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 3clb_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDG LPDEXXXXXH ADSIVAVNGG LEQALQLLAS PNYTPSIETV DATA SEQUENCE YCIGGGSVYA EALRPPCVHL LQAIYRTTIR ASESSCSVFF RVPESGTEAA DATA SEQUENCE AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL SLVDRIIREG DATA SEQUENCE NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR DATA SEQUENCE GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG DATA SEQUENCE AAYTHHDANY DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP DATA SEQUENCE PCHLLAQFYV SNGELSCMLY QRSCDMGLGV PFNIASYALL TILIAKATGL DATA SEQUENCE RPGELVHTLG DAHVYSNHVE PCNEQLKRVP RAFPYLVFRR EREFLEDYEE DATA SEQUENCE GDMEVIDYAP YPPIS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.420 174.600 -0.299 0.000 1.055 2 S CA 0.000 57.940 58.200 -0.434 0.000 1.107 2 S CB 0.000 63.076 63.200 -0.206 0.000 0.593 3 L N 2.877 123.953 121.223 -0.244 0.000 3.782 3 L HA -0.316 4.023 4.340 -0.001 0.000 0.053 3 L C 0.800 177.456 176.870 -0.357 0.000 4.256 3 L CA 1.978 56.652 54.840 -0.277 0.000 0.725 3 L CB -1.210 40.746 42.059 -0.172 0.000 3.466 3 L HN 0.676 nan 8.230 nan 0.000 0.901 4 F N 0.903 120.805 119.950 -0.081 0.000 2.660 4 F HA 0.230 4.756 4.527 -0.001 0.000 0.302 4 F C 1.192 176.962 175.800 -0.050 0.000 1.103 4 F CA 0.115 58.090 58.000 -0.042 0.000 1.340 4 F CB 0.054 39.047 39.000 -0.012 0.000 1.048 4 F HN 0.049 nan 8.300 nan 0.000 0.551 5 K N 0.265 120.671 120.400 0.010 0.000 2.109 5 K HA 0.542 4.861 4.320 -0.001 0.000 0.243 5 K C -0.364 176.325 176.600 0.148 0.000 1.006 5 K CA -0.635 55.661 56.287 0.015 0.000 0.917 5 K CB 1.309 33.692 32.500 -0.196 0.000 1.081 5 K HN -0.067 nan 8.250 nan 0.000 0.468 6 I N 1.784 122.484 120.570 0.217 0.000 2.304 6 I HA 0.199 4.369 4.170 -0.001 0.000 0.291 6 I C 0.201 176.489 176.117 0.285 0.000 1.018 6 I CA -0.467 60.954 61.300 0.201 0.000 1.260 6 I CB 1.140 39.201 38.000 0.102 0.000 1.390 6 I HN 0.393 nan 8.210 nan 0.000 0.475 7 R N 7.322 127.935 120.500 0.188 0.000 2.316 7 R HA 0.285 4.625 4.340 -0.001 0.000 0.314 7 R C -0.188 176.051 176.300 -0.101 0.000 1.069 7 R CA -0.684 55.370 56.100 -0.076 0.000 0.959 7 R CB 0.566 30.791 30.300 -0.124 0.000 0.987 7 R HN 0.476 nan 8.270 nan 0.000 0.446 8 M N 5.174 124.684 119.600 -0.151 0.000 2.250 8 M HA 0.166 4.646 4.480 -0.001 0.000 0.325 8 M C -1.821 174.415 176.300 -0.107 0.000 1.084 8 M CA -2.100 53.147 55.300 -0.088 0.000 1.161 8 M CB -0.087 32.481 32.600 -0.053 0.000 1.481 8 M HN 0.512 nan 8.290 nan 0.000 0.449 9 P HA 0.043 nan 4.420 nan 0.000 0.272 9 P C 0.647 177.902 177.300 -0.074 0.000 1.240 9 P CA -0.178 62.879 63.100 -0.072 0.000 0.791 9 P CB 0.336 32.001 31.700 -0.059 0.000 0.978 10 E N -0.341 119.820 120.200 -0.065 0.000 2.152 10 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 10 E C 0.017 176.590 176.600 -0.045 0.000 0.983 10 E CA 1.478 57.843 56.400 -0.058 0.000 0.818 10 E CB -0.988 28.682 29.700 -0.050 0.000 0.758 10 E HN 0.394 nan 8.360 nan 0.000 0.467 11 T N 1.124 115.655 114.554 -0.039 0.000 2.926 11 T HA 0.527 4.876 4.350 -0.001 0.000 0.289 11 T C -0.020 174.663 174.700 -0.029 0.000 1.054 11 T CA -0.461 61.622 62.100 -0.029 0.000 1.015 11 T CB 2.169 71.024 68.868 -0.022 0.000 1.167 11 T HN 0.095 nan 8.240 nan 0.000 0.526 12 V N -0.112 119.791 119.914 -0.018 0.000 2.686 12 V HA 0.680 4.800 4.120 -0.001 0.000 0.295 12 V C 0.732 176.820 176.094 -0.011 0.000 1.055 12 V CA -1.376 60.916 62.300 -0.014 0.000 1.050 12 V CB -0.381 31.443 31.823 0.001 0.000 0.984 12 V HN 1.117 nan 8.190 nan 0.000 0.482 13 A N 2.919 125.732 122.820 -0.012 0.000 2.546 13 A HA 0.161 4.481 4.320 -0.001 0.000 0.243 13 A C 0.539 178.124 177.584 0.002 0.000 1.063 13 A CA -0.097 51.936 52.037 -0.008 0.000 0.757 13 A CB -0.583 18.414 19.000 -0.006 0.000 0.991 13 A HN 0.984 nan 8.150 nan 0.000 0.503 14 E N 0.939 121.139 120.200 0.000 0.000 2.606 14 E HA 0.261 4.611 4.350 -0.001 0.000 0.248 14 E C 1.252 177.860 176.600 0.012 0.000 1.005 14 E CA 1.422 57.825 56.400 0.005 0.000 0.946 14 E CB 0.011 29.712 29.700 0.002 0.000 0.928 14 E HN 1.191 nan 8.360 nan 0.000 0.494 15 G N 2.619 111.429 108.800 0.016 0.000 2.231 15 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.206 15 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.206 15 G C 0.476 175.393 174.900 0.029 0.000 0.996 15 G CA -0.041 45.072 45.100 0.023 0.000 0.645 15 G HN 0.641 nan 8.290 nan 0.000 0.498 16 T N -0.471 114.100 114.554 0.028 0.000 2.856 16 T HA 0.528 4.878 4.350 -0.001 0.000 0.306 16 T C 0.271 174.991 174.700 0.034 0.000 1.062 16 T CA 0.560 62.681 62.100 0.036 0.000 1.083 16 T CB 2.002 70.892 68.868 0.037 0.000 0.984 16 T HN 0.941 nan 8.240 nan 0.000 0.542 17 R N 1.336 121.859 120.500 0.039 0.000 2.744 17 R HA 0.472 4.812 4.340 -0.001 0.000 0.279 17 R C -1.117 175.197 176.300 0.024 0.000 0.977 17 R CA -0.959 55.158 56.100 0.028 0.000 0.906 17 R CB 1.230 31.546 30.300 0.027 0.000 1.197 17 R HN 0.690 nan 8.270 nan 0.000 0.463 18 L N 2.776 124.007 121.223 0.014 0.000 2.453 18 L HA 0.205 4.545 4.340 -0.001 0.000 0.272 18 L C 0.683 177.544 176.870 -0.013 0.000 1.182 18 L CA -0.064 54.781 54.840 0.009 0.000 0.858 18 L CB 0.988 43.050 42.059 0.004 0.000 1.120 18 L HN 0.809 nan 8.230 nan 0.000 0.474 19 A N 5.813 128.626 122.820 -0.012 0.000 2.546 19 A HA 0.310 4.629 4.320 -0.001 0.000 0.243 19 A C -0.276 177.261 177.584 -0.080 0.000 1.063 19 A CA 0.024 52.029 52.037 -0.053 0.000 0.757 19 A CB -0.153 18.835 19.000 -0.021 0.000 0.991 19 A HN 0.630 nan 8.150 nan 0.000 0.503 20 L N 2.359 123.492 121.223 -0.151 0.000 2.317 20 L HA 0.492 4.832 4.340 -0.001 0.000 0.281 20 L C 0.548 177.354 176.870 -0.108 0.000 1.024 20 L CA -0.954 53.815 54.840 -0.118 0.000 0.810 20 L CB 1.614 43.609 42.059 -0.107 0.000 1.240 20 L HN 0.849 nan 8.230 nan 0.000 0.427 21 R N 2.183 122.663 120.500 -0.034 0.000 2.539 21 R HA 0.506 4.846 4.340 -0.001 0.000 0.275 21 R C -0.464 175.907 176.300 0.118 0.000 1.077 21 R CA -0.114 55.998 56.100 0.019 0.000 1.097 21 R CB 1.161 31.465 30.300 0.008 0.000 1.018 21 R HN 0.667 nan 8.270 nan 0.000 0.483 22 A N 4.336 127.232 122.820 0.127 0.000 2.328 22 A HA 0.514 4.834 4.320 -0.001 0.000 0.284 22 A C -0.882 176.821 177.584 0.198 0.000 1.160 22 A CA -0.411 51.727 52.037 0.169 0.000 0.818 22 A CB -0.174 18.892 19.000 0.111 0.000 1.087 22 A HN 0.620 nan 8.150 nan 0.000 0.504 23 F N 0.454 120.408 119.950 0.006 0.000 2.620 23 F HA 0.849 5.375 4.527 -0.000 0.000 0.320 23 F C -0.140 175.678 175.800 0.029 0.000 1.069 23 F CA -1.139 56.844 58.000 -0.028 0.000 0.953 23 F CB 1.139 40.141 39.000 0.002 0.000 1.322 23 F HN 0.324 nan 8.300 nan 0.000 0.479 24 S N 1.673 117.383 115.700 0.018 0.000 2.621 24 S HA 0.718 5.188 4.470 -0.001 0.000 0.302 24 S C -1.201 173.636 174.600 0.395 0.000 1.093 24 S CA -0.749 57.529 58.200 0.130 0.000 1.017 24 S CB 1.855 65.254 63.200 0.332 0.000 1.077 24 S HN 0.838 nan 8.310 nan 0.000 0.517 25 L N 2.341 123.787 121.223 0.371 0.000 2.322 25 L HA 0.726 5.066 4.340 -0.001 0.000 0.281 25 L C -1.545 175.575 176.870 0.415 0.000 1.014 25 L CA -0.533 54.559 54.840 0.420 0.000 0.815 25 L CB 1.200 43.435 42.059 0.293 0.000 1.247 25 L HN 0.437 nan 8.230 nan 0.000 0.421 26 V N 5.678 125.846 119.914 0.424 0.000 2.487 26 V HA 0.661 4.781 4.120 -0.001 0.000 0.298 26 V C -0.611 175.647 176.094 0.274 0.000 1.028 26 V CA -0.557 61.973 62.300 0.384 0.000 0.860 26 V CB 1.790 33.835 31.823 0.370 0.000 0.991 26 V HN 0.550 nan 8.190 nan 0.000 0.427 27 V N 3.793 123.781 119.914 0.122 0.000 3.087 27 V HA 0.949 5.068 4.120 -0.001 0.000 0.306 27 V C -0.881 175.232 176.094 0.032 0.000 1.187 27 V CA -0.152 62.093 62.300 -0.092 0.000 0.999 27 V CB 2.468 33.795 31.823 -0.826 0.000 1.049 27 V HN 1.142 nan 8.190 nan 0.000 0.431 28 A N 4.800 127.664 122.820 0.073 0.000 2.330 28 A HA 0.917 5.236 4.320 -0.001 0.000 0.313 28 A C -0.848 176.861 177.584 0.208 0.000 1.124 28 A CA -0.088 52.039 52.037 0.149 0.000 0.774 28 A CB 1.562 20.736 19.000 0.290 0.000 1.198 28 A HN 1.947 nan 8.150 nan 0.000 0.465 29 V N 0.271 120.203 119.914 0.030 0.000 2.962 29 V HA 0.823 4.943 4.120 -0.001 0.000 0.313 29 V C -0.595 175.335 176.094 -0.273 0.000 1.099 29 V CA -0.877 61.444 62.300 0.035 0.000 0.971 29 V CB 1.831 33.703 31.823 0.082 0.000 1.028 29 V HN 0.938 nan 8.190 nan 0.000 0.430 30 D N 0.973 121.243 120.400 -0.215 0.000 2.451 30 D HA 0.275 4.914 4.640 -0.001 0.000 0.259 30 D C 0.717 176.954 176.300 -0.105 0.000 1.201 30 D CA -0.236 53.592 54.000 -0.287 0.000 1.028 30 D CB 0.693 41.381 40.800 -0.187 0.000 1.095 30 D HN 0.678 nan 8.370 nan 0.000 0.539 31 E N -1.117 119.032 120.200 -0.084 0.000 2.204 31 E HA -0.080 4.269 4.350 -0.001 0.000 0.194 31 E C 1.799 178.422 176.600 0.039 0.000 0.989 31 E CA 0.412 56.798 56.400 -0.022 0.000 0.824 31 E CB 0.024 29.713 29.700 -0.018 0.000 0.756 31 E HN 0.312 nan 8.360 nan 0.000 0.477 32 R N -0.280 120.271 120.500 0.085 0.000 2.316 32 R HA -0.024 4.315 4.340 -0.001 0.000 0.202 32 R C 1.040 177.496 176.300 0.260 0.000 1.029 32 R CA 0.689 56.886 56.100 0.161 0.000 1.018 32 R CB 0.225 30.668 30.300 0.239 0.000 0.888 32 R HN 0.315 nan 8.270 nan 0.000 0.471 33 G N -0.140 108.793 108.800 0.222 0.000 2.157 33 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.248 33 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.248 33 G C 0.327 175.443 174.900 0.359 0.000 0.979 33 G CA -0.097 45.172 45.100 0.282 0.000 0.650 33 G HN 0.524 nan 8.290 nan 0.000 0.529 34 G N -0.021 108.919 108.800 0.234 0.000 2.403 34 G HA2 0.606 4.565 3.960 -0.001 0.000 0.259 34 G HA3 0.606 4.565 3.960 -0.001 0.000 0.259 34 G C 1.092 176.075 174.900 0.137 0.000 1.244 34 G CA -0.015 45.023 45.100 -0.104 0.000 0.849 34 G HN 1.182 nan 8.290 nan 0.000 0.532 35 I N 0.156 120.748 120.570 0.037 0.000 4.187 35 I HA 0.579 4.748 4.170 -0.001 0.000 0.326 35 I C 0.807 176.867 176.117 -0.095 0.000 1.302 35 I CA 0.023 61.405 61.300 0.136 0.000 1.196 35 I CB 0.621 38.718 38.000 0.161 0.000 1.095 35 I HN 0.630 nan 8.210 nan 0.000 0.411 36 G N 0.429 109.119 108.800 -0.184 0.000 2.441 36 G HA2 0.194 4.154 3.960 -0.001 0.000 0.294 36 G HA3 0.194 4.154 3.960 -0.001 0.000 0.294 36 G C -1.327 173.444 174.900 -0.215 0.000 1.393 36 G CA -0.244 44.702 45.100 -0.257 0.000 0.796 36 G HN -0.034 nan 8.290 nan 0.000 0.494 37 D N -0.406 119.882 120.400 -0.187 0.000 2.349 37 D HA 0.302 4.942 4.640 -0.001 0.000 0.214 37 D C 1.748 177.990 176.300 -0.096 0.000 1.063 37 D CA 1.337 55.258 54.000 -0.133 0.000 0.847 37 D CB 1.128 41.857 40.800 -0.119 0.000 0.933 37 D HN 1.310 nan 8.370 nan 0.000 0.513 38 G N 1.467 110.209 108.800 -0.097 0.000 2.376 38 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.208 38 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.208 38 G C 1.205 176.064 174.900 -0.068 0.000 1.032 38 G CA -0.320 44.741 45.100 -0.064 0.000 0.641 38 G HN 0.291 nan 8.290 nan 0.000 0.503 39 R N 0.227 120.678 120.500 -0.083 0.000 2.541 39 R HA 0.416 4.756 4.340 -0.001 0.000 0.332 39 R C 0.454 176.690 176.300 -0.107 0.000 0.951 39 R CA 0.973 57.025 56.100 -0.080 0.000 1.136 39 R CB 1.286 31.550 30.300 -0.060 0.000 1.449 39 R HN 0.856 nan 8.270 nan 0.000 0.531 40 S N -0.377 115.237 115.700 -0.144 0.000 2.615 40 S HA 0.469 4.939 4.470 -0.001 0.000 0.269 40 S C -0.727 173.702 174.600 -0.287 0.000 1.161 40 S CA -0.992 57.094 58.200 -0.189 0.000 0.817 40 S CB 1.574 64.676 63.200 -0.163 0.000 1.131 40 S HN -0.051 nan 8.310 nan 0.000 0.467 41 I N 2.064 122.411 120.570 -0.372 0.000 2.371 41 I HA 0.311 4.481 4.170 -0.001 0.000 0.290 41 I C -1.613 174.124 176.117 -0.633 0.000 1.028 41 I CA -2.101 58.811 61.300 -0.648 0.000 1.345 41 I CB 0.622 38.201 38.000 -0.703 0.000 1.407 41 I HN 0.576 nan 8.210 nan 0.000 0.501 42 P HA -0.039 nan 4.420 nan 0.000 0.225 42 P C -0.572 176.630 177.300 -0.163 0.000 1.156 42 P CA 0.831 63.723 63.100 -0.346 0.000 0.787 42 P CB 0.126 31.723 31.700 -0.172 0.000 0.802 43 W N -0.629 120.632 121.300 -0.065 0.000 2.736 43 W HA 0.657 5.317 4.660 0.000 0.000 0.355 43 W C -0.787 175.689 176.519 -0.072 0.000 1.102 43 W CA -1.311 55.995 57.345 -0.065 0.000 1.164 43 W CB -0.093 29.324 29.460 -0.071 0.000 1.422 43 W HN -0.350 nan 8.180 nan 0.000 0.572 44 N N 1.061 119.884 118.700 0.205 0.000 2.569 44 N HA 0.465 5.204 4.740 -0.001 0.000 0.254 44 N C -2.116 173.446 175.510 0.086 0.000 1.004 44 N CA -0.593 52.517 53.050 0.099 0.000 0.904 44 N CB 1.295 39.801 38.487 0.031 0.000 1.165 44 N HN 0.411 nan 8.380 nan 0.000 0.513 45 V N 6.196 126.160 119.914 0.084 0.000 2.380 45 V HA 0.336 4.455 4.120 -0.001 0.000 0.268 45 V C -1.654 174.392 176.094 -0.079 0.000 1.008 45 V CA -1.237 61.031 62.300 -0.054 0.000 0.823 45 V CB 1.477 33.198 31.823 -0.170 0.000 1.053 45 V HN 0.557 nan 8.190 nan 0.000 0.446 46 P HA -0.133 nan 4.420 nan 0.000 0.218 46 P C 1.275 178.564 177.300 -0.018 0.000 1.146 46 P CA 1.119 64.201 63.100 -0.029 0.000 0.813 46 P CB 0.488 32.178 31.700 -0.016 0.000 0.778 47 E N -0.899 119.250 120.200 -0.085 0.000 2.204 47 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 47 E C 1.664 178.347 176.600 0.138 0.000 0.989 47 E CA 1.125 57.521 56.400 -0.008 0.000 0.824 47 E CB -0.694 28.926 29.700 -0.134 0.000 0.756 47 E HN 0.352 nan 8.360 nan 0.000 0.477 48 D N -0.705 119.714 120.400 0.033 0.000 2.162 48 D HA -0.114 4.526 4.640 -0.001 0.000 0.203 48 D C 1.657 178.118 176.300 0.269 0.000 0.967 48 D CA 0.852 54.994 54.000 0.236 0.000 0.840 48 D CB 0.142 41.006 40.800 0.107 0.000 0.972 48 D HN -0.054 nan 8.370 nan 0.000 0.482 49 M N 0.553 120.236 119.600 0.137 0.000 2.108 49 M HA -0.131 4.348 4.480 -0.001 0.000 0.261 49 M C 2.209 178.601 176.300 0.154 0.000 1.066 49 M CA 1.403 56.775 55.300 0.120 0.000 1.107 49 M CB -1.103 31.509 32.600 0.019 0.000 1.356 49 M HN 0.096 nan 8.290 nan 0.000 0.406 50 K N -0.068 120.404 120.400 0.120 0.000 2.026 50 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 50 K C 1.955 178.595 176.600 0.067 0.000 1.048 50 K CA 1.374 57.708 56.287 0.077 0.000 0.929 50 K CB -0.495 32.052 32.500 0.078 0.000 0.713 50 K HN 0.123 nan 8.250 nan 0.000 0.439 51 F N 0.592 120.528 119.950 -0.024 0.000 2.161 51 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 51 F C 1.803 177.528 175.800 -0.125 0.000 1.089 51 F CA 1.602 59.504 58.000 -0.164 0.000 1.282 51 F CB -0.409 38.411 39.000 -0.299 0.000 1.010 51 F HN 0.168 nan 8.300 nan 0.000 0.485 52 F N 0.975 120.885 119.950 -0.066 0.000 2.146 52 F HA -0.078 4.448 4.527 -0.001 0.000 0.298 52 F C 2.663 178.293 175.800 -0.283 0.000 1.096 52 F CA 1.918 59.810 58.000 -0.179 0.000 1.275 52 F CB -0.703 38.286 39.000 -0.018 0.000 1.008 52 F HN -0.122 nan 8.300 nan 0.000 0.480 53 R N 0.361 120.719 120.500 -0.236 0.000 2.083 53 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 53 R C 1.914 177.957 176.300 -0.429 0.000 1.137 53 R CA 2.206 58.108 56.100 -0.330 0.000 0.951 53 R CB -0.576 29.646 30.300 -0.130 0.000 0.851 53 R HN 0.268 nan 8.270 nan 0.000 0.434 54 D N -0.255 119.912 120.400 -0.388 0.000 2.144 54 D HA -0.130 4.510 4.640 -0.001 0.000 0.200 54 D C 1.786 177.767 176.300 -0.532 0.000 0.978 54 D CA 0.889 54.658 54.000 -0.385 0.000 0.833 54 D CB -0.153 40.465 40.800 -0.303 0.000 0.961 54 D HN 0.117 nan 8.370 nan 0.000 0.470 55 V N 1.080 120.514 119.914 -0.799 0.000 2.453 55 V HA -0.161 3.959 4.120 -0.001 0.000 0.247 55 V C 2.329 177.823 176.094 -1.000 0.000 1.048 55 V CA 2.398 64.125 62.300 -0.955 0.000 1.049 55 V CB -0.359 30.649 31.823 -1.359 0.000 0.672 55 V HN 0.345 nan 8.190 nan 0.000 0.457 56 T N -4.747 109.174 114.554 -1.054 0.000 3.054 56 T HA -0.044 4.306 4.350 -0.001 0.000 0.259 56 T C 1.676 176.092 174.700 -0.473 0.000 1.092 56 T CA 1.275 62.735 62.100 -1.066 0.000 1.121 56 T CB -0.079 68.154 68.868 -1.058 0.000 0.912 56 T HN 0.431 nan 8.240 nan 0.000 0.489 57 T N 1.331 115.645 114.554 -0.402 0.000 2.901 57 T HA 0.176 4.525 4.350 -0.001 0.000 0.252 57 T C 0.807 175.419 174.700 -0.146 0.000 1.035 57 T CA 0.389 62.357 62.100 -0.220 0.000 1.142 57 T CB -0.048 68.698 68.868 -0.203 0.000 0.869 57 T HN 0.376 nan 8.240 nan 0.000 0.442 58 K N 1.252 121.545 120.400 -0.178 0.000 2.414 58 K HA 0.339 4.658 4.320 -0.001 0.000 0.272 58 K C -0.418 176.143 176.600 -0.065 0.000 0.993 58 K CA 0.014 56.230 56.287 -0.119 0.000 0.964 58 K CB 0.442 32.856 32.500 -0.143 0.000 0.925 58 K HN 0.158 nan 8.250 nan 0.000 0.487 59 L N 1.653 122.850 121.223 -0.044 0.000 2.421 59 L HA 0.392 4.731 4.340 -0.001 0.000 0.267 59 L C 1.644 178.499 176.870 -0.026 0.000 1.036 59 L CA -0.828 53.999 54.840 -0.021 0.000 0.829 59 L CB 0.775 42.825 42.059 -0.014 0.000 1.437 59 L HN 0.526 nan 8.230 nan 0.000 0.488 60 R N -0.034 120.454 120.500 -0.021 0.000 2.153 60 R HA 0.047 4.387 4.340 -0.001 0.000 0.218 60 R C 0.985 177.270 176.300 -0.025 0.000 1.072 60 R CA 0.662 56.745 56.100 -0.027 0.000 0.990 60 R CB -0.169 30.111 30.300 -0.033 0.000 0.889 60 R HN 0.828 nan 8.270 nan 0.000 0.452 61 G N 1.273 110.061 108.800 -0.020 0.000 2.447 61 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.269 61 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.269 61 G C 0.515 175.406 174.900 -0.015 0.000 1.455 61 G CA -0.309 44.782 45.100 -0.015 0.000 1.061 61 G HN 0.006 nan 8.290 nan 0.000 0.545 62 K N -0.073 120.320 120.400 -0.011 0.000 1.995 62 K HA 0.018 4.338 4.320 -0.001 0.000 0.217 62 K C 0.385 176.977 176.600 -0.013 0.000 1.030 62 K CA 0.580 56.861 56.287 -0.010 0.000 0.971 62 K CB -0.589 31.907 32.500 -0.006 0.000 0.775 62 K HN 0.294 nan 8.250 nan 0.000 0.446 63 N N 1.342 120.035 118.700 -0.012 0.000 2.904 63 N HA 0.177 4.916 4.740 -0.001 0.000 0.257 63 N C -1.481 174.021 175.510 -0.014 0.000 1.363 63 N CA -0.124 52.917 53.050 -0.014 0.000 0.856 63 N CB 0.931 39.411 38.487 -0.012 0.000 1.166 63 N HN -0.084 nan 8.380 nan 0.000 0.499 64 V N 2.355 122.260 119.914 -0.016 0.000 2.339 64 V HA 0.184 4.304 4.120 -0.001 0.000 0.261 64 V C 0.918 177.003 176.094 -0.016 0.000 1.058 64 V CA -0.704 61.589 62.300 -0.013 0.000 0.897 64 V CB 0.261 32.077 31.823 -0.011 0.000 1.052 64 V HN 0.191 nan 8.190 nan 0.000 0.480 65 K N 5.704 126.096 120.400 -0.013 0.000 2.484 65 K HA 0.147 4.467 4.320 -0.001 0.000 0.280 65 K C -2.266 174.327 176.600 -0.011 0.000 1.013 65 K CA -1.081 55.197 56.287 -0.014 0.000 1.029 65 K CB 0.466 32.960 32.500 -0.010 0.000 0.902 65 K HN 0.422 nan 8.250 nan 0.000 0.481 66 P HA 0.021 nan 4.420 nan 0.000 0.271 66 P C -0.978 176.321 177.300 -0.001 0.000 1.220 66 P CA -0.160 62.935 63.100 -0.008 0.000 0.768 66 P CB 1.015 32.707 31.700 -0.013 0.000 0.848 67 S N 2.469 118.171 115.700 0.003 0.000 2.627 67 S HA 0.566 5.036 4.470 -0.001 0.000 0.283 67 S C -2.346 172.260 174.600 0.010 0.000 1.127 67 S CA -1.740 56.463 58.200 0.005 0.000 0.863 67 S CB 1.465 64.666 63.200 0.001 0.000 1.121 67 S HN 0.038 nan 8.310 nan 0.000 0.479 68 P HA -0.017 nan 4.420 nan 0.000 0.222 68 P C 1.285 178.587 177.300 0.004 0.000 1.142 68 P CA 1.599 64.705 63.100 0.010 0.000 0.788 68 P CB -0.158 31.544 31.700 0.002 0.000 0.767 69 A N -1.223 121.598 122.820 0.002 0.000 1.898 69 A HA -0.041 4.279 4.320 -0.001 0.000 0.214 69 A C 1.253 178.841 177.584 0.007 0.000 1.183 69 A CA 1.104 53.141 52.037 -0.000 0.000 0.622 69 A CB -0.400 18.599 19.000 -0.001 0.000 0.824 69 A HN 0.119 nan 8.150 nan 0.000 0.444 70 K N -0.260 120.147 120.400 0.011 0.000 2.687 70 K HA 0.404 4.724 4.320 -0.001 0.000 0.249 70 K C -0.916 175.695 176.600 0.018 0.000 0.994 70 K CA -0.523 55.773 56.287 0.015 0.000 0.913 70 K CB 0.934 33.441 32.500 0.010 0.000 1.202 70 K HN 0.637 nan 8.250 nan 0.000 0.460 71 R N 1.067 121.584 120.500 0.029 0.000 2.781 71 R HA 0.472 4.812 4.340 -0.001 0.000 0.268 71 R C -1.076 175.252 176.300 0.046 0.000 1.047 71 R CA -1.122 54.997 56.100 0.032 0.000 0.925 71 R CB 0.629 30.949 30.300 0.034 0.000 1.246 71 R HN 0.234 nan 8.270 nan 0.000 0.456 72 N N -0.664 118.070 118.700 0.056 0.000 2.482 72 N HA 0.607 5.346 4.740 -0.001 0.000 0.279 72 N C -1.093 174.472 175.510 0.093 0.000 1.182 72 N CA -0.339 52.765 53.050 0.089 0.000 0.969 72 N CB 1.856 40.443 38.487 0.167 0.000 1.201 72 N HN 0.687 nan 8.380 nan 0.000 0.523 73 A N -0.009 122.872 122.820 0.102 0.000 2.374 73 A HA 0.649 4.969 4.320 -0.001 0.000 0.317 73 A C -0.589 177.080 177.584 0.141 0.000 1.094 73 A CA -0.691 51.400 52.037 0.090 0.000 0.765 73 A CB 0.909 19.932 19.000 0.038 0.000 1.268 73 A HN 0.405 nan 8.150 nan 0.000 0.438 74 V N 0.248 120.237 119.914 0.125 0.000 2.487 74 V HA 0.756 4.876 4.120 -0.001 0.000 0.298 74 V C -0.519 175.637 176.094 0.103 0.000 1.028 74 V CA -0.731 61.664 62.300 0.159 0.000 0.860 74 V CB 0.941 32.864 31.823 0.166 0.000 0.991 74 V HN 0.597 nan 8.190 nan 0.000 0.427 75 V N 7.103 127.066 119.914 0.083 0.000 2.394 75 V HA 0.663 4.783 4.120 -0.001 0.000 0.282 75 V C 0.223 176.330 176.094 0.021 0.000 1.031 75 V CA -0.280 62.025 62.300 0.009 0.000 0.881 75 V CB 1.284 33.067 31.823 -0.066 0.000 0.982 75 V HN 1.095 nan 8.190 nan 0.000 0.451 76 M N 3.386 122.990 119.600 0.008 0.000 2.593 76 M HA 0.860 5.340 4.480 -0.001 0.000 0.290 76 M C 0.078 176.359 176.300 -0.031 0.000 1.244 76 M CA -0.556 54.745 55.300 0.002 0.000 0.857 76 M CB 2.161 34.816 32.600 0.091 0.000 1.738 76 M HN 0.580 nan 8.290 nan 0.000 0.461 77 G N 0.907 109.674 108.800 -0.055 0.000 2.606 77 G HA2 0.240 4.200 3.960 -0.001 0.000 0.252 77 G HA3 0.240 4.200 3.960 -0.001 0.000 0.252 77 G C 0.326 175.233 174.900 0.011 0.000 1.206 77 G CA -0.573 44.500 45.100 -0.046 0.000 0.861 77 G HN 0.980 nan 8.290 nan 0.000 0.561 78 R N 0.340 120.841 120.500 0.002 0.000 2.081 78 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 78 R C 2.270 178.635 176.300 0.109 0.000 1.131 78 R CA 1.551 57.678 56.100 0.046 0.000 0.960 78 R CB -0.226 30.073 30.300 -0.002 0.000 0.856 78 R HN 0.611 nan 8.270 nan 0.000 0.436 79 K N -0.712 119.714 120.400 0.044 0.000 2.097 79 K HA -0.076 4.244 4.320 -0.001 0.000 0.206 79 K C 2.036 178.651 176.600 0.024 0.000 1.049 79 K CA 1.884 58.187 56.287 0.026 0.000 0.933 79 K CB -0.138 32.355 32.500 -0.010 0.000 0.717 79 K HN 0.196 nan 8.250 nan 0.000 0.442 80 T N 1.024 115.590 114.554 0.020 0.000 2.708 80 T HA -0.195 4.155 4.350 -0.001 0.000 0.266 80 T C 1.249 175.988 174.700 0.064 0.000 1.037 80 T CA 1.086 63.187 62.100 0.002 0.000 1.146 80 T CB -0.292 68.561 68.868 -0.024 0.000 0.865 80 T HN 0.458 nan 8.240 nan 0.000 0.435 81 W N 2.455 123.727 121.300 -0.047 0.000 2.333 81 W HA -0.197 4.463 4.660 -0.000 0.000 0.316 81 W C 1.417 177.924 176.519 -0.020 0.000 1.215 81 W CA 1.617 58.949 57.345 -0.022 0.000 1.278 81 W CB -0.409 29.042 29.460 -0.015 0.000 1.154 81 W HN 0.251 nan 8.180 nan 0.000 0.486 82 D N 0.116 120.587 120.400 0.117 0.000 2.149 82 D HA -0.200 4.440 4.640 -0.001 0.000 0.198 82 D C 2.469 178.717 176.300 -0.087 0.000 0.990 82 D CA 2.342 56.344 54.000 0.003 0.000 0.839 82 D CB -0.658 40.177 40.800 0.058 0.000 0.948 82 D HN 0.233 nan 8.370 nan 0.000 0.460 83 S N -0.109 115.544 115.700 -0.079 0.000 2.423 83 S HA -0.083 4.387 4.470 -0.001 0.000 0.231 83 S C 1.063 175.585 174.600 -0.129 0.000 1.014 83 S CA 0.074 58.212 58.200 -0.102 0.000 0.965 83 S CB -0.404 62.733 63.200 -0.105 0.000 0.785 83 S HN 0.173 nan 8.310 nan 0.000 0.495 84 I N 3.436 123.902 120.570 -0.174 0.000 2.452 84 I HA 0.270 4.440 4.170 -0.001 0.000 0.287 84 I C -2.484 173.520 176.117 -0.189 0.000 1.079 84 I CA -2.440 58.753 61.300 -0.177 0.000 1.387 84 I CB 0.626 38.486 38.000 -0.233 0.000 1.404 84 I HN 0.042 nan 8.210 nan 0.000 0.522 85 P HA 0.052 nan 4.420 nan 0.000 0.264 85 P C -1.970 175.234 177.300 -0.159 0.000 1.193 85 P CA -0.949 62.094 63.100 -0.095 0.000 0.763 85 P CB 0.100 31.782 31.700 -0.031 0.000 0.810 86 P HA -0.248 nan 4.420 nan 0.000 0.219 86 P C 0.978 178.165 177.300 -0.188 0.000 1.153 86 P CA 2.059 65.050 63.100 -0.181 0.000 0.865 86 P CB -0.290 31.338 31.700 -0.120 0.000 0.788 87 K N -2.308 117.932 120.400 -0.266 0.000 2.551 87 K HA 0.032 4.351 4.320 -0.001 0.000 0.192 87 K C 0.433 176.739 176.600 -0.491 0.000 1.027 87 K CA 0.786 56.852 56.287 -0.369 0.000 1.059 87 K CB -0.479 31.750 32.500 -0.453 0.000 0.831 87 K HN 0.091 nan 8.250 nan 0.000 0.508 88 F N 1.398 121.278 119.950 -0.116 0.000 2.746 88 F HA 0.315 4.842 4.527 -0.000 0.000 0.320 88 F C -0.064 175.650 175.800 -0.144 0.000 1.097 88 F CA -0.867 57.068 58.000 -0.108 0.000 1.195 88 F CB 0.552 39.490 39.000 -0.103 0.000 1.056 88 F HN -0.163 nan 8.300 nan 0.000 0.562 89 R N 2.071 122.527 120.500 -0.074 0.000 2.349 89 R HA 0.398 4.737 4.340 -0.001 0.000 0.299 89 R C -2.435 173.890 176.300 0.042 0.000 1.027 89 R CA -1.536 54.452 56.100 -0.187 0.000 0.958 89 R CB 0.206 30.117 30.300 -0.648 0.000 1.047 89 R HN -0.097 nan 8.270 nan 0.000 0.468 90 P HA 0.170 nan 4.420 nan 0.000 0.281 90 P C -0.582 176.803 177.300 0.143 0.000 1.264 90 P CA -0.669 62.565 63.100 0.224 0.000 0.824 90 P CB 0.786 32.675 31.700 0.314 0.000 1.092 91 L N 1.909 123.223 121.223 0.151 0.000 2.500 91 L HA 0.171 4.510 4.340 -0.001 0.000 0.272 91 L C -1.919 174.996 176.870 0.076 0.000 1.149 91 L CA -1.649 53.252 54.840 0.101 0.000 0.897 91 L CB -0.626 41.503 42.059 0.117 0.000 1.178 91 L HN 0.202 nan 8.230 nan 0.000 0.473 92 P HA 0.029 nan 4.420 nan 0.000 0.266 92 P C 0.840 178.144 177.300 0.008 0.000 1.195 92 P CA 0.412 63.532 63.100 0.033 0.000 0.768 92 P CB 0.766 32.480 31.700 0.022 0.000 0.838 93 G N 1.454 110.261 108.800 0.013 0.000 2.166 93 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 93 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 93 G C 0.065 174.968 174.900 0.005 0.000 0.986 93 G CA -0.008 45.092 45.100 -0.000 0.000 0.683 93 G HN 0.609 nan 8.290 nan 0.000 0.527 94 R N -1.067 119.448 120.500 0.026 0.000 2.651 94 R HA 0.570 4.910 4.340 -0.001 0.000 0.278 94 R C -0.054 176.290 176.300 0.074 0.000 1.010 94 R CA -0.995 55.130 56.100 0.042 0.000 0.896 94 R CB 1.605 31.919 30.300 0.024 0.000 1.211 94 R HN 0.144 nan 8.270 nan 0.000 0.456 95 L N 2.892 124.163 121.223 0.080 0.000 2.462 95 L HA 0.161 4.500 4.340 -0.001 0.000 0.272 95 L C -0.557 176.366 176.870 0.087 0.000 1.166 95 L CA 0.385 55.278 54.840 0.089 0.000 0.880 95 L CB 0.329 42.446 42.059 0.097 0.000 1.142 95 L HN 0.644 nan 8.230 nan 0.000 0.473 96 N N 4.703 123.460 118.700 0.095 0.000 2.485 96 N HA 0.199 4.938 4.740 -0.001 0.000 0.243 96 N C -1.009 174.498 175.510 -0.005 0.000 0.987 96 N CA -0.480 52.634 53.050 0.107 0.000 0.940 96 N CB 1.793 40.422 38.487 0.236 0.000 1.122 96 N HN 0.292 nan 8.380 nan 0.000 0.509 97 V N 3.444 123.345 119.914 -0.021 0.000 2.333 97 V HA 0.240 4.360 4.120 -0.001 0.000 0.274 97 V C 0.293 176.317 176.094 -0.117 0.000 1.028 97 V CA -0.646 61.598 62.300 -0.093 0.000 0.851 97 V CB 1.259 33.021 31.823 -0.101 0.000 1.000 97 V HN 0.272 nan 8.190 nan 0.000 0.456 98 V N 6.596 126.386 119.914 -0.207 0.000 2.435 98 V HA 0.447 4.566 4.120 -0.001 0.000 0.290 98 V C -0.006 175.980 176.094 -0.180 0.000 1.030 98 V CA -0.617 61.542 62.300 -0.235 0.000 0.881 98 V CB 1.745 33.267 31.823 -0.501 0.000 0.983 98 V HN 0.641 nan 8.190 nan 0.000 0.445 99 L N 4.172 125.318 121.223 -0.127 0.000 2.265 99 L HA 0.697 5.037 4.340 -0.001 0.000 0.288 99 L C 0.191 177.006 176.870 -0.093 0.000 1.058 99 L CA 0.308 55.086 54.840 -0.103 0.000 0.809 99 L CB 1.232 43.240 42.059 -0.086 0.000 1.179 99 L HN 0.722 nan 8.230 nan 0.000 0.429 100 S N 0.315 115.962 115.700 -0.088 0.000 2.542 100 S HA 0.272 4.741 4.470 -0.001 0.000 0.276 100 S C 0.382 174.947 174.600 -0.058 0.000 1.148 100 S CA -0.161 57.995 58.200 -0.073 0.000 0.886 100 S CB 1.773 64.919 63.200 -0.090 0.000 1.109 100 S HN 0.685 nan 8.310 nan 0.000 0.458 101 S N 2.151 117.823 115.700 -0.047 0.000 2.486 101 S HA 0.028 4.498 4.470 -0.001 0.000 0.220 101 S C 1.501 176.080 174.600 -0.036 0.000 1.011 101 S CA 1.046 59.224 58.200 -0.036 0.000 0.921 101 S CB -0.561 62.621 63.200 -0.029 0.000 0.785 101 S HN 0.822 nan 8.310 nan 0.000 0.517 102 T N 1.746 116.269 114.554 -0.052 0.000 2.739 102 T HA 0.290 4.639 4.350 -0.001 0.000 0.249 102 T C 0.686 175.332 174.700 -0.091 0.000 1.050 102 T CA 0.018 62.072 62.100 -0.075 0.000 1.165 102 T CB -0.578 68.232 68.868 -0.097 0.000 0.872 102 T HN 0.156 nan 8.240 nan 0.000 0.411 103 L N 3.570 124.731 121.223 -0.103 0.000 2.380 103 L HA 0.393 4.733 4.340 -0.001 0.000 0.273 103 L C 1.004 177.889 176.870 0.025 0.000 1.138 103 L CA 0.175 54.968 54.840 -0.078 0.000 0.832 103 L CB 0.292 42.297 42.059 -0.090 0.000 1.124 103 L HN 0.615 nan 8.230 nan 0.000 0.454 104 T N -1.696 112.964 114.554 0.176 0.000 2.922 104 T HA 0.345 4.695 4.350 -0.001 0.000 0.281 104 T C 1.300 176.000 174.700 0.001 0.000 1.005 104 T CA -0.331 61.810 62.100 0.069 0.000 0.982 104 T CB 1.019 69.923 68.868 0.061 0.000 1.158 104 T HN 0.563 nan 8.240 nan 0.000 0.566 105 T N 0.814 115.341 114.554 -0.045 0.000 2.699 105 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 105 T C 1.724 176.394 174.700 -0.050 0.000 1.036 105 T CA 1.245 63.309 62.100 -0.061 0.000 1.147 105 T CB -0.316 68.526 68.868 -0.043 0.000 0.862 105 T HN 0.534 nan 8.240 nan 0.000 0.446 106 Q N -0.058 119.696 119.800 -0.078 0.000 2.466 106 Q HA 0.023 4.363 4.340 -0.001 0.000 0.210 106 Q C 1.265 177.167 176.000 -0.165 0.000 0.961 106 Q CA 0.544 56.273 55.803 -0.124 0.000 0.953 106 Q CB 0.018 28.656 28.738 -0.168 0.000 1.011 106 Q HN 0.639 nan 8.270 nan 0.000 0.516 107 H N -0.740 118.309 119.070 -0.036 0.000 2.430 107 H HA 0.151 4.707 4.556 -0.001 0.000 0.297 107 H C 2.032 177.361 175.328 0.001 0.000 1.016 107 H CA 0.355 56.390 56.048 -0.022 0.000 1.294 107 H CB 0.313 30.055 29.762 -0.032 0.000 1.465 107 H HN 0.106 nan 8.280 nan 0.000 0.547 108 L N 1.598 122.885 121.223 0.107 0.000 1.961 108 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 108 L C 1.306 178.298 176.870 0.204 0.000 1.072 108 L CA 0.748 55.652 54.840 0.106 0.000 0.749 108 L CB -0.771 41.171 42.059 -0.194 0.000 0.889 108 L HN 0.091 nan 8.230 nan 0.000 0.432 109 L N -0.791 120.513 121.223 0.135 0.000 2.483 109 L HA 0.186 4.526 4.340 -0.001 0.000 0.276 109 L C -0.066 176.838 176.870 0.057 0.000 1.213 109 L CA -0.754 54.154 54.840 0.112 0.000 0.843 109 L CB 0.177 42.282 42.059 0.076 0.000 1.107 109 L HN 0.378 nan 8.230 nan 0.000 0.487 110 D N 1.871 122.293 120.400 0.035 0.000 3.507 110 D HA -0.251 4.389 4.640 -0.001 0.000 0.195 110 D C 1.049 177.407 176.300 0.097 0.000 1.323 110 D CA 1.625 55.658 54.000 0.055 0.000 1.106 110 D CB -1.316 39.523 40.800 0.065 0.000 0.619 110 D HN 1.331 nan 8.370 nan 0.000 0.732 111 G N -0.221 108.640 108.800 0.102 0.000 2.826 111 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.235 111 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.235 111 G C 0.624 175.566 174.900 0.071 0.000 1.159 111 G CA 1.838 47.012 45.100 0.123 0.000 0.756 111 G HN 0.733 nan 8.290 nan 0.000 0.525 112 L N -0.644 120.620 121.223 0.069 0.000 2.376 112 L HA 0.570 4.910 4.340 -0.001 0.000 0.267 112 L C -0.691 176.184 176.870 0.008 0.000 1.035 112 L CA -1.919 52.939 54.840 0.030 0.000 0.800 112 L CB -0.181 41.913 42.059 0.058 0.000 1.290 112 L HN -0.116 nan 8.230 nan 0.000 0.462 113 P HA -0.140 nan 4.420 nan 0.000 0.212 113 P C 0.328 177.624 177.300 -0.007 0.000 1.178 113 P CA 1.356 64.440 63.100 -0.027 0.000 0.915 113 P CB 0.254 31.925 31.700 -0.049 0.000 0.788 114 D N -4.581 115.823 120.400 0.006 0.000 1.689 114 D HA 0.037 4.676 4.640 -0.001 0.000 0.643 114 D C 0.145 176.468 176.300 0.037 0.000 0.804 114 D CA 0.219 54.228 54.000 0.015 0.000 1.125 114 D CB 0.237 41.040 40.800 0.005 0.000 1.506 114 D HN 0.005 nan 8.370 nan 0.000 0.499 122 A N 2.430 125.319 122.820 0.116 0.000 2.309 122 A HA 0.246 4.565 4.320 -0.001 0.000 0.298 122 A C 0.774 178.447 177.584 0.149 0.000 1.165 122 A CA -0.098 51.983 52.037 0.074 0.000 0.821 122 A CB 0.357 19.412 19.000 0.091 0.000 1.102 122 A HN 0.749 nan 8.150 nan 0.000 0.500 123 D N 1.661 122.118 120.400 0.095 0.000 2.561 123 D HA 0.017 4.657 4.640 -0.001 0.000 0.232 123 D C -0.265 176.086 176.300 0.085 0.000 1.198 123 D CA 0.142 54.206 54.000 0.107 0.000 0.826 123 D CB -0.016 40.834 40.800 0.083 0.000 0.992 123 D HN 0.235 nan 8.370 nan 0.000 0.490 124 S N 0.490 116.246 115.700 0.093 0.000 2.582 124 S HA 0.298 4.768 4.470 -0.001 0.000 0.249 124 S C 0.454 175.114 174.600 0.100 0.000 1.072 124 S CA -0.386 57.870 58.200 0.094 0.000 1.115 124 S CB -0.201 63.054 63.200 0.093 0.000 0.790 124 S HN 0.335 nan 8.310 nan 0.000 0.459 125 I N 0.724 121.340 120.570 0.076 0.000 2.647 125 I HA 0.564 4.733 4.170 -0.001 0.000 0.295 125 I C -1.070 175.038 176.117 -0.016 0.000 1.078 125 I CA -0.996 60.312 61.300 0.013 0.000 1.048 125 I CB 2.399 40.398 38.000 -0.002 0.000 1.239 125 I HN -0.038 nan 8.210 nan 0.000 0.421 126 V N 5.119 124.989 119.914 -0.073 0.000 2.655 126 V HA 0.762 4.882 4.120 -0.001 0.000 0.301 126 V C -0.582 175.430 176.094 -0.137 0.000 1.082 126 V CA -0.217 62.042 62.300 -0.068 0.000 0.899 126 V CB 1.767 33.585 31.823 -0.009 0.000 1.014 126 V HN 0.853 nan 8.190 nan 0.000 0.429 127 A N 5.683 128.423 122.820 -0.134 0.000 2.340 127 A HA 0.802 5.122 4.320 -0.001 0.000 0.268 127 A C -0.611 176.909 177.584 -0.107 0.000 1.100 127 A CA -0.343 51.605 52.037 -0.148 0.000 0.803 127 A CB 1.327 20.250 19.000 -0.128 0.000 1.043 127 A HN 1.221 nan 8.150 nan 0.000 0.488 128 V N 3.124 122.971 119.914 -0.111 0.000 2.483 128 V HA 0.213 4.333 4.120 -0.001 0.000 0.297 128 V C -0.192 175.857 176.094 -0.076 0.000 1.027 128 V CA -0.790 61.455 62.300 -0.092 0.000 0.855 128 V CB 1.733 33.491 31.823 -0.109 0.000 0.995 128 V HN 0.909 nan 8.190 nan 0.000 0.424 129 N N 4.111 122.777 118.700 -0.057 0.000 2.968 129 N HA 0.524 5.264 4.740 -0.001 0.000 0.271 129 N C 0.063 175.548 175.510 -0.043 0.000 1.174 129 N CA 0.845 53.868 53.050 -0.045 0.000 1.096 129 N CB 0.588 39.056 38.487 -0.031 0.000 1.403 129 N HN 0.994 nan 8.380 nan 0.000 0.522 130 G N -0.986 107.783 108.800 -0.051 0.000 2.315 130 G HA2 0.394 4.354 3.960 -0.001 0.000 0.294 130 G HA3 0.394 4.354 3.960 -0.001 0.000 0.294 130 G C -0.225 174.641 174.900 -0.057 0.000 1.300 130 G CA -0.304 44.767 45.100 -0.047 0.000 0.843 130 G HN 0.429 nan 8.290 nan 0.000 0.527 131 G N -1.293 107.475 108.800 -0.054 0.000 2.582 131 G HA2 0.527 4.486 3.960 -0.001 0.000 0.232 131 G HA3 0.527 4.486 3.960 -0.001 0.000 0.232 131 G C 1.163 176.009 174.900 -0.090 0.000 1.458 131 G CA 0.289 45.352 45.100 -0.062 0.000 1.062 131 G HN 1.175 nan 8.290 nan 0.000 0.566 132 L N -0.472 120.689 121.223 -0.104 0.000 2.141 132 L HA 0.053 4.393 4.340 -0.001 0.000 0.209 132 L C 2.560 179.326 176.870 -0.175 0.000 1.094 132 L CA 2.266 57.004 54.840 -0.171 0.000 0.763 132 L CB -0.468 41.462 42.059 -0.214 0.000 0.908 132 L HN 0.792 nan 8.230 nan 0.000 0.437 133 E N -0.981 119.153 120.200 -0.110 0.000 2.031 133 E HA -0.299 4.051 4.350 -0.001 0.000 0.193 133 E C 2.091 178.640 176.600 -0.086 0.000 0.994 133 E CA 1.446 57.797 56.400 -0.083 0.000 0.800 133 E CB 0.005 29.682 29.700 -0.039 0.000 0.752 133 E HN 0.527 nan 8.360 nan 0.000 0.447 134 Q N 0.029 119.781 119.800 -0.079 0.000 2.170 134 Q HA -0.086 4.254 4.340 -0.001 0.000 0.203 134 Q C 1.830 177.767 176.000 -0.104 0.000 0.976 134 Q CA 1.609 57.367 55.803 -0.076 0.000 0.858 134 Q CB -0.311 28.388 28.738 -0.064 0.000 0.907 134 Q HN 0.374 nan 8.270 nan 0.000 0.433 135 A N -0.139 122.603 122.820 -0.130 0.000 1.929 135 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 135 A C 1.965 179.444 177.584 -0.175 0.000 1.176 135 A CA 0.922 52.861 52.037 -0.163 0.000 0.628 135 A CB -0.490 18.409 19.000 -0.168 0.000 0.816 135 A HN 0.342 nan 8.150 nan 0.000 0.444 136 L N -1.083 120.040 121.223 -0.166 0.000 2.109 136 L HA -0.185 4.155 4.340 -0.001 0.000 0.207 136 L C 2.818 179.629 176.870 -0.099 0.000 1.086 136 L CA 1.129 55.885 54.840 -0.139 0.000 0.760 136 L CB -0.535 41.438 42.059 -0.143 0.000 0.910 136 L HN 0.454 nan 8.230 nan 0.000 0.437 137 Q N -0.157 119.590 119.800 -0.088 0.000 2.002 137 Q HA -0.252 4.087 4.340 -0.001 0.000 0.204 137 Q C 2.336 178.297 176.000 -0.065 0.000 0.988 137 Q CA 1.551 57.317 55.803 -0.062 0.000 0.843 137 Q CB -0.260 28.449 28.738 -0.049 0.000 0.908 137 Q HN 0.383 nan 8.270 nan 0.000 0.420 138 L N 0.739 121.900 121.223 -0.104 0.000 2.043 138 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 138 L C 1.835 178.577 176.870 -0.214 0.000 1.075 138 L CA 1.696 56.449 54.840 -0.144 0.000 0.752 138 L CB -0.463 41.467 42.059 -0.216 0.000 0.891 138 L HN 0.355 nan 8.230 nan 0.000 0.432 139 L N -0.384 120.693 121.223 -0.243 0.000 2.610 139 L HA -0.012 4.327 4.340 -0.001 0.000 0.232 139 L C 2.140 179.002 176.870 -0.014 0.000 1.149 139 L CA 0.358 55.072 54.840 -0.209 0.000 0.872 139 L CB -0.426 41.520 42.059 -0.188 0.000 0.992 139 L HN 0.249 nan 8.230 nan 0.000 0.447 140 A N -1.420 121.399 122.820 -0.002 0.000 2.303 140 A HA 0.165 4.485 4.320 -0.001 0.000 0.217 140 A C 1.232 178.858 177.584 0.070 0.000 1.205 140 A CA -0.147 51.908 52.037 0.030 0.000 0.875 140 A CB 0.085 19.084 19.000 -0.002 0.000 0.910 140 A HN 0.249 nan 8.150 nan 0.000 0.501 141 S N 1.703 117.472 115.700 0.114 0.000 2.558 141 S HA 0.132 4.601 4.470 -0.001 0.000 0.287 141 S C -1.579 173.095 174.600 0.123 0.000 1.321 141 S CA -0.359 57.926 58.200 0.141 0.000 1.048 141 S CB 0.429 63.772 63.200 0.238 0.000 0.844 141 S HN 0.207 nan 8.310 nan 0.000 0.512 142 P HA -0.118 nan 4.420 nan 0.000 0.220 142 P C 0.755 178.065 177.300 0.016 0.000 1.144 142 P CA 1.136 64.264 63.100 0.047 0.000 0.800 142 P CB -0.020 31.702 31.700 0.037 0.000 0.772 143 N N -2.244 116.454 118.700 -0.003 0.000 2.188 143 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 143 N C 1.251 176.598 175.510 -0.272 0.000 1.018 143 N CA 0.912 53.859 53.050 -0.170 0.000 0.858 143 N CB -0.196 38.121 38.487 -0.284 0.000 0.989 143 N HN 0.253 nan 8.380 nan 0.000 0.426 144 Y N 0.016 120.320 120.300 0.005 0.000 2.522 144 Y HA 0.025 4.574 4.550 -0.001 0.000 0.277 144 Y C 2.748 178.651 175.900 0.005 0.000 1.104 144 Y CA 0.661 58.764 58.100 0.004 0.000 1.260 144 Y CB -0.293 38.167 38.460 -0.000 0.000 1.151 144 Y HN 0.082 nan 8.280 nan 0.000 0.539 145 T N -1.871 112.767 114.554 0.140 0.000 2.803 145 T HA -0.102 4.248 4.350 -0.001 0.000 0.269 145 T C -0.578 174.155 174.700 0.055 0.000 1.052 145 T CA 0.907 63.058 62.100 0.085 0.000 1.136 145 T CB -1.456 67.450 68.868 0.063 0.000 0.864 145 T HN 0.164 nan 8.240 nan 0.000 0.467 146 P HA -0.028 nan 4.420 nan 0.000 0.210 146 P C 2.196 179.513 177.300 0.028 0.000 1.191 146 P CA 1.607 64.721 63.100 0.024 0.000 0.917 146 P CB -0.351 31.353 31.700 0.006 0.000 0.778 147 S N -0.075 115.639 115.700 0.024 0.000 2.365 147 S HA -0.107 4.362 4.470 -0.001 0.000 0.225 147 S C 1.101 175.736 174.600 0.058 0.000 1.039 147 S CA 0.999 59.218 58.200 0.033 0.000 1.033 147 S CB -1.238 61.972 63.200 0.018 0.000 0.887 147 S HN -0.027 nan 8.310 nan 0.000 0.447 148 I N 2.738 123.362 120.570 0.090 0.000 2.322 148 I HA 0.307 4.476 4.170 -0.001 0.000 0.292 148 I C 1.379 177.525 176.117 0.047 0.000 1.060 148 I CA -0.398 60.952 61.300 0.083 0.000 1.309 148 I CB 0.621 38.689 38.000 0.113 0.000 1.415 148 I HN 0.411 nan 8.210 nan 0.000 0.492 149 E N 4.384 124.602 120.200 0.030 0.000 2.042 149 E HA -0.001 4.349 4.350 -0.001 0.000 0.189 149 E C -0.222 176.368 176.600 -0.017 0.000 0.974 149 E CA 0.933 57.340 56.400 0.011 0.000 0.806 149 E CB 0.538 30.244 29.700 0.010 0.000 0.769 149 E HN 0.631 nan 8.360 nan 0.000 0.451 150 T N 0.546 115.076 114.554 -0.041 0.000 2.900 150 T HA 0.479 4.829 4.350 -0.001 0.000 0.295 150 T C -1.026 173.541 174.700 -0.221 0.000 1.044 150 T CA -0.719 61.285 62.100 -0.160 0.000 0.995 150 T CB 2.330 71.062 68.868 -0.226 0.000 1.072 150 T HN -0.119 nan 8.240 nan 0.000 0.473 151 V N 2.877 122.621 119.914 -0.284 0.000 2.459 151 V HA 0.499 4.619 4.120 -0.001 0.000 0.295 151 V C -1.343 174.586 176.094 -0.275 0.000 1.029 151 V CA -0.803 61.401 62.300 -0.160 0.000 0.874 151 V CB 0.933 32.751 31.823 -0.009 0.000 0.985 151 V HN 0.809 nan 8.190 nan 0.000 0.438 152 Y N 2.442 122.819 120.300 0.129 0.000 2.393 152 Y HA 0.458 5.008 4.550 -0.000 0.000 0.341 152 Y C 0.316 176.333 175.900 0.196 0.000 0.988 152 Y CA -0.594 57.612 58.100 0.176 0.000 1.078 152 Y CB 1.738 40.244 38.460 0.078 0.000 1.203 152 Y HN 0.635 nan 8.280 nan 0.000 0.453 153 C N 6.933 126.511 119.300 0.464 0.000 2.200 153 C HA 0.407 4.867 4.460 -0.001 0.000 0.328 153 C C 1.410 176.628 174.990 0.380 0.000 1.148 153 C CA -0.687 58.537 59.018 0.343 0.000 1.624 153 C CB -2.187 25.799 27.740 0.409 0.000 2.167 153 C HN 0.931 nan 8.230 nan 0.000 0.484 154 I N 4.382 125.115 120.570 0.271 0.000 3.883 154 I HA 0.453 4.623 4.170 -0.001 0.000 0.326 154 I C 1.137 177.263 176.117 0.015 0.000 1.283 154 I CA 0.694 62.172 61.300 0.295 0.000 1.161 154 I CB -0.406 37.837 38.000 0.405 0.000 1.012 154 I HN 0.810 nan 8.210 nan 0.000 0.421 155 G N 1.580 110.239 108.800 -0.234 0.000 2.520 155 G HA2 0.179 4.139 3.960 -0.001 0.000 0.248 155 G HA3 0.179 4.139 3.960 -0.001 0.000 0.248 155 G C 0.367 174.917 174.900 -0.584 0.000 1.161 155 G CA -0.058 44.498 45.100 -0.907 0.000 0.946 155 G HN 1.768 nan 8.290 nan 0.000 0.565 156 G N -1.959 106.442 108.800 -0.665 0.000 2.784 156 G HA2 0.460 4.420 3.960 -0.001 0.000 0.686 156 G HA3 0.460 4.420 3.960 -0.001 0.000 0.686 156 G C 1.349 176.056 174.900 -0.321 0.000 1.156 156 G CA 0.694 45.594 45.100 -0.333 0.000 0.757 156 G HN 2.322 nan 8.290 nan 0.000 0.642 157 G N 0.684 109.455 108.800 -0.048 0.000 2.469 157 G HA2 0.004 3.964 3.960 -0.001 0.000 0.219 157 G HA3 0.004 3.964 3.960 -0.001 0.000 0.219 157 G C 2.331 177.304 174.900 0.122 0.000 1.150 157 G CA 2.430 47.612 45.100 0.137 0.000 0.763 157 G HN 2.187 nan 8.290 nan 0.000 0.561 158 S N -0.098 115.623 115.700 0.034 0.000 2.406 158 S HA -0.020 4.449 4.470 -0.001 0.000 0.228 158 S C 2.252 176.868 174.600 0.027 0.000 1.020 158 S CA 1.323 59.545 58.200 0.038 0.000 0.965 158 S CB -0.201 63.005 63.200 0.009 0.000 0.798 158 S HN 0.122 nan 8.310 nan 0.000 0.488 159 V N 0.501 120.386 119.914 -0.048 0.000 2.407 159 V HA -0.053 4.067 4.120 -0.001 0.000 0.245 159 V C 2.335 178.464 176.094 0.059 0.000 1.041 159 V CA 1.377 63.637 62.300 -0.066 0.000 1.040 159 V CB -1.095 30.619 31.823 -0.182 0.000 0.671 159 V HN 0.401 nan 8.190 nan 0.000 0.455 160 Y N 1.165 121.537 120.300 0.120 0.000 2.128 160 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 160 Y C 2.623 178.675 175.900 0.252 0.000 1.154 160 Y CA 0.974 59.203 58.100 0.215 0.000 1.149 160 Y CB -1.446 37.166 38.460 0.253 0.000 0.976 160 Y HN 0.190 nan 8.280 nan 0.000 0.505 161 A N -0.046 122.984 122.820 0.351 0.000 1.873 161 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 161 A C 2.280 179.969 177.584 0.174 0.000 1.193 161 A CA 2.076 54.248 52.037 0.225 0.000 0.629 161 A CB -0.879 18.218 19.000 0.161 0.000 0.826 161 A HN 0.533 nan 8.150 nan 0.000 0.447 162 E N -0.404 119.880 120.200 0.141 0.000 2.110 162 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 162 E C 2.115 178.800 176.600 0.142 0.000 0.988 162 E CA 0.881 57.342 56.400 0.101 0.000 0.804 162 E CB -0.228 29.500 29.700 0.047 0.000 0.745 162 E HN 0.558 nan 8.360 nan 0.000 0.458 163 A N 0.779 123.729 122.820 0.216 0.000 2.019 163 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 163 A C 1.939 179.736 177.584 0.355 0.000 1.164 163 A CA 0.757 53.007 52.037 0.356 0.000 0.644 163 A CB -0.159 19.143 19.000 0.503 0.000 0.805 163 A HN 0.277 nan 8.150 nan 0.000 0.449 164 L N -0.637 120.745 121.223 0.264 0.000 2.592 164 L HA 0.132 4.472 4.340 -0.001 0.000 0.227 164 L C 1.075 178.018 176.870 0.121 0.000 1.127 164 L CA 0.693 55.647 54.840 0.190 0.000 0.884 164 L CB -0.923 41.213 42.059 0.129 0.000 1.065 164 L HN 0.616 nan 8.230 nan 0.000 0.457 165 R N -0.809 119.753 120.500 0.103 0.000 2.892 165 R HA 0.613 4.953 4.340 -0.001 0.000 0.265 165 R C -2.778 173.530 176.300 0.014 0.000 1.025 165 R CA -2.036 54.094 56.100 0.050 0.000 0.982 165 R CB 0.288 30.622 30.300 0.057 0.000 1.185 165 R HN -0.233 nan 8.270 nan 0.000 0.484 166 P HA 0.097 nan 4.420 nan 0.000 0.271 166 P C -1.834 175.502 177.300 0.060 0.000 1.216 166 P CA -1.090 62.010 63.100 -0.000 0.000 0.776 166 P CB 0.465 32.215 31.700 0.083 0.000 0.881 167 P HA 0.051 nan 4.420 nan 0.000 0.235 167 P C 0.701 178.077 177.300 0.127 0.000 1.177 167 P CA 0.500 63.681 63.100 0.135 0.000 0.785 167 P CB -0.045 31.723 31.700 0.113 0.000 0.885 168 C N -0.125 119.240 119.300 0.107 0.000 2.429 168 C HA -0.085 4.375 4.460 -0.001 0.000 0.277 168 C C 2.793 177.953 174.990 0.283 0.000 1.262 168 C CA 0.751 59.887 59.018 0.197 0.000 1.733 168 C CB -1.569 26.265 27.740 0.156 0.000 2.010 168 C HN 0.126 nan 8.230 nan 0.000 0.483 169 V N 0.768 120.754 119.914 0.121 0.000 2.546 169 V HA -0.228 3.891 4.120 -0.001 0.000 0.254 169 V C 2.226 178.327 176.094 0.012 0.000 1.076 169 V CA 2.027 64.373 62.300 0.077 0.000 1.087 169 V CB -0.781 31.031 31.823 -0.019 0.000 0.674 169 V HN 0.638 nan 8.190 nan 0.000 0.470 170 H N -1.124 118.044 119.070 0.164 0.000 2.555 170 H HA 0.152 4.708 4.556 -0.001 0.000 0.269 170 H C 1.560 176.960 175.328 0.120 0.000 0.988 170 H CA 0.582 56.700 56.048 0.117 0.000 1.178 170 H CB 0.318 30.153 29.762 0.121 0.000 1.373 170 H HN 0.330 nan 8.280 nan 0.000 0.588 171 L N 0.672 122.031 121.223 0.227 0.000 2.640 171 L HA 0.086 4.425 4.340 -0.001 0.000 0.230 171 L C 0.396 177.190 176.870 -0.127 0.000 1.123 171 L CA -0.075 54.868 54.840 0.171 0.000 0.900 171 L CB -0.278 41.968 42.059 0.312 0.000 1.146 171 L HN 0.089 nan 8.230 nan 0.000 0.484 172 L N 1.759 122.832 121.223 -0.250 0.000 2.433 172 L HA 0.048 4.387 4.340 -0.001 0.000 0.284 172 L C 1.599 178.370 176.870 -0.165 0.000 1.120 172 L CA 0.573 55.119 54.840 -0.490 0.000 0.879 172 L CB 0.794 42.768 42.059 -0.142 0.000 1.232 172 L HN 0.342 nan 8.230 nan 0.000 0.454 173 Q N 4.481 124.169 119.800 -0.188 0.000 2.269 173 Q HA 0.296 4.636 4.340 -0.001 0.000 0.201 173 Q C 0.247 176.249 176.000 0.003 0.000 0.946 173 Q CA 0.767 56.530 55.803 -0.066 0.000 0.877 173 Q CB 0.236 28.945 28.738 -0.048 0.000 0.963 173 Q HN 0.645 nan 8.270 nan 0.000 0.472 174 A N 0.316 123.157 122.820 0.035 0.000 2.601 174 A HA 0.674 4.994 4.320 -0.001 0.000 0.291 174 A C -1.712 175.875 177.584 0.005 0.000 1.075 174 A CA -0.864 51.190 52.037 0.030 0.000 0.671 174 A CB 1.215 20.135 19.000 -0.134 0.000 1.277 174 A HN 0.238 nan 8.150 nan 0.000 0.417 175 I N 0.771 121.270 120.570 -0.119 0.000 2.478 175 I HA 0.335 4.505 4.170 -0.001 0.000 0.287 175 I C -1.660 174.340 176.117 -0.195 0.000 1.042 175 I CA -0.266 60.976 61.300 -0.096 0.000 1.067 175 I CB 1.797 39.709 38.000 -0.146 0.000 1.233 175 I HN 0.623 nan 8.210 nan 0.000 0.431 176 Y N 5.666 126.076 120.300 0.184 0.000 2.595 176 Y HA 0.444 4.994 4.550 -0.001 0.000 0.336 176 Y C 0.322 176.363 175.900 0.235 0.000 0.996 176 Y CA -0.481 57.784 58.100 0.276 0.000 1.260 176 Y CB 0.778 39.457 38.460 0.366 0.000 1.108 176 Y HN 0.423 nan 8.280 nan 0.000 0.509 177 R N 1.582 122.232 120.500 0.250 0.000 2.346 177 R HA 0.514 4.854 4.340 -0.001 0.000 0.311 177 R C -0.891 175.475 176.300 0.110 0.000 0.983 177 R CA -0.384 55.799 56.100 0.139 0.000 0.880 177 R CB 0.903 31.249 30.300 0.078 0.000 1.100 177 R HN 0.487 nan 8.270 nan 0.000 0.453 178 T N 3.043 117.632 114.554 0.058 0.000 2.758 178 T HA 0.218 4.568 4.350 -0.001 0.000 0.285 178 T C -0.515 174.025 174.700 -0.267 0.000 0.981 178 T CA -0.328 61.718 62.100 -0.090 0.000 0.965 178 T CB 1.520 70.406 68.868 0.030 0.000 0.927 178 T HN 0.450 nan 8.240 nan 0.000 0.448 179 T N 4.306 118.532 114.554 -0.545 0.000 2.733 179 T HA 0.452 4.802 4.350 -0.001 0.000 0.294 179 T C 0.141 174.447 174.700 -0.656 0.000 0.956 179 T CA -0.433 61.271 62.100 -0.661 0.000 0.987 179 T CB 0.121 68.383 68.868 -1.011 0.000 0.920 179 T HN 0.328 nan 8.240 nan 0.000 0.470 180 I N 3.741 123.943 120.570 -0.612 0.000 2.315 180 I HA 0.259 4.429 4.170 -0.001 0.000 0.291 180 I C 1.178 177.020 176.117 -0.458 0.000 1.006 180 I CA -0.309 60.620 61.300 -0.618 0.000 1.265 180 I CB 0.914 38.254 38.000 -1.099 0.000 1.387 180 I HN 0.368 nan 8.210 nan 0.000 0.475 181 R N 5.899 126.231 120.500 -0.280 0.000 4.792 181 R HA 0.460 4.800 4.340 -0.001 0.000 0.205 181 R C -0.242 175.978 176.300 -0.132 0.000 1.875 181 R CA -0.203 55.801 56.100 -0.161 0.000 1.588 181 R CB -0.377 29.881 30.300 -0.070 0.000 1.401 181 R HN 0.616 nan 8.270 nan 0.000 0.834 182 A N 1.019 123.731 122.820 -0.180 0.000 2.337 182 A HA 0.492 4.812 4.320 -0.001 0.000 0.331 182 A C 0.048 177.596 177.584 -0.060 0.000 1.137 182 A CA -0.646 51.334 52.037 -0.095 0.000 0.807 182 A CB 1.367 20.323 19.000 -0.072 0.000 1.250 182 A HN 0.332 nan 8.150 nan 0.000 0.468 183 S N 0.891 116.587 115.700 -0.006 0.000 2.474 183 S HA 0.593 5.063 4.470 -0.001 0.000 0.321 183 S C -0.792 173.842 174.600 0.056 0.000 1.080 183 S CA -0.492 57.724 58.200 0.027 0.000 1.106 183 S CB 1.232 64.448 63.200 0.026 0.000 0.984 183 S HN 0.712 nan 8.310 nan 0.000 0.464 184 E N 2.524 122.776 120.200 0.087 0.000 2.191 184 E HA 0.534 4.884 4.350 -0.001 0.000 0.263 184 E C 0.348 177.003 176.600 0.091 0.000 0.881 184 E CA -0.621 55.837 56.400 0.097 0.000 0.757 184 E CB 1.554 31.339 29.700 0.143 0.000 1.147 184 E HN 0.481 nan 8.360 nan 0.000 0.414 185 S N 2.056 117.799 115.700 0.072 0.000 2.368 185 S HA -0.179 4.291 4.470 -0.001 0.000 0.225 185 S C 1.660 176.301 174.600 0.068 0.000 1.030 185 S CA 1.511 59.756 58.200 0.074 0.000 0.999 185 S CB -0.254 62.979 63.200 0.055 0.000 0.844 185 S HN 0.712 nan 8.310 nan 0.000 0.459 186 S N 0.129 115.853 115.700 0.040 0.000 2.474 186 S HA -0.026 4.444 4.470 -0.001 0.000 0.235 186 S C 0.870 175.458 174.600 -0.020 0.000 0.997 186 S CA 0.095 58.302 58.200 0.013 0.000 0.949 186 S CB -1.017 62.180 63.200 -0.005 0.000 0.766 186 S HN 0.427 nan 8.310 nan 0.000 0.517 187 C N 3.707 122.983 119.300 -0.040 0.000 2.592 187 C HA 0.317 4.777 4.460 -0.001 0.000 0.408 187 C C 1.940 176.780 174.990 -0.251 0.000 1.436 187 C CA 0.383 59.290 59.018 -0.186 0.000 1.595 187 C CB -0.699 26.899 27.740 -0.236 0.000 2.487 187 C HN 0.761 nan 8.230 nan 0.000 0.610 188 S N 1.905 117.459 115.700 -0.244 0.000 2.540 188 S HA 0.208 4.678 4.470 -0.001 0.000 0.222 188 S C -0.050 174.486 174.600 -0.107 0.000 1.008 188 S CA -0.132 58.025 58.200 -0.072 0.000 0.939 188 S CB 0.038 63.241 63.200 0.005 0.000 0.865 188 S HN 0.484 nan 8.310 nan 0.000 0.499 189 V N 2.190 121.894 119.914 -0.351 0.000 2.555 189 V HA 0.661 4.780 4.120 -0.001 0.000 0.302 189 V C -1.095 174.769 176.094 -0.383 0.000 1.038 189 V CA -0.748 61.452 62.300 -0.167 0.000 0.887 189 V CB 1.079 32.869 31.823 -0.054 0.000 0.991 189 V HN 0.352 nan 8.190 nan 0.000 0.434 190 F N 3.252 123.285 119.950 0.139 0.000 2.593 190 F HA 0.739 5.266 4.527 -0.001 0.000 0.320 190 F C -0.713 175.226 175.800 0.232 0.000 1.060 190 F CA -0.848 57.244 58.000 0.154 0.000 0.940 190 F CB 2.243 41.295 39.000 0.087 0.000 1.268 190 F HN 0.439 nan 8.300 nan 0.000 0.475 191 F N 2.901 122.985 119.950 0.223 0.000 2.617 191 F HA 0.579 5.105 4.527 -0.001 0.000 0.325 191 F C -1.218 174.603 175.800 0.035 0.000 1.179 191 F CA -0.619 57.429 58.000 0.079 0.000 0.965 191 F CB 0.871 39.836 39.000 -0.058 0.000 1.232 191 F HN 0.262 nan 8.300 nan 0.000 0.461 192 R N 5.389 125.524 120.500 -0.608 0.000 2.393 192 R HA 0.479 4.818 4.340 -0.001 0.000 0.315 192 R C -1.320 174.499 176.300 -0.802 0.000 0.952 192 R CA -0.985 54.809 56.100 -0.509 0.000 0.842 192 R CB 2.003 32.153 30.300 -0.251 0.000 1.163 192 R HN 0.454 nan 8.270 nan 0.000 0.450 193 V N 5.808 125.334 119.914 -0.647 0.000 2.439 193 V HA 0.128 4.248 4.120 -0.001 0.000 0.271 193 V C -1.757 174.129 176.094 -0.348 0.000 1.040 193 V CA -1.295 60.666 62.300 -0.564 0.000 1.002 193 V CB 0.601 32.165 31.823 -0.431 0.000 1.000 193 V HN 0.531 nan 8.190 nan 0.000 0.477 194 P HA 0.204 nan 4.420 nan 0.000 0.268 194 P C -0.217 177.087 177.300 0.006 0.000 1.204 194 P CA -0.180 62.861 63.100 -0.099 0.000 0.768 194 P CB 0.575 32.265 31.700 -0.016 0.000 0.842 195 E N 0.655 120.870 120.200 0.025 0.000 2.331 195 E HA 0.192 4.542 4.350 -0.001 0.000 0.272 195 E C 0.190 176.855 176.600 0.108 0.000 1.036 195 E CA -0.454 55.987 56.400 0.068 0.000 0.864 195 E CB 0.564 30.282 29.700 0.030 0.000 1.035 195 E HN 0.336 nan 8.360 nan 0.000 0.408 196 S N 1.940 117.718 115.700 0.129 0.000 2.593 196 S HA 0.115 4.585 4.470 -0.001 0.000 0.300 196 S C 1.166 175.800 174.600 0.055 0.000 1.267 196 S CA 1.050 59.307 58.200 0.095 0.000 1.065 196 S CB -0.217 63.025 63.200 0.070 0.000 0.807 196 S HN 0.815 nan 8.310 nan 0.000 0.499 197 G N 3.097 111.924 108.800 0.045 0.000 2.258 197 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.233 197 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.233 197 G C 0.397 175.316 174.900 0.031 0.000 1.006 197 G CA 0.635 45.752 45.100 0.030 0.000 0.620 197 G HN 1.576 nan 8.290 nan 0.000 0.511 198 T N -1.468 113.109 114.554 0.038 0.000 2.816 198 T HA 0.624 4.974 4.350 -0.001 0.000 0.282 198 T C 1.127 175.849 174.700 0.036 0.000 0.993 198 T CA 0.654 62.772 62.100 0.030 0.000 0.994 198 T CB 1.727 70.609 68.868 0.022 0.000 1.025 198 T HN 0.261 nan 8.240 nan 0.000 0.529 199 E N 0.574 120.790 120.200 0.027 0.000 2.047 199 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 199 E C 2.459 179.082 176.600 0.038 0.000 0.987 199 E CA 1.028 57.446 56.400 0.030 0.000 0.799 199 E CB -0.445 29.267 29.700 0.021 0.000 0.752 199 E HN 0.806 nan 8.360 nan 0.000 0.449 200 A N 1.221 124.058 122.820 0.028 0.000 2.131 200 A HA -0.092 4.228 4.320 -0.001 0.000 0.220 200 A C 2.254 179.875 177.584 0.061 0.000 1.158 200 A CA 1.419 53.473 52.037 0.027 0.000 0.665 200 A CB -0.461 18.536 19.000 -0.005 0.000 0.795 200 A HN 0.284 nan 8.150 nan 0.000 0.460 201 A N -1.117 121.755 122.820 0.087 0.000 2.066 201 A HA 0.370 4.689 4.320 -0.001 0.000 0.218 201 A C 1.716 179.382 177.584 0.137 0.000 1.157 201 A CA 1.293 53.425 52.037 0.159 0.000 0.670 201 A CB -0.860 18.235 19.000 0.157 0.000 0.804 201 A HN 2.011 nan 8.150 nan 0.000 0.453 202 A N -2.278 120.598 122.820 0.094 0.000 2.745 202 A HA 0.164 4.484 4.320 -0.001 0.000 0.296 202 A C 1.883 179.531 177.584 0.106 0.000 1.500 202 A CA 1.420 53.513 52.037 0.093 0.000 0.766 202 A CB -2.033 17.020 19.000 0.089 0.000 1.030 202 A HN 2.540 nan 8.150 nan 0.000 0.489 203 G N -2.611 106.234 108.800 0.074 0.000 2.143 203 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.249 203 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.249 203 G C -0.047 174.861 174.900 0.014 0.000 0.981 203 G CA 0.320 45.449 45.100 0.049 0.000 0.665 203 G HN 1.351 nan 8.290 nan 0.000 0.528 204 I N 0.711 121.279 120.570 -0.004 0.000 2.385 204 I HA 0.389 4.558 4.170 -0.001 0.000 0.294 204 I C 0.357 176.354 176.117 -0.201 0.000 0.988 204 I CA -0.769 60.428 61.300 -0.171 0.000 1.265 204 I CB 1.372 39.199 38.000 -0.288 0.000 1.388 204 I HN 0.131 nan 8.210 nan 0.000 0.480 205 E N 5.314 125.344 120.200 -0.284 0.000 2.063 205 E HA 0.210 4.560 4.350 -0.001 0.000 0.265 205 E C -1.346 175.111 176.600 -0.239 0.000 0.919 205 E CA -0.367 55.931 56.400 -0.171 0.000 0.756 205 E CB 0.788 30.427 29.700 -0.101 0.000 1.120 205 E HN 0.366 nan 8.360 nan 0.000 0.414 206 W N 2.587 123.883 121.300 -0.007 0.000 2.287 206 W HA 0.181 4.841 4.660 -0.001 0.000 0.313 206 W C 0.592 177.107 176.519 -0.008 0.000 1.267 206 W CA -0.278 57.061 57.345 -0.009 0.000 1.201 206 W CB 0.801 30.256 29.460 -0.009 0.000 1.196 206 W HN 0.234 nan 8.180 nan 0.000 0.536 207 Q N 2.310 122.247 119.800 0.228 0.000 2.394 207 Q HA 0.337 4.677 4.340 -0.001 0.000 0.273 207 Q C -0.627 175.455 176.000 0.136 0.000 1.089 207 Q CA -1.456 54.426 55.803 0.133 0.000 0.812 207 Q CB 2.772 31.545 28.738 0.059 0.000 1.353 207 Q HN 0.430 nan 8.270 nan 0.000 0.438 208 R N 1.959 122.516 120.500 0.096 0.000 2.242 208 R HA 0.021 4.361 4.340 -0.001 0.000 0.334 208 R C 0.831 177.173 176.300 0.069 0.000 1.071 208 R CA 0.300 56.449 56.100 0.081 0.000 0.922 208 R CB 0.473 30.810 30.300 0.062 0.000 1.023 208 R HN 0.773 nan 8.270 nan 0.000 0.458 209 E N 2.381 122.624 120.200 0.073 0.000 2.051 209 E HA -0.063 4.286 4.350 -0.001 0.000 0.189 209 E C -0.147 176.497 176.600 0.073 0.000 0.979 209 E CA 1.246 57.687 56.400 0.069 0.000 0.803 209 E CB 0.364 30.105 29.700 0.069 0.000 0.761 209 E HN 0.720 nan 8.360 nan 0.000 0.451 210 T N -1.721 112.884 114.554 0.085 0.000 2.883 210 T HA 0.605 4.955 4.350 -0.001 0.000 0.301 210 T C -0.684 174.075 174.700 0.099 0.000 1.158 210 T CA -0.920 61.236 62.100 0.093 0.000 1.007 210 T CB 1.913 70.853 68.868 0.120 0.000 1.186 210 T HN 0.123 nan 8.240 nan 0.000 0.499 211 I N 2.014 122.634 120.570 0.083 0.000 2.644 211 I HA 0.525 4.695 4.170 -0.001 0.000 0.291 211 I C 0.007 176.164 176.117 0.067 0.000 1.180 211 I CA -0.572 60.776 61.300 0.079 0.000 1.040 211 I CB 2.172 40.178 38.000 0.010 0.000 1.255 211 I HN 1.091 nan 8.210 nan 0.000 0.422 212 S N 5.181 120.948 115.700 0.112 0.000 2.614 212 S HA 0.308 4.778 4.470 -0.001 0.000 0.265 212 S C -0.004 174.584 174.600 -0.019 0.000 1.303 212 S CA -0.529 57.724 58.200 0.089 0.000 1.000 212 S CB 0.876 64.188 63.200 0.186 0.000 0.935 212 S HN 0.715 nan 8.310 nan 0.000 0.551 213 E N 0.373 120.552 120.200 -0.036 0.000 2.409 213 E HA 0.132 4.482 4.350 -0.001 0.000 0.257 213 E C -0.181 176.335 176.600 -0.140 0.000 1.150 213 E CA -0.663 55.682 56.400 -0.091 0.000 0.942 213 E CB 0.278 29.939 29.700 -0.065 0.000 0.979 213 E HN 0.767 nan 8.360 nan 0.000 0.447 214 E N 1.411 121.511 120.200 -0.168 0.000 2.366 214 E HA 0.089 4.439 4.350 -0.001 0.000 0.266 214 E C -0.963 175.491 176.600 -0.243 0.000 1.015 214 E CA -0.122 56.169 56.400 -0.182 0.000 0.906 214 E CB 0.419 30.035 29.700 -0.139 0.000 0.979 214 E HN 0.349 nan 8.360 nan 0.000 0.443 215 L N 3.189 124.133 121.223 -0.466 0.000 2.322 215 L HA 0.469 4.809 4.340 -0.001 0.000 0.269 215 L C -0.041 176.566 176.870 -0.439 0.000 1.012 215 L CA -0.848 53.664 54.840 -0.546 0.000 0.815 215 L CB 2.216 43.735 42.059 -0.900 0.000 1.295 215 L HN 0.484 nan 8.230 nan 0.000 0.438 216 T N 0.041 114.514 114.554 -0.134 0.000 2.823 216 T HA 0.292 4.641 4.350 -0.001 0.000 0.279 216 T C -0.241 174.616 174.700 0.262 0.000 0.998 216 T CA -0.431 61.703 62.100 0.058 0.000 0.994 216 T CB 1.713 70.598 68.868 0.028 0.000 0.960 216 T HN 0.535 nan 8.240 nan 0.000 0.448 217 S N 1.107 116.984 115.700 0.295 0.000 2.601 217 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 217 S C 0.863 175.517 174.600 0.090 0.000 1.305 217 S CA -0.600 57.709 58.200 0.180 0.000 1.022 217 S CB 0.458 63.660 63.200 0.002 0.000 0.940 217 S HN 0.823 nan 8.310 nan 0.000 0.525 218 A N 3.266 126.123 122.820 0.062 0.000 2.640 218 A HA 0.204 4.524 4.320 -0.001 0.000 0.282 218 A C 1.016 178.616 177.584 0.025 0.000 1.357 218 A CA -0.250 51.813 52.037 0.044 0.000 0.946 218 A CB -0.855 18.173 19.000 0.047 0.000 1.065 218 A HN 0.877 nan 8.150 nan 0.000 0.541 219 N N -0.367 118.344 118.700 0.017 0.000 2.521 219 N HA 0.150 4.890 4.740 -0.001 0.000 0.188 219 N C 0.996 176.516 175.510 0.016 0.000 1.146 219 N CA 0.800 53.857 53.050 0.012 0.000 0.893 219 N CB -0.341 38.151 38.487 0.008 0.000 0.975 219 N HN 0.723 nan 8.380 nan 0.000 0.451 220 G N -0.084 108.727 108.800 0.020 0.000 2.182 220 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.248 220 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.248 220 G C 0.135 175.045 174.900 0.017 0.000 1.042 220 G CA 0.210 45.321 45.100 0.018 0.000 0.775 220 G HN 0.488 nan 8.290 nan 0.000 0.501 221 N N 0.513 119.225 118.700 0.019 0.000 2.143 221 N HA 0.118 4.858 4.740 -0.001 0.000 0.229 221 N C 0.650 176.170 175.510 0.017 0.000 1.294 221 N CA 0.445 53.505 53.050 0.017 0.000 0.883 221 N CB 0.358 38.857 38.487 0.019 0.000 1.148 221 N HN 0.522 nan 8.380 nan 0.000 0.511 222 E N -0.206 120.007 120.200 0.022 0.000 2.539 222 E HA -0.164 4.186 4.350 -0.001 0.000 0.253 222 E C -0.670 175.945 176.600 0.026 0.000 1.145 222 E CA 0.691 57.105 56.400 0.024 0.000 0.738 222 E CB -2.771 26.937 29.700 0.014 0.000 1.308 222 E HN 0.187 nan 8.360 nan 0.000 0.409 223 T N 2.342 116.913 114.554 0.029 0.000 2.793 223 T HA 0.090 4.439 4.350 -0.001 0.000 0.289 223 T C 0.697 175.436 174.700 0.065 0.000 0.956 223 T CA -0.000 62.111 62.100 0.019 0.000 1.177 223 T CB 0.696 69.559 68.868 -0.008 0.000 0.897 223 T HN -0.012 nan 8.240 nan 0.000 0.533 224 K N 3.354 123.768 120.400 0.023 0.000 2.237 224 K HA 0.398 4.717 4.320 -0.001 0.000 0.270 224 K C -0.216 176.400 176.600 0.028 0.000 1.015 224 K CA -0.377 55.919 56.287 0.014 0.000 0.949 224 K CB 0.792 33.280 32.500 -0.021 0.000 0.976 224 K HN 0.804 nan 8.250 nan 0.000 0.472 225 Y N -0.671 119.517 120.300 -0.187 0.000 2.656 225 Y HA 0.621 5.171 4.550 0.000 0.000 0.334 225 Y C -1.446 174.265 175.900 -0.314 0.000 1.179 225 Y CA -1.702 56.184 58.100 -0.357 0.000 1.050 225 Y CB 1.041 39.236 38.460 -0.442 0.000 1.308 225 Y HN 0.610 nan 8.280 nan 0.000 0.456 226 Y N -0.631 119.377 120.300 -0.486 0.000 2.592 226 Y HA 0.794 5.344 4.550 -0.000 0.000 0.334 226 Y C -2.344 173.216 175.900 -0.567 0.000 1.136 226 Y CA -2.492 55.249 58.100 -0.600 0.000 1.042 226 Y CB 0.994 39.249 38.460 -0.341 0.000 1.325 226 Y HN 0.537 nan 8.280 nan 0.000 0.457 227 F N 1.581 121.542 119.950 0.018 0.000 2.422 227 F HA 0.629 5.156 4.527 -0.001 0.000 0.333 227 F C -0.086 175.756 175.800 0.070 0.000 1.095 227 F CA -0.780 57.151 58.000 -0.114 0.000 1.038 227 F CB 1.831 40.610 39.000 -0.368 0.000 1.156 227 F HN 0.624 nan 8.300 nan 0.000 0.483 228 E N 1.018 121.376 120.200 0.263 0.000 2.331 228 E HA 0.394 4.743 4.350 -0.001 0.000 0.275 228 E C -1.647 175.063 176.600 0.183 0.000 0.895 228 E CA -1.300 55.230 56.400 0.216 0.000 0.753 228 E CB 2.755 32.571 29.700 0.193 0.000 1.216 228 E HN 0.493 nan 8.360 nan 0.000 0.434 229 K N 3.585 124.065 120.400 0.135 0.000 2.265 229 K HA 0.396 4.716 4.320 -0.001 0.000 0.267 229 K C -1.228 175.375 176.600 0.005 0.000 0.994 229 K CA -0.606 55.685 56.287 0.008 0.000 0.860 229 K CB 0.829 33.338 32.500 0.015 0.000 1.099 229 K HN 0.564 nan 8.250 nan 0.000 0.448 230 L N 6.823 128.032 121.223 -0.023 0.000 2.333 230 L HA 0.549 4.889 4.340 -0.001 0.000 0.280 230 L C -0.162 176.852 176.870 0.240 0.000 1.004 230 L CA -1.062 53.843 54.840 0.108 0.000 0.820 230 L CB 1.301 43.402 42.059 0.069 0.000 1.247 230 L HN 0.595 nan 8.230 nan 0.000 0.416 231 I N 0.950 121.695 120.570 0.292 0.000 2.740 231 I HA 0.725 4.894 4.170 -0.001 0.000 0.303 231 I C -2.663 173.468 176.117 0.024 0.000 1.044 231 I CA -2.507 58.917 61.300 0.206 0.000 1.064 231 I CB 2.230 40.261 38.000 0.052 0.000 1.249 231 I HN 0.258 nan 8.210 nan 0.000 0.433 232 P HA 0.260 nan 4.420 nan 0.000 0.285 232 P C -1.000 176.091 177.300 -0.349 0.000 1.259 232 P CA -0.439 62.228 63.100 -0.722 0.000 0.794 232 P CB 1.063 32.228 31.700 -0.892 0.000 0.940 233 R N 2.785 123.107 120.500 -0.297 0.000 2.449 233 R HA 0.076 4.416 4.340 -0.001 0.000 0.296 233 R C 0.632 176.816 176.300 -0.192 0.000 1.047 233 R CA -0.088 55.903 56.100 -0.182 0.000 1.018 233 R CB -0.112 30.105 30.300 -0.139 0.000 0.962 233 R HN 0.383 nan 8.270 nan 0.000 0.428 234 N N 4.061 122.654 118.700 -0.178 0.000 2.868 234 N HA 0.026 4.765 4.740 -0.001 0.000 0.252 234 N C 0.518 175.938 175.510 -0.149 0.000 1.130 234 N CA -0.069 52.847 53.050 -0.223 0.000 1.026 234 N CB 0.435 38.718 38.487 -0.341 0.000 1.335 234 N HN 0.474 nan 8.380 nan 0.000 0.516 235 R N 1.612 122.043 120.500 -0.116 0.000 2.117 235 R HA -0.150 4.190 4.340 -0.001 0.000 0.243 235 R C 0.973 177.239 176.300 -0.056 0.000 1.143 235 R CA 1.383 57.437 56.100 -0.077 0.000 0.968 235 R CB 0.070 30.325 30.300 -0.076 0.000 0.863 235 R HN 0.662 nan 8.270 nan 0.000 0.444 236 E N -0.160 120.014 120.200 -0.043 0.000 2.072 236 E HA -0.153 4.197 4.350 -0.001 0.000 0.190 236 E C 1.880 178.561 176.600 0.135 0.000 0.982 236 E CA 0.682 57.076 56.400 -0.010 0.000 0.803 236 E CB -0.027 29.743 29.700 0.116 0.000 0.755 236 E HN 0.396 nan 8.360 nan 0.000 0.453 237 E N 1.071 121.379 120.200 0.180 0.000 2.152 237 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 237 E C 1.714 178.437 176.600 0.205 0.000 0.983 237 E CA 0.681 57.241 56.400 0.267 0.000 0.818 237 E CB 0.194 29.984 29.700 0.150 0.000 0.758 237 E HN 0.220 nan 8.360 nan 0.000 0.467 238 E N 0.375 120.623 120.200 0.081 0.000 2.118 238 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 238 E C 2.084 178.717 176.600 0.054 0.000 0.992 238 E CA 1.070 57.500 56.400 0.050 0.000 0.804 238 E CB -0.077 29.622 29.700 -0.002 0.000 0.741 238 E HN 0.367 nan 8.360 nan 0.000 0.458 239 Q N 0.246 120.075 119.800 0.048 0.000 2.119 239 Q HA -0.213 4.126 4.340 -0.001 0.000 0.201 239 Q C 2.077 178.125 176.000 0.079 0.000 0.972 239 Q CA 1.225 57.037 55.803 0.015 0.000 0.847 239 Q CB -0.186 28.514 28.738 -0.064 0.000 0.903 239 Q HN 0.368 nan 8.270 nan 0.000 0.433 240 Y N 1.090 121.419 120.300 0.049 0.000 2.114 240 Y HA -0.216 4.334 4.550 -0.001 0.000 0.284 240 Y C 1.913 177.854 175.900 0.069 0.000 1.143 240 Y CA 1.804 59.970 58.100 0.110 0.000 1.135 240 Y CB -0.409 38.184 38.460 0.221 0.000 0.980 240 Y HN 0.089 nan 8.280 nan 0.000 0.499 241 L N -0.473 120.794 121.223 0.073 0.000 2.042 241 L HA -0.269 4.071 4.340 -0.001 0.000 0.210 241 L C 2.556 179.364 176.870 -0.104 0.000 1.076 241 L CA 1.674 56.479 54.840 -0.059 0.000 0.749 241 L CB -0.797 41.308 42.059 0.076 0.000 0.893 241 L HN 0.186 nan 8.230 nan 0.000 0.432 242 S N -0.129 115.540 115.700 -0.053 0.000 2.382 242 S HA -0.173 4.297 4.470 -0.001 0.000 0.228 242 S C 1.819 176.370 174.600 -0.082 0.000 1.027 242 S CA 1.177 59.343 58.200 -0.056 0.000 0.991 242 S CB -0.300 62.878 63.200 -0.036 0.000 0.823 242 S HN 0.219 nan 8.310 nan 0.000 0.469 243 L N 1.995 123.153 121.223 -0.108 0.000 1.994 243 L HA -0.039 4.301 4.340 -0.001 0.000 0.208 243 L C 2.229 179.005 176.870 -0.158 0.000 1.071 243 L CA 1.580 56.347 54.840 -0.121 0.000 0.745 243 L CB -0.957 41.034 42.059 -0.114 0.000 0.892 243 L HN 0.131 nan 8.230 nan 0.000 0.431 244 V N -0.008 119.749 119.914 -0.262 0.000 2.252 244 V HA -0.375 3.745 4.120 -0.001 0.000 0.249 244 V C 2.374 178.394 176.094 -0.125 0.000 1.056 244 V CA 2.218 64.379 62.300 -0.232 0.000 1.022 244 V CB -0.948 30.679 31.823 -0.326 0.000 0.641 244 V HN 0.556 nan 8.190 nan 0.000 0.445 245 D N -0.575 119.761 120.400 -0.106 0.000 2.178 245 D HA -0.198 4.442 4.640 -0.001 0.000 0.201 245 D C 2.342 178.611 176.300 -0.052 0.000 0.980 245 D CA 1.269 55.231 54.000 -0.063 0.000 0.842 245 D CB -0.136 40.633 40.800 -0.051 0.000 0.948 245 D HN 0.281 nan 8.370 nan 0.000 0.472 246 R N -0.329 120.135 120.500 -0.059 0.000 2.073 246 R HA -0.010 4.330 4.340 -0.001 0.000 0.229 246 R C 2.356 178.632 176.300 -0.040 0.000 1.120 246 R CA 0.858 56.931 56.100 -0.046 0.000 0.967 246 R CB -0.150 30.122 30.300 -0.047 0.000 0.862 246 R HN 0.271 nan 8.270 nan 0.000 0.436 247 I N 0.638 121.179 120.570 -0.049 0.000 2.127 247 I HA -0.330 3.840 4.170 -0.001 0.000 0.241 247 I C 2.205 178.304 176.117 -0.029 0.000 1.075 247 I CA 1.456 62.733 61.300 -0.038 0.000 1.334 247 I CB -0.284 37.688 38.000 -0.047 0.000 1.040 247 I HN 0.201 nan 8.210 nan 0.000 0.405 248 I N 0.327 120.880 120.570 -0.030 0.000 2.264 248 I HA -0.302 3.867 4.170 -0.001 0.000 0.248 248 I C 2.603 178.710 176.117 -0.016 0.000 1.111 248 I CA 1.572 62.861 61.300 -0.018 0.000 1.382 248 I CB -0.400 37.592 38.000 -0.014 0.000 1.060 248 I HN 0.209 nan 8.210 nan 0.000 0.418 249 R N 0.097 120.585 120.500 -0.019 0.000 2.173 249 R HA 0.014 4.353 4.340 -0.001 0.000 0.208 249 R C 1.401 177.692 176.300 -0.015 0.000 1.035 249 R CA 0.760 56.850 56.100 -0.016 0.000 1.004 249 R CB 0.165 30.454 30.300 -0.018 0.000 0.917 249 R HN 0.382 nan 8.270 nan 0.000 0.462 250 E N -0.704 119.486 120.200 -0.017 0.000 2.606 250 E HA 0.131 4.480 4.350 -0.001 0.000 0.224 250 E C 0.260 176.853 176.600 -0.012 0.000 0.930 250 E CA -0.317 56.075 56.400 -0.013 0.000 1.125 250 E CB 1.327 31.018 29.700 -0.013 0.000 1.123 250 E HN 0.192 nan 8.360 nan 0.000 0.522 251 G N 1.187 109.977 108.800 -0.015 0.000 2.527 251 G HA2 0.084 4.044 3.960 -0.001 0.000 0.248 251 G HA3 0.084 4.044 3.960 -0.001 0.000 0.248 251 G C -0.004 174.883 174.900 -0.022 0.000 1.231 251 G CA -0.421 44.670 45.100 -0.015 0.000 0.838 251 G HN -0.006 nan 8.290 nan 0.000 0.570 252 N N -0.545 118.140 118.700 -0.025 0.000 2.524 252 N HA 0.187 4.927 4.740 -0.001 0.000 0.283 252 N C 0.017 175.486 175.510 -0.069 0.000 1.142 252 N CA -0.426 52.602 53.050 -0.036 0.000 0.984 252 N CB 2.009 40.478 38.487 -0.031 0.000 1.155 252 N HN 0.155 nan 8.380 nan 0.000 0.467 253 V N 2.436 122.305 119.914 -0.076 0.000 2.479 253 V HA 0.132 4.251 4.120 -0.001 0.000 0.281 253 V C 0.689 176.664 176.094 -0.198 0.000 1.031 253 V CA 0.221 62.435 62.300 -0.143 0.000 1.038 253 V CB -0.185 31.581 31.823 -0.094 0.000 0.981 253 V HN 0.472 nan 8.190 nan 0.000 0.478 254 K N 3.093 123.293 120.400 -0.335 0.000 2.409 254 K HA 0.677 4.996 4.320 -0.001 0.000 0.252 254 K C -1.321 174.927 176.600 -0.586 0.000 1.036 254 K CA -1.073 55.032 56.287 -0.303 0.000 0.871 254 K CB 2.476 34.865 32.500 -0.185 0.000 1.374 254 K HN 0.756 nan 8.250 nan 0.000 0.459 255 H N 0.233 119.260 119.070 -0.071 0.000 2.877 255 H HA 0.133 4.689 4.556 -0.001 0.000 0.347 255 H C -0.828 174.471 175.328 -0.049 0.000 1.042 255 H CA -0.875 55.144 56.048 -0.048 0.000 1.276 255 H CB 1.339 31.089 29.762 -0.020 0.000 1.681 255 H HN 0.588 nan 8.280 nan 0.000 0.521 256 D N 1.193 121.630 120.400 0.062 0.000 2.393 256 D HA 0.025 4.664 4.640 -0.001 0.000 0.246 256 D C 1.096 177.445 176.300 0.082 0.000 1.275 256 D CA -0.570 53.461 54.000 0.052 0.000 0.979 256 D CB 0.919 41.778 40.800 0.098 0.000 1.101 256 D HN 0.525 nan 8.370 nan 0.000 0.505 257 R N -1.045 119.501 120.500 0.076 0.000 2.113 257 R HA -0.174 4.166 4.340 -0.001 0.000 0.244 257 R C 2.208 178.546 176.300 0.064 0.000 1.142 257 R CA 2.407 58.549 56.100 0.069 0.000 0.953 257 R CB -1.270 29.079 30.300 0.082 0.000 0.860 257 R HN 0.782 nan 8.270 nan 0.000 0.438 258 T N -2.896 111.702 114.554 0.074 0.000 2.867 258 T HA 0.042 4.392 4.350 -0.001 0.000 0.268 258 T C 1.525 176.255 174.700 0.050 0.000 1.057 258 T CA 1.075 63.210 62.100 0.058 0.000 1.136 258 T CB 0.012 68.912 68.868 0.053 0.000 0.874 258 T HN 0.531 nan 8.240 nan 0.000 0.466 259 G N 0.365 109.210 108.800 0.076 0.000 2.145 259 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.145 259 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.145 259 G C -0.140 174.844 174.900 0.139 0.000 1.017 259 G CA -0.293 44.851 45.100 0.073 0.000 0.682 259 G HN 0.653 nan 8.290 nan 0.000 0.504 260 V N 0.781 120.794 119.914 0.165 0.000 2.607 260 V HA 0.702 4.822 4.120 -0.001 0.000 0.289 260 V C 1.421 177.645 176.094 0.217 0.000 1.053 260 V CA 0.078 62.488 62.300 0.183 0.000 0.996 260 V CB 1.544 33.461 31.823 0.157 0.000 0.995 260 V HN 0.707 nan 8.190 nan 0.000 0.476 261 G N 2.579 111.479 108.800 0.167 0.000 2.442 261 G HA2 0.527 4.487 3.960 -0.001 0.000 0.249 261 G HA3 0.527 4.487 3.960 -0.001 0.000 0.249 261 G C -0.001 174.849 174.900 -0.084 0.000 1.263 261 G CA 0.207 45.289 45.100 -0.030 0.000 0.846 261 G HN 0.944 nan 8.290 nan 0.000 0.555 262 T N -0.432 113.961 114.554 -0.268 0.000 2.912 262 T HA 0.603 4.952 4.350 -0.001 0.000 0.299 262 T C -0.432 174.145 174.700 -0.204 0.000 1.052 262 T CA -0.881 61.052 62.100 -0.278 0.000 0.996 262 T CB 1.434 70.028 68.868 -0.456 0.000 1.070 262 T HN 0.351 nan 8.240 nan 0.000 0.465 263 L N 2.979 124.131 121.223 -0.118 0.000 2.289 263 L HA 0.721 5.060 4.340 -0.001 0.000 0.285 263 L C 0.524 177.368 176.870 -0.044 0.000 1.049 263 L CA -0.631 54.164 54.840 -0.075 0.000 0.804 263 L CB 1.478 43.513 42.059 -0.040 0.000 1.195 263 L HN 0.999 nan 8.230 nan 0.000 0.428 264 S N 3.647 119.327 115.700 -0.034 0.000 2.569 264 S HA 0.873 5.343 4.470 -0.001 0.000 0.280 264 S C -0.849 173.765 174.600 0.023 0.000 1.111 264 S CA -0.739 57.469 58.200 0.015 0.000 0.887 264 S CB 2.284 65.498 63.200 0.024 0.000 1.095 264 S HN 0.485 nan 8.310 nan 0.000 0.476 265 I N -0.843 119.756 120.570 0.049 0.000 2.934 265 I HA 0.856 5.026 4.170 -0.001 0.000 0.306 265 I C -1.435 174.772 176.117 0.151 0.000 1.110 265 I CA -1.107 60.235 61.300 0.070 0.000 1.019 265 I CB 1.606 39.620 38.000 0.023 0.000 1.227 265 I HN 0.629 nan 8.210 nan 0.000 0.434 266 F N 3.452 123.383 119.950 -0.032 0.000 2.426 266 F HA 0.791 5.317 4.527 -0.001 0.000 0.348 266 F C 0.476 176.252 175.800 -0.040 0.000 1.124 266 F CA -0.330 57.651 58.000 -0.032 0.000 1.008 266 F CB 1.114 40.102 39.000 -0.020 0.000 1.139 266 F HN 1.075 nan 8.300 nan 0.000 0.452 267 G N 4.287 112.767 108.800 -0.534 0.000 3.429 267 G HA2 0.464 4.423 3.960 -0.001 0.000 0.605 267 G HA3 0.464 4.423 3.960 -0.001 0.000 0.605 267 G C -1.165 173.580 174.900 -0.258 0.000 0.973 267 G CA -0.252 44.548 45.100 -0.501 0.000 0.774 267 G HN 1.632 nan 8.290 nan 0.000 0.422 268 A N 2.582 125.261 122.820 -0.236 0.000 2.609 268 A HA 0.960 5.280 4.320 -0.001 0.000 0.291 268 A C -0.432 177.048 177.584 -0.173 0.000 1.096 268 A CA -0.163 51.774 52.037 -0.166 0.000 0.684 268 A CB 2.056 20.979 19.000 -0.129 0.000 1.282 268 A HN 1.302 nan 8.150 nan 0.000 0.412 269 Q N 0.628 120.354 119.800 -0.123 0.000 2.289 269 Q HA 0.685 5.025 4.340 -0.001 0.000 0.270 269 Q C -1.668 174.294 176.000 -0.062 0.000 1.038 269 Q CA -0.318 55.422 55.803 -0.105 0.000 0.812 269 Q CB 1.859 30.537 28.738 -0.101 0.000 1.300 269 Q HN 0.814 nan 8.270 nan 0.000 0.427 270 M N 2.654 122.249 119.600 -0.008 0.000 2.535 270 M HA 0.617 5.097 4.480 -0.001 0.000 0.314 270 M C -0.924 175.338 176.300 -0.064 0.000 1.153 270 M CA -0.690 54.587 55.300 -0.038 0.000 0.924 270 M CB 2.447 35.102 32.600 0.091 0.000 1.710 270 M HN 0.396 nan 8.290 nan 0.000 0.451 271 R N 1.385 121.718 120.500 -0.277 0.000 2.670 271 R HA 0.812 5.151 4.340 -0.001 0.000 0.289 271 R C -1.699 174.300 176.300 -0.502 0.000 0.965 271 R CA -0.581 55.397 56.100 -0.204 0.000 0.899 271 R CB 1.832 32.062 30.300 -0.116 0.000 1.173 271 R HN 0.446 nan 8.270 nan 0.000 0.456 272 F N -0.247 119.705 119.950 0.003 0.000 2.565 272 F HA 0.342 4.868 4.527 -0.001 0.000 0.313 272 F C 0.372 176.164 175.800 -0.014 0.000 1.091 272 F CA -0.863 57.132 58.000 -0.008 0.000 0.915 272 F CB 2.437 41.383 39.000 -0.090 0.000 1.208 272 F HN 0.360 nan 8.300 nan 0.000 0.453 273 S N 1.977 117.770 115.700 0.155 0.000 2.513 273 S HA 0.453 4.923 4.470 -0.001 0.000 0.276 273 S C 0.193 174.826 174.600 0.055 0.000 1.254 273 S CA -0.424 57.828 58.200 0.087 0.000 1.053 273 S CB 0.545 63.779 63.200 0.057 0.000 0.958 273 S HN 0.570 nan 8.310 nan 0.000 0.491 274 L N 4.274 125.524 121.223 0.046 0.000 2.693 274 L HA 0.381 4.720 4.340 -0.001 0.000 0.235 274 L C 1.070 177.966 176.870 0.043 0.000 1.127 274 L CA 0.380 55.231 54.840 0.017 0.000 0.914 274 L CB -0.580 41.504 42.059 0.041 0.000 1.193 274 L HN 0.617 nan 8.230 nan 0.000 0.502 275 R N 1.738 122.273 120.500 0.059 0.000 2.537 275 R HA -0.015 4.325 4.340 -0.001 0.000 0.281 275 R C 0.302 176.684 176.300 0.137 0.000 0.988 275 R CA 0.166 56.315 56.100 0.082 0.000 1.077 275 R CB -0.128 30.209 30.300 0.061 0.000 0.932 275 R HN 0.233 nan 8.270 nan 0.000 0.409 276 N N 2.591 121.376 118.700 0.142 0.000 2.754 276 N HA -0.222 4.518 4.740 -0.001 0.000 0.248 276 N C -0.841 174.833 175.510 0.274 0.000 1.093 276 N CA 1.082 54.243 53.050 0.186 0.000 0.699 276 N CB -1.061 37.534 38.487 0.181 0.000 1.016 276 N HN 0.757 nan 8.380 nan 0.000 0.552 277 N N -1.137 117.675 118.700 0.186 0.000 2.747 277 N HA -0.198 4.542 4.740 -0.001 0.000 0.249 277 N C -0.029 175.506 175.510 0.041 0.000 1.107 277 N CA 0.922 54.058 53.050 0.144 0.000 0.707 277 N CB -0.937 37.655 38.487 0.175 0.000 1.054 277 N HN 0.537 nan 8.380 nan 0.000 0.555 278 R N 0.522 120.964 120.500 -0.096 0.000 2.449 278 R HA 0.180 4.520 4.340 -0.001 0.000 0.296 278 R C -0.285 175.793 176.300 -0.370 0.000 1.047 278 R CA -0.190 55.589 56.100 -0.536 0.000 1.018 278 R CB 0.219 30.277 30.300 -0.402 0.000 0.962 278 R HN 0.165 nan 8.270 nan 0.000 0.428 279 L N 8.167 129.107 121.223 -0.471 0.000 2.277 279 L HA 0.374 4.714 4.340 -0.001 0.000 0.284 279 L C -2.109 174.392 176.870 -0.616 0.000 1.028 279 L CA -2.282 52.276 54.840 -0.469 0.000 0.835 279 L CB 1.636 43.370 42.059 -0.541 0.000 1.215 279 L HN 0.516 nan 8.230 nan 0.000 0.425 280 P HA 0.065 nan 4.420 nan 0.000 0.235 280 P C -0.661 175.975 177.300 -1.106 0.000 1.765 280 P CA 0.100 62.349 63.100 -1.418 0.000 1.034 280 P CB -0.339 30.680 31.700 -1.134 0.000 1.984 281 L N 2.619 123.356 121.223 -0.809 0.000 2.278 281 L HA 0.233 4.573 4.340 -0.001 0.000 0.287 281 L C 1.120 177.917 176.870 -0.122 0.000 1.072 281 L CA -0.797 53.713 54.840 -0.550 0.000 0.819 281 L CB 0.444 41.938 42.059 -0.942 0.000 1.176 281 L HN 0.064 nan 8.230 nan 0.000 0.435 282 L N 3.107 124.305 121.223 -0.041 0.000 2.514 282 L HA -0.014 4.326 4.340 -0.001 0.000 0.280 282 L C 1.621 178.710 176.870 0.366 0.000 1.223 282 L CA 0.124 55.089 54.840 0.209 0.000 0.864 282 L CB 0.690 42.705 42.059 -0.072 0.000 1.118 282 L HN 0.739 nan 8.230 nan 0.000 0.494 283 T N -4.004 110.767 114.554 0.363 0.000 3.044 283 T HA -0.079 4.270 4.350 -0.001 0.000 0.255 283 T C 1.526 176.414 174.700 0.312 0.000 1.073 283 T CA 0.637 62.922 62.100 0.308 0.000 1.125 283 T CB -0.211 68.797 68.868 0.234 0.000 0.908 283 T HN 0.749 nan 8.240 nan 0.000 0.480 284 T N -0.794 113.906 114.554 0.243 0.000 3.085 284 T HA 0.186 4.536 4.350 -0.001 0.000 0.263 284 T C 0.499 175.264 174.700 0.110 0.000 1.127 284 T CA 0.217 62.393 62.100 0.127 0.000 1.103 284 T CB -0.226 68.642 68.868 -0.001 0.000 0.921 284 T HN 0.540 nan 8.240 nan 0.000 0.510 285 K N 1.046 121.537 120.400 0.151 0.000 2.588 285 K HA 0.345 4.665 4.320 -0.001 0.000 0.250 285 K C -0.717 175.978 176.600 0.159 0.000 0.972 285 K CA -0.822 55.543 56.287 0.130 0.000 0.821 285 K CB 1.744 34.307 32.500 0.104 0.000 1.249 285 K HN 0.152 nan 8.250 nan 0.000 0.442 286 R N 3.163 123.749 120.500 0.144 0.000 2.538 286 R HA 0.086 4.426 4.340 -0.001 0.000 0.282 286 R C -0.954 175.504 176.300 0.264 0.000 1.009 286 R CA -0.106 56.108 56.100 0.191 0.000 1.063 286 R CB 0.471 30.835 30.300 0.107 0.000 0.945 286 R HN 0.290 nan 8.270 nan 0.000 0.414 287 V N 6.107 126.244 119.914 0.372 0.000 2.539 287 V HA 0.127 4.247 4.120 -0.001 0.000 0.292 287 V C 0.019 176.331 176.094 0.364 0.000 1.045 287 V CA -0.538 61.931 62.300 0.283 0.000 0.945 287 V CB 1.130 33.024 31.823 0.118 0.000 0.993 287 V HN 0.678 nan 8.190 nan 0.000 0.464 288 F N 5.814 125.867 119.950 0.172 0.000 2.679 288 F HA 0.125 4.651 4.527 -0.001 0.000 0.351 288 F C 0.974 176.801 175.800 0.045 0.000 1.279 288 F CA -1.020 57.071 58.000 0.151 0.000 1.227 288 F CB -0.343 38.767 39.000 0.185 0.000 1.623 288 F HN 0.805 nan 8.300 nan 0.000 0.666 289 W N 5.117 126.325 121.300 -0.154 0.000 2.318 289 W HA -0.273 4.387 4.660 -0.001 0.000 0.313 289 W C 1.919 178.142 176.519 -0.494 0.000 1.221 289 W CA 1.900 59.034 57.345 -0.353 0.000 1.266 289 W CB -0.311 29.004 29.460 -0.241 0.000 1.150 289 W HN 0.520 nan 8.180 nan 0.000 0.496 290 R N 0.505 120.615 120.500 -0.650 0.000 2.103 290 R HA -0.170 4.169 4.340 -0.001 0.000 0.242 290 R C 2.565 178.267 176.300 -0.998 0.000 1.142 290 R CA 2.486 58.139 56.100 -0.746 0.000 0.960 290 R CB -1.123 28.997 30.300 -0.299 0.000 0.858 290 R HN 0.284 nan 8.270 nan 0.000 0.439 291 G N -0.259 107.589 108.800 -1.588 0.000 2.418 291 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 291 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 291 G C 1.414 175.941 174.900 -0.622 0.000 1.158 291 G CA 0.919 45.393 45.100 -1.043 0.000 0.771 291 G HN 0.242 nan 8.290 nan 0.000 0.545 292 V N 0.168 119.509 119.914 -0.955 0.000 2.332 292 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 292 V C 2.934 178.521 176.094 -0.845 0.000 1.055 292 V CA 1.775 63.423 62.300 -1.087 0.000 1.038 292 V CB -0.843 30.250 31.823 -1.216 0.000 0.651 292 V HN 0.572 nan 8.190 nan 0.000 0.450 293 C N 0.150 118.786 119.300 -1.106 0.000 2.462 293 C HA -0.100 4.360 4.460 -0.001 0.000 0.278 293 C C 2.886 177.588 174.990 -0.480 0.000 1.253 293 C CA 1.018 59.492 59.018 -0.908 0.000 1.713 293 C CB -0.943 26.121 27.740 -1.127 0.000 2.049 293 C HN 0.603 nan 8.230 nan 0.000 0.477 294 E N 0.513 120.448 120.200 -0.442 0.000 2.085 294 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 294 E C 2.045 178.506 176.600 -0.231 0.000 0.994 294 E CA 1.413 57.650 56.400 -0.272 0.000 0.801 294 E CB -0.707 28.829 29.700 -0.272 0.000 0.743 294 E HN 0.769 nan 8.360 nan 0.000 0.453 295 E N 0.437 120.448 120.200 -0.315 0.000 2.110 295 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 295 E C 2.211 178.529 176.600 -0.470 0.000 0.988 295 E CA 0.510 56.672 56.400 -0.396 0.000 0.804 295 E CB 0.007 29.515 29.700 -0.321 0.000 0.745 295 E HN 0.076 nan 8.360 nan 0.000 0.458 296 L N 0.630 121.696 121.223 -0.262 0.000 2.044 296 L HA -0.120 4.220 4.340 -0.001 0.000 0.205 296 L C 2.195 179.118 176.870 0.088 0.000 1.075 296 L CA 1.319 56.147 54.840 -0.019 0.000 0.747 296 L CB -0.219 41.841 42.059 0.001 0.000 0.903 296 L HN 0.161 nan 8.230 nan 0.000 0.435 297 L N -2.084 119.161 121.223 0.037 0.000 2.131 297 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 297 L C 2.329 179.280 176.870 0.135 0.000 1.092 297 L CA 1.432 56.335 54.840 0.105 0.000 0.759 297 L CB -0.838 41.274 42.059 0.088 0.000 0.903 297 L HN 0.474 nan 8.230 nan 0.000 0.435 298 W N 0.631 121.856 121.300 -0.126 0.000 2.355 298 W HA -0.220 4.440 4.660 -0.000 0.000 0.309 298 W C 2.277 178.754 176.519 -0.069 0.000 1.206 298 W CA 1.342 58.602 57.345 -0.142 0.000 1.284 298 W CB -0.223 29.072 29.460 -0.274 0.000 1.145 298 W HN -0.026 nan 8.180 nan 0.000 0.502 299 F N 0.310 120.269 119.950 0.015 0.000 2.069 299 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 299 F C 2.397 178.064 175.800 -0.222 0.000 1.113 299 F CA 1.417 59.209 58.000 -0.346 0.000 1.214 299 F CB -1.568 37.132 39.000 -0.501 0.000 0.978 299 F HN -0.165 nan 8.300 nan 0.000 0.474 300 L N -0.528 120.847 121.223 0.255 0.000 2.079 300 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 300 L C 2.365 179.307 176.870 0.120 0.000 1.081 300 L CA 1.342 56.334 54.840 0.254 0.000 0.752 300 L CB -0.479 41.714 42.059 0.223 0.000 0.896 300 L HN 0.094 nan 8.230 nan 0.000 0.433 301 R N -0.329 120.202 120.500 0.053 0.000 2.323 301 R HA 0.023 4.363 4.340 -0.001 0.000 0.198 301 R C 1.236 177.522 176.300 -0.024 0.000 0.988 301 R CA 0.568 56.679 56.100 0.019 0.000 1.041 301 R CB -0.025 30.284 30.300 0.014 0.000 0.926 301 R HN 0.486 nan 8.270 nan 0.000 0.476 302 G N 1.599 110.353 108.800 -0.077 0.000 2.160 302 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.251 302 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.251 302 G C -0.261 174.531 174.900 -0.180 0.000 1.008 302 G CA -0.052 44.999 45.100 -0.083 0.000 0.724 302 G HN 0.287 nan 8.290 nan 0.000 0.514 303 E N 0.107 120.032 120.200 -0.459 0.000 2.383 303 E HA 0.383 4.733 4.350 -0.001 0.000 0.264 303 E C 1.257 177.334 176.600 -0.871 0.000 1.050 303 E CA 0.838 56.854 56.400 -0.641 0.000 0.896 303 E CB 0.972 30.064 29.700 -1.013 0.000 0.982 303 E HN 0.628 nan 8.360 nan 0.000 0.424 304 T N -1.401 112.945 114.554 -0.348 0.000 3.262 304 T HA 0.055 4.405 4.350 -0.001 0.000 0.300 304 T C -0.381 174.430 174.700 0.185 0.000 0.959 304 T CA -0.424 61.562 62.100 -0.189 0.000 0.936 304 T CB -0.212 68.537 68.868 -0.199 0.000 1.169 304 T HN 0.320 nan 8.240 nan 0.000 0.532 305 Y N 2.406 122.807 120.300 0.168 0.000 2.491 305 Y HA 0.736 5.285 4.550 -0.000 0.000 0.334 305 Y C 1.153 177.201 175.900 0.246 0.000 0.969 305 Y CA -2.167 56.000 58.100 0.111 0.000 1.241 305 Y CB 0.914 39.397 38.460 0.037 0.000 1.105 305 Y HN 0.221 nan 8.280 nan 0.000 0.503 306 A N 4.855 127.668 122.820 -0.012 0.000 2.121 306 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 306 A C 2.196 179.545 177.584 -0.393 0.000 1.154 306 A CA 1.343 53.228 52.037 -0.254 0.000 0.679 306 A CB -0.335 18.563 19.000 -0.170 0.000 0.795 306 A HN 0.779 nan 8.150 nan 0.000 0.458 307 K N 0.194 120.181 120.400 -0.688 0.000 2.211 307 K HA -0.096 4.223 4.320 -0.001 0.000 0.203 307 K C 1.727 178.093 176.600 -0.389 0.000 1.050 307 K CA 1.347 57.257 56.287 -0.628 0.000 0.945 307 K CB -0.134 31.779 32.500 -0.979 0.000 0.732 307 K HN 0.432 nan 8.250 nan 0.000 0.451 308 K N 0.039 120.264 120.400 -0.292 0.000 2.280 308 K HA -0.135 4.185 4.320 -0.001 0.000 0.202 308 K C 1.708 178.217 176.600 -0.153 0.000 1.047 308 K CA 0.778 57.030 56.287 -0.058 0.000 0.942 308 K CB 0.066 32.693 32.500 0.212 0.000 0.739 308 K HN 0.084 nan 8.250 nan 0.000 0.457 309 L N -0.086 120.939 121.223 -0.330 0.000 2.286 309 L HA -0.027 4.313 4.340 -0.001 0.000 0.203 309 L C 2.037 178.707 176.870 -0.335 0.000 1.068 309 L CA 1.296 55.881 54.840 -0.425 0.000 0.811 309 L CB -0.072 41.553 42.059 -0.724 0.000 0.989 309 L HN 0.051 nan 8.230 nan 0.000 0.467 310 S N -1.956 113.555 115.700 -0.315 0.000 2.489 310 S HA -0.061 4.409 4.470 -0.001 0.000 0.228 310 S C 1.266 175.701 174.600 -0.275 0.000 0.995 310 S CA 0.778 58.764 58.200 -0.355 0.000 0.934 310 S CB -0.349 62.754 63.200 -0.162 0.000 0.771 310 S HN 0.347 nan 8.310 nan 0.000 0.522 311 D N 1.817 122.107 120.400 -0.182 0.000 2.333 311 D HA 0.109 4.749 4.640 -0.001 0.000 0.208 311 D C 1.062 177.307 176.300 -0.092 0.000 0.984 311 D CA 0.664 54.602 54.000 -0.102 0.000 0.873 311 D CB -0.039 40.721 40.800 -0.066 0.000 0.935 311 D HN 0.484 nan 8.370 nan 0.000 0.521 312 K N 0.131 120.453 120.400 -0.130 0.000 2.520 312 K HA 0.268 4.588 4.320 -0.001 0.000 0.205 312 K C 0.751 177.284 176.600 -0.112 0.000 1.035 312 K CA 0.072 56.299 56.287 -0.099 0.000 1.188 312 K CB 0.591 33.030 32.500 -0.102 0.000 0.894 312 K HN 0.023 nan 8.250 nan 0.000 0.497 313 G N 1.180 109.877 108.800 -0.171 0.000 2.249 313 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.273 313 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.273 313 G C -0.091 174.680 174.900 -0.215 0.000 1.036 313 G CA 0.034 45.030 45.100 -0.174 0.000 0.824 313 G HN 0.195 nan 8.290 nan 0.000 0.504 314 V N 0.098 119.792 119.914 -0.367 0.000 2.325 314 V HA 0.426 4.545 4.120 -0.001 0.000 0.280 314 V C 0.439 176.357 176.094 -0.294 0.000 1.016 314 V CA -0.643 61.558 62.300 -0.164 0.000 0.818 314 V CB 1.226 32.978 31.823 -0.117 0.000 1.019 314 V HN 0.453 nan 8.190 nan 0.000 0.434 315 H N 4.043 123.129 119.070 0.026 0.000 2.505 315 H HA 0.238 4.794 4.556 -0.001 0.000 0.289 315 H C 1.905 177.197 175.328 -0.059 0.000 1.052 315 H CA 0.037 56.068 56.048 -0.029 0.000 1.156 315 H CB 0.297 30.035 29.762 -0.041 0.000 1.507 315 H HN 0.769 nan 8.280 nan 0.000 0.548 316 I N -2.497 118.070 120.570 -0.006 0.000 2.335 316 I HA -0.195 3.975 4.170 -0.001 0.000 0.251 316 I C 0.933 176.882 176.117 -0.281 0.000 1.129 316 I CA 1.432 62.626 61.300 -0.177 0.000 1.402 316 I CB -0.159 37.655 38.000 -0.310 0.000 1.069 316 I HN 0.169 nan 8.210 nan 0.000 0.424 317 W N 1.799 123.004 121.300 -0.158 0.000 3.388 317 W HA 0.144 4.803 4.660 -0.000 0.000 0.324 317 W C 1.500 177.943 176.519 -0.127 0.000 1.250 317 W CA -0.313 56.940 57.345 -0.153 0.000 1.809 317 W CB -0.084 29.249 29.460 -0.211 0.000 1.083 317 W HN 0.114 nan 8.180 nan 0.000 0.685 318 D N 0.454 120.884 120.400 0.051 0.000 2.077 318 D HA -0.194 4.446 4.640 -0.001 0.000 0.196 318 D C 1.723 178.014 176.300 -0.015 0.000 0.986 318 D CA 1.669 55.691 54.000 0.036 0.000 0.829 318 D CB -0.304 40.521 40.800 0.041 0.000 0.983 318 D HN 0.020 nan 8.370 nan 0.000 0.453 319 D N 0.471 120.819 120.400 -0.087 0.000 2.104 319 D HA -0.127 4.513 4.640 -0.001 0.000 0.194 319 D C 1.475 177.591 176.300 -0.308 0.000 0.994 319 D CA 0.761 54.673 54.000 -0.148 0.000 0.830 319 D CB -0.418 40.271 40.800 -0.185 0.000 0.959 319 D HN 0.197 nan 8.370 nan 0.000 0.452 320 N N 0.177 118.639 118.700 -0.396 0.000 2.550 320 N HA -0.038 4.702 4.740 -0.001 0.000 0.186 320 N C 1.638 177.123 175.510 -0.042 0.000 1.110 320 N CA 0.659 53.356 53.050 -0.588 0.000 0.912 320 N CB 0.236 38.592 38.487 -0.219 0.000 0.968 320 N HN 0.242 nan 8.380 nan 0.000 0.448 321 G N -0.150 108.692 108.800 0.070 0.000 2.939 321 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.216 321 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.216 321 G C 0.461 175.462 174.900 0.169 0.000 1.125 321 G CA -0.115 45.080 45.100 0.157 0.000 0.766 321 G HN 0.296 nan 8.290 nan 0.000 0.541 322 S N 0.115 115.906 115.700 0.152 0.000 2.573 322 S HA 0.199 4.669 4.470 -0.001 0.000 0.277 322 S C 1.394 176.107 174.600 0.188 0.000 1.346 322 S CA -0.224 58.066 58.200 0.150 0.000 1.034 322 S CB 1.891 65.165 63.200 0.123 0.000 0.879 322 S HN 0.191 nan 8.310 nan 0.000 0.528 323 R N 1.942 122.527 120.500 0.142 0.000 2.103 323 R HA -0.137 4.203 4.340 -0.001 0.000 0.242 323 R C 2.330 178.702 176.300 0.120 0.000 1.142 323 R CA 2.123 58.299 56.100 0.126 0.000 0.960 323 R CB -1.390 28.966 30.300 0.093 0.000 0.858 323 R HN 0.869 nan 8.270 nan 0.000 0.439 324 A N -0.673 122.220 122.820 0.121 0.000 1.902 324 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 324 A C 2.199 179.861 177.584 0.130 0.000 1.181 324 A CA 1.486 53.587 52.037 0.107 0.000 0.623 324 A CB -0.838 18.223 19.000 0.102 0.000 0.818 324 A HN 0.492 nan 8.150 nan 0.000 0.443 325 F N 0.313 120.295 119.950 0.055 0.000 2.163 325 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 325 F C 1.918 177.759 175.800 0.067 0.000 1.094 325 F CA 1.377 59.414 58.000 0.062 0.000 1.290 325 F CB -0.115 38.932 39.000 0.078 0.000 1.017 325 F HN 0.113 nan 8.300 nan 0.000 0.483 326 L N -0.215 121.149 121.223 0.234 0.000 2.093 326 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 326 L C 1.954 178.818 176.870 -0.010 0.000 1.085 326 L CA 1.184 56.111 54.840 0.144 0.000 0.755 326 L CB -0.781 41.412 42.059 0.224 0.000 0.904 326 L HN 0.065 nan 8.230 nan 0.000 0.435 327 D N -0.323 120.073 120.400 -0.007 0.000 2.144 327 D HA -0.152 4.488 4.640 -0.001 0.000 0.199 327 D C 2.395 178.636 176.300 -0.098 0.000 0.984 327 D CA 1.685 55.659 54.000 -0.043 0.000 0.834 327 D CB -0.065 40.728 40.800 -0.011 0.000 0.955 327 D HN 0.337 nan 8.370 nan 0.000 0.465 328 S N -0.163 115.443 115.700 -0.158 0.000 2.428 328 S HA -0.024 4.446 4.470 -0.001 0.000 0.230 328 S C 1.688 176.136 174.600 -0.253 0.000 1.014 328 S CA 0.358 58.432 58.200 -0.209 0.000 0.957 328 S CB 0.039 63.083 63.200 -0.261 0.000 0.784 328 S HN 0.036 nan 8.310 nan 0.000 0.499 329 R N 1.016 121.335 120.500 -0.302 0.000 2.320 329 R HA 0.242 4.582 4.340 -0.001 0.000 0.211 329 R C 1.514 177.728 176.300 -0.144 0.000 0.931 329 R CA 0.572 56.538 56.100 -0.225 0.000 1.071 329 R CB -0.607 29.565 30.300 -0.213 0.000 1.025 329 R HN 0.677 nan 8.270 nan 0.000 0.495 330 G N 0.976 109.695 108.800 -0.136 0.000 2.159 330 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.256 330 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.256 330 G C 0.270 175.075 174.900 -0.159 0.000 0.977 330 G CA -0.044 44.983 45.100 -0.123 0.000 0.652 330 G HN 0.326 nan 8.290 nan 0.000 0.531 331 L N 2.336 123.451 121.223 -0.180 0.000 2.648 331 L HA 0.279 4.618 4.340 -0.001 0.000 0.238 331 L C 2.094 178.827 176.870 -0.229 0.000 1.316 331 L CA 0.286 54.929 54.840 -0.327 0.000 1.241 331 L CB -0.190 41.663 42.059 -0.342 0.000 1.499 331 L HN 0.322 nan 8.230 nan 0.000 0.411 332 T N -4.504 109.954 114.554 -0.160 0.000 3.007 332 T HA -0.075 4.275 4.350 -0.001 0.000 0.270 332 T C 1.449 176.128 174.700 -0.037 0.000 1.107 332 T CA 0.652 62.710 62.100 -0.070 0.000 1.118 332 T CB 0.121 68.957 68.868 -0.053 0.000 0.889 332 T HN 0.317 nan 8.240 nan 0.000 0.506 333 E N 0.468 120.605 120.200 -0.104 0.000 2.140 333 E HA 0.091 4.441 4.350 -0.001 0.000 0.191 333 E C -0.069 176.690 176.600 0.265 0.000 0.973 333 E CA 0.314 56.730 56.400 0.026 0.000 0.829 333 E CB -0.212 29.458 29.700 -0.049 0.000 0.781 333 E HN 0.569 nan 8.360 nan 0.000 0.466 334 Y N 2.613 123.016 120.300 0.173 0.000 2.610 334 Y HA 0.015 4.565 4.550 -0.001 0.000 0.332 334 Y C 1.282 177.317 175.900 0.225 0.000 1.201 334 Y CA -0.883 57.367 58.100 0.249 0.000 1.465 334 Y CB -0.249 38.317 38.460 0.177 0.000 1.283 334 Y HN 0.018 nan 8.280 nan 0.000 0.563 335 E N 1.245 121.692 120.200 0.412 0.000 2.371 335 E HA 0.141 4.491 4.350 -0.001 0.000 0.257 335 E C -0.636 176.114 176.600 0.250 0.000 1.134 335 E CA -0.858 55.694 56.400 0.254 0.000 0.919 335 E CB 0.644 30.454 29.700 0.184 0.000 1.025 335 E HN 0.649 nan 8.360 nan 0.000 0.438 336 E N 1.388 121.709 120.200 0.201 0.000 2.558 336 E HA -0.138 4.212 4.350 -0.001 0.000 0.255 336 E C -0.082 176.641 176.600 0.206 0.000 0.968 336 E CA 0.453 56.964 56.400 0.184 0.000 0.939 336 E CB 0.165 29.947 29.700 0.136 0.000 0.921 336 E HN 0.624 nan 8.360 nan 0.000 0.477 337 M N 1.327 121.030 119.600 0.171 0.000 3.007 337 M HA -0.214 4.266 4.480 -0.001 0.000 0.210 337 M C -0.445 175.968 176.300 0.188 0.000 0.585 337 M CA 0.647 56.012 55.300 0.108 0.000 0.804 337 M CB -1.883 30.659 32.600 -0.096 0.000 2.870 337 M HN 0.598 nan 8.290 nan 0.000 0.297 338 D N 1.976 122.512 120.400 0.227 0.000 2.344 338 D HA 0.396 5.035 4.640 -0.001 0.000 0.253 338 D C 0.903 177.214 176.300 0.018 0.000 1.255 338 D CA 0.026 54.102 54.000 0.128 0.000 0.894 338 D CB 0.377 41.260 40.800 0.139 0.000 1.067 338 D HN 0.458 nan 8.370 nan 0.000 0.492 339 L N 3.134 124.323 121.223 -0.055 0.000 2.591 339 L HA 0.241 4.580 4.340 -0.001 0.000 0.228 339 L C 1.528 178.230 176.870 -0.280 0.000 1.133 339 L CA 0.130 54.920 54.840 -0.083 0.000 0.880 339 L CB -0.638 41.341 42.059 -0.134 0.000 1.033 339 L HN 0.608 nan 8.230 nan 0.000 0.450 340 G N 1.197 109.576 108.800 -0.702 0.000 2.782 340 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.228 340 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.228 340 G C -2.433 171.661 174.900 -1.344 0.000 1.372 340 G CA -0.525 43.868 45.100 -1.178 0.000 0.862 340 G HN 0.065 nan 8.290 nan 0.000 0.547 341 P HA 0.271 nan 4.420 nan 0.000 0.246 341 P C 0.835 177.827 177.300 -0.513 0.000 1.675 341 P CA 0.665 63.006 63.100 -1.265 0.000 0.908 341 P CB -0.702 30.382 31.700 -1.026 0.000 1.890 342 V N -3.040 116.613 119.914 -0.435 0.000 3.170 342 V HA 0.192 4.312 4.120 -0.001 0.000 0.309 342 V C 1.366 177.337 176.094 -0.205 0.000 1.071 342 V CA -0.582 61.538 62.300 -0.301 0.000 1.063 342 V CB -0.424 31.247 31.823 -0.254 0.000 1.123 342 V HN 0.125 nan 8.190 nan 0.000 0.464 343 Y N 2.363 122.541 120.300 -0.204 0.000 1.575 343 Y HA -0.421 4.129 4.550 -0.000 0.000 0.124 343 Y C 2.523 177.912 175.900 -0.851 0.000 0.763 343 Y CA 3.096 60.876 58.100 -0.533 0.000 0.687 343 Y CB -2.110 35.877 38.460 -0.787 0.000 0.538 343 Y HN 0.842 nan 8.280 nan 0.000 0.752 344 G N -1.558 106.857 108.800 -0.642 0.000 2.469 344 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.219 344 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.219 344 G C 1.511 176.303 174.900 -0.179 0.000 1.150 344 G CA 1.114 45.878 45.100 -0.559 0.000 0.763 344 G HN 0.476 nan 8.290 nan 0.000 0.561 345 F N 1.159 120.961 119.950 -0.246 0.000 2.126 345 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 345 F C 2.937 178.749 175.800 0.021 0.000 1.096 345 F CA 1.999 59.932 58.000 -0.111 0.000 1.255 345 F CB 0.081 38.922 39.000 -0.264 0.000 0.997 345 F HN 0.096 nan 8.300 nan 0.000 0.479 346 Q N -0.741 119.163 119.800 0.174 0.000 2.123 346 Q HA -0.180 4.160 4.340 -0.001 0.000 0.199 346 Q C 2.102 178.359 176.000 0.429 0.000 0.966 346 Q CA 1.350 57.317 55.803 0.273 0.000 0.845 346 Q CB -0.898 28.037 28.738 0.327 0.000 0.907 346 Q HN 0.521 nan 8.270 nan 0.000 0.439 347 W N 1.417 122.797 121.300 0.134 0.000 2.338 347 W HA -0.123 4.537 4.660 -0.001 0.000 0.304 347 W C 1.948 178.419 176.519 -0.080 0.000 1.212 347 W CA 0.842 58.224 57.345 0.062 0.000 1.264 347 W CB -0.375 29.059 29.460 -0.043 0.000 1.142 347 W HN 0.152 nan 8.180 nan 0.000 0.512 348 R N -1.589 118.929 120.500 0.031 0.000 2.308 348 R HA 0.092 4.432 4.340 -0.001 0.000 0.202 348 R C 0.128 175.988 176.300 -0.734 0.000 0.898 348 R CA 0.596 56.503 56.100 -0.322 0.000 1.046 348 R CB -0.433 29.630 30.300 -0.395 0.000 1.026 348 R HN 0.318 nan 8.270 nan 0.000 0.512 349 H N -0.735 118.171 119.070 -0.274 0.000 2.901 349 H HA 0.124 4.680 4.556 -0.001 0.000 0.227 349 H C -0.832 174.348 175.328 -0.248 0.000 1.390 349 H CA -0.822 54.980 56.048 -0.409 0.000 1.120 349 H CB -0.368 28.801 29.762 -0.989 0.000 2.131 349 H HN -0.064 nan 8.280 nan 0.000 0.549 350 F N 2.159 122.084 119.950 -0.042 0.000 2.569 350 F HA 0.229 4.756 4.527 -0.001 0.000 0.395 350 F C 1.433 177.281 175.800 0.079 0.000 1.028 350 F CA 2.022 60.057 58.000 0.058 0.000 1.158 350 F CB 0.323 39.379 39.000 0.092 0.000 1.023 350 F HN 0.632 nan 8.300 nan 0.000 0.547 351 G N 3.517 112.068 108.800 -0.416 0.000 2.175 351 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.244 351 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.244 351 G C 0.285 175.196 174.900 0.019 0.000 0.982 351 G CA -0.106 44.852 45.100 -0.237 0.000 0.641 351 G HN 1.348 nan 8.290 nan 0.000 0.527 352 A N 0.457 123.345 122.820 0.114 0.000 2.511 352 A HA 0.733 5.053 4.320 -0.001 0.000 0.242 352 A C 1.118 178.878 177.584 0.292 0.000 1.069 352 A CA 1.067 53.234 52.037 0.216 0.000 0.763 352 A CB 0.289 19.420 19.000 0.219 0.000 1.001 352 A HN 2.143 nan 8.150 nan 0.000 0.498 353 A N 1.814 124.767 122.820 0.220 0.000 2.520 353 A HA 0.420 4.739 4.320 -0.001 0.000 0.245 353 A C -0.303 177.448 177.584 0.278 0.000 1.072 353 A CA 0.245 52.391 52.037 0.182 0.000 0.761 353 A CB -0.243 18.824 19.000 0.111 0.000 1.004 353 A HN 0.986 nan 8.150 nan 0.000 0.499 354 Y N 2.020 122.324 120.300 0.007 0.000 2.387 354 Y HA 0.460 5.010 4.550 -0.000 0.000 0.336 354 Y C 1.307 177.191 175.900 -0.026 0.000 1.067 354 Y CA 0.520 58.557 58.100 -0.104 0.000 1.114 354 Y CB 1.892 40.051 38.460 -0.502 0.000 1.208 354 Y HN 0.856 nan 8.280 nan 0.000 0.458 355 T N 0.396 114.645 114.554 -0.509 0.000 3.400 355 T HA 0.345 4.695 4.350 -0.001 0.000 0.228 355 T C -0.226 173.988 174.700 -0.810 0.000 0.992 355 T CA 0.057 61.908 62.100 -0.416 0.000 1.222 355 T CB 0.106 68.844 68.868 -0.216 0.000 1.236 355 T HN 0.572 nan 8.240 nan 0.000 0.357 356 H N 0.204 118.919 119.070 -0.592 0.000 2.985 356 H HA 0.371 4.926 4.556 -0.001 0.000 0.360 356 H C 0.909 175.974 175.328 -0.437 0.000 1.221 356 H CA 0.102 55.884 56.048 -0.443 0.000 1.121 356 H CB 1.707 31.328 29.762 -0.235 0.000 1.854 356 H HN 0.653 nan 8.280 nan 0.000 0.551 357 H N -0.144 118.883 119.070 -0.073 0.000 2.421 357 H HA -0.124 4.432 4.556 -0.000 0.000 0.298 357 H C 0.723 176.037 175.328 -0.024 0.000 1.087 357 H CA 1.906 57.945 56.048 -0.015 0.000 1.330 357 H CB 0.160 29.867 29.762 -0.092 0.000 1.388 357 H HN 0.476 nan 8.280 nan 0.000 0.526 358 D N 1.033 120.958 120.400 -0.792 0.000 2.340 358 D HA 0.161 4.801 4.640 -0.001 0.000 0.220 358 D C 0.793 176.905 176.300 -0.314 0.000 1.039 358 D CA 0.315 53.989 54.000 -0.543 0.000 0.866 358 D CB -0.320 40.063 40.800 -0.696 0.000 0.913 358 D HN 0.587 nan 8.370 nan 0.000 0.523 359 A N 0.632 123.268 122.820 -0.306 0.000 2.351 359 A HA 0.260 4.580 4.320 -0.001 0.000 0.257 359 A C 0.298 177.570 177.584 -0.520 0.000 1.087 359 A CA -0.523 51.248 52.037 -0.443 0.000 0.798 359 A CB 0.264 18.889 19.000 -0.624 0.000 1.033 359 A HN 0.126 nan 8.150 nan 0.000 0.488 360 N N 0.208 118.604 118.700 -0.506 0.000 2.458 360 N HA 0.227 4.967 4.740 -0.001 0.000 0.270 360 N C -0.879 174.279 175.510 -0.587 0.000 1.102 360 N CA 0.276 53.086 53.050 -0.399 0.000 0.967 360 N CB 0.199 38.528 38.487 -0.262 0.000 1.078 360 N HN 0.529 nan 8.380 nan 0.000 0.471 361 Y N 0.167 120.314 120.300 -0.254 0.000 2.557 361 Y HA 0.259 4.808 4.550 -0.000 0.000 0.247 361 Y C -0.121 175.579 175.900 -0.334 0.000 1.164 361 Y CA -0.698 57.191 58.100 -0.352 0.000 1.218 361 Y CB 0.292 38.380 38.460 -0.621 0.000 1.210 361 Y HN 0.385 nan 8.280 nan 0.000 0.529 362 D N 0.710 120.951 120.400 -0.265 0.000 2.533 362 D HA 0.170 4.809 4.640 -0.001 0.000 0.236 362 D C 1.463 177.427 176.300 -0.561 0.000 1.137 362 D CA 2.058 55.672 54.000 -0.643 0.000 0.867 362 D CB 0.884 41.019 40.800 -1.108 0.000 1.170 362 D HN 0.579 nan 8.370 nan 0.000 0.474 363 G N 2.710 111.239 108.800 -0.453 0.000 2.304 363 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.252 363 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.252 363 G C 0.388 175.313 174.900 0.041 0.000 1.014 363 G CA 0.134 45.192 45.100 -0.069 0.000 0.619 363 G HN 0.565 nan 8.290 nan 0.000 0.525 364 Q N 0.471 120.304 119.800 0.056 0.000 2.340 364 Q HA 0.472 4.812 4.340 -0.001 0.000 0.249 364 Q C 1.063 177.159 176.000 0.160 0.000 0.957 364 Q CA 0.412 56.281 55.803 0.110 0.000 0.882 364 Q CB 1.187 29.995 28.738 0.116 0.000 1.235 364 Q HN 1.626 nan 8.270 nan 0.000 0.439 365 G N 0.138 109.013 108.800 0.125 0.000 2.598 365 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.244 365 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.244 365 G C -0.872 174.100 174.900 0.121 0.000 1.302 365 G CA -0.531 44.644 45.100 0.125 0.000 0.903 365 G HN 0.546 nan 8.290 nan 0.000 0.575 366 V N 1.016 121.019 119.914 0.149 0.000 2.384 366 V HA 0.452 4.571 4.120 -0.001 0.000 0.287 366 V C -0.135 175.986 176.094 0.045 0.000 1.020 366 V CA -0.177 62.191 62.300 0.113 0.000 0.850 366 V CB 1.700 33.611 31.823 0.147 0.000 0.987 366 V HN 0.762 nan 8.190 nan 0.000 0.436 367 D N 3.961 124.354 120.400 -0.013 0.000 2.508 367 D HA 0.126 4.765 4.640 -0.001 0.000 0.224 367 D C 1.289 177.576 176.300 -0.020 0.000 1.171 367 D CA 0.189 54.149 54.000 -0.067 0.000 1.006 367 D CB 0.800 41.557 40.800 -0.072 0.000 1.073 367 D HN 0.611 nan 8.370 nan 0.000 0.513 368 Q N 2.036 121.842 119.800 0.010 0.000 2.135 368 Q HA -0.160 4.180 4.340 -0.001 0.000 0.204 368 Q C 1.761 177.742 176.000 -0.032 0.000 0.981 368 Q CA 0.879 56.698 55.803 0.026 0.000 0.856 368 Q CB 0.381 29.182 28.738 0.105 0.000 0.902 368 Q HN 0.563 nan 8.270 nan 0.000 0.425 369 I N 1.194 121.694 120.570 -0.115 0.000 2.163 369 I HA -0.251 3.919 4.170 -0.001 0.000 0.240 369 I C 2.342 178.403 176.117 -0.093 0.000 1.081 369 I CA 1.419 62.615 61.300 -0.173 0.000 1.353 369 I CB -1.043 36.836 38.000 -0.201 0.000 1.054 369 I HN 0.233 nan 8.210 nan 0.000 0.407 370 K N 1.014 121.381 120.400 -0.056 0.000 2.103 370 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 370 K C 2.156 178.741 176.600 -0.027 0.000 1.048 370 K CA 1.663 57.932 56.287 -0.029 0.000 0.930 370 K CB 0.050 32.547 32.500 -0.005 0.000 0.716 370 K HN 0.286 nan 8.250 nan 0.000 0.444 371 A N 1.264 124.073 122.820 -0.018 0.000 1.873 371 A HA -0.113 4.206 4.320 -0.001 0.000 0.215 371 A C 2.079 179.653 177.584 -0.015 0.000 1.186 371 A CA 1.260 53.292 52.037 -0.008 0.000 0.616 371 A CB -0.506 18.498 19.000 0.007 0.000 0.823 371 A HN 0.307 nan 8.150 nan 0.000 0.442 372 I N -0.330 120.231 120.570 -0.015 0.000 2.163 372 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 372 I C 2.392 178.448 176.117 -0.102 0.000 1.085 372 I CA 1.289 62.574 61.300 -0.025 0.000 1.347 372 I CB -0.275 37.740 38.000 0.025 0.000 1.044 372 I HN 0.166 nan 8.210 nan 0.000 0.408 373 V N 0.527 120.369 119.914 -0.120 0.000 2.287 373 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 373 V C 2.493 178.536 176.094 -0.085 0.000 1.053 373 V CA 2.188 64.412 62.300 -0.127 0.000 1.027 373 V CB -0.597 31.166 31.823 -0.099 0.000 0.646 373 V HN 0.411 nan 8.190 nan 0.000 0.447 374 E N 0.373 120.540 120.200 -0.055 0.000 2.058 374 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 374 E C 2.238 178.815 176.600 -0.037 0.000 0.997 374 E CA 2.219 58.597 56.400 -0.038 0.000 0.801 374 E CB -0.525 29.162 29.700 -0.023 0.000 0.746 374 E HN 0.644 nan 8.360 nan 0.000 0.450 375 T N 0.794 115.327 114.554 -0.034 0.000 2.708 375 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 375 T C 1.936 176.613 174.700 -0.039 0.000 1.037 375 T CA 1.333 63.417 62.100 -0.027 0.000 1.146 375 T CB -0.368 68.494 68.868 -0.011 0.000 0.865 375 T HN 0.110 nan 8.240 nan 0.000 0.435 376 L N 0.564 121.751 121.223 -0.061 0.000 2.081 376 L HA -0.175 4.165 4.340 -0.001 0.000 0.212 376 L C 2.697 179.530 176.870 -0.062 0.000 1.080 376 L CA 1.482 56.278 54.840 -0.074 0.000 0.754 376 L CB -0.513 41.472 42.059 -0.124 0.000 0.893 376 L HN 0.225 nan 8.230 nan 0.000 0.433 377 K N -0.833 119.532 120.400 -0.059 0.000 2.148 377 K HA -0.124 4.196 4.320 -0.001 0.000 0.204 377 K C 2.110 178.687 176.600 -0.038 0.000 1.050 377 K CA 1.879 58.137 56.287 -0.048 0.000 0.942 377 K CB -0.083 32.390 32.500 -0.046 0.000 0.724 377 K HN 0.544 nan 8.250 nan 0.000 0.446 378 T N -2.700 111.834 114.554 -0.034 0.000 3.045 378 T HA -0.003 4.347 4.350 -0.001 0.000 0.239 378 T C 0.770 175.454 174.700 -0.027 0.000 1.008 378 T CA 0.016 62.100 62.100 -0.027 0.000 1.143 378 T CB 0.018 68.873 68.868 -0.022 0.000 0.894 378 T HN 0.027 nan 8.240 nan 0.000 0.451 379 N N 1.984 120.667 118.700 -0.028 0.000 2.664 379 N HA 0.288 5.027 4.740 -0.001 0.000 0.257 379 N C -2.613 172.876 175.510 -0.036 0.000 1.108 379 N CA -1.705 51.328 53.050 -0.028 0.000 0.822 379 N CB 2.125 40.600 38.487 -0.020 0.000 1.199 379 N HN 0.067 nan 8.380 nan 0.000 0.529 380 P HA 0.178 nan 4.420 nan 0.000 0.255 380 P C 0.033 177.274 177.300 -0.098 0.000 1.248 380 P CA 0.404 63.465 63.100 -0.066 0.000 0.807 380 P CB 0.478 32.136 31.700 -0.071 0.000 1.150 381 D N -0.326 120.023 120.400 -0.084 0.000 2.340 381 D HA -0.002 4.637 4.640 -0.001 0.000 0.220 381 D C 0.264 176.530 176.300 -0.057 0.000 1.039 381 D CA 0.345 54.287 54.000 -0.097 0.000 0.866 381 D CB -0.591 40.169 40.800 -0.067 0.000 0.913 381 D HN 0.214 nan 8.370 nan 0.000 0.523 382 D N -0.133 120.247 120.400 -0.034 0.000 2.423 382 D HA 0.054 4.694 4.640 -0.001 0.000 0.238 382 D C 0.725 177.036 176.300 0.018 0.000 1.142 382 D CA 0.190 54.188 54.000 -0.004 0.000 0.884 382 D CB 0.678 41.480 40.800 0.004 0.000 1.199 382 D HN -0.125 nan 8.370 nan 0.000 0.438 383 R N 2.088 122.606 120.500 0.031 0.000 2.613 383 R HA 0.249 4.589 4.340 -0.001 0.000 0.361 383 R C 0.369 176.697 176.300 0.046 0.000 1.072 383 R CA -0.071 56.060 56.100 0.052 0.000 1.089 383 R CB 0.613 30.941 30.300 0.047 0.000 1.343 383 R HN 0.284 nan 8.270 nan 0.000 0.571 384 R N 0.089 120.616 120.500 0.045 0.000 2.629 384 R HA 0.306 4.646 4.340 -0.001 0.000 0.408 384 R C 0.027 176.364 176.300 0.062 0.000 1.057 384 R CA -0.150 55.972 56.100 0.038 0.000 1.119 384 R CB 0.678 30.991 30.300 0.022 0.000 1.403 384 R HN -0.002 nan 8.270 nan 0.000 0.576 385 M N 2.572 122.232 119.600 0.100 0.000 3.586 385 M HA 0.213 4.693 4.480 -0.001 0.000 0.225 385 M C -0.979 175.467 176.300 0.242 0.000 1.428 385 M CA -0.194 55.208 55.300 0.170 0.000 1.613 385 M CB -0.001 32.715 32.600 0.193 0.000 1.063 385 M HN 0.058 nan 8.290 nan 0.000 0.593 386 L N -0.412 120.910 121.223 0.164 0.000 2.422 386 L HA 0.891 5.231 4.340 -0.001 0.000 0.264 386 L C -1.128 175.819 176.870 0.129 0.000 0.984 386 L CA -0.925 53.973 54.840 0.097 0.000 0.819 386 L CB 1.376 43.420 42.059 -0.024 0.000 1.330 386 L HN 0.267 nan 8.230 nan 0.000 0.410 387 F N -0.768 119.172 119.950 -0.017 0.000 2.520 387 F HA 0.893 5.420 4.527 -0.001 0.000 0.322 387 F C -0.205 175.587 175.800 -0.012 0.000 1.103 387 F CA -0.722 57.250 58.000 -0.046 0.000 0.926 387 F CB 1.782 40.715 39.000 -0.112 0.000 1.154 387 F HN 0.736 nan 8.300 nan 0.000 0.453 388 T N 1.640 116.282 114.554 0.146 0.000 2.885 388 T HA 0.684 5.033 4.350 -0.001 0.000 0.285 388 T C 0.282 175.268 174.700 0.477 0.000 1.019 388 T CA -0.057 62.161 62.100 0.198 0.000 1.010 388 T CB 1.571 70.529 68.868 0.150 0.000 1.022 388 T HN 1.006 nan 8.240 nan 0.000 0.466 389 A N 3.579 126.715 122.820 0.527 0.000 2.343 389 A HA 0.250 4.569 4.320 -0.001 0.000 0.223 389 A C 0.703 178.520 177.584 0.388 0.000 1.214 389 A CA -0.525 51.834 52.037 0.537 0.000 0.900 389 A CB 0.055 19.389 19.000 0.555 0.000 0.942 389 A HN 0.836 nan 8.150 nan 0.000 0.507 390 W N 2.486 123.926 121.300 0.232 0.000 2.510 390 W HA 0.237 4.897 4.660 -0.000 0.000 0.388 390 W C -0.714 175.940 176.519 0.225 0.000 1.092 390 W CA -0.215 57.230 57.345 0.167 0.000 1.562 390 W CB 0.131 29.667 29.460 0.127 0.000 1.603 390 W HN 0.245 nan 8.180 nan 0.000 0.396 391 N N 7.115 125.776 118.700 -0.065 0.000 2.621 391 N HA 0.219 4.959 4.740 -0.001 0.000 0.237 391 N C -1.810 173.546 175.510 -0.258 0.000 0.997 391 N CA -2.202 50.807 53.050 -0.068 0.000 0.918 391 N CB 1.505 39.839 38.487 -0.256 0.000 1.122 391 N HN 0.050 nan 8.380 nan 0.000 0.510 392 P HA -0.119 nan 4.420 nan 0.000 0.217 392 P C 0.976 178.207 177.300 -0.115 0.000 1.151 392 P CA 1.255 64.269 63.100 -0.144 0.000 0.849 392 P CB 0.441 32.161 31.700 0.033 0.000 0.787 393 S N -0.389 115.260 115.700 -0.085 0.000 2.355 393 S HA -0.112 4.358 4.470 -0.001 0.000 0.222 393 S C 2.076 176.602 174.600 -0.125 0.000 1.031 393 S CA 1.436 59.587 58.200 -0.082 0.000 0.993 393 S CB -1.062 62.102 63.200 -0.060 0.000 0.859 393 S HN 0.175 nan 8.310 nan 0.000 0.453 394 A N 1.059 123.771 122.820 -0.180 0.000 2.067 394 A HA 0.126 4.446 4.320 -0.001 0.000 0.217 394 A C 1.914 179.368 177.584 -0.216 0.000 1.156 394 A CA 0.530 52.448 52.037 -0.198 0.000 0.683 394 A CB -0.515 18.343 19.000 -0.236 0.000 0.808 394 A HN 0.316 nan 8.150 nan 0.000 0.455 395 L N 0.558 121.624 121.223 -0.263 0.000 1.991 395 L HA -0.173 4.166 4.340 -0.001 0.000 0.221 395 L C -0.389 176.370 176.870 -0.186 0.000 1.079 395 L CA 2.792 57.455 54.840 -0.295 0.000 0.778 395 L CB -1.494 40.332 42.059 -0.389 0.000 0.893 395 L HN 0.295 nan 8.230 nan 0.000 0.437 396 P HA -0.137 nan 4.420 nan 0.000 0.230 396 P C 1.073 178.325 177.300 -0.080 0.000 1.158 396 P CA 1.209 64.252 63.100 -0.095 0.000 0.769 396 P CB -0.088 31.565 31.700 -0.079 0.000 0.807 397 R N -1.375 119.074 120.500 -0.085 0.000 2.317 397 R HA 0.292 4.632 4.340 -0.001 0.000 0.208 397 R C 1.149 177.454 176.300 0.008 0.000 0.914 397 R CA 0.048 56.129 56.100 -0.032 0.000 1.060 397 R CB -0.072 30.209 30.300 -0.031 0.000 1.015 397 R HN 0.313 nan 8.270 nan 0.000 0.498 398 M N -0.499 119.059 119.600 -0.070 0.000 2.342 398 M HA 0.265 4.745 4.480 -0.001 0.000 0.332 398 M C 1.301 177.641 176.300 0.067 0.000 1.166 398 M CA -0.282 54.972 55.300 -0.076 0.000 1.086 398 M CB 1.423 33.932 32.600 -0.152 0.000 1.541 398 M HN -0.035 nan 8.290 nan 0.000 0.462 399 A N 2.866 125.768 122.820 0.138 0.000 1.855 399 A HA 0.139 4.458 4.320 -0.001 0.000 0.215 399 A C 0.781 178.590 177.584 0.375 0.000 1.191 399 A CA 1.182 53.416 52.037 0.328 0.000 0.613 399 A CB -0.005 19.222 19.000 0.377 0.000 0.829 399 A HN 0.703 nan 8.150 nan 0.000 0.442 400 L N -0.631 120.769 121.223 0.295 0.000 2.401 400 L HA 0.400 4.740 4.340 -0.001 0.000 0.266 400 L C -2.767 174.153 176.870 0.085 0.000 0.991 400 L CA -2.318 52.671 54.840 0.248 0.000 0.818 400 L CB 2.272 44.525 42.059 0.322 0.000 1.321 400 L HN -0.012 nan 8.230 nan 0.000 0.413 401 P HA 0.139 nan 4.420 nan 0.000 0.269 401 P C -2.508 174.802 177.300 0.018 0.000 1.209 401 P CA -0.986 62.073 63.100 -0.069 0.000 0.776 401 P CB -0.226 31.460 31.700 -0.023 0.000 0.876 402 P HA -0.031 nan 4.420 nan 0.000 0.268 402 P C 0.283 177.785 177.300 0.336 0.000 1.205 402 P CA -0.024 63.010 63.100 -0.111 0.000 0.771 402 P CB 0.725 32.386 31.700 -0.066 0.000 0.858 403 C N 3.199 122.747 119.300 0.414 0.000 2.611 403 C HA 0.068 4.528 4.460 -0.001 0.000 0.283 403 C C 1.137 176.362 174.990 0.391 0.000 1.340 403 C CA 0.561 59.822 59.018 0.405 0.000 1.716 403 C CB -1.606 26.394 27.740 0.434 0.000 2.134 403 C HN 0.738 nan 8.230 nan 0.000 0.526 404 H N 1.485 120.837 119.070 0.470 0.000 2.934 404 H HA 0.475 5.030 4.556 -0.000 0.000 0.273 404 H C 0.209 175.840 175.328 0.505 0.000 1.121 404 H CA -0.123 56.144 56.048 0.364 0.000 1.451 404 H CB 0.153 30.110 29.762 0.325 0.000 1.469 404 H HN 0.448 nan 8.280 nan 0.000 0.476 405 L N 1.480 122.922 121.223 0.364 0.000 2.966 405 L HA 0.484 4.824 4.340 -0.001 0.000 0.262 405 L C -0.552 176.457 176.870 0.233 0.000 1.165 405 L CA -0.327 54.736 54.840 0.371 0.000 0.978 405 L CB 0.388 42.694 42.059 0.412 0.000 1.337 405 L HN 0.533 nan 8.230 nan 0.000 0.563 406 L N 0.909 122.178 121.223 0.077 0.000 2.641 406 L HA 0.878 5.217 4.340 -0.001 0.000 0.261 406 L C -1.672 175.008 176.870 -0.316 0.000 0.926 406 L CA -0.245 54.513 54.840 -0.137 0.000 0.917 406 L CB 1.855 43.867 42.059 -0.080 0.000 1.361 406 L HN 0.091 nan 8.230 nan 0.000 0.417 407 A N 4.278 126.715 122.820 -0.639 0.000 2.381 407 A HA 0.722 5.042 4.320 -0.001 0.000 0.299 407 A C -1.400 175.857 177.584 -0.545 0.000 1.049 407 A CA -0.461 51.187 52.037 -0.649 0.000 0.715 407 A CB 1.774 20.294 19.000 -0.799 0.000 1.222 407 A HN 0.679 nan 8.150 nan 0.000 0.428 408 Q N 1.687 121.249 119.800 -0.397 0.000 2.312 408 Q HA 0.677 5.016 4.340 -0.001 0.000 0.263 408 Q C -1.684 174.142 176.000 -0.289 0.000 0.995 408 Q CA -0.455 55.208 55.803 -0.234 0.000 0.853 408 Q CB 1.092 29.769 28.738 -0.102 0.000 1.300 408 Q HN 0.621 nan 8.270 nan 0.000 0.448 409 F N 2.233 122.239 119.950 0.095 0.000 2.440 409 F HA 0.515 5.042 4.527 -0.000 0.000 0.328 409 F C -0.657 175.254 175.800 0.185 0.000 1.070 409 F CA -0.427 57.651 58.000 0.131 0.000 1.011 409 F CB 1.193 40.259 39.000 0.109 0.000 1.226 409 F HN 0.499 nan 8.300 nan 0.000 0.491 410 Y N 0.633 121.084 120.300 0.251 0.000 2.482 410 Y HA 0.640 5.190 4.550 -0.000 0.000 0.334 410 Y C -1.863 174.109 175.900 0.119 0.000 1.091 410 Y CA -0.999 57.181 58.100 0.134 0.000 1.027 410 Y CB 1.520 40.028 38.460 0.080 0.000 1.306 410 Y HN 0.340 nan 8.280 nan 0.000 0.446 411 V N 4.455 124.185 119.914 -0.306 0.000 2.555 411 V HA 0.792 4.912 4.120 -0.001 0.000 0.302 411 V C -0.851 175.073 176.094 -0.284 0.000 1.038 411 V CA -0.458 61.741 62.300 -0.170 0.000 0.887 411 V CB 1.707 33.456 31.823 -0.124 0.000 0.991 411 V HN 0.716 nan 8.190 nan 0.000 0.434 412 S N 4.187 119.860 115.700 -0.046 0.000 2.584 412 S HA 0.398 4.868 4.470 -0.001 0.000 0.280 412 S C -0.255 174.371 174.600 0.044 0.000 1.162 412 S CA -0.549 57.658 58.200 0.012 0.000 0.951 412 S CB 0.990 64.301 63.200 0.185 0.000 1.108 412 S HN 0.847 nan 8.310 nan 0.000 0.464 413 N N 2.611 121.325 118.700 0.024 0.000 2.740 413 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 413 N C 0.866 176.391 175.510 0.024 0.000 1.062 413 N CA 1.489 54.555 53.050 0.027 0.000 0.704 413 N CB -1.482 37.030 38.487 0.042 0.000 0.968 413 N HN 1.950 nan 8.380 nan 0.000 0.547 414 G N -0.384 108.422 108.800 0.010 0.000 2.233 414 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.270 414 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.270 414 G C -0.155 174.759 174.900 0.023 0.000 1.011 414 G CA 1.069 46.174 45.100 0.009 0.000 0.762 414 G HN 0.647 nan 8.290 nan 0.000 0.511 415 E N -1.079 119.145 120.200 0.040 0.000 2.199 415 E HA 0.559 4.908 4.350 -0.001 0.000 0.269 415 E C -0.564 176.090 176.600 0.089 0.000 0.899 415 E CA -1.105 55.334 56.400 0.064 0.000 0.772 415 E CB 2.029 31.776 29.700 0.079 0.000 1.155 415 E HN 0.147 nan 8.360 nan 0.000 0.408 416 L N 2.513 123.796 121.223 0.101 0.000 2.255 416 L HA 0.307 4.646 4.340 -0.001 0.000 0.289 416 L C -0.667 176.335 176.870 0.219 0.000 1.046 416 L CA 0.257 55.188 54.840 0.153 0.000 0.816 416 L CB 0.831 42.957 42.059 0.112 0.000 1.197 416 L HN 0.347 nan 8.230 nan 0.000 0.427 417 S N 3.438 119.301 115.700 0.272 0.000 2.730 417 S HA 0.706 5.175 4.470 -0.001 0.000 0.284 417 S C -0.920 173.842 174.600 0.269 0.000 1.153 417 S CA -0.554 57.792 58.200 0.243 0.000 0.995 417 S CB 1.498 64.825 63.200 0.211 0.000 1.058 417 S HN 0.847 nan 8.310 nan 0.000 0.552 418 C N 2.421 121.793 119.300 0.121 0.000 3.090 418 C HA 0.618 5.077 4.460 -0.001 0.000 0.347 418 C C -1.341 173.590 174.990 -0.098 0.000 1.147 418 C CA -0.671 58.308 59.018 -0.066 0.000 1.305 418 C CB 0.763 28.434 27.740 -0.115 0.000 1.692 418 C HN 0.857 nan 8.230 nan 0.000 0.506 419 M N 4.677 124.164 119.600 -0.188 0.000 2.383 419 M HA 0.606 5.086 4.480 -0.001 0.000 0.325 419 M C -1.303 174.874 176.300 -0.206 0.000 1.092 419 M CA -0.599 54.616 55.300 -0.142 0.000 0.961 419 M CB 1.777 34.308 32.600 -0.114 0.000 1.672 419 M HN 0.753 nan 8.290 nan 0.000 0.438 420 L N 5.138 126.264 121.223 -0.162 0.000 2.356 420 L HA 0.474 4.813 4.340 -0.001 0.000 0.277 420 L C -1.950 174.855 176.870 -0.108 0.000 0.996 420 L CA -0.328 54.355 54.840 -0.261 0.000 0.822 420 L CB 1.447 43.250 42.059 -0.427 0.000 1.256 420 L HN 0.590 nan 8.230 nan 0.000 0.413 421 Y N 4.046 124.225 120.300 -0.201 0.000 2.328 421 Y HA 0.544 5.094 4.550 -0.000 0.000 0.337 421 Y C -0.458 175.397 175.900 -0.075 0.000 1.008 421 Y CA 0.014 58.023 58.100 -0.151 0.000 1.129 421 Y CB 1.100 39.471 38.460 -0.149 0.000 1.185 421 Y HN 0.731 nan 8.280 nan 0.000 0.476 422 Q N 6.577 126.003 119.800 -0.623 0.000 2.309 422 Q HA 0.265 4.605 4.340 -0.001 0.000 0.270 422 Q C 0.522 176.274 176.000 -0.414 0.000 1.023 422 Q CA -0.753 54.886 55.803 -0.273 0.000 0.758 422 Q CB 1.237 29.942 28.738 -0.056 0.000 1.247 422 Q HN 0.994 nan 8.270 nan 0.000 0.455 423 R N 1.119 121.557 120.500 -0.104 0.000 2.092 423 R HA 0.070 4.410 4.340 -0.001 0.000 0.231 423 R C 0.520 176.851 176.300 0.051 0.000 1.119 423 R CA 0.754 56.851 56.100 -0.004 0.000 0.970 423 R CB 0.182 30.526 30.300 0.074 0.000 0.864 423 R HN 0.248 nan 8.270 nan 0.000 0.440 424 S N -0.226 115.534 115.700 0.099 0.000 2.647 424 S HA 0.444 4.914 4.470 -0.001 0.000 0.300 424 S C -1.424 173.250 174.600 0.123 0.000 1.129 424 S CA -0.873 57.436 58.200 0.182 0.000 1.029 424 S CB 1.550 64.903 63.200 0.256 0.000 1.007 424 S HN 0.351 nan 8.310 nan 0.000 0.484 425 C N 4.177 123.459 119.300 -0.030 0.000 2.386 425 C HA 0.460 4.920 4.460 -0.001 0.000 0.318 425 C C -0.269 174.360 174.990 -0.603 0.000 1.128 425 C CA -1.024 57.889 59.018 -0.174 0.000 1.438 425 C CB -0.174 27.498 27.740 -0.114 0.000 1.987 425 C HN 0.935 nan 8.230 nan 0.000 0.426 426 D N 3.366 123.549 120.400 -0.362 0.000 2.339 426 D HA 0.221 4.861 4.640 -0.001 0.000 0.241 426 D C 1.192 177.481 176.300 -0.018 0.000 1.183 426 D CA -0.272 53.578 54.000 -0.249 0.000 0.859 426 D CB 0.726 41.635 40.800 0.182 0.000 1.067 426 D HN 0.339 nan 8.370 nan 0.000 0.484 427 M N 3.001 122.589 119.600 -0.019 0.000 2.374 427 M HA 0.082 4.562 4.480 -0.001 0.000 0.264 427 M C 1.906 178.334 176.300 0.212 0.000 1.067 427 M CA 0.749 56.108 55.300 0.098 0.000 1.103 427 M CB -0.879 31.708 32.600 -0.021 0.000 1.402 427 M HN 0.580 nan 8.290 nan 0.000 0.444 428 G N -0.420 108.488 108.800 0.179 0.000 2.408 428 G HA2 0.065 4.025 3.960 -0.001 0.000 0.215 428 G HA3 0.065 4.025 3.960 -0.001 0.000 0.215 428 G C 1.461 176.443 174.900 0.137 0.000 1.156 428 G CA 0.654 45.843 45.100 0.150 0.000 0.793 428 G HN 0.436 nan 8.290 nan 0.000 0.535 429 L N -1.510 119.803 121.223 0.151 0.000 2.598 429 L HA 0.487 4.827 4.340 -0.001 0.000 0.205 429 L C 2.418 179.365 176.870 0.128 0.000 1.054 429 L CA 1.513 56.429 54.840 0.126 0.000 0.934 429 L CB -0.503 41.608 42.059 0.087 0.000 1.704 429 L HN 0.037 nan 8.230 nan 0.000 0.491 430 G N 0.087 108.955 108.800 0.113 0.000 2.402 430 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.216 430 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.216 430 G C 1.306 176.302 174.900 0.159 0.000 1.162 430 G CA 1.235 46.396 45.100 0.101 0.000 0.777 430 G HN 0.233 nan 8.290 nan 0.000 0.539 431 V N 2.006 122.013 119.914 0.156 0.000 2.270 431 V HA -0.074 4.045 4.120 -0.001 0.000 0.245 431 V C 0.196 176.324 176.094 0.056 0.000 1.043 431 V CA 2.123 64.516 62.300 0.154 0.000 1.014 431 V CB -0.953 31.013 31.823 0.238 0.000 0.645 431 V HN 0.286 nan 8.190 nan 0.000 0.447 432 P HA -0.145 nan 4.420 nan 0.000 0.218 432 P C 1.659 178.925 177.300 -0.058 0.000 1.149 432 P CA 1.279 64.321 63.100 -0.097 0.000 0.817 432 P CB -0.106 31.546 31.700 -0.080 0.000 0.785 433 F N 0.977 120.884 119.950 -0.072 0.000 2.102 433 F HA -0.186 4.341 4.527 -0.001 0.000 0.298 433 F C 1.947 177.690 175.800 -0.095 0.000 1.105 433 F CA 1.637 59.601 58.000 -0.059 0.000 1.239 433 F CB -0.641 38.352 39.000 -0.012 0.000 0.991 433 F HN -0.156 nan 8.300 nan 0.000 0.474 434 N N 0.651 119.450 118.700 0.165 0.000 2.188 434 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 434 N C 2.055 177.495 175.510 -0.117 0.000 1.018 434 N CA 1.512 54.589 53.050 0.044 0.000 0.858 434 N CB -0.418 38.078 38.487 0.016 0.000 0.989 434 N HN 0.352 nan 8.380 nan 0.000 0.426 435 I N 1.192 121.571 120.570 -0.318 0.000 2.208 435 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 435 I C 2.245 178.146 176.117 -0.360 0.000 1.097 435 I CA 1.198 62.201 61.300 -0.495 0.000 1.363 435 I CB -0.194 37.351 38.000 -0.758 0.000 1.051 435 I HN 0.073 nan 8.210 nan 0.000 0.413 436 A N -0.637 121.998 122.820 -0.308 0.000 1.930 436 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 436 A C 2.458 179.962 177.584 -0.133 0.000 1.175 436 A CA 1.846 53.749 52.037 -0.224 0.000 0.627 436 A CB -0.623 18.250 19.000 -0.212 0.000 0.815 436 A HN 0.345 nan 8.150 nan 0.000 0.443 437 S N -1.572 114.040 115.700 -0.147 0.000 2.368 437 S HA -0.146 4.323 4.470 -0.001 0.000 0.225 437 S C 1.675 176.225 174.600 -0.084 0.000 1.030 437 S CA 1.583 59.722 58.200 -0.101 0.000 0.999 437 S CB -0.437 62.765 63.200 0.002 0.000 0.844 437 S HN 0.697 nan 8.310 nan 0.000 0.459 438 Y N 0.785 121.059 120.300 -0.043 0.000 2.517 438 Y HA 0.330 4.879 4.550 -0.001 0.000 0.281 438 Y C 2.206 178.105 175.900 -0.002 0.000 1.125 438 Y CA 0.104 58.210 58.100 0.011 0.000 1.283 438 Y CB -0.413 38.029 38.460 -0.032 0.000 1.042 438 Y HN 0.250 nan 8.280 nan 0.000 0.547 439 A N 0.132 122.975 122.820 0.038 0.000 1.855 439 A HA -0.144 4.176 4.320 -0.001 0.000 0.215 439 A C 2.206 179.816 177.584 0.042 0.000 1.191 439 A CA 1.276 53.307 52.037 -0.010 0.000 0.613 439 A CB -0.923 17.996 19.000 -0.135 0.000 0.829 439 A HN 0.456 nan 8.150 nan 0.000 0.442 440 L N -0.906 120.350 121.223 0.056 0.000 2.017 440 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 440 L C 2.559 179.485 176.870 0.093 0.000 1.073 440 L CA 1.884 56.786 54.840 0.103 0.000 0.745 440 L CB -0.354 41.759 42.059 0.091 0.000 0.894 440 L HN 0.485 nan 8.230 nan 0.000 0.432 441 L N -0.203 121.056 121.223 0.061 0.000 1.971 441 L HA -0.254 4.085 4.340 -0.001 0.000 0.215 441 L C 2.418 179.382 176.870 0.156 0.000 1.072 441 L CA 2.590 57.481 54.840 0.086 0.000 0.758 441 L CB -1.061 41.007 42.059 0.015 0.000 0.889 441 L HN 0.214 nan 8.230 nan 0.000 0.433 442 T N 0.032 114.716 114.554 0.217 0.000 2.759 442 T HA -0.183 4.167 4.350 -0.001 0.000 0.269 442 T C 1.998 176.792 174.700 0.157 0.000 1.042 442 T CA 2.000 64.268 62.100 0.280 0.000 1.140 442 T CB -0.423 68.613 68.868 0.279 0.000 0.864 442 T HN 0.357 nan 8.240 nan 0.000 0.455 443 I N 0.530 121.176 120.570 0.126 0.000 2.179 443 I HA -0.135 4.035 4.170 -0.001 0.000 0.242 443 I C 2.269 178.423 176.117 0.062 0.000 1.088 443 I CA 1.216 62.587 61.300 0.118 0.000 1.357 443 I CB -0.367 37.733 38.000 0.167 0.000 1.051 443 I HN 0.201 nan 8.210 nan 0.000 0.409 444 L N 0.135 121.383 121.223 0.041 0.000 2.027 444 L HA -0.209 4.131 4.340 -0.001 0.000 0.206 444 L C 2.515 179.326 176.870 -0.098 0.000 1.074 444 L CA 1.055 55.842 54.840 -0.088 0.000 0.745 444 L CB -0.507 41.505 42.059 -0.077 0.000 0.898 444 L HN 0.217 nan 8.230 nan 0.000 0.433 445 I N 0.304 120.839 120.570 -0.058 0.000 2.286 445 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 445 I C 2.843 178.878 176.117 -0.137 0.000 1.115 445 I CA 1.455 62.673 61.300 -0.138 0.000 1.392 445 I CB -1.452 36.387 38.000 -0.268 0.000 1.065 445 I HN 0.193 nan 8.210 nan 0.000 0.418 446 A N 1.334 124.111 122.820 -0.073 0.000 1.883 446 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 446 A C 2.364 179.905 177.584 -0.072 0.000 1.186 446 A CA 1.624 53.630 52.037 -0.052 0.000 0.624 446 A CB -0.526 18.477 19.000 0.006 0.000 0.822 446 A HN 0.359 nan 8.150 nan 0.000 0.444 447 K N -0.359 119.981 120.400 -0.100 0.000 2.103 447 K HA -0.093 4.226 4.320 -0.001 0.000 0.207 447 K C 2.171 178.703 176.600 -0.113 0.000 1.048 447 K CA 1.181 57.385 56.287 -0.138 0.000 0.930 447 K CB -0.332 32.005 32.500 -0.272 0.000 0.716 447 K HN 0.454 nan 8.250 nan 0.000 0.444 448 A N 1.169 123.923 122.820 -0.109 0.000 2.066 448 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 448 A C 1.987 179.523 177.584 -0.080 0.000 1.157 448 A CA 1.764 53.752 52.037 -0.082 0.000 0.670 448 A CB -0.394 18.561 19.000 -0.076 0.000 0.804 448 A HN 0.455 nan 8.150 nan 0.000 0.453 449 T N -5.748 108.752 114.554 -0.091 0.000 3.040 449 T HA 0.434 4.784 4.350 -0.001 0.000 0.266 449 T C 1.170 175.830 174.700 -0.065 0.000 1.005 449 T CA 0.989 63.039 62.100 -0.084 0.000 0.906 449 T CB 0.237 69.039 68.868 -0.111 0.000 1.082 449 T HN 1.628 nan 8.240 nan 0.000 0.531 450 G N 1.521 110.285 108.800 -0.060 0.000 2.176 450 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.252 450 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.252 450 G C -0.204 174.676 174.900 -0.034 0.000 1.024 450 G CA 0.338 45.410 45.100 -0.045 0.000 0.755 450 G HN 0.649 nan 8.290 nan 0.000 0.507 451 L N -0.205 120.998 121.223 -0.034 0.000 2.334 451 L HA 0.725 5.065 4.340 -0.001 0.000 0.270 451 L C 1.198 178.069 176.870 0.000 0.000 1.018 451 L CA -1.440 53.392 54.840 -0.015 0.000 0.811 451 L CB 1.224 43.274 42.059 -0.015 0.000 1.271 451 L HN 0.351 nan 8.230 nan 0.000 0.443 452 R N 1.154 121.665 120.500 0.019 0.000 2.457 452 R HA 0.507 4.847 4.340 -0.001 0.000 0.284 452 R C -2.724 173.609 176.300 0.055 0.000 1.024 452 R CA -1.906 54.216 56.100 0.037 0.000 1.025 452 R CB 0.489 30.814 30.300 0.041 0.000 1.063 452 R HN 0.230 nan 8.270 nan 0.000 0.493 453 P HA 0.009 nan 4.420 nan 0.000 0.268 453 P C -0.400 176.953 177.300 0.088 0.000 1.205 453 P CA 0.105 63.257 63.100 0.086 0.000 0.771 453 P CB 1.274 33.028 31.700 0.090 0.000 0.858 454 G N 2.253 111.116 108.800 0.105 0.000 2.930 454 G HA2 0.205 4.165 3.960 -0.001 0.000 0.209 454 G HA3 0.205 4.165 3.960 -0.001 0.000 0.209 454 G C -0.699 174.259 174.900 0.096 0.000 2.018 454 G CA 0.057 45.219 45.100 0.103 0.000 0.751 454 G HN 0.540 nan 8.290 nan 0.000 0.770 455 E N -0.473 119.791 120.200 0.106 0.000 2.238 455 E HA 0.525 4.874 4.350 -0.001 0.000 0.267 455 E C -1.468 175.193 176.600 0.102 0.000 0.887 455 E CA -0.637 55.818 56.400 0.090 0.000 0.769 455 E CB 2.165 31.903 29.700 0.063 0.000 1.187 455 E HN 0.153 nan 8.360 nan 0.000 0.416 456 L N 5.298 126.593 121.223 0.121 0.000 2.280 456 L HA 0.461 4.801 4.340 -0.001 0.000 0.287 456 L C -1.342 175.625 176.870 0.162 0.000 1.023 456 L CA -0.684 54.232 54.840 0.126 0.000 0.819 456 L CB 1.291 43.414 42.059 0.106 0.000 1.212 456 L HN 0.391 nan 8.230 nan 0.000 0.420 457 V N 4.939 124.908 119.914 0.091 0.000 2.427 457 V HA 0.352 4.472 4.120 -0.001 0.000 0.286 457 V C -0.123 176.042 176.094 0.118 0.000 1.034 457 V CA -0.645 61.703 62.300 0.080 0.000 0.893 457 V CB 1.459 33.277 31.823 -0.008 0.000 0.982 457 V HN 0.665 nan 8.190 nan 0.000 0.452 458 H N 2.914 122.001 119.070 0.028 0.000 2.587 458 H HA 0.415 4.971 4.556 -0.001 0.000 0.325 458 H C -0.862 174.431 175.328 -0.060 0.000 1.012 458 H CA -0.482 55.558 56.048 -0.013 0.000 1.213 458 H CB 1.414 31.227 29.762 0.085 0.000 1.431 458 H HN 0.666 nan 8.280 nan 0.000 0.492 459 T N 6.614 120.966 114.554 -0.336 0.000 2.767 459 T HA 0.286 4.635 4.350 -0.001 0.000 0.288 459 T C -0.200 174.080 174.700 -0.700 0.000 0.963 459 T CA -0.597 61.264 62.100 -0.399 0.000 1.019 459 T CB 0.697 69.465 68.868 -0.166 0.000 0.923 459 T HN 0.325 nan 8.240 nan 0.000 0.468 460 L N 2.575 123.443 121.223 -0.590 0.000 2.317 460 L HA 0.633 4.973 4.340 -0.001 0.000 0.281 460 L C 1.222 177.815 176.870 -0.461 0.000 1.024 460 L CA -0.199 54.318 54.840 -0.539 0.000 0.810 460 L CB 1.479 43.318 42.059 -0.366 0.000 1.240 460 L HN 0.787 nan 8.230 nan 0.000 0.427 461 G N 0.319 108.879 108.800 -0.399 0.000 2.542 461 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.211 461 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.211 461 G C -0.112 174.847 174.900 0.098 0.000 1.702 461 G CA 0.023 45.016 45.100 -0.178 0.000 0.935 461 G HN 0.570 nan 8.290 nan 0.000 0.509 462 D N 1.889 122.417 120.400 0.213 0.000 2.483 462 D HA 0.459 5.099 4.640 -0.001 0.000 0.220 462 D C 0.134 176.537 176.300 0.171 0.000 1.173 462 D CA -0.297 53.859 54.000 0.261 0.000 0.964 462 D CB 0.244 41.183 40.800 0.230 0.000 1.046 462 D HN 0.267 nan 8.370 nan 0.000 0.517 463 A N 5.239 128.096 122.820 0.060 0.000 2.347 463 A HA 0.408 4.728 4.320 -0.001 0.000 0.287 463 A C 0.003 177.575 177.584 -0.021 0.000 1.199 463 A CA -0.368 51.632 52.037 -0.062 0.000 0.851 463 A CB 0.189 19.141 19.000 -0.080 0.000 1.118 463 A HN 0.712 nan 8.150 nan 0.000 0.525 464 H N -0.155 118.884 119.070 -0.052 0.000 2.928 464 H HA 0.769 5.325 4.556 -0.001 0.000 0.371 464 H C -1.793 173.474 175.328 -0.102 0.000 1.186 464 H CA -1.128 54.854 56.048 -0.110 0.000 1.134 464 H CB 1.297 30.940 29.762 -0.198 0.000 1.824 464 H HN 0.307 nan 8.280 nan 0.000 0.554 465 V N 1.932 121.861 119.914 0.026 0.000 2.604 465 V HA 0.161 4.280 4.120 -0.001 0.000 0.305 465 V C -0.883 175.220 176.094 0.014 0.000 1.043 465 V CA -0.792 61.541 62.300 0.055 0.000 0.888 465 V CB 1.613 33.469 31.823 0.055 0.000 0.995 465 V HN 0.623 nan 8.190 nan 0.000 0.429 466 Y N 2.093 122.490 120.300 0.161 0.000 2.425 466 Y HA 0.064 4.614 4.550 -0.001 0.000 0.331 466 Y C 1.887 177.785 175.900 -0.004 0.000 1.157 466 Y CA 0.795 58.911 58.100 0.028 0.000 1.372 466 Y CB 1.235 39.619 38.460 -0.128 0.000 1.253 466 Y HN 0.724 nan 8.280 nan 0.000 0.536 467 S N 1.991 117.756 115.700 0.107 0.000 2.372 467 S HA -0.317 4.153 4.470 -0.001 0.000 0.227 467 S C 1.808 176.447 174.600 0.064 0.000 1.044 467 S CA 2.156 60.391 58.200 0.057 0.000 1.050 467 S CB -0.398 62.822 63.200 0.032 0.000 0.901 467 S HN 0.931 nan 8.310 nan 0.000 0.447 468 N N 0.499 119.220 118.700 0.035 0.000 2.309 468 N HA -0.123 4.617 4.740 -0.001 0.000 0.182 468 N C 1.088 176.663 175.510 0.109 0.000 1.018 468 N CA 1.547 54.608 53.050 0.019 0.000 0.876 468 N CB -0.890 37.565 38.487 -0.053 0.000 0.972 468 N HN 0.605 nan 8.380 nan 0.000 0.434 469 H N -1.036 118.099 119.070 0.108 0.000 2.556 469 H HA 0.183 4.739 4.556 -0.001 0.000 0.268 469 H C 1.168 176.539 175.328 0.072 0.000 0.996 469 H CA -0.186 55.920 56.048 0.097 0.000 1.157 469 H CB 0.496 30.345 29.762 0.146 0.000 1.355 469 H HN 0.057 nan 8.280 nan 0.000 0.597 470 V N 0.800 120.813 119.914 0.165 0.000 2.307 470 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 470 V C 2.186 178.323 176.094 0.070 0.000 1.045 470 V CA 1.621 63.978 62.300 0.095 0.000 1.024 470 V CB -0.171 31.689 31.823 0.061 0.000 0.651 470 V HN 0.493 nan 8.190 nan 0.000 0.449 471 E N 0.150 120.391 120.200 0.069 0.000 2.038 471 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 471 E C 0.253 176.880 176.600 0.044 0.000 1.000 471 E CA 2.008 58.437 56.400 0.049 0.000 0.803 471 E CB -1.800 27.928 29.700 0.046 0.000 0.750 471 E HN 0.532 nan 8.360 nan 0.000 0.448 472 P HA -0.105 nan 4.420 nan 0.000 0.216 472 P C 1.621 178.934 177.300 0.022 0.000 1.150 472 P CA 1.022 64.143 63.100 0.035 0.000 0.837 472 P CB -0.211 31.510 31.700 0.035 0.000 0.786 473 C N -0.359 118.962 119.300 0.035 0.000 2.413 473 C HA -0.094 4.365 4.460 -0.001 0.000 0.276 473 C C 2.677 177.672 174.990 0.008 0.000 1.236 473 C CA 1.241 60.273 59.018 0.024 0.000 1.735 473 C CB -2.029 25.733 27.740 0.036 0.000 2.031 473 C HN 0.258 nan 8.230 nan 0.000 0.474 474 N N 0.779 119.485 118.700 0.010 0.000 2.149 474 N HA -0.109 4.631 4.740 -0.001 0.000 0.188 474 N C 1.685 177.190 175.510 -0.008 0.000 1.019 474 N CA 1.181 54.231 53.050 0.000 0.000 0.857 474 N CB -0.452 38.038 38.487 0.006 0.000 0.997 474 N HN 0.570 nan 8.380 nan 0.000 0.426 475 E N 0.696 120.892 120.200 -0.007 0.000 2.072 475 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 475 E C 1.856 178.429 176.600 -0.045 0.000 0.985 475 E CA 0.579 56.968 56.400 -0.018 0.000 0.801 475 E CB -0.309 29.385 29.700 -0.009 0.000 0.750 475 E HN 0.542 nan 8.360 nan 0.000 0.452 476 Q N 0.547 120.323 119.800 -0.040 0.000 2.124 476 Q HA -0.098 4.241 4.340 -0.001 0.000 0.202 476 Q C 2.334 178.295 176.000 -0.065 0.000 0.977 476 Q CA 0.771 56.536 55.803 -0.064 0.000 0.850 476 Q CB -0.046 28.683 28.738 -0.014 0.000 0.901 476 Q HN 0.240 nan 8.270 nan 0.000 0.429 477 L N 0.464 121.667 121.223 -0.034 0.000 2.191 477 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 477 L C 2.161 179.008 176.870 -0.039 0.000 1.103 477 L CA 1.140 55.964 54.840 -0.028 0.000 0.769 477 L CB -0.261 41.784 42.059 -0.023 0.000 0.908 477 L HN 0.164 nan 8.230 nan 0.000 0.438 478 K N -0.052 120.319 120.400 -0.050 0.000 2.439 478 K HA -0.006 4.314 4.320 -0.001 0.000 0.197 478 K C 0.567 177.123 176.600 -0.073 0.000 1.041 478 K CA 0.230 56.489 56.287 -0.046 0.000 0.970 478 K CB 0.032 32.512 32.500 -0.034 0.000 0.773 478 K HN 0.315 nan 8.250 nan 0.000 0.479 479 R N 1.195 121.609 120.500 -0.144 0.000 2.490 479 R HA 0.156 4.496 4.340 -0.001 0.000 0.280 479 R C -0.368 175.858 176.300 -0.123 0.000 1.077 479 R CA -0.292 55.653 56.100 -0.258 0.000 1.065 479 R CB 1.108 31.023 30.300 -0.640 0.000 1.003 479 R HN -0.157 nan 8.270 nan 0.000 0.470 480 V N 5.710 125.611 119.914 -0.022 0.000 2.406 480 V HA 0.171 4.291 4.120 -0.001 0.000 0.272 480 V C -1.964 174.210 176.094 0.133 0.000 1.043 480 V CA -1.951 60.384 62.300 0.058 0.000 0.915 480 V CB 1.341 33.214 31.823 0.084 0.000 0.988 480 V HN 0.659 nan 8.190 nan 0.000 0.466 481 P HA 0.223 nan 4.420 nan 0.000 0.267 481 P C -0.266 177.053 177.300 0.032 0.000 1.205 481 P CA 0.035 63.178 63.100 0.072 0.000 0.765 481 P CB 0.507 32.201 31.700 -0.010 0.000 0.828 482 R N 1.838 122.369 120.500 0.051 0.000 2.549 482 R HA 0.699 5.039 4.340 -0.001 0.000 0.259 482 R C 0.364 176.580 176.300 -0.139 0.000 1.095 482 R CA -0.950 55.133 56.100 -0.028 0.000 1.148 482 R CB 0.515 30.806 30.300 -0.015 0.000 1.181 482 R HN 0.448 nan 8.270 nan 0.000 0.571 483 A N 0.881 123.624 122.820 -0.128 0.000 2.346 483 A HA 0.317 4.636 4.320 -0.001 0.000 0.252 483 A C -0.664 176.861 177.584 -0.098 0.000 1.089 483 A CA -0.155 51.770 52.037 -0.187 0.000 0.797 483 A CB 0.058 19.012 19.000 -0.076 0.000 1.047 483 A HN 0.404 nan 8.150 nan 0.000 0.494 484 F N 1.425 121.360 119.950 -0.025 0.000 2.399 484 F HA 0.388 4.915 4.527 -0.000 0.000 0.342 484 F C -1.249 174.461 175.800 -0.151 0.000 1.106 484 F CA -2.160 55.786 58.000 -0.090 0.000 1.196 484 F CB 0.317 39.219 39.000 -0.164 0.000 1.163 484 F HN 0.381 nan 8.300 nan 0.000 0.547 485 P HA 0.147 nan 4.420 nan 0.000 0.286 485 P C -1.443 175.697 177.300 -0.267 0.000 1.293 485 P CA -0.020 63.065 63.100 -0.024 0.000 0.770 485 P CB 0.774 32.426 31.700 -0.080 0.000 1.206 486 Y N -1.944 118.286 120.300 -0.117 0.000 2.536 486 Y HA 0.455 5.005 4.550 -0.001 0.000 0.347 486 Y C 0.099 175.861 175.900 -0.229 0.000 1.000 486 Y CA -1.013 57.007 58.100 -0.133 0.000 1.051 486 Y CB 1.682 40.109 38.460 -0.055 0.000 1.259 486 Y HN 0.078 nan 8.280 nan 0.000 0.468 487 L N 2.997 124.168 121.223 -0.087 0.000 2.275 487 L HA 0.676 5.016 4.340 -0.001 0.000 0.288 487 L C -1.167 175.607 176.870 -0.159 0.000 1.046 487 L CA -0.524 54.170 54.840 -0.243 0.000 0.805 487 L CB 0.922 42.791 42.059 -0.316 0.000 1.193 487 L HN 0.413 nan 8.230 nan 0.000 0.426 488 V N 5.913 125.700 119.914 -0.212 0.000 2.407 488 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 488 V C -0.469 175.523 176.094 -0.170 0.000 1.018 488 V CA -0.543 61.699 62.300 -0.097 0.000 0.842 488 V CB 1.223 33.033 31.823 -0.021 0.000 0.996 488 V HN 0.452 nan 8.190 nan 0.000 0.426 489 F N 4.852 124.837 119.950 0.058 0.000 2.444 489 F HA 0.421 4.948 4.527 -0.000 0.000 0.360 489 F C 1.606 177.457 175.800 0.084 0.000 1.106 489 F CA -0.290 57.762 58.000 0.086 0.000 1.170 489 F CB 0.923 39.981 39.000 0.096 0.000 1.113 489 F HN 0.418 nan 8.300 nan 0.000 0.521 490 R N 2.444 123.074 120.500 0.217 0.000 2.246 490 R HA 0.110 4.450 4.340 -0.001 0.000 0.199 490 R C 0.452 176.844 176.300 0.153 0.000 0.984 490 R CA 0.317 56.506 56.100 0.148 0.000 1.015 490 R CB 0.107 30.467 30.300 0.100 0.000 0.930 490 R HN 0.660 nan 8.270 nan 0.000 0.475 491 R N -0.169 120.455 120.500 0.207 0.000 2.795 491 R HA 0.401 4.741 4.340 -0.001 0.000 0.268 491 R C -1.043 175.382 176.300 0.208 0.000 1.041 491 R CA -0.861 55.335 56.100 0.159 0.000 0.927 491 R CB 1.427 31.788 30.300 0.100 0.000 1.235 491 R HN -0.299 nan 8.270 nan 0.000 0.463 492 E N 0.735 120.993 120.200 0.096 0.000 2.320 492 E HA 0.525 4.874 4.350 -0.001 0.000 0.264 492 E C -0.700 175.800 176.600 -0.167 0.000 0.923 492 E CA -1.119 55.311 56.400 0.050 0.000 0.796 492 E CB 1.771 31.492 29.700 0.036 0.000 1.262 492 E HN 0.401 nan 8.360 nan 0.000 0.428 493 R N 0.642 120.915 120.500 -0.379 0.000 2.854 493 R HA 0.264 4.604 4.340 -0.001 0.000 0.271 493 R C 0.768 176.905 176.300 -0.271 0.000 0.994 493 R CA -0.594 55.230 56.100 -0.459 0.000 0.945 493 R CB 1.308 31.048 30.300 -0.934 0.000 1.194 493 R HN 0.674 nan 8.270 nan 0.000 0.476 494 E N 0.543 120.594 120.200 -0.248 0.000 2.158 494 E HA 0.025 4.375 4.350 -0.001 0.000 0.191 494 E C -0.531 175.681 176.600 -0.647 0.000 0.982 494 E CA 0.998 57.139 56.400 -0.432 0.000 0.823 494 E CB 0.317 29.728 29.700 -0.482 0.000 0.766 494 E HN 0.288 nan 8.360 nan 0.000 0.468 495 F N -0.325 119.588 119.950 -0.062 0.000 2.551 495 F HA 0.189 4.716 4.527 -0.001 0.000 0.316 495 F C 0.560 176.390 175.800 0.049 0.000 1.089 495 F CA -0.913 57.084 58.000 -0.005 0.000 0.915 495 F CB 1.438 40.437 39.000 -0.002 0.000 1.186 495 F HN -0.156 nan 8.300 nan 0.000 0.456 496 L N 1.765 123.165 121.223 0.295 0.000 2.079 496 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 496 L C 1.809 178.885 176.870 0.344 0.000 1.081 496 L CA 2.133 57.172 54.840 0.332 0.000 0.752 496 L CB -0.500 41.668 42.059 0.182 0.000 0.896 496 L HN 0.660 nan 8.230 nan 0.000 0.433 497 E N -0.338 120.009 120.200 0.246 0.000 2.268 497 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 497 E C 1.469 178.169 176.600 0.167 0.000 0.995 497 E CA 1.039 57.548 56.400 0.182 0.000 0.836 497 E CB -0.209 29.560 29.700 0.115 0.000 0.763 497 E HN 0.527 nan 8.360 nan 0.000 0.491 498 D N -0.755 119.735 120.400 0.150 0.000 2.349 498 D HA -0.053 4.587 4.640 -0.001 0.000 0.224 498 D C -0.480 175.808 176.300 -0.021 0.000 1.029 498 D CA 0.230 54.259 54.000 0.049 0.000 0.879 498 D CB -0.081 40.738 40.800 0.032 0.000 0.906 498 D HN 0.225 nan 8.370 nan 0.000 0.528 499 Y N 2.104 122.464 120.300 0.101 0.000 2.605 499 Y HA 0.056 4.606 4.550 -0.000 0.000 0.336 499 Y C 1.162 177.117 175.900 0.092 0.000 1.111 499 Y CA 0.154 58.319 58.100 0.108 0.000 1.422 499 Y CB 0.267 38.807 38.460 0.133 0.000 1.193 499 Y HN -0.164 nan 8.280 nan 0.000 0.526 500 E N 2.206 122.521 120.200 0.193 0.000 2.283 500 E HA 0.034 4.383 4.350 -0.001 0.000 0.267 500 E C 0.828 177.516 176.600 0.147 0.000 1.045 500 E CA -0.681 55.798 56.400 0.132 0.000 0.884 500 E CB 1.052 30.802 29.700 0.083 0.000 1.106 500 E HN 0.627 nan 8.360 nan 0.000 0.408 501 E N 2.041 122.283 120.200 0.069 0.000 2.160 501 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 501 E C 1.752 178.400 176.600 0.081 0.000 0.991 501 E CA 1.359 57.778 56.400 0.032 0.000 0.810 501 E CB -0.291 29.370 29.700 -0.065 0.000 0.742 501 E HN 0.810 nan 8.360 nan 0.000 0.466 502 G N 0.871 109.719 108.800 0.080 0.000 2.479 502 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 502 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 502 G C 1.142 176.110 174.900 0.113 0.000 1.115 502 G CA 0.840 45.992 45.100 0.085 0.000 0.757 502 G HN 0.251 nan 8.290 nan 0.000 0.560 503 D N 0.275 120.773 120.400 0.163 0.000 2.219 503 D HA -0.005 4.635 4.640 -0.001 0.000 0.205 503 D C 1.637 178.063 176.300 0.210 0.000 0.970 503 D CA 0.686 54.825 54.000 0.231 0.000 0.851 503 D CB -0.037 40.995 40.800 0.386 0.000 0.943 503 D HN 0.510 nan 8.370 nan 0.000 0.488 504 M N -0.554 119.118 119.600 0.119 0.000 2.383 504 M HA 0.510 4.990 4.480 -0.001 0.000 0.325 504 M C -0.690 175.597 176.300 -0.021 0.000 1.092 504 M CA -0.644 54.612 55.300 -0.074 0.000 0.961 504 M CB 3.064 35.468 32.600 -0.327 0.000 1.672 504 M HN -0.349 nan 8.290 nan 0.000 0.438 505 E N 2.653 122.799 120.200 -0.089 0.000 2.165 505 E HA 0.485 4.834 4.350 -0.001 0.000 0.266 505 E C -1.532 174.969 176.600 -0.165 0.000 0.889 505 E CA -0.796 55.565 56.400 -0.065 0.000 0.756 505 E CB 2.373 32.062 29.700 -0.018 0.000 1.131 505 E HN 0.728 nan 8.360 nan 0.000 0.411 506 V N 6.516 126.281 119.914 -0.248 0.000 2.455 506 V HA 0.161 4.281 4.120 -0.001 0.000 0.273 506 V C 0.370 176.372 176.094 -0.153 0.000 1.045 506 V CA -0.178 61.902 62.300 -0.367 0.000 0.976 506 V CB 0.014 31.424 31.823 -0.688 0.000 0.993 506 V HN 0.506 nan 8.190 nan 0.000 0.475 507 I N 1.472 121.997 120.570 -0.076 0.000 2.377 507 I HA 0.622 4.792 4.170 -0.001 0.000 0.293 507 I C 0.120 176.278 176.117 0.067 0.000 0.987 507 I CA -0.372 60.936 61.300 0.013 0.000 1.185 507 I CB 1.286 39.305 38.000 0.033 0.000 1.341 507 I HN 0.561 nan 8.210 nan 0.000 0.455 508 D N 3.198 123.640 120.400 0.071 0.000 2.775 508 D HA -0.269 4.370 4.640 -0.001 0.000 0.235 508 D C -0.959 175.423 176.300 0.137 0.000 1.120 508 D CA 0.829 54.883 54.000 0.089 0.000 0.708 508 D CB -1.067 39.797 40.800 0.106 0.000 1.084 508 D HN 0.702 nan 8.370 nan 0.000 0.434 509 Y N 1.050 121.327 120.300 -0.038 0.000 2.535 509 Y HA 0.458 5.007 4.550 -0.000 0.000 0.349 509 Y C -0.147 175.739 175.900 -0.023 0.000 0.992 509 Y CA -1.240 56.835 58.100 -0.042 0.000 1.248 509 Y CB 0.550 38.954 38.460 -0.094 0.000 1.124 509 Y HN 0.145 nan 8.280 nan 0.000 0.520 510 A N 9.449 132.156 122.820 -0.189 0.000 2.802 510 A HA 0.521 4.841 4.320 -0.001 0.000 0.344 510 A C -2.765 174.611 177.584 -0.346 0.000 1.215 510 A CA -1.378 50.502 52.037 -0.262 0.000 0.821 510 A CB -0.244 18.673 19.000 -0.139 0.000 1.099 510 A HN 0.524 nan 8.150 nan 0.000 0.479 511 P HA 0.367 nan 4.420 nan 0.000 0.280 511 P C -0.654 176.537 177.300 -0.183 0.000 1.272 511 P CA -0.464 62.447 63.100 -0.315 0.000 0.819 511 P CB 0.540 31.987 31.700 -0.421 0.000 1.122 512 Y N 0.427 120.682 120.300 -0.077 0.000 2.480 512 Y HA 0.116 4.666 4.550 -0.001 0.000 0.338 512 Y C -1.005 174.874 175.900 -0.035 0.000 1.220 512 Y CA -0.906 57.172 58.100 -0.037 0.000 1.430 512 Y CB -0.956 37.502 38.460 -0.004 0.000 1.311 512 Y HN 0.330 nan 8.280 nan 0.000 0.575 513 P HA 0.028 nan 4.420 nan 0.000 0.271 513 P C -2.558 174.795 177.300 0.088 0.000 1.238 513 P CA -1.095 62.049 63.100 0.074 0.000 0.794 513 P CB -0.273 31.463 31.700 0.060 0.000 0.959 514 P HA 0.009 nan 4.420 nan 0.000 0.264 514 P C 0.332 177.658 177.300 0.043 0.000 1.183 514 P CA 0.141 63.266 63.100 0.043 0.000 0.763 514 P CB 0.040 31.755 31.700 0.025 0.000 0.807 515 I N 2.827 123.416 120.570 0.032 0.000 2.742 515 I HA -0.054 4.116 4.170 -0.001 0.000 0.287 515 I C 0.757 176.886 176.117 0.020 0.000 1.186 515 I CA 0.776 62.088 61.300 0.020 0.000 1.417 515 I CB -0.020 37.982 38.000 0.004 0.000 1.377 515 I HN 0.318 nan 8.210 nan 0.000 0.556 516 S N 0.000 115.714 115.700 0.023 0.000 2.498 516 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 516 S CA 0.000 58.214 58.200 0.022 0.000 1.107 516 S CB 0.000 63.215 63.200 0.024 0.000 0.593 516 S HN 0.000 nan 8.310 nan 0.000 0.517