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 3dpm_1_A DATA FIRST_RESID 33 DATA SEQUENCE SLVCKNALQD LSFLEHLLQV KYAPKTWKEQ YLGWDLVQSS VSAQQKLRTQ DATA SEQUENCE ENPSTSFCQQ VLADFIGGLN DFHAGVTFFA IESAYLPYTV QKSSDGRFYF DATA SEQUENCE VDIMTFSSEI RVGDELLEVD GAPVQDVLAT LYGSNHKGTA AEESAALRTL DATA SEQUENCE FSRMASLGHK VPSGRTTLKI RRPFGTTREV RVKWRYVPEG VGDLATIAPS DATA SEQUENCE IRAPQLQXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XGYNIGSTDG FLPVIGPVIW ESEGLFRAYI SSVTDGDGKS HKVGFLRIPT DATA SEQUENCE YSWQDMEDFD PSGPPPWEEF AKIIQVFSSN TEALIIDQTN NPGGSVLYLY DATA SEQUENCE ALLSMLTDRP LELPKHRMIL TQDEVVDALD WLTLLENVDT NVESRLALGD DATA SEQUENCE NMEGYTVDLQ VAEYLKSFGR QVLNCWSKGD IELSTPIPLF GFEKIHPHPR DATA SEQUENCE VQYSKPICVL INEQDFSCAD FFPVVLKDND RALIVGTRTA GAGGFVFNVQ DATA SEQUENCE FPNRTGIKTC SLTGSLAVRE HGAFIENIGV EPHIDLPFTA NDIRYKGYSE DATA SEQUENCE YLDKVKKLVC QLINND 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 33 S HA 0.000 nan 4.470 nan 0.000 0.327 33 S C 0.000 174.611 174.600 0.019 0.000 1.055 33 S CA 0.000 58.206 58.200 0.011 0.000 1.107 33 S CB 0.000 63.205 63.200 0.009 0.000 0.593 34 L N 6.146 127.380 121.223 0.017 0.000 2.013 34 L HA 0.040 4.968 4.340 0.980 0.000 0.212 34 L C 2.434 179.323 176.870 0.031 0.000 1.073 34 L CA 2.826 57.678 54.840 0.022 0.000 0.753 34 L CB -0.698 41.371 42.059 0.017 0.000 0.890 34 L HN 0.800 nan 8.230 nan 0.000 0.432 35 V N -1.102 118.833 119.914 0.034 0.000 2.490 35 V HA -0.317 4.391 4.120 0.980 0.000 0.250 35 V C 2.579 178.709 176.094 0.061 0.000 1.061 35 V CA 2.067 64.396 62.300 0.048 0.000 1.064 35 V CB -0.248 31.607 31.823 0.052 0.000 0.670 35 V HN 0.811 nan 8.190 nan 0.000 0.461 36 C N 0.274 119.609 119.300 0.057 0.000 2.476 36 C HA -0.071 4.977 4.460 0.980 0.000 0.278 36 C C 2.726 177.747 174.990 0.052 0.000 1.274 36 C CA 1.421 60.478 59.018 0.065 0.000 1.713 36 C CB -1.110 26.663 27.740 0.054 0.000 2.039 36 C HN 0.638 nan 8.230 nan 0.000 0.484 37 K N 0.668 121.093 120.400 0.041 0.000 2.063 37 K HA -0.147 4.761 4.320 0.980 0.000 0.208 37 K C 1.840 178.468 176.600 0.046 0.000 1.048 37 K CA 1.809 58.118 56.287 0.037 0.000 0.928 37 K CB -0.364 32.153 32.500 0.029 0.000 0.713 37 K HN 0.549 nan 8.250 nan 0.000 0.442 38 N N 0.880 119.611 118.700 0.052 0.000 2.120 38 N HA -0.140 5.188 4.740 0.980 0.000 0.188 38 N C 1.814 177.375 175.510 0.084 0.000 1.024 38 N CA 1.413 54.502 53.050 0.066 0.000 0.852 38 N CB -0.249 38.275 38.487 0.062 0.000 1.003 38 N HN 0.201 nan 8.380 nan 0.000 0.424 39 A N 1.230 124.096 122.820 0.077 0.000 1.930 39 A HA -0.030 4.878 4.320 0.980 0.000 0.217 39 A C 2.421 180.043 177.584 0.064 0.000 1.175 39 A CA 0.821 52.905 52.037 0.079 0.000 0.627 39 A CB -0.626 18.413 19.000 0.066 0.000 0.815 39 A HN 0.185 nan 8.150 nan 0.000 0.443 40 L N -1.149 120.103 121.223 0.049 0.000 2.056 40 L HA -0.184 4.744 4.340 0.980 0.000 0.207 40 L C 2.891 179.786 176.870 0.042 0.000 1.078 40 L CA 1.235 56.091 54.840 0.027 0.000 0.749 40 L CB -0.425 41.648 42.059 0.023 0.000 0.901 40 L HN 0.345 nan 8.230 nan 0.000 0.433 41 Q N 0.081 119.918 119.800 0.063 0.000 2.084 41 Q HA -0.202 4.726 4.340 0.980 0.000 0.202 41 Q C 1.779 177.859 176.000 0.133 0.000 0.978 41 Q CA 1.600 57.450 55.803 0.078 0.000 0.844 41 Q CB -0.180 28.601 28.738 0.071 0.000 0.898 41 Q HN 0.496 nan 8.270 nan 0.000 0.426 42 D N 0.089 120.594 120.400 0.176 0.000 2.224 42 D HA -0.104 5.124 4.640 0.980 0.000 0.205 42 D C 1.905 178.359 176.300 0.255 0.000 0.965 42 D CA 0.214 54.395 54.000 0.301 0.000 0.852 42 D CB 0.071 41.076 40.800 0.342 0.000 0.947 42 D HN 0.220 nan 8.370 nan 0.000 0.494 43 L N 1.348 122.642 121.223 0.119 0.000 2.056 43 L HA -0.176 4.753 4.340 0.980 0.000 0.207 43 L C 2.402 179.255 176.870 -0.028 0.000 1.078 43 L CA 1.515 56.348 54.840 -0.012 0.000 0.749 43 L CB -0.323 41.661 42.059 -0.125 0.000 0.901 43 L HN 0.042 nan 8.230 nan 0.000 0.433 44 S N -0.750 114.964 115.700 0.023 0.000 2.399 44 S HA -0.255 4.803 4.470 0.980 0.000 0.231 44 S C 1.915 176.574 174.600 0.098 0.000 1.022 44 S CA 1.075 59.297 58.200 0.036 0.000 0.983 44 S CB -0.845 62.382 63.200 0.044 0.000 0.803 44 S HN 0.496 nan 8.310 nan 0.000 0.480 45 F N 2.135 122.073 119.950 -0.019 0.000 2.206 45 F HA 0.281 5.396 4.527 0.980 0.000 0.298 45 F C 1.864 177.667 175.800 0.004 0.000 1.090 45 F CA 0.562 58.516 58.000 -0.077 0.000 1.323 45 F CB -0.323 38.499 39.000 -0.295 0.000 1.028 45 F HN 0.143 nan 8.300 nan 0.000 0.492 46 L N 0.066 121.294 121.223 0.007 0.000 2.056 46 L HA -0.206 4.722 4.340 0.980 0.000 0.207 46 L C 2.507 179.422 176.870 0.076 0.000 1.078 46 L CA 1.926 56.788 54.840 0.037 0.000 0.749 46 L CB -0.890 41.319 42.059 0.249 0.000 0.901 46 L HN 0.223 nan 8.230 nan 0.000 0.433 47 E N -0.316 119.950 120.200 0.111 0.000 2.085 47 E HA -0.322 4.616 4.350 0.980 0.000 0.194 47 E C 2.237 178.893 176.600 0.094 0.000 0.994 47 E CA 1.452 57.953 56.400 0.169 0.000 0.801 47 E CB -0.169 29.569 29.700 0.063 0.000 0.743 47 E HN 0.515 nan 8.360 nan 0.000 0.453 48 H N 0.770 119.787 119.070 -0.088 0.000 2.389 48 H HA -0.079 5.065 4.556 0.980 0.000 0.299 48 H C 2.236 177.468 175.328 -0.160 0.000 1.081 48 H CA 1.409 57.385 56.048 -0.120 0.000 1.345 48 H CB -0.062 29.605 29.762 -0.157 0.000 1.393 48 H HN 0.254 nan 8.280 nan 0.000 0.520 49 L N 0.626 121.673 121.223 -0.295 0.000 2.127 49 L HA -0.191 4.737 4.340 0.980 0.000 0.211 49 L C 2.636 179.463 176.870 -0.072 0.000 1.089 49 L CA 0.713 55.404 54.840 -0.248 0.000 0.757 49 L CB -0.256 41.655 42.059 -0.247 0.000 0.899 49 L HN 0.272 nan 8.230 nan 0.000 0.434 50 L N -0.938 120.271 121.223 -0.024 0.000 2.395 50 L HA -0.114 4.814 4.340 0.980 0.000 0.218 50 L C 2.205 179.149 176.870 0.123 0.000 1.130 50 L CA 0.552 55.433 54.840 0.067 0.000 0.826 50 L CB -0.277 41.820 42.059 0.064 0.000 0.941 50 L HN 0.364 nan 8.230 nan 0.000 0.451 51 Q N -1.037 118.761 119.800 -0.003 0.000 2.356 51 Q HA 0.058 4.986 4.340 0.980 0.000 0.205 51 Q C 1.764 177.721 176.000 -0.073 0.000 0.901 51 Q CA 0.559 56.351 55.803 -0.019 0.000 0.938 51 Q CB 0.981 29.679 28.738 -0.068 0.000 1.081 51 Q HN 0.403 nan 8.270 nan 0.000 0.517 52 V N -0.235 119.609 119.914 -0.116 0.000 2.911 52 V HA 0.099 4.807 4.120 0.980 0.000 0.237 52 V C 1.324 177.415 176.094 -0.004 0.000 1.156 52 V CA 0.621 62.862 62.300 -0.098 0.000 1.180 52 V CB 0.461 32.161 31.823 -0.206 0.000 0.932 52 V HN -0.013 nan 8.190 nan 0.000 0.483 53 K N -0.467 119.972 120.400 0.065 0.000 2.592 53 K HA 0.246 5.154 4.320 0.980 0.000 0.203 53 K C -0.928 175.884 176.600 0.353 0.000 1.070 53 K CA -0.266 56.088 56.287 0.112 0.000 1.062 53 K CB 0.908 33.340 32.500 -0.112 0.000 0.814 53 K HN 0.388 nan 8.250 nan 0.000 0.502 54 Y N 1.259 121.642 120.300 0.138 0.000 2.595 54 Y HA 0.266 5.403 4.550 0.979 0.000 0.336 54 Y C 1.120 177.050 175.900 0.050 0.000 0.996 54 Y CA -0.829 57.330 58.100 0.099 0.000 1.260 54 Y CB 0.590 39.070 38.460 0.033 0.000 1.108 54 Y HN 0.150 nan 8.280 nan 0.000 0.509 55 A N 6.737 129.371 122.820 -0.310 0.000 1.940 55 A HA -0.083 4.825 4.320 0.980 0.000 0.219 55 A C -0.813 176.556 177.584 -0.359 0.000 1.176 55 A CA 1.365 53.237 52.037 -0.276 0.000 0.631 55 A CB -1.320 17.537 19.000 -0.239 0.000 0.814 55 A HN 0.657 nan 8.150 nan 0.000 0.446 56 P HA 0.100 nan 4.420 nan 0.000 0.253 56 P C 0.752 177.969 177.300 -0.139 0.000 1.459 56 P CA 0.220 63.090 63.100 -0.383 0.000 0.908 56 P CB 0.196 31.671 31.700 -0.375 0.000 1.470 57 K N 0.885 121.248 120.400 -0.061 0.000 2.001 57 K HA -0.133 4.775 4.320 0.980 0.000 0.214 57 K C 1.695 178.434 176.600 0.233 0.000 1.050 57 K CA 2.205 58.653 56.287 0.268 0.000 0.934 57 K CB -0.696 32.011 32.500 0.346 0.000 0.718 57 K HN -0.046 nan 8.250 nan 0.000 0.443 58 T N 0.649 115.287 114.554 0.141 0.000 2.737 58 T HA -0.205 4.733 4.350 0.980 0.000 0.269 58 T C 1.172 175.933 174.700 0.101 0.000 1.040 58 T CA 1.435 63.602 62.100 0.111 0.000 1.142 58 T CB -0.328 68.583 68.868 0.072 0.000 0.861 58 T HN 0.510 nan 8.240 nan 0.000 0.456 59 W N 1.996 123.232 121.300 -0.107 0.000 2.418 59 W HA -0.063 5.184 4.660 0.978 0.000 0.292 59 W C 1.472 177.982 176.519 -0.013 0.000 1.213 59 W CA 0.721 57.964 57.345 -0.169 0.000 1.283 59 W CB -0.123 29.110 29.460 -0.379 0.000 1.119 59 W HN 0.093 nan 8.180 nan 0.000 0.542 60 K N 1.032 121.450 120.400 0.029 0.000 2.148 60 K HA -0.131 4.777 4.320 0.980 0.000 0.204 60 K C 1.657 178.326 176.600 0.114 0.000 1.050 60 K CA 1.521 57.808 56.287 0.001 0.000 0.942 60 K CB -0.484 31.998 32.500 -0.031 0.000 0.724 60 K HN 0.419 nan 8.250 nan 0.000 0.446 61 E N 0.777 121.090 120.200 0.188 0.000 2.107 61 E HA -0.148 4.790 4.350 0.980 0.000 0.191 61 E C 2.075 178.667 176.600 -0.012 0.000 0.982 61 E CA 0.928 57.419 56.400 0.152 0.000 0.809 61 E CB 0.038 29.816 29.700 0.131 0.000 0.756 61 E HN 0.367 nan 8.360 nan 0.000 0.459 62 Q N -0.657 119.084 119.800 -0.099 0.000 2.259 62 Q HA -0.062 4.866 4.340 0.980 0.000 0.201 62 Q C 1.696 177.538 176.000 -0.263 0.000 0.938 62 Q CA 0.677 56.388 55.803 -0.154 0.000 0.872 62 Q CB 0.040 28.706 28.738 -0.121 0.000 0.971 62 Q HN 0.287 nan 8.270 nan 0.000 0.494 63 Y N 0.335 120.252 120.300 -0.639 0.000 2.314 63 Y HA 0.044 5.181 4.550 0.978 0.000 0.294 63 Y C 1.414 177.072 175.900 -0.403 0.000 1.119 63 Y CA 0.981 58.644 58.100 -0.728 0.000 1.179 63 Y CB 0.352 37.884 38.460 -1.547 0.000 1.025 63 Y HN -0.042 nan 8.280 nan 0.000 0.541 64 L N -1.039 119.977 121.223 -0.345 0.000 2.590 64 L HA 0.295 5.223 4.340 0.980 0.000 0.227 64 L C 1.588 178.391 176.870 -0.111 0.000 1.099 64 L CA 0.583 55.279 54.840 -0.239 0.000 0.872 64 L CB -0.040 41.981 42.059 -0.063 0.000 1.088 64 L HN 0.376 nan 8.230 nan 0.000 0.479 65 G N 0.075 108.825 108.800 -0.082 0.000 2.160 65 G HA2 -0.322 4.226 3.960 0.980 0.000 0.251 65 G HA3 -0.322 4.226 3.960 0.980 0.000 0.251 65 G C -0.099 174.820 174.900 0.031 0.000 1.008 65 G CA 0.153 45.226 45.100 -0.044 0.000 0.724 65 G HN 0.394 nan 8.290 nan 0.000 0.514 66 W N 0.937 122.177 121.300 -0.099 0.000 2.170 66 W HA 0.552 5.801 4.660 0.982 0.000 0.336 66 W C -0.097 176.397 176.519 -0.043 0.000 1.283 66 W CA -0.037 57.267 57.345 -0.067 0.000 1.224 66 W CB 0.847 30.267 29.460 -0.066 0.000 1.132 66 W HN 0.181 nan 8.180 nan 0.000 0.571 67 D N 5.127 124.958 120.400 -0.948 0.000 2.686 67 D HA 0.084 5.312 4.640 0.980 0.000 0.249 67 D C 0.427 175.964 176.300 -1.271 0.000 1.260 67 D CA -0.616 52.852 54.000 -0.886 0.000 0.910 67 D CB 1.297 41.851 40.800 -0.411 0.000 1.323 67 D HN 0.305 nan 8.370 nan 0.000 0.561 68 L N 4.460 124.881 121.223 -1.336 0.000 1.944 68 L HA -0.123 4.805 4.340 0.980 0.000 0.218 68 L C 1.720 178.434 176.870 -0.260 0.000 1.075 68 L CA 1.877 56.254 54.840 -0.773 0.000 0.767 68 L CB -0.804 41.073 42.059 -0.305 0.000 0.890 68 L HN 0.514 nan 8.230 nan 0.000 0.434 69 V N -0.074 119.723 119.914 -0.193 0.000 2.453 69 V HA -0.351 4.357 4.120 0.980 0.000 0.252 69 V C 2.666 178.704 176.094 -0.092 0.000 1.068 69 V CA 2.116 64.357 62.300 -0.098 0.000 1.070 69 V CB -0.876 30.897 31.823 -0.085 0.000 0.664 69 V HN 0.646 nan 8.190 nan 0.000 0.461 70 Q N -0.119 119.591 119.800 -0.151 0.000 2.046 70 Q HA -0.168 4.760 4.340 0.980 0.000 0.200 70 Q C 2.507 178.481 176.000 -0.044 0.000 0.975 70 Q CA 2.054 57.793 55.803 -0.107 0.000 0.836 70 Q CB -0.072 28.578 28.738 -0.146 0.000 0.896 70 Q HN 0.710 nan 8.270 nan 0.000 0.428 71 S N 0.331 116.008 115.700 -0.038 0.000 2.368 71 S HA -0.146 4.913 4.470 0.980 0.000 0.225 71 S C 1.994 176.739 174.600 0.242 0.000 1.030 71 S CA 1.205 59.502 58.200 0.161 0.000 0.999 71 S CB -0.367 63.010 63.200 0.295 0.000 0.844 71 S HN 0.328 nan 8.310 nan 0.000 0.459 72 S N 1.103 116.912 115.700 0.183 0.000 2.351 72 S HA -0.113 4.945 4.470 0.980 0.000 0.220 72 S C 1.954 176.511 174.600 -0.071 0.000 1.035 72 S CA 1.483 59.641 58.200 -0.070 0.000 1.031 72 S CB -0.523 62.633 63.200 -0.073 0.000 0.928 72 S HN 0.318 nan 8.310 nan 0.000 0.433 73 V N 1.141 121.037 119.914 -0.030 0.000 2.469 73 V HA -0.125 4.583 4.120 0.980 0.000 0.251 73 V C 2.659 178.750 176.094 -0.004 0.000 1.064 73 V CA 2.087 64.374 62.300 -0.023 0.000 1.066 73 V CB -0.934 30.877 31.823 -0.021 0.000 0.667 73 V HN 0.578 nan 8.190 nan 0.000 0.461 74 S N -0.566 115.146 115.700 0.020 0.000 2.371 74 S HA -0.108 4.950 4.470 0.980 0.000 0.224 74 S C 2.150 176.776 174.600 0.044 0.000 1.029 74 S CA 1.368 59.592 58.200 0.040 0.000 0.978 74 S CB -0.221 63.018 63.200 0.065 0.000 0.833 74 S HN 0.622 nan 8.310 nan 0.000 0.466 75 A N 0.920 123.761 122.820 0.034 0.000 1.898 75 A HA -0.117 4.791 4.320 0.980 0.000 0.216 75 A C 2.069 179.647 177.584 -0.011 0.000 1.181 75 A CA 1.586 53.627 52.037 0.006 0.000 0.620 75 A CB -0.815 18.141 19.000 -0.074 0.000 0.819 75 A HN 0.666 nan 8.150 nan 0.000 0.442 76 Q N -1.140 118.640 119.800 -0.035 0.000 2.135 76 Q HA -0.258 4.670 4.340 0.980 0.000 0.204 76 Q C 2.321 178.333 176.000 0.021 0.000 0.981 76 Q CA 1.691 57.485 55.803 -0.015 0.000 0.856 76 Q CB -0.174 28.548 28.738 -0.027 0.000 0.902 76 Q HN 0.590 nan 8.270 nan 0.000 0.425 77 Q N 0.750 120.565 119.800 0.026 0.000 2.046 77 Q HA -0.087 4.841 4.340 0.980 0.000 0.200 77 Q C 1.727 177.770 176.000 0.071 0.000 0.975 77 Q CA 1.429 57.256 55.803 0.039 0.000 0.836 77 Q CB -0.005 28.753 28.738 0.033 0.000 0.896 77 Q HN 0.224 nan 8.270 nan 0.000 0.428 78 K N -0.154 120.302 120.400 0.094 0.000 2.103 78 K HA -0.118 4.790 4.320 0.980 0.000 0.207 78 K C 2.081 178.847 176.600 0.275 0.000 1.048 78 K CA 1.041 57.432 56.287 0.173 0.000 0.930 78 K CB -0.208 32.385 32.500 0.155 0.000 0.716 78 K HN 0.172 nan 8.250 nan 0.000 0.444 79 L N 0.188 121.533 121.223 0.204 0.000 2.005 79 L HA -0.168 4.760 4.340 0.980 0.000 0.207 79 L C 2.517 179.480 176.870 0.155 0.000 1.072 79 L CA 1.340 56.331 54.840 0.251 0.000 0.744 79 L CB -0.377 41.760 42.059 0.131 0.000 0.895 79 L HN 0.100 nan 8.230 nan 0.000 0.433 80 R N -0.939 119.613 120.500 0.086 0.000 2.092 80 R HA -0.137 4.791 4.340 0.980 0.000 0.231 80 R C 2.253 178.569 176.300 0.027 0.000 1.119 80 R CA 1.659 57.786 56.100 0.045 0.000 0.970 80 R CB -0.550 29.768 30.300 0.030 0.000 0.864 80 R HN 0.198 nan 8.270 nan 0.000 0.440 81 T N 0.496 115.071 114.554 0.036 0.000 3.098 81 T HA -0.043 4.895 4.350 0.980 0.000 0.266 81 T C 0.522 175.204 174.700 -0.030 0.000 1.145 81 T CA 0.503 62.610 62.100 0.012 0.000 1.092 81 T CB 0.026 68.912 68.868 0.029 0.000 0.908 81 T HN 0.044 nan 8.240 nan 0.000 0.526 82 Q N 2.083 121.849 119.800 -0.058 0.000 2.261 82 Q HA 0.179 5.107 4.340 0.980 0.000 0.252 82 Q C -0.320 175.576 176.000 -0.173 0.000 0.915 82 Q CA 0.004 55.682 55.803 -0.208 0.000 0.915 82 Q CB 1.032 29.467 28.738 -0.504 0.000 1.204 82 Q HN 0.533 nan 8.270 nan 0.000 0.421 83 E N 2.525 122.617 120.200 -0.180 0.000 2.159 83 E HA -0.023 4.916 4.350 0.980 0.000 0.272 83 E C -0.497 176.022 176.600 -0.134 0.000 1.138 83 E CA -0.006 56.318 56.400 -0.126 0.000 0.915 83 E CB -0.191 29.446 29.700 -0.105 0.000 1.028 83 E HN 0.583 nan 8.360 nan 0.000 0.423 84 N N 3.305 121.949 118.700 -0.093 0.000 2.629 84 N HA -0.142 5.186 4.740 0.980 0.000 0.278 84 N C -2.362 173.089 175.510 -0.098 0.000 1.102 84 N CA -0.517 52.490 53.050 -0.072 0.000 0.759 84 N CB -0.280 38.176 38.487 -0.053 0.000 0.911 84 N HN 0.379 nan 8.380 nan 0.000 0.553 85 P HA 0.018 nan 4.420 nan 0.000 0.269 85 P C -0.094 177.211 177.300 0.009 0.000 1.209 85 P CA -0.070 62.960 63.100 -0.116 0.000 0.776 85 P CB 0.988 32.680 31.700 -0.013 0.000 0.876 86 S N 0.650 116.386 115.700 0.060 0.000 2.713 86 S HA 0.242 5.300 4.470 0.980 0.000 0.283 86 S C 1.341 176.008 174.600 0.112 0.000 1.161 86 S CA -0.341 57.903 58.200 0.073 0.000 0.999 86 S CB 0.390 63.627 63.200 0.063 0.000 1.039 86 S HN 0.439 nan 8.310 nan 0.000 0.548 87 T N 1.956 116.545 114.554 0.058 0.000 2.746 87 T HA -0.110 4.828 4.350 0.980 0.000 0.267 87 T C 2.160 176.847 174.700 -0.022 0.000 1.039 87 T CA 1.999 64.116 62.100 0.029 0.000 1.142 87 T CB -0.827 68.051 68.868 0.017 0.000 0.866 87 T HN 0.867 nan 8.240 nan 0.000 0.444 88 S N 1.379 117.066 115.700 -0.021 0.000 2.402 88 S HA -0.086 4.972 4.470 0.980 0.000 0.229 88 S C 1.804 176.347 174.600 -0.097 0.000 1.021 88 S CA 0.692 58.834 58.200 -0.096 0.000 0.974 88 S CB -0.868 62.303 63.200 -0.049 0.000 0.800 88 S HN 0.510 nan 8.310 nan 0.000 0.484 89 F N 2.308 122.205 119.950 -0.089 0.000 2.075 89 F HA -0.112 5.004 4.527 0.981 0.000 0.297 89 F C 2.366 178.121 175.800 -0.076 0.000 1.113 89 F CA 1.018 58.978 58.000 -0.068 0.000 1.218 89 F CB -1.002 37.974 39.000 -0.040 0.000 0.984 89 F HN 0.269 nan 8.300 nan 0.000 0.472 90 C N 0.926 120.132 119.300 -0.157 0.000 2.413 90 C HA -0.202 4.847 4.460 0.980 0.000 0.276 90 C C 2.712 177.528 174.990 -0.291 0.000 1.248 90 C CA 1.336 60.226 59.018 -0.214 0.000 1.742 90 C CB -1.421 26.323 27.740 0.007 0.000 2.017 90 C HN 0.584 nan 8.230 nan 0.000 0.481 91 Q N 0.316 119.894 119.800 -0.371 0.000 2.084 91 Q HA -0.261 4.668 4.340 0.980 0.000 0.202 91 Q C 2.221 177.876 176.000 -0.575 0.000 0.978 91 Q CA 1.576 56.937 55.803 -0.736 0.000 0.844 91 Q CB -0.282 27.701 28.738 -1.258 0.000 0.898 91 Q HN 0.730 nan 8.270 nan 0.000 0.426 92 Q N -0.045 119.493 119.800 -0.437 0.000 2.084 92 Q HA -0.136 4.792 4.340 0.980 0.000 0.202 92 Q C 2.213 178.084 176.000 -0.215 0.000 0.978 92 Q CA 1.444 57.079 55.803 -0.281 0.000 0.844 92 Q CB -0.036 28.549 28.738 -0.253 0.000 0.898 92 Q HN 0.179 nan 8.270 nan 0.000 0.426 93 V N 0.858 120.564 119.914 -0.347 0.000 2.358 93 V HA -0.235 4.473 4.120 0.980 0.000 0.246 93 V C 2.062 178.149 176.094 -0.010 0.000 1.047 93 V CA 1.463 63.630 62.300 -0.222 0.000 1.035 93 V CB -0.420 31.194 31.823 -0.348 0.000 0.658 93 V HN 0.377 nan 8.190 nan 0.000 0.452 94 L N -0.098 121.142 121.223 0.028 0.000 2.141 94 L HA -0.090 4.838 4.340 0.980 0.000 0.209 94 L C 2.655 179.703 176.870 0.297 0.000 1.094 94 L CA 1.348 56.312 54.840 0.207 0.000 0.763 94 L CB -0.753 41.463 42.059 0.263 0.000 0.908 94 L HN 0.368 nan 8.230 nan 0.000 0.437 95 A N -0.215 122.761 122.820 0.259 0.000 1.929 95 A HA -0.183 4.726 4.320 0.980 0.000 0.216 95 A C 1.841 179.504 177.584 0.133 0.000 1.176 95 A CA 1.624 53.800 52.037 0.233 0.000 0.628 95 A CB -0.346 18.803 19.000 0.248 0.000 0.816 95 A HN 0.283 nan 8.150 nan 0.000 0.444 96 D N -1.133 119.335 120.400 0.113 0.000 2.144 96 D HA -0.084 5.144 4.640 0.980 0.000 0.200 96 D C 1.525 177.902 176.300 0.128 0.000 0.978 96 D CA 0.986 55.043 54.000 0.096 0.000 0.833 96 D CB -0.347 40.494 40.800 0.069 0.000 0.961 96 D HN 0.428 nan 8.370 nan 0.000 0.470 97 F N 1.459 121.435 119.950 0.044 0.000 2.046 97 F HA -0.191 4.925 4.527 0.982 0.000 0.297 97 F C 1.957 177.786 175.800 0.049 0.000 1.123 97 F CA 1.190 59.231 58.000 0.067 0.000 1.199 97 F CB -0.269 38.772 39.000 0.068 0.000 0.972 97 F HN -0.135 nan 8.300 nan 0.000 0.474 98 I N 0.988 121.474 120.570 -0.139 0.000 2.361 98 I HA -0.181 4.577 4.170 0.980 0.000 0.251 98 I C 2.750 178.710 176.117 -0.263 0.000 1.133 98 I CA 1.459 62.580 61.300 -0.298 0.000 1.413 98 I CB -2.376 35.559 38.000 -0.109 0.000 1.073 98 I HN 0.357 nan 8.210 nan 0.000 0.424 99 G N 0.510 109.236 108.800 -0.124 0.000 2.471 99 G HA2 -0.127 4.422 3.960 0.980 0.000 0.219 99 G HA3 -0.127 4.422 3.960 0.980 0.000 0.219 99 G C 1.695 176.515 174.900 -0.134 0.000 1.125 99 G CA 0.667 45.707 45.100 -0.099 0.000 0.775 99 G HN 0.480 nan 8.290 nan 0.000 0.548 100 G N 0.791 109.506 108.800 -0.142 0.000 2.509 100 G HA2 -0.080 4.468 3.960 0.980 0.000 0.218 100 G HA3 -0.080 4.468 3.960 0.980 0.000 0.218 100 G C 1.597 176.323 174.900 -0.289 0.000 1.124 100 G CA 0.240 45.282 45.100 -0.096 0.000 0.776 100 G HN 0.450 nan 8.290 nan 0.000 0.547 101 L N -0.312 120.610 121.223 -0.502 0.000 2.465 101 L HA 0.061 4.989 4.340 0.980 0.000 0.224 101 L C 1.329 177.959 176.870 -0.400 0.000 1.145 101 L CA 0.399 54.810 54.840 -0.714 0.000 0.834 101 L CB -0.545 41.074 42.059 -0.735 0.000 0.944 101 L HN 0.438 nan 8.230 nan 0.000 0.451 102 N N 0.886 119.412 118.700 -0.290 0.000 2.714 102 N HA -0.217 5.111 4.740 0.980 0.000 0.253 102 N C -0.543 174.786 175.510 -0.303 0.000 1.024 102 N CA 0.179 53.073 53.050 -0.259 0.000 0.726 102 N CB -0.520 37.868 38.487 -0.164 0.000 0.908 102 N HN 0.266 nan 8.380 nan 0.000 0.542 103 D N -0.130 120.084 120.400 -0.310 0.000 2.593 103 D HA 0.173 5.401 4.640 0.980 0.000 0.251 103 D C 0.532 176.693 176.300 -0.232 0.000 1.140 103 D CA -0.592 53.278 54.000 -0.217 0.000 0.855 103 D CB 0.551 41.324 40.800 -0.044 0.000 1.267 103 D HN 0.128 nan 8.370 nan 0.000 0.532 104 F N 1.243 121.163 119.950 -0.050 0.000 2.451 104 F HA -0.023 5.098 4.527 0.989 0.000 0.299 104 F C 1.934 177.668 175.800 -0.111 0.000 1.101 104 F CA 0.809 58.751 58.000 -0.096 0.000 1.436 104 F CB 0.085 39.026 39.000 -0.097 0.000 1.074 104 F HN 0.546 nan 8.300 nan 0.000 0.553 105 H N -1.163 117.970 119.070 0.104 0.000 2.563 105 H HA 0.369 5.514 4.556 0.982 0.000 0.264 105 H C 0.810 176.108 175.328 -0.050 0.000 0.957 105 H CA -0.094 55.963 56.048 0.015 0.000 1.173 105 H CB 0.316 30.089 29.762 0.018 0.000 1.420 105 H HN 0.082 nan 8.280 nan 0.000 0.551 106 A N 1.342 124.191 122.820 0.047 0.000 2.252 106 A HA 0.595 5.503 4.320 0.980 0.000 0.309 106 A C 0.417 177.941 177.584 -0.100 0.000 1.285 106 A CA 0.133 52.128 52.037 -0.070 0.000 0.900 106 A CB 0.258 19.169 19.000 -0.150 0.000 1.157 106 A HN 0.385 nan 8.150 nan 0.000 0.536 107 G N -0.046 108.689 108.800 -0.108 0.000 2.645 107 G HA2 0.622 5.170 3.960 0.980 0.000 0.292 107 G HA3 0.622 5.170 3.960 0.980 0.000 0.292 107 G C -1.533 173.281 174.900 -0.145 0.000 1.415 107 G CA -0.304 44.732 45.100 -0.106 0.000 0.785 107 G HN 1.282 nan 8.290 nan 0.000 0.483 108 V N 0.214 120.012 119.914 -0.193 0.000 2.668 108 V HA 0.721 5.429 4.120 0.980 0.000 0.304 108 V C 0.074 175.793 176.094 -0.626 0.000 1.071 108 V CA -0.567 61.503 62.300 -0.382 0.000 0.894 108 V CB 1.042 32.633 31.823 -0.387 0.000 1.008 108 V HN 1.228 nan 8.190 nan 0.000 0.425 109 T N 0.755 114.909 114.554 -0.666 0.000 2.925 109 T HA 0.867 5.805 4.350 0.980 0.000 0.285 109 T C -0.864 173.286 174.700 -0.917 0.000 1.021 109 T CA -0.459 61.276 62.100 -0.608 0.000 1.042 109 T CB 1.613 70.267 68.868 -0.356 0.000 1.037 109 T HN 0.288 nan 8.240 nan 0.000 0.481 110 F N -0.123 119.691 119.950 -0.226 0.000 2.577 110 F HA 0.512 5.627 4.527 0.979 0.000 0.318 110 F C -0.106 175.561 175.800 -0.222 0.000 1.065 110 F CA -1.775 56.088 58.000 -0.229 0.000 0.929 110 F CB 1.509 40.447 39.000 -0.104 0.000 1.237 110 F HN 0.558 nan 8.300 nan 0.000 0.468 111 F N 2.339 122.365 119.950 0.126 0.000 2.679 111 F HA 0.468 5.583 4.527 0.981 0.000 0.351 111 F C 0.474 176.309 175.800 0.059 0.000 1.279 111 F CA -0.047 57.984 58.000 0.052 0.000 1.227 111 F CB -0.466 38.545 39.000 0.018 0.000 1.623 111 F HN 0.457 nan 8.300 nan 0.000 0.666 112 A N 2.558 125.492 122.820 0.191 0.000 2.520 112 A HA 0.616 5.524 4.320 0.980 0.000 0.298 112 A C 0.161 177.785 177.584 0.067 0.000 1.051 112 A CA -0.678 51.426 52.037 0.113 0.000 0.690 112 A CB 1.054 20.103 19.000 0.081 0.000 1.281 112 A HN 0.646 nan 8.150 nan 0.000 0.402 113 I N -1.038 119.551 120.570 0.033 0.000 4.139 113 I HA 0.322 5.080 4.170 0.980 0.000 0.335 113 I C 0.593 176.688 176.117 -0.036 0.000 1.327 113 I CA 0.038 61.340 61.300 0.003 0.000 1.112 113 I CB -0.020 37.978 38.000 -0.004 0.000 1.058 113 I HN 0.725 nan 8.210 nan 0.000 0.396 114 E N 3.134 123.307 120.200 -0.046 0.000 2.481 114 E HA 0.167 5.105 4.350 0.980 0.000 0.263 114 E C -0.287 176.279 176.600 -0.058 0.000 0.992 114 E CA 0.591 56.931 56.400 -0.099 0.000 0.938 114 E CB 0.517 30.188 29.700 -0.047 0.000 0.933 114 E HN 0.580 nan 8.360 nan 0.000 0.453 115 S N 1.849 117.490 115.700 -0.098 0.000 2.578 115 S HA 0.699 5.757 4.470 0.980 0.000 0.272 115 S C -1.437 173.209 174.600 0.076 0.000 1.145 115 S CA -0.539 57.670 58.200 0.016 0.000 0.835 115 S CB 1.332 64.555 63.200 0.038 0.000 1.104 115 S HN 0.751 nan 8.310 nan 0.000 0.458 116 A N 1.233 124.151 122.820 0.164 0.000 2.475 116 A HA 0.906 5.814 4.320 0.980 0.000 0.301 116 A C -1.610 176.285 177.584 0.518 0.000 1.059 116 A CA -0.736 51.477 52.037 0.294 0.000 0.710 116 A CB 1.483 20.447 19.000 -0.060 0.000 1.288 116 A HN 1.797 nan 8.150 nan 0.000 0.408 117 Y N 0.733 121.371 120.300 0.565 0.000 2.544 117 Y HA 0.695 5.831 4.550 0.977 0.000 0.342 117 Y C -2.054 174.062 175.900 0.359 0.000 1.062 117 Y CA -0.998 57.388 58.100 0.477 0.000 1.023 117 Y CB 1.562 40.162 38.460 0.233 0.000 1.308 117 Y HN 0.668 nan 8.280 nan 0.000 0.457 118 L N 7.048 127.921 121.223 -0.584 0.000 2.381 118 L HA 0.489 5.417 4.340 0.980 0.000 0.274 118 L C -2.223 173.850 176.870 -1.328 0.000 0.988 118 L CA -2.051 52.307 54.840 -0.804 0.000 0.824 118 L CB 2.899 44.572 42.059 -0.645 0.000 1.263 118 L HN 0.525 nan 8.230 nan 0.000 0.410 119 P HA 0.015 nan 4.420 nan 0.000 0.246 119 P C -1.305 175.258 177.300 -1.229 0.000 1.675 119 P CA 0.517 62.969 63.100 -1.081 0.000 0.908 119 P CB -0.608 30.611 31.700 -0.801 0.000 1.890 120 Y N -1.312 118.676 120.300 -0.520 0.000 2.553 120 Y HA 0.497 5.633 4.550 0.977 0.000 0.347 120 Y C 0.541 176.383 175.900 -0.096 0.000 1.019 120 Y CA -0.849 57.032 58.100 -0.364 0.000 1.032 120 Y CB 2.023 40.094 38.460 -0.648 0.000 1.284 120 Y HN -0.250 nan 8.280 nan 0.000 0.466 121 T N 2.122 116.808 114.554 0.220 0.000 2.886 121 T HA 0.670 5.608 4.350 0.980 0.000 0.292 121 T C -1.099 173.661 174.700 0.100 0.000 1.012 121 T CA -0.680 61.529 62.100 0.181 0.000 0.982 121 T CB 1.614 70.528 68.868 0.077 0.000 1.018 121 T HN 0.343 nan 8.240 nan 0.000 0.451 122 V N 2.530 122.487 119.914 0.072 0.000 2.914 122 V HA 0.622 5.330 4.120 0.980 0.000 0.314 122 V C -0.584 175.477 176.094 -0.055 0.000 1.084 122 V CA -0.858 61.412 62.300 -0.051 0.000 0.963 122 V CB 2.189 33.981 31.823 -0.052 0.000 1.025 122 V HN 0.841 nan 8.190 nan 0.000 0.432 123 Q N 2.311 122.065 119.800 -0.077 0.000 2.323 123 Q HA 0.447 5.375 4.340 0.980 0.000 0.271 123 Q C -1.108 174.868 176.000 -0.041 0.000 1.048 123 Q CA -0.710 55.056 55.803 -0.062 0.000 0.792 123 Q CB 2.214 30.853 28.738 -0.166 0.000 1.280 123 Q HN 0.695 nan 8.270 nan 0.000 0.441 124 K N 1.953 122.306 120.400 -0.078 0.000 2.201 124 K HA 0.314 5.222 4.320 0.980 0.000 0.278 124 K C -0.385 176.130 176.600 -0.140 0.000 1.027 124 K CA -0.174 55.922 56.287 -0.318 0.000 0.909 124 K CB 0.992 33.223 32.500 -0.449 0.000 1.062 124 K HN 0.778 nan 8.250 nan 0.000 0.465 125 S N 1.648 117.263 115.700 -0.141 0.000 2.681 125 S HA 0.046 5.105 4.470 0.980 0.000 0.270 125 S C 1.261 175.833 174.600 -0.047 0.000 1.209 125 S CA -0.146 58.047 58.200 -0.013 0.000 0.988 125 S CB 1.386 64.613 63.200 0.045 0.000 1.006 125 S HN 0.692 nan 8.310 nan 0.000 0.558 126 S N 0.198 115.901 115.700 0.005 0.000 2.423 126 S HA -0.150 4.908 4.470 0.980 0.000 0.231 126 S C 1.106 175.691 174.600 -0.025 0.000 1.014 126 S CA 1.008 59.204 58.200 -0.007 0.000 0.965 126 S CB -0.944 62.266 63.200 0.017 0.000 0.785 126 S HN 0.896 nan 8.310 nan 0.000 0.495 127 D N 0.912 121.297 120.400 -0.025 0.000 2.363 127 D HA 0.226 5.454 4.640 0.980 0.000 0.226 127 D C 1.282 177.548 176.300 -0.057 0.000 1.020 127 D CA 0.580 54.565 54.000 -0.025 0.000 0.892 127 D CB -0.837 39.960 40.800 -0.005 0.000 0.900 127 D HN 0.649 nan 8.370 nan 0.000 0.531 128 G N 0.084 108.809 108.800 -0.125 0.000 2.140 128 G HA2 -0.261 4.287 3.960 0.980 0.000 0.211 128 G HA3 -0.261 4.287 3.960 0.980 0.000 0.211 128 G C -0.101 174.603 174.900 -0.327 0.000 1.013 128 G CA -0.352 44.625 45.100 -0.205 0.000 0.705 128 G HN 0.440 nan 8.290 nan 0.000 0.508 129 R N -1.050 119.217 120.500 -0.389 0.000 2.637 129 R HA 0.681 5.609 4.340 0.980 0.000 0.291 129 R C -0.846 175.027 176.300 -0.712 0.000 0.963 129 R CA -0.780 55.053 56.100 -0.446 0.000 0.901 129 R CB 1.012 31.121 30.300 -0.318 0.000 1.160 129 R HN 0.078 nan 8.270 nan 0.000 0.457 130 F N 2.501 122.166 119.950 -0.475 0.000 2.388 130 F HA 0.385 5.507 4.527 0.991 0.000 0.358 130 F C -0.513 174.907 175.800 -0.632 0.000 1.122 130 F CA -0.703 57.038 58.000 -0.430 0.000 1.056 130 F CB 0.794 39.593 39.000 -0.336 0.000 1.155 130 F HN 0.320 nan 8.300 nan 0.000 0.461 131 Y N 2.072 122.315 120.300 -0.096 0.000 2.393 131 Y HA 0.511 5.643 4.550 0.970 0.000 0.341 131 Y C -0.335 175.466 175.900 -0.166 0.000 0.988 131 Y CA -1.471 56.564 58.100 -0.109 0.000 1.078 131 Y CB 1.140 39.547 38.460 -0.088 0.000 1.203 131 Y HN 0.358 nan 8.280 nan 0.000 0.453 132 F N 1.687 121.699 119.950 0.102 0.000 2.529 132 F HA 0.200 5.318 4.527 0.985 0.000 0.365 132 F C 1.138 176.923 175.800 -0.024 0.000 1.102 132 F CA 0.014 58.028 58.000 0.024 0.000 1.271 132 F CB 0.565 39.562 39.000 -0.005 0.000 1.120 132 F HN 0.386 nan 8.300 nan 0.000 0.579 133 V N -2.398 117.531 119.914 0.024 0.000 3.485 133 V HA 0.366 5.074 4.120 0.980 0.000 0.280 133 V C -0.294 175.780 176.094 -0.034 0.000 1.495 133 V CA 0.020 62.243 62.300 -0.128 0.000 1.018 133 V CB 0.485 31.930 31.823 -0.629 0.000 0.818 133 V HN 0.752 nan 8.190 nan 0.000 0.436 134 D N 0.203 120.630 120.400 0.044 0.000 2.886 134 D HA 0.517 5.745 4.640 0.980 0.000 0.216 134 D C -1.710 174.669 176.300 0.133 0.000 1.256 134 D CA -0.260 53.805 54.000 0.108 0.000 0.844 134 D CB 2.979 43.859 40.800 0.133 0.000 1.669 134 D HN 0.225 nan 8.370 nan 0.000 0.513 135 I N 3.380 124.001 120.570 0.085 0.000 2.476 135 I HA 0.162 4.920 4.170 0.980 0.000 0.281 135 I C 0.376 176.449 176.117 -0.074 0.000 1.040 135 I CA -0.552 60.763 61.300 0.024 0.000 1.094 135 I CB 1.560 39.588 38.000 0.047 0.000 1.219 135 I HN 0.230 nan 8.210 nan 0.000 0.450 136 M N 4.448 123.951 119.600 -0.161 0.000 2.752 136 M HA 0.152 5.220 4.480 0.980 0.000 0.216 136 M C 0.417 176.573 176.300 -0.240 0.000 1.261 136 M CA 0.473 55.691 55.300 -0.137 0.000 1.020 136 M CB -0.498 32.065 32.600 -0.061 0.000 1.686 136 M HN 0.554 nan 8.290 nan 0.000 0.447 137 T N -1.056 113.312 114.554 -0.309 0.000 2.778 137 T HA 0.643 5.582 4.350 0.980 0.000 0.293 137 T C -0.636 173.867 174.700 -0.330 0.000 1.144 137 T CA -0.989 60.818 62.100 -0.488 0.000 1.010 137 T CB 0.665 69.026 68.868 -0.844 0.000 1.325 137 T HN 0.121 nan 8.240 nan 0.000 0.515 138 F N 0.900 120.826 119.950 -0.040 0.000 2.586 138 F HA 0.413 5.529 4.527 0.982 0.000 0.335 138 F C 1.091 176.878 175.800 -0.022 0.000 1.210 138 F CA -0.984 57.002 58.000 -0.024 0.000 1.359 138 F CB -1.055 37.933 39.000 -0.020 0.000 1.142 138 F HN 0.349 nan 8.300 nan 0.000 0.606 139 S N 1.124 117.005 115.700 0.303 0.000 3.772 139 S HA 0.021 5.079 4.470 0.980 0.000 0.191 139 S C 0.574 175.295 174.600 0.202 0.000 1.060 139 S CA 0.033 58.337 58.200 0.174 0.000 1.051 139 S CB -1.185 62.068 63.200 0.088 0.000 1.578 139 S HN 0.769 nan 8.310 nan 0.000 0.481 140 S N 0.960 116.840 115.700 0.299 0.000 2.625 140 S HA 0.138 5.196 4.470 0.980 0.000 0.258 140 S C 1.492 176.129 174.600 0.061 0.000 1.256 140 S CA -0.481 57.869 58.200 0.251 0.000 0.983 140 S CB 0.405 63.801 63.200 0.327 0.000 1.032 140 S HN 0.641 nan 8.310 nan 0.000 0.572 141 E N -0.539 119.668 120.200 0.011 0.000 2.209 141 E HA -0.112 4.826 4.350 0.980 0.000 0.196 141 E C -0.115 176.418 176.600 -0.113 0.000 0.993 141 E CA 0.691 57.063 56.400 -0.047 0.000 0.819 141 E CB -0.113 29.553 29.700 -0.057 0.000 0.745 141 E HN 0.368 nan 8.360 nan 0.000 0.477 142 I N 1.221 121.674 120.570 -0.195 0.000 2.395 142 I HA 0.094 4.852 4.170 0.980 0.000 0.289 142 I C 0.296 176.258 176.117 -0.258 0.000 1.023 142 I CA 0.399 61.467 61.300 -0.386 0.000 1.350 142 I CB 1.113 38.611 38.000 -0.837 0.000 1.409 142 I HN -0.160 nan 8.210 nan 0.000 0.507 143 R N 3.736 124.105 120.500 -0.219 0.000 2.892 143 R HA 0.704 5.632 4.340 0.980 0.000 0.265 143 R C -1.169 175.107 176.300 -0.041 0.000 1.025 143 R CA -1.215 54.833 56.100 -0.086 0.000 0.982 143 R CB 1.519 31.807 30.300 -0.019 0.000 1.185 143 R HN 0.229 nan 8.270 nan 0.000 0.484 144 V N 1.549 121.482 119.914 0.032 0.000 2.655 144 V HA 0.192 4.900 4.120 0.980 0.000 0.300 144 V C 1.333 177.490 176.094 0.105 0.000 1.044 144 V CA 2.027 64.386 62.300 0.098 0.000 1.095 144 V CB 0.831 32.706 31.823 0.087 0.000 0.952 144 V HN 1.124 nan 8.190 nan 0.000 0.485 145 G N 3.772 112.665 108.800 0.155 0.000 2.279 145 G HA2 -0.188 4.360 3.960 0.980 0.000 0.223 145 G HA3 -0.188 4.360 3.960 0.980 0.000 0.223 145 G C 0.015 175.062 174.900 0.245 0.000 1.015 145 G CA 0.007 45.182 45.100 0.125 0.000 0.621 145 G HN 0.663 nan 8.290 nan 0.000 0.506 146 D N 1.406 121.962 120.400 0.259 0.000 2.419 146 D HA 0.401 5.629 4.640 0.980 0.000 0.236 146 D C 0.492 177.051 176.300 0.433 0.000 1.165 146 D CA 0.386 54.558 54.000 0.287 0.000 0.882 146 D CB 0.764 41.656 40.800 0.154 0.000 1.201 146 D HN 0.506 nan 8.370 nan 0.000 0.443 147 E N 0.896 121.253 120.200 0.262 0.000 2.197 147 E HA 0.277 5.215 4.350 0.980 0.000 0.281 147 E C -0.968 175.653 176.600 0.035 0.000 0.995 147 E CA -0.881 55.512 56.400 -0.012 0.000 0.808 147 E CB 1.101 30.710 29.700 -0.151 0.000 1.093 147 E HN 0.174 nan 8.360 nan 0.000 0.394 148 L N 6.115 127.270 121.223 -0.112 0.000 2.260 148 L HA 0.209 5.137 4.340 0.980 0.000 0.289 148 L C -0.155 176.662 176.870 -0.089 0.000 1.057 148 L CA 0.326 55.117 54.840 -0.082 0.000 0.811 148 L CB 0.600 42.445 42.059 -0.356 0.000 1.184 148 L HN 0.761 nan 8.230 nan 0.000 0.429 149 L N 3.069 124.267 121.223 -0.042 0.000 2.286 149 L HA 0.366 5.294 4.340 0.980 0.000 0.203 149 L C 0.476 177.304 176.870 -0.071 0.000 1.068 149 L CA 0.249 55.061 54.840 -0.047 0.000 0.811 149 L CB 0.030 42.077 42.059 -0.020 0.000 0.989 149 L HN 0.613 nan 8.230 nan 0.000 0.467 150 E N -0.865 119.298 120.200 -0.062 0.000 2.429 150 E HA 0.582 5.520 4.350 0.980 0.000 0.276 150 E C -1.502 175.060 176.600 -0.063 0.000 0.953 150 E CA -0.658 55.699 56.400 -0.072 0.000 0.787 150 E CB 3.332 33.006 29.700 -0.043 0.000 1.307 150 E HN -0.283 nan 8.360 nan 0.000 0.458 151 V N 1.641 121.515 119.914 -0.067 0.000 2.569 151 V HA 0.173 4.881 4.120 0.980 0.000 0.301 151 V C -0.297 175.789 176.094 -0.013 0.000 1.044 151 V CA -0.637 61.642 62.300 -0.035 0.000 0.874 151 V CB 1.622 33.405 31.823 -0.066 0.000 1.002 151 V HN 0.849 nan 8.190 nan 0.000 0.424 152 D N 3.750 124.159 120.400 0.015 0.000 2.751 152 D HA -0.206 5.022 4.640 0.980 0.000 0.233 152 D C 1.350 177.653 176.300 0.004 0.000 1.149 152 D CA 1.982 55.998 54.000 0.025 0.000 0.682 152 D CB -0.800 40.030 40.800 0.050 0.000 1.068 152 D HN 1.513 nan 8.370 nan 0.000 0.429 153 G N -1.578 107.218 108.800 -0.007 0.000 2.234 153 G HA2 -0.181 4.367 3.960 0.980 0.000 0.260 153 G HA3 -0.181 4.367 3.960 0.980 0.000 0.260 153 G C 0.418 175.305 174.900 -0.021 0.000 0.987 153 G CA 0.827 45.920 45.100 -0.011 0.000 0.625 153 G HN 1.257 nan 8.290 nan 0.000 0.532 154 A N 1.257 124.058 122.820 -0.031 0.000 2.325 154 A HA 0.849 5.757 4.320 0.980 0.000 0.333 154 A C -2.008 175.537 177.584 -0.064 0.000 1.155 154 A CA -1.326 50.685 52.037 -0.045 0.000 0.814 154 A CB 1.473 20.442 19.000 -0.052 0.000 1.206 154 A HN 0.175 nan 8.150 nan 0.000 0.482 155 P HA 0.089 nan 4.420 nan 0.000 0.269 155 P C 1.143 178.360 177.300 -0.138 0.000 1.209 155 P CA -0.131 62.921 63.100 -0.080 0.000 0.776 155 P CB 0.610 32.281 31.700 -0.048 0.000 0.876 156 V N 2.483 122.274 119.914 -0.205 0.000 2.278 156 V HA -0.324 4.384 4.120 0.980 0.000 0.251 156 V C 2.567 178.454 176.094 -0.345 0.000 1.062 156 V CA 2.269 64.343 62.300 -0.377 0.000 1.038 156 V CB -1.643 29.766 31.823 -0.690 0.000 0.646 156 V HN 0.491 nan 8.190 nan 0.000 0.447 157 Q N 0.278 119.960 119.800 -0.196 0.000 2.112 157 Q HA -0.211 4.717 4.340 0.980 0.000 0.206 157 Q C 2.021 177.944 176.000 -0.129 0.000 0.987 157 Q CA 2.074 57.832 55.803 -0.076 0.000 0.858 157 Q CB -0.531 28.240 28.738 0.055 0.000 0.905 157 Q HN 0.665 nan 8.270 nan 0.000 0.420 158 D N -0.663 119.663 120.400 -0.122 0.000 2.178 158 D HA -0.080 5.148 4.640 0.980 0.000 0.202 158 D C 1.813 177.996 176.300 -0.196 0.000 0.974 158 D CA 0.781 54.701 54.000 -0.132 0.000 0.841 158 D CB 0.054 40.804 40.800 -0.085 0.000 0.953 158 D HN 0.099 nan 8.370 nan 0.000 0.478 159 V N 1.295 121.084 119.914 -0.210 0.000 2.427 159 V HA -0.178 4.530 4.120 0.980 0.000 0.248 159 V C 2.633 178.540 176.094 -0.312 0.000 1.051 159 V CA 0.955 63.122 62.300 -0.223 0.000 1.048 159 V CB -0.352 31.344 31.823 -0.210 0.000 0.666 159 V HN 0.193 nan 8.190 nan 0.000 0.456 160 L N 0.142 121.136 121.223 -0.383 0.000 2.056 160 L HA -0.132 4.796 4.340 0.980 0.000 0.207 160 L C 2.773 179.027 176.870 -1.025 0.000 1.078 160 L CA 1.505 56.035 54.840 -0.517 0.000 0.749 160 L CB -0.844 41.008 42.059 -0.344 0.000 0.901 160 L HN 0.368 nan 8.230 nan 0.000 0.433 161 A N 0.340 122.552 122.820 -1.012 0.000 1.986 161 A HA -0.250 4.658 4.320 0.980 0.000 0.220 161 A C 2.364 179.584 177.584 -0.607 0.000 1.171 161 A CA 2.312 53.681 52.037 -1.114 0.000 0.640 161 A CB -1.004 17.768 19.000 -0.379 0.000 0.811 161 A HN 0.558 nan 8.150 nan 0.000 0.451 162 T N -2.258 112.062 114.554 -0.390 0.000 3.007 162 T HA 0.054 4.992 4.350 0.980 0.000 0.270 162 T C 1.426 176.008 174.700 -0.197 0.000 1.107 162 T CA 1.384 63.353 62.100 -0.217 0.000 1.118 162 T CB -0.354 68.420 68.868 -0.156 0.000 0.889 162 T HN 0.342 nan 8.240 nan 0.000 0.506 163 L N -1.196 119.848 121.223 -0.298 0.000 2.590 163 L HA 0.348 5.276 4.340 0.980 0.000 0.227 163 L C 0.346 177.197 176.870 -0.031 0.000 1.099 163 L CA -0.561 54.179 54.840 -0.166 0.000 0.872 163 L CB -0.170 41.779 42.059 -0.183 0.000 1.088 163 L HN 0.165 nan 8.230 nan 0.000 0.479 164 Y N 1.127 121.362 120.300 -0.109 0.000 2.459 164 Y HA 0.304 5.441 4.550 0.978 0.000 0.349 164 Y C 1.253 177.140 175.900 -0.021 0.000 1.266 164 Y CA -0.808 57.216 58.100 -0.126 0.000 1.483 164 Y CB -0.170 38.043 38.460 -0.411 0.000 1.362 164 Y HN -0.108 nan 8.280 nan 0.000 0.628 165 G N 0.003 108.935 108.800 0.220 0.000 2.504 165 G HA2 0.296 4.844 3.960 0.980 0.000 0.288 165 G HA3 0.296 4.844 3.960 0.980 0.000 0.288 165 G C 0.783 175.763 174.900 0.133 0.000 1.182 165 G CA -0.307 44.872 45.100 0.132 0.000 0.894 165 G HN 0.642 nan 8.290 nan 0.000 0.521 166 S N 0.087 115.845 115.700 0.097 0.000 2.378 166 S HA -0.198 4.860 4.470 0.980 0.000 0.229 166 S C 1.532 176.193 174.600 0.102 0.000 1.052 166 S CA 1.717 59.977 58.200 0.100 0.000 1.084 166 S CB -0.303 62.960 63.200 0.104 0.000 0.950 166 S HN 0.694 nan 8.310 nan 0.000 0.440 167 N N 0.551 119.299 118.700 0.080 0.000 2.558 167 N HA 0.070 5.398 4.740 0.980 0.000 0.281 167 N C -0.172 175.356 175.510 0.031 0.000 1.219 167 N CA -0.144 52.937 53.050 0.052 0.000 0.942 167 N CB 0.134 38.642 38.487 0.035 0.000 1.241 167 N HN 0.433 nan 8.380 nan 0.000 0.511 168 H N 1.876 120.929 119.070 -0.028 0.000 3.094 168 H HA -0.016 5.127 4.556 0.977 0.000 0.320 168 H C 0.274 175.546 175.328 -0.095 0.000 1.000 168 H CA 0.989 56.984 56.048 -0.087 0.000 1.413 168 H CB 0.790 30.481 29.762 -0.118 0.000 1.405 168 H HN 0.183 nan 8.280 nan 0.000 0.586 169 K N 3.273 123.348 120.400 -0.542 0.000 2.414 169 K HA 0.110 5.019 4.320 0.980 0.000 0.204 169 K C 1.100 177.446 176.600 -0.423 0.000 1.026 169 K CA 0.381 56.452 56.287 -0.360 0.000 1.108 169 K CB 0.826 33.208 32.500 -0.197 0.000 0.855 169 K HN 0.984 nan 8.250 nan 0.000 0.517 170 G N 2.358 110.643 108.800 -0.859 0.000 2.184 170 G HA2 -0.337 4.211 3.960 0.980 0.000 0.264 170 G HA3 -0.337 4.211 3.960 0.980 0.000 0.264 170 G C 0.440 175.202 174.900 -0.230 0.000 0.975 170 G CA 0.902 45.749 45.100 -0.422 0.000 0.642 170 G HN 0.443 nan 8.290 nan 0.000 0.536 171 T N -1.871 112.543 114.554 -0.234 0.000 2.855 171 T HA 0.577 5.515 4.350 0.980 0.000 0.314 171 T C 1.734 176.432 174.700 -0.004 0.000 1.077 171 T CA 0.586 62.648 62.100 -0.063 0.000 1.095 171 T CB 1.572 70.441 68.868 0.002 0.000 0.987 171 T HN 1.444 nan 8.240 nan 0.000 0.546 172 A N 1.781 124.621 122.820 0.033 0.000 1.969 172 A HA 0.266 5.175 4.320 0.980 0.000 0.218 172 A C 2.657 180.301 177.584 0.099 0.000 1.169 172 A CA 1.442 53.516 52.037 0.061 0.000 0.635 172 A CB -1.425 17.598 19.000 0.037 0.000 0.810 172 A HN 1.239 nan 8.150 nan 0.000 0.445 173 A N 0.245 123.126 122.820 0.102 0.000 1.883 173 A HA -0.218 4.690 4.320 0.980 0.000 0.217 173 A C 1.902 179.687 177.584 0.336 0.000 1.186 173 A CA 1.734 53.860 52.037 0.148 0.000 0.624 173 A CB -0.593 18.506 19.000 0.165 0.000 0.822 173 A HN 0.635 nan 8.150 nan 0.000 0.444 174 E N -0.415 119.983 120.200 0.330 0.000 2.110 174 E HA -0.198 4.740 4.350 0.980 0.000 0.193 174 E C 1.946 178.739 176.600 0.321 0.000 0.988 174 E CA 1.370 57.965 56.400 0.325 0.000 0.804 174 E CB -0.169 29.586 29.700 0.092 0.000 0.745 174 E HN 0.762 nan 8.360 nan 0.000 0.458 175 E N 0.227 120.586 120.200 0.264 0.000 2.158 175 E HA -0.035 4.903 4.350 0.980 0.000 0.191 175 E C 2.061 178.830 176.600 0.281 0.000 0.982 175 E CA 0.481 57.062 56.400 0.301 0.000 0.823 175 E CB 0.161 30.009 29.700 0.247 0.000 0.766 175 E HN -0.007 nan 8.360 nan 0.000 0.468 176 S N 0.568 116.408 115.700 0.234 0.000 2.387 176 S HA -0.052 5.006 4.470 0.980 0.000 0.226 176 S C 2.062 176.802 174.600 0.233 0.000 1.026 176 S CA 0.755 59.081 58.200 0.209 0.000 0.972 176 S CB -0.003 63.296 63.200 0.166 0.000 0.814 176 S HN 0.352 nan 8.310 nan 0.000 0.477 177 A N 1.433 124.428 122.820 0.293 0.000 1.933 177 A HA 0.108 5.016 4.320 0.980 0.000 0.218 177 A C 2.272 180.005 177.584 0.250 0.000 1.175 177 A CA 1.672 53.899 52.037 0.317 0.000 0.628 177 A CB -0.863 18.434 19.000 0.496 0.000 0.814 177 A HN 0.505 nan 8.150 nan 0.000 0.444 178 A N -0.576 122.398 122.820 0.257 0.000 1.897 178 A HA 0.065 4.973 4.320 0.980 0.000 0.215 178 A C 2.122 179.753 177.584 0.079 0.000 1.181 178 A CA 1.209 53.353 52.037 0.179 0.000 0.620 178 A CB -0.519 18.648 19.000 0.278 0.000 0.821 178 A HN 0.473 nan 8.150 nan 0.000 0.443 179 L N -0.975 120.316 121.223 0.113 0.000 2.127 179 L HA -0.156 4.772 4.340 0.980 0.000 0.211 179 L C 2.399 179.285 176.870 0.026 0.000 1.089 179 L CA 1.360 56.222 54.840 0.037 0.000 0.757 179 L CB -0.350 41.788 42.059 0.131 0.000 0.899 179 L HN 0.254 nan 8.230 nan 0.000 0.434 180 R N -0.276 120.286 120.500 0.103 0.000 2.237 180 R HA -0.086 4.842 4.340 0.980 0.000 0.219 180 R C 1.986 178.353 176.300 0.112 0.000 1.080 180 R CA 1.453 57.631 56.100 0.131 0.000 0.995 180 R CB -1.127 29.272 30.300 0.166 0.000 0.875 180 R HN 0.561 nan 8.270 nan 0.000 0.462 181 T N -3.085 111.495 114.554 0.044 0.000 3.069 181 T HA 0.167 5.105 4.350 0.980 0.000 0.252 181 T C 1.775 176.437 174.700 -0.062 0.000 1.053 181 T CA -0.234 61.861 62.100 -0.008 0.000 0.964 181 T CB 0.013 68.788 68.868 -0.155 0.000 1.005 181 T HN 0.054 nan 8.240 nan 0.000 0.532 182 L N -0.010 121.120 121.223 -0.156 0.000 2.021 182 L HA -0.001 4.927 4.340 0.980 0.000 0.215 182 L C 1.212 177.947 176.870 -0.224 0.000 1.074 182 L CA 1.887 56.514 54.840 -0.356 0.000 0.760 182 L CB -0.269 41.343 42.059 -0.744 0.000 0.889 182 L HN 0.384 nan 8.230 nan 0.000 0.433 183 F N -1.904 118.137 119.950 0.152 0.000 2.647 183 F HA 0.174 5.286 4.527 0.975 0.000 0.300 183 F C 0.628 176.616 175.800 0.314 0.000 1.106 183 F CA -0.334 57.780 58.000 0.191 0.000 1.313 183 F CB 0.682 39.687 39.000 0.008 0.000 1.007 183 F HN -0.095 nan 8.300 nan 0.000 0.536 184 S N 1.453 117.414 115.700 0.436 0.000 2.461 184 S HA 0.391 5.449 4.470 0.980 0.000 0.216 184 S C -0.909 173.845 174.600 0.256 0.000 1.201 184 S CA -0.680 57.779 58.200 0.431 0.000 1.171 184 S CB 0.143 63.594 63.200 0.418 0.000 1.169 184 S HN 0.026 nan 8.310 nan 0.000 0.456 185 R N 3.537 124.166 120.500 0.214 0.000 2.338 185 R HA 0.553 5.481 4.340 0.980 0.000 0.317 185 R C -0.699 175.748 176.300 0.246 0.000 0.968 185 R CA -0.288 55.895 56.100 0.140 0.000 0.849 185 R CB 1.109 31.367 30.300 -0.070 0.000 1.128 185 R HN 0.596 nan 8.270 nan 0.000 0.448 186 M N 1.345 121.203 119.600 0.430 0.000 2.259 186 M HA 0.342 5.410 4.480 0.980 0.000 0.304 186 M C 0.743 177.074 176.300 0.052 0.000 1.019 186 M CA -0.555 54.851 55.300 0.176 0.000 0.922 186 M CB 2.416 35.090 32.600 0.123 0.000 1.600 186 M HN 0.722 nan 8.290 nan 0.000 0.433 187 A N 0.978 123.821 122.820 0.038 0.000 2.067 187 A HA -0.070 4.838 4.320 0.980 0.000 0.219 187 A C 1.967 179.569 177.584 0.030 0.000 1.158 187 A CA 1.818 53.855 52.037 0.001 0.000 0.661 187 A CB -0.548 18.450 19.000 -0.005 0.000 0.801 187 A HN 0.910 nan 8.150 nan 0.000 0.452 188 S N -0.558 115.168 115.700 0.043 0.000 2.474 188 S HA 0.054 5.112 4.470 0.980 0.000 0.235 188 S C 1.182 175.840 174.600 0.096 0.000 0.997 188 S CA 1.073 59.322 58.200 0.081 0.000 0.949 188 S CB -0.351 62.858 63.200 0.016 0.000 0.766 188 S HN 0.449 nan 8.310 nan 0.000 0.517 189 L N 0.551 121.758 121.223 -0.027 0.000 2.857 189 L HA 0.430 5.358 4.340 0.980 0.000 0.249 189 L C 1.495 178.303 176.870 -0.102 0.000 1.172 189 L CA 0.169 54.920 54.840 -0.148 0.000 0.980 189 L CB 0.094 41.892 42.059 -0.436 0.000 1.299 189 L HN 0.504 nan 8.230 nan 0.000 0.535 190 G N -0.327 108.499 108.800 0.044 0.000 2.143 190 G HA2 -0.236 4.312 3.960 0.980 0.000 0.248 190 G HA3 -0.236 4.312 3.960 0.980 0.000 0.248 190 G C 0.148 175.021 174.900 -0.045 0.000 0.991 190 G CA -0.160 44.903 45.100 -0.062 0.000 0.689 190 G HN 0.376 nan 8.290 nan 0.000 0.522 191 H N 0.421 119.497 119.070 0.010 0.000 2.547 191 H HA 0.414 5.558 4.556 0.980 0.000 0.362 191 H C 0.781 176.084 175.328 -0.043 0.000 1.181 191 H CA -0.188 55.853 56.048 -0.011 0.000 1.376 191 H CB 0.673 30.436 29.762 0.002 0.000 1.488 191 H HN 0.287 nan 8.280 nan 0.000 0.583 192 K N 1.414 121.864 120.400 0.083 0.000 2.258 192 K HA 0.292 5.200 4.320 0.980 0.000 0.284 192 K C -0.533 176.052 176.600 -0.025 0.000 1.051 192 K CA -0.528 55.765 56.287 0.011 0.000 0.923 192 K CB 1.157 33.651 32.500 -0.012 0.000 1.046 192 K HN 0.164 nan 8.250 nan 0.000 0.474 193 V N 6.115 126.016 119.914 -0.022 0.000 2.364 193 V HA 0.193 4.901 4.120 0.980 0.000 0.272 193 V C -1.459 174.537 176.094 -0.163 0.000 1.036 193 V CA -1.453 60.809 62.300 -0.063 0.000 0.880 193 V CB 0.644 32.507 31.823 0.066 0.000 0.991 193 V HN 0.773 nan 8.190 nan 0.000 0.460 194 P HA 0.602 nan 4.420 nan 0.000 0.280 194 P C -0.716 176.188 177.300 -0.660 0.000 1.272 194 P CA -0.349 62.422 63.100 -0.549 0.000 0.819 194 P CB 1.863 33.122 31.700 -0.736 0.000 1.122 195 S N -2.448 112.946 115.700 -0.511 0.000 2.643 195 S HA 0.744 5.802 4.470 0.980 0.000 0.270 195 S C 0.021 174.581 174.600 -0.066 0.000 1.166 195 S CA -0.040 57.898 58.200 -0.436 0.000 0.815 195 S CB 0.968 63.524 63.200 -1.073 0.000 1.139 195 S HN 0.986 nan 8.310 nan 0.000 0.472 196 G N 0.875 109.689 108.800 0.024 0.000 2.681 196 G HA2 -0.102 4.446 3.960 0.980 0.000 0.220 196 G HA3 -0.102 4.446 3.960 0.980 0.000 0.220 196 G C -0.720 174.303 174.900 0.206 0.000 1.353 196 G CA -0.451 44.702 45.100 0.089 0.000 0.872 196 G HN 0.879 nan 8.290 nan 0.000 0.557 197 R N -0.543 120.032 120.500 0.124 0.000 2.560 197 R HA 0.677 5.605 4.340 0.980 0.000 0.270 197 R C 0.299 176.664 176.300 0.108 0.000 1.074 197 R CA 0.426 56.581 56.100 0.092 0.000 1.140 197 R CB 1.313 31.642 30.300 0.048 0.000 1.073 197 R HN 0.797 nan 8.270 nan 0.000 0.527 198 T N -0.515 114.061 114.554 0.037 0.000 2.816 198 T HA 0.326 5.264 4.350 0.980 0.000 0.299 198 T C -1.308 173.386 174.700 -0.010 0.000 1.230 198 T CA -0.519 61.608 62.100 0.046 0.000 1.007 198 T CB 1.901 70.822 68.868 0.089 0.000 1.289 198 T HN 0.458 nan 8.240 nan 0.000 0.508 199 T N 3.122 117.677 114.554 0.001 0.000 2.786 199 T HA 0.591 5.529 4.350 0.980 0.000 0.283 199 T C -0.628 174.059 174.700 -0.022 0.000 0.992 199 T CA -0.478 61.612 62.100 -0.017 0.000 0.954 199 T CB 0.464 69.328 68.868 -0.007 0.000 0.934 199 T HN 0.416 nan 8.240 nan 0.000 0.440 200 L N 3.458 124.656 121.223 -0.042 0.000 2.272 200 L HA 0.519 5.447 4.340 0.980 0.000 0.289 200 L C 0.381 177.238 176.870 -0.022 0.000 1.032 200 L CA -0.790 54.034 54.840 -0.027 0.000 0.810 200 L CB 1.299 43.325 42.059 -0.056 0.000 1.205 200 L HN 0.389 nan 8.230 nan 0.000 0.422 201 K N 5.714 126.110 120.400 -0.006 0.000 2.234 201 K HA 0.493 5.401 4.320 0.980 0.000 0.277 201 K C -0.733 175.880 176.600 0.021 0.000 1.038 201 K CA -0.544 55.741 56.287 -0.003 0.000 0.888 201 K CB 1.131 33.626 32.500 -0.008 0.000 1.091 201 K HN 0.544 nan 8.250 nan 0.000 0.467 202 I N 1.047 121.633 120.570 0.026 0.000 3.108 202 I HA 0.603 5.361 4.170 0.980 0.000 0.312 202 I C -1.607 174.538 176.117 0.046 0.000 1.095 202 I CA -1.318 60.022 61.300 0.067 0.000 1.000 202 I CB 1.929 39.983 38.000 0.091 0.000 1.229 202 I HN 0.759 nan 8.210 nan 0.000 0.454 203 R N 2.518 123.057 120.500 0.065 0.000 2.513 203 R HA 0.518 5.446 4.340 0.980 0.000 0.301 203 R C -0.691 175.656 176.300 0.078 0.000 0.968 203 R CA -0.653 55.483 56.100 0.060 0.000 0.872 203 R CB 1.342 31.673 30.300 0.051 0.000 1.177 203 R HN 0.647 nan 8.270 nan 0.000 0.444 204 R N 4.290 124.831 120.500 0.068 0.000 2.679 204 R HA 0.130 5.059 4.340 0.980 0.000 0.269 204 R C -1.666 174.659 176.300 0.043 0.000 1.076 204 R CA -1.930 54.211 56.100 0.069 0.000 1.160 204 R CB 0.232 30.590 30.300 0.096 0.000 1.054 204 R HN 0.576 nan 8.270 nan 0.000 0.507 205 P HA -0.131 nan 4.420 nan 0.000 0.218 205 P C 0.485 177.593 177.300 -0.321 0.000 1.148 205 P CA 1.425 64.403 63.100 -0.203 0.000 0.822 205 P CB 0.081 31.563 31.700 -0.363 0.000 0.784 206 F N -0.600 119.385 119.950 0.057 0.000 2.663 206 F HA 0.373 5.491 4.527 0.985 0.000 0.299 206 F C 1.841 177.665 175.800 0.039 0.000 1.143 206 F CA 0.508 58.534 58.000 0.042 0.000 1.387 206 F CB -0.259 38.757 39.000 0.026 0.000 1.019 206 F HN 0.068 nan 8.300 nan 0.000 0.523 207 G N -0.404 108.480 108.800 0.139 0.000 2.258 207 G HA2 -0.267 4.281 3.960 0.980 0.000 0.233 207 G HA3 -0.267 4.281 3.960 0.980 0.000 0.233 207 G C 0.474 175.426 174.900 0.086 0.000 1.006 207 G CA -0.024 45.140 45.100 0.106 0.000 0.620 207 G HN 0.222 nan 8.290 nan 0.000 0.511 208 T N 1.899 116.511 114.554 0.096 0.000 2.834 208 T HA 0.479 5.417 4.350 0.980 0.000 0.298 208 T C 0.265 174.996 174.700 0.051 0.000 0.966 208 T CA 1.232 63.372 62.100 0.067 0.000 1.141 208 T CB 1.487 70.395 68.868 0.067 0.000 0.905 208 T HN 0.415 nan 8.240 nan 0.000 0.535 209 T N 5.054 119.630 114.554 0.037 0.000 2.771 209 T HA 0.519 5.457 4.350 0.980 0.000 0.281 209 T C -0.564 174.145 174.700 0.015 0.000 0.982 209 T CA -0.985 61.130 62.100 0.026 0.000 0.978 209 T CB 0.202 69.084 68.868 0.023 0.000 0.930 209 T HN 0.324 nan 8.240 nan 0.000 0.447 210 R N 3.831 124.335 120.500 0.007 0.000 2.750 210 R HA 0.437 5.365 4.340 0.980 0.000 0.281 210 R C -0.766 175.526 176.300 -0.013 0.000 0.972 210 R CA -0.791 55.307 56.100 -0.005 0.000 0.912 210 R CB 1.578 31.871 30.300 -0.012 0.000 1.187 210 R HN 0.712 nan 8.270 nan 0.000 0.464 211 E N 1.251 121.441 120.200 -0.016 0.000 2.109 211 E HA 0.320 5.258 4.350 0.980 0.000 0.278 211 E C -0.738 175.843 176.600 -0.031 0.000 0.954 211 E CA -0.558 55.830 56.400 -0.020 0.000 0.779 211 E CB 1.908 31.600 29.700 -0.013 0.000 1.093 211 E HN 0.110 nan 8.360 nan 0.000 0.401 212 V N 4.287 124.172 119.914 -0.048 0.000 2.370 212 V HA 0.314 5.022 4.120 0.980 0.000 0.283 212 V C 0.024 176.085 176.094 -0.054 0.000 1.023 212 V CA -0.787 61.477 62.300 -0.060 0.000 0.857 212 V CB 1.310 33.069 31.823 -0.107 0.000 0.985 212 V HN 0.557 nan 8.190 nan 0.000 0.443 213 R N 3.235 123.715 120.500 -0.034 0.000 2.340 213 R HA 0.612 5.540 4.340 0.980 0.000 0.300 213 R C -0.367 175.917 176.300 -0.026 0.000 1.069 213 R CA -0.010 56.075 56.100 -0.025 0.000 0.984 213 R CB 1.239 31.534 30.300 -0.009 0.000 1.003 213 R HN 0.726 nan 8.270 nan 0.000 0.459 214 V N -0.807 119.079 119.914 -0.047 0.000 3.158 214 V HA 0.696 5.404 4.120 0.980 0.000 0.311 214 V C -0.814 175.240 176.094 -0.067 0.000 1.181 214 V CA -1.050 61.217 62.300 -0.055 0.000 1.054 214 V CB 2.343 34.106 31.823 -0.101 0.000 1.085 214 V HN 0.614 nan 8.190 nan 0.000 0.446 215 K N 0.548 120.912 120.400 -0.060 0.000 2.378 215 K HA 0.483 5.391 4.320 0.980 0.000 0.252 215 K C -1.697 174.904 176.600 0.001 0.000 0.931 215 K CA -0.601 55.687 56.287 0.002 0.000 0.794 215 K CB 1.763 34.303 32.500 0.067 0.000 1.181 215 K HN 0.787 nan 8.250 nan 0.000 0.425 216 W N 2.994 124.333 121.300 0.064 0.000 2.253 216 W HA 0.180 5.427 4.660 0.978 0.000 0.322 216 W C 0.361 176.963 176.519 0.139 0.000 1.342 216 W CA -0.326 57.077 57.345 0.096 0.000 1.218 216 W CB 0.552 30.076 29.460 0.108 0.000 1.205 216 W HN 0.309 nan 8.180 nan 0.000 0.551 217 R N 3.341 124.084 120.500 0.405 0.000 2.291 217 R HA 0.088 5.016 4.340 0.980 0.000 0.333 217 R C -1.019 175.532 176.300 0.419 0.000 1.082 217 R CA -0.443 55.856 56.100 0.332 0.000 0.948 217 R CB -0.654 29.836 30.300 0.317 0.000 1.009 217 R HN 0.338 nan 8.270 nan 0.000 0.460 218 Y N 2.375 122.798 120.300 0.205 0.000 2.331 218 Y HA 0.457 5.595 4.550 0.979 0.000 0.338 218 Y C -0.768 175.190 175.900 0.097 0.000 0.992 218 Y CA -1.139 57.050 58.100 0.148 0.000 1.121 218 Y CB 1.273 39.808 38.460 0.125 0.000 1.184 218 Y HN 0.239 nan 8.280 nan 0.000 0.469 219 V N 9.475 129.120 119.914 -0.448 0.000 2.334 219 V HA 0.363 5.071 4.120 0.980 0.000 0.281 219 V C -2.071 173.531 176.094 -0.819 0.000 1.016 219 V CA -1.931 60.110 62.300 -0.433 0.000 0.832 219 V CB 1.024 32.729 31.823 -0.197 0.000 0.999 219 V HN 0.706 nan 8.190 nan 0.000 0.439 220 P HA 0.135 nan 4.420 nan 0.000 0.272 220 P C -0.419 176.750 177.300 -0.219 0.000 1.240 220 P CA -0.289 62.525 63.100 -0.477 0.000 0.791 220 P CB 1.082 32.715 31.700 -0.112 0.000 0.978 221 E N -0.266 119.878 120.200 -0.094 0.000 2.373 221 E HA 0.324 5.262 4.350 0.980 0.000 0.267 221 E C 1.196 177.781 176.600 -0.025 0.000 1.032 221 E CA 0.263 56.637 56.400 -0.043 0.000 0.889 221 E CB 0.047 29.747 29.700 -0.000 0.000 0.984 221 E HN 0.562 nan 8.360 nan 0.000 0.425 222 G N 2.558 111.347 108.800 -0.018 0.000 2.850 222 G HA2 0.057 4.605 3.960 0.980 0.000 0.211 222 G HA3 0.057 4.605 3.960 0.980 0.000 0.211 222 G C -0.363 174.536 174.900 -0.002 0.000 1.124 222 G CA -0.101 44.992 45.100 -0.011 0.000 0.769 222 G HN 0.384 nan 8.290 nan 0.000 0.535 223 V N 2.470 122.389 119.914 0.007 0.000 2.339 223 V HA 0.515 5.223 4.120 0.980 0.000 0.261 223 V C 1.179 177.280 176.094 0.011 0.000 1.058 223 V CA -0.791 61.516 62.300 0.011 0.000 0.897 223 V CB 0.404 32.246 31.823 0.032 0.000 1.052 223 V HN 0.243 nan 8.190 nan 0.000 0.480 224 G N 3.587 112.390 108.800 0.005 0.000 2.287 224 G HA2 -0.057 4.491 3.960 0.980 0.000 0.235 224 G HA3 -0.057 4.491 3.960 0.980 0.000 0.235 224 G C 0.128 175.035 174.900 0.011 0.000 1.258 224 G CA -0.144 44.961 45.100 0.007 0.000 0.884 224 G HN 0.753 nan 8.290 nan 0.000 0.518 225 D N 1.856 122.264 120.400 0.014 0.000 2.382 225 D HA -0.035 5.193 4.640 0.980 0.000 0.259 225 D C 1.529 177.838 176.300 0.015 0.000 1.224 225 D CA -0.555 53.455 54.000 0.017 0.000 0.894 225 D CB 0.975 41.786 40.800 0.018 0.000 1.127 225 D HN 0.175 nan 8.370 nan 0.000 0.487 226 L N 5.481 126.714 121.223 0.017 0.000 2.187 226 L HA -0.150 4.778 4.340 0.980 0.000 0.213 226 L C 2.172 179.051 176.870 0.014 0.000 1.100 226 L CA 1.943 56.792 54.840 0.015 0.000 0.765 226 L CB -0.356 41.716 42.059 0.020 0.000 0.904 226 L HN 0.569 nan 8.230 nan 0.000 0.437 227 A N -1.989 120.841 122.820 0.017 0.000 1.969 227 A HA -0.152 4.756 4.320 0.980 0.000 0.218 227 A C 2.211 179.798 177.584 0.007 0.000 1.169 227 A CA 1.970 54.014 52.037 0.013 0.000 0.635 227 A CB -0.881 18.126 19.000 0.013 0.000 0.810 227 A HN 0.465 nan 8.150 nan 0.000 0.445 228 T N -0.345 114.213 114.554 0.007 0.000 3.055 228 T HA 0.125 5.063 4.350 0.980 0.000 0.265 228 T C 1.436 176.138 174.700 0.003 0.000 1.111 228 T CA 1.064 63.167 62.100 0.004 0.000 1.118 228 T CB -0.217 68.655 68.868 0.006 0.000 0.909 228 T HN 0.453 nan 8.240 nan 0.000 0.501 229 I N 0.452 121.025 120.570 0.004 0.000 3.708 229 I HA 0.196 4.954 4.170 0.980 0.000 0.302 229 I C 2.655 178.773 176.117 0.002 0.000 1.255 229 I CA 0.121 61.422 61.300 0.002 0.000 1.362 229 I CB -0.238 37.763 38.000 0.002 0.000 1.100 229 I HN 0.092 nan 8.210 nan 0.000 0.434 230 A N 2.904 125.727 122.820 0.004 0.000 1.881 230 A HA -0.204 4.704 4.320 0.980 0.000 0.219 230 A C 0.287 177.873 177.584 0.003 0.000 1.215 230 A CA 2.412 54.452 52.037 0.005 0.000 0.648 230 A CB -2.275 16.729 19.000 0.007 0.000 0.832 230 A HN 0.304 nan 8.150 nan 0.000 0.455 231 P HA -0.137 nan 4.420 nan 0.000 0.218 231 P C 1.098 178.398 177.300 -0.000 0.000 1.146 231 P CA 2.041 65.141 63.100 0.000 0.000 0.813 231 P CB -0.308 31.391 31.700 -0.001 0.000 0.778 232 S N -1.861 113.839 115.700 -0.000 0.000 2.554 232 S HA 0.198 5.256 4.470 0.980 0.000 0.226 232 S C 0.800 175.399 174.600 -0.001 0.000 0.980 232 S CA -0.610 57.590 58.200 -0.001 0.000 0.939 232 S CB -0.837 62.363 63.200 -0.001 0.000 0.832 232 S HN 0.010 nan 8.310 nan 0.000 0.486 233 I N 3.446 124.015 120.570 -0.001 0.000 2.517 233 I HA 0.144 4.902 4.170 0.980 0.000 0.285 233 I C 0.615 176.731 176.117 -0.001 0.000 1.106 233 I CA -0.074 61.226 61.300 -0.001 0.000 1.402 233 I CB 0.408 38.408 38.000 0.000 0.000 1.399 233 I HN 0.123 nan 8.210 nan 0.000 0.535 234 R N 5.101 125.600 120.500 -0.003 0.000 2.457 234 R HA 0.635 5.563 4.340 0.980 0.000 0.284 234 R C -0.066 176.232 176.300 -0.003 0.000 1.024 234 R CA -0.779 55.319 56.100 -0.003 0.000 1.025 234 R CB 1.135 31.433 30.300 -0.003 0.000 1.063 234 R HN 0.696 nan 8.270 nan 0.000 0.493 235 A N 3.767 126.586 122.820 -0.002 0.000 2.445 235 A HA 0.253 5.161 4.320 0.980 0.000 0.242 235 A C -1.745 175.837 177.584 -0.003 0.000 1.075 235 A CA -1.164 50.871 52.037 -0.002 0.000 0.777 235 A CB -0.391 18.608 19.000 -0.001 0.000 1.013 235 A HN 0.535 nan 8.150 nan 0.000 0.493 236 P HA 0.119 nan 4.420 nan 0.000 0.267 236 P C -1.021 176.277 177.300 -0.004 0.000 1.209 236 P CA 0.313 63.410 63.100 -0.004 0.000 0.763 236 P CB 0.615 32.313 31.700 -0.004 0.000 0.816 237 Q N 2.226 122.023 119.800 -0.004 0.000 2.337 237 Q HA 0.416 5.344 4.340 0.980 0.000 0.270 237 Q C -0.088 175.909 176.000 -0.004 0.000 1.043 237 Q CA -0.952 54.849 55.803 -0.004 0.000 0.794 237 Q CB 2.609 31.345 28.738 -0.003 0.000 1.281 237 Q HN 0.498 nan 8.270 nan 0.000 0.446 238 L N 2.514 123.735 121.223 -0.004 0.000 2.417 238 L HA 0.097 5.025 4.340 0.980 0.000 0.268 238 L C 1.107 177.975 176.870 -0.004 0.000 1.158 238 L CA 0.026 54.864 54.840 -0.004 0.000 0.819 238 L CB 0.387 42.444 42.059 -0.003 0.000 1.112 238 L HN 0.760 nan 8.230 nan 0.000 0.458 285 Y N 0.590 121.018 120.300 0.214 0.000 2.462 285 Y HA 0.269 5.382 4.550 0.938 0.000 0.261 285 Y C 1.567 177.587 175.900 0.200 0.000 1.146 285 Y CA -0.151 58.085 58.100 0.226 0.000 1.283 285 Y CB 0.225 38.746 38.460 0.101 0.000 1.090 285 Y HN 0.287 nan 8.280 nan 0.000 0.526 286 N N 0.924 119.788 118.700 0.272 0.000 2.482 286 N HA 0.074 5.402 4.740 0.980 0.000 0.260 286 N C -0.542 175.077 175.510 0.183 0.000 1.236 286 N CA -0.483 52.693 53.050 0.210 0.000 0.938 286 N CB 0.714 39.294 38.487 0.154 0.000 1.128 286 N HN -0.073 nan 8.380 nan 0.000 0.448 287 I N 1.562 122.236 120.570 0.173 0.000 2.683 287 I HA -0.031 4.727 4.170 0.980 0.000 0.286 287 I C 1.624 177.804 176.117 0.105 0.000 1.175 287 I CA 0.970 62.367 61.300 0.161 0.000 1.429 287 I CB -0.303 37.799 38.000 0.170 0.000 1.371 287 I HN 0.933 nan 8.210 nan 0.000 0.569 288 G N 4.526 113.376 108.800 0.083 0.000 2.176 288 G HA2 -0.250 4.298 3.960 0.980 0.000 0.253 288 G HA3 -0.250 4.298 3.960 0.980 0.000 0.253 288 G C 0.535 175.447 174.900 0.019 0.000 0.979 288 G CA 0.389 45.509 45.100 0.034 0.000 0.641 288 G HN 0.754 nan 8.290 nan 0.000 0.530 289 S N 0.196 115.922 115.700 0.043 0.000 2.537 289 S HA 0.425 5.483 4.470 0.980 0.000 0.286 289 S C 1.938 176.542 174.600 0.006 0.000 1.299 289 S CA 1.108 59.328 58.200 0.033 0.000 1.067 289 S CB 0.634 63.867 63.200 0.055 0.000 0.864 289 S HN 0.443 nan 8.310 nan 0.000 0.494 290 T N 4.379 118.931 114.554 -0.003 0.000 2.652 290 T HA -0.108 4.830 4.350 0.980 0.000 0.267 290 T C 1.034 175.751 174.700 0.028 0.000 1.039 290 T CA 1.762 63.855 62.100 -0.011 0.000 1.153 290 T CB -0.397 68.455 68.868 -0.027 0.000 0.863 290 T HN 0.682 nan 8.240 nan 0.000 0.428 291 D N 0.204 120.624 120.400 0.033 0.000 2.234 291 D HA 0.246 5.474 4.640 0.980 0.000 0.205 291 D C 1.443 177.753 176.300 0.016 0.000 0.962 291 D CA 0.988 55.021 54.000 0.055 0.000 0.855 291 D CB -0.446 40.379 40.800 0.043 0.000 0.951 291 D HN 0.532 nan 8.370 nan 0.000 0.500 292 G N 0.866 109.642 108.800 -0.040 0.000 2.642 292 G HA2 -0.240 4.308 3.960 0.980 0.000 0.231 292 G HA3 -0.240 4.308 3.960 0.980 0.000 0.231 292 G C 0.092 174.855 174.900 -0.228 0.000 1.338 292 G CA -0.041 44.955 45.100 -0.173 0.000 0.883 292 G HN 0.312 nan 8.290 nan 0.000 0.570 293 F N -1.497 118.270 119.950 -0.306 0.000 2.781 293 F HA 0.668 5.638 4.527 0.739 0.000 0.322 293 F C 0.368 175.931 175.800 -0.394 0.000 1.108 293 F CA -0.940 56.761 58.000 -0.499 0.000 1.179 293 F CB -0.085 38.245 39.000 -1.117 0.000 1.072 293 F HN 0.352 nan 8.300 nan 0.000 0.545 294 L N 4.708 125.651 121.223 -0.466 0.000 2.292 294 L HA 0.471 5.399 4.340 0.980 0.000 0.284 294 L C -2.043 174.748 176.870 -0.133 0.000 1.065 294 L CA -1.825 52.848 54.840 -0.277 0.000 0.806 294 L CB 1.146 43.075 42.059 -0.218 0.000 1.175 294 L HN -0.069 nan 8.230 nan 0.000 0.431 295 P HA 0.166 nan 4.420 nan 0.000 0.284 295 P C -0.469 176.760 177.300 -0.118 0.000 1.258 295 P CA -0.471 62.602 63.100 -0.044 0.000 0.824 295 P CB 1.512 33.242 31.700 0.050 0.000 1.038 296 V N 1.214 121.008 119.914 -0.199 0.000 2.975 296 V HA -0.117 4.591 4.120 0.980 0.000 0.300 296 V C 1.581 177.626 176.094 -0.082 0.000 1.186 296 V CA 0.296 62.452 62.300 -0.239 0.000 1.311 296 V CB -0.746 30.812 31.823 -0.442 0.000 0.917 296 V HN 0.548 nan 8.190 nan 0.000 0.512 297 I N 0.543 121.117 120.570 0.006 0.000 3.793 297 I HA 0.577 5.335 4.170 0.980 0.000 0.315 297 I C 0.604 176.751 176.117 0.050 0.000 1.275 297 I CA 0.980 62.308 61.300 0.047 0.000 1.214 297 I CB -0.922 37.125 38.000 0.077 0.000 1.018 297 I HN 1.055 nan 8.210 nan 0.000 0.439 298 G N 1.777 110.597 108.800 0.033 0.000 2.342 298 G HA2 0.378 4.926 3.960 0.980 0.000 0.297 298 G HA3 0.378 4.926 3.960 0.980 0.000 0.297 298 G C -3.270 171.627 174.900 -0.005 0.000 1.313 298 G CA -0.648 44.469 45.100 0.029 0.000 0.830 298 G HN -0.009 nan 8.290 nan 0.000 0.506 299 P HA 0.245 nan 4.420 nan 0.000 0.266 299 P C 0.134 177.437 177.300 0.005 0.000 1.215 299 P CA 0.065 63.160 63.100 -0.010 0.000 0.763 299 P CB 1.175 32.881 31.700 0.011 0.000 0.806 300 V N 6.415 126.297 119.914 -0.053 0.000 2.421 300 V HA -0.050 4.658 4.120 0.980 0.000 0.271 300 V C 2.039 178.167 176.094 0.058 0.000 1.031 300 V CA 0.287 62.573 62.300 -0.023 0.000 1.032 300 V CB -0.180 31.548 31.823 -0.159 0.000 1.009 300 V HN 0.525 nan 8.190 nan 0.000 0.477 301 I N 1.985 122.643 120.570 0.146 0.000 3.035 301 I HA 0.313 5.071 4.170 0.980 0.000 0.271 301 I C 0.556 176.830 176.117 0.261 0.000 1.190 301 I CA 0.350 61.748 61.300 0.164 0.000 1.472 301 I CB 0.324 38.419 38.000 0.158 0.000 1.116 301 I HN 0.581 nan 8.210 nan 0.000 0.443 302 W N 1.758 123.124 121.300 0.111 0.000 3.083 302 W HA 0.621 5.868 4.660 0.978 0.000 0.333 302 W C -1.542 175.088 176.519 0.185 0.000 1.217 302 W CA -0.631 56.792 57.345 0.130 0.000 1.170 302 W CB 1.363 30.907 29.460 0.141 0.000 1.437 302 W HN 0.032 nan 8.180 nan 0.000 0.557 303 E N 3.201 122.709 120.200 -1.154 0.000 2.347 303 E HA 0.350 5.288 4.350 0.980 0.000 0.285 303 E C -1.523 174.267 176.600 -1.351 0.000 0.925 303 E CA -0.548 55.275 56.400 -0.962 0.000 0.779 303 E CB 1.955 31.437 29.700 -0.364 0.000 1.233 303 E HN 0.306 nan 8.360 nan 0.000 0.414 304 S N 2.705 117.798 115.700 -1.010 0.000 2.603 304 S HA 0.190 5.248 4.470 0.980 0.000 0.268 304 S C 0.219 174.696 174.600 -0.206 0.000 1.317 304 S CA 0.028 57.938 58.200 -0.484 0.000 1.012 304 S CB 0.883 64.037 63.200 -0.077 0.000 0.926 304 S HN 0.618 nan 8.310 nan 0.000 0.539 305 E N 1.646 121.794 120.200 -0.086 0.000 2.714 305 E HA 0.224 5.162 4.350 0.980 0.000 0.219 305 E C 0.911 177.520 176.600 0.016 0.000 0.979 305 E CA -0.274 56.102 56.400 -0.039 0.000 1.092 305 E CB 0.636 30.308 29.700 -0.048 0.000 1.049 305 E HN 0.727 nan 8.360 nan 0.000 0.487 306 G N 0.949 109.785 108.800 0.059 0.000 2.679 306 G HA2 0.031 4.579 3.960 0.980 0.000 0.202 306 G HA3 0.031 4.579 3.960 0.980 0.000 0.202 306 G C 0.752 175.702 174.900 0.084 0.000 1.566 306 G CA -0.339 44.816 45.100 0.092 0.000 1.074 306 G HN 0.055 nan 8.290 nan 0.000 0.564 307 L N -1.040 120.242 121.223 0.099 0.000 2.127 307 L HA 0.372 5.300 4.340 0.980 0.000 0.203 307 L C 0.937 177.766 176.870 -0.068 0.000 1.080 307 L CA 0.499 55.319 54.840 -0.033 0.000 0.768 307 L CB -0.487 41.485 42.059 -0.146 0.000 0.924 307 L HN 0.263 nan 8.230 nan 0.000 0.444 308 F N -0.398 119.595 119.950 0.072 0.000 2.403 308 F HA 0.270 5.383 4.527 0.976 0.000 0.320 308 F C 1.022 176.868 175.800 0.077 0.000 1.176 308 F CA -0.282 57.763 58.000 0.075 0.000 1.206 308 F CB 0.159 39.208 39.000 0.083 0.000 1.235 308 F HN -0.195 nan 8.300 nan 0.000 0.565 309 R N 1.412 122.105 120.500 0.322 0.000 2.239 309 R HA 0.724 5.652 4.340 0.980 0.000 0.332 309 R C -1.596 174.907 176.300 0.338 0.000 0.988 309 R CA -0.296 55.977 56.100 0.288 0.000 0.859 309 R CB 0.359 30.830 30.300 0.285 0.000 1.148 309 R HN 0.791 nan 8.270 nan 0.000 0.482 310 A N 4.105 127.120 122.820 0.326 0.000 2.549 310 A HA 0.669 5.577 4.320 0.980 0.000 0.297 310 A C -1.877 175.971 177.584 0.439 0.000 1.061 310 A CA -0.722 51.522 52.037 0.346 0.000 0.690 310 A CB 1.206 20.373 19.000 0.278 0.000 1.287 310 A HN 0.790 nan 8.150 nan 0.000 0.402 311 Y N -1.348 119.265 120.300 0.521 0.000 2.741 311 Y HA 0.769 5.903 4.550 0.974 0.000 0.339 311 Y C -1.575 174.580 175.900 0.426 0.000 1.226 311 Y CA -1.512 56.847 58.100 0.432 0.000 1.072 311 Y CB 0.662 39.223 38.460 0.169 0.000 1.331 311 Y HN 0.557 nan 8.280 nan 0.000 0.453 312 I N 2.092 123.043 120.570 0.634 0.000 2.474 312 I HA 0.650 5.409 4.170 0.980 0.000 0.294 312 I C -0.557 175.773 176.117 0.355 0.000 1.005 312 I CA -0.693 60.786 61.300 0.299 0.000 1.113 312 I CB 2.087 40.224 38.000 0.228 0.000 1.289 312 I HN 0.662 nan 8.210 nan 0.000 0.436 313 S N 2.425 118.270 115.700 0.242 0.000 2.599 313 S HA 0.491 5.549 4.470 0.980 0.000 0.294 313 S C -0.528 174.146 174.600 0.123 0.000 1.094 313 S CA -0.738 57.588 58.200 0.210 0.000 0.931 313 S CB 2.051 65.408 63.200 0.261 0.000 1.093 313 S HN 0.675 nan 8.310 nan 0.000 0.488 314 S N 1.010 116.772 115.700 0.102 0.000 2.488 314 S HA 0.480 5.538 4.470 0.980 0.000 0.310 314 S C -0.527 174.124 174.600 0.085 0.000 1.093 314 S CA -0.660 57.591 58.200 0.086 0.000 1.129 314 S CB 0.258 63.499 63.200 0.069 0.000 0.989 314 S HN 0.385 nan 8.310 nan 0.000 0.479 315 V N 4.235 124.206 119.914 0.095 0.000 2.368 315 V HA 0.332 5.040 4.120 0.980 0.000 0.266 315 V C 0.929 177.089 176.094 0.111 0.000 1.045 315 V CA -0.493 61.856 62.300 0.080 0.000 0.899 315 V CB 0.693 32.547 31.823 0.051 0.000 1.006 315 V HN 0.976 nan 8.190 nan 0.000 0.470 316 T N 1.586 116.196 114.554 0.093 0.000 2.727 316 T HA 0.255 5.193 4.350 0.980 0.000 0.295 316 T C 0.214 174.967 174.700 0.088 0.000 0.915 316 T CA -0.946 61.220 62.100 0.111 0.000 1.066 316 T CB 0.359 69.269 68.868 0.071 0.000 0.891 316 T HN 0.754 nan 8.240 nan 0.000 0.516 317 D N 3.650 124.117 120.400 0.113 0.000 2.174 317 D HA 0.066 5.294 4.640 0.980 0.000 0.245 317 D C 1.802 178.124 176.300 0.037 0.000 1.301 317 D CA 0.282 54.301 54.000 0.031 0.000 0.959 317 D CB -0.516 40.280 40.800 -0.007 0.000 1.231 317 D HN 0.527 nan 8.370 nan 0.000 0.535 318 G N -1.379 107.433 108.800 0.019 0.000 2.479 318 G HA2 -0.202 4.346 3.960 0.980 0.000 0.220 318 G HA3 -0.202 4.346 3.960 0.980 0.000 0.220 318 G C 0.230 175.147 174.900 0.029 0.000 1.115 318 G CA 0.891 46.004 45.100 0.020 0.000 0.757 318 G HN 0.574 nan 8.290 nan 0.000 0.560 319 D N -0.563 119.861 120.400 0.041 0.000 2.895 319 D HA 0.393 5.622 4.640 0.980 0.000 0.258 319 D C 1.553 177.879 176.300 0.043 0.000 1.311 319 D CA 0.274 54.297 54.000 0.039 0.000 0.843 319 D CB 0.022 40.846 40.800 0.040 0.000 1.055 319 D HN 0.154 nan 8.370 nan 0.000 0.486 320 G N 0.982 109.808 108.800 0.044 0.000 2.230 320 G HA2 -0.407 4.141 3.960 0.980 0.000 0.270 320 G HA3 -0.407 4.141 3.960 0.980 0.000 0.270 320 G C 0.805 175.734 174.900 0.049 0.000 0.987 320 G CA 0.465 45.590 45.100 0.042 0.000 0.664 320 G HN 0.303 nan 8.290 nan 0.000 0.539 321 K N 1.839 122.280 120.400 0.067 0.000 2.338 321 K HA 0.481 5.390 4.320 0.980 0.000 0.290 321 K C 0.403 177.064 176.600 0.102 0.000 1.069 321 K CA -0.227 56.089 56.287 0.049 0.000 0.941 321 K CB 0.083 32.608 32.500 0.042 0.000 1.023 321 K HN 0.128 nan 8.250 nan 0.000 0.477 322 S N 4.994 120.712 115.700 0.030 0.000 2.531 322 S HA 0.168 5.226 4.470 0.980 0.000 0.279 322 S C -0.303 174.287 174.600 -0.017 0.000 1.305 322 S CA -0.391 57.845 58.200 0.060 0.000 1.058 322 S CB 0.095 63.311 63.200 0.026 0.000 0.899 322 S HN 0.500 nan 8.310 nan 0.000 0.493 323 H N 1.614 120.690 119.070 0.009 0.000 2.572 323 H HA 0.308 5.454 4.556 0.982 0.000 0.359 323 H C -0.453 174.878 175.328 0.005 0.000 1.134 323 H CA -0.820 55.230 56.048 0.004 0.000 1.187 323 H CB 1.456 31.219 29.762 0.002 0.000 1.597 323 H HN 0.419 nan 8.280 nan 0.000 0.524 324 K N 2.626 123.085 120.400 0.098 0.000 2.267 324 K HA 0.325 5.233 4.320 0.980 0.000 0.282 324 K C -0.726 175.886 176.600 0.019 0.000 1.078 324 K CA -0.411 55.906 56.287 0.049 0.000 0.903 324 K CB 1.204 33.713 32.500 0.015 0.000 1.111 324 K HN 0.176 nan 8.250 nan 0.000 0.475 325 V N 2.214 122.130 119.914 0.003 0.000 2.495 325 V HA 0.393 5.101 4.120 0.980 0.000 0.298 325 V C 0.574 176.564 176.094 -0.173 0.000 1.031 325 V CA -0.927 61.338 62.300 -0.058 0.000 0.871 325 V CB 1.815 33.636 31.823 -0.004 0.000 0.988 325 V HN 0.900 nan 8.190 nan 0.000 0.432 326 G N 2.404 110.962 108.800 -0.404 0.000 2.451 326 G HA2 0.626 5.175 3.960 0.980 0.000 0.303 326 G HA3 0.626 5.175 3.960 0.980 0.000 0.303 326 G C -1.457 173.186 174.900 -0.429 0.000 1.166 326 G CA -0.291 44.342 45.100 -0.779 0.000 0.884 326 G HN 0.562 nan 8.290 nan 0.000 0.514 327 F N 2.159 121.757 119.950 -0.587 0.000 2.557 327 F HA 0.629 5.733 4.527 0.961 0.000 0.316 327 F C -1.201 174.464 175.800 -0.224 0.000 1.141 327 F CA -1.252 56.467 58.000 -0.469 0.000 0.922 327 F CB 1.809 40.295 39.000 -0.857 0.000 1.194 327 F HN 0.416 nan 8.300 nan 0.000 0.443 328 L N 7.166 127.946 121.223 -0.738 0.000 2.408 328 L HA 0.619 5.547 4.340 0.980 0.000 0.268 328 L C -1.668 174.862 176.870 -0.567 0.000 0.986 328 L CA -0.629 53.969 54.840 -0.403 0.000 0.820 328 L CB 2.036 44.000 42.059 -0.159 0.000 1.303 328 L HN 0.906 nan 8.230 nan 0.000 0.411 329 R N 5.449 125.818 120.500 -0.218 0.000 2.343 329 R HA 0.553 5.481 4.340 0.980 0.000 0.320 329 R C -1.130 175.207 176.300 0.061 0.000 0.956 329 R CA -0.733 55.299 56.100 -0.114 0.000 0.836 329 R CB 1.247 31.570 30.300 0.037 0.000 1.151 329 R HN 0.603 nan 8.270 nan 0.000 0.450 330 I N 8.599 129.147 120.570 -0.036 0.000 2.310 330 I HA 0.210 4.968 4.170 0.980 0.000 0.287 330 I C -1.535 174.497 176.117 -0.141 0.000 1.073 330 I CA -2.558 58.697 61.300 -0.074 0.000 1.216 330 I CB 1.338 39.143 38.000 -0.325 0.000 1.415 330 I HN 0.566 nan 8.210 nan 0.000 0.480 331 P HA -0.031 nan 4.420 nan 0.000 0.218 331 P C 0.661 177.879 177.300 -0.137 0.000 1.152 331 P CA 1.039 64.086 63.100 -0.089 0.000 0.826 331 P CB 0.982 32.645 31.700 -0.061 0.000 0.790 332 T N -2.869 111.551 114.554 -0.224 0.000 2.769 332 T HA 0.420 5.358 4.350 0.980 0.000 0.306 332 T C -1.076 173.421 174.700 -0.338 0.000 1.400 332 T CA -0.420 61.552 62.100 -0.214 0.000 1.007 332 T CB 0.457 69.271 68.868 -0.089 0.000 1.392 332 T HN -0.221 nan 8.240 nan 0.000 0.500 333 Y N 0.821 121.221 120.300 0.165 0.000 2.481 333 Y HA 0.299 5.435 4.550 0.977 0.000 0.247 333 Y C 1.426 177.454 175.900 0.213 0.000 1.151 333 Y CA -0.480 57.825 58.100 0.342 0.000 1.238 333 Y CB 0.851 39.462 38.460 0.251 0.000 1.179 333 Y HN 0.518 nan 8.280 nan 0.000 0.524 334 S N 0.965 116.697 115.700 0.054 0.000 2.912 334 S HA 0.005 5.063 4.470 0.980 0.000 0.184 334 S C 1.030 175.371 174.600 -0.431 0.000 1.390 334 S CA -1.008 57.070 58.200 -0.203 0.000 1.088 334 S CB -0.937 62.156 63.200 -0.179 0.000 1.284 334 S HN 0.548 nan 8.310 nan 0.000 0.502 335 W N 2.071 123.027 121.300 -0.573 0.000 2.279 335 W HA -0.306 4.941 4.660 0.977 0.000 0.298 335 W C 0.774 176.795 176.519 -0.830 0.000 1.228 335 W CA 1.414 58.318 57.345 -0.735 0.000 1.230 335 W CB -1.212 27.628 29.460 -1.033 0.000 1.138 335 W HN 0.548 nan 8.180 nan 0.000 0.532 336 Q N 0.429 119.432 119.800 -1.329 0.000 2.224 336 Q HA -0.127 4.801 4.340 0.980 0.000 0.203 336 Q C 1.324 177.001 176.000 -0.539 0.000 0.970 336 Q CA 1.576 56.643 55.803 -1.227 0.000 0.865 336 Q CB -0.290 27.812 28.738 -1.061 0.000 0.922 336 Q HN 0.316 nan 8.270 nan 0.000 0.445 337 D N -0.134 120.022 120.400 -0.407 0.000 2.339 337 D HA 0.064 5.292 4.640 0.980 0.000 0.217 337 D C 0.542 176.768 176.300 -0.123 0.000 1.050 337 D CA 0.231 54.114 54.000 -0.195 0.000 0.856 337 D CB 0.153 40.851 40.800 -0.171 0.000 0.922 337 D HN 0.246 nan 8.370 nan 0.000 0.518 338 M N 1.104 120.607 119.600 -0.161 0.000 2.247 338 M HA -0.037 5.031 4.480 0.980 0.000 0.318 338 M C 0.565 176.859 176.300 -0.010 0.000 1.054 338 M CA 0.698 55.939 55.300 -0.098 0.000 1.117 338 M CB 0.456 32.971 32.600 -0.142 0.000 1.515 338 M HN -0.175 nan 8.290 nan 0.000 0.442 339 E N 2.043 122.226 120.200 -0.029 0.000 2.417 339 E HA -0.066 4.872 4.350 0.980 0.000 0.261 339 E C -0.258 176.349 176.600 0.012 0.000 1.000 339 E CA -0.006 56.390 56.400 -0.007 0.000 0.919 339 E CB 0.202 29.892 29.700 -0.017 0.000 0.955 339 E HN 0.587 nan 8.360 nan 0.000 0.455 340 D N 1.052 121.464 120.400 0.021 0.000 3.079 340 D HA -0.241 4.987 4.640 0.980 0.000 0.214 340 D C -0.115 176.199 176.300 0.023 0.000 1.145 340 D CA 0.786 54.791 54.000 0.007 0.000 0.958 340 D CB -1.420 39.376 40.800 -0.008 0.000 1.117 340 D HN 0.378 nan 8.370 nan 0.000 0.416 341 F N 2.323 122.233 119.950 -0.066 0.000 2.563 341 F HA 0.210 5.325 4.527 0.981 0.000 0.363 341 F C 0.454 176.230 175.800 -0.039 0.000 1.123 341 F CA -0.027 57.939 58.000 -0.056 0.000 1.307 341 F CB 0.629 39.596 39.000 -0.056 0.000 1.115 341 F HN -0.175 nan 8.300 nan 0.000 0.592 342 D N 8.376 128.118 120.400 -1.097 0.000 2.505 342 D HA 0.221 5.450 4.640 0.980 0.000 0.250 342 D C -1.917 173.686 176.300 -1.162 0.000 1.164 342 D CA -1.779 51.691 54.000 -0.883 0.000 0.870 342 D CB 2.236 42.797 40.800 -0.398 0.000 1.160 342 D HN 0.292 nan 8.370 nan 0.000 0.549 343 P HA -0.136 nan 4.420 nan 0.000 0.215 343 P C 0.647 177.843 177.300 -0.172 0.000 1.157 343 P CA 0.706 63.584 63.100 -0.369 0.000 0.868 343 P CB -0.064 31.591 31.700 -0.075 0.000 0.788 344 S N -0.111 115.488 115.700 -0.169 0.000 4.120 344 S HA 0.513 5.571 4.470 0.980 0.000 0.215 344 S C 0.628 175.164 174.600 -0.107 0.000 1.347 344 S CA -0.044 58.099 58.200 -0.094 0.000 0.889 344 S CB -0.980 62.175 63.200 -0.075 0.000 1.585 344 S HN 0.465 nan 8.310 nan 0.000 0.447 345 G N 1.696 110.438 108.800 -0.097 0.000 2.322 345 G HA2 0.442 4.990 3.960 0.980 0.000 0.295 345 G HA3 0.442 4.990 3.960 0.980 0.000 0.295 345 G C -3.381 171.476 174.900 -0.073 0.000 1.369 345 G CA -1.076 43.973 45.100 -0.085 0.000 0.821 345 G HN 0.274 nan 8.290 nan 0.000 0.536 346 P HA 0.230 nan 4.420 nan 0.000 0.264 346 P C -2.331 174.882 177.300 -0.145 0.000 1.193 346 P CA -0.439 62.610 63.100 -0.084 0.000 0.763 346 P CB 0.369 32.039 31.700 -0.049 0.000 0.810 347 P HA 0.103 nan 4.420 nan 0.000 0.272 347 P C -1.801 175.129 177.300 -0.615 0.000 1.223 347 P CA -1.473 61.197 63.100 -0.717 0.000 0.784 347 P CB 0.035 30.675 31.700 -1.766 0.000 0.923 348 P HA -0.162 nan 4.420 nan 0.000 0.217 348 P C 1.287 178.739 177.300 0.254 0.000 1.148 348 P CA 1.700 64.835 63.100 0.059 0.000 0.828 348 P CB -0.466 31.303 31.700 0.115 0.000 0.783 349 W N 1.091 122.526 121.300 0.226 0.000 2.425 349 W HA 0.059 5.306 4.660 0.978 0.000 0.277 349 W C 1.734 178.341 176.519 0.146 0.000 1.231 349 W CA 0.622 58.074 57.345 0.178 0.000 1.248 349 W CB -1.717 27.779 29.460 0.059 0.000 1.117 349 W HN -0.029 nan 8.180 nan 0.000 0.568 350 E N 0.653 120.852 120.200 -0.002 0.000 2.152 350 E HA -0.210 4.728 4.350 0.980 0.000 0.192 350 E C 2.015 178.662 176.600 0.079 0.000 0.983 350 E CA 1.382 57.825 56.400 0.072 0.000 0.818 350 E CB -0.227 29.454 29.700 -0.031 0.000 0.758 350 E HN 0.506 nan 8.360 nan 0.000 0.467 351 E N 0.049 120.316 120.200 0.111 0.000 2.152 351 E HA -0.162 4.776 4.350 0.980 0.000 0.192 351 E C 1.702 178.335 176.600 0.054 0.000 0.983 351 E CA 0.368 56.848 56.400 0.134 0.000 0.818 351 E CB -0.008 29.850 29.700 0.264 0.000 0.758 351 E HN 0.164 nan 8.360 nan 0.000 0.467 352 F N 1.027 120.922 119.950 -0.093 0.000 2.134 352 F HA -0.107 5.006 4.527 0.976 0.000 0.299 352 F C 2.073 177.717 175.800 -0.261 0.000 1.097 352 F CA 1.477 59.265 58.000 -0.353 0.000 1.264 352 F CB -0.304 38.517 39.000 -0.297 0.000 1.001 352 F HN 0.072 nan 8.300 nan 0.000 0.479 353 A N 0.392 123.216 122.820 0.006 0.000 1.902 353 A HA -0.170 4.738 4.320 0.980 0.000 0.217 353 A C 2.261 179.741 177.584 -0.173 0.000 1.181 353 A CA 1.522 53.499 52.037 -0.099 0.000 0.623 353 A CB -0.515 18.454 19.000 -0.051 0.000 0.818 353 A HN 0.253 nan 8.150 nan 0.000 0.443 354 K N -0.005 120.319 120.400 -0.126 0.000 2.002 354 K HA -0.092 4.816 4.320 0.980 0.000 0.209 354 K C 1.844 178.307 176.600 -0.228 0.000 1.048 354 K CA 1.174 57.391 56.287 -0.116 0.000 0.930 354 K CB -0.770 31.709 32.500 -0.035 0.000 0.714 354 K HN 0.452 nan 8.250 nan 0.000 0.438 355 I N 1.706 122.070 120.570 -0.343 0.000 2.208 355 I HA -0.242 4.516 4.170 0.980 0.000 0.245 355 I C 2.318 177.902 176.117 -0.887 0.000 1.097 355 I CA 1.075 62.029 61.300 -0.577 0.000 1.363 355 I CB -1.004 36.571 38.000 -0.709 0.000 1.051 355 I HN 0.026 nan 8.210 nan 0.000 0.413 356 I N 0.495 120.604 120.570 -0.768 0.000 2.315 356 I HA -0.246 4.512 4.170 0.980 0.000 0.248 356 I C 2.531 178.493 176.117 -0.258 0.000 1.117 356 I CA 1.188 62.147 61.300 -0.569 0.000 1.404 356 I CB -1.176 36.568 38.000 -0.426 0.000 1.071 356 I HN 0.381 nan 8.210 nan 0.000 0.419 357 Q N 0.136 119.802 119.800 -0.224 0.000 2.135 357 Q HA -0.156 4.772 4.340 0.980 0.000 0.204 357 Q C 2.416 178.342 176.000 -0.124 0.000 0.981 357 Q CA 1.354 57.084 55.803 -0.121 0.000 0.856 357 Q CB -0.044 28.633 28.738 -0.102 0.000 0.902 357 Q HN 0.359 nan 8.270 nan 0.000 0.425 358 V N 0.057 119.834 119.914 -0.228 0.000 2.358 358 V HA -0.210 4.498 4.120 0.980 0.000 0.246 358 V C 1.815 177.880 176.094 -0.049 0.000 1.047 358 V CA 1.620 63.761 62.300 -0.265 0.000 1.035 358 V CB -0.546 30.936 31.823 -0.568 0.000 0.658 358 V HN 0.379 nan 8.190 nan 0.000 0.452 359 F N -0.036 119.783 119.950 -0.219 0.000 2.259 359 F HA -0.122 4.992 4.527 0.978 0.000 0.298 359 F C 2.642 178.496 175.800 0.089 0.000 1.088 359 F CA 0.712 58.666 58.000 -0.076 0.000 1.358 359 F CB -0.178 38.767 39.000 -0.091 0.000 1.040 359 F HN 0.128 nan 8.300 nan 0.000 0.505 360 S N -0.332 115.525 115.700 0.262 0.000 2.419 360 S HA -0.142 4.916 4.470 0.980 0.000 0.233 360 S C 1.967 176.575 174.600 0.013 0.000 1.016 360 S CA 1.356 59.618 58.200 0.103 0.000 0.974 360 S CB -0.146 63.080 63.200 0.044 0.000 0.786 360 S HN 0.241 nan 8.310 nan 0.000 0.492 361 S N 1.606 117.311 115.700 0.008 0.000 2.460 361 S HA 0.160 5.218 4.470 0.980 0.000 0.226 361 S C 0.958 175.537 174.600 -0.035 0.000 1.057 361 S CA 0.106 58.288 58.200 -0.030 0.000 0.948 361 S CB 0.005 63.172 63.200 -0.054 0.000 0.822 361 S HN 0.455 nan 8.310 nan 0.000 0.512 362 N N 2.412 121.088 118.700 -0.040 0.000 2.389 362 N HA 0.163 5.491 4.740 0.980 0.000 0.260 362 N C -0.296 175.183 175.510 -0.051 0.000 1.191 362 N CA 0.152 53.167 53.050 -0.058 0.000 0.885 362 N CB 0.992 39.407 38.487 -0.120 0.000 1.162 362 N HN 0.544 nan 8.380 nan 0.000 0.512 363 T N -3.437 111.107 114.554 -0.018 0.000 2.868 363 T HA 0.429 5.368 4.350 0.980 0.000 0.306 363 T C 0.080 174.794 174.700 0.024 0.000 1.224 363 T CA -0.663 61.421 62.100 -0.026 0.000 1.012 363 T CB 2.266 71.068 68.868 -0.109 0.000 1.221 363 T HN -0.072 nan 8.240 nan 0.000 0.499 364 E N -0.106 120.117 120.200 0.038 0.000 2.562 364 E HA 0.568 5.506 4.350 0.980 0.000 0.214 364 E C 0.351 176.997 176.600 0.075 0.000 0.979 364 E CA -0.265 56.166 56.400 0.051 0.000 1.002 364 E CB 1.202 30.956 29.700 0.090 0.000 1.048 364 E HN 0.904 nan 8.360 nan 0.000 0.488 365 A N 0.998 123.880 122.820 0.103 0.000 2.586 365 A HA 0.645 5.553 4.320 0.980 0.000 0.291 365 A C -2.071 175.555 177.584 0.070 0.000 1.062 365 A CA -0.620 51.492 52.037 0.126 0.000 0.666 365 A CB 1.319 20.346 19.000 0.046 0.000 1.281 365 A HN 0.084 nan 8.150 nan 0.000 0.421 366 L N 1.167 122.410 121.223 0.033 0.000 2.470 366 L HA 0.628 5.556 4.340 0.980 0.000 0.268 366 L C -1.864 174.950 176.870 -0.093 0.000 0.964 366 L CA -0.702 54.050 54.840 -0.147 0.000 0.839 366 L CB 1.657 43.479 42.059 -0.395 0.000 1.276 366 L HN 0.717 nan 8.230 nan 0.000 0.403 367 I N 5.506 126.013 120.570 -0.106 0.000 2.321 367 I HA 0.330 5.088 4.170 0.980 0.000 0.291 367 I C -0.142 175.853 176.117 -0.203 0.000 0.998 367 I CA -0.141 61.122 61.300 -0.062 0.000 1.227 367 I CB 1.382 39.426 38.000 0.074 0.000 1.368 367 I HN 0.272 nan 8.210 nan 0.000 0.466 368 I N 5.468 125.966 120.570 -0.120 0.000 2.312 368 I HA 0.195 4.953 4.170 0.980 0.000 0.290 368 I C -0.058 175.975 176.117 -0.139 0.000 1.008 368 I CA -0.572 60.639 61.300 -0.148 0.000 1.226 368 I CB 1.071 39.126 38.000 0.091 0.000 1.371 368 I HN 0.468 nan 8.210 nan 0.000 0.468 369 D N 6.485 126.684 120.400 -0.334 0.000 2.365 369 D HA 0.089 5.317 4.640 0.980 0.000 0.237 369 D C 0.265 176.519 176.300 -0.077 0.000 1.190 369 D CA 0.176 54.092 54.000 -0.140 0.000 0.867 369 D CB 0.890 41.624 40.800 -0.111 0.000 1.050 369 D HN 0.480 nan 8.370 nan 0.000 0.491 370 Q N 2.936 122.742 119.800 0.009 0.000 2.157 370 Q HA 0.092 5.020 4.340 0.980 0.000 0.229 370 Q C -0.217 175.807 176.000 0.040 0.000 0.827 370 Q CA -0.261 55.550 55.803 0.012 0.000 1.055 370 Q CB 0.471 29.260 28.738 0.086 0.000 1.157 370 Q HN 0.642 nan 8.270 nan 0.000 0.482 371 T N -1.376 113.198 114.554 0.033 0.000 2.828 371 T HA 0.162 5.100 4.350 0.980 0.000 0.290 371 T C 0.454 175.194 174.700 0.067 0.000 1.019 371 T CA -0.352 61.783 62.100 0.060 0.000 1.031 371 T CB 0.468 69.391 68.868 0.091 0.000 1.001 371 T HN 0.293 nan 8.240 nan 0.000 0.531 372 N N 0.952 119.720 118.700 0.114 0.000 2.705 372 N HA -0.175 5.153 4.740 0.980 0.000 0.255 372 N C -1.001 174.583 175.510 0.124 0.000 1.008 372 N CA 0.640 53.782 53.050 0.153 0.000 0.742 372 N CB -1.474 37.145 38.487 0.219 0.000 0.906 372 N HN 0.778 nan 8.380 nan 0.000 0.541 373 N N 0.332 119.102 118.700 0.116 0.000 2.372 373 N HA 0.333 5.661 4.740 0.980 0.000 0.285 373 N C -2.049 173.600 175.510 0.232 0.000 1.008 373 N CA -1.874 51.246 53.050 0.118 0.000 0.880 373 N CB 1.719 40.256 38.487 0.083 0.000 1.239 373 N HN -0.063 nan 8.380 nan 0.000 0.484 374 P HA 0.156 nan 4.420 nan 0.000 0.249 374 P C 0.624 178.059 177.300 0.225 0.000 1.229 374 P CA 0.547 63.786 63.100 0.232 0.000 0.788 374 P CB 0.285 32.036 31.700 0.085 0.000 1.072 375 G N -0.754 108.213 108.800 0.280 0.000 2.568 375 G HA2 0.186 4.734 3.960 0.980 0.000 0.222 375 G HA3 0.186 4.734 3.960 0.980 0.000 0.222 375 G C -0.005 175.071 174.900 0.292 0.000 1.321 375 G CA -0.181 45.109 45.100 0.316 0.000 0.893 375 G HN 0.648 nan 8.290 nan 0.000 0.569 376 G N -1.826 107.103 108.800 0.216 0.000 2.384 376 G HA2 0.509 5.057 3.960 0.980 0.000 0.113 376 G HA3 0.509 5.057 3.960 0.980 0.000 0.113 376 G C 0.330 175.323 174.900 0.155 0.000 1.224 376 G CA 1.005 46.206 45.100 0.170 0.000 1.126 376 G HN 2.350 nan 8.290 nan 0.000 0.461 377 S N 0.483 116.307 115.700 0.206 0.000 2.465 377 S HA 0.363 5.421 4.470 0.980 0.000 0.280 377 S C 1.765 176.450 174.600 0.141 0.000 1.232 377 S CA 0.329 58.644 58.200 0.190 0.000 1.066 377 S CB 0.940 64.316 63.200 0.293 0.000 0.929 377 S HN 1.178 nan 8.310 nan 0.000 0.494 378 V N 7.227 127.135 119.914 -0.011 0.000 2.287 378 V HA -0.204 4.504 4.120 0.980 0.000 0.248 378 V C 2.350 178.113 176.094 -0.552 0.000 1.053 378 V CA 1.992 64.143 62.300 -0.249 0.000 1.027 378 V CB -0.905 30.787 31.823 -0.219 0.000 0.646 378 V HN 0.868 nan 8.190 nan 0.000 0.447 379 L N -1.211 119.742 121.223 -0.449 0.000 2.042 379 L HA -0.235 4.693 4.340 0.980 0.000 0.210 379 L C 2.547 179.334 176.870 -0.139 0.000 1.076 379 L CA 2.138 56.703 54.840 -0.459 0.000 0.749 379 L CB -0.737 41.082 42.059 -0.401 0.000 0.893 379 L HN 0.415 nan 8.230 nan 0.000 0.432 380 Y N 0.272 120.512 120.300 -0.100 0.000 2.224 380 Y HA -0.259 4.878 4.550 0.978 0.000 0.289 380 Y C 2.354 178.300 175.900 0.078 0.000 1.146 380 Y CA 1.310 59.415 58.100 0.008 0.000 1.182 380 Y CB -0.127 38.472 38.460 0.232 0.000 0.983 380 Y HN 0.051 nan 8.280 nan 0.000 0.524 381 L N -0.855 120.363 121.223 -0.008 0.000 2.056 381 L HA -0.244 4.684 4.340 0.980 0.000 0.207 381 L C 1.872 178.806 176.870 0.107 0.000 1.078 381 L CA 1.924 56.707 54.840 -0.095 0.000 0.749 381 L CB -0.933 40.969 42.059 -0.262 0.000 0.901 381 L HN 0.245 nan 8.230 nan 0.000 0.433 382 Y N 0.446 120.720 120.300 -0.042 0.000 2.293 382 Y HA -0.087 5.050 4.550 0.978 0.000 0.291 382 Y C 2.802 178.808 175.900 0.176 0.000 1.137 382 Y CA 0.493 58.594 58.100 0.002 0.000 1.202 382 Y CB -1.419 36.910 38.460 -0.218 0.000 0.990 382 Y HN 0.260 nan 8.280 nan 0.000 0.537 383 A N 0.551 123.532 122.820 0.269 0.000 1.851 383 A HA -0.172 4.736 4.320 0.980 0.000 0.216 383 A C 2.416 180.011 177.584 0.019 0.000 1.195 383 A CA 1.753 53.894 52.037 0.173 0.000 0.622 383 A CB -1.163 17.808 19.000 -0.049 0.000 0.831 383 A HN 0.409 nan 8.150 nan 0.000 0.444 384 L N -0.805 120.283 121.223 -0.225 0.000 2.042 384 L HA -0.194 4.734 4.340 0.980 0.000 0.210 384 L C 2.596 179.473 176.870 0.012 0.000 1.076 384 L CA 1.188 55.779 54.840 -0.414 0.000 0.749 384 L CB -0.678 40.931 42.059 -0.750 0.000 0.893 384 L HN 0.365 nan 8.230 nan 0.000 0.432 385 L N -0.110 121.205 121.223 0.153 0.000 2.191 385 L HA -0.176 4.752 4.340 0.980 0.000 0.212 385 L C 2.793 179.768 176.870 0.175 0.000 1.103 385 L CA 1.409 56.377 54.840 0.214 0.000 0.769 385 L CB -0.409 41.765 42.059 0.192 0.000 0.908 385 L HN 0.406 nan 8.230 nan 0.000 0.438 386 S N -1.151 114.670 115.700 0.201 0.000 2.489 386 S HA -0.070 4.988 4.470 0.980 0.000 0.228 386 S C 1.663 176.375 174.600 0.187 0.000 0.995 386 S CA 0.489 58.803 58.200 0.191 0.000 0.934 386 S CB -0.151 63.168 63.200 0.197 0.000 0.771 386 S HN 0.406 nan 8.310 nan 0.000 0.522 387 M N 0.576 120.286 119.600 0.185 0.000 2.431 387 M HA 0.388 5.456 4.480 0.980 0.000 0.237 387 M C 0.325 176.753 176.300 0.215 0.000 1.130 387 M CA 0.300 55.703 55.300 0.172 0.000 1.002 387 M CB 0.123 32.825 32.600 0.170 0.000 1.524 387 M HN 0.287 nan 8.290 nan 0.000 0.482 388 L N -1.123 120.232 121.223 0.219 0.000 3.069 388 L HA 0.281 5.209 4.340 0.980 0.000 0.271 388 L C 0.420 177.404 176.870 0.189 0.000 1.201 388 L CA -0.096 54.884 54.840 0.234 0.000 1.015 388 L CB 0.755 42.956 42.059 0.236 0.000 1.371 388 L HN 0.005 nan 8.230 nan 0.000 0.574 389 T N -1.255 113.383 114.554 0.141 0.000 2.894 389 T HA 0.295 5.233 4.350 0.980 0.000 0.309 389 T C -0.920 173.820 174.700 0.067 0.000 1.208 389 T CA -0.390 61.763 62.100 0.089 0.000 1.016 389 T CB 1.838 70.738 68.868 0.055 0.000 1.192 389 T HN 0.270 nan 8.240 nan 0.000 0.491 390 D N 1.146 121.568 120.400 0.036 0.000 2.469 390 D HA 0.197 5.425 4.640 0.980 0.000 0.213 390 D C 0.538 176.847 176.300 0.015 0.000 1.135 390 D CA -0.333 53.681 54.000 0.023 0.000 0.834 390 D CB 0.233 41.034 40.800 0.002 0.000 1.009 390 D HN 0.633 nan 8.370 nan 0.000 0.507 391 R N -0.117 120.391 120.500 0.014 0.000 2.744 391 R HA 0.590 5.518 4.340 0.980 0.000 0.279 391 R C -3.101 173.200 176.300 0.001 0.000 0.977 391 R CA -1.938 54.165 56.100 0.006 0.000 0.906 391 R CB 1.236 31.533 30.300 -0.006 0.000 1.197 391 R HN -0.225 nan 8.270 nan 0.000 0.463 392 P HA 0.099 nan 4.420 nan 0.000 0.269 392 P C -0.774 176.477 177.300 -0.081 0.000 1.215 392 P CA -0.180 62.890 63.100 -0.049 0.000 0.780 392 P CB 0.840 32.517 31.700 -0.038 0.000 0.898 393 L N 1.655 122.802 121.223 -0.128 0.000 2.346 393 L HA 0.389 5.317 4.340 0.980 0.000 0.276 393 L C 0.790 177.558 176.870 -0.171 0.000 1.006 393 L CA -1.040 53.722 54.840 -0.130 0.000 0.817 393 L CB 1.596 43.581 42.059 -0.122 0.000 1.272 393 L HN 0.239 nan 8.230 nan 0.000 0.421 394 E N 3.214 123.327 120.200 -0.145 0.000 2.373 394 E HA 0.367 5.306 4.350 0.980 0.000 0.267 394 E C -0.731 175.760 176.600 -0.182 0.000 1.032 394 E CA -0.065 56.244 56.400 -0.152 0.000 0.889 394 E CB 1.618 31.247 29.700 -0.118 0.000 0.984 394 E HN 0.394 nan 8.360 nan 0.000 0.425 395 L N 4.199 125.301 121.223 -0.200 0.000 2.334 395 L HA 0.410 5.338 4.340 0.980 0.000 0.273 395 L C -1.924 174.835 176.870 -0.185 0.000 1.013 395 L CA -2.025 52.684 54.840 -0.218 0.000 0.816 395 L CB 1.678 43.570 42.059 -0.279 0.000 1.278 395 L HN 0.289 nan 8.230 nan 0.000 0.431 396 P HA 0.227 nan 4.420 nan 0.000 0.272 396 P C -1.302 175.893 177.300 -0.176 0.000 1.240 396 P CA -0.388 62.570 63.100 -0.236 0.000 0.791 396 P CB 1.096 32.581 31.700 -0.358 0.000 0.978 397 K N -0.188 120.110 120.400 -0.169 0.000 2.352 397 K HA 0.494 5.402 4.320 0.980 0.000 0.240 397 K C -0.215 176.318 176.600 -0.111 0.000 1.017 397 K CA -0.751 55.510 56.287 -0.044 0.000 0.851 397 K CB 1.520 33.999 32.500 -0.035 0.000 1.261 397 K HN 0.570 nan 8.250 nan 0.000 0.451 398 H N 1.208 120.268 119.070 -0.017 0.000 2.529 398 H HA 0.280 5.424 4.556 0.980 0.000 0.348 398 H C -0.571 174.779 175.328 0.036 0.000 1.079 398 H CA -0.934 55.125 56.048 0.019 0.000 1.198 398 H CB 1.634 31.448 29.762 0.087 0.000 1.521 398 H HN 0.164 nan 8.280 nan 0.000 0.514 399 R N 3.481 124.043 120.500 0.103 0.000 2.202 399 R HA 0.317 5.245 4.340 0.980 0.000 0.334 399 R C -0.154 176.191 176.300 0.074 0.000 1.036 399 R CA -0.299 55.851 56.100 0.083 0.000 0.878 399 R CB 0.741 31.090 30.300 0.082 0.000 1.067 399 R HN 0.551 nan 8.270 nan 0.000 0.457 400 M N 2.536 122.192 119.600 0.093 0.000 2.598 400 M HA 0.417 5.485 4.480 0.980 0.000 0.317 400 M C -0.280 176.060 176.300 0.067 0.000 1.201 400 M CA -1.106 54.246 55.300 0.085 0.000 0.971 400 M CB 1.419 34.135 32.600 0.193 0.000 1.657 400 M HN 0.164 nan 8.290 nan 0.000 0.470 401 I N 2.647 123.247 120.570 0.050 0.000 2.331 401 I HA 0.403 5.161 4.170 0.980 0.000 0.292 401 I C -0.636 175.541 176.117 0.099 0.000 0.998 401 I CA -0.341 60.994 61.300 0.058 0.000 1.267 401 I CB 0.775 38.793 38.000 0.030 0.000 1.386 401 I HN 0.486 nan 8.210 nan 0.000 0.476 402 L N 6.106 127.414 121.223 0.143 0.000 2.334 402 L HA 0.765 5.694 4.340 0.980 0.000 0.276 402 L C 0.244 177.280 176.870 0.276 0.000 1.014 402 L CA -0.554 54.404 54.840 0.198 0.000 0.815 402 L CB 1.915 44.149 42.059 0.291 0.000 1.268 402 L HN 0.682 nan 8.230 nan 0.000 0.428 403 T N -2.821 111.809 114.554 0.126 0.000 2.887 403 T HA 0.222 5.160 4.350 0.980 0.000 0.292 403 T C 0.465 175.010 174.700 -0.259 0.000 1.087 403 T CA -0.842 61.309 62.100 0.084 0.000 1.009 403 T CB 1.682 70.558 68.868 0.012 0.000 1.203 403 T HN 0.573 nan 8.240 nan 0.000 0.518 404 Q N 0.583 120.170 119.800 -0.355 0.000 2.439 404 Q HA -0.137 4.791 4.340 0.980 0.000 0.211 404 Q C 1.131 176.941 176.000 -0.316 0.000 0.978 404 Q CA 1.418 56.899 55.803 -0.536 0.000 0.897 404 Q CB -0.638 27.885 28.738 -0.358 0.000 0.956 404 Q HN 0.819 nan 8.270 nan 0.000 0.483 405 D N 1.854 122.136 120.400 -0.197 0.000 2.097 405 D HA -0.184 5.044 4.640 0.980 0.000 0.195 405 D C 1.158 177.369 176.300 -0.149 0.000 0.989 405 D CA 1.492 55.407 54.000 -0.142 0.000 0.827 405 D CB 0.228 40.963 40.800 -0.108 0.000 0.966 405 D HN 0.245 nan 8.370 nan 0.000 0.456 406 E N -0.266 119.845 120.200 -0.148 0.000 2.150 406 E HA -0.055 4.883 4.350 0.980 0.000 0.193 406 E C 2.287 178.791 176.600 -0.160 0.000 0.985 406 E CA 0.373 56.709 56.400 -0.107 0.000 0.814 406 E CB -0.167 29.508 29.700 -0.041 0.000 0.752 406 E HN 0.177 nan 8.360 nan 0.000 0.466 407 V N 0.133 119.862 119.914 -0.308 0.000 2.407 407 V HA -0.209 4.499 4.120 0.980 0.000 0.248 407 V C 2.160 178.116 176.094 -0.230 0.000 1.055 407 V CA 1.249 63.331 62.300 -0.363 0.000 1.049 407 V CB -0.423 30.969 31.823 -0.719 0.000 0.662 407 V HN 0.140 nan 8.190 nan 0.000 0.455 408 V N 0.068 119.857 119.914 -0.209 0.000 2.427 408 V HA -0.217 4.491 4.120 0.980 0.000 0.248 408 V C 2.297 178.329 176.094 -0.104 0.000 1.051 408 V CA 1.987 64.201 62.300 -0.143 0.000 1.048 408 V CB -0.642 31.101 31.823 -0.133 0.000 0.666 408 V HN 0.549 nan 8.190 nan 0.000 0.456 409 D N 0.520 120.865 120.400 -0.092 0.000 2.123 409 D HA -0.148 5.080 4.640 0.980 0.000 0.196 409 D C 2.245 178.571 176.300 0.044 0.000 0.992 409 D CA 1.672 55.628 54.000 -0.072 0.000 0.833 409 D CB -0.222 40.565 40.800 -0.022 0.000 0.954 409 D HN 0.447 nan 8.370 nan 0.000 0.455 410 A N 0.851 123.726 122.820 0.092 0.000 1.877 410 A HA -0.142 4.766 4.320 0.980 0.000 0.216 410 A C 2.444 180.113 177.584 0.141 0.000 1.186 410 A CA 1.001 53.139 52.037 0.167 0.000 0.620 410 A CB -0.882 18.101 19.000 -0.030 0.000 0.822 410 A HN 0.203 nan 8.150 nan 0.000 0.443 411 L N -0.461 120.778 121.223 0.027 0.000 2.079 411 L HA -0.219 4.709 4.340 0.980 0.000 0.210 411 L C 2.107 178.998 176.870 0.034 0.000 1.081 411 L CA 1.460 56.313 54.840 0.021 0.000 0.752 411 L CB -0.663 41.378 42.059 -0.030 0.000 0.896 411 L HN 0.304 nan 8.230 nan 0.000 0.433 412 D N -0.787 119.600 120.400 -0.021 0.000 2.117 412 D HA -0.206 5.022 4.640 0.980 0.000 0.197 412 D C 1.949 178.226 176.300 -0.039 0.000 0.987 412 D CA 1.280 55.226 54.000 -0.090 0.000 0.829 412 D CB -0.228 40.437 40.800 -0.224 0.000 0.961 412 D HN 0.358 nan 8.370 nan 0.000 0.460 413 W N 0.905 122.239 121.300 0.056 0.000 2.358 413 W HA -0.040 5.208 4.660 0.980 0.000 0.303 413 W C 2.342 178.908 176.519 0.078 0.000 1.208 413 W CA 0.244 57.642 57.345 0.088 0.000 1.274 413 W CB -0.361 29.189 29.460 0.151 0.000 1.138 413 W HN -0.035 nan 8.180 nan 0.000 0.515 414 L N -0.127 121.279 121.223 0.304 0.000 2.083 414 L HA -0.217 4.711 4.340 0.980 0.000 0.209 414 L C 2.688 179.635 176.870 0.129 0.000 1.083 414 L CA 1.846 56.800 54.840 0.189 0.000 0.752 414 L CB -1.434 40.704 42.059 0.132 0.000 0.899 414 L HN 0.110 nan 8.230 nan 0.000 0.433 415 T N -2.300 112.310 114.554 0.093 0.000 2.851 415 T HA -0.148 4.790 4.350 0.980 0.000 0.262 415 T C 1.934 176.674 174.700 0.068 0.000 1.043 415 T CA 0.424 62.560 62.100 0.060 0.000 1.140 415 T CB -0.451 68.433 68.868 0.026 0.000 0.872 415 T HN 0.177 nan 8.240 nan 0.000 0.446 416 L N 0.594 121.865 121.223 0.079 0.000 2.081 416 L HA 0.075 5.003 4.340 0.980 0.000 0.212 416 L C 1.614 178.557 176.870 0.122 0.000 1.080 416 L CA 1.855 56.747 54.840 0.086 0.000 0.754 416 L CB -0.556 41.555 42.059 0.086 0.000 0.893 416 L HN 0.398 nan 8.230 nan 0.000 0.433 417 L N -0.799 120.520 121.223 0.159 0.000 2.818 417 L HA 0.112 5.040 4.340 0.980 0.000 0.243 417 L C 1.886 178.819 176.870 0.104 0.000 1.185 417 L CA -0.239 54.687 54.840 0.143 0.000 0.988 417 L CB 0.154 42.324 42.059 0.185 0.000 1.292 417 L HN 0.209 nan 8.230 nan 0.000 0.519 418 E N 1.403 121.656 120.200 0.087 0.000 2.085 418 E HA -0.219 4.719 4.350 0.980 0.000 0.194 418 E C 0.918 177.549 176.600 0.052 0.000 0.994 418 E CA 1.478 57.918 56.400 0.066 0.000 0.801 418 E CB 0.164 29.896 29.700 0.053 0.000 0.743 418 E HN 0.574 nan 8.360 nan 0.000 0.453 419 N N -0.668 118.061 118.700 0.049 0.000 2.251 419 N HA 0.084 5.412 4.740 0.980 0.000 0.217 419 N C -1.257 174.275 175.510 0.038 0.000 1.124 419 N CA -0.397 52.675 53.050 0.038 0.000 0.843 419 N CB 1.407 39.913 38.487 0.032 0.000 1.024 419 N HN -0.128 nan 8.380 nan 0.000 0.501 420 V N 1.290 121.232 119.914 0.047 0.000 2.408 420 V HA 0.120 4.828 4.120 0.980 0.000 0.267 420 V C 0.135 176.247 176.094 0.030 0.000 1.047 420 V CA 0.291 62.616 62.300 0.043 0.000 0.937 420 V CB 1.201 33.060 31.823 0.060 0.000 0.999 420 V HN 0.268 nan 8.190 nan 0.000 0.472 421 D N 2.354 122.764 120.400 0.017 0.000 2.563 421 D HA 0.137 5.365 4.640 0.980 0.000 0.256 421 D C 0.455 176.752 176.300 -0.005 0.000 1.400 421 D CA 0.268 54.272 54.000 0.007 0.000 0.800 421 D CB 1.630 42.435 40.800 0.008 0.000 1.145 421 D HN 0.723 nan 8.370 nan 0.000 0.501 422 T N -2.880 111.670 114.554 -0.007 0.000 2.843 422 T HA 0.245 5.183 4.350 0.980 0.000 0.302 422 T C 0.868 175.554 174.700 -0.022 0.000 1.232 422 T CA -0.648 61.442 62.100 -0.018 0.000 1.009 422 T CB 1.981 70.841 68.868 -0.013 0.000 1.254 422 T HN -0.362 nan 8.240 nan 0.000 0.504 423 N N 0.475 119.154 118.700 -0.035 0.000 2.069 423 N HA -0.121 5.207 4.740 0.980 0.000 0.191 423 N C 2.069 177.564 175.510 -0.025 0.000 1.031 423 N CA 1.406 54.430 53.050 -0.042 0.000 0.852 423 N CB -0.763 37.690 38.487 -0.057 0.000 1.018 423 N HN 0.471 nan 8.380 nan 0.000 0.423 424 V N 1.909 121.811 119.914 -0.019 0.000 2.282 424 V HA -0.231 4.477 4.120 0.980 0.000 0.249 424 V C 2.209 178.305 176.094 0.003 0.000 1.057 424 V CA 1.713 64.008 62.300 -0.009 0.000 1.032 424 V CB -0.562 31.257 31.823 -0.007 0.000 0.645 424 V HN 0.334 nan 8.190 nan 0.000 0.447 425 E N -0.169 120.034 120.200 0.006 0.000 2.106 425 E HA -0.163 4.775 4.350 0.980 0.000 0.192 425 E C 2.432 179.047 176.600 0.026 0.000 0.984 425 E CA 1.353 57.763 56.400 0.017 0.000 0.806 425 E CB -0.189 29.521 29.700 0.018 0.000 0.750 425 E HN 0.519 nan 8.360 nan 0.000 0.458 426 S N 0.450 116.161 115.700 0.019 0.000 2.370 426 S HA -0.158 4.900 4.470 0.980 0.000 0.226 426 S C 1.836 176.458 174.600 0.037 0.000 1.033 426 S CA 1.097 59.315 58.200 0.029 0.000 1.011 426 S CB -0.095 63.110 63.200 0.007 0.000 0.852 426 S HN 0.210 nan 8.310 nan 0.000 0.457 427 R N -0.041 120.471 120.500 0.021 0.000 2.153 427 R HA 0.115 5.043 4.340 0.980 0.000 0.218 427 R C 1.815 178.137 176.300 0.036 0.000 1.072 427 R CA 0.520 56.635 56.100 0.025 0.000 0.990 427 R CB -0.236 30.069 30.300 0.008 0.000 0.889 427 R HN 0.240 nan 8.270 nan 0.000 0.452 428 L N 0.024 121.267 121.223 0.034 0.000 2.141 428 L HA -0.069 4.860 4.340 0.980 0.000 0.209 428 L C 2.202 179.101 176.870 0.049 0.000 1.094 428 L CA 1.620 56.483 54.840 0.037 0.000 0.763 428 L CB -0.483 41.595 42.059 0.030 0.000 0.908 428 L HN 0.137 nan 8.230 nan 0.000 0.437 429 A N -1.639 121.217 122.820 0.059 0.000 1.943 429 A HA 0.096 5.004 4.320 0.980 0.000 0.213 429 A C 2.058 179.700 177.584 0.097 0.000 1.181 429 A CA 0.859 52.942 52.037 0.077 0.000 0.653 429 A CB -0.195 18.859 19.000 0.090 0.000 0.833 429 A HN 0.345 nan 8.150 nan 0.000 0.451 430 L N -1.788 119.494 121.223 0.098 0.000 2.609 430 L HA 0.424 5.352 4.340 0.980 0.000 0.230 430 L C 1.067 177.988 176.870 0.086 0.000 1.087 430 L CA 0.427 55.335 54.840 0.113 0.000 0.874 430 L CB 0.110 42.247 42.059 0.130 0.000 1.114 430 L HN 0.561 nan 8.230 nan 0.000 0.488 431 G N 0.071 108.911 108.800 0.067 0.000 2.612 431 G HA2 -0.193 4.355 3.960 0.980 0.000 0.686 431 G HA3 -0.193 4.355 3.960 0.980 0.000 0.686 431 G C -0.371 174.553 174.900 0.040 0.000 1.274 431 G CA -0.351 44.784 45.100 0.058 0.000 0.849 431 G HN -0.002 nan 8.290 nan 0.000 0.595 432 D N 0.591 121.014 120.400 0.038 0.000 2.265 432 D HA -0.054 5.174 4.640 0.980 0.000 0.208 432 D C 1.324 177.619 176.300 -0.009 0.000 0.977 432 D CA 2.085 56.095 54.000 0.017 0.000 0.871 432 D CB -0.069 40.752 40.800 0.033 0.000 0.925 432 D HN 0.798 nan 8.370 nan 0.000 0.485 433 N N -1.221 117.474 118.700 -0.008 0.000 2.961 433 N HA 0.153 5.481 4.740 0.980 0.000 0.245 433 N C -1.454 174.007 175.510 -0.082 0.000 1.404 433 N CA -0.589 52.423 53.050 -0.064 0.000 0.880 433 N CB 1.135 39.540 38.487 -0.136 0.000 1.461 433 N HN -0.227 nan 8.380 nan 0.000 0.510 434 M N 1.124 120.664 119.600 -0.101 0.000 2.023 434 M HA 0.243 5.311 4.480 0.980 0.000 0.325 434 M C -0.396 175.712 176.300 -0.320 0.000 0.963 434 M CA -0.030 55.197 55.300 -0.123 0.000 0.928 434 M CB 0.601 33.178 32.600 -0.038 0.000 1.429 434 M HN 0.668 nan 8.290 nan 0.000 0.404 435 E N 1.505 121.349 120.200 -0.593 0.000 2.360 435 E HA -0.268 4.670 4.350 0.980 0.000 0.238 435 E C 0.909 176.578 176.600 -1.551 0.000 1.186 435 E CA 0.593 56.290 56.400 -1.172 0.000 0.719 435 E CB -1.485 28.018 29.700 -0.328 0.000 1.236 435 E HN 1.245 nan 8.360 nan 0.000 0.386 436 G N -0.522 107.200 108.800 -1.795 0.000 2.258 436 G HA2 -0.385 4.163 3.960 0.980 0.000 0.233 436 G HA3 -0.385 4.163 3.960 0.980 0.000 0.233 436 G C -0.115 174.574 174.900 -0.352 0.000 1.006 436 G CA 0.118 44.466 45.100 -1.254 0.000 0.620 436 G HN 0.376 nan 8.290 nan 0.000 0.511 437 Y N 3.540 123.649 120.300 -0.317 0.000 2.393 437 Y HA 0.512 5.649 4.550 0.979 0.000 0.338 437 Y C 1.016 176.860 175.900 -0.092 0.000 1.029 437 Y CA 0.369 58.411 58.100 -0.096 0.000 1.239 437 Y CB 0.621 39.089 38.460 0.012 0.000 1.170 437 Y HN 0.129 nan 8.280 nan 0.000 0.515 438 T N 6.014 120.244 114.554 -0.541 0.000 2.822 438 T HA 0.064 5.002 4.350 0.980 0.000 0.288 438 T C -0.088 174.463 174.700 -0.249 0.000 0.991 438 T CA -0.001 61.856 62.100 -0.405 0.000 1.176 438 T CB -0.232 68.319 68.868 -0.529 0.000 0.951 438 T HN 0.388 nan 8.240 nan 0.000 0.526 439 V N 4.532 124.381 119.914 -0.109 0.000 2.498 439 V HA 0.449 5.157 4.120 0.980 0.000 0.279 439 V C 0.280 176.329 176.094 -0.074 0.000 1.048 439 V CA -0.242 62.040 62.300 -0.030 0.000 0.967 439 V CB 1.571 33.401 31.823 0.012 0.000 0.988 439 V HN 0.934 nan 8.190 nan 0.000 0.473 440 D N 2.489 122.847 120.400 -0.070 0.000 2.615 440 D HA 0.224 5.452 4.640 0.980 0.000 0.267 440 D C 0.509 176.753 176.300 -0.093 0.000 1.236 440 D CA -0.769 53.167 54.000 -0.106 0.000 0.839 440 D CB 1.520 42.216 40.800 -0.172 0.000 1.380 440 D HN 0.288 nan 8.370 nan 0.000 0.433 441 L N 1.530 122.693 121.223 -0.101 0.000 2.081 441 L HA -0.172 4.756 4.340 0.980 0.000 0.212 441 L C 1.792 178.581 176.870 -0.135 0.000 1.080 441 L CA 2.265 57.053 54.840 -0.088 0.000 0.754 441 L CB -0.582 41.427 42.059 -0.084 0.000 0.893 441 L HN 0.669 nan 8.230 nan 0.000 0.433 442 Q N -0.398 119.268 119.800 -0.223 0.000 2.084 442 Q HA -0.165 4.763 4.340 0.980 0.000 0.202 442 Q C 2.058 177.808 176.000 -0.416 0.000 0.978 442 Q CA 2.380 57.952 55.803 -0.384 0.000 0.844 442 Q CB -0.446 27.989 28.738 -0.505 0.000 0.898 442 Q HN 0.369 nan 8.270 nan 0.000 0.426 443 V N 0.764 120.538 119.914 -0.232 0.000 2.295 443 V HA -0.289 4.419 4.120 0.980 0.000 0.246 443 V C 2.322 178.467 176.094 0.085 0.000 1.049 443 V CA 1.871 64.137 62.300 -0.058 0.000 1.024 443 V CB -1.238 30.609 31.823 0.041 0.000 0.648 443 V HN 0.577 nan 8.190 nan 0.000 0.447 444 A N -0.681 122.161 122.820 0.037 0.000 1.902 444 A HA -0.202 4.706 4.320 0.980 0.000 0.217 444 A C 2.179 179.810 177.584 0.079 0.000 1.181 444 A CA 1.635 53.718 52.037 0.075 0.000 0.623 444 A CB -0.432 18.601 19.000 0.056 0.000 0.818 444 A HN 0.515 nan 8.150 nan 0.000 0.443 445 E N -0.714 119.495 120.200 0.015 0.000 2.110 445 E HA -0.174 4.764 4.350 0.980 0.000 0.193 445 E C 1.775 178.465 176.600 0.150 0.000 0.988 445 E CA 1.047 57.466 56.400 0.032 0.000 0.804 445 E CB -0.472 29.192 29.700 -0.059 0.000 0.745 445 E HN 0.868 nan 8.360 nan 0.000 0.458 446 Y N 0.630 120.969 120.300 0.065 0.000 2.145 446 Y HA -0.188 4.950 4.550 0.980 0.000 0.286 446 Y C 2.490 178.475 175.900 0.141 0.000 1.145 446 Y CA 0.428 58.603 58.100 0.124 0.000 1.148 446 Y CB -0.058 38.497 38.460 0.157 0.000 0.981 446 Y HN 0.000 nan 8.280 nan 0.000 0.507 447 L N -0.105 121.267 121.223 0.249 0.000 2.093 447 L HA -0.239 4.689 4.340 0.980 0.000 0.208 447 L C 2.206 179.128 176.870 0.087 0.000 1.085 447 L CA 1.422 56.253 54.840 -0.015 0.000 0.755 447 L CB -0.400 41.521 42.059 -0.230 0.000 0.904 447 L HN 0.137 nan 8.230 nan 0.000 0.435 448 K N -0.740 119.746 120.400 0.143 0.000 2.097 448 K HA -0.138 4.770 4.320 0.980 0.000 0.205 448 K C 2.412 179.098 176.600 0.143 0.000 1.050 448 K CA 1.391 57.769 56.287 0.152 0.000 0.938 448 K CB -0.204 32.371 32.500 0.125 0.000 0.718 448 K HN 0.089 nan 8.250 nan 0.000 0.442 449 S N 0.458 116.255 115.700 0.162 0.000 2.382 449 S HA -0.169 4.889 4.470 0.980 0.000 0.228 449 S C 1.743 176.419 174.600 0.126 0.000 1.027 449 S CA 0.972 59.258 58.200 0.144 0.000 0.991 449 S CB -0.289 63.026 63.200 0.192 0.000 0.823 449 S HN 0.362 nan 8.310 nan 0.000 0.469 450 F N 2.084 122.037 119.950 0.006 0.000 2.102 450 F HA 0.106 5.222 4.527 0.981 0.000 0.298 450 F C 2.230 178.023 175.800 -0.013 0.000 1.105 450 F CA 1.636 59.608 58.000 -0.046 0.000 1.239 450 F CB -1.033 37.871 39.000 -0.161 0.000 0.991 450 F HN 0.252 nan 8.300 nan 0.000 0.474 451 G N 0.172 108.983 108.800 0.019 0.000 2.422 451 G HA2 -0.217 4.331 3.960 0.980 0.000 0.218 451 G HA3 -0.217 4.331 3.960 0.980 0.000 0.218 451 G C 1.831 176.686 174.900 -0.075 0.000 1.146 451 G CA 0.582 45.668 45.100 -0.023 0.000 0.769 451 G HN 0.329 nan 8.290 nan 0.000 0.547 452 R N -0.239 120.248 120.500 -0.022 0.000 2.115 452 R HA 0.021 4.949 4.340 0.980 0.000 0.226 452 R C 2.765 179.038 176.300 -0.045 0.000 1.100 452 R CA 1.024 57.118 56.100 -0.011 0.000 0.980 452 R CB -0.184 30.131 30.300 0.026 0.000 0.875 452 R HN 0.442 nan 8.270 nan 0.000 0.445 453 Q N -0.059 119.686 119.800 -0.091 0.000 2.119 453 Q HA -0.091 4.837 4.340 0.980 0.000 0.201 453 Q C 2.134 178.056 176.000 -0.130 0.000 0.972 453 Q CA 1.192 56.938 55.803 -0.095 0.000 0.847 453 Q CB 0.119 28.800 28.738 -0.096 0.000 0.903 453 Q HN 0.138 nan 8.270 nan 0.000 0.433 454 V N 1.087 120.847 119.914 -0.258 0.000 2.358 454 V HA -0.233 4.476 4.120 0.980 0.000 0.246 454 V C 2.125 178.193 176.094 -0.044 0.000 1.047 454 V CA 1.413 63.587 62.300 -0.209 0.000 1.035 454 V CB -0.400 31.200 31.823 -0.372 0.000 0.658 454 V HN 0.352 nan 8.190 nan 0.000 0.452 455 L N 0.010 121.208 121.223 -0.042 0.000 2.093 455 L HA -0.175 4.753 4.340 0.980 0.000 0.208 455 L C 2.390 179.320 176.870 0.100 0.000 1.085 455 L CA 1.861 56.727 54.840 0.043 0.000 0.755 455 L CB -0.752 41.317 42.059 0.017 0.000 0.904 455 L HN 0.394 nan 8.230 nan 0.000 0.435 456 N N -0.327 118.401 118.700 0.047 0.000 2.120 456 N HA -0.165 5.163 4.740 0.980 0.000 0.188 456 N C 1.925 177.470 175.510 0.057 0.000 1.024 456 N CA 1.462 54.540 53.050 0.047 0.000 0.852 456 N CB -0.199 38.300 38.487 0.020 0.000 1.003 456 N HN 0.233 nan 8.380 nan 0.000 0.424 457 C N -0.375 118.960 119.300 0.059 0.000 2.429 457 C HA -0.093 4.955 4.460 0.980 0.000 0.277 457 C C 2.414 177.464 174.990 0.101 0.000 1.262 457 C CA 0.356 59.412 59.018 0.063 0.000 1.733 457 C CB -1.532 26.244 27.740 0.060 0.000 2.010 457 C HN 0.637 nan 8.230 nan 0.000 0.483 458 W N 2.096 123.376 121.300 -0.032 0.000 2.335 458 W HA -0.206 5.042 4.660 0.980 0.000 0.311 458 W C 2.535 179.045 176.519 -0.015 0.000 1.213 458 W CA 2.253 59.584 57.345 -0.023 0.000 1.274 458 W CB -0.577 28.867 29.460 -0.026 0.000 1.148 458 W HN 0.489 nan 8.180 nan 0.000 0.498 459 S N 0.356 116.114 115.700 0.096 0.000 2.442 459 S HA -0.156 4.902 4.470 0.980 0.000 0.236 459 S C 1.475 176.030 174.600 -0.075 0.000 1.007 459 S CA 1.242 59.440 58.200 -0.004 0.000 0.965 459 S CB -0.436 62.804 63.200 0.067 0.000 0.773 459 S HN 0.326 nan 8.310 nan 0.000 0.504 460 K N 0.470 120.832 120.400 -0.064 0.000 2.393 460 K HA 0.294 5.202 4.320 0.980 0.000 0.193 460 K C 1.257 177.792 176.600 -0.108 0.000 1.026 460 K CA 0.373 56.620 56.287 -0.067 0.000 1.064 460 K CB 0.032 32.514 32.500 -0.031 0.000 0.833 460 K HN 0.514 nan 8.250 nan 0.000 0.521 461 G N 2.596 111.285 108.800 -0.185 0.000 2.159 461 G HA2 -0.256 4.292 3.960 0.980 0.000 0.256 461 G HA3 -0.256 4.292 3.960 0.980 0.000 0.256 461 G C -0.146 174.674 174.900 -0.133 0.000 0.977 461 G CA 0.349 45.319 45.100 -0.217 0.000 0.652 461 G HN 0.390 nan 8.290 nan 0.000 0.531 462 D N 0.787 121.140 120.400 -0.078 0.000 2.713 462 D HA 0.379 5.607 4.640 0.980 0.000 0.229 462 D C 1.814 178.115 176.300 0.003 0.000 1.136 462 D CA 0.051 54.036 54.000 -0.026 0.000 1.010 462 D CB -0.799 39.998 40.800 -0.004 0.000 1.084 462 D HN 0.652 nan 8.370 nan 0.000 0.495 463 I N -2.453 118.107 120.570 -0.017 0.000 4.227 463 I HA 0.300 5.058 4.170 0.980 0.000 0.334 463 I C 1.062 177.207 176.117 0.046 0.000 1.341 463 I CA -0.346 60.980 61.300 0.043 0.000 1.123 463 I CB 0.518 38.529 38.000 0.019 0.000 1.097 463 I HN -0.137 nan 8.210 nan 0.000 0.399 464 E N 1.743 121.953 120.200 0.017 0.000 2.086 464 E HA 0.147 5.085 4.350 0.980 0.000 0.190 464 E C 0.277 176.894 176.600 0.029 0.000 0.975 464 E CA 0.874 57.288 56.400 0.022 0.000 0.813 464 E CB 0.602 30.309 29.700 0.011 0.000 0.768 464 E HN 0.342 nan 8.360 nan 0.000 0.457 465 L N 1.027 122.268 121.223 0.031 0.000 2.487 465 L HA 0.107 5.035 4.340 0.980 0.000 0.261 465 L C -0.432 176.464 176.870 0.043 0.000 1.223 465 L CA -0.294 54.567 54.840 0.035 0.000 0.883 465 L CB 0.596 42.676 42.059 0.035 0.000 1.065 465 L HN -0.070 nan 8.230 nan 0.000 0.488 466 S N 0.526 116.256 115.700 0.049 0.000 2.563 466 S HA 0.139 5.197 4.470 0.980 0.000 0.269 466 S C 0.640 175.267 174.600 0.044 0.000 1.364 466 S CA 0.561 58.789 58.200 0.047 0.000 1.010 466 S CB 0.394 63.628 63.200 0.058 0.000 0.877 466 S HN 0.737 nan 8.310 nan 0.000 0.549 467 T N 2.438 117.012 114.554 0.033 0.000 2.855 467 T HA 0.262 5.200 4.350 0.980 0.000 0.314 467 T C -2.432 172.286 174.700 0.029 0.000 1.077 467 T CA -1.499 60.616 62.100 0.025 0.000 1.095 467 T CB -0.297 68.580 68.868 0.014 0.000 0.987 467 T HN 0.651 nan 8.240 nan 0.000 0.546 468 P HA 0.273 nan 4.420 nan 0.000 0.265 468 P C -0.827 176.494 177.300 0.036 0.000 1.193 468 P CA 0.284 63.395 63.100 0.018 0.000 0.765 468 P CB 0.225 31.907 31.700 -0.029 0.000 0.823 469 I N 4.532 125.150 120.570 0.080 0.000 2.569 469 I HA 0.288 5.047 4.170 0.980 0.000 0.290 469 I C -2.339 173.869 176.117 0.151 0.000 1.088 469 I CA -2.860 58.501 61.300 0.102 0.000 1.047 469 I CB 3.032 41.092 38.000 0.101 0.000 1.237 469 I HN 0.120 nan 8.210 nan 0.000 0.421 470 P HA 0.182 nan 4.420 nan 0.000 0.275 470 P C -0.575 176.754 177.300 0.048 0.000 1.227 470 P CA -0.247 62.899 63.100 0.076 0.000 0.781 470 P CB 0.907 32.602 31.700 -0.009 0.000 0.906 471 L N 4.154 125.344 121.223 -0.055 0.000 2.525 471 L HA -0.004 4.924 4.340 0.980 0.000 0.278 471 L C 1.075 177.660 176.870 -0.476 0.000 1.218 471 L CA 0.205 54.821 54.840 -0.372 0.000 0.878 471 L CB -0.962 40.921 42.059 -0.293 0.000 1.127 471 L HN 0.485 nan 8.230 nan 0.000 0.492 472 F N 1.331 120.630 119.950 -1.085 0.000 2.987 472 F HA -0.307 4.807 4.527 0.979 0.000 0.309 472 F C 1.613 177.070 175.800 -0.572 0.000 0.724 472 F CA 0.935 58.219 58.000 -1.193 0.000 1.079 472 F CB -1.995 36.166 39.000 -1.399 0.000 1.432 472 F HN 0.830 nan 8.300 nan 0.000 0.351 473 G N -1.480 107.251 108.800 -0.116 0.000 2.179 473 G HA2 -0.351 4.197 3.960 0.980 0.000 0.260 473 G HA3 -0.351 4.197 3.960 0.980 0.000 0.260 473 G C 0.156 174.987 174.900 -0.114 0.000 0.977 473 G CA -0.090 45.071 45.100 0.102 0.000 0.641 473 G HN 0.332 nan 8.290 nan 0.000 0.533 474 F N 2.370 122.065 119.950 -0.424 0.000 2.506 474 F HA 0.259 5.374 4.527 0.979 0.000 0.353 474 F C 1.702 177.096 175.800 -0.676 0.000 1.194 474 F CA -0.525 57.030 58.000 -0.742 0.000 1.048 474 F CB 0.372 39.146 39.000 -0.377 0.000 1.160 474 F HN 0.115 nan 8.300 nan 0.000 0.598 475 E N 2.633 122.381 120.200 -0.753 0.000 2.047 475 E HA -0.148 4.790 4.350 0.980 0.000 0.191 475 E C 0.651 177.084 176.600 -0.279 0.000 0.987 475 E CA 1.137 57.328 56.400 -0.350 0.000 0.799 475 E CB 0.156 29.742 29.700 -0.190 0.000 0.752 475 E HN 0.626 nan 8.360 nan 0.000 0.449 476 K N -0.539 119.663 120.400 -0.330 0.000 2.512 476 K HA 0.397 5.305 4.320 0.980 0.000 0.263 476 K C -0.594 175.713 176.600 -0.489 0.000 0.966 476 K CA -0.773 55.301 56.287 -0.355 0.000 0.851 476 K CB 1.616 33.938 32.500 -0.297 0.000 1.395 476 K HN -0.267 nan 8.250 nan 0.000 0.440 477 I N 3.190 123.515 120.570 -0.408 0.000 2.352 477 I HA 0.145 4.903 4.170 0.980 0.000 0.290 477 I C 0.043 176.011 176.117 -0.248 0.000 1.036 477 I CA -0.194 60.941 61.300 -0.276 0.000 1.336 477 I CB 0.254 38.152 38.000 -0.169 0.000 1.407 477 I HN 0.550 nan 8.210 nan 0.000 0.497 478 H N 7.301 126.438 119.070 0.111 0.000 2.473 478 H HA 0.302 5.446 4.556 0.981 0.000 0.327 478 H C -2.039 173.286 175.328 -0.006 0.000 1.105 478 H CA -1.882 54.178 56.048 0.021 0.000 1.280 478 H CB 1.196 30.940 29.762 -0.029 0.000 1.450 478 H HN 0.289 nan 8.280 nan 0.000 0.492 479 P HA -0.084 nan 4.420 nan 0.000 0.264 479 P C 0.370 177.687 177.300 0.029 0.000 1.193 479 P CA 0.235 63.377 63.100 0.070 0.000 0.763 479 P CB 0.544 32.278 31.700 0.057 0.000 0.810 480 H N 6.515 125.562 119.070 -0.037 0.000 3.064 480 H HA -0.032 5.113 4.556 0.981 0.000 0.329 480 H C -1.117 174.177 175.328 -0.057 0.000 1.020 480 H CA -0.595 55.406 56.048 -0.077 0.000 1.402 480 H CB 0.638 30.384 29.762 -0.027 0.000 1.379 480 H HN 0.314 nan 8.280 nan 0.000 0.594 481 P HA -0.108 nan 4.420 nan 0.000 0.217 481 P C 0.960 178.259 177.300 -0.002 0.000 1.151 481 P CA 1.328 64.323 63.100 -0.176 0.000 0.828 481 P CB 0.418 31.963 31.700 -0.258 0.000 0.788 482 R N -0.418 120.174 120.500 0.154 0.000 2.075 482 R HA 0.196 5.124 4.340 0.980 0.000 0.220 482 R C 0.943 177.354 176.300 0.186 0.000 1.118 482 R CA 0.462 56.679 56.100 0.196 0.000 0.986 482 R CB -0.386 30.050 30.300 0.226 0.000 0.884 482 R HN 0.086 nan 8.270 nan 0.000 0.439 483 V N 2.128 122.195 119.914 0.256 0.000 2.487 483 V HA 0.318 5.027 4.120 0.980 0.000 0.298 483 V C -1.764 174.377 176.094 0.079 0.000 1.028 483 V CA -0.578 61.761 62.300 0.065 0.000 0.860 483 V CB 1.705 33.492 31.823 -0.060 0.000 0.991 483 V HN 0.247 nan 8.190 nan 0.000 0.427 484 Q N 5.690 125.535 119.800 0.075 0.000 2.315 484 Q HA 0.409 5.337 4.340 0.980 0.000 0.273 484 Q C -1.913 174.154 176.000 0.112 0.000 1.053 484 Q CA -0.731 55.132 55.803 0.100 0.000 0.817 484 Q CB 2.809 31.595 28.738 0.080 0.000 1.326 484 Q HN 0.816 nan 8.270 nan 0.000 0.423 485 Y N 1.248 121.561 120.300 0.021 0.000 2.353 485 Y HA 0.263 5.403 4.550 0.983 0.000 0.340 485 Y C 0.266 176.179 175.900 0.020 0.000 0.972 485 Y CA 0.066 58.177 58.100 0.019 0.000 1.157 485 Y CB 1.354 39.834 38.460 0.033 0.000 1.157 485 Y HN 0.786 nan 8.280 nan 0.000 0.495 486 S N 3.410 118.894 115.700 -0.360 0.000 2.456 486 S HA 0.092 5.150 4.470 0.980 0.000 0.224 486 S C 0.382 174.817 174.600 -0.276 0.000 1.035 486 S CA -0.007 58.053 58.200 -0.233 0.000 0.940 486 S CB 0.012 63.104 63.200 -0.179 0.000 0.799 486 S HN 0.550 nan 8.310 nan 0.000 0.508 487 K N 2.590 122.646 120.400 -0.575 0.000 2.286 487 K HA 0.153 5.061 4.320 0.980 0.000 0.256 487 K C -2.554 174.051 176.600 0.009 0.000 0.999 487 K CA -1.429 54.676 56.287 -0.303 0.000 0.908 487 K CB -0.222 32.064 32.500 -0.356 0.000 0.981 487 K HN 0.112 nan 8.250 nan 0.000 0.500 488 P HA 0.015 nan 4.420 nan 0.000 0.267 488 P C -0.647 176.756 177.300 0.173 0.000 1.200 488 P CA 0.569 63.726 63.100 0.096 0.000 0.772 488 P CB 0.495 32.216 31.700 0.036 0.000 0.855 489 I N 1.029 121.668 120.570 0.116 0.000 2.689 489 I HA 0.349 5.107 4.170 0.980 0.000 0.299 489 I C -0.200 175.945 176.117 0.048 0.000 1.059 489 I CA -0.887 60.465 61.300 0.087 0.000 1.055 489 I CB 2.342 40.392 38.000 0.083 0.000 1.243 489 I HN 0.332 nan 8.210 nan 0.000 0.425 490 C N 6.249 125.570 119.300 0.035 0.000 2.340 490 C HA 0.741 5.789 4.460 0.980 0.000 0.323 490 C C -0.407 174.613 174.990 0.050 0.000 1.260 490 C CA -0.247 58.793 59.018 0.038 0.000 1.464 490 C CB 0.533 28.287 27.740 0.023 0.000 2.156 490 C HN 0.545 nan 8.230 nan 0.000 0.476 491 V N 7.845 127.802 119.914 0.071 0.000 2.417 491 V HA 0.416 5.124 4.120 0.980 0.000 0.291 491 V C -0.092 176.067 176.094 0.108 0.000 1.024 491 V CA -0.387 61.979 62.300 0.109 0.000 0.861 491 V CB 1.515 33.417 31.823 0.131 0.000 0.985 491 V HN 0.748 nan 8.190 nan 0.000 0.436 492 L N 6.843 128.139 121.223 0.122 0.000 2.265 492 L HA 0.651 5.579 4.340 0.980 0.000 0.288 492 L C -0.171 176.779 176.870 0.133 0.000 1.058 492 L CA -0.204 54.726 54.840 0.151 0.000 0.809 492 L CB 0.821 43.012 42.059 0.220 0.000 1.179 492 L HN 0.653 nan 8.230 nan 0.000 0.429 493 I N 1.374 122.007 120.570 0.106 0.000 3.002 493 I HA 0.691 5.449 4.170 0.980 0.000 0.310 493 I C -0.850 175.287 176.117 0.034 0.000 1.087 493 I CA -0.654 60.688 61.300 0.070 0.000 1.017 493 I CB 2.393 40.422 38.000 0.048 0.000 1.226 493 I HN 0.782 nan 8.210 nan 0.000 0.443 494 N N 0.827 119.530 118.700 0.004 0.000 3.020 494 N HA 0.153 5.482 4.740 0.980 0.000 0.248 494 N C -0.105 175.351 175.510 -0.090 0.000 1.480 494 N CA -0.646 52.392 53.050 -0.020 0.000 0.874 494 N CB 1.101 39.620 38.487 0.053 0.000 1.433 494 N HN 0.751 nan 8.380 nan 0.000 0.530 495 E N -0.011 120.136 120.200 -0.088 0.000 2.510 495 E HA -0.193 4.746 4.350 0.980 0.000 0.202 495 E C -0.176 176.214 176.600 -0.350 0.000 1.072 495 E CA 1.196 57.494 56.400 -0.169 0.000 0.883 495 E CB -0.275 29.385 29.700 -0.067 0.000 0.818 495 E HN 0.664 nan 8.360 nan 0.000 0.548 496 Q N 0.954 120.574 119.800 -0.300 0.000 2.263 496 Q HA 0.188 5.116 4.340 0.980 0.000 0.337 496 Q C -0.918 174.793 176.000 -0.482 0.000 0.906 496 Q CA -0.232 55.326 55.803 -0.409 0.000 1.124 496 Q CB 0.701 29.463 28.738 0.039 0.000 1.255 496 Q HN 0.103 nan 8.270 nan 0.000 0.435 497 D N 0.577 120.557 120.400 -0.699 0.000 2.425 497 D HA 0.359 5.587 4.640 0.980 0.000 0.240 497 D C -0.663 175.275 176.300 -0.605 0.000 1.080 497 D CA -0.072 53.703 54.000 -0.375 0.000 0.836 497 D CB 0.905 41.611 40.800 -0.156 0.000 1.125 497 D HN -0.007 nan 8.370 nan 0.000 0.525 498 F N 0.173 120.064 119.950 -0.098 0.000 2.639 498 F HA 0.462 5.584 4.527 0.992 0.000 0.339 498 F C 1.542 177.252 175.800 -0.150 0.000 1.071 498 F CA -0.865 57.037 58.000 -0.163 0.000 0.994 498 F CB 0.786 39.659 39.000 -0.212 0.000 1.341 498 F HN 0.243 nan 8.300 nan 0.000 0.498 499 S N -0.260 115.453 115.700 0.022 0.000 3.366 499 S HA -0.326 4.732 4.470 0.980 0.000 0.625 499 S C 1.505 175.825 174.600 -0.467 0.000 2.797 499 S CA 1.132 59.251 58.200 -0.136 0.000 3.953 499 S CB -1.393 61.876 63.200 0.114 0.000 0.301 499 S HN 0.886 nan 8.310 nan 0.000 1.237 500 C N 1.943 121.041 119.300 -0.337 0.000 2.393 500 C HA 0.009 5.057 4.460 0.980 0.000 0.292 500 C C 2.576 177.400 174.990 -0.276 0.000 1.347 500 C CA 1.132 59.903 59.018 -0.412 0.000 1.810 500 C CB -2.200 25.315 27.740 -0.376 0.000 1.899 500 C HN 0.810 nan 8.230 nan 0.000 0.532 501 A N -0.626 122.179 122.820 -0.025 0.000 2.238 501 A HA -0.028 4.880 4.320 0.980 0.000 0.208 501 A C 1.773 179.389 177.584 0.053 0.000 1.177 501 A CA 1.003 53.127 52.037 0.146 0.000 0.804 501 A CB -0.276 18.842 19.000 0.197 0.000 0.823 501 A HN 0.560 nan 8.150 nan 0.000 0.482 502 D N -0.859 119.488 120.400 -0.089 0.000 2.259 502 D HA 0.055 5.283 4.640 0.980 0.000 0.216 502 D C 1.541 177.937 176.300 0.160 0.000 0.961 502 D CA 0.747 54.724 54.000 -0.039 0.000 0.878 502 D CB -0.161 40.556 40.800 -0.139 0.000 1.009 502 D HN 0.580 nan 8.370 nan 0.000 0.490 503 F N 0.339 120.321 119.950 0.053 0.000 2.146 503 F HA -0.145 4.972 4.527 0.983 0.000 0.298 503 F C 2.332 178.167 175.800 0.057 0.000 1.096 503 F CA 0.053 58.079 58.000 0.043 0.000 1.275 503 F CB -0.265 38.774 39.000 0.065 0.000 1.008 503 F HN -0.107 nan 8.300 nan 0.000 0.480 504 F N 2.896 122.912 119.950 0.110 0.000 2.043 504 F HA -0.170 4.941 4.527 0.973 0.000 0.297 504 F C -0.454 175.381 175.800 0.059 0.000 1.121 504 F CA 1.560 59.596 58.000 0.059 0.000 1.199 504 F CB -1.913 37.128 39.000 0.069 0.000 0.968 504 F HN -0.211 nan 8.300 nan 0.000 0.478 505 P HA -0.116 nan 4.420 nan 0.000 0.219 505 P C 2.142 179.379 177.300 -0.106 0.000 1.150 505 P CA 1.387 64.437 63.100 -0.083 0.000 0.814 505 P CB -0.180 31.536 31.700 0.027 0.000 0.787 506 V N 0.218 120.114 119.914 -0.029 0.000 2.407 506 V HA -0.170 4.538 4.120 0.980 0.000 0.248 506 V C 2.630 178.660 176.094 -0.106 0.000 1.055 506 V CA 1.604 63.872 62.300 -0.054 0.000 1.049 506 V CB -0.730 31.113 31.823 0.033 0.000 0.662 506 V HN -0.085 nan 8.190 nan 0.000 0.455 507 V N -0.252 119.601 119.914 -0.102 0.000 2.379 507 V HA -0.189 4.519 4.120 0.980 0.000 0.245 507 V C 2.258 178.253 176.094 -0.165 0.000 1.044 507 V CA 1.974 64.193 62.300 -0.136 0.000 1.036 507 V CB -0.445 31.308 31.823 -0.116 0.000 0.664 507 V HN 0.462 nan 8.190 nan 0.000 0.453 508 L N -0.073 121.015 121.223 -0.226 0.000 2.093 508 L HA -0.167 4.761 4.340 0.980 0.000 0.208 508 L C 2.540 179.339 176.870 -0.118 0.000 1.085 508 L CA 1.812 56.529 54.840 -0.205 0.000 0.755 508 L CB -0.590 41.279 42.059 -0.318 0.000 0.904 508 L HN 0.302 nan 8.230 nan 0.000 0.435 509 K N 0.407 120.733 120.400 -0.123 0.000 2.062 509 K HA -0.167 4.741 4.320 0.980 0.000 0.205 509 K C 1.504 178.056 176.600 -0.080 0.000 1.051 509 K CA 1.618 57.855 56.287 -0.084 0.000 0.941 509 K CB 0.072 32.455 32.500 -0.195 0.000 0.719 509 K HN 0.139 nan 8.250 nan 0.000 0.440 510 D N 0.378 120.702 120.400 -0.127 0.000 2.219 510 D HA -0.067 5.161 4.640 0.980 0.000 0.205 510 D C 0.919 177.160 176.300 -0.098 0.000 0.970 510 D CA 0.810 54.728 54.000 -0.138 0.000 0.851 510 D CB 0.117 40.812 40.800 -0.176 0.000 0.943 510 D HN 0.213 nan 8.370 nan 0.000 0.488 511 N N 0.697 119.344 118.700 -0.088 0.000 2.230 511 N HA -0.023 5.305 4.740 0.980 0.000 0.202 511 N C -0.649 174.833 175.510 -0.047 0.000 1.119 511 N CA 0.205 53.212 53.050 -0.071 0.000 0.851 511 N CB 0.672 39.109 38.487 -0.082 0.000 0.990 511 N HN 0.096 nan 8.380 nan 0.000 0.497 512 D N 0.458 120.840 120.400 -0.030 0.000 2.708 512 D HA -0.210 5.019 4.640 0.980 0.000 0.236 512 D C 1.021 177.313 176.300 -0.014 0.000 1.146 512 D CA 0.395 54.391 54.000 -0.007 0.000 0.662 512 D CB -0.289 40.501 40.800 -0.016 0.000 1.059 512 D HN 0.312 nan 8.370 nan 0.000 0.428 513 R N -0.377 120.110 120.500 -0.021 0.000 2.189 513 R HA 0.301 5.229 4.340 0.980 0.000 0.203 513 R C 0.804 177.104 176.300 -0.000 0.000 1.012 513 R CA 1.121 57.211 56.100 -0.017 0.000 1.015 513 R CB 0.593 30.872 30.300 -0.035 0.000 0.938 513 R HN 0.309 nan 8.270 nan 0.000 0.472 514 A N 0.153 122.975 122.820 0.004 0.000 2.569 514 A HA 0.488 5.396 4.320 0.980 0.000 0.290 514 A C -1.449 176.191 177.584 0.094 0.000 1.136 514 A CA -0.638 51.415 52.037 0.026 0.000 0.710 514 A CB 1.334 20.327 19.000 -0.012 0.000 1.303 514 A HN 0.142 nan 8.150 nan 0.000 0.413 515 L N 2.063 123.340 121.223 0.090 0.000 2.264 515 L HA 0.420 5.348 4.340 0.980 0.000 0.289 515 L C -1.146 175.849 176.870 0.210 0.000 1.044 515 L CA -0.694 54.246 54.840 0.166 0.000 0.807 515 L CB 0.676 42.757 42.059 0.038 0.000 1.192 515 L HN 0.511 nan 8.230 nan 0.000 0.425 516 I N 6.338 127.110 120.570 0.338 0.000 2.312 516 I HA 0.341 5.099 4.170 0.980 0.000 0.290 516 I C 0.037 176.201 176.117 0.078 0.000 1.008 516 I CA -0.457 60.888 61.300 0.075 0.000 1.226 516 I CB 1.316 39.234 38.000 -0.136 0.000 1.371 516 I HN 0.184 nan 8.210 nan 0.000 0.468 517 V N 5.306 125.260 119.914 0.066 0.000 2.656 517 V HA 0.968 5.676 4.120 0.980 0.000 0.307 517 V C 0.507 176.645 176.094 0.073 0.000 1.051 517 V CA 0.006 62.341 62.300 0.057 0.000 0.893 517 V CB 1.497 33.337 31.823 0.029 0.000 0.999 517 V HN 1.106 nan 8.190 nan 0.000 0.426 518 G N 3.791 112.628 108.800 0.062 0.000 2.181 518 G HA2 0.244 4.792 3.960 0.980 0.000 0.098 518 G HA3 0.244 4.792 3.960 0.980 0.000 0.098 518 G C -0.242 174.648 174.900 -0.016 0.000 1.237 518 G CA 0.241 45.370 45.100 0.049 0.000 1.238 518 G HN 1.329 nan 8.290 nan 0.000 0.468 519 T N -1.829 112.700 114.554 -0.041 0.000 2.909 519 T HA 0.692 5.630 4.350 0.980 0.000 0.299 519 T C 0.012 174.689 174.700 -0.039 0.000 1.073 519 T CA 0.028 62.102 62.100 -0.044 0.000 0.999 519 T CB 2.414 71.244 68.868 -0.063 0.000 1.098 519 T HN 0.958 nan 8.240 nan 0.000 0.477 520 R N 1.895 122.376 120.500 -0.031 0.000 2.466 520 R HA 0.028 4.956 4.340 0.980 0.000 0.280 520 R C 0.590 176.855 176.300 -0.059 0.000 0.926 520 R CA 0.758 56.838 56.100 -0.033 0.000 1.127 520 R CB -0.072 30.221 30.300 -0.012 0.000 0.871 520 R HN 0.932 nan 8.270 nan 0.000 0.421 521 T N 1.480 115.990 114.554 -0.074 0.000 2.828 521 T HA 0.288 5.226 4.350 0.980 0.000 0.290 521 T C 1.532 176.134 174.700 -0.162 0.000 1.019 521 T CA -0.352 61.663 62.100 -0.141 0.000 1.031 521 T CB 1.458 70.254 68.868 -0.120 0.000 1.001 521 T HN 0.652 nan 8.240 nan 0.000 0.531 522 A N 0.882 123.497 122.820 -0.343 0.000 1.948 522 A HA 0.300 5.208 4.320 0.980 0.000 0.220 522 A C 1.975 179.579 177.584 0.032 0.000 1.177 522 A CA 1.452 53.301 52.037 -0.313 0.000 0.636 522 A CB -1.619 16.787 19.000 -0.991 0.000 0.815 522 A HN 2.441 nan 8.150 nan 0.000 0.449 523 G N -2.399 106.396 108.800 -0.009 0.000 2.325 523 G HA2 0.222 4.770 3.960 0.980 0.000 0.248 523 G HA3 0.222 4.770 3.960 0.980 0.000 0.248 523 G C 0.098 175.068 174.900 0.118 0.000 1.108 523 G CA 0.202 45.341 45.100 0.065 0.000 0.881 523 G HN 1.679 nan 8.290 nan 0.000 0.494 524 A N 0.410 123.274 122.820 0.074 0.000 2.937 524 A HA 0.766 5.674 4.320 0.980 0.000 0.338 524 A C 0.830 178.427 177.584 0.020 0.000 1.273 524 A CA 0.409 52.442 52.037 -0.007 0.000 0.937 524 A CB 0.437 19.319 19.000 -0.197 0.000 1.133 524 A HN 1.772 nan 8.150 nan 0.000 0.491 525 G N 0.821 109.681 108.800 0.100 0.000 3.428 525 G HA2 0.568 5.117 3.960 0.980 0.000 0.344 525 G HA3 0.568 5.117 3.960 0.980 0.000 0.344 525 G C 0.030 175.102 174.900 0.285 0.000 1.256 525 G CA 0.116 45.362 45.100 0.243 0.000 1.209 525 G HN 1.197 nan 8.290 nan 0.000 0.470 526 G N 1.015 110.049 108.800 0.390 0.000 2.616 526 G HA2 0.550 5.098 3.960 0.980 0.000 0.294 526 G HA3 0.550 5.098 3.960 0.980 0.000 0.294 526 G C -0.634 174.402 174.900 0.226 0.000 1.489 526 G CA -0.893 44.379 45.100 0.285 0.000 0.836 526 G HN 0.734 nan 8.290 nan 0.000 0.527 527 F N 0.839 120.886 119.950 0.162 0.000 2.406 527 F HA 0.786 5.901 4.527 0.979 0.000 0.327 527 F C 0.375 176.147 175.800 -0.048 0.000 1.153 527 F CA -1.337 56.664 58.000 0.002 0.000 1.218 527 F CB 1.171 40.149 39.000 -0.036 0.000 1.215 527 F HN 0.596 nan 8.300 nan 0.000 0.570 528 V N 2.617 122.651 119.914 0.200 0.000 2.815 528 V HA 0.847 5.555 4.120 0.980 0.000 0.314 528 V C -1.218 174.988 176.094 0.187 0.000 1.064 528 V CA -1.048 61.260 62.300 0.012 0.000 0.952 528 V CB 1.529 33.197 31.823 -0.258 0.000 1.020 528 V HN 1.051 nan 8.190 nan 0.000 0.439 529 F N 1.923 121.947 119.950 0.124 0.000 2.603 529 F HA 0.746 5.862 4.527 0.982 0.000 0.317 529 F C -0.701 175.139 175.800 0.067 0.000 1.066 529 F CA -1.113 56.949 58.000 0.104 0.000 0.941 529 F CB 1.642 40.728 39.000 0.144 0.000 1.291 529 F HN 0.482 nan 8.300 nan 0.000 0.472 530 N N 1.262 120.094 118.700 0.220 0.000 2.321 530 N HA 0.586 5.914 4.740 0.980 0.000 0.299 530 N C -1.554 174.094 175.510 0.230 0.000 1.048 530 N CA -0.503 52.620 53.050 0.121 0.000 0.836 530 N CB 2.754 41.269 38.487 0.048 0.000 1.269 530 N HN 0.489 nan 8.380 nan 0.000 0.486 531 V N 2.032 122.080 119.914 0.224 0.000 2.555 531 V HA 0.430 5.138 4.120 0.980 0.000 0.302 531 V C -0.483 175.783 176.094 0.288 0.000 1.038 531 V CA -0.655 61.824 62.300 0.299 0.000 0.887 531 V CB 1.807 33.853 31.823 0.371 0.000 0.991 531 V HN 0.569 nan 8.190 nan 0.000 0.434 532 Q N 3.874 123.860 119.800 0.309 0.000 2.397 532 Q HA 0.862 5.790 4.340 0.980 0.000 0.275 532 Q C -1.066 175.169 176.000 0.393 0.000 1.090 532 Q CA -0.437 55.515 55.803 0.249 0.000 0.809 532 Q CB 2.821 31.634 28.738 0.125 0.000 1.362 532 Q HN 0.737 nan 8.270 nan 0.000 0.431 533 F N -1.615 118.385 119.950 0.084 0.000 2.688 533 F HA 0.752 5.866 4.527 0.980 0.000 0.308 533 F C -2.893 172.920 175.800 0.021 0.000 1.117 533 F CA -2.332 55.676 58.000 0.013 0.000 0.976 533 F CB 0.820 39.754 39.000 -0.111 0.000 1.291 533 F HN 0.295 nan 8.300 nan 0.000 0.439 534 P HA 0.318 nan 4.420 nan 0.000 0.268 534 P C -1.499 175.778 177.300 -0.038 0.000 1.205 534 P CA 0.008 63.096 63.100 -0.020 0.000 0.771 534 P CB 1.263 32.972 31.700 0.016 0.000 0.858 535 N N 0.173 118.830 118.700 -0.071 0.000 3.265 535 N HA 0.209 5.537 4.740 0.980 0.000 0.235 535 N C -0.175 175.335 175.510 0.001 0.000 1.343 535 N CA -0.944 52.091 53.050 -0.025 0.000 0.904 535 N CB 0.953 39.385 38.487 -0.091 0.000 1.492 535 N HN 0.051 nan 8.380 nan 0.000 0.504 536 R N -0.265 120.253 120.500 0.031 0.000 2.466 536 R HA 0.235 5.163 4.340 0.980 0.000 0.279 536 R C -0.066 176.268 176.300 0.057 0.000 0.976 536 R CA 0.122 56.242 56.100 0.034 0.000 1.081 536 R CB 0.075 30.391 30.300 0.027 0.000 1.215 536 R HN 0.735 nan 8.270 nan 0.000 0.546 537 T N -0.745 113.856 114.554 0.078 0.000 3.060 537 T HA 0.093 5.031 4.350 0.980 0.000 0.249 537 T C 1.092 175.877 174.700 0.142 0.000 1.079 537 T CA 0.848 63.008 62.100 0.101 0.000 1.013 537 T CB 0.570 69.517 68.868 0.130 0.000 0.975 537 T HN 0.511 nan 8.240 nan 0.000 0.518 538 G N 2.058 110.955 108.800 0.162 0.000 2.149 538 G HA2 -0.221 4.328 3.960 0.980 0.000 0.235 538 G HA3 -0.221 4.328 3.960 0.980 0.000 0.235 538 G C 0.044 175.135 174.900 0.319 0.000 1.018 538 G CA -0.420 44.851 45.100 0.285 0.000 0.728 538 G HN 0.566 nan 8.290 nan 0.000 0.508 539 I N 0.321 120.973 120.570 0.137 0.000 2.452 539 I HA 0.214 4.972 4.170 0.980 0.000 0.287 539 I C 1.438 177.336 176.117 -0.367 0.000 1.079 539 I CA 0.154 61.384 61.300 -0.117 0.000 1.387 539 I CB 1.354 39.246 38.000 -0.181 0.000 1.404 539 I HN 0.240 nan 8.210 nan 0.000 0.522 540 K N 4.004 123.987 120.400 -0.695 0.000 2.056 540 K HA 0.134 5.042 4.320 0.980 0.000 0.205 540 K C 0.123 176.425 176.600 -0.497 0.000 1.035 540 K CA 0.978 56.646 56.287 -1.031 0.000 0.955 540 K CB 0.426 32.148 32.500 -1.298 0.000 0.769 540 K HN 0.647 nan 8.250 nan 0.000 0.447 541 T N -0.589 113.716 114.554 -0.415 0.000 2.900 541 T HA 0.324 5.262 4.350 0.980 0.000 0.303 541 T C -1.836 172.752 174.700 -0.187 0.000 1.142 541 T CA -0.689 61.283 62.100 -0.214 0.000 1.007 541 T CB 1.809 70.571 68.868 -0.177 0.000 1.156 541 T HN 0.294 nan 8.240 nan 0.000 0.490 542 C N 3.708 122.979 119.300 -0.048 0.000 2.346 542 C HA 0.786 5.834 4.460 0.980 0.000 0.326 542 C C 0.198 175.152 174.990 -0.060 0.000 1.224 542 C CA -0.517 58.477 59.018 -0.040 0.000 1.408 542 C CB -0.781 27.012 27.740 0.089 0.000 2.089 542 C HN 0.976 nan 8.230 nan 0.000 0.456 543 S N 6.785 122.408 115.700 -0.128 0.000 2.525 543 S HA 0.870 5.928 4.470 0.980 0.000 0.290 543 S C -0.837 173.593 174.600 -0.283 0.000 1.152 543 S CA -0.549 57.530 58.200 -0.202 0.000 1.072 543 S CB 0.921 64.030 63.200 -0.152 0.000 1.027 543 S HN 0.792 nan 8.310 nan 0.000 0.500 544 L N 1.471 122.344 121.223 -0.583 0.000 2.327 544 L HA 0.562 5.490 4.340 0.980 0.000 0.258 544 L C -0.351 176.183 176.870 -0.560 0.000 1.024 544 L CA -1.018 53.525 54.840 -0.496 0.000 0.825 544 L CB 2.456 44.240 42.059 -0.457 0.000 1.386 544 L HN 0.610 nan 8.230 nan 0.000 0.417 545 T N 0.294 114.790 114.554 -0.097 0.000 2.744 545 T HA 0.285 5.223 4.350 0.980 0.000 0.291 545 T C 0.794 175.411 174.700 -0.138 0.000 0.957 545 T CA -0.240 61.769 62.100 -0.152 0.000 1.002 545 T CB 1.384 70.186 68.868 -0.110 0.000 0.919 545 T HN 0.868 nan 8.240 nan 0.000 0.468 546 G N 1.751 110.455 108.800 -0.160 0.000 3.233 546 G HA2 0.366 4.914 3.960 0.980 0.000 0.234 546 G HA3 0.366 4.914 3.960 0.980 0.000 0.234 546 G C 0.386 174.900 174.900 -0.642 0.000 1.137 546 G CA -0.146 44.861 45.100 -0.156 0.000 0.763 546 G HN 0.796 nan 8.290 nan 0.000 0.549 547 S N -0.887 114.419 115.700 -0.657 0.000 2.570 547 S HA 0.695 5.753 4.470 0.980 0.000 0.270 547 S C -1.519 172.982 174.600 -0.164 0.000 1.149 547 S CA -0.789 57.179 58.200 -0.387 0.000 0.837 547 S CB 1.844 64.805 63.200 -0.399 0.000 1.124 547 S HN 0.007 nan 8.310 nan 0.000 0.465 548 L N 2.147 123.327 121.223 -0.072 0.000 2.345 548 L HA 0.695 5.623 4.340 0.980 0.000 0.274 548 L C 0.306 177.111 176.870 -0.109 0.000 0.999 548 L CA -0.786 54.004 54.840 -0.084 0.000 0.849 548 L CB 1.425 43.443 42.059 -0.069 0.000 1.220 548 L HN 1.032 nan 8.230 nan 0.000 0.422 549 A N 4.354 127.029 122.820 -0.242 0.000 2.450 549 A HA 0.575 5.483 4.320 0.980 0.000 0.255 549 A C -0.322 177.075 177.584 -0.311 0.000 1.096 549 A CA -0.174 51.537 52.037 -0.543 0.000 0.778 549 A CB 0.461 19.164 19.000 -0.495 0.000 1.031 549 A HN 0.423 nan 8.150 nan 0.000 0.494 550 V N 4.000 123.696 119.914 -0.364 0.000 2.540 550 V HA 0.412 5.120 4.120 0.980 0.000 0.302 550 V C 0.320 176.240 176.094 -0.290 0.000 1.035 550 V CA -0.768 61.297 62.300 -0.393 0.000 0.873 550 V CB 1.558 33.136 31.823 -0.409 0.000 0.992 550 V HN 1.017 nan 8.190 nan 0.000 0.428 551 R N 1.884 122.252 120.500 -0.220 0.000 2.560 551 R HA 0.322 5.250 4.340 0.980 0.000 0.270 551 R C 1.111 177.380 176.300 -0.052 0.000 1.074 551 R CA -0.521 55.506 56.100 -0.121 0.000 1.140 551 R CB 1.099 31.357 30.300 -0.071 0.000 1.073 551 R HN 0.757 nan 8.270 nan 0.000 0.527 552 E N 1.123 121.276 120.200 -0.078 0.000 2.136 552 E HA -0.282 4.656 4.350 0.980 0.000 0.202 552 E C 1.485 178.104 176.600 0.032 0.000 1.019 552 E CA 1.820 58.188 56.400 -0.052 0.000 0.819 552 E CB -0.179 29.475 29.700 -0.078 0.000 0.739 552 E HN 0.618 nan 8.360 nan 0.000 0.458 553 H N -0.811 118.184 119.070 -0.124 0.000 2.556 553 H HA 0.162 5.306 4.556 0.980 0.000 0.268 553 H C 1.276 176.525 175.328 -0.133 0.000 0.996 553 H CA 0.966 56.950 56.048 -0.107 0.000 1.157 553 H CB -0.020 29.692 29.762 -0.084 0.000 1.355 553 H HN 0.286 nan 8.280 nan 0.000 0.597 554 G N -0.540 108.191 108.800 -0.115 0.000 2.194 554 G HA2 -0.219 4.329 3.960 0.980 0.000 0.236 554 G HA3 -0.219 4.329 3.960 0.980 0.000 0.236 554 G C 0.530 175.100 174.900 -0.549 0.000 0.987 554 G CA 0.211 45.105 45.100 -0.342 0.000 0.635 554 G HN 0.910 nan 8.290 nan 0.000 0.520 555 A N 0.134 122.608 122.820 -0.576 0.000 2.354 555 A HA 0.744 5.652 4.320 0.980 0.000 0.269 555 A C 0.098 177.463 177.584 -0.365 0.000 1.109 555 A CA -0.266 51.541 52.037 -0.384 0.000 0.800 555 A CB 0.263 19.205 19.000 -0.097 0.000 1.045 555 A HN 0.554 nan 8.150 nan 0.000 0.489 556 F N 0.965 120.764 119.950 -0.252 0.000 2.380 556 F HA 0.323 5.437 4.527 0.978 0.000 0.325 556 F C 1.341 176.944 175.800 -0.329 0.000 1.136 556 F CA 0.106 57.851 58.000 -0.424 0.000 1.171 556 F CB 0.917 39.364 39.000 -0.921 0.000 1.230 556 F HN 0.472 nan 8.300 nan 0.000 0.554 557 I N -0.508 119.999 120.570 -0.105 0.000 3.081 557 I HA -0.004 4.754 4.170 0.980 0.000 0.274 557 I C 0.486 176.543 176.117 -0.100 0.000 1.178 557 I CA 0.164 61.432 61.300 -0.053 0.000 1.460 557 I CB -0.041 37.991 38.000 0.053 0.000 1.137 557 I HN 0.482 nan 8.210 nan 0.000 0.443 558 E N 2.277 122.342 120.200 -0.226 0.000 2.585 558 E HA -0.137 4.801 4.350 0.980 0.000 0.252 558 E C 0.533 177.036 176.600 -0.162 0.000 0.981 558 E CA 0.572 56.824 56.400 -0.247 0.000 0.943 558 E CB -0.130 29.276 29.700 -0.490 0.000 0.923 558 E HN 0.187 nan 8.360 nan 0.000 0.486 559 N N 2.686 121.402 118.700 0.028 0.000 2.885 559 N HA -0.282 5.046 4.740 0.980 0.000 0.215 559 N C 0.912 176.462 175.510 0.067 0.000 0.893 559 N CA 1.990 55.104 53.050 0.106 0.000 1.147 559 N CB -1.217 37.384 38.487 0.190 0.000 0.967 559 N HN 0.548 nan 8.380 nan 0.000 0.601 560 I N 0.702 121.268 120.570 -0.006 0.000 2.731 560 I HA 0.136 4.894 4.170 0.980 0.000 0.260 560 I C 1.695 177.829 176.117 0.028 0.000 1.138 560 I CA 0.925 62.238 61.300 0.022 0.000 1.461 560 I CB -0.221 37.783 38.000 0.007 0.000 1.128 560 I HN 0.367 nan 8.210 nan 0.000 0.438 561 G N 1.282 110.089 108.800 0.011 0.000 2.601 561 G HA2 -0.236 4.312 3.960 0.980 0.000 0.261 561 G HA3 -0.236 4.312 3.960 0.980 0.000 0.261 561 G C -0.313 174.586 174.900 -0.001 0.000 1.289 561 G CA -0.216 44.886 45.100 0.004 0.000 0.920 561 G HN 0.126 nan 8.290 nan 0.000 0.571 562 V N 1.752 121.656 119.914 -0.017 0.000 2.495 562 V HA 0.563 5.271 4.120 0.980 0.000 0.298 562 V C 0.149 176.216 176.094 -0.045 0.000 1.031 562 V CA -0.356 61.924 62.300 -0.034 0.000 0.871 562 V CB 1.698 33.495 31.823 -0.043 0.000 0.988 562 V HN 0.980 nan 8.190 nan 0.000 0.432 563 E N 6.137 126.306 120.200 -0.052 0.000 2.283 563 E HA 0.439 5.377 4.350 0.980 0.000 0.278 563 E C -2.717 173.822 176.600 -0.103 0.000 1.027 563 E CA -2.089 54.280 56.400 -0.052 0.000 0.843 563 E CB 1.397 31.081 29.700 -0.027 0.000 1.062 563 E HN 0.394 nan 8.360 nan 0.000 0.401 564 P HA 0.128 nan 4.420 nan 0.000 0.277 564 P C 0.430 177.670 177.300 -0.100 0.000 1.271 564 P CA -0.408 62.628 63.100 -0.107 0.000 0.795 564 P CB 0.948 32.629 31.700 -0.031 0.000 1.101 565 H N -0.212 118.853 119.070 -0.009 0.000 2.307 565 H HA 0.098 5.241 4.556 0.979 0.000 0.303 565 H C 0.512 175.836 175.328 -0.006 0.000 1.073 565 H CA 1.329 57.370 56.048 -0.011 0.000 1.338 565 H CB -0.123 29.630 29.762 -0.016 0.000 1.389 565 H HN 0.223 nan 8.280 nan 0.000 0.503 566 I N 1.845 122.495 120.570 0.133 0.000 2.330 566 I HA 0.034 4.792 4.170 0.980 0.000 0.289 566 I C -0.125 176.017 176.117 0.043 0.000 1.001 566 I CA -0.638 60.703 61.300 0.068 0.000 1.193 566 I CB 1.415 39.443 38.000 0.046 0.000 1.345 566 I HN -0.045 nan 8.210 nan 0.000 0.461 567 D N 7.077 127.497 120.400 0.033 0.000 2.338 567 D HA 0.213 5.441 4.640 0.980 0.000 0.255 567 D C -0.692 175.624 176.300 0.028 0.000 1.237 567 D CA 0.317 54.330 54.000 0.022 0.000 0.883 567 D CB 0.574 41.385 40.800 0.018 0.000 1.087 567 D HN 0.409 nan 8.370 nan 0.000 0.485 568 L N 6.713 127.956 121.223 0.032 0.000 2.488 568 L HA 0.356 5.284 4.340 0.980 0.000 0.250 568 L C -2.370 174.514 176.870 0.023 0.000 1.280 568 L CA -1.566 53.316 54.840 0.071 0.000 0.929 568 L CB 1.569 43.692 42.059 0.107 0.000 1.200 568 L HN 0.312 nan 8.230 nan 0.000 0.495 569 P HA 0.157 nan 4.420 nan 0.000 0.276 569 P C -0.657 176.604 177.300 -0.065 0.000 1.244 569 P CA -0.217 62.805 63.100 -0.129 0.000 0.801 569 P CB 0.744 32.420 31.700 -0.040 0.000 1.006 570 F N 0.632 120.620 119.950 0.063 0.000 2.471 570 F HA 0.112 4.647 4.527 0.013 0.000 0.365 570 F C 1.866 177.685 175.800 0.031 0.000 1.095 570 F CA -0.293 57.745 58.000 0.063 0.000 1.174 570 F CB 0.398 39.442 39.000 0.073 0.000 1.105 570 F HN 0.247 nan 8.300 nan 0.000 0.535 571 T N 0.322 115.009 114.554 0.222 0.000 2.849 571 T HA 0.412 5.350 4.350 0.980 0.000 0.284 571 T C 1.217 175.901 174.700 -0.027 0.000 1.004 571 T CA -0.405 61.742 62.100 0.079 0.000 1.021 571 T CB 1.645 70.548 68.868 0.059 0.000 1.013 571 T HN 0.648 nan 8.240 nan 0.000 0.527 572 A N 1.920 124.700 122.820 -0.067 0.000 1.892 572 A HA -0.178 4.730 4.320 0.980 0.000 0.218 572 A C 2.335 179.640 177.584 -0.465 0.000 1.188 572 A CA 1.802 53.728 52.037 -0.185 0.000 0.631 572 A CB -1.186 17.764 19.000 -0.083 0.000 0.822 572 A HN 0.877 nan 8.150 nan 0.000 0.447 573 N N 0.514 118.983 118.700 -0.384 0.000 2.149 573 N HA -0.144 5.184 4.740 0.980 0.000 0.188 573 N C 1.229 176.456 175.510 -0.472 0.000 1.019 573 N CA 1.516 54.240 53.050 -0.542 0.000 0.857 573 N CB -0.523 37.834 38.487 -0.216 0.000 0.997 573 N HN 0.482 nan 8.380 nan 0.000 0.426 574 D N 0.797 121.026 120.400 -0.285 0.000 2.104 574 D HA -0.094 5.134 4.640 0.980 0.000 0.194 574 D C 1.991 177.848 176.300 -0.738 0.000 0.994 574 D CA 0.726 54.521 54.000 -0.341 0.000 0.830 574 D CB 0.038 40.816 40.800 -0.036 0.000 0.959 574 D HN 0.176 nan 8.370 nan 0.000 0.452 575 I N 0.906 121.123 120.570 -0.589 0.000 2.206 575 I HA -0.122 4.636 4.170 0.980 0.000 0.239 575 I C 2.459 178.240 176.117 -0.560 0.000 1.078 575 I CA 0.800 61.760 61.300 -0.566 0.000 1.367 575 I CB -1.160 36.668 38.000 -0.286 0.000 1.078 575 I HN -0.033 nan 8.210 nan 0.000 0.413 576 R N 0.487 120.484 120.500 -0.838 0.000 2.119 576 R HA -0.192 4.736 4.340 0.980 0.000 0.246 576 R C 1.732 177.872 176.300 -0.267 0.000 1.146 576 R CA 1.736 57.352 56.100 -0.808 0.000 0.962 576 R CB -0.547 29.027 30.300 -1.210 0.000 0.863 576 R HN 0.474 nan 8.270 nan 0.000 0.442 577 Y N 0.381 120.488 120.300 -0.321 0.000 2.532 577 Y HA 0.198 5.340 4.550 0.988 0.000 0.283 577 Y C 0.268 176.044 175.900 -0.206 0.000 1.181 577 Y CA -0.768 57.204 58.100 -0.215 0.000 1.256 577 Y CB 0.164 38.518 38.460 -0.177 0.000 1.112 577 Y HN -0.078 nan 8.280 nan 0.000 0.521 578 K N 0.885 121.187 120.400 -0.163 0.000 3.077 578 K HA -0.258 4.650 4.320 0.980 0.000 0.254 578 K C 1.207 177.748 176.600 -0.099 0.000 0.879 578 K CA 0.482 56.658 56.287 -0.186 0.000 0.647 578 K CB -1.151 31.374 32.500 0.041 0.000 1.373 578 K HN 0.736 nan 8.250 nan 0.000 0.478 579 G N -1.278 107.415 108.800 -0.178 0.000 2.944 579 G HA2 0.016 4.564 3.960 0.980 0.000 0.223 579 G HA3 0.016 4.564 3.960 0.980 0.000 0.223 579 G C -0.023 174.960 174.900 0.139 0.000 1.071 579 G CA -0.144 44.979 45.100 0.039 0.000 0.806 579 G HN 0.431 nan 8.290 nan 0.000 0.538 580 Y N 1.116 121.462 120.300 0.078 0.000 3.305 580 Y HA -0.305 4.828 4.550 0.971 0.000 0.214 580 Y C 2.285 178.315 175.900 0.217 0.000 1.185 580 Y CA 0.555 58.739 58.100 0.141 0.000 1.326 580 Y CB -2.180 36.360 38.460 0.134 0.000 1.367 580 Y HN 0.354 nan 8.280 nan 0.000 0.588 581 S N -0.712 115.114 115.700 0.211 0.000 2.368 581 S HA -0.206 4.852 4.470 0.980 0.000 0.224 581 S C 1.721 176.437 174.600 0.193 0.000 1.029 581 S CA 1.505 59.815 58.200 0.183 0.000 0.988 581 S CB -0.037 63.237 63.200 0.124 0.000 0.838 581 S HN 0.694 nan 8.310 nan 0.000 0.462 582 E N -0.623 119.693 120.200 0.193 0.000 2.110 582 E HA -0.145 4.793 4.350 0.980 0.000 0.193 582 E C 1.832 178.588 176.600 0.260 0.000 0.988 582 E CA 1.441 57.952 56.400 0.186 0.000 0.804 582 E CB -0.284 29.514 29.700 0.162 0.000 0.745 582 E HN 0.784 nan 8.360 nan 0.000 0.458 583 Y N 1.210 121.653 120.300 0.238 0.000 2.130 583 Y HA -0.135 5.191 4.550 1.293 0.000 0.287 583 Y C 1.989 178.021 175.900 0.220 0.000 1.124 583 Y CA 1.313 59.585 58.100 0.287 0.000 1.118 583 Y CB -0.235 38.549 38.460 0.540 0.000 0.994 583 Y HN -0.084 nan 8.280 nan 0.000 0.497 584 L N 0.017 121.417 121.223 0.295 0.000 2.191 584 L HA -0.209 4.719 4.340 0.980 0.000 0.212 584 L C 1.820 178.719 176.870 0.048 0.000 1.103 584 L CA 1.261 56.176 54.840 0.126 0.000 0.769 584 L CB -0.524 41.654 42.059 0.199 0.000 0.908 584 L HN 0.273 nan 8.230 nan 0.000 0.438 585 D N -0.188 120.256 120.400 0.072 0.000 2.149 585 D HA -0.137 5.091 4.640 0.980 0.000 0.201 585 D C 2.200 178.503 176.300 0.006 0.000 0.972 585 D CA 0.806 54.832 54.000 0.043 0.000 0.835 585 D CB 0.077 40.913 40.800 0.060 0.000 0.966 585 D HN 0.035 nan 8.370 nan 0.000 0.476 586 K N 1.057 121.450 120.400 -0.012 0.000 2.103 586 K HA -0.038 4.870 4.320 0.980 0.000 0.204 586 K C 2.045 178.590 176.600 -0.092 0.000 1.052 586 K CA 0.315 56.576 56.287 -0.043 0.000 0.945 586 K CB -0.292 32.184 32.500 -0.038 0.000 0.722 586 K HN 0.025 nan 8.250 nan 0.000 0.443 587 V N 1.412 121.230 119.914 -0.159 0.000 2.307 587 V HA -0.221 4.487 4.120 0.980 0.000 0.245 587 V C 2.295 178.349 176.094 -0.067 0.000 1.045 587 V CA 1.710 63.918 62.300 -0.154 0.000 1.024 587 V CB -0.359 31.340 31.823 -0.206 0.000 0.651 587 V HN 0.299 nan 8.190 nan 0.000 0.449 588 K N 0.155 120.532 120.400 -0.039 0.000 2.063 588 K HA -0.206 4.702 4.320 0.980 0.000 0.208 588 K C 2.259 178.837 176.600 -0.037 0.000 1.048 588 K CA 1.555 57.830 56.287 -0.020 0.000 0.928 588 K CB -0.236 32.266 32.500 0.003 0.000 0.713 588 K HN 0.430 nan 8.250 nan 0.000 0.442 589 K N 0.844 121.224 120.400 -0.033 0.000 2.026 589 K HA -0.089 4.819 4.320 0.980 0.000 0.208 589 K C 2.122 178.694 176.600 -0.046 0.000 1.048 589 K CA 1.120 57.386 56.287 -0.035 0.000 0.929 589 K CB -0.144 32.344 32.500 -0.021 0.000 0.713 589 K HN 0.064 nan 8.250 nan 0.000 0.439 590 L N 0.734 121.929 121.223 -0.047 0.000 2.131 590 L HA -0.190 4.738 4.340 0.980 0.000 0.210 590 L C 2.290 179.129 176.870 -0.052 0.000 1.092 590 L CA 0.764 55.576 54.840 -0.046 0.000 0.759 590 L CB -0.443 41.590 42.059 -0.044 0.000 0.903 590 L HN 0.018 nan 8.230 nan 0.000 0.435 591 V N -0.903 118.979 119.914 -0.054 0.000 2.237 591 V HA -0.328 4.380 4.120 0.980 0.000 0.245 591 V C 2.599 178.635 176.094 -0.098 0.000 1.046 591 V CA 1.990 64.255 62.300 -0.059 0.000 1.007 591 V CB -0.682 31.111 31.823 -0.048 0.000 0.638 591 V HN 0.546 nan 8.190 nan 0.000 0.445 592 C N -0.217 119.000 119.300 -0.138 0.000 2.396 592 C HA -0.251 4.797 4.460 0.980 0.000 0.277 592 C C 2.829 177.728 174.990 -0.153 0.000 1.231 592 C CA 1.210 60.090 59.018 -0.228 0.000 1.775 592 C CB -1.390 26.218 27.740 -0.221 0.000 2.036 592 C HN 0.624 nan 8.230 nan 0.000 0.484 593 Q N -0.061 119.683 119.800 -0.093 0.000 2.226 593 Q HA -0.070 4.858 4.340 0.980 0.000 0.204 593 Q C 2.098 178.063 176.000 -0.058 0.000 0.975 593 Q CA 1.061 56.825 55.803 -0.064 0.000 0.866 593 Q CB -0.143 28.565 28.738 -0.050 0.000 0.915 593 Q HN 0.707 nan 8.270 nan 0.000 0.440 594 L N -0.254 120.932 121.223 -0.062 0.000 2.162 594 L HA -0.051 4.877 4.340 0.980 0.000 0.205 594 L C 2.114 178.961 176.870 -0.038 0.000 1.086 594 L CA 0.549 55.361 54.840 -0.046 0.000 0.778 594 L CB -0.110 41.927 42.059 -0.036 0.000 0.928 594 L HN 0.227 nan 8.230 nan 0.000 0.446 595 I N -0.025 120.509 120.570 -0.060 0.000 2.493 595 I HA -0.241 4.517 4.170 0.980 0.000 0.254 595 I C 1.487 177.605 176.117 0.003 0.000 1.160 595 I CA 1.333 62.614 61.300 -0.031 0.000 1.445 595 I CB -0.330 37.618 38.000 -0.087 0.000 1.086 595 I HN 0.361 nan 8.210 nan 0.000 0.433 596 N N 0.978 119.663 118.700 -0.026 0.000 2.461 596 N HA -0.086 5.242 4.740 0.980 0.000 0.188 596 N C 0.210 175.718 175.510 -0.003 0.000 1.134 596 N CA -0.064 52.989 53.050 0.004 0.000 0.878 596 N CB -0.004 38.477 38.487 -0.010 0.000 0.972 596 N HN 0.218 nan 8.380 nan 0.000 0.456 597 N N 1.249 119.941 118.700 -0.014 0.000 2.701 597 N HA -0.174 5.154 4.740 0.980 0.000 0.250 597 N C -1.470 174.028 175.510 -0.020 0.000 1.046 597 N CA 0.747 53.786 53.050 -0.018 0.000 0.733 597 N CB -0.690 37.790 38.487 -0.012 0.000 0.973 597 N HN 0.330 nan 8.380 nan 0.000 0.541 598 D N 0.000 120.386 120.400 -0.023 0.000 6.856 598 D HA 0.000 5.228 4.640 0.980 0.000 0.175 598 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 598 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 598 D HN 0.000 nan 8.370 nan 0.000 0.683