0.060 177.377 177.300 0.228 0.000 1.178 154 P CA 0.110 63.331 63.100 0.202 0.000 0.766 154 P CB -0.144 31.681 31.700 0.208 0.000 0.876 155 Y N 1.665 122.051 120.300 0.143 0.000 2.650 155 Y HA 0.246 4.797 4.550 0.001 0.000 0.331 155 Y C -0.585 175.390 175.900 0.125 0.000 1.165 155 Y CA -0.005 58.172 58.100 0.128 0.000 1.473 155 Y CB -0.300 38.220 38.460 0.099 0.000 1.224 155 Y HN -0.169 nan 8.280 nan 0.000 0.533 156 F N 5.715 125.313 119.950 -0.587 0.000 2.588 156 F HA 0.354 4.882 4.527 0.001 0.000 0.318 156 F C -1.067 174.245 175.800 -0.813 0.000 1.155 156 F CA -0.884 56.709 58.000 -0.680 0.000 0.967 156 F CB 1.288 39.900 39.000 -0.646 0.000 1.236 156 F HN 0.451 nan 8.300 nan 0.000 0.455 157 E N 5.522 124.987 120.200 -1.225 0.000 1.932 157 E HA 0.041 4.392 4.350 0.001 0.000 0.275 157 E C -1.214 175.056 176.600 -0.550 0.000 1.159 157 E CA -0.159 55.815 56.400 -0.710 0.000 0.905 157 E CB 0.420 29.820 29.700 -0.501 0.000 1.059 157 E HN 0.547 nan 8.360 nan 0.000 0.400 158 W N 3.962 125.241 121.300 -0.036 0.000 1.224 158 W HA 0.026 4.686 4.660 0.001 0.000 0.503 158 W C 0.294 176.868 176.519 0.091 0.000 0.592 158 W CA -0.705 56.729 57.345 0.149 0.000 2.414 158 W CB -0.788 28.797 29.460 0.209 0.000 1.352 158 W HN 0.439 nan 8.180 nan 0.000 0.226 159 D N 0.069 120.552 120.400 0.137 0.000 2.571 159 D HA -0.167 4.473 4.640 0.001 0.000 0.231 159 D C 0.918 177.338 176.300 0.200 0.000 1.133 159 D CA 0.654 54.727 54.000 0.122 0.000 0.862 159 D CB 0.702 41.519 40.800 0.027 0.000 1.179 159 D HN 0.283 nan 8.370 nan 0.000 0.474 160 D N 0.118 120.635 120.400 0.195 0.000 2.955 160 D HA -0.304 4.337 4.640 0.001 0.000 0.205 160 D C 1.089 177.557 176.300 0.279 0.000 1.104 160 D CA 1.415 55.547 54.000 0.220 0.000 1.005 160 D CB -0.653 40.242 40.800 0.158 0.000 1.123 160 D HN 0.810 nan 8.370 nan 0.000 0.407 161 E N 0.835 121.233 120.200 0.329 0.000 2.063 161 E HA -0.256 4.095 4.350 0.001 0.000 0.221 161 E C 1.262 177.984 176.600 0.203 0.000 1.052 161 E CA 2.412 59.028 56.400 0.361 0.000 0.891 161 E CB -0.104 29.875 29.700 0.465 0.000 0.792 161 E HN 0.507 nan 8.360 nan 0.000 0.482 162 D N -0.887 119.596 120.400 0.138 0.000 2.312 162 D HA -0.137 4.504 4.640 0.001 0.000 0.211 162 D C 1.867 178.099 176.300 -0.113 0.000 0.964 162 D CA 0.581 54.554 54.000 -0.044 0.000 0.877 162 D CB -0.637 40.088 40.800 -0.125 0.000 0.924 162 D HN 0.255 nan 8.370 nan 0.000 0.515 163 F N 0.760 120.706 119.950 -0.007 0.000 2.416 163 F HA 0.136 4.663 4.527 0.001 0.000 0.296 163 F C 1.972 177.738 175.800 -0.056 0.000 1.099 163 F CA -0.096 57.890 58.000 -0.023 0.000 1.427 163 F CB -0.005 38.994 39.000 -0.002 0.000 1.079 163 F HN -0.137 nan 8.300 nan 0.000 0.536 164 I N 0.482 121.105 120.570 0.088 0.000 3.551 164 I HA -0.065 4.105 4.170 0.001 0.000 0.307 164 I C -0.094 175.944 176.117 -0.132 0.000 1.215 164 I CA 0.899 62.174 61.300 -0.041 0.000 1.195 164 I CB -0.671 37.249 38.000 -0.134 0.000 0.998 164 I HN -0.207 nan 8.210 nan 0.000 0.510 165 K N 1.413 121.752 120.400 -0.101 0.000 2.827 165 K HA 0.705 5.026 4.320 0.001 0.000 0.186 165 K C -0.571 175.957 176.600 -0.121 0.000 1.093 165 K CA -0.039 56.155 56.287 -0.155 0.000 0.993 165 K CB 1.004 33.388 32.500 -0.193 0.000 1.199 165 K HN 0.297 nan 8.250 nan 0.000 0.598 166 G N 0.805 109.544 108.800 -0.102 0.000 2.337 166 G HA2 -0.004 3.956 3.960 0.001 0.000 0.310 166 G HA3 -0.004 3.956 3.960 0.001 0.000 0.310 166 G C -1.287 173.571 174.900 -0.070 0.000 1.534 166 G CA -1.126 43.936 45.100 -0.063 0.000 0.982 166 G HN 0.156 nan 8.290 nan 0.000 0.672 167 K N 1.110 121.483 120.400 -0.046 0.000 2.360 167 K HA 0.093 4.413 4.320 0.001 0.000 0.225 167 K C 1.095 177.658 176.600 -0.061 0.000 1.246 167 K CA 0.275 56.529 56.287 -0.054 0.000 1.198 167 K CB -0.121 32.362 32.500 -0.028 0.000 1.348 167 K HN 0.384 nan 8.250 nan 0.000 0.232 168 K N -0.275 120.074 120.400 -0.085 0.000 2.829 168 K HA 0.144 4.464 4.320 0.001 0.000 0.302 168 K C 0.086 176.634 176.600 -0.086 0.000 1.028 168 K CA -0.574 55.658 56.287 -0.091 0.000 1.054 168 K CB 0.375 32.800 32.500 -0.126 0.000 1.279 168 K HN -0.053 nan 8.250 nan 0.000 0.485 169 V N 4.096 123.959 119.914 -0.085 0.000 2.416 169 V HA 0.023 4.143 4.120 0.001 0.000 0.267 169 V C -1.917 174.109 176.094 -0.114 0.000 1.007 169 V CA -1.123 61.129 62.300 -0.080 0.000 1.102 169 V CB -0.836 30.951 31.823 -0.060 0.000 1.035 169 V HN 0.594 nan 8.190 nan 0.000 0.473 170 P HA 0.039 nan 4.420 nan 0.000 0.269 170 P C 1.132 178.288 177.300 -0.240 0.000 1.215 170 P CA -0.228 62.747 63.100 -0.208 0.000 0.780 170 P CB 1.235 32.807 31.700 -0.213 0.000 0.898 171 L N 1.392 122.400 121.223 -0.359 0.000 2.351 171 L HA -0.179 4.162 4.340 0.001 0.000 0.220 171 L C 2.228 178.945 176.870 -0.255 0.000 1.127 171 L CA 1.725 56.373 54.840 -0.319 0.000 0.786 171 L CB -0.313 41.511 42.059 -0.391 0.000 0.914 171 L HN 0.561 nan 8.230 nan 0.000 0.443 172 K N -1.077 119.104 120.400 -0.365 0.000 2.323 172 K HA -0.051 4.270 4.320 0.001 0.000 0.197 172 K C 0.422 177.098 176.600 0.127 0.000 1.043 172 K CA 0.856 57.147 56.287 0.007 0.000 0.997 172 K CB 0.315 32.851 32.500 0.059 0.000 0.807 172 K HN 0.229 nan 8.250 nan 0.000 0.497 173 D N 1.149 121.564 120.400 0.025 0.000 2.479 173 D HA 0.063 4.703 4.640 0.001 0.000 0.218 173 D C -0.381 175.977 176.300 0.098 0.000 1.177 173 D CA -0.057 53.967 54.000 0.041 0.000 0.830 173 D CB 0.946 41.734 40.800 -0.019 0.000 1.014 173 D HN 0.023 nan 8.370 nan 0.000 0.503 174 T N 0.711 115.322 114.554 0.094 0.000 2.913 174 T HA 0.379 4.729 4.350 0.001 0.000 0.297 174 T C 0.273 175.052 174.700 0.132 0.000 1.029 174 T CA -0.153 61.991 62.100 0.074 0.000 1.104 174 T CB 2.167 71.042 68.868 0.012 0.000 0.964 174 T HN -0.220 nan 8.240 nan 0.000 0.532 175 V N 4.023 123.990 119.914 0.090 0.000 2.509 175 V HA 0.371 4.492 4.120 0.001 0.000 0.289 175 V C -0.170 175.958 176.094 0.055 0.000 1.026 175 V CA -0.776 61.565 62.300 0.067 0.000 0.872 175 V CB 1.154 33.031 31.823 0.090 0.000 1.017 175 V HN 0.765 nan 8.190 nan 0.000 0.436 176 I N 4.089 124.680 120.570 0.035 0.000 2.532 176 I HA 0.402 4.573 4.170 0.001 0.000 0.292 176 I C -0.802 175.380 176.117 0.108 0.000 1.014 176 I CA -0.605 60.725 61.300 0.050 0.000 1.340 176 I CB 1.107 39.109 38.000 0.004 0.000 1.422 176 I HN 0.650 nan 8.210 nan 0.000 0.528 177 Y N 4.779 125.069 120.300 -0.018 0.000 2.488 177 Y HA 0.252 4.802 4.550 0.001 0.000 0.330 177 Y C -0.155 175.747 175.900 0.004 0.000 1.013 177 Y CA -0.770 57.331 58.100 0.001 0.000 1.304 177 Y CB 0.972 39.428 38.460 -0.007 0.000 1.098 177 Y HN 0.578 nan 8.280 nan 0.000 0.498 178 E N 5.334 125.393 120.200 -0.235 0.000 2.217 178 E HA 0.520 4.870 4.350 0.001 0.000 0.279 178 E C -1.377 175.124 176.600 -0.165 0.000 1.068 178 E CA -0.420 55.906 56.400 -0.123 0.000 0.882 178 E CB 0.600 30.283 29.700 -0.028 0.000 1.039 178 E HN 0.427 nan 8.360 nan 0.000 0.418 179 V N 2.757 122.625 119.914 -0.076 0.000 2.876 179 V HA 0.286 4.406 4.120 0.001 0.000 0.312 179 V C -0.436 175.653 176.094 -0.008 0.000 1.085 179 V CA -1.148 61.135 62.300 -0.030 0.000 0.945 179 V CB 1.596 33.306 31.823 -0.189 0.000 1.017 179 V HN 0.707 nan 8.190 nan 0.000 0.428 180 H N 2.152 121.230 119.070 0.015 0.000 2.594 180 H HA 0.428 4.984 4.556 0.001 0.000 0.304 180 H C 0.781 176.041 175.328 -0.114 0.000 1.068 180 H CA 0.067 56.087 56.048 -0.047 0.000 1.308 180 H CB 1.897 31.714 29.762 0.092 0.000 1.409 180 H HN 0.518 nan 8.280 nan 0.000 0.460 181 V N 5.474 125.246 119.914 -0.236 0.000 2.250 181 V HA -0.362 3.758 4.120 0.001 0.000 0.253 181 V C 2.657 178.742 176.094 -0.015 0.000 1.065 181 V CA 2.706 64.868 62.300 -0.229 0.000 1.039 181 V CB -0.361 31.077 31.823 -0.640 0.000 0.647 181 V HN 0.692 nan 8.190 nan 0.000 0.446 182 K N -0.293 120.196 120.400 0.147 0.000 1.967 182 K HA -0.095 4.226 4.320 0.001 0.000 0.212 182 K C 2.214 178.837 176.600 0.038 0.000 1.044 182 K CA 1.496 57.886 56.287 0.172 0.000 0.942 182 K CB -0.894 31.862 32.500 0.427 0.000 0.726 182 K HN 0.447 nan 8.250 nan 0.000 0.440 183 G N 0.836 109.715 108.800 0.131 0.000 2.581 183 G HA2 -0.301 3.659 3.960 0.001 0.000 0.223 183 G HA3 -0.301 3.659 3.960 0.001 0.000 0.223 183 G C 1.278 176.188 174.900 0.016 0.000 1.094 183 G CA 0.835 46.066 45.100 0.218 0.000 0.736 183 G HN 0.412 nan 8.290 nan 0.000 0.588 184 F N 2.384 122.095 119.950 -0.398 0.000 2.161 184 F HA -0.072 4.456 4.527 0.001 0.000 0.300 184 F C 2.384 178.047 175.800 -0.229 0.000 1.089 184 F CA 2.132 59.660 58.000 -0.787 0.000 1.282 184 F CB -0.104 38.700 39.000 -0.326 0.000 1.010 184 F HN 0.267 nan 8.300 nan 0.000 0.485 185 T N -4.547 109.929 114.554 -0.131 0.000 3.412 185 T HA 0.127 4.478 4.350 0.001 0.000 0.305 185 T C 1.285 175.910 174.700 -0.125 0.000 0.892 185 T CA 0.171 62.181 62.100 -0.151 0.000 0.936 185 T CB -0.297 68.437 68.868 -0.223 0.000 1.202 185 T HN 0.094 nan 8.240 nan 0.000 0.621 186 K N 2.179 122.441 120.400 -0.229 0.000 2.026 186 K HA 0.175 4.495 4.320 0.001 0.000 0.208 186 K C 1.328 177.803 176.600 -0.209 0.000 1.048 186 K CA 1.423 57.483 56.287 -0.379 0.000 0.929 186 K CB -0.584 31.295 32.500 -1.036 0.000 0.713 186 K HN 0.490 nan 8.250 nan 0.000 0.439 187 L N 1.035 122.209 121.223 -0.082 0.000 2.851 187 L HA 0.237 4.578 4.340 0.001 0.000 0.237 187 L C 0.147 177.146 176.870 0.214 0.000 1.257 187 L CA -0.349 54.553 54.840 0.104 0.000 1.061 187 L CB 0.102 42.284 42.059 0.205 0.000 1.372 187 L HN 0.031 nan 8.230 nan 0.000 0.493 188 R N 0.931 121.479 120.500 0.079 0.000 3.070 188 R HA 0.185 4.526 4.340 0.001 0.000 0.252 188 R C 0.783 177.018 176.300 -0.108 0.000 1.370 188 R CA -0.343 55.704 56.100 -0.088 0.000 1.482 188 R CB 0.143 30.247 30.300 -0.328 0.000 1.220 188 R HN 0.062 nan 8.270 nan 0.000 0.622 189 L N 1.372 122.567 121.223 -0.047 0.000 2.447 189 L HA -0.104 4.237 4.340 0.001 0.000 0.225 189 L C 1.521 178.342 176.870 -0.081 0.000 1.148 189 L CA 1.205 56.018 54.840 -0.045 0.000 0.808 189 L CB -1.249 40.804 42.059 -0.009 0.000 0.928 189 L HN 0.544 nan 8.230 nan 0.000 0.448 190 D N 0.573 120.890 120.400 -0.139 0.000 2.158 190 D HA -0.163 4.478 4.640 0.001 0.000 0.197 190 D C 0.839 177.057 176.300 -0.137 0.000 0.995 190 D CA 0.948 54.852 54.000 -0.161 0.000 0.846 190 D CB 0.066 40.708 40.800 -0.264 0.000 0.941 190 D HN 0.332 nan 8.370 nan 0.000 0.456 191 L N 1.267 122.403 121.223 -0.145 0.000 2.334 191 L HA 0.391 4.731 4.340 0.001 0.000 0.277 191 L C -2.005 174.823 176.870 -0.070 0.000 1.075 191 L CA -2.268 52.510 54.840 -0.103 0.000 0.804 191 L CB 0.748 42.740 42.059 -0.111 0.000 1.174 191 L HN -0.105 nan 8.230 nan 0.000 0.438 192 P HA -0.128 nan 4.420 nan 0.000 0.261 192 P C -0.226 177.056 177.300 -0.030 0.000 1.165 192 P CA 0.194 63.275 63.100 -0.032 0.000 0.759 192 P CB 0.413 32.098 31.700 -0.024 0.000 0.772 193 E N 4.290 124.478 120.200 -0.021 0.000 2.492 193 E HA -0.214 4.136 4.350 0.001 0.000 0.266 193 E C 1.107 177.702 176.600 -0.009 0.000 1.187 193 E CA 0.579 56.971 56.400 -0.015 0.000 1.036 193 E CB -0.003 29.696 29.700 -0.002 0.000 0.994 193 E HN 0.794 nan 8.360 nan 0.000 0.468 194 N N 1.312 120.009 118.700 -0.004 0.000 2.980 194 N HA -0.256 4.484 4.740 0.001 0.000 0.219 194 N C 0.723 176.238 175.510 0.008 0.000 0.883 194 N CA 1.574 54.627 53.050 0.006 0.000 1.018 194 N CB -1.710 36.782 38.487 0.008 0.000 1.041 194 N HN 0.672 nan 8.380 nan 0.000 0.592 195 I N -2.141 118.428 120.570 -0.003 0.000 4.227 195 I HA 0.332 4.502 4.170 0.001 0.000 0.334 195 I C 0.254 176.359 176.117 -0.020 0.000 1.341 195 I CA -0.463 60.837 61.300 0.000 0.000 1.123 195 I CB 0.068 38.069 38.000 0.002 0.000 1.097 195 I HN -0.031 nan 8.210 nan 0.000 0.399 196 R N 2.763 123.240 120.500 -0.038 0.000 2.446 196 R HA 0.298 4.639 4.340 0.001 0.000 0.314 196 R C 1.017 177.276 176.300 -0.068 0.000 1.003 196 R CA 0.940 56.999 56.100 -0.068 0.000 1.018 196 R CB 0.048 30.303 30.300 -0.075 0.000 0.945 196 R HN 0.600 nan 8.270 nan 0.000 0.419 197 G N 2.013 110.771 108.800 -0.071 0.000 2.149 197 G HA2 -0.290 3.670 3.960 0.001 0.000 0.235 197 G HA3 -0.290 3.670 3.960 0.001 0.000 0.235 197 G C 0.160 175.069 174.900 0.015 0.000 1.018 197 G CA 0.378 45.449 45.100 -0.049 0.000 0.728 197 G HN 0.717 nan 8.290 nan 0.000 0.508 198 T N -3.835 110.710 114.554 -0.015 0.000 2.910 198 T HA 0.674 5.024 4.350 0.001 0.000 0.287 198 T C 1.114 175.769 174.700 -0.076 0.000 1.050 198 T CA -0.130 61.926 62.100 -0.073 0.000 1.011 198 T CB 1.419 70.285 68.868 -0.004 0.000 1.195 198 T HN 0.174 nan 8.240 nan 0.000 0.540 199 Y N 0.198 120.569 120.300 0.119 0.000 2.014 199 Y HA -0.195 4.356 4.550 0.001 0.000 0.272 199 Y C 2.884 178.799 175.900 0.025 0.000 1.164 199 Y CA 1.932 60.064 58.100 0.054 0.000 1.114 199 Y CB -0.468 38.043 38.460 0.086 0.000 0.961 199 Y HN 0.842 nan 8.280 nan 0.000 0.489 200 E N 0.273 120.597 120.200 0.205 0.000 2.136 200 E HA -0.253 4.097 4.350 0.001 0.000 0.202 200 E C 2.458 179.099 176.600 0.068 0.000 1.019 200 E CA 1.327 57.792 56.400 0.108 0.000 0.819 200 E CB -0.565 29.190 29.700 0.091 0.000 0.739 200 E HN 0.553 nan 8.360 nan 0.000 0.458 201 G N 1.172 110.006 108.800 0.057 0.000 2.422 201 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 201 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 201 G C 1.542 176.484 174.900 0.069 0.000 1.146 201 G CA 0.631 45.745 45.100 0.024 0.000 0.769 201 G HN 0.323 nan 8.290 nan 0.000 0.547 202 L N 0.298 121.608 121.223 0.145 0.000 2.141 202 L HA 0.164 4.505 4.340 0.001 0.000 0.209 202 L C 2.414 179.397 176.870 0.187 0.000 1.094 202 L CA 1.144 56.147 54.840 0.271 0.000 0.763 202 L CB -0.059 42.112 42.059 0.187 0.000 0.908 202 L HN 0.273 nan 8.230 nan 0.000 0.437 203 A N -0.713 122.162 122.820 0.090 0.000 2.708 203 A HA 0.255 4.576 4.320 0.001 0.000 0.293 203 A C 0.636 178.241 177.584 0.036 0.000 1.303 203 A CA 0.043 52.108 52.037 0.047 0.000 0.949 203 A CB -0.378 18.621 19.000 -0.001 0.000 1.121 203 A HN 0.421 nan 8.150 nan 0.000 0.542 204 S N -0.870 114.851 115.700 0.035 0.000 2.610 204 S HA 0.317 4.788 4.470 0.001 0.000 0.273 204 S C 0.709 175.310 174.600 0.000 0.000 1.274 204 S CA -0.092 58.110 58.200 0.004 0.000 1.023 204 S CB 0.866 64.051 63.200 -0.025 0.000 0.962 204 S HN 0.492 nan 8.310 nan 0.000 0.523 205 E N 1.642 121.836 120.200 -0.009 0.000 2.072 205 E HA -0.356 3.995 4.350 0.001 0.000 0.218 205 E C 1.974 178.561 176.600 -0.022 0.000 1.051 205 E CA 2.118 58.511 56.400 -0.012 0.000 0.880 205 E CB -0.600 29.089 29.700 -0.018 0.000 0.783 205 E HN 0.765 nan 8.360 nan 0.000 0.473 206 Q N -0.095 119.671 119.800 -0.058 0.000 2.084 206 Q HA -0.256 4.085 4.340 0.001 0.000 0.215 206 Q C 2.186 178.136 176.000 -0.083 0.000 1.020 206 Q CA 2.483 58.224 55.803 -0.104 0.000 0.887 206 Q CB -0.285 28.346 28.738 -0.178 0.000 0.975 206 Q HN 0.318 nan 8.270 nan 0.000 0.413 207 M N -0.711 118.850 119.600 -0.065 0.000 2.098 207 M HA -0.043 4.438 4.480 0.001 0.000 0.262 207 M C 2.187 178.578 176.300 0.153 0.000 1.072 207 M CA 1.144 56.467 55.300 0.037 0.000 1.133 207 M CB -0.975 31.680 32.600 0.091 0.000 1.344 207 M HN 0.195 nan 8.290 nan 0.000 0.414 208 I N 0.085 120.711 120.570 0.093 0.000 2.185 208 I HA -0.303 3.868 4.170 0.001 0.000 0.246 208 I C 2.397 178.542 176.117 0.047 0.000 1.088 208 I CA 1.458 62.796 61.300 0.063 0.000 1.347 208 I CB -1.567 36.455 38.000 0.037 0.000 1.041 208 I HN 0.268 nan 8.210 nan 0.000 0.415 209 S N -0.162 115.566 115.700 0.046 0.000 2.368 209 S HA -0.200 4.271 4.470 0.001 0.000 0.224 209 S C 1.945 176.591 174.600 0.077 0.000 1.029 209 S CA 1.002 59.227 58.200 0.041 0.000 0.988 209 S CB -0.478 62.737 63.200 0.026 0.000 0.838 209 S HN 0.449 nan 8.310 nan 0.000 0.462 210 Y N 2.651 122.933 120.300 -0.029 0.000 2.053 210 Y HA -0.191 4.360 4.550 0.001 0.000 0.277 210 Y C 1.872 177.776 175.900 0.008 0.000 1.159 210 Y CA 1.427 59.523 58.100 -0.006 0.000 1.125 210 Y CB -0.842 37.608 38.460 -0.017 0.000 0.969 210 Y HN 0.159 nan 8.280 nan 0.000 0.492 211 L N -0.098 121.030 121.223 -0.160 0.000 2.042 211 L HA -0.265 4.075 4.340 0.001 0.000 0.210 211 L C 2.573 179.314 176.870 -0.215 0.000 1.076 211 L CA 1.568 56.216 54.840 -0.319 0.000 0.749 211 L CB -0.699 41.250 42.059 -0.182 0.000 0.893 211 L HN 0.105 nan 8.230 nan 0.000 0.432 212 K N 0.278 120.618 120.400 -0.101 0.000 2.032 212 K HA -0.167 4.154 4.320 0.001 0.000 0.209 212 K C 1.702 178.262 176.600 -0.068 0.000 1.048 212 K CA 1.471 57.720 56.287 -0.063 0.000 0.927 212 K CB -0.682 31.804 32.500 -0.024 0.000 0.712 212 K HN 0.393 nan 8.250 nan 0.000 0.441 213 D N 1.160 121.523 120.400 -0.063 0.000 2.088 213 D HA -0.187 4.453 4.640 0.001 0.000 0.191 213 D C 2.034 178.279 176.300 -0.093 0.000 0.992 213 D CA 0.785 54.758 54.000 -0.046 0.000 0.831 213 D CB -0.536 40.271 40.800 0.012 0.000 0.973 213 D HN 0.001 nan 8.370 nan 0.000 0.447 214 L N 0.269 121.363 121.223 -0.214 0.000 2.021 214 L HA -0.145 4.195 4.340 0.001 0.000 0.215 214 L C 1.699 178.493 176.870 -0.126 0.000 1.074 214 L CA 2.799 57.502 54.840 -0.228 0.000 0.760 214 L CB -0.769 41.008 42.059 -0.470 0.000 0.889 214 L HN 0.417 nan 8.230 nan 0.000 0.433 215 G N -2.118 106.608 108.800 -0.124 0.000 2.192 215 G HA2 -0.194 3.766 3.960 0.001 0.000 0.193 215 G HA3 -0.194 3.766 3.960 0.001 0.000 0.193 215 G C 0.326 175.204 174.900 -0.037 0.000 0.999 215 G CA -0.004 45.062 45.100 -0.056 0.000 0.659 215 G HN 0.707 nan 8.290 nan 0.000 0.503 216 I N 0.157 120.682 120.570 -0.075 0.000 2.938 216 I HA 0.645 4.815 4.170 0.001 0.000 0.285 216 I C 1.456 177.555 176.117 -0.030 0.000 1.182 216 I CA 0.830 62.110 61.300 -0.034 0.000 1.388 216 I CB 0.706 38.675 38.000 -0.053 0.000 1.390 216 I HN 0.256 nan 8.210 nan 0.000 0.600 217 T N -0.598 113.958 114.554 0.004 0.000 3.038 217 T HA 0.232 4.582 4.350 0.001 0.000 0.244 217 T C 0.767 175.468 174.700 0.000 0.000 1.016 217 T CA 0.647 62.747 62.100 0.001 0.000 1.098 217 T CB -0.480 68.395 68.868 0.011 0.000 0.954 217 T HN 0.976 nan 8.240 nan 0.000 0.469 218 T N 0.931 115.492 114.554 0.012 0.000 2.893 218 T HA 0.708 5.058 4.350 0.001 0.000 0.291 218 T C -0.712 174.009 174.700 0.034 0.000 1.028 218 T CA -0.649 61.458 62.100 0.011 0.000 0.995 218 T CB 2.003 70.869 68.868 -0.004 0.000 1.051 218 T HN 0.629 nan 8.240 nan 0.000 0.470 219 V N 0.069 119.994 119.914 0.019 0.000 2.417 219 V HA 0.660 4.780 4.120 0.001 0.000 0.291 219 V C -0.132 175.964 176.094 0.004 0.000 1.024 219 V CA -0.865 61.460 62.300 0.041 0.000 0.861 219 V CB 1.380 33.201 31.823 -0.003 0.000 0.985 219 V HN 1.113 nan 8.190 nan 0.000 0.436 220 E N 4.676 124.884 120.200 0.013 0.000 2.035 220 E HA 0.470 4.821 4.350 0.001 0.000 0.271 220 E C -0.900 175.668 176.600 -0.052 0.000 0.953 220 E CA -0.634 55.754 56.400 -0.020 0.000 0.777 220 E CB 1.063 30.773 29.700 0.017 0.000 1.104 220 E HN 0.814 nan 8.360 nan 0.000 0.408 221 L N 4.539 125.715 121.223 -0.077 0.000 2.380 221 L HA 0.247 4.587 4.340 0.001 0.000 0.273 221 L C 0.953 177.710 176.870 -0.189 0.000 1.138 221 L CA -0.335 54.435 54.840 -0.117 0.000 0.832 221 L CB 0.584 42.611 42.059 -0.053 0.000 1.124 221 L HN 0.443 nan 8.230 nan 0.000 0.454 222 M N 2.449 121.881 119.600 -0.280 0.000 2.207 222 M HA 0.191 4.672 4.480 0.001 0.000 0.311 222 M C -2.073 173.959 176.300 -0.448 0.000 1.127 222 M CA -1.480 53.562 55.300 -0.429 0.000 1.181 222 M CB -0.541 31.740 32.600 -0.531 0.000 1.409 222 M HN 0.236 nan 8.290 nan 0.000 0.461 223 P HA -0.085 nan 4.420 nan 0.000 0.259 223 P C 0.396 177.635 177.300 -0.102 0.000 1.155 223 P CA 0.419 63.213 63.100 -0.511 0.000 0.759 223 P CB 0.120 31.365 31.700 -0.758 0.000 0.753 224 V N 0.677 120.613 119.914 0.037 0.000 3.398 224 V HA 0.300 4.421 4.120 0.001 0.000 0.298 224 V C 0.143 176.506 176.094 0.448 0.000 1.496 224 V CA -0.073 62.428 62.300 0.335 0.000 1.044 224 V CB -0.791 31.228 31.823 0.327 0.000 0.880 224 V HN 0.057 nan 8.190 nan 0.000 0.443 225 F N 2.835 122.796 119.950 0.017 0.000 2.571 225 F HA 0.270 4.798 4.527 0.001 0.000 0.390 225 F C 1.227 177.148 175.800 0.203 0.000 1.043 225 F CA -0.472 57.596 58.000 0.113 0.000 1.164 225 F CB -1.028 37.981 39.000 0.015 0.000 1.049 225 F HN 0.293 nan 8.300 nan 0.000 0.552 226 H N 5.243 124.420 119.070 0.178 0.000 3.199 226 H HA -0.130 4.427 4.556 0.001 0.000 0.267 226 H C -0.481 174.861 175.328 0.023 0.000 0.848 226 H CA 0.799 56.822 56.048 -0.042 0.000 1.426 226 H CB -0.127 29.598 29.762 -0.060 0.000 1.350 226 H HN 0.513 nan 8.280 nan 0.000 0.527 227 F N 3.554 123.512 119.950 0.012 0.000 2.620 227 F HA 0.634 5.161 4.527 0.001 0.000 0.320 227 F C -0.957 174.868 175.800 0.042 0.000 1.069 227 F CA -1.466 56.573 58.000 0.066 0.000 0.953 227 F CB 0.838 39.875 39.000 0.061 0.000 1.322 227 F HN 0.178 nan 8.300 nan 0.000 0.479 228 I N 0.976 121.773 120.570 0.378 0.000 2.648 228 I HA 0.281 4.451 4.170 0.001 0.000 0.304 228 I C -0.990 175.349 176.117 0.370 0.000 1.009 228 I CA -0.910 60.542 61.300 0.253 0.000 1.114 228 I CB 1.711 39.799 38.000 0.145 0.000 1.293 228 I HN 0.514 nan 8.210 nan 0.000 0.449 229 D N 5.209 125.805 120.400 0.327 0.000 2.374 229 D HA 0.206 4.847 4.640 0.001 0.000 0.240 229 D C -0.388 176.185 176.300 0.454 0.000 1.229 229 D CA -0.264 53.944 54.000 0.347 0.000 0.895 229 D CB 0.411 41.391 40.800 0.301 0.000 1.046 229 D HN 0.293 nan 8.370 nan 0.000 0.498 230 Q N 0.953 120.885 119.800 0.221 0.000 2.568 230 Q HA -0.182 4.158 4.340 0.001 0.000 0.367 230 Q C 1.437 177.244 176.000 -0.322 0.000 1.138 230 Q CA 0.628 56.399 55.803 -0.053 0.000 1.109 230 Q CB 0.648 29.042 28.738 -0.574 0.000 1.138 230 Q HN 0.386 nan 8.270 nan 0.000 0.419 231 R N 2.045 122.102 120.500 -0.739 0.000 2.073 231 R HA -0.189 4.152 4.340 0.001 0.000 0.234 231 R C 1.718 177.706 176.300 -0.520 0.000 1.134 231 R CA 1.821 57.205 56.100 -1.193 0.000 0.952 231 R CB -0.227 29.202 30.300 -1.452 0.000 0.850 231 R HN 0.796 nan 8.270 nan 0.000 0.433 232 F N -0.698 119.123 119.950 -0.215 0.000 2.408 232 F HA -0.027 4.501 4.527 0.001 0.000 0.300 232 F C 1.398 177.179 175.800 -0.032 0.000 1.090 232 F CA 0.427 58.373 58.000 -0.090 0.000 1.427 232 F CB -0.383 38.624 39.000 0.011 0.000 1.070 232 F HN 0.006 nan 8.300 nan 0.000 0.549 233 L N 0.588 121.477 121.223 -0.557 0.000 2.202 233 L HA 0.020 4.360 4.340 0.001 0.000 0.205 233 L C 2.366 179.155 176.870 -0.135 0.000 1.083 233 L CA 1.605 56.290 54.840 -0.258 0.000 0.790 233 L CB -1.267 40.613 42.059 -0.298 0.000 0.942 233 L HN 0.198 nan 8.230 nan 0.000 0.452 234 T N -0.719 113.748 114.554 -0.145 0.000 2.777 234 T HA -0.138 4.212 4.350 0.001 0.000 0.266 234 T C 1.087 175.752 174.700 -0.059 0.000 1.040 234 T CA 1.412 63.485 62.100 -0.045 0.000 1.141 234 T CB -0.231 68.648 68.868 0.020 0.000 0.868 234 T HN 0.251 nan 8.240 nan 0.000 0.444 235 D N 1.148 121.487 120.400 -0.102 0.000 2.371 235 D HA 0.027 4.667 4.640 0.001 0.000 0.234 235 D C 1.101 177.363 176.300 -0.063 0.000 1.049 235 D CA 0.668 54.623 54.000 -0.074 0.000 0.907 235 D CB 0.003 40.753 40.800 -0.083 0.000 0.891 235 D HN 0.401 nan 8.370 nan 0.000 0.531 236 K N -0.742 119.615 120.400 -0.071 0.000 2.506 236 K HA 0.255 4.576 4.320 0.001 0.000 0.204 236 K C 0.771 177.323 176.600 -0.080 0.000 1.045 236 K CA -0.113 56.120 56.287 -0.090 0.000 1.074 236 K CB 1.365 33.783 32.500 -0.135 0.000 0.842 236 K HN -0.032 nan 8.250 nan 0.000 0.514 237 G N 1.912 110.680 108.800 -0.053 0.000 2.283 237 G HA2 -0.281 3.679 3.960 0.001 0.000 0.280 237 G HA3 -0.281 3.679 3.960 0.001 0.000 0.280 237 G C -0.098 174.772 174.900 -0.050 0.000 1.029 237 G CA 0.505 45.581 45.100 -0.041 0.000 0.840 237 G HN 0.219 nan 8.290 nan 0.000 0.505 238 L N -1.522 119.669 121.223 -0.053 0.000 2.235 238 L HA 0.956 5.296 4.340 0.001 0.000 0.260 238 L C 0.490 177.346 176.870 -0.022 0.000 1.025 238 L CA -0.497 54.303 54.840 -0.068 0.000 0.836 238 L CB 2.485 44.479 42.059 -0.107 0.000 1.395 238 L HN 0.281 nan 8.230 nan 0.000 0.443 239 T N -1.412 113.131 114.554 -0.019 0.000 2.883 239 T HA 0.289 4.639 4.350 0.001 0.000 0.301 239 T C -1.034 173.718 174.700 0.086 0.000 1.158 239 T CA -0.688 61.455 62.100 0.071 0.000 1.007 239 T CB 1.567 70.514 68.868 0.132 0.000 1.186 239 T HN 0.461 nan 8.240 nan 0.000 0.499 240 N N 2.672 121.485 118.700 0.189 0.000 2.448 240 N HA 0.115 4.855 4.740 0.001 0.000 0.250 240 N C 0.083 175.772 175.510 0.298 0.000 1.136 240 N CA -0.186 53.000 53.050 0.228 0.000 0.953 240 N CB 0.205 38.833 38.487 0.234 0.000 1.251 240 N HN 0.715 nan 8.380 nan 0.000 0.502 241 Y N 4.134 124.535 120.300 0.169 0.000 2.365 241 Y HA 0.069 4.620 4.550 0.001 0.000 0.293 241 Y C 1.075 177.332 175.900 0.594 0.000 1.119 241 Y CA 1.025 59.326 58.100 0.335 0.000 1.203 241 Y CB 0.017 38.592 38.460 0.192 0.000 1.026 241 Y HN 0.442 nan 8.280 nan 0.000 0.549 242 W N 0.257 121.633 121.300 0.127 0.000 2.441 242 W HA 0.247 4.907 4.660 0.001 0.000 0.302 242 W C 2.112 178.388 176.519 -0.404 0.000 1.191 242 W CA 2.073 59.423 57.345 0.009 0.000 1.327 242 W CB -0.924 28.764 29.460 0.381 0.000 1.128 242 W HN 0.250 nan 8.180 nan 0.000 0.522 243 G N -2.312 106.259 108.800 -0.381 0.000 2.168 243 G HA2 -0.284 3.677 3.960 0.001 0.000 0.197 243 G HA3 -0.284 3.677 3.960 0.001 0.000 0.197 243 G C 0.031 174.516 174.900 -0.692 0.000 0.997 243 G CA -0.184 44.050 45.100 -1.443 0.000 0.658 243 G HN 0.242 nan 8.290 nan 0.000 0.513 244 Y N 1.402 121.619 120.300 -0.138 0.000 3.057 244 Y HA 0.433 4.984 4.550 0.001 0.000 0.389 244 Y C 0.749 176.733 175.900 0.140 0.000 1.049 244 Y CA 0.512 58.627 58.100 0.023 0.000 1.876 244 Y CB 0.162 38.712 38.460 0.151 0.000 1.918 244 Y HN 0.210 nan 8.280 nan 0.000 0.446 245 D N 0.539 121.030 120.400 0.151 0.000 2.846 245 D HA 0.137 4.777 4.640 0.001 0.000 0.279 245 D C -2.742 173.672 176.300 0.190 0.000 1.222 245 D CA -1.405 52.730 54.000 0.225 0.000 0.769 245 D CB 1.022 42.005 40.800 0.305 0.000 1.299 245 D HN -0.027 nan 8.370 nan 0.000 0.537 246 P HA 0.115 nan 4.420 nan 0.000 0.271 246 P C 0.233 177.549 177.300 0.027 0.000 1.218 246 P CA -0.393 62.774 63.100 0.112 0.000 0.780 246 P CB 1.984 33.726 31.700 0.070 0.000 0.901 247 I N 0.690 121.290 120.570 0.049 0.000 4.312 247 I HA 0.287 4.457 4.170 0.001 0.000 0.324 247 I C -0.029 176.054 176.117 -0.057 0.000 1.298 247 I CA 0.347 61.672 61.300 0.042 0.000 1.231 247 I CB 0.189 38.224 38.000 0.058 0.000 1.152 247 I HN 0.310 nan 8.210 nan 0.000 0.421 248 N N -0.714 117.907 118.700 -0.131 0.000 2.277 248 N HA 0.159 4.900 4.740 0.001 0.000 0.286 248 N C -0.891 174.516 175.510 -0.172 0.000 1.140 248 N CA -0.347 52.605 53.050 -0.164 0.000 0.799 248 N CB 1.388 39.817 38.487 -0.098 0.000 1.596 248 N HN -0.105 nan 8.380 nan 0.000 0.473 249 F N 1.138 121.102 119.950 0.024 0.000 2.678 249 F HA 0.429 4.957 4.527 0.001 0.000 0.305 249 F C 0.672 175.980 175.800 -0.821 0.000 1.090 249 F CA -0.178 57.575 58.000 -0.410 0.000 1.272 249 F CB 0.070 38.949 39.000 -0.202 0.000 1.060 249 F HN 0.405 nan 8.300 nan 0.000 0.576 250 F N -1.685 118.195 119.950 -0.117 0.000 2.789 250 F HA 0.239 4.767 4.527 0.001 0.000 0.320 250 F C 0.814 176.509 175.800 -0.176 0.000 1.079 250 F CA -0.036 57.840 58.000 -0.207 0.000 1.205 250 F CB 0.122 38.804 39.000 -0.530 0.000 1.046 250 F HN -0.415 nan 8.300 nan 0.000 0.586 251 S N 3.261 119.006 115.700 0.075 0.000 2.462 251 S HA 0.386 4.856 4.470 0.001 0.000 0.294 251 S C -2.620 172.102 174.600 0.202 0.000 1.144 251 S CA -1.367 56.879 58.200 0.076 0.000 1.088 251 S CB 1.227 64.441 63.200 0.023 0.000 1.009 251 S HN -0.162 nan 8.310 nan 0.000 0.484 252 P HA 0.195 nan 4.420 nan 0.000 0.280 252 P C -0.347 177.120 177.300 0.278 0.000 1.244 252 P CA -0.438 62.812 63.100 0.251 0.000 0.784 252 P CB 0.462 32.152 31.700 -0.017 0.000 0.913 253 E N 2.273 122.632 120.200 0.265 0.000 2.529 253 E HA -0.100 4.251 4.350 0.001 0.000 0.259 253 E C 1.034 177.589 176.600 -0.075 0.000 0.966 253 E CA -0.004 56.312 56.400 -0.140 0.000 0.937 253 E CB -0.193 29.305 29.700 -0.338 0.000 0.923 253 E HN 0.549 nan 8.360 nan 0.000 0.468 254 c N 5.558 123.992 118.600 -0.277 0.000 2.448 254 c HA 0.089 4.660 4.570 0.001 0.000 0.280 254 c C 1.941 175.933 174.090 -0.164 0.000 1.398 254 c CA 0.706 56.990 56.329 -0.076 0.000 1.774 254 c CB -0.771 41.734 42.510 -0.008 0.000 1.888 254 c HN 0.857 nan 8.230 nan 0.000 0.519 255 R N -1.271 118.973 120.500 -0.427 0.000 2.328 255 R HA 0.063 4.404 4.340 0.001 0.000 0.200 255 R C 0.546 176.598 176.300 -0.412 0.000 0.983 255 R CA 0.792 56.641 56.100 -0.419 0.000 1.062 255 R CB -0.532 29.458 30.300 -0.516 0.000 0.956 255 R HN 0.575 nan 8.270 nan 0.000 0.479 256 Y N -0.103 120.105 120.300 -0.153 0.000 2.500 256 Y HA 0.255 4.806 4.550 0.001 0.000 0.246 256 Y C 0.668 176.343 175.900 -0.376 0.000 1.146 256 Y CA -0.837 57.018 58.100 -0.408 0.000 1.230 256 Y CB 0.609 38.529 38.460 -0.900 0.000 1.214 256 Y HN 0.064 nan 8.280 nan 0.000 0.526 257 S N 0.309 116.064 115.700 0.093 0.000 2.513 257 S HA 0.198 4.668 4.470 0.001 0.000 0.276 257 S C 1.029 175.706 174.600 0.128 0.000 1.254 257 S CA -0.084 58.261 58.200 0.243 0.000 1.053 257 S CB 0.969 64.333 63.200 0.274 0.000 0.958 257 S HN 0.265 nan 8.310 nan 0.000 0.491 258 S N 2.590 118.372 115.700 0.137 0.000 2.558 258 S HA 0.055 4.526 4.470 0.001 0.000 0.217 258 S C 0.966 175.608 174.600 0.070 0.000 0.975 258 S CA 0.330 58.580 58.200 0.083 0.000 0.912 258 S CB -0.272 62.974 63.200 0.077 0.000 0.776 258 S HN 0.950 nan 8.310 nan 0.000 0.526 259 T N -0.484 114.121 114.554 0.086 0.000 3.415 259 T HA 0.530 4.880 4.350 0.001 0.000 0.282 259 T C 0.718 175.452 174.700 0.057 0.000 1.007 259 T CA -0.322 61.817 62.100 0.066 0.000 0.958 259 T CB 0.182 69.093 68.868 0.071 0.000 1.171 259 T HN 0.256 nan 8.240 nan 0.000 0.500 260 G N 0.241 109.071 108.800 0.050 0.000 2.732 260 G HA2 0.296 4.257 3.960 0.001 0.000 0.244 260 G HA3 0.296 4.257 3.960 0.001 0.000 0.244 260 G C 1.162 176.096 174.900 0.056 0.000 1.226 260 G CA 0.241 45.376 45.100 0.059 0.000 0.860 260 G HN 1.673 nan 8.290 nan 0.000 0.583 261 c N -1.067 117.573 118.600 0.067 0.000 5.630 261 c HA -0.138 4.432 4.570 0.001 0.000 0.238 261 c C 1.031 175.139 174.090 0.030 0.000 1.548 261 c CA 1.070 57.427 56.329 0.046 0.000 1.383 261 c CB -1.733 40.816 42.510 0.065 0.000 2.325 261 c HN 1.187 nan 8.230 nan 0.000 0.594 262 L N 0.812 122.052 121.223 0.029 0.000 3.298 262 L HA 0.659 5.000 4.340 0.001 0.000 0.296 262 L C 1.618 178.500 176.870 0.019 0.000 1.237 262 L CA 1.793 56.642 54.840 0.014 0.000 1.038 262 L CB 0.447 42.510 42.059 0.006 0.000 1.423 262 L HN 1.421 nan 8.230 nan 0.000 0.605 263 G N -1.662 107.157 108.800 0.032 0.000 2.367 263 G HA2 -0.179 3.781 3.960 0.001 0.000 0.181 263 G HA3 -0.179 3.781 3.960 0.001 0.000 0.181 263 G C 0.997 175.923 174.900 0.043 0.000 1.000 263 G CA 0.004 45.124 45.100 0.032 0.000 0.693 263 G HN 0.442 nan 8.290 nan 0.000 0.480 264 G N 0.698 109.531 108.800 0.055 0.000 2.838 264 G HA2 0.230 4.191 3.960 0.001 0.000 0.210 264 G HA3 0.230 4.191 3.960 0.001 0.000 0.210 264 G C 1.629 176.594 174.900 0.108 0.000 1.153 264 G CA 1.464 46.606 45.100 0.071 0.000 0.778 264 G HN 0.660 nan 8.290 nan 0.000 0.539 265 Q N 0.967 120.841 119.800 0.124 0.000 2.079 265 Q HA -0.070 4.271 4.340 0.001 0.000 0.200 265 Q C 2.444 178.507 176.000 0.104 0.000 0.974 265 Q CA 1.849 57.770 55.803 0.196 0.000 0.840 265 Q CB -1.125 27.738 28.738 0.208 0.000 0.898 265 Q HN 0.503 nan 8.270 nan 0.000 0.430 266 V N -0.053 119.881 119.914 0.034 0.000 2.488 266 V HA -0.102 4.018 4.120 0.001 0.000 0.246 266 V C 2.217 178.272 176.094 -0.065 0.000 1.046 266 V CA 0.657 62.929 62.300 -0.045 0.000 1.053 266 V CB -0.374 31.416 31.823 -0.055 0.000 0.679 266 V HN 0.300 nan 8.190 nan 0.000 0.458 267 L N 0.468 121.681 121.223 -0.015 0.000 2.046 267 L HA -0.083 4.257 4.340 0.001 0.000 0.208 267 L C 2.686 179.548 176.870 -0.014 0.000 1.077 267 L CA 2.569 57.405 54.840 -0.006 0.000 0.747 267 L CB -0.981 41.118 42.059 0.067 0.000 0.896 267 L HN 0.570 nan 8.230 nan 0.000 0.432 268 S N -1.070 114.661 115.700 0.051 0.000 2.402 268 S HA -0.191 4.279 4.470 0.001 0.000 0.229 268 S C 1.881 176.486 174.600 0.008 0.000 1.021 268 S CA 0.877 59.135 58.200 0.097 0.000 0.974 268 S CB -0.259 63.087 63.200 0.244 0.000 0.800 268 S HN 0.427 nan 8.310 nan 0.000 0.484 269 F N 2.039 121.816 119.950 -0.287 0.000 2.113 269 F HA 0.039 4.566 4.527 0.001 0.000 0.297 269 F C 2.143 177.740 175.800 -0.339 0.000 1.103 269 F CA 1.514 59.243 58.000 -0.452 0.000 1.248 269 F CB -0.240 38.453 39.000 -0.512 0.000 0.999 269 F HN 0.094 nan 8.300 nan 0.000 0.475 270 K N 0.270 120.469 120.400 -0.335 0.000 2.032 270 K HA -0.209 4.112 4.320 0.001 0.000 0.209 270 K C 2.008 178.125 176.600 -0.805 0.000 1.048 270 K CA 1.834 57.635 56.287 -0.811 0.000 0.927 270 K CB -0.263 31.137 32.500 -1.833 0.000 0.712 270 K HN 0.243 nan 8.250 nan 0.000 0.441 271 K N 0.782 120.893 120.400 -0.483 0.000 2.074 271 K HA -0.184 4.136 4.320 0.001 0.000 0.209 271 K C 2.208 178.742 176.600 -0.111 0.000 1.048 271 K CA 1.713 57.951 56.287 -0.082 0.000 0.926 271 K CB -0.182 32.345 32.500 0.045 0.000 0.713 271 K HN 0.234 nan 8.250 nan 0.000 0.444 272 M N 0.962 120.445 119.600 -0.195 0.000 2.117 272 M HA -0.169 4.311 4.480 0.001 0.000 0.262 272 M C 1.888 178.048 176.300 -0.233 0.000 1.065 272 M CA 1.657 56.839 55.300 -0.196 0.000 1.114 272 M CB 0.018 32.455 32.600 -0.271 0.000 1.361 272 M HN -0.045 nan 8.290 nan 0.000 0.408 273 V N 1.253 120.976 119.914 -0.318 0.000 2.270 273 V HA -0.274 3.846 4.120 0.001 0.000 0.245 273 V C 2.372 178.359 176.094 -0.179 0.000 1.043 273 V CA 2.094 64.216 62.300 -0.297 0.000 1.014 273 V CB -1.484 30.227 31.823 -0.186 0.000 0.645 273 V HN 0.598 nan 8.190 nan 0.000 0.447 274 N N 0.307 119.075 118.700 0.113 0.000 2.049 274 N HA -0.264 4.477 4.740 0.001 0.000 0.198 274 N C 1.911 177.499 175.510 0.130 0.000 1.030 274 N CA 2.068 55.270 53.050 0.253 0.000 0.870 274 N CB -0.147 38.488 38.487 0.247 0.000 1.045 274 N HN 0.468 nan 8.380 nan 0.000 0.434 275 E N 0.723 120.950 120.200 0.045 0.000 2.110 275 E HA -0.122 4.228 4.350 0.001 0.000 0.193 275 E C 2.298 178.918 176.600 0.033 0.000 0.988 275 E CA 0.499 56.922 56.400 0.037 0.000 0.804 275 E CB -0.251 29.456 29.700 0.011 0.000 0.745 275 E HN 0.464 nan 8.360 nan 0.000 0.458 276 L N 0.186 121.399 121.223 -0.017 0.000 2.027 276 L HA -0.181 4.159 4.340 0.001 0.000 0.206 276 L C 2.556 179.487 176.870 0.102 0.000 1.074 276 L CA 1.035 55.872 54.840 -0.005 0.000 0.745 276 L CB -0.540 41.468 42.059 -0.085 0.000 0.898 276 L HN 0.136 nan 8.230 nan 0.000 0.433 277 H N 0.177 119.280 119.070 0.055 0.000 2.319 277 H HA -0.155 4.401 4.556 0.001 0.000 0.299 277 H C 2.042 177.406 175.328 0.059 0.000 1.092 277 H CA 1.428 57.510 56.048 0.058 0.000 1.302 277 H CB -0.749 29.070 29.762 0.096 0.000 1.373 277 H HN 0.399 nan 8.280 nan 0.000 0.497 278 N N 0.042 118.867 118.700 0.209 0.000 2.247 278 N HA -0.153 4.588 4.740 0.001 0.000 0.189 278 N C 1.343 176.902 175.510 0.081 0.000 1.009 278 N CA 0.745 53.872 53.050 0.128 0.000 0.872 278 N CB 0.023 38.574 38.487 0.106 0.000 0.980 278 N HN 0.299 nan 8.380 nan 0.000 0.436 279 A N 0.172 123.039 122.820 0.079 0.000 2.387 279 A HA 0.421 4.741 4.320 0.001 0.000 0.234 279 A C 1.145 178.753 177.584 0.040 0.000 1.253 279 A CA 0.314 52.379 52.037 0.047 0.000 0.894 279 A CB -0.048 18.973 19.000 0.035 0.000 0.963 279 A HN 0.232 nan 8.150 nan 0.000 0.508 280 G N 0.024 108.859 108.800 0.057 0.000 2.324 280 G HA2 -0.204 3.756 3.960 0.001 0.000 0.292 280 G HA3 -0.204 3.756 3.960 0.001 0.000 0.292 280 G C -0.256 174.666 174.900 0.036 0.000 1.079 280 G CA 0.514 45.634 45.100 0.034 0.000 1.026 280 G HN 0.551 nan 8.290 nan 0.000 0.506 281 I N 0.007 120.629 120.570 0.085 0.000 2.478 281 I HA 0.295 4.466 4.170 0.001 0.000 0.287 281 I C 0.454 176.655 176.117 0.140 0.000 1.042 281 I CA -0.878 60.464 61.300 0.070 0.000 1.067 281 I CB 1.607 39.628 38.000 0.035 0.000 1.233 281 I HN 0.176 nan 8.210 nan 0.000 0.431 282 E N 4.502 124.746 120.200 0.072 0.000 2.392 282 E HA 0.391 4.742 4.350 0.001 0.000 0.256 282 E C -0.992 175.640 176.600 0.053 0.000 1.145 282 E CA -0.472 55.977 56.400 0.082 0.000 0.929 282 E CB 1.765 31.461 29.700 -0.006 0.000 0.998 282 E HN 0.228 nan 8.360 nan 0.000 0.442 283 V N 3.044 122.984 119.914 0.043 0.000 2.483 283 V HA 0.356 4.476 4.120 0.001 0.000 0.297 283 V C -0.330 175.715 176.094 -0.081 0.000 1.027 283 V CA -0.550 61.734 62.300 -0.027 0.000 0.855 283 V CB 1.045 32.838 31.823 -0.050 0.000 0.995 283 V HN 0.476 nan 8.190 nan 0.000 0.424 284 I N 6.109 126.624 120.570 -0.091 0.000 2.389 284 I HA 0.525 4.695 4.170 0.001 0.000 0.288 284 I C -0.165 175.878 176.117 -0.123 0.000 0.999 284 I CA -0.600 60.611 61.300 -0.149 0.000 1.129 284 I CB 1.779 39.709 38.000 -0.117 0.000 1.288 284 I HN 0.611 nan 8.210 nan 0.000 0.444 285 I N 1.758 122.231 120.570 -0.161 0.000 2.336 285 I HA 0.416 4.586 4.170 0.001 0.000 0.292 285 I C 0.003 175.985 176.117 -0.226 0.000 0.991 285 I CA -0.561 60.648 61.300 -0.153 0.000 1.227 285 I CB 1.048 38.960 38.000 -0.146 0.000 1.366 285 I HN 0.455 nan 8.210 nan 0.000 0.466 286 D N 5.805 126.048 120.400 -0.262 0.000 2.531 286 D HA 0.137 4.777 4.640 0.001 0.000 0.239 286 D C -0.508 175.466 176.300 -0.544 0.000 1.144 286 D CA 0.566 54.363 54.000 -0.338 0.000 0.869 286 D CB 1.395 41.993 40.800 -0.336 0.000 1.160 286 D HN 0.466 nan 8.370 nan 0.000 0.484 287 V N 1.882 121.450 119.914 -0.576 0.000 2.483 287 V HA 0.331 4.451 4.120 0.001 0.000 0.297 287 V C 0.177 175.886 176.094 -0.642 0.000 1.027 287 V CA -1.038 60.725 62.300 -0.893 0.000 0.855 287 V CB 1.744 33.041 31.823 -0.877 0.000 0.995 287 V HN 0.154 nan 8.190 nan 0.000 0.424 288 V N 5.364 124.823 119.914 -0.760 0.000 2.333 288 V HA 0.386 4.506 4.120 0.001 0.000 0.274 288 V C -0.237 175.611 176.094 -0.409 0.000 1.028 288 V CA 0.153 62.245 62.300 -0.347 0.000 0.851 288 V CB 0.741 32.456 31.823 -0.181 0.000 1.000 288 V HN 0.943 nan 8.190 nan 0.000 0.456 289 Y N 2.757 123.025 120.300 -0.053 0.000 2.471 289 Y HA 0.068 4.618 4.550 0.001 0.000 0.249 289 Y C 1.896 177.784 175.900 -0.020 0.000 1.116 289 Y CA -0.098 57.897 58.100 -0.175 0.000 1.240 289 Y CB 0.460 38.772 38.460 -0.247 0.000 1.251 289 Y HN 0.768 nan 8.280 nan 0.000 0.527 290 N N -0.089 118.745 118.700 0.224 0.000 2.395 290 N HA -0.009 4.732 4.740 0.001 0.000 0.175 290 N C 0.217 175.926 175.510 0.331 0.000 1.029 290 N CA 0.836 54.037 53.050 0.252 0.000 0.897 290 N CB -0.120 38.533 38.487 0.277 0.000 0.991 290 N HN 0.437 nan 8.380 nan 0.000 0.441 291 H N -4.128 115.080 119.070 0.230 0.000 2.990 291 H HA 0.689 5.246 4.556 0.001 0.000 0.343 291 H C -1.168 174.311 175.328 0.253 0.000 1.270 291 H CA -1.020 55.173 56.048 0.242 0.000 1.118 291 H CB 1.155 31.037 29.762 0.200 0.000 1.861 291 H HN -0.141 nan 8.280 nan 0.000 0.544 292 T N -0.610 114.071 114.554 0.210 0.000 2.870 292 T HA 0.581 4.932 4.350 0.001 0.000 0.277 292 T C 1.116 175.945 174.700 0.215 0.000 1.000 292 T CA -0.159 62.006 62.100 0.109 0.000 0.982 292 T CB 1.222 70.215 68.868 0.209 0.000 1.249 292 T HN 0.810 nan 8.240 nan 0.000 0.589 293 A N -0.209 122.727 122.820 0.195 0.000 2.275 293 A HA 0.174 4.494 4.320 0.001 0.000 0.212 293 A C 1.588 179.302 177.584 0.217 0.000 1.201 293 A CA 0.332 52.513 52.037 0.240 0.000 0.843 293 A CB -0.358 18.776 19.000 0.224 0.000 0.873 293 A HN 0.795 nan 8.150 nan 0.000 0.492 294 E N 0.146 120.465 120.200 0.198 0.000 2.478 294 E HA 0.145 4.496 4.350 0.001 0.000 0.198 294 E C 1.441 178.039 176.600 -0.002 0.000 1.046 294 E CA 0.163 56.634 56.400 0.118 0.000 0.870 294 E CB -0.242 29.571 29.700 0.187 0.000 0.818 294 E HN 0.653 nan 8.360 nan 0.000 0.527 295 G N 2.875 111.698 108.800 0.039 0.000 2.566 295 G HA2 -0.356 3.605 3.960 0.001 0.000 0.308 295 G HA3 -0.356 3.605 3.960 0.001 0.000 0.308 295 G C 0.304 175.021 174.900 -0.305 0.000 1.317 295 G CA 0.278 45.357 45.100 -0.035 0.000 0.930 295 G HN 0.409 nan 8.290 nan 0.000 0.547 296 N N 1.138 119.667 118.700 -0.286 0.000 2.292 296 N HA 0.085 4.826 4.740 0.001 0.000 0.278 296 N C 1.149 176.306 175.510 -0.587 0.000 1.289 296 N CA 0.508 53.264 53.050 -0.491 0.000 0.934 296 N CB -0.626 37.833 38.487 -0.047 0.000 1.069 296 N HN 1.080 nan 8.380 nan 0.000 0.513 297 H N -1.241 117.492 119.070 -0.561 0.000 2.935 297 H HA -0.030 4.527 4.556 0.001 0.000 0.376 297 H C 1.362 176.599 175.328 -0.151 0.000 1.307 297 H CA 0.616 56.509 56.048 -0.257 0.000 1.442 297 H CB 0.123 29.748 29.762 -0.229 0.000 1.427 297 H HN 0.697 nan 8.280 nan 0.000 0.615 298 L N -1.911 119.091 121.223 -0.368 0.000 5.121 298 L HA -0.277 4.064 4.340 0.001 0.000 0.402 298 L C 1.318 178.456 176.870 0.446 0.000 0.826 298 L CA 1.608 56.341 54.840 -0.179 0.000 2.021 298 L CB -1.787 40.051 42.059 -0.369 0.000 1.272 298 L HN 0.914 nan 8.230 nan 0.000 0.617 299 G N 0.370 109.300 108.800 0.217 0.000 2.651 299 G HA2 0.472 4.432 3.960 0.001 0.000 0.260 299 G HA3 0.472 4.432 3.960 0.001 0.000 0.260 299 G C -2.208 172.811 174.900 0.198 0.000 1.216 299 G CA -0.319 44.938 45.100 0.261 0.000 0.913 299 G HN 0.092 nan 8.290 nan 0.000 0.535 300 P HA 0.290 nan 4.420 nan 0.000 0.279 300 P C -0.625 176.575 177.300 -0.166 0.000 1.282 300 P CA -0.208 62.542 63.100 -0.582 0.000 0.788 300 P CB 1.130 32.475 31.700 -0.592 0.000 1.139 301 T N 1.223 115.682 114.554 -0.158 0.000 3.064 301 T HA 0.380 4.731 4.350 0.001 0.000 0.367 301 T C 0.750 175.418 174.700 -0.053 0.000 1.202 301 T CA -0.148 61.939 62.100 -0.022 0.000 1.133 301 T CB -0.237 68.662 68.868 0.051 0.000 1.074 301 T HN 0.234 nan 8.240 nan 0.000 0.519 302 L N 0.627 121.822 121.223 -0.046 0.000 2.730 302 L HA 0.366 4.706 4.340 0.001 0.000 0.236 302 L C 1.763 178.559 176.870 -0.123 0.000 1.061 302 L CA 0.113 54.894 54.840 -0.098 0.000 0.898 302 L CB 0.427 42.417 42.059 -0.115 0.000 1.270 302 L HN 0.567 nan 8.230 nan 0.000 0.500 303 S N -1.530 114.093 115.700 -0.128 0.000 4.948 303 S HA 0.190 4.661 4.470 0.001 0.000 0.154 303 S C 1.139 175.507 174.600 -0.387 0.000 1.026 303 S CA -0.192 57.798 58.200 -0.349 0.000 1.308 303 S CB -0.531 62.313 63.200 -0.593 0.000 1.915 303 S HN 0.083 nan 8.310 nan 0.000 0.680 304 F N 2.464 122.324 119.950 -0.150 0.000 2.179 304 F HA 0.422 4.950 4.527 0.001 0.000 0.292 304 F C 2.575 178.355 175.800 -0.034 0.000 1.089 304 F CA 0.948 58.748 58.000 -0.334 0.000 1.295 304 F CB -0.456 38.192 39.000 -0.586 0.000 1.041 304 F HN 0.180 nan 8.300 nan 0.000 0.487 305 R N 0.774 121.508 120.500 0.391 0.000 2.103 305 R HA -0.163 4.178 4.340 0.001 0.000 0.242 305 R C 2.356 178.716 176.300 0.099 0.000 1.142 305 R CA 1.665 57.964 56.100 0.333 0.000 0.960 305 R CB -0.933 29.535 30.300 0.279 0.000 0.858 305 R HN 0.433 nan 8.270 nan 0.000 0.439 306 G N 0.627 109.463 108.800 0.060 0.000 2.404 306 G HA2 -0.205 3.756 3.960 0.001 0.000 0.214 306 G HA3 -0.205 3.756 3.960 0.001 0.000 0.214 306 G C 1.451 176.366 174.900 0.027 0.000 1.189 306 G CA 0.730 45.849 45.100 0.032 0.000 0.789 306 G HN 0.242 nan 8.290 nan 0.000 0.533 307 I N 0.076 120.665 120.570 0.033 0.000 2.127 307 I HA -0.038 4.133 4.170 0.001 0.000 0.241 307 I C 0.410 176.635 176.117 0.180 0.000 1.075 307 I CA 1.351 62.699 61.300 0.079 0.000 1.334 307 I CB 0.127 38.115 38.000 -0.020 0.000 1.040 307 I HN 0.066 nan 8.210 nan 0.000 0.405 308 D N -1.273 119.205 120.400 0.130 0.000 2.491 308 D HA 0.048 4.689 4.640 0.001 0.000 0.232 308 D C 0.027 176.432 176.300 0.174 0.000 1.334 308 D CA -0.171 53.897 54.000 0.114 0.000 0.909 308 D CB 0.057 40.878 40.800 0.036 0.000 1.513 308 D HN -0.129 nan 8.370 nan 0.000 0.514 309 N N 0.630 119.324 118.700 -0.009 0.000 2.216 309 N HA -0.102 4.639 4.740 0.001 0.000 0.183 309 N C 1.425 177.033 175.510 0.163 0.000 1.017 309 N CA 1.841 54.984 53.050 0.156 0.000 0.861 309 N CB 0.380 38.890 38.487 0.038 0.000 0.986 309 N HN 0.256 nan 8.380 nan 0.000 0.428 310 T N 0.115 114.715 114.554 0.076 0.000 2.665 310 T HA -0.086 4.264 4.350 0.001 0.000 0.268 310 T C 0.905 175.661 174.700 0.093 0.000 1.035 310 T CA 1.368 63.517 62.100 0.082 0.000 1.151 310 T CB -0.508 68.422 68.868 0.103 0.000 0.862 310 T HN 0.435 nan 8.240 nan 0.000 0.438 311 A N -1.190 121.649 122.820 0.031 0.000 2.250 311 A HA 0.591 4.911 4.320 0.001 0.000 0.283 311 A C 0.548 178.123 177.584 -0.013 0.000 1.206 311 A CA -0.206 51.737 52.037 -0.156 0.000 0.840 311 A CB -0.044 18.531 19.000 -0.708 0.000 1.220 311 A HN 0.623 nan 8.150 nan 0.000 0.505 312 Y N -3.701 116.553 120.300 -0.077 0.000 2.865 312 Y HA -0.315 4.235 4.550 0.001 0.000 0.480 312 Y C 0.035 175.774 175.900 -0.269 0.000 1.252 312 Y CA 2.191 60.159 58.100 -0.220 0.000 2.596 312 Y CB -1.447 36.807 38.460 -0.344 0.000 0.917 312 Y HN 0.614 nan 8.280 nan 0.000 0.522 313 Y N 0.516 120.957 120.300 0.234 0.000 2.361 313 Y HA 0.508 5.059 4.550 0.001 0.000 0.337 313 Y C 0.089 176.044 175.900 0.091 0.000 0.965 313 Y CA -1.302 56.915 58.100 0.194 0.000 1.091 313 Y CB 1.201 39.819 38.460 0.263 0.000 1.182 313 Y HN -0.222 nan 8.280 nan 0.000 0.450 314 M N 5.752 125.525 119.600 0.288 0.000 2.227 314 M HA 0.251 4.731 4.480 0.001 0.000 0.349 314 M C -1.017 175.310 176.300 0.045 0.000 1.443 314 M CA 0.442 55.831 55.300 0.149 0.000 1.110 314 M CB 0.093 32.797 32.600 0.174 0.000 1.773 314 M HN 0.425 nan 8.290 nan 0.000 0.463 315 L N 2.535 123.738 121.223 -0.034 0.000 2.334 315 L HA 0.391 4.731 4.340 0.001 0.000 0.273 315 L C 0.365 177.203 176.870 -0.053 0.000 1.013 315 L CA -0.921 53.840 54.840 -0.132 0.000 0.816 315 L CB 1.474 43.423 42.059 -0.183 0.000 1.278 315 L HN 0.617 nan 8.230 nan 0.000 0.431 316 Q N 4.220 124.004 119.800 -0.028 0.000 2.388 316 Q HA -0.026 4.315 4.340 0.001 0.000 0.302 316 Q C -1.432 174.597 176.000 0.048 0.000 1.149 316 Q CA -0.893 54.931 55.803 0.036 0.000 1.014 316 Q CB 0.804 29.580 28.738 0.064 0.000 1.072 316 Q HN 0.308 nan 8.270 nan 0.000 0.395 317 P HA -0.191 nan 4.420 nan 0.000 0.222 317 P C 0.122 177.462 177.300 0.067 0.000 1.147 317 P CA 1.281 64.427 63.100 0.076 0.000 0.790 317 P CB 0.198 31.970 31.700 0.121 0.000 0.780 318 D N -2.163 118.280 120.400 0.073 0.000 2.327 318 D HA -0.039 4.602 4.640 0.001 0.000 0.205 318 D C 1.536 177.861 176.300 0.041 0.000 0.989 318 D CA 0.302 54.333 54.000 0.050 0.000 0.873 318 D CB -0.345 40.480 40.800 0.043 0.000 0.955 318 D HN 0.087 nan 8.370 nan 0.000 0.515 319 N N 0.773 119.502 118.700 0.049 0.000 2.684 319 N HA -0.005 4.736 4.740 0.001 0.000 0.220 319 N C 0.457 175.989 175.510 0.036 0.000 1.037 319 N CA 0.553 53.641 53.050 0.063 0.000 0.975 319 N CB 0.624 39.187 38.487 0.126 0.000 1.426 319 N HN -0.029 nan 8.380 nan 0.000 0.450 320 K N -0.533 119.874 120.400 0.012 0.000 3.529 320 K HA -0.221 4.100 4.320 0.001 0.000 0.313 320 K C 1.085 177.621 176.600 -0.106 0.000 1.316 320 K CA 1.134 57.389 56.287 -0.053 0.000 0.988 320 K CB -0.678 31.804 32.500 -0.030 0.000 1.252 320 K HN 0.242 nan 8.250 nan 0.000 0.438 321 R N 0.075 120.539 120.500 -0.060 0.000 2.189 321 R HA 0.058 4.399 4.340 0.001 0.000 0.203 321 R C 0.323 176.431 176.300 -0.319 0.000 1.012 321 R CA 0.497 56.487 56.100 -0.183 0.000 1.015 321 R CB 0.310 30.502 30.300 -0.179 0.000 0.938 321 R HN 0.108 nan 8.270 nan 0.000 0.472 322 Y N -1.153 119.058 120.300 -0.148 0.000 2.596 322 Y HA 0.357 4.907 4.550 0.001 0.000 0.326 322 Y C -0.809 175.049 175.900 -0.071 0.000 1.167 322 Y CA -0.908 57.149 58.100 -0.072 0.000 1.246 322 Y CB 0.937 39.316 38.460 -0.136 0.000 1.347 322 Y HN -0.158 nan 8.280 nan 0.000 0.515 323 Y N 1.000 121.352 120.300 0.087 0.000 2.328 323 Y HA 0.396 4.946 4.550 0.001 0.000 0.336 323 Y C -0.536 175.362 175.900 -0.003 0.000 0.960 323 Y CA -1.061 57.058 58.100 0.032 0.000 1.134 323 Y CB 0.929 39.386 38.460 -0.006 0.000 1.166 323 Y HN 0.191 nan 8.280 nan 0.000 0.464 324 L N 4.476 125.731 121.223 0.055 0.000 2.601 324 L HA -0.012 4.328 4.340 0.001 0.000 0.277 324 L C 0.092 176.903 176.870 -0.100 0.000 1.219 324 L CA 0.746 55.522 54.840 -0.107 0.000 0.915 324 L CB 0.142 42.142 42.059 -0.098 0.000 1.160 324 L HN 0.684 nan 8.230 nan 0.000 0.494 325 D N 3.895 124.107 120.400 -0.313 0.000 2.389 325 D HA 0.182 4.822 4.640 0.001 0.000 0.256 325 D C 0.010 176.120 176.300 -0.318 0.000 1.239 325 D CA -0.435 53.465 54.000 -0.167 0.000 0.925 325 D CB 0.794 41.557 40.800 -0.061 0.000 1.145 325 D HN 0.314 nan 8.370 nan 0.000 0.542 326 F N 1.063 121.050 119.950 0.062 0.000 2.727 326 F HA 0.044 4.572 4.527 0.001 0.000 0.302 326 F C 2.527 178.367 175.800 0.067 0.000 1.097 326 F CA 0.254 58.291 58.000 0.063 0.000 1.330 326 F CB 0.469 39.505 39.000 0.060 0.000 1.084 326 F HN 0.302 nan 8.300 nan 0.000 0.578 327 T N -3.780 110.889 114.554 0.192 0.000 3.044 327 T HA 0.345 4.696 4.350 0.001 0.000 0.255 327 T C 1.834 176.525 174.700 -0.015 0.000 1.073 327 T CA 0.674 62.837 62.100 0.105 0.000 1.125 327 T CB 0.025 68.950 68.868 0.095 0.000 0.908 327 T HN 0.346 nan 8.240 nan 0.000 0.480 328 G N 1.256 110.037 108.800 -0.031 0.000 2.132 328 G HA2 -0.236 3.724 3.960 0.001 0.000 0.228 328 G HA3 -0.236 3.724 3.960 0.001 0.000 0.228 328 G C 0.627 175.456 174.900 -0.118 0.000 1.000 328 G CA 0.825 45.883 45.100 -0.069 0.000 0.693 328 G HN 1.246 nan 8.290 nan 0.000 0.515 329 T N -4.104 110.369 114.554 -0.135 0.000 3.144 329 T HA 0.558 4.909 4.350 0.001 0.000 0.290 329 T C 1.876 176.562 174.700 -0.023 0.000 0.966 329 T CA 1.592 63.606 62.100 -0.143 0.000 0.907 329 T CB 0.794 69.398 68.868 -0.440 0.000 1.152 329 T HN 2.111 nan 8.240 nan 0.000 0.532 330 G N 2.033 110.823 108.800 -0.016 0.000 2.541 330 G HA2 -0.086 3.875 3.960 0.001 0.000 0.201 330 G HA3 -0.086 3.875 3.960 0.001 0.000 0.201 330 G C -0.207 174.683 174.900 -0.017 0.000 1.026 330 G CA 0.044 45.134 45.100 -0.016 0.000 0.687 330 G HN 1.057 nan 8.290 nan 0.000 0.492 331 N N -0.413 118.313 118.700 0.044 0.000 2.647 331 N HA 0.721 5.462 4.740 0.001 0.000 0.266 331 N C -1.157 174.517 175.510 0.272 0.000 1.373 331 N CA -0.022 53.107 53.050 0.132 0.000 0.807 331 N CB 1.644 40.096 38.487 -0.058 0.000 1.513 331 N HN 0.116 nan 8.380 nan 0.000 0.505 332 T N 0.691 115.459 114.554 0.356 0.000 2.921 332 T HA 0.369 4.719 4.350 0.001 0.000 0.297 332 T C -0.853 174.081 174.700 0.389 0.000 1.013 332 T CA -0.483 61.840 62.100 0.371 0.000 0.990 332 T CB 1.069 70.159 68.868 0.370 0.000 1.023 332 T HN 0.511 nan 8.240 nan 0.000 0.447 333 L N 3.525 124.931 121.223 0.306 0.000 2.455 333 L HA 0.227 4.568 4.340 0.001 0.000 0.272 333 L C 0.864 177.809 176.870 0.125 0.000 1.174 333 L CA 0.207 55.163 54.840 0.192 0.000 0.869 333 L CB 0.099 42.226 42.059 0.114 0.000 1.130 333 L HN 0.674 nan 8.230 nan 0.000 0.474 334 N N 4.839 123.605 118.700 0.110 0.000 2.671 334 N HA -0.025 4.715 4.740 0.001 0.000 0.274 334 N C 0.357 175.878 175.510 0.019 0.000 1.188 334 N CA -0.568 52.529 53.050 0.079 0.000 1.065 334 N CB 0.208 38.757 38.487 0.103 0.000 1.415 334 N HN 0.550 nan 8.380 nan 0.000 0.511 335 L N 2.108 123.305 121.223 -0.043 0.000 2.713 335 L HA 0.055 4.395 4.340 0.001 0.000 0.245 335 L C 1.005 177.836 176.870 -0.066 0.000 1.169 335 L CA 0.899 55.661 54.840 -0.130 0.000 0.962 335 L CB -0.787 41.119 42.059 -0.254 0.000 1.161 335 L HN 0.475 nan 8.230 nan 0.000 0.427 336 S N -2.648 113.046 115.700 -0.009 0.000 2.524 336 S HA 0.101 4.572 4.470 0.001 0.000 0.222 336 S C 0.720 175.333 174.600 0.021 0.000 1.040 336 S CA -0.283 57.917 58.200 -0.001 0.000 0.915 336 S CB 0.331 63.527 63.200 -0.007 0.000 0.831 336 S HN 0.435 nan 8.310 nan 0.000 0.492 337 H N 2.930 121.978 119.070 -0.038 0.000 2.722 337 H HA 0.170 4.727 4.556 0.001 0.000 0.328 337 H C -2.178 173.106 175.328 -0.073 0.000 1.067 337 H CA -1.488 54.532 56.048 -0.048 0.000 1.447 337 H CB 1.425 31.153 29.762 -0.057 0.000 1.469 337 H HN -0.046 nan 8.280 nan 0.000 0.544 338 P HA -0.161 nan 4.420 nan 0.000 0.216 338 P C 1.486 178.783 177.300 -0.005 0.000 1.150 338 P CA 1.112 64.160 63.100 -0.086 0.000 0.843 338 P CB 0.430 32.025 31.700 -0.174 0.000 0.787 339 R N -0.687 119.846 120.500 0.055 0.000 2.090 339 R HA 0.006 4.346 4.340 0.001 0.000 0.228 339 R C 2.180 178.428 176.300 -0.087 0.000 1.110 339 R CA 0.790 56.742 56.100 -0.247 0.000 0.973 339 R CB -1.673 27.953 30.300 -1.122 0.000 0.869 339 R HN 0.167 nan 8.270 nan 0.000 0.440 340 V N 1.509 121.410 119.914 -0.022 0.000 2.358 340 V HA -0.175 3.946 4.120 0.001 0.000 0.246 340 V C 2.311 178.427 176.094 0.035 0.000 1.047 340 V CA 1.438 63.765 62.300 0.046 0.000 1.035 340 V CB -0.392 31.438 31.823 0.012 0.000 0.658 340 V HN 0.172 nan 8.190 nan 0.000 0.452 341 I N -0.132 120.455 120.570 0.027 0.000 2.264 341 I HA -0.324 3.846 4.170 0.001 0.000 0.248 341 I C 2.579 178.776 176.117 0.134 0.000 1.111 341 I CA 1.897 63.235 61.300 0.063 0.000 1.382 341 I CB -0.496 37.578 38.000 0.123 0.000 1.060 341 I HN 0.391 nan 8.210 nan 0.000 0.418 342 Q N 1.163 121.040 119.800 0.127 0.000 2.046 342 Q HA -0.237 4.104 4.340 0.001 0.000 0.200 342 Q C 2.414 178.574 176.000 0.267 0.000 0.975 342 Q CA 1.639 57.549 55.803 0.178 0.000 0.836 342 Q CB -0.054 28.768 28.738 0.140 0.000 0.896 342 Q HN 0.487 nan 8.270 nan 0.000 0.428 343 M N -0.121 119.669 119.600 0.316 0.000 2.065 343 M HA -0.187 4.294 4.480 0.001 0.000 0.259 343 M C 1.966 178.409 176.300 0.239 0.000 1.069 343 M CA 1.578 57.165 55.300 0.478 0.000 1.110 343 M CB -0.060 32.908 32.600 0.615 0.000 1.328 343 M HN 0.190 nan 8.290 nan 0.000 0.405 344 V N 0.992 120.920 119.914 0.023 0.000 2.332 344 V HA -0.305 3.815 4.120 0.001 0.000 0.248 344 V C 2.388 178.380 176.094 -0.170 0.000 1.055 344 V CA 1.755 63.867 62.300 -0.313 0.000 1.038 344 V CB -0.741 30.727 31.823 -0.591 0.000 0.651 344 V HN 0.537 nan 8.190 nan 0.000 0.450 345 L N -0.655 120.617 121.223 0.081 0.000 2.023 345 L HA -0.108 4.232 4.340 0.001 0.000 0.205 345 L C 2.472 179.451 176.870 0.181 0.000 1.073 345 L CA 1.435 56.368 54.840 0.155 0.000 0.745 345 L CB -0.715 41.467 42.059 0.205 0.000 0.900 345 L HN 0.310 nan 8.230 nan 0.000 0.435 346 D N -0.328 120.229 120.400 0.262 0.000 2.160 346 D HA -0.272 4.369 4.640 0.001 0.000 0.189 346 D C 2.247 178.790 176.300 0.406 0.000 1.003 346 D CA 1.919 56.141 54.000 0.371 0.000 0.846 346 D CB -0.404 40.696 40.800 0.501 0.000 0.949 346 D HN 0.133 nan 8.370 nan 0.000 0.446 347 S N -0.397 115.424 115.700 0.202 0.000 2.372 347 S HA -0.185 4.285 4.470 0.001 0.000 0.227 347 S C 2.168 176.959 174.600 0.318 0.000 1.044 347 S CA 1.096 59.216 58.200 -0.134 0.000 1.050 347 S CB -0.418 62.507 63.200 -0.458 0.000 0.901 347 S HN 0.217 nan 8.310 nan 0.000 0.447 348 L N 0.439 121.747 121.223 0.142 0.000 2.017 348 L HA -0.095 4.246 4.340 0.001 0.000 0.208 348 L C 2.948 180.013 176.870 0.325 0.000 1.073 348 L CA 1.573 56.448 54.840 0.058 0.000 0.745 348 L CB -0.475 41.505 42.059 -0.133 0.000 0.894 348 L HN 0.279 nan 8.230 nan 0.000 0.432 349 R N -1.178 119.495 120.500 0.288 0.000 2.081 349 R HA -0.223 4.117 4.340 0.001 0.000 0.235 349 R C 2.320 178.812 176.300 0.320 0.000 1.131 349 R CA 1.769 58.039 56.100 0.284 0.000 0.960 349 R CB -0.624 29.820 30.300 0.241 0.000 0.856 349 R HN 0.263 nan 8.270 nan 0.000 0.436 350 Y N 0.066 120.518 120.300 0.253 0.000 2.114 350 Y HA -0.291 4.260 4.550 0.001 0.000 0.282 350 Y C 1.612 177.596 175.900 0.139 0.000 1.165 350 Y CA 1.574 59.785 58.100 0.185 0.000 1.148 350 Y CB -0.422 38.178 38.460 0.233 0.000 0.972 350 Y HN 0.065 nan 8.280 nan 0.000 0.504 351 W N -0.982 120.425 121.300 0.177 0.000 2.595 351 W HA -0.036 4.625 4.660 0.001 0.000 0.257 351 W C 2.203 178.812 176.519 0.150 0.000 1.267 351 W CA 1.195 58.618 57.345 0.129 0.000 1.300 351 W CB -0.235 29.445 29.460 0.367 0.000 1.120 351 W HN -0.094 nan 8.180 nan 0.000 0.618 352 V N -0.256 119.883 119.914 0.376 0.000 2.283 352 V HA -0.228 3.893 4.120 0.001 0.000 0.239 352 V C 2.494 178.624 176.094 0.060 0.000 1.035 352 V CA 2.439 64.864 62.300 0.209 0.000 1.018 352 V CB -1.319 30.635 31.823 0.219 0.000 0.658 352 V HN 0.242 nan 8.190 nan 0.000 0.459 353 T N -2.124 112.463 114.554 0.056 0.000 2.985 353 T HA -0.115 4.236 4.350 0.001 0.000 0.266 353 T C 1.633 176.379 174.700 0.076 0.000 1.076 353 T CA 1.672 63.779 62.100 0.011 0.000 1.135 353 T CB 0.064 68.959 68.868 0.046 0.000 0.890 353 T HN 0.387 nan 8.240 nan 0.000 0.480 354 E N 0.212 120.399 120.200 -0.022 0.000 2.079 354 E HA 0.228 4.578 4.350 0.001 0.000 0.191 354 E C 1.970 178.538 176.600 -0.054 0.000 0.961 354 E CA 0.574 56.904 56.400 -0.117 0.000 0.823 354 E CB 0.069 29.437 29.700 -0.553 0.000 0.789 354 E HN 0.300 nan 8.360 nan 0.000 0.459 355 M N -0.475 119.042 119.600 -0.139 0.000 2.509 355 M HA 0.132 4.613 4.480 0.001 0.000 0.250 355 M C -0.197 176.235 176.300 0.221 0.000 1.132 355 M CA 0.705 56.043 55.300 0.063 0.000 1.080 355 M CB -0.439 32.132 32.600 -0.049 0.000 1.408 355 M HN 0.302 nan 8.290 nan 0.000 0.484 356 H N -0.815 118.173 119.070 -0.136 0.000 2.903 356 H HA -0.098 4.459 4.556 0.001 0.000 0.285 356 H C -0.116 175.198 175.328 -0.023 0.000 1.231 356 H CA -0.409 55.484 56.048 -0.258 0.000 1.135 356 H CB -1.711 27.582 29.762 -0.781 0.000 1.328 356 H HN 0.111 nan 8.280 nan 0.000 0.388 357 V N 1.051 121.072 119.914 0.180 0.000 3.032 357 V HA -0.117 4.004 4.120 0.001 0.000 0.307 357 V C 1.452 177.488 176.094 -0.097 0.000 1.097 357 V CA 1.305 63.641 62.300 0.061 0.000 1.191 357 V CB 0.999 32.844 31.823 0.037 0.000 0.964 357 V HN 0.419 nan 8.190 nan 0.000 0.494 358 D N 1.104 121.399 120.400 -0.175 0.000 2.449 358 D HA 0.316 4.956 4.640 0.001 0.000 0.210 358 D C 0.505 176.613 176.300 -0.320 0.000 1.094 358 D CA 1.018 54.905 54.000 -0.187 0.000 0.846 358 D CB 1.479 42.229 40.800 -0.083 0.000 1.003 358 D HN 0.761 nan 8.370 nan 0.000 0.504 359 G N 0.168 108.633 108.800 -0.558 0.000 2.368 359 G HA2 0.433 4.394 3.960 0.001 0.000 0.293 359 G HA3 0.433 4.394 3.960 0.001 0.000 0.293 359 G C -1.966 172.385 174.900 -0.915 0.000 1.467 359 G CA -0.878 43.841 45.100 -0.635 0.000 0.804 359 G HN -0.040 nan 8.290 nan 0.000 0.535 360 F N 0.160 120.003 119.950 -0.179 0.000 2.556 360 F HA 0.675 5.202 4.527 0.001 0.000 0.314 360 F C 0.367 175.983 175.800 -0.307 0.000 1.106 360 F CA -1.054 56.738 58.000 -0.347 0.000 0.911 360 F CB 2.483 41.097 39.000 -0.644 0.000 1.190 360 F HN 0.310 nan 8.300 nan 0.000 0.448 361 R N 3.541 123.946 120.500 -0.157 0.000 2.233 361 R HA 0.335 4.676 4.340 0.001 0.000 0.334 361 R C -1.613 174.556 176.300 -0.219 0.000 1.037 361 R CA -0.488 55.524 56.100 -0.146 0.000 0.920 361 R CB -0.057 30.161 30.300 -0.137 0.000 1.137 361 R HN 0.542 nan 8.270 nan 0.000 0.492 362 F N 2.498 122.379 119.950 -0.114 0.000 2.472 362 F HA 0.064 4.592 4.527 0.001 0.000 0.364 362 F C 1.049 176.761 175.800 -0.146 0.000 1.090 362 F CA -0.154 57.830 58.000 -0.027 0.000 1.188 362 F CB 0.533 39.650 39.000 0.195 0.000 1.105 362 F HN 0.467 nan 8.300 nan 0.000 0.536 363 D N 3.696 124.109 120.400 0.021 0.000 2.308 363 D HA 0.254 4.894 4.640 0.001 0.000 0.251 363 D C 0.313 176.649 176.300 0.060 0.000 1.127 363 D CA -0.128 53.857 54.000 -0.025 0.000 0.876 363 D CB 0.500 41.349 40.800 0.083 0.000 1.176 363 D HN 0.625 nan 8.370 nan 0.000 0.446 364 L N 2.191 123.400 121.223 -0.022 0.000 3.597 364 L HA -0.311 4.029 4.340 0.001 0.000 0.440 364 L C 1.444 178.388 176.870 0.124 0.000 1.277 364 L CA 0.105 54.985 54.840 0.067 0.000 0.852 364 L CB -1.705 40.448 42.059 0.156 0.000 1.708 364 L HN 0.678 nan 8.230 nan 0.000 0.885 365 A N 0.462 123.334 122.820 0.088 0.000 1.884 365 A HA -0.226 4.095 4.320 0.001 0.000 0.219 365 A C 2.345 180.109 177.584 0.300 0.000 1.197 365 A CA 2.743 54.940 52.037 0.268 0.000 0.637 365 A CB -0.378 18.749 19.000 0.211 0.000 0.827 365 A HN 0.913 nan 8.150 nan 0.000 0.450 366 A N -0.412 122.562 122.820 0.256 0.000 1.997 366 A HA 0.024 4.344 4.320 0.001 0.000 0.221 366 A C 2.403 179.994 177.584 0.011 0.000 1.172 366 A CA 2.369 54.476 52.037 0.117 0.000 0.645 366 A CB -1.031 18.045 19.000 0.128 0.000 0.813 366 A HN 1.366 nan 8.150 nan 0.000 0.454 367 A N -0.720 122.148 122.820 0.080 0.000 2.125 367 A HA 0.071 4.391 4.320 0.001 0.000 0.219 367 A C 1.915 179.493 177.584 -0.011 0.000 1.156 367 A CA 1.322 53.389 52.037 0.050 0.000 0.671 367 A CB -0.492 18.605 19.000 0.162 0.000 0.794 367 A HN 0.524 nan 8.150 nan 0.000 0.459 368 L N -1.768 119.458 121.223 0.005 0.000 2.509 368 L HA 0.119 4.460 4.340 0.001 0.000 0.222 368 L C 1.948 178.626 176.870 -0.320 0.000 1.123 368 L CA 0.620 55.421 54.840 -0.065 0.000 0.856 368 L CB -0.011 42.165 42.059 0.194 0.000 0.985 368 L HN 0.334 nan 8.230 nan 0.000 0.456 369 A N -0.283 122.291 122.820 -0.410 0.000 2.708 369 A HA 0.276 4.597 4.320 0.001 0.000 0.293 369 A C 0.332 177.688 177.584 -0.381 0.000 1.303 369 A CA -0.369 51.324 52.037 -0.573 0.000 0.949 369 A CB -0.167 18.414 19.000 -0.699 0.000 1.121 369 A HN 0.021 nan 8.150 nan 0.000 0.542 370 R N 0.506 120.810 120.500 -0.326 0.000 2.368 370 R HA 0.388 4.729 4.340 0.001 0.000 0.302 370 R C -0.130 176.018 176.300 -0.253 0.000 1.002 370 R CA -0.331 55.554 56.100 -0.357 0.000 0.929 370 R CB 1.198 31.184 30.300 -0.523 0.000 1.073 370 R HN 0.348 nan 8.270 nan 0.000 0.464 371 E N 1.492 121.563 120.200 -0.215 0.000 2.067 371 E HA 0.097 4.447 4.350 0.001 0.000 0.194 371 E C 1.160 177.704 176.600 -0.094 0.000 0.950 371 E CA 0.454 56.779 56.400 -0.126 0.000 0.872 371 E CB 0.335 29.982 29.700 -0.088 0.000 0.877 371 E HN 0.252 nan 8.360 nan 0.000 0.470 372 L N -1.829 119.349 121.223 -0.075 0.000 2.678 372 L HA 0.188 4.528 4.340 0.001 0.000 0.211 372 L C 0.812 177.548 176.870 -0.223 0.000 1.043 372 L CA 0.789 55.578 54.840 -0.084 0.000 0.881 372 L CB 0.171 42.262 42.059 0.053 0.000 1.361 372 L HN 0.172 nan 8.230 nan 0.000 0.484 373 Y N -0.758 119.579 120.300 0.062 0.000 2.729 373 Y HA 0.179 4.729 4.550 0.001 0.000 0.266 373 Y C 0.648 176.537 175.900 -0.017 0.000 1.064 373 Y CA -0.366 57.812 58.100 0.131 0.000 1.251 373 Y CB 0.883 39.431 38.460 0.146 0.000 1.379 373 Y HN 0.011 nan 8.280 nan 0.000 0.569 374 S N -0.257 115.446 115.700 0.006 0.000 2.513 374 S HA 0.717 5.187 4.470 0.001 0.000 0.299 374 S C -0.689 173.824 174.600 -0.144 0.000 1.087 374 S CA -0.746 57.432 58.200 -0.036 0.000 1.012 374 S CB 2.143 65.343 63.200 -0.001 0.000 1.044 374 S HN -0.120 nan 8.310 nan 0.000 0.485 375 V N 2.365 122.197 119.914 -0.137 0.000 2.732 375 V HA 0.462 4.582 4.120 0.001 0.000 0.297 375 V C 0.278 176.266 176.094 -0.177 0.000 1.060 375 V CA -0.474 61.715 62.300 -0.185 0.000 1.038 375 V CB 1.149 32.882 31.823 -0.150 0.000 1.003 375 V HN 1.060 nan 8.190 nan 0.000 0.481 376 N N 3.758 122.313 118.700 -0.242 0.000 2.701 376 N HA 0.174 4.914 4.740 0.001 0.000 0.258 376 N C 0.430 175.753 175.510 -0.311 0.000 1.262 376 N CA -0.663 52.251 53.050 -0.226 0.000 0.780 376 N CB 0.686 39.063 38.487 -0.183 0.000 1.380 376 N HN 0.511 nan 8.380 nan 0.000 0.548 377 M N 2.324 121.747 119.600 -0.295 0.000 2.763 377 M HA 0.005 4.486 4.480 0.001 0.000 0.244 377 M C 0.509 176.704 176.300 -0.176 0.000 1.065 377 M CA 0.744 55.855 55.300 -0.314 0.000 1.070 377 M CB -0.864 31.543 32.600 -0.321 0.000 1.494 377 M HN 0.549 nan 8.290 nan 0.000 0.546 378 L N 0.617 121.736 121.223 -0.173 0.000 3.289 378 L HA 0.200 4.541 4.340 0.001 0.000 0.291 378 L C 0.624 177.431 176.870 -0.106 0.000 1.279 378 L CA -0.215 54.567 54.840 -0.097 0.000 1.025 378 L CB -0.092 41.924 42.059 -0.072 0.000 1.413 378 L HN 0.245 nan 8.230 nan 0.000 0.593 379 N N -1.882 116.705 118.700 -0.188 0.000 2.340 379 N HA -0.059 4.681 4.740 0.001 0.000 0.236 379 N C 0.769 176.239 175.510 -0.067 0.000 1.296 379 N CA 0.698 53.654 53.050 -0.157 0.000 0.896 379 N CB 0.534 38.870 38.487 -0.252 0.000 1.127 379 N HN -0.008 nan 8.380 nan 0.000 0.442 380 T N 0.655 115.195 114.554 -0.023 0.000 2.635 380 T HA -0.209 4.142 4.350 0.001 0.000 0.267 380 T C 1.407 176.159 174.700 0.087 0.000 1.040 380 T CA 1.771 63.887 62.100 0.027 0.000 1.156 380 T CB -0.630 68.257 68.868 0.032 0.000 0.863 380 T HN 0.592 nan 8.240 nan 0.000 0.430 381 F N 0.615 120.546 119.950 -0.031 0.000 2.120 381 F HA -0.130 4.397 4.527 0.001 0.000 0.300 381 F C 1.956 177.879 175.800 0.204 0.000 1.095 381 F CA 1.423 59.450 58.000 0.044 0.000 1.249 381 F CB -0.412 38.584 39.000 -0.006 0.000 0.995 381 F HN 0.186 nan 8.300 nan 0.000 0.480 382 F N 0.343 120.099 119.950 -0.324 0.000 2.186 382 F HA -0.172 4.355 4.527 0.001 0.000 0.299 382 F C 2.224 177.874 175.800 -0.250 0.000 1.090 382 F CA 0.745 58.496 58.000 -0.415 0.000 1.307 382 F CB -0.226 38.598 39.000 -0.293 0.000 1.019 382 F HN -0.017 nan 8.300 nan 0.000 0.489 383 I N -0.087 120.508 120.570 0.043 0.000 2.252 383 I HA -0.260 3.910 4.170 0.001 0.000 0.245 383 I C 2.711 178.824 176.117 -0.007 0.000 1.102 383 I CA 1.012 62.323 61.300 0.018 0.000 1.385 383 I CB -0.695 37.317 38.000 0.021 0.000 1.064 383 I HN 0.029 nan 8.210 nan 0.000 0.414 384 A N 1.082 123.893 122.820 -0.015 0.000 1.908 384 A HA -0.206 4.114 4.320 0.001 0.000 0.218 384 A C 2.368 179.923 177.584 -0.047 0.000 1.181 384 A CA 1.398 53.429 52.037 -0.009 0.000 0.627 384 A CB -0.865 18.153 19.000 0.030 0.000 0.818 384 A HN 0.448 nan 8.150 nan 0.000 0.445 385 L N -0.449 120.681 121.223 -0.155 0.000 2.191 385 L HA -0.175 4.165 4.340 0.001 0.000 0.212 385 L C 2.237 179.060 176.870 -0.078 0.000 1.103 385 L CA 2.462 57.195 54.840 -0.179 0.000 0.769 385 L CB -0.741 41.067 42.059 -0.419 0.000 0.908 385 L HN 0.659 nan 8.230 nan 0.000 0.438 386 Q N -0.371 119.403 119.800 -0.044 0.000 2.269 386 Q HA -0.188 4.153 4.340 0.001 0.000 0.201 386 Q C 1.877 177.886 176.000 0.015 0.000 0.946 386 Q CA 1.192 57.000 55.803 0.008 0.000 0.877 386 Q CB 0.273 29.034 28.738 0.039 0.000 0.963 386 Q HN 0.749 nan 8.270 nan 0.000 0.472 387 Q N -0.261 119.544 119.800 0.009 0.000 2.408 387 Q HA 0.091 4.431 4.340 0.001 0.000 0.205 387 Q C -0.282 175.726 176.000 0.013 0.000 0.919 387 Q CA 0.330 56.141 55.803 0.014 0.000 0.932 387 Q CB -0.038 28.709 28.738 0.015 0.000 1.058 387 Q HN 0.086 nan 8.270 nan 0.000 0.517 388 D N 1.383 121.791 120.400 0.013 0.000 2.425 388 D HA 0.060 4.701 4.640 0.001 0.000 0.247 388 D C -1.642 174.670 176.300 0.020 0.000 1.147 388 D CA -1.634 52.380 54.000 0.024 0.000 0.879 388 D CB 1.189 42.009 40.800 0.033 0.000 1.179 388 D HN -0.067 nan 8.370 nan 0.000 0.456 389 P HA -0.063 nan 4.420 nan 0.000 0.216 389 P C 1.310 178.616 177.300 0.011 0.000 1.153 389 P CA 0.840 63.947 63.100 0.012 0.000 0.844 389 P CB 0.227 31.935 31.700 0.014 0.000 0.787 390 I N -1.362 119.225 120.570 0.028 0.000 2.193 390 I HA -0.178 3.992 4.170 0.001 0.000 0.240 390 I C 2.169 178.307 176.117 0.034 0.000 1.084 390 I CA 1.362 62.681 61.300 0.030 0.000 1.365 390 I CB -0.503 37.534 38.000 0.061 0.000 1.064 390 I HN -0.132 nan 8.210 nan 0.000 0.410 391 L N 0.333 121.588 121.223 0.052 0.000 2.313 391 L HA -0.077 4.263 4.340 0.001 0.000 0.214 391 L C 2.547 179.426 176.870 0.016 0.000 1.119 391 L CA 0.845 55.724 54.840 0.065 0.000 0.809 391 L CB -0.468 41.637 42.059 0.076 0.000 0.933 391 L HN 0.324 nan 8.230 nan 0.000 0.449 392 S N -1.066 114.634 115.700 0.001 0.000 2.584 392 S HA -0.143 4.327 4.470 0.001 0.000 0.240 392 S C 1.635 176.215 174.600 -0.033 0.000 0.975 392 S CA 0.720 58.910 58.200 -0.015 0.000 0.949 392 S CB -0.052 63.143 63.200 -0.008 0.000 0.761 392 S HN 0.406 nan 8.310 nan 0.000 0.536 393 Q N 0.498 120.277 119.800 -0.036 0.000 2.280 393 Q HA 0.340 4.681 4.340 0.001 0.000 0.228 393 Q C 0.647 176.599 176.000 -0.079 0.000 0.857 393 Q CA 0.258 56.025 55.803 -0.059 0.000 0.939 393 Q CB 1.078 29.780 28.738 -0.060 0.000 1.114 393 Q HN 0.684 nan 8.270 nan 0.000 0.514 394 V N -1.579 118.296 119.914 -0.066 0.000 2.966 394 V HA 0.508 4.628 4.120 0.001 0.000 0.317 394 V C 0.004 176.023 176.094 -0.125 0.000 1.070 394 V CA -1.091 61.152 62.300 -0.095 0.000 1.008 394 V CB 1.543 33.336 31.823 -0.051 0.000 1.070 394 V HN -0.104 nan 8.190 nan 0.000 0.457 395 K N 2.880 123.181 120.400 -0.165 0.000 2.339 395 K HA 0.516 4.837 4.320 0.001 0.000 0.286 395 K C -0.984 175.501 176.600 -0.192 0.000 1.050 395 K CA -0.118 56.063 56.287 -0.178 0.000 0.956 395 K CB 0.778 33.179 32.500 -0.165 0.000 0.990 395 K HN 0.578 nan 8.250 nan 0.000 0.475 396 L N 5.833 126.873 121.223 -0.306 0.000 2.305 396 L HA 0.527 4.868 4.340 0.001 0.000 0.284 396 L C -0.261 176.324 176.870 -0.475 0.000 1.013 396 L CA -0.664 53.859 54.840 -0.529 0.000 0.819 396 L CB 0.902 42.193 42.059 -1.280 0.000 1.227 396 L HN 0.501 nan 8.230 nan 0.000 0.417 397 I N 2.239 122.682 120.570 -0.212 0.000 2.785 397 I HA 0.746 4.916 4.170 0.001 0.000 0.302 397 I C -0.364 175.790 176.117 0.060 0.000 1.069 397 I CA -0.627 60.646 61.300 -0.044 0.000 1.045 397 I CB 2.448 40.460 38.000 0.020 0.000 1.236 397 I HN 0.643 nan 8.210 nan 0.000 0.429 398 A N 3.767 126.559 122.820 -0.048 0.000 2.422 398 A HA 0.472 4.793 4.320 0.001 0.000 0.302 398 A C -0.844 176.406 177.584 -0.557 0.000 1.041 398 A CA -0.536 51.365 52.037 -0.226 0.000 0.708 398 A CB 1.436 20.028 19.000 -0.680 0.000 1.257 398 A HN 0.738 nan 8.150 nan 0.000 0.414 399 E N 2.785 122.590 120.200 -0.659 0.000 2.003 399 E HA 0.240 4.591 4.350 0.001 0.000 0.279 399 E C -1.936 174.105 176.600 -0.932 0.000 1.132 399 E CA -1.857 53.979 56.400 -0.940 0.000 0.888 399 E CB 0.682 29.881 29.700 -0.834 0.000 1.056 399 E HN 0.263 nan 8.360 nan 0.000 0.399 400 P HA 0.038 nan 4.420 nan 0.000 0.258 400 P C -1.513 175.768 177.300 -0.031 0.000 1.403 400 P CA 0.214 63.085 63.100 -0.382 0.000 0.826 400 P CB -0.355 31.207 31.700 -0.230 0.000 1.414 401 W N -0.662 120.680 121.300 0.071 0.000 3.296 401 W HA 0.507 5.167 4.660 0.001 0.000 0.314 401 W C -0.970 175.615 176.519 0.109 0.000 1.238 401 W CA -1.169 56.218 57.345 0.070 0.000 1.193 401 W CB 0.455 29.942 29.460 0.046 0.000 1.383 401 W HN -0.251 nan 8.180 nan 0.000 0.545 402 D N 0.340 120.975 120.400 0.392 0.000 2.616 402 D HA 0.381 5.021 4.640 0.001 0.000 0.260 402 D C 0.815 177.304 176.300 0.314 0.000 1.158 402 D CA -0.313 53.887 54.000 0.332 0.000 1.085 402 D CB 1.427 42.372 40.800 0.242 0.000 1.222 402 D HN 0.703 nan 8.370 nan 0.000 0.626 403 V N -3.255 116.808 119.914 0.248 0.000 3.354 403 V HA 0.321 4.442 4.120 0.001 0.000 0.258 403 V C 1.211 177.414 176.094 0.182 0.000 1.159 403 V CA 0.732 63.138 62.300 0.177 0.000 1.125 403 V CB -0.685 31.205 31.823 0.112 0.000 0.774 403 V HN 0.593 nan 8.190 nan 0.000 0.464 404 G N 0.386 109.352 108.800 0.276 0.000 2.684 404 G HA2 0.248 4.208 3.960 0.001 0.000 0.255 404 G HA3 0.248 4.208 3.960 0.001 0.000 0.255 404 G C -0.261 174.799 174.900 0.267 0.000 1.219 404 G CA -0.249 45.063 45.100 0.353 0.000 0.901 404 G HN 0.590 nan 8.290 nan 0.000 0.548 405 Q N -0.411 119.546 119.800 0.262 0.000 2.293 405 Q HA 0.415 4.755 4.340 0.001 0.000 0.263 405 Q C 1.020 177.119 176.000 0.164 0.000 1.002 405 Q CA 0.636 56.545 55.803 0.177 0.000 0.910 405 Q CB 0.225 29.053 28.738 0.150 0.000 1.185 405 Q HN 1.327 nan 8.270 nan 0.000 0.401 406 G N 2.876 111.755 108.800 0.132 0.000 2.132 406 G HA2 -0.229 3.732 3.960 0.001 0.000 0.234 406 G HA3 -0.229 3.732 3.960 0.001 0.000 0.234 406 G C 0.310 175.288 174.900 0.131 0.000 0.989 406 G CA -0.071 45.098 45.100 0.114 0.000 0.676 406 G HN 0.884 nan 8.290 nan 0.000 0.522 407 G N -0.495 108.413 108.800 0.180 0.000 3.814 407 G HA2 0.431 4.392 3.960 0.001 0.000 0.293 407 G HA3 0.431 4.392 3.960 0.001 0.000 0.293 407 G C -0.117 174.964 174.900 0.303 0.000 1.243 407 G CA -0.326 44.888 45.100 0.191 0.000 1.053 407 G HN 0.563 nan 8.290 nan 0.000 0.562 408 Y N 1.123 121.525 120.300 0.170 0.000 2.593 408 Y HA 0.392 4.942 4.550 0.001 0.000 0.331 408 Y C 0.650 176.680 175.900 0.215 0.000 0.986 408 Y CA -0.756 57.485 58.100 0.235 0.000 1.262 408 Y CB 1.424 39.977 38.460 0.154 0.000 1.098 408 Y HN 0.095 nan 8.280 nan 0.000 0.506 409 Q N 4.078 123.908 119.800 0.051 0.000 2.172 409 Q HA 0.205 4.546 4.340 0.001 0.000 0.217 409 Q C -0.226 175.843 176.000 0.115 0.000 0.832 409 Q CA -0.131 55.725 55.803 0.088 0.000 1.010 409 Q CB 0.464 29.255 28.738 0.088 0.000 1.133 409 Q HN 0.461 nan 8.270 nan 0.000 0.489 410 V N 0.974 120.862 119.914 -0.044 0.000 2.506 410 V HA 0.117 4.237 4.120 0.001 0.000 0.296 410 V C 1.412 177.546 176.094 0.066 0.000 1.004 410 V CA 1.599 63.915 62.300 0.026 0.000 1.150 410 V CB -0.062 31.748 31.823 -0.021 0.000 0.911 410 V HN 0.716 nan 8.190 nan 0.000 0.476 411 G N 4.197 113.079 108.800 0.136 0.000 2.159 411 G HA2 -0.248 3.712 3.960 0.001 0.000 0.227 411 G HA3 -0.248 3.712 3.960 0.001 0.000 0.227 411 G C 0.383 175.363 174.900 0.133 0.000 0.986 411 G CA 0.326 45.478 45.100 0.086 0.000 0.651 411 G HN 0.702 nan 8.290 nan 0.000 0.523 412 N N -0.901 117.889 118.700 0.149 0.000 2.171 412 N HA 0.307 5.047 4.740 0.001 0.000 0.212 412 N C -0.324 175.105 175.510 -0.134 0.000 1.184 412 N CA -0.386 52.658 53.050 -0.011 0.000 0.888 412 N CB 0.499 38.942 38.487 -0.072 0.000 1.038 412 N HN 0.256 nan 8.380 nan 0.000 0.517 413 F N 2.880 122.736 119.950 -0.157 0.000 2.396 413 F HA 0.295 4.822 4.527 0.001 0.000 0.343 413 F C -1.619 173.972 175.800 -0.349 0.000 1.104 413 F CA -2.313 55.471 58.000 -0.360 0.000 1.161 413 F CB 0.501 39.213 39.000 -0.480 0.000 1.146 413 F HN -0.090 nan 8.300 nan 0.000 0.522 414 P HA -0.116 nan 4.420 nan 0.000 0.267 414 P C -0.782 176.483 177.300 -0.058 0.000 1.201 414 P CA 0.086 63.015 63.100 -0.285 0.000 0.775 414 P CB 0.179 31.773 31.700 -0.177 0.000 0.854 415 Y N 0.067 120.457 120.300 0.150 0.000 2.914 415 Y HA -0.133 4.418 4.550 0.001 0.000 0.348 415 Y C 2.326 178.353 175.900 0.211 0.000 1.278 415 Y CA 0.761 58.961 58.100 0.167 0.000 1.491 415 Y CB -0.275 38.249 38.460 0.108 0.000 1.334 415 Y HN 0.582 nan 8.280 nan 0.000 0.650 416 Q N -1.425 118.558 119.800 0.305 0.000 2.347 416 Q HA -0.233 4.107 4.340 0.001 0.000 0.159 416 Q C -1.250 174.777 176.000 0.045 0.000 0.568 416 Q CA 0.964 56.849 55.803 0.138 0.000 1.340 416 Q CB -1.081 27.714 28.738 0.094 0.000 1.236 416 Q HN 0.781 nan 8.270 nan 0.000 0.988 417 W N 1.125 122.423 121.300 -0.005 0.000 2.361 417 W HA 0.679 5.339 4.660 0.001 0.000 0.309 417 W C 0.353 176.844 176.519 -0.047 0.000 1.122 417 W CA 0.369 57.680 57.345 -0.057 0.000 1.208 417 W CB 1.065 30.475 29.460 -0.083 0.000 1.246 417 W HN 0.262 nan 8.180 nan 0.000 0.490 418 A N 3.812 126.682 122.820 0.084 0.000 2.301 418 A HA 0.586 4.906 4.320 0.001 0.000 0.298 418 A C -0.265 177.358 177.584 0.065 0.000 1.185 418 A CA -0.664 51.401 52.037 0.046 0.000 0.830 418 A CB 0.340 19.352 19.000 0.021 0.000 1.112 418 A HN 0.659 nan 8.150 nan 0.000 0.508 419 E N 1.733 121.961 120.200 0.047 0.000 2.195 419 E HA 0.325 4.676 4.350 0.001 0.000 0.271 419 E C -1.458 175.272 176.600 0.217 0.000 0.923 419 E CA -0.829 55.599 56.400 0.046 0.000 0.790 419 E CB 0.929 30.648 29.700 0.031 0.000 1.155 419 E HN 0.607 nan 8.360 nan 0.000 0.402 420 W N 2.378 123.598 121.300 -0.134 0.000 2.417 420 W HA 0.018 4.679 4.660 0.001 0.000 0.332 420 W C 0.527 177.179 176.519 0.221 0.000 1.413 420 W CA -0.141 57.177 57.345 -0.046 0.000 1.299 420 W CB -0.243 29.077 29.460 -0.233 0.000 1.304 420 W HN 0.480 nan 8.180 nan 0.000 0.565 421 N N 2.485 121.514 118.700 0.547 0.000 2.439 421 N HA 0.149 4.889 4.740 0.001 0.000 0.243 421 N C 1.051 176.927 175.510 0.611 0.000 1.088 421 N CA 0.304 53.690 53.050 0.561 0.000 0.940 421 N CB 0.874 39.634 38.487 0.455 0.000 1.180 421 N HN 0.538 nan 8.380 nan 0.000 0.505 422 G N 2.928 112.144 108.800 0.693 0.000 2.603 422 G HA2 -0.111 3.850 3.960 0.001 0.000 0.214 422 G HA3 -0.111 3.850 3.960 0.001 0.000 0.214 422 G C 1.420 176.504 174.900 0.307 0.000 1.140 422 G CA 0.155 45.597 45.100 0.569 0.000 0.800 422 G HN 0.422 nan 8.290 nan 0.000 0.533 423 K N 0.485 121.078 120.400 0.321 0.000 2.020 423 K HA -0.196 4.125 4.320 0.001 0.000 0.212 423 K C 2.000 178.683 176.600 0.140 0.000 1.050 423 K CA 1.269 57.671 56.287 0.193 0.000 0.929 423 K CB -0.850 31.764 32.500 0.190 0.000 0.714 423 K HN 0.455 nan 8.250 nan 0.000 0.443 424 Y N 2.049 122.402 120.300 0.089 0.000 2.097 424 Y HA -0.285 4.266 4.550 0.001 0.000 0.282 424 Y C 2.871 178.747 175.900 -0.040 0.000 1.152 424 Y CA 2.184 60.308 58.100 0.039 0.000 1.136 424 Y CB -0.133 38.378 38.460 0.085 0.000 0.975 424 Y HN 0.051 nan 8.280 nan 0.000 0.498 425 R N 0.179 120.743 120.500 0.106 0.000 2.073 425 R HA -0.184 4.157 4.340 0.001 0.000 0.234 425 R C 1.731 177.995 176.300 -0.060 0.000 1.134 425 R CA 2.182 58.222 56.100 -0.099 0.000 0.952 425 R CB -0.452 29.561 30.300 -0.477 0.000 0.850 425 R HN 0.360 nan 8.270 nan 0.000 0.433 426 D N 0.017 120.391 120.400 -0.044 0.000 2.078 426 D HA -0.099 4.542 4.640 0.001 0.000 0.193 426 D C 2.040 178.189 176.300 -0.253 0.000 0.990 426 D CA 1.659 55.582 54.000 -0.128 0.000 0.827 426 D CB -0.432 40.295 40.800 -0.121 0.000 0.975 426 D HN 0.136 nan 8.370 nan 0.000 0.451 427 S N 0.637 116.214 115.700 -0.205 0.000 2.398 427 S HA -0.162 4.309 4.470 0.001 0.000 0.220 427 S C 2.053 176.567 174.600 -0.143 0.000 1.038 427 S CA 0.734 58.809 58.200 -0.209 0.000 1.080 427 S CB -0.379 62.695 63.200 -0.209 0.000 1.039 427 S HN 0.191 nan 8.310 nan 0.000 0.419 428 I N 1.509 121.964 120.570 -0.192 0.000 2.236 428 I HA -0.204 3.966 4.170 0.001 0.000 0.249 428 I C 2.444 178.745 176.117 0.307 0.000 1.102 428 I CA 1.515 62.782 61.300 -0.056 0.000 1.365 428 I CB -1.112 36.763 38.000 -0.208 0.000 1.051 428 I HN 0.242 nan 8.210 nan 0.000 0.420 429 R N 0.161 120.806 120.500 0.241 0.000 2.115 429 R HA -0.083 4.258 4.340 0.001 0.000 0.230 429 R C 2.335 178.832 176.300 0.328 0.000 1.111 429 R CA 1.036 57.376 56.100 0.401 0.000 0.976 429 R CB -0.035 30.402 30.300 0.229 0.000 0.870 429 R HN 0.294 nan 8.270 nan 0.000 0.445 430 R N -1.330 119.227 120.500 0.094 0.000 2.200 430 R HA -0.012 4.329 4.340 0.001 0.000 0.208 430 R C 1.671 177.984 176.300 0.021 0.000 1.033 430 R CA 0.610 56.719 56.100 0.016 0.000 1.000 430 R CB -0.094 30.086 30.300 -0.200 0.000 0.906 430 R HN 0.169 nan 8.270 nan 0.000 0.462 431 F N -0.181 119.691 119.950 -0.129 0.000 2.060 431 F HA -0.148 4.380 4.527 0.001 0.000 0.295 431 F C 1.386 177.026 175.800 -0.267 0.000 1.120 431 F CA 1.386 59.216 58.000 -0.283 0.000 1.205 431 F CB -0.274 38.449 39.000 -0.461 0.000 0.986 431 F HN -0.061 nan 8.300 nan 0.000 0.470 432 W N 0.721 121.973 121.300 -0.080 0.000 2.388 432 W HA -0.050 4.610 4.660 0.001 0.000 0.294 432 W C 2.738 179.158 176.519 -0.164 0.000 1.212 432 W CA 1.212 58.413 57.345 -0.242 0.000 1.271 432 W CB -0.569 28.703 29.460 -0.314 0.000 1.126 432 W HN -0.084 nan 8.180 nan 0.000 0.535 433 R N 0.173 120.796 120.500 0.205 0.000 2.165 433 R HA -0.217 4.124 4.340 0.001 0.000 0.254 433 R C 1.732 177.949 176.300 -0.138 0.000 1.153 433 R CA 2.274 58.450 56.100 0.126 0.000 0.971 433 R CB -0.653 29.740 30.300 0.155 0.000 0.878 433 R HN 0.391 nan 8.270 nan 0.000 0.449 434 G N -1.307 107.369 108.800 -0.207 0.000 3.211 434 G HA2 -0.158 3.803 3.960 0.001 0.000 0.202 434 G HA3 -0.158 3.803 3.960 0.001 0.000 0.202 434 G C -0.639 174.101 174.900 -0.267 0.000 1.035 434 G CA -0.149 44.776 45.100 -0.292 0.000 0.846 434 G HN 0.379 nan 8.290 nan 0.000 0.464 435 E N 0.884 120.968 120.200 -0.193 0.000 2.641 435 E HA 0.304 4.654 4.350 0.001 0.000 0.272 435 E C 0.377 176.865 176.600 -0.186 0.000 0.990 435 E CA 0.781 57.090 56.400 -0.153 0.000 0.971 435 E CB 0.686 30.325 29.700 -0.102 0.000 0.967 435 E HN 0.727 nan 8.360 nan 0.000 0.464 436 A N 4.041 126.774 122.820 -0.144 0.000 2.273 436 A HA 0.417 4.737 4.320 0.001 0.000 0.320 436 A C -0.720 176.804 177.584 -0.100 0.000 1.358 436 A CA -0.596 51.364 52.037 -0.129 0.000 0.910 436 A CB 0.179 19.108 19.000 -0.118 0.000 1.159 436 A HN 0.321 nan 8.150 nan 0.000 0.526 437 L N 3.859 125.030 121.223 -0.087 0.000 2.352 437 L HA 0.521 4.862 4.340 0.001 0.000 0.269 437 L C -1.949 174.830 176.870 -0.152 0.000 1.034 437 L CA -1.886 52.884 54.840 -0.117 0.000 0.806 437 L CB 0.884 42.864 42.059 -0.131 0.000 1.244 437 L HN 0.442 nan 8.230 nan 0.000 0.447 438 P HA -0.146 nan 4.420 nan 0.000 0.262 438 P C 0.331 177.450 177.300 -0.302 0.000 1.182 438 P CA 0.166 63.142 63.100 -0.205 0.000 0.761 438 P CB 0.280 31.851 31.700 -0.216 0.000 0.795 439 Y N 3.360 123.408 120.300 -0.420 0.000 2.219 439 Y HA -0.300 4.251 4.550 0.001 0.000 0.283 439 Y C 2.385 177.700 175.900 -0.975 0.000 1.191 439 Y CA 2.324 60.093 58.100 -0.553 0.000 1.199 439 Y CB -0.754 37.440 38.460 -0.444 0.000 0.972 439 Y HN 0.332 nan 8.280 nan 0.000 0.527 440 S N -0.482 114.612 115.700 -1.011 0.000 2.348 440 S HA -0.182 4.289 4.470 0.001 0.000 0.221 440 S C 1.833 176.061 174.600 -0.620 0.000 1.033 440 S CA 1.225 58.667 58.200 -1.264 0.000 1.010 440 S CB -0.320 62.301 63.200 -0.964 0.000 0.891 440 S HN 0.421 nan 8.310 nan 0.000 0.442 441 E N 0.535 120.476 120.200 -0.432 0.000 2.401 441 E HA -0.026 4.324 4.350 0.001 0.000 0.199 441 E C 1.455 177.869 176.600 -0.309 0.000 1.023 441 E CA 0.606 56.832 56.400 -0.290 0.000 0.859 441 E CB -0.047 29.514 29.700 -0.231 0.000 0.780 441 E HN 0.547 nan 8.360 nan 0.000 0.523 442 I N -1.311 119.011 120.570 -0.413 0.000 3.812 442 I HA 0.033 4.204 4.170 0.001 0.000 0.292 442 I C 2.244 178.118 176.117 -0.405 0.000 1.206 442 I CA 0.555 61.570 61.300 -0.475 0.000 1.370 442 I CB -0.207 37.380 38.000 -0.689 0.000 1.328 442 I HN -0.095 nan 8.210 nan 0.000 0.453 443 A N 1.442 124.008 122.820 -0.424 0.000 1.892 443 A HA -0.264 4.056 4.320 0.001 0.000 0.218 443 A C 1.939 179.463 177.584 -0.100 0.000 1.188 443 A CA 2.533 54.387 52.037 -0.305 0.000 0.631 443 A CB -0.928 17.597 19.000 -0.792 0.000 0.822 443 A HN 0.416 nan 8.150 nan 0.000 0.447 444 N N -0.575 118.052 118.700 -0.122 0.000 2.025 444 N HA -0.161 4.580 4.740 0.001 0.000 0.194 444 N C 1.920 177.467 175.510 0.062 0.000 1.044 444 N CA 1.642 54.698 53.050 0.011 0.000 0.851 444 N CB -0.242 38.234 38.487 -0.018 0.000 1.036 444 N HN 0.318 nan 8.380 nan 0.000 0.422 445 R N 0.593 121.092 120.500 -0.002 0.000 2.113 445 R HA -0.133 4.208 4.340 0.001 0.000 0.244 445 R C 2.121 178.532 176.300 0.184 0.000 1.142 445 R CA 1.016 57.163 56.100 0.078 0.000 0.953 445 R CB -1.295 28.909 30.300 -0.160 0.000 0.860 445 R HN 0.382 nan 8.270 nan 0.000 0.438 446 L N 0.315 121.562 121.223 0.039 0.000 2.353 446 L HA -0.127 4.214 4.340 0.001 0.000 0.220 446 L C 1.057 178.037 176.870 0.184 0.000 1.133 446 L CA 0.571 55.450 54.840 0.065 0.000 0.798 446 L CB -0.093 41.848 42.059 -0.197 0.000 0.922 446 L HN 0.054 nan 8.230 nan 0.000 0.445 447 L N -0.886 120.480 121.223 0.238 0.000 3.066 447 L HA 0.329 4.669 4.340 0.001 0.000 0.265 447 L C 1.114 178.258 176.870 0.456 0.000 1.232 447 L CA 0.407 55.455 54.840 0.346 0.000 1.031 447 L CB 0.394 42.664 42.059 0.353 0.000 1.379 447 L HN 0.172 nan 8.230 nan 0.000 0.563 448 G N -1.069 107.984 108.800 0.421 0.000 2.132 448 G HA2 -0.282 3.679 3.960 0.001 0.000 0.234 448 G HA3 -0.282 3.679 3.960 0.001 0.000 0.234 448 G C 0.589 175.809 174.900 0.534 0.000 0.989 448 G CA 0.074 45.465 45.100 0.484 0.000 0.676 448 G HN 0.220 nan 8.290 nan 0.000 0.522 449 S N -1.202 114.717 115.700 0.365 0.000 3.608 449 S HA -0.170 4.301 4.470 0.001 0.000 0.382 449 S C -0.482 174.219 174.600 0.168 0.000 0.945 449 S CA 0.896 59.256 58.200 0.268 0.000 1.256 449 S CB -0.817 62.600 63.200 0.362 0.000 0.913 449 S HN 0.568 nan 8.310 nan 0.000 0.518 450 P HA -0.162 nan 4.420 nan 0.000 0.216 450 P C 1.548 178.732 177.300 -0.194 0.000 1.150 450 P CA 1.709 64.450 63.100 -0.598 0.000 0.837 450 P CB -0.071 31.200 31.700 -0.715 0.000 0.786 451 D N -0.551 119.797 120.400 -0.088 0.000 2.149 451 D HA -0.178 4.463 4.640 0.001 0.000 0.198 451 D C 1.808 178.076 176.300 -0.052 0.000 0.990 451 D CA 1.295 55.269 54.000 -0.044 0.000 0.839 451 D CB -1.220 39.570 40.800 -0.016 0.000 0.948 451 D HN 0.119 nan 8.370 nan 0.000 0.460 452 I N -0.903 119.609 120.570 -0.096 0.000 2.286 452 I HA -0.174 3.997 4.170 0.001 0.000 0.245 452 I C 1.692 177.631 176.117 -0.297 0.000 1.104 452 I CA 1.195 62.322 61.300 -0.288 0.000 1.397 452 I CB -0.658 36.985 38.000 -0.596 0.000 1.072 452 I HN 0.056 nan 8.210 nan 0.000 0.417 453 Y N -1.450 118.922 120.300 0.120 0.000 2.526 453 Y HA 0.113 4.663 4.550 0.001 0.000 0.265 453 Y C 1.927 177.930 175.900 0.171 0.000 1.092 453 Y CA -0.297 57.905 58.100 0.169 0.000 1.277 453 Y CB 0.163 38.771 38.460 0.246 0.000 1.228 453 Y HN -0.083 nan 8.280 nan 0.000 0.507 454 L N 0.306 121.676 121.223 0.245 0.000 2.376 454 L HA 0.101 4.442 4.340 0.001 0.000 0.219 454 L C 2.007 178.958 176.870 0.134 0.000 1.133 454 L CA 1.570 56.521 54.840 0.185 0.000 0.816 454 L CB -0.819 41.248 42.059 0.015 0.000 0.933 454 L HN 0.182 nan 8.230 nan 0.000 0.449 455 G N -1.061 107.801 108.800 0.103 0.000 2.848 455 G HA2 -0.201 3.760 3.960 0.001 0.000 0.208 455 G HA3 -0.201 3.760 3.960 0.001 0.000 0.208 455 G C 1.020 175.981 174.900 0.103 0.000 1.152 455 G CA 0.444 45.592 45.100 0.079 0.000 0.789 455 G HN 0.486 nan 8.290 nan 0.000 0.531 456 N N -0.318 118.473 118.700 0.152 0.000 2.240 456 N HA 0.081 4.821 4.740 0.001 0.000 0.240 456 N C 0.389 176.058 175.510 0.266 0.000 1.277 456 N CA -0.241 52.903 53.050 0.158 0.000 0.873 456 N CB 0.172 38.724 38.487 0.109 0.000 1.222 456 N HN 0.042 nan 8.380 nan 0.000 0.507 457 N N -0.526 118.333 118.700 0.265 0.000 2.850 457 N HA -0.176 4.564 4.740 0.001 0.000 0.249 457 N C -0.991 174.705 175.510 0.310 0.000 1.060 457 N CA 0.934 54.154 53.050 0.283 0.000 0.825 457 N CB -0.641 38.045 38.487 0.332 0.000 1.132 457 N HN 0.281 nan 8.380 nan 0.000 0.564 458 K N 0.172 120.761 120.400 0.316 0.000 2.098 458 K HA 0.603 4.924 4.320 0.001 0.000 0.244 458 K C 1.104 177.827 176.600 0.206 0.000 1.014 458 K CA -0.077 56.375 56.287 0.276 0.000 0.917 458 K CB 0.693 33.361 32.500 0.280 0.000 1.072 458 K HN 0.274 nan 8.250 nan 0.000 0.477 459 T N -3.118 111.457 114.554 0.035 0.000 2.841 459 T HA 0.332 4.682 4.350 0.001 0.000 0.276 459 T C -1.932 172.507 174.700 -0.435 0.000 1.003 459 T CA -1.683 60.230 62.100 -0.312 0.000 0.995 459 T CB 1.465 70.008 68.868 -0.542 0.000 1.260 459 T HN 0.194 nan 8.240 nan 0.000 0.581 460 P HA -0.037 nan 4.420 nan 0.000 0.222 460 P C 1.268 178.428 177.300 -0.232 0.000 1.147 460 P CA 0.844 63.657 63.100 -0.478 0.000 0.790 460 P CB -0.285 31.077 31.700 -0.563 0.000 0.780 461 F N 2.049 121.921 119.950 -0.130 0.000 2.032 461 F HA -0.225 4.303 4.527 0.001 0.000 0.297 461 F C 2.733 178.454 175.800 -0.131 0.000 1.125 461 F CA 1.164 59.109 58.000 -0.092 0.000 1.202 461 F CB -2.229 36.725 39.000 -0.076 0.000 0.958 461 F HN -0.020 nan 8.300 nan 0.000 0.491 462 A N -0.945 121.868 122.820 -0.011 0.000 2.032 462 A HA -0.175 4.146 4.320 0.001 0.000 0.221 462 A C 1.625 178.971 177.584 -0.397 0.000 1.165 462 A CA 1.417 53.340 52.037 -0.190 0.000 0.645 462 A CB -0.962 17.869 19.000 -0.281 0.000 0.807 462 A HN 0.274 nan 8.150 nan 0.000 0.453 463 S N 0.995 116.456 115.700 -0.398 0.000 2.405 463 S HA 0.413 4.883 4.470 0.001 0.000 0.291 463 S C -0.128 174.455 174.600 -0.029 0.000 1.137 463 S CA -0.621 57.462 58.200 -0.197 0.000 1.061 463 S CB -0.457 62.766 63.200 0.039 0.000 1.001 463 S HN 0.212 nan 8.310 nan 0.000 0.507 464 I N 5.947 126.528 120.570 0.019 0.000 2.294 464 I HA 0.224 4.395 4.170 0.001 0.000 0.295 464 I C 0.112 176.203 176.117 -0.045 0.000 1.098 464 I CA -0.450 60.834 61.300 -0.027 0.000 1.277 464 I CB -0.448 37.536 38.000 -0.028 0.000 1.434 464 I HN 0.530 nan 8.210 nan 0.000 0.498 465 N N 7.747 126.341 118.700 -0.176 0.000 2.514 465 N HA 0.443 5.184 4.740 0.001 0.000 0.277 465 N C -0.650 174.765 175.510 -0.157 0.000 1.126 465 N CA -0.092 52.691 53.050 -0.445 0.000 0.978 465 N CB 1.282 39.154 38.487 -1.024 0.000 1.106 465 N HN 0.462 nan 8.380 nan 0.000 0.461 466 Y N -2.662 117.453 120.300 -0.309 0.000 2.558 466 Y HA 0.377 4.927 4.550 0.001 0.000 0.333 466 Y C 0.259 176.192 175.900 0.054 0.000 1.125 466 Y CA -1.255 56.748 58.100 -0.162 0.000 1.039 466 Y CB 0.047 38.300 38.460 -0.345 0.000 1.331 466 Y HN 0.123 nan 8.280 nan 0.000 0.456 467 V N -1.097 118.819 119.914 0.003 0.000 2.672 467 V HA 0.250 4.370 4.120 0.001 0.000 0.242 467 V C 0.583 176.600 176.094 -0.129 0.000 1.059 467 V CA 1.502 63.740 62.300 -0.104 0.000 1.081 467 V CB -0.271 31.459 31.823 -0.155 0.000 0.752 467 V HN 1.000 nan 8.190 nan 0.000 0.472 468 T N -1.548 113.004 114.554 -0.004 0.000 2.841 468 T HA 0.752 5.102 4.350 0.001 0.000 0.276 468 T C -0.135 174.661 174.700 0.160 0.000 1.003 468 T CA 0.011 62.148 62.100 0.061 0.000 0.995 468 T CB 1.659 70.555 68.868 0.045 0.000 1.260 468 T HN 0.968 nan 8.240 nan 0.000 0.581 469 S N -1.307 114.465 115.700 0.120 0.000 2.712 469 S HA 0.137 4.608 4.470 0.001 0.000 0.279 469 S C 0.617 175.253 174.600 0.060 0.000 1.025 469 S CA -0.022 58.218 58.200 0.066 0.000 0.861 469 S CB 0.057 63.288 63.200 0.053 0.000 1.091 469 S HN 1.206 nan 8.310 nan 0.000 0.457 470 H N 1.110 120.216 119.070 0.059 0.000 2.426 470 H HA -0.035 4.521 4.556 0.001 0.000 0.298 470 H C -0.075 175.240 175.328 -0.022 0.000 1.107 470 H CA 1.306 57.321 56.048 -0.055 0.000 1.298 470 H CB -0.480 29.041 29.762 -0.403 0.000 1.377 470 H HN 0.455 nan 8.280 nan 0.000 0.519 471 D N 1.724 121.739 120.400 -0.642 0.000 2.338 471 D HA 0.348 4.988 4.640 0.001 0.000 0.255 471 D C 0.987 177.336 176.300 0.082 0.000 1.237 471 D CA 1.525 55.445 54.000 -0.133 0.000 0.883 471 D CB 0.819 41.508 40.800 -0.185 0.000 1.087 471 D HN 0.773 nan 8.370 nan 0.000 0.485 472 G N 2.242 111.147 108.800 0.175 0.000 2.416 472 G HA2 -0.192 3.769 3.960 0.001 0.000 0.203 472 G HA3 -0.192 3.769 3.960 0.001 0.000 0.203 472 G C -0.214 174.776 174.900 0.150 0.000 1.227 472 G CA -0.910 44.224 45.100 0.056 0.000 1.041 472 G HN 0.401 nan 8.290 nan 0.000 0.546 473 F N 1.686 121.700 119.950 0.107 0.000 2.435 473 F HA 0.495 5.023 4.527 0.001 0.000 0.316 473 F C 1.886 177.739 175.800 0.088 0.000 1.220 473 F CA 0.133 58.185 58.000 0.088 0.000 1.241 473 F CB 1.102 40.148 39.000 0.077 0.000 1.234 473 F HN 0.763 nan 8.300 nan 0.000 0.569 474 T N -0.534 114.198 114.554 0.297 0.000 2.824 474 T HA 0.152 4.503 4.350 0.001 0.000 0.277 474 T C 0.700 175.457 174.700 0.096 0.000 0.975 474 T CA -0.836 61.356 62.100 0.153 0.000 0.966 474 T CB 1.105 70.027 68.868 0.091 0.000 1.054 474 T HN 0.528 nan 8.240 nan 0.000 0.533 475 L N 0.317 121.571 121.223 0.051 0.000 2.093 475 L HA 0.108 4.449 4.340 0.001 0.000 0.208 475 L C 2.593 179.463 176.870 -0.001 0.000 1.085 475 L CA 2.019 56.868 54.840 0.014 0.000 0.755 475 L CB -1.142 40.957 42.059 0.066 0.000 0.904 475 L HN 0.938 nan 8.230 nan 0.000 0.435 476 E N -0.161 120.033 120.200 -0.009 0.000 2.031 476 E HA -0.226 4.124 4.350 0.001 0.000 0.193 476 E C 1.614 178.170 176.600 -0.074 0.000 0.994 476 E CA 1.834 58.200 56.400 -0.055 0.000 0.800 476 E CB -0.164 29.510 29.700 -0.044 0.000 0.752 476 E HN 0.513 nan 8.360 nan 0.000 0.447 477 D N -0.518 119.845 120.400 -0.061 0.000 2.363 477 D HA -0.055 4.586 4.640 0.001 0.000 0.220 477 D C 1.499 177.544 176.300 -0.425 0.000 0.994 477 D CA 0.164 54.077 54.000 -0.146 0.000 0.890 477 D CB 0.024 40.661 40.800 -0.270 0.000 0.906 477 D HN 0.182 nan 8.370 nan 0.000 0.530 478 L N 0.545 121.689 121.223 -0.131 0.000 2.313 478 L HA -0.032 4.309 4.340 0.001 0.000 0.214 478 L C 1.478 178.405 176.870 0.094 0.000 1.119 478 L CA 0.961 55.840 54.840 0.065 0.000 0.809 478 L CB 0.151 42.261 42.059 0.085 0.000 0.933 478 L HN 0.016 nan 8.230 nan 0.000 0.449 479 V N -5.002 114.912 119.914 -0.001 0.000 3.121 479 V HA 0.400 4.520 4.120 0.001 0.000 0.344 479 V C 0.928 176.875 176.094 -0.245 0.000 1.390 479 V CA 0.477 62.741 62.300 -0.059 0.000 1.177 479 V CB -0.145 31.650 31.823 -0.047 0.000 1.163 479 V HN 0.270 nan 8.190 nan 0.000 0.484 480 S N -0.541 114.992 115.700 -0.280 0.000 2.847 480 S HA 0.550 5.020 4.470 0.001 0.000 0.254 480 S C -0.758 173.299 174.600 -0.904 0.000 1.039 480 S CA -0.146 57.731 58.200 -0.539 0.000 1.113 480 S CB 0.325 63.229 63.200 -0.493 0.000 1.092 480 S HN 0.714 nan 8.310 nan 0.000 0.620 481 Y N -0.016 120.136 120.300 -0.247 0.000 2.604 481 Y HA 0.394 4.944 4.550 0.001 0.000 0.331 481 Y C 0.426 176.380 175.900 0.091 0.000 1.158 481 Y CA -1.105 56.923 58.100 -0.121 0.000 1.056 481 Y CB 1.023 39.312 38.460 -0.286 0.000 1.330 481 Y HN -0.132 nan 8.280 nan 0.000 0.457 482 N N -0.147 118.776 118.700 0.370 0.000 2.460 482 N HA 0.081 4.821 4.740 0.001 0.000 0.193 482 N C -0.460 175.267 175.510 0.363 0.000 1.080 482 N CA 0.351 53.616 53.050 0.358 0.000 0.869 482 N CB 0.742 39.396 38.487 0.278 0.000 1.201 482 N HN 0.563 nan 8.380 nan 0.000 0.457 483 Q N 1.121 121.154 119.800 0.389 0.000 2.416 483 Q HA 0.346 4.686 4.340 0.001 0.000 0.279 483 Q C -0.660 175.532 176.000 0.321 0.000 1.101 483 Q CA -0.690 55.259 55.803 0.243 0.000 0.830 483 Q CB 1.880 30.657 28.738 0.066 0.000 1.402 483 Q HN 0.058 nan 8.270 nan 0.000 0.445 484 K N -0.223 120.242 120.400 0.109 0.000 2.234 484 K HA 0.431 4.751 4.320 0.001 0.000 0.282 484 K C -0.758 175.820 176.600 -0.038 0.000 1.039 484 K CA -0.152 56.209 56.287 0.124 0.000 0.928 484 K CB 0.363 32.839 32.500 -0.040 0.000 1.039 484 K HN 0.408 nan 8.250 nan 0.000 0.470 485 H N 1.731 120.810 119.070 0.016 0.000 2.410 485 H HA 0.263 4.819 4.556 0.001 0.000 0.232 485 H C -0.865 174.459 175.328 -0.007 0.000 1.535 485 H CA -0.783 55.261 56.048 -0.006 0.000 1.310 485 H CB -0.029 29.708 29.762 -0.041 0.000 1.518 485 H HN 0.588 nan 8.280 nan 0.000 0.545 486 N N 1.652 120.397 118.700 0.076 0.000 2.920 486 N HA 0.021 4.762 4.740 0.001 0.000 0.310 486 N C 0.337 175.889 175.510 0.069 0.000 1.384 486 N CA -0.040 53.053 53.050 0.071 0.000 1.083 486 N CB 0.716 39.249 38.487 0.077 0.000 1.389 486 N HN 0.531 nan 8.380 nan 0.000 0.521 487 E N 0.549 120.781 120.200 0.054 0.000 2.371 487 E HA 0.100 4.451 4.350 0.001 0.000 0.194 487 E C 1.605 178.212 176.600 0.011 0.000 1.012 487 E CA 0.291 56.713 56.400 0.037 0.000 0.860 487 E CB 0.164 29.884 29.700 0.033 0.000 0.811 487 E HN 0.437 nan 8.360 nan 0.000 0.502 488 A N 0.705 123.524 122.820 -0.001 0.000 2.206 488 A HA -0.039 4.281 4.320 0.001 0.000 0.211 488 A C 1.229 178.777 177.584 -0.061 0.000 1.158 488 A CA 0.605 52.616 52.037 -0.044 0.000 0.761 488 A CB -0.180 18.782 19.000 -0.064 0.000 0.801 488 A HN 0.099 nan 8.150 nan 0.000 0.473 489 N N -0.233 118.467 118.700 -0.000 0.000 2.446 489 N HA 0.170 4.911 4.740 0.001 0.000 0.179 489 N C 1.189 176.651 175.510 -0.081 0.000 1.054 489 N CA 1.135 54.216 53.050 0.053 0.000 0.905 489 N CB -0.023 38.642 38.487 0.298 0.000 0.973 489 N HN 0.573 nan 8.380 nan 0.000 0.448 490 G N -0.370 108.360 108.800 -0.117 0.000 2.147 490 G HA2 -0.272 3.688 3.960 0.001 0.000 0.244 490 G HA3 -0.272 3.688 3.960 0.001 0.000 0.244 490 G C -0.091 174.537 174.900 -0.453 0.000 1.005 490 G CA -0.144 44.790 45.100 -0.277 0.000 0.713 490 G HN 0.365 nan 8.290 nan 0.000 0.515 491 F N 0.395 120.355 119.950 0.016 0.000 2.963 491 F HA 0.416 4.943 4.527 0.001 0.000 0.321 491 F C 1.241 177.038 175.800 -0.005 0.000 1.234 491 F CA -0.770 57.237 58.000 0.011 0.000 1.296 491 F CB 0.213 39.232 39.000 0.032 0.000 0.981 491 F HN 0.148 nan 8.300 nan 0.000 0.507 492 N N 2.817 121.565 118.700 0.080 0.000 2.701 492 N HA -0.358 4.383 4.740 0.001 0.000 0.252 492 N C 0.403 175.949 175.510 0.060 0.000 1.002 492 N CA 1.271 54.350 53.050 0.049 0.000 0.758 492 N CB -1.094 37.411 38.487 0.031 0.000 0.937 492 N HN 0.797 nan 8.380 nan 0.000 0.538 493 N N -1.154 117.597 118.700 0.086 0.000 2.721 493 N HA -0.243 4.498 4.740 0.001 0.000 0.249 493 N C -0.368 175.166 175.510 0.040 0.000 1.072 493 N CA 0.510 53.594 53.050 0.058 0.000 0.710 493 N CB -0.238 38.256 38.487 0.012 0.000 0.993 493 N HN 0.403 nan 8.380 nan 0.000 0.547 494 Q N 0.567 120.408 119.800 0.069 0.000 2.189 494 Q HA 0.078 4.419 4.340 0.001 0.000 0.221 494 Q C -0.582 175.406 176.000 -0.020 0.000 0.848 494 Q CA 0.346 56.163 55.803 0.022 0.000 1.007 494 Q CB 0.359 29.116 28.738 0.032 0.000 1.116 494 Q HN 0.576 nan 8.270 nan 0.000 0.481 495 D N -2.016 118.374 120.400 -0.017 0.000 2.547 495 D HA 0.590 5.231 4.640 0.001 0.000 0.231 495 D C 0.042 176.316 176.300 -0.044 0.000 1.099 495 D CA -0.627 53.326 54.000 -0.079 0.000 0.901 495 D CB 2.260 42.963 40.800 -0.162 0.000 1.478 495 D HN 0.049 nan 8.370 nan 0.000 0.471 496 G N 0.556 109.319 108.800 -0.062 0.000 2.697 496 G HA2 -0.000 3.960 3.960 0.001 0.000 0.686 496 G HA3 -0.000 3.960 3.960 0.001 0.000 0.686 496 G C -0.212 174.638 174.900 -0.083 0.000 1.179 496 G CA -0.863 44.207 45.100 -0.050 0.000 0.765 496 G HN 0.410 nan 8.290 nan 0.000 0.649 497 M N 1.899 121.439 119.600 -0.099 0.000 2.248 497 M HA 0.048 4.529 4.480 0.001 0.000 0.343 497 M C 1.548 177.753 176.300 -0.158 0.000 1.243 497 M CA 0.131 55.353 55.300 -0.129 0.000 1.025 497 M CB 0.058 32.573 32.600 -0.142 0.000 1.759 497 M HN 0.674 nan 8.290 nan 0.000 0.452 498 N N 1.421 120.034 118.700 -0.145 0.000 2.182 498 N HA -0.063 4.677 4.740 0.001 0.000 0.186 498 N C 0.038 175.441 175.510 -0.177 0.000 1.036 498 N CA 0.659 53.627 53.050 -0.137 0.000 0.850 498 N CB -0.009 38.414 38.487 -0.107 0.000 1.010 498 N HN 0.530 nan 8.380 nan 0.000 0.432 499 E N 1.849 121.905 120.200 -0.240 0.000 2.238 499 E HA 0.047 4.397 4.350 0.001 0.000 0.264 499 E C -0.535 175.802 176.600 -0.438 0.000 1.136 499 E CA 0.226 56.381 56.400 -0.408 0.000 0.929 499 E CB -0.225 29.125 29.700 -0.583 0.000 1.010 499 E HN 0.108 nan 8.360 nan 0.000 0.440 500 N N 2.957 121.470 118.700 -0.312 0.000 2.203 500 N HA 0.070 4.811 4.740 0.001 0.000 0.207 500 N C -0.741 174.793 175.510 0.039 0.000 1.130 500 N CA -0.157 52.777 53.050 -0.193 0.000 0.861 500 N CB -0.107 38.222 38.487 -0.264 0.000 1.005 500 N HN 0.484 nan 8.380 nan 0.000 0.507 501 Y N 0.156 120.511 120.300 0.091 0.000 2.968 501 Y HA -0.339 4.211 4.550 0.001 0.000 0.215 501 Y C 0.529 176.562 175.900 0.222 0.000 1.150 501 Y CA 0.186 58.363 58.100 0.128 0.000 1.044 501 Y CB -2.103 36.413 38.460 0.095 0.000 1.216 501 Y HN 0.111 nan 8.280 nan 0.000 0.537 502 S N -1.467 114.461 115.700 0.379 0.000 0.000 502 S HA 0.795 5.265 4.470 0.001 0.000 0.000 502 S C -0.990 173.902 174.600 0.486 0.000 0.000 502 S CA -0.692 57.781 58.200 0.454 0.000 0.000 502 S CB 2.860 66.403 63.200 0.570 0.000 0.000 502 S HN 0.436 nan 8.310 nan 0.000 0.000 503 W N 0.339 121.765 121.300 0.211 0.000 3.363 503 W HA 0.473 5.134 4.660 0.001 0.000 0.306 503 W C -0.169 176.393 176.519 0.071 0.000 1.253 503 W CA -0.890 56.535 57.345 0.133 0.000 1.195 503 W CB 1.253 30.780 29.460 0.112 0.000 1.366 503 W HN 0.786 nan 8.180 nan 0.000 0.551 504 N N 2.109 120.557 118.700 -0.420 0.000 2.463 504 N HA 0.003 4.743 4.740 0.001 0.000 0.181 504 N C 0.733 175.718 175.510 -0.875 0.000 1.078 504 N CA 1.279 54.024 53.050 -0.509 0.000 0.902 504 N CB 0.017 38.345 38.487 -0.265 0.000 0.970 504 N HN 0.462 nan 8.380 nan 0.000 0.451 505 c N -0.058 117.423 118.600 -1.864 0.000 4.356 505 c HA -0.100 4.470 4.570 0.001 0.000 0.296 505 c C 1.012 174.663 174.090 -0.732 0.000 1.424 505 c CA 0.377 55.684 56.329 -1.703 0.000 2.000 505 c CB -2.478 39.478 42.510 -0.924 0.000 1.262 505 c HN 0.777 nan 8.230 nan 0.000 0.789 506 G N -1.796 106.736 108.800 -0.447 0.000 2.356 506 G HA2 0.440 4.401 3.960 0.001 0.000 0.233 506 G HA3 0.440 4.401 3.960 0.001 0.000 0.233 506 G C -0.173 174.667 174.900 -0.099 0.000 1.105 506 G CA 0.532 45.599 45.100 -0.054 0.000 0.861 506 G HN 2.502 nan 8.290 nan 0.000 0.493 507 A N -1.135 121.606 122.820 -0.132 0.000 3.287 507 A HA 0.929 5.249 4.320 0.001 0.000 0.299 507 A C -0.916 176.600 177.584 -0.114 0.000 1.086 507 A CA 0.411 52.378 52.037 -0.117 0.000 0.586 507 A CB 0.699 19.598 19.000 -0.169 0.000 1.539 507 A HN 1.391 nan 8.150 nan 0.000 0.694 508 E N -1.338 118.781 120.200 -0.136 0.000 2.304 508 E HA 0.521 4.871 4.350 0.001 0.000 0.277 508 E C -0.142 176.267 176.600 -0.318 0.000 0.898 508 E CA 0.805 57.086 56.400 -0.198 0.000 0.764 508 E CB 1.788 31.505 29.700 0.029 0.000 1.216 508 E HN 2.494 nan 8.360 nan 0.000 0.419 509 G N 3.300 111.685 108.800 -0.690 0.000 2.698 509 G HA2 -0.174 3.786 3.960 0.001 0.000 0.225 509 G HA3 -0.174 3.786 3.960 0.001 0.000 0.225 509 G C -2.402 172.252 174.900 -0.410 0.000 1.345 509 G CA -0.657 44.102 45.100 -0.568 0.000 0.871 509 G HN 0.528 nan 8.290 nan 0.000 0.540 510 P HA 0.455 nan 4.420 nan 0.000 0.270 510 P C 0.230 177.431 177.300 -0.165 0.000 1.227 510 P CA 0.443 63.430 63.100 -0.188 0.000 0.788 510 P CB 0.663 32.292 31.700 -0.118 0.000 0.926 511 T N 0.484 114.953 114.554 -0.142 0.000 2.792 511 T HA 0.305 4.656 4.350 0.001 0.000 0.303 511 T C 0.379 175.022 174.700 -0.095 0.000 1.310 511 T CA -0.597 61.429 62.100 -0.123 0.000 1.007 511 T CB 1.329 70.108 68.868 -0.148 0.000 1.335 511 T HN 0.266 nan 8.240 nan 0.000 0.504 512 N N 0.211 118.864 118.700 -0.079 0.000 2.317 512 N HA 0.021 4.761 4.740 0.001 0.000 0.199 512 N C -0.111 175.361 175.510 -0.063 0.000 1.145 512 N CA -0.023 52.988 53.050 -0.064 0.000 0.882 512 N CB 0.415 38.873 38.487 -0.049 0.000 1.113 512 N HN 0.630 nan 8.380 nan 0.000 0.486 513 D N 2.633 122.993 120.400 -0.068 0.000 2.383 513 D HA -0.069 4.571 4.640 0.001 0.000 0.275 513 D C 1.062 177.321 176.300 -0.068 0.000 1.344 513 D CA 0.251 54.214 54.000 -0.062 0.000 0.984 513 D CB 0.870 41.632 40.800 -0.064 0.000 1.104 513 D HN -0.027 nan 8.370 nan 0.000 0.524 514 Q N 3.284 123.051 119.800 -0.055 0.000 2.112 514 Q HA -0.230 4.110 4.340 0.001 0.000 0.206 514 Q C 2.126 178.090 176.000 -0.061 0.000 0.987 514 Q CA 1.991 57.761 55.803 -0.056 0.000 0.858 514 Q CB -1.202 27.512 28.738 -0.041 0.000 0.905 514 Q HN 0.802 nan 8.270 nan 0.000 0.420 515 N N 0.409 119.079 118.700 -0.051 0.000 2.258 515 N HA -0.117 4.624 4.740 0.001 0.000 0.187 515 N C 1.971 177.437 175.510 -0.073 0.000 1.012 515 N CA 2.126 55.148 53.050 -0.047 0.000 0.870 515 N CB -0.905 37.564 38.487 -0.030 0.000 0.977 515 N HN 0.317 nan 8.380 nan 0.000 0.434 516 V N 0.336 120.191 119.914 -0.098 0.000 2.256 516 V HA 0.291 4.411 4.120 0.001 0.000 0.240 516 V C 3.120 179.110 176.094 -0.173 0.000 1.036 516 V CA 2.474 64.683 62.300 -0.152 0.000 1.008 516 V CB -1.262 30.463 31.823 -0.164 0.000 0.648 516 V HN 0.635 nan 8.190 nan 0.000 0.453 517 V N 0.047 119.870 119.914 -0.152 0.000 2.277 517 V HA -0.375 3.746 4.120 0.001 0.000 0.253 517 V C 2.548 178.553 176.094 -0.149 0.000 1.067 517 V CA 3.339 65.547 62.300 -0.152 0.000 1.047 517 V CB -0.785 30.966 31.823 -0.119 0.000 0.649 517 V HN 0.626 nan 8.190 nan 0.000 0.447 518 I N -0.661 119.839 120.570 -0.116 0.000 2.163 518 I HA -0.316 3.855 4.170 0.001 0.000 0.243 518 I C 2.746 178.792 176.117 -0.117 0.000 1.085 518 I CA 1.876 63.116 61.300 -0.099 0.000 1.347 518 I CB -0.565 37.398 38.000 -0.062 0.000 1.044 518 I HN 0.690 nan 8.210 nan 0.000 0.408 519 c N 1.828 120.353 118.600 -0.125 0.000 2.388 519 c HA -0.224 4.346 4.570 0.001 0.000 0.277 519 c C 3.076 177.049 174.090 -0.195 0.000 1.210 519 c CA 1.387 57.632 56.329 -0.140 0.000 1.743 519 c CB -1.061 41.340 42.510 -0.183 0.000 2.047 519 c HN 0.398 nan 8.230 nan 0.000 0.458 520 R N 0.232 120.586 120.500 -0.243 0.000 2.096 520 R HA -0.137 4.204 4.340 0.001 0.000 0.240 520 R C 2.236 178.378 176.300 -0.263 0.000 1.139 520 R CA 1.895 57.843 56.100 -0.253 0.000 0.952 520 R CB -0.495 29.648 30.300 -0.261 0.000 0.854 520 R HN 0.611 nan 8.270 nan 0.000 0.436 521 E N 0.784 120.826 120.200 -0.263 0.000 2.110 521 E HA -0.143 4.207 4.350 0.001 0.000 0.193 521 E C 1.809 178.209 176.600 -0.332 0.000 0.988 521 E CA 0.919 57.125 56.400 -0.324 0.000 0.804 521 E CB -0.044 29.512 29.700 -0.240 0.000 0.745 521 E HN 0.271 nan 8.360 nan 0.000 0.458 522 K N 0.514 120.767 120.400 -0.247 0.000 1.969 522 K HA -0.159 4.161 4.320 0.001 0.000 0.216 522 K C 2.099 178.501 176.600 -0.330 0.000 1.048 522 K CA 1.116 57.257 56.287 -0.242 0.000 0.948 522 K CB -0.112 32.301 32.500 -0.145 0.000 0.726 522 K HN 0.055 nan 8.250 nan 0.000 0.442 523 Q N 1.039 120.652 119.800 -0.311 0.000 2.062 523 Q HA -0.221 4.119 4.340 0.001 0.000 0.209 523 Q C 2.003 177.760 176.000 -0.405 0.000 0.996 523 Q CA 1.660 57.201 55.803 -0.437 0.000 0.859 523 Q CB -0.478 28.107 28.738 -0.256 0.000 0.920 523 Q HN 0.295 nan 8.270 nan 0.000 0.415 524 K N 0.122 120.385 120.400 -0.228 0.000 2.189 524 K HA -0.198 4.123 4.320 0.001 0.000 0.207 524 K C 2.156 178.710 176.600 -0.077 0.000 1.046 524 K CA 1.619 57.813 56.287 -0.156 0.000 0.928 524 K CB -0.091 32.055 32.500 -0.590 0.000 0.720 524 K HN 0.155 nan 8.250 nan 0.000 0.458 525 R N -0.377 119.964 120.500 -0.266 0.000 2.189 525 R HA 0.091 4.431 4.340 0.001 0.000 0.203 525 R C 1.822 178.012 176.300 -0.183 0.000 1.012 525 R CA 0.304 56.264 56.100 -0.234 0.000 1.015 525 R CB -0.001 29.905 30.300 -0.656 0.000 0.938 525 R HN 0.191 nan 8.270 nan 0.000 0.472 526 N N 0.979 119.372 118.700 -0.510 0.000 2.058 526 N HA -0.139 4.602 4.740 0.001 0.000 0.191 526 N C 1.656 176.706 175.510 -0.766 0.000 1.037 526 N CA 1.457 53.916 53.050 -0.985 0.000 0.848 526 N CB -0.347 36.909 38.487 -2.051 0.000 1.021 526 N HN 0.124 nan 8.380 nan 0.000 0.422 527 F N 0.740 120.372 119.950 -0.530 0.000 2.091 527 F HA -0.211 4.317 4.527 0.001 0.000 0.299 527 F C 2.522 178.366 175.800 0.074 0.000 1.103 527 F CA 0.901 58.818 58.000 -0.138 0.000 1.228 527 F CB -0.162 38.814 39.000 -0.041 0.000 0.984 527 F HN 0.018 nan 8.300 nan 0.000 0.477 528 M N 0.341 120.133 119.600 0.320 0.000 2.200 528 M HA -0.100 4.381 4.480 0.001 0.000 0.265 528 M C 1.942 178.414 176.300 0.287 0.000 1.066 528 M CA 1.555 57.067 55.300 0.353 0.000 1.127 528 M CB -0.616 32.303 32.600 0.532 0.000 1.379 528 M HN 0.094 nan 8.290 nan 0.000 0.420 529 I N -1.050 119.689 120.570 0.283 0.000 2.179 529 I HA -0.326 3.845 4.170 0.001 0.000 0.242 529 I C 1.898 178.156 176.117 0.236 0.000 1.088 529 I CA 1.533 62.963 61.300 0.218 0.000 1.357 529 I CB -0.933 37.188 38.000 0.201 0.000 1.051 529 I HN 0.288 nan 8.210 nan 0.000 0.409 530 T N 1.554 116.297 114.554 0.315 0.000 2.545 530 T HA -0.248 4.102 4.350 0.001 0.000 0.261 530 T C 1.893 176.800 174.700 0.344 0.000 1.097 530 T CA 1.625 63.964 62.100 0.399 0.000 1.189 530 T CB -0.685 68.519 68.868 0.560 0.000 0.863 530 T HN 0.185 nan 8.240 nan 0.000 0.405 531 L N 0.730 122.164 121.223 0.352 0.000 2.064 531 L HA -0.065 4.275 4.340 0.001 0.000 0.216 531 L C 1.771 178.686 176.870 0.074 0.000 1.077 531 L CA 1.738 56.733 54.840 0.258 0.000 0.766 531 L CB -0.621 41.553 42.059 0.192 0.000 0.890 531 L HN 0.314 nan 8.230 nan 0.000 0.435 532 L N -1.318 119.935 121.223 0.051 0.000 2.688 532 L HA 0.084 4.424 4.340 0.001 0.000 0.234 532 L C 1.128 177.995 176.870 -0.005 0.000 1.192 532 L CA -0.065 54.724 54.840 -0.085 0.000 0.984 532 L CB 0.278 42.323 42.059 -0.023 0.000 1.232 532 L HN 0.176 nan 8.230 nan 0.000 0.465 533 V N -2.384 117.578 119.914 0.079 0.000 3.400 533 V HA 0.175 4.296 4.120 0.001 0.000 0.281 533 V C 0.767 177.081 176.094 0.365 0.000 1.617 533 V CA 0.087 62.422 62.300 0.057 0.000 1.044 533 V CB 1.223 33.120 31.823 0.124 0.000 0.858 533 V HN 0.292 nan 8.190 nan 0.000 0.425 534 S N 2.389 118.291 115.700 0.337 0.000 2.548 534 S HA 0.403 4.873 4.470 0.001 0.000 0.277 534 S C -0.155 174.678 174.600 0.389 0.000 1.315 534 S CA -0.352 58.075 58.200 0.380 0.000 1.050 534 S CB 1.011 64.474 63.200 0.438 0.000 0.918 534 S HN 0.466 nan 8.310 nan 0.000 0.497 535 Q N 1.182 121.230 119.800 0.412 0.000 2.428 535 Q HA 0.409 4.749 4.340 0.001 0.000 0.276 535 Q C 0.973 177.129 176.000 0.260 0.000 1.059 535 Q CA 0.965 56.992 55.803 0.373 0.000 0.923 535 Q CB 0.024 28.996 28.738 0.389 0.000 1.283 535 Q HN 1.099 nan 8.270 nan 0.000 0.447 536 G N 0.674 109.593 108.800 0.199 0.000 2.466 536 G HA2 -0.159 3.802 3.960 0.001 0.000 0.316 536 G HA3 -0.159 3.802 3.960 0.001 0.000 0.316 536 G C -1.071 173.918 174.900 0.150 0.000 1.270 536 G CA -0.502 44.671 45.100 0.123 0.000 0.982 536 G HN 0.552 nan 8.290 nan 0.000 0.506 537 T N 3.830 118.429 114.554 0.076 0.000 2.770 537 T HA 0.648 4.999 4.350 0.001 0.000 0.297 537 T C -2.457 172.206 174.700 -0.062 0.000 0.997 537 T CA -0.675 61.462 62.100 0.061 0.000 0.949 537 T CB 2.078 70.990 68.868 0.074 0.000 0.941 537 T HN 0.571 nan 8.240 nan 0.000 0.457 538 P HA 0.346 nan 4.420 nan 0.000 0.285 538 P C -0.881 176.344 177.300 -0.124 0.000 1.259 538 P CA -0.738 62.250 63.100 -0.188 0.000 0.794 538 P CB 0.965 32.460 31.700 -0.342 0.000 0.940 539 M N 4.248 123.779 119.600 -0.115 0.000 2.190 539 M HA 0.372 4.852 4.480 0.001 0.000 0.312 539 M C -1.197 175.069 176.300 -0.057 0.000 0.990 539 M CA -0.984 54.252 55.300 -0.106 0.000 0.927 539 M CB 0.917 33.375 32.600 -0.237 0.000 1.571 539 M HN 0.069 nan 8.290 nan 0.000 0.427 540 I N 5.527 126.086 120.570 -0.018 0.000 2.365 540 I HA 0.254 4.424 4.170 0.001 0.000 0.291 540 I C -0.147 175.912 176.117 -0.096 0.000 1.004 540 I CA -0.648 60.655 61.300 0.004 0.000 1.311 540 I CB 1.058 39.124 38.000 0.109 0.000 1.401 540 I HN 0.804 nan 8.210 nan 0.000 0.491 541 L N 5.195 126.377 121.223 -0.069 0.000 2.361 541 L HA 0.271 4.611 4.340 0.001 0.000 0.278 541 L C 0.959 177.713 176.870 -0.193 0.000 1.113 541 L CA -0.248 54.531 54.840 -0.101 0.000 0.849 541 L CB 0.769 42.826 42.059 -0.003 0.000 1.155 541 L HN 0.834 nan 8.230 nan 0.000 0.452 542 G N 3.090 111.668 108.800 -0.371 0.000 2.272 542 G HA2 0.334 4.295 3.960 0.001 0.000 0.274 542 G HA3 0.334 4.295 3.960 0.001 0.000 0.274 542 G C 0.867 175.775 174.900 0.012 0.000 1.136 542 G CA 0.620 45.462 45.100 -0.430 0.000 1.098 542 G HN 1.142 nan 8.290 nan 0.000 0.425 543 G N 2.531 111.374 108.800 0.071 0.000 2.480 543 G HA2 -0.213 3.747 3.960 0.001 0.000 0.193 543 G HA3 -0.213 3.747 3.960 0.001 0.000 0.193 543 G C 0.852 175.735 174.900 -0.029 0.000 1.004 543 G CA 0.447 45.431 45.100 -0.194 0.000 0.696 543 G HN 0.530 nan 8.290 nan 0.000 0.478 544 D N 1.381 121.815 120.400 0.056 0.000 2.309 544 D HA 0.054 4.694 4.640 0.001 0.000 0.212 544 D C 2.117 178.577 176.300 0.267 0.000 0.968 544 D CA 1.438 55.526 54.000 0.146 0.000 0.882 544 D CB -0.007 40.882 40.800 0.148 0.000 0.918 544 D HN 0.697 nan 8.370 nan 0.000 0.503 545 E N -0.446 119.888 120.200 0.224 0.000 2.482 545 E HA -0.029 4.321 4.350 0.001 0.000 0.196 545 E C 1.048 177.791 176.600 0.238 0.000 1.047 545 E CA 0.357 56.866 56.400 0.182 0.000 0.869 545 E CB -0.019 29.812 29.700 0.218 0.000 0.836 545 E HN 0.147 nan 8.360 nan 0.000 0.520 546 L N -0.057 121.282 121.223 0.193 0.000 2.766 546 L HA 0.263 4.604 4.340 0.001 0.000 0.242 546 L C -0.046 176.881 176.870 0.096 0.000 1.136 546 L CA -0.058 54.851 54.840 0.115 0.000 0.933 546 L CB -0.248 41.772 42.059 -0.065 0.000 1.241 546 L HN -0.078 nan 8.230 nan 0.000 0.522 547 S N 0.030 115.826 115.700 0.160 0.000 3.749 547 S HA -0.254 4.217 4.470 0.001 0.000 0.348 547 S C 0.785 175.380 174.600 -0.007 0.000 1.045 547 S CA 0.493 58.744 58.200 0.086 0.000 1.051 547 S CB -1.578 61.654 63.200 0.055 0.000 0.898 547 S HN 0.573 nan 8.310 nan 0.000 0.472 548 R N 1.047 121.513 120.500 -0.057 0.000 2.585 548 R HA 0.223 4.564 4.340 0.001 0.000 0.275 548 R C -0.273 175.993 176.300 -0.056 0.000 1.018 548 R CA 0.796 56.819 56.100 -0.127 0.000 1.072 548 R CB 0.299 30.436 30.300 -0.272 0.000 0.953 548 R HN 0.281 nan 8.270 nan 0.000 0.419 549 T N 4.264 118.792 114.554 -0.043 0.000 2.841 549 T HA 0.196 4.547 4.350 0.001 0.000 0.283 549 T C -0.175 174.529 174.700 0.007 0.000 1.000 549 T CA -0.619 61.477 62.100 -0.005 0.000 0.977 549 T CB 1.800 70.667 68.868 -0.001 0.000 0.979 549 T HN 0.606 nan 8.240 nan 0.000 0.446 550 Q N 1.308 121.124 119.800 0.027 0.000 2.206 550 Q HA 0.263 4.603 4.340 0.001 0.000 0.265 550 Q C -0.004 175.982 176.000 -0.024 0.000 0.866 550 Q CA -0.353 55.465 55.803 0.024 0.000 1.073 550 Q CB 0.329 29.124 28.738 0.095 0.000 1.165 550 Q HN 0.559 nan 8.270 nan 0.000 0.465 551 R N -0.421 120.064 120.500 -0.025 0.000 3.516 551 R HA -0.256 4.084 4.340 0.001 0.000 0.271 551 R C 0.783 176.900 176.300 -0.306 0.000 1.098 551 R CA 0.399 56.474 56.100 -0.040 0.000 0.732 551 R CB -2.368 27.913 30.300 -0.032 0.000 1.152 551 R HN 0.692 nan 8.270 nan 0.000 0.455 552 G N -0.403 108.008 108.800 -0.648 0.000 2.168 552 G HA2 -0.393 3.567 3.960 0.001 0.000 0.263 552 G HA3 -0.393 3.567 3.960 0.001 0.000 0.263 552 G C 0.023 174.835 174.900 -0.146 0.000 0.977 552 G CA 0.228 44.624 45.100 -1.173 0.000 0.659 552 G HN 0.482 nan 8.290 nan 0.000 0.533 553 N N 1.142 119.824 118.700 -0.031 0.000 2.416 553 N HA 0.082 4.823 4.740 0.001 0.000 0.271 553 N C 1.275 176.910 175.510 0.208 0.000 1.245 553 N CA 0.729 53.836 53.050 0.095 0.000 0.940 553 N CB -0.356 38.161 38.487 0.050 0.000 1.175 553 N HN 0.800 nan 8.380 nan 0.000 0.483 554 N N 1.597 120.411 118.700 0.191 0.000 2.276 554 N HA 0.007 4.747 4.740 0.001 0.000 0.212 554 N C -0.154 175.452 175.510 0.159 0.000 1.127 554 N CA -0.266 52.857 53.050 0.121 0.000 0.834 554 N CB 0.209 38.473 38.487 -0.372 0.000 1.014 554 N HN 0.314 nan 8.380 nan 0.000 0.491 555 N N 0.475 119.287 118.700 0.187 0.000 2.620 555 N HA 0.084 4.825 4.740 0.001 0.000 0.277 555 N C -0.893 174.645 175.510 0.047 0.000 1.726 555 N CA -0.151 53.016 53.050 0.195 0.000 0.840 555 N CB 0.953 39.525 38.487 0.142 0.000 1.379 555 N HN 0.263 nan 8.380 nan 0.000 0.506 556 A N 1.138 123.990 122.820 0.054 0.000 2.916 556 A HA 0.127 4.447 4.320 0.001 0.000 0.254 556 A C 0.977 178.253 177.584 -0.513 0.000 1.544 556 A CA -0.471 51.507 52.037 -0.098 0.000 1.224 556 A CB -1.430 17.635 19.000 0.109 0.000 1.012 556 A HN 0.579 nan 8.150 nan 0.000 0.636 557 F N -1.280 118.019 119.950 -1.085 0.000 2.456 557 F HA -0.044 4.484 4.527 0.001 0.000 0.298 557 F C 1.531 177.033 175.800 -0.497 0.000 1.104 557 F CA 0.783 57.780 58.000 -1.672 0.000 1.435 557 F CB -0.789 37.447 39.000 -1.272 0.000 1.078 557 F HN 0.339 nan 8.300 nan 0.000 0.546 558 C N -1.056 117.560 119.300 -1.139 0.000 3.000 558 C HA 0.417 4.877 4.460 0.001 0.000 0.286 558 C C 0.673 175.447 174.990 -0.361 0.000 1.343 558 C CA -0.530 58.062 59.018 -0.710 0.000 1.742 558 C CB -1.622 25.552 27.740 -0.944 0.000 2.200 558 C HN 0.320 nan 8.230 nan 0.000 0.621 559 Q N 2.373 121.972 119.800 -0.335 0.000 2.673 559 Q HA 0.285 4.626 4.340 0.001 0.000 0.224 559 Q C -0.642 174.972 176.000 -0.644 0.000 1.226 559 Q CA 0.336 55.911 55.803 -0.379 0.000 1.019 559 Q CB -0.075 28.471 28.738 -0.320 0.000 1.312 559 Q HN 0.518 nan 8.270 nan 0.000 0.566 560 D N 2.571 122.663 120.400 -0.513 0.000 2.558 560 D HA 0.134 4.774 4.640 0.001 0.000 0.221 560 D C -0.453 175.267 176.300 -0.967 0.000 1.143 560 D CA 0.093 53.716 54.000 -0.628 0.000 1.010 560 D CB -0.218 40.622 40.800 0.067 0.000 1.068 560 D HN 0.612 nan 8.370 nan 0.000 0.511 561 N N 0.315 117.878 118.700 -1.894 0.000 3.465 561 N HA -0.000 4.740 4.740 0.001 0.000 0.332 561 N C 0.192 174.466 175.510 -2.060 0.000 1.492 561 N CA -0.561 51.405 53.050 -1.806 0.000 0.867 561 N CB 0.364 38.383 38.487 -0.780 0.000 1.899 561 N HN -0.175 nan 8.380 nan 0.000 0.502 562 E N 0.581 120.146 120.200 -1.059 0.000 2.338 562 E HA 0.155 4.505 4.350 0.001 0.000 0.197 562 E C 1.546 177.967 176.600 -0.297 0.000 1.007 562 E CA 0.705 56.796 56.400 -0.515 0.000 0.849 562 E CB -0.264 29.314 29.700 -0.203 0.000 0.774 562 E HN 0.418 nan 8.360 nan 0.000 0.506 563 I N 0.407 120.754 120.570 -0.372 0.000 2.454 563 I HA -0.232 3.938 4.170 0.001 0.000 0.254 563 I C 1.659 177.711 176.117 -0.109 0.000 1.156 563 I CA 1.672 62.848 61.300 -0.207 0.000 1.433 563 I CB -0.272 37.597 38.000 -0.217 0.000 1.082 563 I HN 0.263 nan 8.210 nan 0.000 0.432 564 T N -5.377 109.092 114.554 -0.141 0.000 3.010 564 T HA 0.040 4.391 4.350 0.001 0.000 0.253 564 T C 0.383 175.381 174.700 0.497 0.000 0.939 564 T CA -0.486 61.692 62.100 0.130 0.000 0.910 564 T CB -0.411 68.486 68.868 0.049 0.000 1.226 564 T HN 0.186 nan 8.240 nan 0.000 0.508 565 W N 1.863 123.190 121.300 0.045 0.000 2.626 565 W HA 0.082 4.743 4.660 0.001 0.000 0.331 565 W C -0.423 176.216 176.519 0.201 0.000 1.076 565 W CA -1.224 56.216 57.345 0.157 0.000 1.239 565 W CB 0.036 29.539 29.460 0.070 0.000 1.129 565 W HN 0.100 nan 8.180 nan 0.000 0.557 566 F N 2.818 122.859 119.950 0.151 0.000 2.543 566 F HA -0.021 4.507 4.527 0.001 0.000 0.375 566 F C 0.895 176.516 175.800 -0.298 0.000 1.075 566 F CA -0.017 57.873 58.000 -0.184 0.000 1.225 566 F CB -0.048 38.708 39.000 -0.407 0.000 1.099 566 F HN 0.117 nan 8.300 nan 0.000 0.561 567 D N 3.618 123.888 120.400 -0.217 0.000 2.317 567 D HA 0.084 4.725 4.640 0.001 0.000 0.234 567 D C -0.047 176.114 176.300 -0.232 0.000 1.112 567 D CA -0.238 53.683 54.000 -0.131 0.000 0.840 567 D CB 0.616 41.396 40.800 -0.034 0.000 1.078 567 D HN 0.572 nan 8.370 nan 0.000 0.486 568 W N 1.831 123.174 121.300 0.071 0.000 3.114 568 W HA 0.115 4.776 4.660 0.001 0.000 0.279 568 W C 1.196 177.727 176.519 0.019 0.000 1.277 568 W CA -0.703 56.656 57.345 0.023 0.000 1.630 568 W CB 0.206 29.644 29.460 -0.037 0.000 1.087 568 W HN 0.303 nan 8.180 nan 0.000 0.637 569 N N 2.705 121.526 118.700 0.202 0.000 2.412 569 N HA 0.003 4.743 4.740 0.001 0.000 0.279 569 N C -0.959 174.612 175.510 0.102 0.000 1.287 569 N CA 0.731 53.859 53.050 0.130 0.000 0.948 569 N CB -0.013 38.532 38.487 0.095 0.000 1.255 569 N HN 0.078 nan 8.380 nan 0.000 0.485 570 L N 3.995 125.284 121.223 0.110 0.000 2.298 570 L HA 0.306 4.647 4.340 0.001 0.000 0.284 570 L C 0.965 177.882 176.870 0.078 0.000 1.013 570 L CA -1.028 53.872 54.840 0.099 0.000 0.824 570 L CB 1.292 43.430 42.059 0.130 0.000 1.221 570 L HN 0.507 nan 8.230 nan 0.000 0.418 571 D N 2.194 122.631 120.400 0.062 0.000 2.348 571 D HA 0.037 4.677 4.640 0.001 0.000 0.272 571 D C 0.559 176.894 176.300 0.058 0.000 1.237 571 D CA -0.474 53.556 54.000 0.050 0.000 1.042 571 D CB 1.171 41.991 40.800 0.033 0.000 1.117 571 D HN 0.361 nan 8.370 nan 0.000 0.548 572 E N 0.062 120.290 120.200 0.046 0.000 2.012 572 E HA -0.213 4.138 4.350 0.001 0.000 0.197 572 E C 2.108 178.745 176.600 0.061 0.000 1.007 572 E CA 0.966 57.396 56.400 0.051 0.000 0.816 572 E CB -0.359 29.362 29.700 0.036 0.000 0.762 572 E HN 0.464 nan 8.360 nan 0.000 0.451 573 R N 1.125 121.650 120.500 0.042 0.000 2.103 573 R HA -0.190 4.151 4.340 0.001 0.000 0.234 573 R C 2.333 178.682 176.300 0.081 0.000 1.132 573 R CA 2.125 58.247 56.100 0.037 0.000 0.925 573 R CB -0.160 30.137 30.300 -0.004 0.000 0.842 573 R HN 0.036 nan 8.270 nan 0.000 0.430 574 K N 0.084 120.530 120.400 0.076 0.000 2.089 574 K HA -0.174 4.147 4.320 0.001 0.000 0.210 574 K C 2.241 178.952 176.600 0.187 0.000 1.048 574 K CA 2.132 58.490 56.287 0.119 0.000 0.926 574 K CB -0.183 32.368 32.500 0.086 0.000 0.714 574 K HN 0.411 nan 8.250 nan 0.000 0.448 575 S N 0.856 116.648 115.700 0.154 0.000 2.388 575 S HA -0.083 4.387 4.470 0.001 0.000 0.223 575 S C 1.971 176.678 174.600 0.177 0.000 1.034 575 S CA 0.686 58.984 58.200 0.164 0.000 0.963 575 S CB -0.084 63.194 63.200 0.131 0.000 0.827 575 S HN 0.191 nan 8.310 nan 0.000 0.481 576 K N -0.178 120.321 120.400 0.165 0.000 2.281 576 K HA -0.109 4.212 4.320 0.001 0.000 0.203 576 K C 1.732 178.484 176.600 0.254 0.000 1.046 576 K CA 1.204 57.594 56.287 0.172 0.000 0.938 576 K CB -0.276 32.304 32.500 0.132 0.000 0.737 576 K HN 0.439 nan 8.250 nan 0.000 0.458 577 F N 1.092 121.103 119.950 0.102 0.000 2.149 577 F HA -0.104 4.423 4.527 0.001 0.000 0.294 577 F C 1.798 177.723 175.800 0.209 0.000 1.095 577 F CA 0.546 58.624 58.000 0.130 0.000 1.276 577 F CB -0.711 38.327 39.000 0.063 0.000 1.023 577 F HN -0.037 nan 8.300 nan 0.000 0.480 578 L N 1.087 122.359 121.223 0.083 0.000 2.082 578 L HA -0.297 4.044 4.340 0.001 0.000 0.223 578 L C 2.303 179.187 176.870 0.024 0.000 1.086 578 L CA 2.199 57.062 54.840 0.037 0.000 0.793 578 L CB -1.081 41.083 42.059 0.174 0.000 0.896 578 L HN 0.176 nan 8.230 nan 0.000 0.441 579 E N -1.281 118.974 120.200 0.091 0.000 2.153 579 E HA -0.250 4.100 4.350 0.001 0.000 0.194 579 E C 2.104 178.746 176.600 0.070 0.000 0.988 579 E CA 1.440 57.893 56.400 0.089 0.000 0.811 579 E CB -0.367 29.404 29.700 0.119 0.000 0.746 579 E HN 0.640 nan 8.360 nan 0.000 0.466 580 F N 0.547 120.452 119.950 -0.074 0.000 2.128 580 F HA -0.172 4.356 4.527 0.001 0.000 0.295 580 F C 2.187 177.893 175.800 -0.156 0.000 1.100 580 F CA 0.865 58.818 58.000 -0.079 0.000 1.260 580 F CB -0.062 38.944 39.000 0.009 0.000 1.009 580 F HN -0.194 nan 8.300 nan 0.000 0.476 581 V N 0.762 120.560 119.914 -0.193 0.000 2.407 581 V HA -0.312 3.809 4.120 0.001 0.000 0.248 581 V C 2.312 178.327 176.094 -0.132 0.000 1.055 581 V CA 2.077 64.256 62.300 -0.203 0.000 1.049 581 V CB -0.804 30.873 31.823 -0.243 0.000 0.662 581 V HN 0.276 nan 8.190 nan 0.000 0.455 582 K N 0.083 120.427 120.400 -0.093 0.000 2.026 582 K HA -0.225 4.096 4.320 0.001 0.000 0.208 582 K C 2.322 178.888 176.600 -0.058 0.000 1.048 582 K CA 1.662 57.920 56.287 -0.050 0.000 0.929 582 K CB -0.191 32.301 32.500 -0.012 0.000 0.713 582 K HN 0.231 nan 8.250 nan 0.000 0.439 583 K N 0.324 120.661 120.400 -0.105 0.000 2.103 583 K HA -0.054 4.267 4.320 0.001 0.000 0.204 583 K C 1.968 178.503 176.600 -0.108 0.000 1.052 583 K CA 0.890 57.120 56.287 -0.096 0.000 0.945 583 K CB -0.018 32.406 32.500 -0.128 0.000 0.722 583 K HN -0.046 nan 8.250 nan 0.000 0.443 584 M N 0.594 120.038 119.600 -0.261 0.000 2.067 584 M HA -0.079 4.401 4.480 0.001 0.000 0.260 584 M C 1.588 177.921 176.300 0.055 0.000 1.069 584 M CA 1.569 56.760 55.300 -0.182 0.000 1.117 584 M CB -0.262 32.143 32.600 -0.325 0.000 1.334 584 M HN 0.141 nan 8.290 nan 0.000 0.407 585 I N -0.526 120.057 120.570 0.022 0.000 2.163 585 I HA -0.400 3.770 4.170 0.001 0.000 0.243 585 I C 2.318 178.521 176.117 0.143 0.000 1.085 585 I CA 1.597 62.952 61.300 0.091 0.000 1.347 585 I CB -0.720 37.306 38.000 0.044 0.000 1.044 585 I HN 0.425 nan 8.210 nan 0.000 0.408 586 Q N -0.052 119.805 119.800 0.095 0.000 2.096 586 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 586 Q C 2.207 178.293 176.000 0.144 0.000 0.982 586 Q CA 1.970 57.828 55.803 0.092 0.000 0.850 586 Q CB -0.338 28.439 28.738 0.065 0.000 0.901 586 Q HN 0.470 nan 8.270 nan 0.000 0.422 587 F N 0.557 120.541 119.950 0.056 0.000 2.046 587 F HA -0.321 4.206 4.527 0.001 0.000 0.297 587 F C 2.218 178.123 175.800 0.176 0.000 1.123 587 F CA 1.744 59.822 58.000 0.131 0.000 1.199 587 F CB -0.738 38.290 39.000 0.047 0.000 0.972 587 F HN 0.081 nan 8.300 nan 0.000 0.474 588 Y N 1.638 121.886 120.300 -0.087 0.000 2.139 588 Y HA -0.270 4.280 4.550 0.001 0.000 0.282 588 Y C 2.464 178.319 175.900 -0.074 0.000 1.179 588 Y CA 2.312 60.304 58.100 -0.179 0.000 1.161 588 Y CB -0.487 37.946 38.460 -0.045 0.000 0.970 588 Y HN 0.071 nan 8.280 nan 0.000 0.511 589 R N -0.425 120.029 120.500 -0.077 0.000 2.119 589 R HA 0.078 4.418 4.340 0.001 0.000 0.222 589 R C 2.208 178.406 176.300 -0.170 0.000 1.088 589 R CA 0.867 56.883 56.100 -0.139 0.000 0.984 589 R CB -0.459 29.840 30.300 -0.002 0.000 0.884 589 R HN 0.377 nan 8.270 nan 0.000 0.447 590 A N 0.886 123.599 122.820 -0.178 0.000 2.238 590 A HA -0.000 4.321 4.320 0.001 0.000 0.208 590 A C -0.053 177.264 177.584 -0.446 0.000 1.177 590 A CA 0.373 52.245 52.037 -0.275 0.000 0.804 590 A CB -0.005 18.831 19.000 -0.274 0.000 0.823 590 A HN 0.185 nan 8.150 nan 0.000 0.482 591 H N -1.343 117.631 119.070 -0.159 0.000 2.823 591 H HA 0.239 4.795 4.556 0.001 0.000 0.332 591 H C -2.351 172.927 175.328 -0.084 0.000 0.980 591 H CA -1.630 54.368 56.048 -0.084 0.000 1.286 591 H CB 1.897 31.583 29.762 -0.126 0.000 1.541 591 H HN 0.017 nan 8.280 nan 0.000 0.521 592 P HA -0.047 nan 4.420 nan 0.000 0.221 592 P C 1.239 178.529 177.300 -0.017 0.000 1.150 592 P CA 0.855 63.955 63.100 -0.000 0.000 0.800 592 P CB 0.311 32.020 31.700 0.015 0.000 0.787 593 A N -2.291 120.488 122.820 -0.069 0.000 2.263 593 A HA -0.022 4.298 4.320 0.001 0.000 0.205 593 A C 1.012 178.288 177.584 -0.513 0.000 1.226 593 A CA 1.010 52.911 52.037 -0.227 0.000 0.810 593 A CB -1.574 17.243 19.000 -0.305 0.000 0.784 593 A HN 0.193 nan 8.150 nan 0.000 0.486 594 F N -1.777 118.203 119.950 0.050 0.000 2.856 594 F HA 0.232 4.759 4.527 0.001 0.000 0.338 594 F C 1.034 176.888 175.800 0.090 0.000 1.005 594 F CA -0.377 57.688 58.000 0.109 0.000 1.155 594 F CB 0.608 39.647 39.000 0.066 0.000 1.010 594 F HN -0.069 nan 8.300 nan 0.000 0.587 595 R N 1.931 122.467 120.500 0.060 0.000 3.436 595 R HA 0.350 4.691 4.340 0.001 0.000 0.247 595 R C -0.385 175.972 176.300 0.095 0.000 1.434 595 R CA -0.203 55.935 56.100 0.063 0.000 1.543 595 R CB 0.314 30.555 30.300 -0.098 0.000 1.289 595 R HN -0.047 nan 8.270 nan 0.000 0.664 596 R N 0.712 121.247 120.500 0.059 0.000 2.474 596 R HA 0.094 4.434 4.340 0.001 0.000 0.295 596 R C 0.579 176.727 176.300 -0.254 0.000 0.980 596 R CA -0.449 55.599 56.100 -0.086 0.000 0.934 596 R CB 1.735 31.918 30.300 -0.194 0.000 1.101 596 R HN 0.441 nan 8.270 nan 0.000 0.469 597 E N 1.486 121.571 120.200 -0.192 0.000 2.400 597 E HA 0.002 4.352 4.350 0.001 0.000 0.195 597 E C -0.023 176.286 176.600 -0.484 0.000 1.012 597 E CA 0.370 56.552 56.400 -0.362 0.000 0.875 597 E CB 0.588 30.410 29.700 0.202 0.000 0.859 597 E HN 0.255 nan 8.360 nan 0.000 0.498 598 R N -0.591 119.683 120.500 -0.377 0.000 2.740 598 R HA 0.313 4.653 4.340 0.001 0.000 0.282 598 R C -1.227 174.847 176.300 -0.377 0.000 0.969 598 R CA -0.647 55.256 56.100 -0.329 0.000 0.918 598 R CB 1.137 31.331 30.300 -0.176 0.000 1.175 598 R HN -0.009 nan 8.270 nan 0.000 0.464 599 Y N 1.311 121.518 120.300 -0.156 0.000 2.357 599 Y HA 0.085 4.636 4.550 0.001 0.000 0.340 599 Y C 0.120 175.932 175.900 -0.146 0.000 1.260 599 Y CA 0.131 58.183 58.100 -0.080 0.000 1.425 599 Y CB 0.550 39.028 38.460 0.031 0.000 1.326 599 Y HN 0.403 nan 8.280 nan 0.000 0.580 600 F N 2.066 122.164 119.950 0.246 0.000 2.502 600 F HA 0.107 4.635 4.527 0.001 0.000 0.371 600 F C 0.425 176.304 175.800 0.131 0.000 1.083 600 F CA -0.386 57.707 58.000 0.155 0.000 1.174 600 F CB 0.170 39.260 39.000 0.150 0.000 1.096 600 F HN 0.386 nan 8.300 nan 0.000 0.545 601 Q N 1.898 121.824 119.800 0.211 0.000 2.396 601 Q HA 0.439 4.780 4.340 0.001 0.000 0.221 601 Q C 0.565 176.646 176.000 0.136 0.000 1.025 601 Q CA -0.491 55.389 55.803 0.129 0.000 0.946 601 Q CB 0.593 29.360 28.738 0.049 0.000 1.224 601 Q HN 0.819 nan 8.270 nan 0.000 0.539 602 G N 1.247 110.081 108.800 0.057 0.000 3.963 602 G HA2 0.393 4.353 3.960 0.001 0.000 0.315 602 G HA3 0.393 4.353 3.960 0.001 0.000 0.315 602 G C -0.708 174.189 174.900 -0.005 0.000 1.254 602 G CA -0.363 44.753 45.100 0.028 0.000 1.395 602 G HN 0.505 nan 8.290 nan 0.000 0.538 603 K N -0.463 119.946 120.400 0.014 0.000 2.614 603 K HA 0.513 4.834 4.320 0.001 0.000 0.293 603 K C -1.073 175.530 176.600 0.004 0.000 1.045 603 K CA -1.259 55.024 56.287 -0.008 0.000 0.880 603 K CB 1.420 33.904 32.500 -0.027 0.000 1.552 603 K HN 0.032 nan 8.250 nan 0.000 0.404 604 K N 1.266 121.661 120.400 -0.007 0.000 2.201 604 K HA 0.454 4.774 4.320 0.001 0.000 0.278 604 K C -0.694 175.878 176.600 -0.047 0.000 1.027 604 K CA -0.555 55.733 56.287 0.001 0.000 0.909 604 K CB 0.753 33.261 32.500 0.014 0.000 1.062 604 K HN 0.338 nan 8.250 nan 0.000 0.465 605 L N 2.630 123.815 121.223 -0.063 0.000 2.319 605 L HA 0.474 4.815 4.340 0.001 0.000 0.267 605 L C 0.042 176.848 176.870 -0.107 0.000 1.011 605 L CA -0.918 53.762 54.840 -0.267 0.000 0.818 605 L CB 0.626 42.373 42.059 -0.520 0.000 1.316 605 L HN 0.722 nan 8.230 nan 0.000 0.432 606 F N 0.700 120.663 119.950 0.021 0.000 3.006 606 F HA -0.252 4.275 4.527 0.001 0.000 0.289 606 F C 1.360 177.171 175.800 0.017 0.000 0.772 606 F CA 0.674 58.685 58.000 0.018 0.000 1.162 606 F CB -1.754 37.257 39.000 0.019 0.000 1.382 606 F HN 0.886 nan 8.300 nan 0.000 0.406 607 G N -0.569 108.303 108.800 0.119 0.000 2.176 607 G HA2 -0.290 3.670 3.960 0.001 0.000 0.252 607 G HA3 -0.290 3.670 3.960 0.001 0.000 0.252 607 G C 0.178 175.130 174.900 0.087 0.000 1.024 607 G CA 0.253 45.403 45.100 0.084 0.000 0.755 607 G HN 0.257 nan 8.290 nan 0.000 0.507 608 M N -0.110 119.551 119.600 0.102 0.000 2.283 608 M HA 0.366 4.847 4.480 0.001 0.000 0.314 608 M C -1.135 175.204 176.300 0.065 0.000 1.153 608 M CA -2.441 52.913 55.300 0.091 0.000 1.084 608 M CB 0.501 33.172 32.600 0.120 0.000 1.468 608 M HN -0.008 nan 8.290 nan 0.000 0.474 609 P HA 0.320 nan 4.420 nan 0.000 0.261 609 P C -0.501 176.834 177.300 0.058 0.000 1.352 609 P CA 0.434 63.565 63.100 0.051 0.000 0.891 609 P CB 0.443 32.172 31.700 0.047 0.000 1.383 610 L N -0.642 120.622 121.223 0.068 0.000 2.309 610 L HA 0.483 4.823 4.340 0.001 0.000 0.261 610 L C 0.386 177.301 176.870 0.075 0.000 1.021 610 L CA -1.170 53.717 54.840 0.079 0.000 0.823 610 L CB 2.356 44.471 42.059 0.094 0.000 1.366 610 L HN -0.368 nan 8.230 nan 0.000 0.423 611 K N 0.862 121.305 120.400 0.072 0.000 2.172 611 K HA 0.110 4.431 4.320 0.001 0.000 0.276 611 K C 0.269 176.931 176.600 0.105 0.000 1.013 611 K CA -0.510 55.817 56.287 0.067 0.000 0.913 611 K CB 1.154 33.672 32.500 0.030 0.000 1.055 611 K HN 0.632 nan 8.250 nan 0.000 0.461 612 D N 1.271 121.761 120.400 0.150 0.000 2.271 612 D HA -0.132 4.509 4.640 0.001 0.000 0.207 612 D C 0.545 176.945 176.300 0.167 0.000 0.983 612 D CA 0.937 55.096 54.000 0.265 0.000 0.878 612 D CB 0.165 41.205 40.800 0.401 0.000 0.920 612 D HN 0.116 nan 8.370 nan 0.000 0.479 613 V N -1.592 118.355 119.914 0.055 0.000 3.216 613 V HA 0.522 4.642 4.120 0.001 0.000 0.302 613 V C -1.704 174.325 176.094 -0.108 0.000 1.286 613 V CA -0.357 61.870 62.300 -0.121 0.000 1.048 613 V CB 2.467 34.147 31.823 -0.239 0.000 1.081 613 V HN 0.169 nan 8.190 nan 0.000 0.442 614 T N 4.304 118.722 114.554 -0.227 0.000 3.435 614 T HA 0.474 4.825 4.350 0.001 0.000 0.344 614 T C -1.469 173.001 174.700 -0.383 0.000 1.211 614 T CA -0.120 61.819 62.100 -0.268 0.000 1.104 614 T CB 0.836 69.545 68.868 -0.265 0.000 1.196 614 T HN 0.422 nan 8.240 nan 0.000 0.471 615 F N 2.884 122.736 119.950 -0.163 0.000 2.404 615 F HA 0.611 5.138 4.527 0.001 0.000 0.354 615 F C -0.026 175.644 175.800 -0.217 0.000 1.122 615 F CA -0.676 57.314 58.000 -0.016 0.000 1.080 615 F CB 0.762 39.800 39.000 0.064 0.000 1.131 615 F HN 0.506 nan 8.300 nan 0.000 0.471 616 Y N 0.963 121.392 120.300 0.216 0.000 2.519 616 Y HA 0.520 5.070 4.550 0.001 0.000 0.324 616 Y C 0.864 176.853 175.900 0.149 0.000 1.214 616 Y CA -0.674 57.489 58.100 0.104 0.000 1.260 616 Y CB 1.230 39.698 38.460 0.012 0.000 1.311 616 Y HN 0.465 nan 8.280 nan 0.000 0.505 617 T N 1.024 115.738 114.554 0.266 0.000 2.902 617 T HA 0.142 4.492 4.350 0.001 0.000 0.287 617 T C 0.865 175.663 174.700 0.164 0.000 1.048 617 T CA -0.580 61.651 62.100 0.219 0.000 0.941 617 T CB 0.476 69.428 68.868 0.140 0.000 1.432 617 T HN 0.576 nan 8.240 nan 0.000 0.586 618 L N 0.065 121.360 121.223 0.119 0.000 2.202 618 L HA 0.277 4.618 4.340 0.001 0.000 0.205 618 L C 1.123 178.019 176.870 0.043 0.000 1.083 618 L CA 1.023 55.909 54.840 0.077 0.000 0.790 618 L CB -0.747 41.354 42.059 0.070 0.000 0.942 618 L HN 0.613 nan 8.230 nan 0.000 0.452 619 E N 0.772 121.001 120.200 0.049 0.000 3.188 619 E HA 0.300 4.651 4.350 0.001 0.000 0.262 619 E C 0.440 177.077 176.600 0.062 0.000 1.341 619 E CA -0.268 56.156 56.400 0.040 0.000 1.140 619 E CB -0.477 29.247 29.700 0.040 0.000 1.306 619 E HN 0.091 nan 8.360 nan 0.000 0.694 620 G N 0.112 108.950 108.800 0.063 0.000 4.420 620 G HA2 0.356 4.316 3.960 0.001 0.000 0.299 620 G HA3 0.356 4.316 3.960 0.001 0.000 0.299 620 G C -0.446 174.559 174.900 0.174 0.000 1.343 620 G CA -0.442 44.688 45.100 0.049 0.000 1.272 620 G HN 0.179 nan 8.290 nan 0.000 0.610 621 R N 0.507 121.174 120.500 0.280 0.000 2.510 621 R HA 0.274 4.614 4.340 0.001 0.000 0.287 621 R C -0.459 175.922 176.300 0.135 0.000 1.084 621 R CA -0.863 55.353 56.100 0.194 0.000 0.934 621 R CB 0.945 31.308 30.300 0.105 0.000 1.201 621 R HN 0.358 nan 8.270 nan 0.000 0.431 622 E N 2.481 122.685 120.200 0.005 0.000 2.442 622 E HA 0.066 4.416 4.350 0.001 0.000 0.262 622 E C -0.511 176.032 176.600 -0.095 0.000 1.004 622 E CA -0.083 56.214 56.400 -0.173 0.000 0.928 622 E CB 0.711 30.305 29.700 -0.177 0.000 0.937 622 E HN 0.332 nan 8.360 nan 0.000 0.446 623 V N 5.090 124.930 119.914 -0.123 0.000 2.811 623 V HA 0.020 4.140 4.120 0.001 0.000 0.302 623 V C 0.430 176.473 176.094 -0.085 0.000 1.063 623 V CA 0.278 62.513 62.300 -0.109 0.000 1.088 623 V CB 1.040 32.758 31.823 -0.176 0.000 0.982 623 V HN 0.780 nan 8.190 nan 0.000 0.485 624 D N 2.650 123.025 120.400 -0.042 0.000 2.414 624 D HA 0.195 4.836 4.640 0.001 0.000 0.241 624 D C 0.689 176.993 176.300 0.006 0.000 1.008 624 D CA -0.704 53.273 54.000 -0.037 0.000 1.001 624 D CB 1.863 42.651 40.800 -0.021 0.000 1.277 624 D HN 0.547 nan 8.370 nan 0.000 0.538 625 E N -0.353 119.838 120.200 -0.015 0.000 2.219 625 E HA -0.246 4.104 4.350 0.001 0.000 0.198 625 E C 1.311 177.964 176.600 0.089 0.000 0.998 625 E CA 1.177 57.586 56.400 0.015 0.000 0.818 625 E CB 0.254 29.947 29.700 -0.012 0.000 0.741 625 E HN 0.221 nan 8.360 nan 0.000 0.477 626 K N -0.175 120.260 120.400 0.059 0.000 2.121 626 K HA -0.026 4.295 4.320 0.001 0.000 0.203 626 K C 2.175 178.811 176.600 0.060 0.000 1.041 626 K CA 1.355 57.674 56.287 0.053 0.000 0.969 626 K CB -0.654 31.863 32.500 0.028 0.000 0.799 626 K HN 0.067 nan 8.250 nan 0.000 0.456 627 T N 0.758 115.345 114.554 0.055 0.000 2.897 627 T HA -0.144 4.207 4.350 0.001 0.000 0.271 627 T C 1.385 176.122 174.700 0.061 0.000 1.084 627 T CA 1.091 63.222 62.100 0.052 0.000 1.123 627 T CB -0.209 68.677 68.868 0.031 0.000 0.865 627 T HN 0.447 nan 8.240 nan 0.000 0.496 628 W N 0.867 122.092 121.300 -0.126 0.000 2.518 628 W HA 0.062 4.723 4.660 0.001 0.000 0.273 628 W C 1.620 178.099 176.519 -0.067 0.000 1.247 628 W CA 0.783 58.029 57.345 -0.165 0.000 1.288 628 W CB -0.146 29.193 29.460 -0.201 0.000 1.107 628 W HN 0.280 nan 8.180 nan 0.000 0.586 629 S N 0.435 116.139 115.700 0.007 0.000 2.486 629 S HA -0.042 4.428 4.470 0.001 0.000 0.220 629 S C 0.938 175.487 174.600 -0.086 0.000 1.011 629 S CA 0.442 58.600 58.200 -0.070 0.000 0.921 629 S CB -0.031 63.191 63.200 0.035 0.000 0.785 629 S HN 0.191 nan 8.310 nan 0.000 0.517 630 S N 2.757 118.432 115.700 -0.040 0.000 2.586 630 S HA 0.448 4.919 4.470 0.001 0.000 0.274 630 S C -2.519 172.056 174.600 -0.041 0.000 1.281 630 S CA -1.432 56.750 58.200 -0.030 0.000 1.035 630 S CB 0.585 63.785 63.200 0.000 0.000 0.962 630 S HN 0.063 nan 8.310 nan 0.000 0.512 631 P HA 0.319 nan 4.420 nan 0.000 0.280 631 P C -0.005 177.262 177.300 -0.056 0.000 1.278 631 P CA 0.006 63.062 63.100 -0.074 0.000 0.787 631 P CB 0.303 31.960 31.700 -0.070 0.000 1.163 632 T N -2.279 112.224 114.554 -0.085 0.000 2.774 632 T HA 0.187 4.537 4.350 0.001 0.000 0.325 632 T C -1.120 173.523 174.700 -0.095 0.000 1.753 632 T CA -0.501 61.549 62.100 -0.083 0.000 1.024 632 T CB 0.222 69.022 68.868 -0.112 0.000 1.628 632 T HN 0.430 nan 8.240 nan 0.000 0.497 633 Q N 1.468 121.196 119.800 -0.120 0.000 2.112 633 Q HA 0.467 4.807 4.340 0.001 0.000 0.222 633 Q C -0.258 175.638 176.000 -0.174 0.000 0.798 633 Q CA -0.204 55.448 55.803 -0.253 0.000 1.060 633 Q CB 1.422 29.953 28.738 -0.344 0.000 1.184 633 Q HN 0.478 nan 8.270 nan 0.000 0.475 634 L N 0.801 121.998 121.223 -0.044 0.000 2.518 634 L HA 0.475 4.815 4.340 0.001 0.000 0.262 634 L C -1.539 175.293 176.870 -0.063 0.000 0.982 634 L CA -0.836 54.000 54.840 -0.006 0.000 0.873 634 L CB 1.316 43.376 42.059 0.003 0.000 1.198 634 L HN -0.149 nan 8.230 nan 0.000 0.427 635 V N 5.494 125.372 119.914 -0.059 0.000 2.532 635 V HA 0.574 4.694 4.120 0.001 0.000 0.295 635 V C 0.005 176.237 176.094 0.230 0.000 1.041 635 V CA -0.334 61.895 62.300 -0.119 0.000 0.926 635 V CB 1.840 33.476 31.823 -0.312 0.000 0.992 635 V HN 0.589 nan 8.190 nan 0.000 0.457 636 I N 5.461 126.312 120.570 0.468 0.000 2.627 636 I HA 0.550 4.721 4.170 0.001 0.000 0.288 636 I C -1.191 175.240 176.117 0.523 0.000 1.202 636 I CA -0.263 61.269 61.300 0.387 0.000 1.050 636 I CB 1.832 39.926 38.000 0.156 0.000 1.264 636 I HN 0.739 nan 8.210 nan 0.000 0.429 637 F N 4.840 124.852 119.950 0.102 0.000 2.641 637 F HA 0.833 5.361 4.527 0.001 0.000 0.308 637 F C -1.883 173.897 175.800 -0.034 0.000 1.105 637 F CA -1.067 56.891 58.000 -0.070 0.000 0.964 637 F CB 1.285 40.029 39.000 -0.426 0.000 1.294 637 F HN -0.032 nan 8.300 nan 0.000 0.442 638 V N 3.935 123.841 119.914 -0.013 0.000 2.487 638 V HA 0.453 4.574 4.120 0.001 0.000 0.298 638 V C -0.413 175.683 176.094 0.003 0.000 1.028 638 V CA -0.711 61.602 62.300 0.022 0.000 0.860 638 V CB 1.744 33.704 31.823 0.227 0.000 0.991 638 V HN 0.738 nan 8.190 nan 0.000 0.427 639 L N 4.424 125.659 121.223 0.021 0.000 2.272 639 L HA 0.538 4.879 4.340 0.001 0.000 0.289 639 L C 0.129 177.065 176.870 0.109 0.000 1.032 639 L CA -0.585 54.223 54.840 -0.054 0.000 0.810 639 L CB 1.385 43.343 42.059 -0.168 0.000 1.205 639 L HN 0.519 nan 8.230 nan 0.000 0.422 640 E N 3.121 123.396 120.200 0.124 0.000 1.861 640 E HA 0.102 4.452 4.350 0.001 0.000 0.263 640 E C 1.196 177.911 176.600 0.191 0.000 1.137 640 E CA -0.090 56.406 56.400 0.160 0.000 0.944 640 E CB 1.338 31.130 29.700 0.154 0.000 1.092 640 E HN 0.817 nan 8.360 nan 0.000 0.420 641 G N 2.430 111.337 108.800 0.179 0.000 2.606 641 G HA2 -0.371 3.589 3.960 0.001 0.000 0.221 641 G HA3 -0.371 3.589 3.960 0.001 0.000 0.221 641 G C 1.548 176.533 174.900 0.142 0.000 1.152 641 G CA 1.170 46.374 45.100 0.174 0.000 0.765 641 G HN 0.433 nan 8.290 nan 0.000 0.595 642 S N -0.629 115.140 115.700 0.115 0.000 2.395 642 S HA 0.038 4.509 4.470 0.001 0.000 0.225 642 S C 1.586 176.263 174.600 0.128 0.000 1.027 642 S CA 0.656 58.909 58.200 0.089 0.000 0.965 642 S CB 0.240 63.475 63.200 0.060 0.000 0.812 642 S HN 0.147 nan 8.310 nan 0.000 0.482 643 V N 2.648 122.667 119.914 0.176 0.000 3.164 643 V HA 0.271 4.392 4.120 0.001 0.000 0.388 643 V C -0.030 176.236 176.094 0.286 0.000 1.279 643 V CA 0.182 62.632 62.300 0.249 0.000 1.426 643 V CB -1.139 30.804 31.823 0.199 0.000 1.330 643 V HN 0.415 nan 8.190 nan 0.000 0.511 644 M N 1.041 120.799 119.600 0.263 0.000 2.314 644 M HA 0.315 4.796 4.480 0.001 0.000 0.342 644 M C 0.250 176.742 176.300 0.319 0.000 1.171 644 M CA -0.254 55.170 55.300 0.208 0.000 1.098 644 M CB 1.267 33.934 32.600 0.111 0.000 1.559 644 M HN 0.112 nan 8.290 nan 0.000 0.459 645 D N 1.909 122.418 120.400 0.181 0.000 3.168 645 D HA 0.072 4.713 4.640 0.001 0.000 0.255 645 D C -0.800 175.550 176.300 0.083 0.000 1.314 645 D CA 0.135 54.283 54.000 0.247 0.000 0.900 645 D CB 0.333 41.172 40.800 0.065 0.000 1.072 645 D HN 0.267 nan 8.370 nan 0.000 0.487 646 E N 0.949 121.180 120.200 0.051 0.000 2.113 646 E HA 0.271 4.622 4.350 0.001 0.000 0.273 646 E C -0.534 176.077 176.600 0.018 0.000 0.924 646 E CA -0.794 55.605 56.400 -0.001 0.000 0.764 646 E CB 1.541 31.221 29.700 -0.033 0.000 1.104 646 E HN 0.292 nan 8.360 nan 0.000 0.406 647 I N 3.514 124.097 120.570 0.022 0.000 2.404 647 I HA 0.095 4.266 4.170 0.001 0.000 0.293 647 I C 0.563 176.694 176.117 0.022 0.000 0.992 647 I CA -0.715 60.597 61.300 0.020 0.000 1.149 647 I CB 1.163 39.178 38.000 0.025 0.000 1.315 647 I HN 0.374 nan 8.210 nan 0.000 0.446 648 N N 5.705 124.427 118.700 0.037 0.000 2.322 648 N HA 0.120 4.861 4.740 0.001 0.000 0.270 648 N C 0.700 176.203 175.510 -0.010 0.000 1.286 648 N CA -0.316 52.762 53.050 0.045 0.000 0.948 648 N CB 0.143 38.709 38.487 0.131 0.000 1.164 648 N HN 0.668 nan 8.380 nan 0.000 0.551 649 M N -3.126 116.398 119.600 -0.127 0.000 2.619 649 M HA 0.146 4.626 4.480 0.001 0.000 0.251 649 M C -0.075 175.978 176.300 -0.412 0.000 1.106 649 M CA 1.024 56.137 55.300 -0.312 0.000 1.086 649 M CB -0.391 31.933 32.600 -0.459 0.000 1.465 649 M HN 0.476 nan 8.290 nan 0.000 0.506 650 Y N 0.760 121.049 120.300 -0.018 0.000 2.467 650 Y HA 0.509 5.059 4.550 0.001 0.000 0.250 650 Y C 1.608 177.497 175.900 -0.018 0.000 1.155 650 Y CA 0.097 58.186 58.100 -0.018 0.000 1.249 650 Y CB 0.392 38.840 38.460 -0.020 0.000 1.146 650 Y HN 0.481 nan 8.280 nan 0.000 0.524 651 G N 0.598 109.451 108.800 0.087 0.000 2.141 651 G HA2 -0.263 3.698 3.960 0.001 0.000 0.242 651 G HA3 -0.263 3.698 3.960 0.001 0.000 0.242 651 G C -0.219 174.703 174.900 0.037 0.000 0.982 651 G CA -0.258 44.869 45.100 0.045 0.000 0.662 651 G HN 0.410 nan 8.290 nan 0.000 0.527 652 E N 0.443 120.676 120.200 0.055 0.000 2.259 652 E HA 0.460 4.810 4.350 0.001 0.000 0.281 652 E C 0.814 177.408 176.600 -0.010 0.000 1.027 652 E CA -0.702 55.705 56.400 0.013 0.000 0.838 652 E CB 1.164 30.875 29.700 0.019 0.000 1.066 652 E HN 0.269 nan 8.360 nan 0.000 0.401 653 R N 2.553 123.015 120.500 -0.063 0.000 2.707 653 R HA 0.310 4.651 4.340 0.001 0.000 0.270 653 R C -0.283 175.979 176.300 -0.062 0.000 1.083 653 R CA -0.036 56.010 56.100 -0.090 0.000 1.182 653 R CB 0.513 30.670 30.300 -0.239 0.000 1.084 653 R HN 0.577 nan 8.270 nan 0.000 0.528 654 I N 2.630 123.176 120.570 -0.039 0.000 2.714 654 I HA 0.175 4.346 4.170 0.001 0.000 0.276 654 I C -0.146 175.978 176.117 0.012 0.000 1.196 654 I CA -0.498 60.798 61.300 -0.008 0.000 1.068 654 I CB 1.483 39.487 38.000 0.007 0.000 1.291 654 I HN 0.626 nan 8.210 nan 0.000 0.530 655 A N 3.337 126.162 122.820 0.008 0.000 2.520 655 A HA 0.229 4.549 4.320 0.001 0.000 0.235 655 A C -0.236 177.389 177.584 0.069 0.000 1.065 655 A CA 0.526 52.585 52.037 0.036 0.000 0.764 655 A CB 0.444 19.456 19.000 0.020 0.000 1.002 655 A HN 0.625 nan 8.150 nan 0.000 0.502 656 D N -0.730 119.736 120.400 0.110 0.000 2.723 656 D HA 0.395 5.036 4.640 0.001 0.000 0.247 656 D C -0.780 175.611 176.300 0.152 0.000 1.134 656 D CA -0.402 53.704 54.000 0.176 0.000 1.099 656 D CB 0.974 41.928 40.800 0.256 0.000 1.287 656 D HN 0.527 nan 8.370 nan 0.000 0.634 657 D N -0.481 120.035 120.400 0.193 0.000 2.348 657 D HA 0.291 4.932 4.640 0.001 0.000 0.249 657 D C -0.476 175.776 176.300 -0.081 0.000 1.110 657 D CA -0.160 53.819 54.000 -0.035 0.000 0.967 657 D CB 0.763 41.429 40.800 -0.223 0.000 1.139 657 D HN -0.019 nan 8.370 nan 0.000 0.466 658 S N 0.266 115.853 115.700 -0.189 0.000 2.452 658 S HA 0.404 4.874 4.470 0.001 0.000 0.284 658 S C -0.473 174.045 174.600 -0.138 0.000 1.171 658 S CA -0.530 57.635 58.200 -0.058 0.000 1.064 658 S CB -0.010 63.163 63.200 -0.045 0.000 0.967 658 S HN 0.192 nan 8.310 nan 0.000 0.484 659 F N 1.917 121.975 119.950 0.180 0.000 2.497 659 F HA 0.679 5.207 4.527 0.001 0.000 0.331 659 F C -0.107 175.866 175.800 0.288 0.000 1.060 659 F CA -1.188 56.975 58.000 0.270 0.000 0.989 659 F CB 1.092 40.243 39.000 0.252 0.000 1.245 659 F HN 0.298 nan 8.300 nan 0.000 0.486 660 L N 3.142 124.622 121.223 0.428 0.000 2.485 660 L HA 0.566 4.906 4.340 0.001 0.000 0.260 660 L C -1.454 175.339 176.870 -0.128 0.000 0.998 660 L CA -0.420 54.397 54.840 -0.038 0.000 0.883 660 L CB 0.357 42.130 42.059 -0.477 0.000 1.196 660 L HN 0.352 nan 8.230 nan 0.000 0.443 661 I N 5.795 126.080 120.570 -0.475 0.000 2.352 661 I HA 0.318 4.488 4.170 0.001 0.000 0.290 661 I C -0.002 175.990 176.117 -0.209 0.000 1.036 661 I CA 0.274 61.343 61.300 -0.384 0.000 1.336 661 I CB 0.927 38.503 38.000 -0.706 0.000 1.407 661 I HN 0.438 nan 8.210 nan 0.000 0.497 662 I N 7.647 128.221 120.570 0.006 0.000 2.390 662 I HA 0.314 4.484 4.170 0.001 0.000 0.283 662 I C -0.724 175.495 176.117 0.170 0.000 1.016 662 I CA -0.341 60.985 61.300 0.043 0.000 1.151 662 I CB 0.561 38.529 38.000 -0.054 0.000 1.293 662 I HN 0.262 nan 8.210 nan 0.000 0.458 663 L N 6.509 127.859 121.223 0.211 0.000 2.265 663 L HA 0.444 4.785 4.340 0.001 0.000 0.289 663 L C -0.083 176.877 176.870 0.149 0.000 1.033 663 L CA -0.265 54.722 54.840 0.246 0.000 0.814 663 L CB 1.117 43.284 42.059 0.181 0.000 1.203 663 L HN 0.610 nan 8.230 nan 0.000 0.423 664 N N 2.282 121.072 118.700 0.151 0.000 2.569 664 N HA 0.407 5.148 4.740 0.001 0.000 0.254 664 N C 0.298 175.767 175.510 -0.069 0.000 1.004 664 N CA -0.151 52.919 53.050 0.034 0.000 0.904 664 N CB 1.696 40.230 38.487 0.078 0.000 1.165 664 N HN 0.748 nan 8.380 nan 0.000 0.513 665 A N 3.075 125.610 122.820 -0.476 0.000 2.195 665 A HA 0.014 4.334 4.320 0.001 0.000 0.210 665 A C 0.902 178.271 177.584 -0.359 0.000 1.165 665 A CA -0.124 51.533 52.037 -0.633 0.000 0.806 665 A CB -0.127 17.849 19.000 -1.707 0.000 0.847 665 A HN 0.730 nan 8.150 nan 0.000 0.482 666 N N 1.352 119.890 118.700 -0.269 0.000 2.294 666 N HA -0.040 4.700 4.740 0.001 0.000 0.263 666 N C -1.455 173.998 175.510 -0.095 0.000 1.281 666 N CA -0.683 52.269 53.050 -0.162 0.000 0.846 666 N CB 1.103 39.531 38.487 -0.099 0.000 1.061 666 N HN 0.139 nan 8.380 nan 0.000 0.478 667 P HA -0.129 nan 4.420 nan 0.000 0.217 667 P C -0.145 177.146 177.300 -0.015 0.000 1.150 667 P CA 1.239 64.302 63.100 -0.061 0.000 0.832 667 P CB 0.326 31.966 31.700 -0.100 0.000 0.787 668 N N -0.197 118.490 118.700 -0.022 0.000 2.413 668 N HA 0.126 4.866 4.740 0.001 0.000 0.266 668 N C 0.212 175.733 175.510 0.019 0.000 1.238 668 N CA -0.629 52.421 53.050 0.001 0.000 0.972 668 N CB 0.433 38.916 38.487 -0.007 0.000 1.210 668 N HN 0.065 nan 8.380 nan 0.000 0.547 669 N N -0.379 118.340 118.700 0.032 0.000 2.424 669 N HA 0.324 5.064 4.740 0.001 0.000 0.257 669 N C -0.707 174.827 175.510 0.040 0.000 1.250 669 N CA -0.493 52.587 53.050 0.049 0.000 0.946 669 N CB 1.046 39.566 38.487 0.055 0.000 1.175 669 N HN 0.203 nan 8.380 nan 0.000 0.477 670 V N -2.199 117.748 119.914 0.054 0.000 3.206 670 V HA 0.599 4.720 4.120 0.001 0.000 0.305 670 V C -1.519 174.611 176.094 0.059 0.000 1.257 670 V CA -1.044 61.283 62.300 0.046 0.000 1.057 670 V CB 2.026 33.871 31.823 0.038 0.000 1.075 670 V HN 0.489 nan 8.190 nan 0.000 0.443 671 K N 1.832 122.262 120.400 0.051 0.000 2.507 671 K HA 0.710 5.031 4.320 0.001 0.000 0.253 671 K C -0.650 175.985 176.600 0.058 0.000 0.969 671 K CA -0.329 55.993 56.287 0.059 0.000 0.908 671 K CB 1.632 34.159 32.500 0.046 0.000 1.127 671 K HN 1.034 nan 8.250 nan 0.000 0.437 672 V N -0.627 119.332 119.914 0.075 0.000 2.539 672 V HA 0.507 4.627 4.120 0.001 0.000 0.292 672 V C -0.059 176.089 176.094 0.091 0.000 1.045 672 V CA -0.827 61.498 62.300 0.043 0.000 0.945 672 V CB 1.558 33.358 31.823 -0.038 0.000 0.993 672 V HN 0.589 nan 8.190 nan 0.000 0.464 673 K N 3.231 123.650 120.400 0.031 0.000 2.264 673 K HA 0.445 4.765 4.320 0.001 0.000 0.277 673 K C -1.199 175.389 176.600 -0.020 0.000 1.067 673 K CA -0.603 55.718 56.287 0.056 0.000 0.900 673 K CB 0.607 33.122 32.500 0.025 0.000 1.124 673 K HN 0.650 nan 8.250 nan 0.000 0.469 674 F N 5.780 125.568 119.950 -0.269 0.000 2.529 674 F HA 0.136 4.663 4.527 0.001 0.000 0.365 674 F C -1.413 174.162 175.800 -0.374 0.000 1.102 674 F CA -1.808 55.925 58.000 -0.445 0.000 1.271 674 F CB 0.150 38.864 39.000 -0.477 0.000 1.120 674 F HN 0.465 nan 8.300 nan 0.000 0.579 675 P HA 0.035 nan 4.420 nan 0.000 0.274 675 P C -0.671 176.676 177.300 0.079 0.000 1.256 675 P CA -0.589 62.357 63.100 -0.258 0.000 0.795 675 P CB 0.560 31.904 31.700 -0.593 0.000 1.038 676 K N 0.277 120.775 120.400 0.162 0.000 2.580 676 K HA 0.217 4.537 4.320 0.001 0.000 0.278 676 K C 1.115 177.970 176.600 0.424 0.000 0.960 676 K CA 0.961 57.386 56.287 0.230 0.000 0.988 676 K CB -1.226 31.373 32.500 0.164 0.000 0.887 676 K HN 0.999 nan 8.250 nan 0.000 0.509 677 G N 0.391 109.366 108.800 0.293 0.000 2.685 677 G HA2 -0.219 3.741 3.960 0.001 0.000 0.387 677 G HA3 -0.219 3.741 3.960 0.001 0.000 0.387 677 G C -1.169 173.836 174.900 0.175 0.000 1.324 677 G CA -0.072 45.117 45.100 0.148 0.000 0.878 677 G HN 0.729 nan 8.290 nan 0.000 0.527 678 K N -0.802 119.429 120.400 -0.281 0.000 2.378 678 K HA 0.623 4.944 4.320 0.001 0.000 0.252 678 K C -1.658 174.764 176.600 -0.297 0.000 0.931 678 K CA -1.029 55.204 56.287 -0.089 0.000 0.794 678 K CB 1.354 33.829 32.500 -0.042 0.000 1.181 678 K HN 0.593 nan 8.250 nan 0.000 0.425 679 W N 3.857 125.226 121.300 0.115 0.000 2.330 679 W HA 0.216 4.877 4.660 0.001 0.000 0.286 679 W C -0.299 176.419 176.519 0.332 0.000 1.019 679 W CA -0.547 56.940 57.345 0.237 0.000 1.485 679 W CB 1.014 30.669 29.460 0.326 0.000 1.457 679 W HN 0.551 nan 8.180 nan 0.000 0.359 680 E N 2.549 122.931 120.200 0.303 0.000 2.418 680 E HA 0.072 4.423 4.350 0.001 0.000 0.261 680 E C -0.249 176.417 176.600 0.109 0.000 1.070 680 E CA -0.199 56.314 56.400 0.189 0.000 0.931 680 E CB 0.955 30.698 29.700 0.072 0.000 0.954 680 E HN 0.291 nan 8.360 nan 0.000 0.439 681 L N 5.189 126.375 121.223 -0.061 0.000 2.371 681 L HA 0.366 4.707 4.340 0.001 0.000 0.272 681 L C -0.854 175.878 176.870 -0.230 0.000 1.124 681 L CA -0.181 54.415 54.840 -0.407 0.000 0.816 681 L CB 1.337 43.243 42.059 -0.254 0.000 1.129 681 L HN 0.448 nan 8.230 nan 0.000 0.448 682 V N 7.175 126.916 119.914 -0.288 0.000 2.555 682 V HA 0.466 4.587 4.120 0.001 0.000 0.283 682 V C -0.387 175.578 176.094 -0.215 0.000 1.020 682 V CA -0.369 61.836 62.300 -0.158 0.000 0.883 682 V CB 0.682 32.472 31.823 -0.055 0.000 1.030 682 V HN 0.903 nan 8.190 nan 0.000 0.448 683 I N 4.123 124.601 120.570 -0.154 0.000 8.817 683 I HA -0.019 4.152 4.170 0.001 0.000 0.164 683 I C -0.173 175.917 176.117 -0.045 0.000 1.863 683 I CA 1.042 62.272 61.300 -0.116 0.000 2.037 683 I CB -1.044 36.793 38.000 -0.270 0.000 3.902 683 I HN 1.217 nan 8.210 nan 0.000 0.169 684 S N 1.459 117.199 115.700 0.066 0.000 2.671 684 S HA 0.467 4.937 4.470 0.001 0.000 0.270 684 S C -0.226 174.392 174.600 0.030 0.000 1.166 684 S CA -0.092 58.112 58.200 0.006 0.000 0.868 684 S CB 1.608 64.758 63.200 -0.083 0.000 1.190 684 S HN 0.646 nan 8.310 nan 0.000 0.494 685 S N -0.755 114.850 115.700 -0.158 0.000 2.503 685 S HA 0.293 4.764 4.470 0.001 0.000 0.217 685 S C -0.208 174.340 174.600 -0.086 0.000 0.999 685 S CA -0.248 57.844 58.200 -0.179 0.000 0.914 685 S CB -0.471 62.590 63.200 -0.232 0.000 0.782 685 S HN 0.521 nan 8.310 nan 0.000 0.520 686 Y N 1.711 122.018 120.300 0.011 0.000 2.745 686 Y HA -0.015 4.535 4.550 0.001 0.000 0.335 686 Y C 0.945 176.841 175.900 -0.006 0.000 1.212 686 Y CA -0.687 57.418 58.100 0.009 0.000 1.535 686 Y CB 0.195 38.678 38.460 0.038 0.000 1.220 686 Y HN 0.095 nan 8.280 nan 0.000 0.531 687 L N 3.950 125.257 121.223 0.140 0.000 2.554 687 L HA 0.007 4.348 4.340 0.001 0.000 0.226 687 L C 0.695 177.601 176.870 0.060 0.000 1.137 687 L CA 0.713 55.589 54.840 0.060 0.000 0.863 687 L CB -0.434 41.628 42.059 0.005 0.000 0.985 687 L HN 0.516 nan 8.230 nan 0.000 0.451 688 R N -0.340 120.199 120.500 0.065 0.000 2.536 688 R HA 0.329 4.670 4.340 0.001 0.000 0.279 688 R C 0.168 176.479 176.300 0.018 0.000 1.001 688 R CA -0.800 55.307 56.100 0.012 0.000 1.027 688 R CB 0.356 30.628 30.300 -0.047 0.000 1.096 688 R HN -0.005 nan 8.270 nan 0.000 0.502 689 E N 2.364 122.568 120.200 0.006 0.000 2.868 689 E HA -0.139 4.212 4.350 0.001 0.000 0.246 689 E C -0.660 175.939 176.600 -0.001 0.000 0.962 689 E CA -0.105 56.302 56.400 0.012 0.000 0.955 689 E CB 0.263 29.964 29.700 0.003 0.000 0.903 689 E HN 0.401 nan 8.360 nan 0.000 0.524 690 I N 5.712 126.304 120.570 0.038 0.000 2.664 690 I HA -0.090 4.081 4.170 0.001 0.000 0.284 690 I C 0.976 177.106 176.117 0.022 0.000 1.154 690 I CA 0.720 62.051 61.300 0.052 0.000 1.402 690 I CB 0.056 38.118 38.000 0.103 0.000 1.395 690 I HN 0.355 nan 8.210 nan 0.000 0.545 691 K N 9.262 129.654 120.400 -0.013 0.000 2.524 691 K HA -0.006 4.314 4.320 0.001 0.000 0.279 691 K C -1.282 175.330 176.600 0.019 0.000 0.993 691 K CA -0.767 55.513 56.287 -0.012 0.000 1.030 691 K CB 0.314 32.794 32.500 -0.034 0.000 0.891 691 K HN 0.417 nan 8.250 nan 0.000 0.488 692 P HA -0.105 nan 4.420 nan 0.000 0.239 692 P C -0.439 176.875 177.300 0.023 0.000 1.184 692 P CA 1.031 64.143 63.100 0.021 0.000 0.760 692 P CB 0.216 31.924 31.700 0.013 0.000 0.884 693 E N -0.633 119.579 120.200 0.020 0.000 2.501 693 E HA 0.107 4.457 4.350 0.001 0.000 0.201 693 E C 1.177 177.794 176.600 0.028 0.000 1.016 693 E CA 0.041 56.450 56.400 0.015 0.000 0.920 693 E CB -0.053 29.647 29.700 0.001 0.000 1.023 693 E HN 0.288 nan 8.360 nan 0.000 0.474 694 E N 1.004 121.243 120.200 0.064 0.000 2.489 694 E HA 0.057 4.408 4.350 0.001 0.000 0.204 694 E C 1.558 178.265 176.600 0.178 0.000 1.006 694 E CA -0.112 56.366 56.400 0.130 0.000 0.936 694 E CB 0.282 30.088 29.700 0.177 0.000 1.002 694 E HN 0.156 nan 8.360 nan 0.000 0.488 695 R N 1.011 121.580 120.500 0.116 0.000 2.310 695 R HA 0.133 4.474 4.340 0.001 0.000 0.202 695 R C -0.082 176.293 176.300 0.125 0.000 0.933 695 R CA 0.390 56.552 56.100 0.104 0.000 1.054 695 R CB 0.132 30.470 30.300 0.063 0.000 0.985 695 R HN -0.035 nan 8.270 nan 0.000 0.489 696 I N 0.723 121.372 120.570 0.130 0.000 2.918 696 I HA 0.383 4.553 4.170 0.001 0.000 0.301 696 I C -1.000 175.150 176.117 0.056 0.000 1.312 696 I CA -0.879 60.504 61.300 0.139 0.000 1.007 696 I CB 2.516 40.566 38.000 0.082 0.000 1.281 696 I HN -0.113 nan 8.210 nan 0.000 0.440 697 I N 2.821 123.424 120.570 0.055 0.000 2.569 697 I HA 0.486 4.657 4.170 0.001 0.000 0.290 697 I C -0.682 175.466 176.117 0.051 0.000 1.088 697 I CA -0.425 60.785 61.300 -0.150 0.000 1.047 697 I CB 2.034 39.563 38.000 -0.785 0.000 1.237 697 I HN 0.653 nan 8.210 nan 0.000 0.421 698 E N 2.499 122.703 120.200 0.007 0.000 2.336 698 E HA 0.587 4.938 4.350 0.001 0.000 0.267 698 E C 0.307 176.945 176.600 0.064 0.000 0.906 698 E CA -0.474 55.971 56.400 0.075 0.000 0.781 698 E CB 2.129 31.853 29.700 0.040 0.000 1.261 698 E HN 0.828 nan 8.360 nan 0.000 0.436 699 G N 2.599 111.456 108.800 0.094 0.000 2.366 699 G HA2 -0.337 3.623 3.960 0.001 0.000 0.299 699 G HA3 -0.337 3.623 3.960 0.001 0.000 0.299 699 G C 0.325 175.262 174.900 0.061 0.000 1.020 699 G CA 1.136 46.277 45.100 0.069 0.000 1.026 699 G HN 0.849 nan 8.290 nan 0.000 0.512 700 E N -2.159 118.094 120.200 0.089 0.000 3.680 700 E HA -0.319 4.031 4.350 0.001 0.000 0.309 700 E C 1.537 178.163 176.600 0.043 0.000 0.793 700 E CA 1.862 58.303 56.400 0.069 0.000 1.083 700 E CB -0.604 29.131 29.700 0.059 0.000 1.548 700 E HN 1.046 nan 8.360 nan 0.000 0.456 701 K N 1.811 122.221 120.400 0.015 0.000 2.284 701 K HA 0.164 4.485 4.320 0.001 0.000 0.243 701 K C 0.303 176.883 176.600 -0.034 0.000 1.075 701 K CA 0.333 56.611 56.287 -0.015 0.000 0.868 701 K CB 0.500 32.976 32.500 -0.039 0.000 1.157 701 K HN 0.169 nan 8.250 nan 0.000 0.512 702 E N -0.477 119.691 120.200 -0.054 0.000 2.433 702 E HA 0.586 4.936 4.350 0.001 0.000 0.273 702 E C -1.615 174.954 176.600 -0.052 0.000 0.950 702 E CA -1.189 55.212 56.400 0.002 0.000 0.796 702 E CB 1.547 31.270 29.700 0.038 0.000 1.330 702 E HN 0.414 nan 8.360 nan 0.000 0.455 703 L N -0.097 121.143 121.223 0.029 0.000 2.556 703 L HA 0.447 4.787 4.340 0.001 0.000 0.257 703 L C -1.490 175.436 176.870 0.093 0.000 0.955 703 L CA -0.372 54.484 54.840 0.026 0.000 0.850 703 L CB 2.201 44.240 42.059 -0.033 0.000 1.398 703 L HN 0.834 nan 8.230 nan 0.000 0.412 704 E N 3.426 123.674 120.200 0.081 0.000 2.313 704 E HA 0.589 4.939 4.350 0.001 0.000 0.272 704 E C -1.305 175.383 176.600 0.147 0.000 1.038 704 E CA -0.482 55.973 56.400 0.093 0.000 0.863 704 E CB 0.992 30.729 29.700 0.062 0.000 1.060 704 E HN 0.665 nan 8.360 nan 0.000 0.402 705 I N 3.872 124.534 120.570 0.153 0.000 2.497 705 I HA 0.122 4.293 4.170 0.001 0.000 0.284 705 I C -0.511 175.720 176.117 0.190 0.000 1.060 705 I CA -0.625 60.807 61.300 0.219 0.000 1.071 705 I CB 1.801 39.913 38.000 0.187 0.000 1.216 705 I HN 0.572 nan 8.210 nan 0.000 0.442 706 E N 4.056 124.405 120.200 0.248 0.000 2.568 706 E HA 0.039 4.390 4.350 0.001 0.000 0.262 706 E C 0.822 177.518 176.600 0.161 0.000 0.961 706 E CA 0.137 56.656 56.400 0.198 0.000 0.945 706 E CB 0.532 30.387 29.700 0.257 0.000 0.924 706 E HN 0.748 nan 8.360 nan 0.000 0.467 707 G N 2.652 111.516 108.800 0.105 0.000 2.825 707 G HA2 -0.159 3.802 3.960 0.001 0.000 0.241 707 G HA3 -0.159 3.802 3.960 0.001 0.000 0.241 707 G C -0.396 174.570 174.900 0.109 0.000 1.239 707 G CA -0.393 44.755 45.100 0.079 0.000 0.859 707 G HN 0.740 nan 8.290 nan 0.000 0.598 708 R N -0.923 119.648 120.500 0.118 0.000 2.788 708 R HA -0.147 4.193 4.340 0.001 0.000 0.258 708 R C -0.688 175.695 176.300 0.138 0.000 0.895 708 R CA 0.926 57.136 56.100 0.184 0.000 0.702 708 R CB -2.278 28.102 30.300 0.134 0.000 1.661 708 R HN 0.526 nan 8.270 nan 0.000 0.520 709 T N -0.235 114.450 114.554 0.217 0.000 3.193 709 T HA 0.592 4.942 4.350 0.001 0.000 0.332 709 T C -0.911 173.894 174.700 0.175 0.000 1.208 709 T CA -0.239 61.890 62.100 0.048 0.000 1.080 709 T CB 1.923 70.747 68.868 -0.073 0.000 1.180 709 T HN 0.511 nan 8.240 nan 0.000 0.469 710 A N 2.913 125.780 122.820 0.078 0.000 2.330 710 A HA 0.928 5.249 4.320 0.001 0.000 0.327 710 A C -1.379 176.250 177.584 0.074 0.000 1.155 710 A CA -0.614 51.545 52.037 0.203 0.000 0.803 710 A CB 0.526 19.684 19.000 0.263 0.000 1.208 710 A HN 0.642 nan 8.150 nan 0.000 0.477 711 L N 2.058 123.366 121.223 0.142 0.000 2.436 711 L HA 0.572 4.913 4.340 0.001 0.000 0.268 711 L C -0.577 176.419 176.870 0.209 0.000 0.974 711 L CA -0.401 54.537 54.840 0.164 0.000 0.826 711 L CB 2.073 44.335 42.059 0.339 0.000 1.291 711 L HN 0.410 nan 8.230 nan 0.000 0.406 712 V N 2.703 122.680 119.914 0.106 0.000 2.513 712 V HA 0.542 4.662 4.120 0.001 0.000 0.299 712 V C -1.036 175.133 176.094 0.125 0.000 1.035 712 V CA -0.639 61.753 62.300 0.154 0.000 0.889 712 V CB 1.680 33.523 31.823 0.034 0.000 0.988 712 V HN 0.478 nan 8.190 nan 0.000 0.440 713 Y N 2.806 123.249 120.300 0.238 0.000 2.499 713 Y HA 0.628 5.178 4.550 0.001 0.000 0.347 713 Y C 0.225 176.354 175.900 0.382 0.000 0.987 713 Y CA -0.917 57.383 58.100 0.333 0.000 1.044 713 Y CB 1.895 40.598 38.460 0.406 0.000 1.245 713 Y HN 0.419 nan 8.280 nan 0.000 0.461 714 R N 3.113 123.818 120.500 0.342 0.000 2.337 714 R HA 0.342 4.683 4.340 0.001 0.000 0.319 714 R C -0.560 175.664 176.300 -0.127 0.000 0.954 714 R CA -0.824 55.260 56.100 -0.027 0.000 0.840 714 R CB 0.896 31.104 30.300 -0.154 0.000 1.164 714 R HN 0.785 nan 8.270 nan 0.000 0.472 715 R N 5.957 126.156 120.500 -0.502 0.000 2.404 715 R HA 0.050 4.390 4.340 0.001 0.000 0.315 715 R C 0.924 176.924 176.300 -0.501 0.000 1.032 715 R CA 0.246 55.753 56.100 -0.989 0.000 0.992 715 R CB 0.265 29.725 30.300 -1.400 0.000 0.959 715 R HN 0.746 nan 8.270 nan 0.000 0.428 716 I N 0.234 120.581 120.570 -0.373 0.000 3.976 716 I HA 0.387 4.558 4.170 0.001 0.000 0.337 716 I C -0.454 175.550 176.117 -0.188 0.000 1.359 716 I CA -0.136 61.036 61.300 -0.212 0.000 1.098 716 I CB 0.270 38.199 38.000 -0.119 0.000 1.027 716 I HN 0.552 nan 8.210 nan 0.000 0.394 717 E N 1.442 121.489 120.200 -0.254 0.000 2.649 717 E HA 0.396 4.746 4.350 0.001 0.000 0.308 717 E C -2.279 174.208 176.600 -0.188 0.000 1.017 717 E CA -0.536 55.761 56.400 -0.171 0.000 0.848 717 E CB 2.354 31.989 29.700 -0.108 0.000 1.240 717 E HN 0.114 nan 8.360 nan 0.000 0.421 718 L N 0.000 121.152 121.223 -0.119 0.000 2.949 718 L HA 0.000 4.341 4.340 0.001 0.000 0.249 718 L CA 0.000 54.798 54.840 -0.071 0.000 0.813 718 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 718 L HN 0.000 nan 8.230 nan 0.000 0.502