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 3dpn_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 XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXSLFYS PMVPHFWAEL RNHYATSGLK DATA SEQUENCE SGYNIGSTDG 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 INEQDFACAD FFPVVLKDND RALIVGTRTA GAGGFVFNVQ DATA SEQUENCE FPNRTGIKTC SLTGSLAVRE HGAFIENIGV EPHIDLPFTA NDIRYKGYSE DATA SEQUENCE YLDKVKKLVC QLINNDGTII LA 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 0.000 174.605 174.600 0.009 0.000 1.055 33 S CA 0.000 58.203 58.200 0.004 0.000 1.107 33 S CB 0.000 63.205 63.200 0.008 0.000 0.593 34 L N 4.883 126.111 121.223 0.008 0.000 2.093 34 L HA 0.165 4.506 4.340 0.001 0.000 0.208 34 L C 2.065 178.945 176.870 0.017 0.000 1.085 34 L CA 2.151 56.997 54.840 0.010 0.000 0.755 34 L CB -0.569 41.494 42.059 0.007 0.000 0.904 34 L HN 0.672 nan 8.230 nan 0.000 0.435 35 V N -1.325 118.603 119.914 0.023 0.000 2.237 35 V HA -0.358 3.763 4.120 0.001 0.000 0.245 35 V C 2.704 178.822 176.094 0.041 0.000 1.046 35 V CA 1.807 64.127 62.300 0.034 0.000 1.007 35 V CB -1.047 30.802 31.823 0.043 0.000 0.638 35 V HN 0.720 nan 8.190 nan 0.000 0.445 36 C N 0.205 119.531 119.300 0.045 0.000 2.375 36 C HA -0.304 4.157 4.460 0.001 0.000 0.274 36 C C 2.915 177.923 174.990 0.029 0.000 1.190 36 C CA 2.280 61.326 59.018 0.047 0.000 1.775 36 C CB -0.973 26.793 27.740 0.042 0.000 2.067 36 C HN 0.656 nan 8.230 nan 0.000 0.463 37 K N 0.226 120.638 120.400 0.021 0.000 1.985 37 K HA -0.157 4.164 4.320 0.001 0.000 0.210 37 K C 1.963 178.574 176.600 0.019 0.000 1.047 37 K CA 2.144 58.438 56.287 0.013 0.000 0.932 37 K CB -0.368 32.136 32.500 0.008 0.000 0.716 37 K HN 0.519 nan 8.250 nan 0.000 0.439 38 N N 0.825 119.541 118.700 0.027 0.000 2.094 38 N HA -0.210 4.531 4.740 0.001 0.000 0.191 38 N C 1.711 177.253 175.510 0.052 0.000 1.023 38 N CA 1.439 54.514 53.050 0.041 0.000 0.857 38 N CB -0.518 37.995 38.487 0.044 0.000 1.013 38 N HN 0.356 nan 8.380 nan 0.000 0.426 39 A N 1.846 124.693 122.820 0.045 0.000 1.829 39 A HA -0.124 4.196 4.320 0.001 0.000 0.216 39 A C 2.447 180.047 177.584 0.025 0.000 1.207 39 A CA 1.306 53.368 52.037 0.041 0.000 0.622 39 A CB -1.166 17.854 19.000 0.032 0.000 0.846 39 A HN 0.216 nan 8.150 nan 0.000 0.447 40 L N -0.629 120.598 121.223 0.007 0.000 2.085 40 L HA -0.367 3.974 4.340 0.001 0.000 0.218 40 L C 3.007 179.871 176.870 -0.010 0.000 1.080 40 L CA 2.079 56.910 54.840 -0.016 0.000 0.776 40 L CB -0.575 41.475 42.059 -0.014 0.000 0.891 40 L HN 0.520 nan 8.230 nan 0.000 0.437 41 Q N -0.241 119.565 119.800 0.010 0.000 1.948 41 Q HA -0.245 4.096 4.340 0.001 0.000 0.205 41 Q C 1.898 177.927 176.000 0.049 0.000 0.992 41 Q CA 2.044 57.856 55.803 0.015 0.000 0.849 41 Q CB -0.399 28.354 28.738 0.025 0.000 0.918 41 Q HN 0.546 nan 8.270 nan 0.000 0.421 42 D N 0.746 121.211 120.400 0.107 0.000 2.311 42 D HA -0.131 4.510 4.640 0.001 0.000 0.212 42 D C 1.842 178.243 176.300 0.168 0.000 0.972 42 D CA 0.371 54.492 54.000 0.203 0.000 0.887 42 D CB -0.062 40.909 40.800 0.285 0.000 0.915 42 D HN 0.222 nan 8.370 nan 0.000 0.497 43 L N 0.982 122.243 121.223 0.063 0.000 2.023 43 L HA -0.181 4.160 4.340 0.001 0.000 0.205 43 L C 2.459 179.317 176.870 -0.021 0.000 1.073 43 L CA 1.471 56.293 54.840 -0.031 0.000 0.745 43 L CB -0.391 41.582 42.059 -0.142 0.000 0.900 43 L HN 0.032 nan 8.230 nan 0.000 0.435 44 S N -0.352 115.337 115.700 -0.017 0.000 2.440 44 S HA -0.271 4.200 4.470 0.001 0.000 0.240 44 S C 1.943 176.590 174.600 0.079 0.000 1.014 44 S CA 1.258 59.457 58.200 -0.002 0.000 0.980 44 S CB -0.805 62.374 63.200 -0.035 0.000 0.775 44 S HN 0.496 nan 8.310 nan 0.000 0.499 45 F N 2.486 122.363 119.950 -0.123 0.000 2.074 45 F HA 0.186 4.714 4.527 0.001 0.000 0.293 45 F C 1.990 177.738 175.800 -0.088 0.000 1.116 45 F CA 0.608 58.469 58.000 -0.232 0.000 1.212 45 F CB -1.123 37.549 39.000 -0.546 0.000 0.998 45 F HN 0.177 nan 8.300 nan 0.000 0.471 46 L N 0.281 121.635 121.223 0.219 0.000 2.034 46 L HA -0.312 4.029 4.340 0.001 0.000 0.217 46 L C 2.521 179.599 176.870 0.348 0.000 1.077 46 L CA 2.137 57.121 54.840 0.241 0.000 0.769 46 L CB -0.997 41.255 42.059 0.322 0.000 0.890 46 L HN 0.253 nan 8.230 nan 0.000 0.435 47 E N -0.596 119.799 120.200 0.325 0.000 2.065 47 E HA -0.338 4.013 4.350 0.001 0.000 0.201 47 E C 2.266 179.036 176.600 0.284 0.000 1.016 47 E CA 1.768 58.367 56.400 0.332 0.000 0.818 47 E CB -0.188 29.615 29.700 0.172 0.000 0.749 47 E HN 0.541 nan 8.360 nan 0.000 0.453 48 H N 0.773 119.940 119.070 0.163 0.000 2.353 48 H HA -0.109 4.448 4.556 0.001 0.000 0.300 48 H C 2.244 177.660 175.328 0.146 0.000 1.090 48 H CA 1.478 57.600 56.048 0.123 0.000 1.327 48 H CB -0.275 29.526 29.762 0.064 0.000 1.383 48 H HN 0.239 nan 8.280 nan 0.000 0.508 49 L N 0.575 122.029 121.223 0.384 0.000 2.261 49 L HA -0.186 4.155 4.340 0.001 0.000 0.216 49 L C 2.749 179.671 176.870 0.087 0.000 1.114 49 L CA 0.522 55.490 54.840 0.212 0.000 0.777 49 L CB -0.242 41.891 42.059 0.124 0.000 0.910 49 L HN 0.295 nan 8.230 nan 0.000 0.440 50 L N -1.178 120.118 121.223 0.120 0.000 2.095 50 L HA -0.169 4.172 4.340 0.001 0.000 0.204 50 L C 2.564 179.517 176.870 0.139 0.000 1.080 50 L CA 1.089 56.004 54.840 0.124 0.000 0.759 50 L CB -0.440 41.723 42.059 0.173 0.000 0.914 50 L HN 0.323 nan 8.230 nan 0.000 0.439 51 Q N -0.519 119.320 119.800 0.065 0.000 2.167 51 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 51 Q C 2.214 178.174 176.000 -0.066 0.000 0.970 51 Q CA 1.203 57.012 55.803 0.010 0.000 0.855 51 Q CB 0.100 28.814 28.738 -0.041 0.000 0.911 51 Q HN 0.401 nan 8.270 nan 0.000 0.438 52 V N 0.340 120.154 119.914 -0.167 0.000 2.685 52 V HA -0.068 4.053 4.120 0.001 0.000 0.244 52 V C 0.932 176.946 176.094 -0.133 0.000 1.054 52 V CA 1.210 63.401 62.300 -0.181 0.000 1.076 52 V CB 0.062 31.714 31.823 -0.284 0.000 0.725 52 V HN 0.162 nan 8.190 nan 0.000 0.467 53 K N -0.381 119.943 120.400 -0.127 0.000 3.084 53 K HA 0.267 4.588 4.320 0.001 0.000 0.210 53 K C -0.923 175.689 176.600 0.020 0.000 1.137 53 K CA -0.237 55.904 56.287 -0.244 0.000 1.010 53 K CB 0.742 32.856 32.500 -0.644 0.000 0.806 53 K HN 0.355 nan 8.250 nan 0.000 0.460 54 Y N 0.667 120.954 120.300 -0.021 0.000 2.511 54 Y HA 0.317 4.868 4.550 0.001 0.000 0.356 54 Y C 1.027 176.961 175.900 0.057 0.000 1.002 54 Y CA -0.992 57.128 58.100 0.033 0.000 1.127 54 Y CB -0.224 38.230 38.460 -0.010 0.000 1.137 54 Y HN 0.260 nan 8.280 nan 0.000 0.652 55 A N 3.573 126.296 122.820 -0.162 0.000 1.886 55 A HA -0.276 4.045 4.320 0.001 0.000 0.240 55 A C -0.571 176.812 177.584 -0.335 0.000 1.875 55 A CA 2.418 54.340 52.037 -0.190 0.000 0.760 55 A CB -2.045 16.884 19.000 -0.118 0.000 0.849 55 A HN 0.614 nan 8.150 nan 0.000 0.505 56 P HA -0.045 nan 4.420 nan 0.000 0.274 56 P C 0.788 177.932 177.300 -0.259 0.000 1.370 56 P CA 1.035 63.885 63.100 -0.418 0.000 0.760 56 P CB -0.175 31.270 31.700 -0.424 0.000 1.308 57 K N 0.993 121.274 120.400 -0.199 0.000 1.963 57 K HA -0.123 4.198 4.320 0.001 0.000 0.216 57 K C 1.648 178.352 176.600 0.174 0.000 1.045 57 K CA 2.319 58.707 56.287 0.168 0.000 0.954 57 K CB -0.981 31.664 32.500 0.240 0.000 0.732 57 K HN -0.034 nan 8.250 nan 0.000 0.442 58 T N 1.389 116.028 114.554 0.143 0.000 2.624 58 T HA -0.281 4.070 4.350 0.001 0.000 0.266 58 T C 1.343 176.132 174.700 0.148 0.000 1.050 58 T CA 1.873 64.057 62.100 0.140 0.000 1.163 58 T CB -0.884 68.063 68.868 0.132 0.000 0.861 58 T HN 0.541 nan 8.240 nan 0.000 0.443 59 W N 2.476 123.803 121.300 0.045 0.000 2.207 59 W HA -0.245 4.415 4.660 0.002 0.000 0.321 59 W C 2.013 178.596 176.519 0.106 0.000 1.202 59 W CA 1.381 58.758 57.345 0.052 0.000 1.151 59 W CB -0.415 29.042 29.460 -0.005 0.000 1.175 59 W HN 0.035 nan 8.180 nan 0.000 0.461 60 K N 0.716 120.942 120.400 -0.291 0.000 2.248 60 K HA -0.284 4.037 4.320 0.001 0.000 0.208 60 K C 1.518 178.051 176.600 -0.112 0.000 1.044 60 K CA 2.435 58.578 56.287 -0.240 0.000 0.933 60 K CB -1.065 31.406 32.500 -0.049 0.000 0.723 60 K HN 0.548 nan 8.250 nan 0.000 0.475 61 E N 0.158 120.366 120.200 0.012 0.000 2.331 61 E HA -0.213 4.138 4.350 0.001 0.000 0.199 61 E C 2.065 178.622 176.600 -0.071 0.000 1.008 61 E CA 0.869 57.313 56.400 0.073 0.000 0.843 61 E CB 0.076 29.830 29.700 0.090 0.000 0.761 61 E HN 0.459 nan 8.360 nan 0.000 0.507 62 Q N -0.475 119.167 119.800 -0.263 0.000 2.339 62 Q HA -0.107 4.234 4.340 0.001 0.000 0.193 62 Q C 1.953 177.792 176.000 -0.269 0.000 0.998 62 Q CA -0.015 55.624 55.803 -0.273 0.000 0.847 62 Q CB -0.342 28.190 28.738 -0.344 0.000 0.988 62 Q HN 0.150 nan 8.270 nan 0.000 0.558 63 Y N 1.537 121.462 120.300 -0.625 0.000 2.038 63 Y HA -0.364 4.187 4.550 0.002 0.000 0.266 63 Y C 1.798 177.612 175.900 -0.142 0.000 1.220 63 Y CA 2.534 60.435 58.100 -0.331 0.000 1.107 63 Y CB -0.595 37.693 38.460 -0.288 0.000 0.932 63 Y HN 0.260 nan 8.280 nan 0.000 0.500 64 L N -1.949 119.111 121.223 -0.272 0.000 2.162 64 L HA 0.126 4.467 4.340 0.001 0.000 0.205 64 L C 2.370 179.175 176.870 -0.108 0.000 1.086 64 L CA 0.939 55.628 54.840 -0.252 0.000 0.778 64 L CB -0.626 41.392 42.059 -0.069 0.000 0.928 64 L HN 0.584 nan 8.230 nan 0.000 0.446 65 G N -1.597 107.180 108.800 -0.039 0.000 2.493 65 G HA2 -0.327 3.634 3.960 0.001 0.000 0.206 65 G HA3 -0.327 3.634 3.960 0.001 0.000 0.206 65 G C 0.029 174.973 174.900 0.072 0.000 1.109 65 G CA -0.148 44.947 45.100 -0.008 0.000 0.689 65 G HN 0.241 nan 8.290 nan 0.000 0.516 66 W N 3.330 124.577 121.300 -0.089 0.000 2.394 66 W HA 0.138 4.799 4.660 0.001 0.000 0.349 66 W C -0.164 176.323 176.519 -0.052 0.000 0.751 66 W CA 1.076 58.380 57.345 -0.069 0.000 0.737 66 W CB 0.012 29.427 29.460 -0.076 0.000 0.953 66 W HN 0.416 nan 8.180 nan 0.000 0.555 67 D N 6.449 126.515 120.400 -0.557 0.000 2.472 67 D HA 0.062 4.703 4.640 0.001 0.000 0.234 67 D C 0.989 176.729 176.300 -0.935 0.000 1.088 67 D CA -0.204 53.443 54.000 -0.588 0.000 0.882 67 D CB 0.622 41.253 40.800 -0.281 0.000 1.037 67 D HN 0.445 nan 8.370 nan 0.000 0.520 68 L N 4.026 124.332 121.223 -1.529 0.000 2.064 68 L HA -0.353 3.988 4.340 0.001 0.000 0.234 68 L C 1.503 178.139 176.870 -0.390 0.000 1.103 68 L CA 2.211 56.371 54.840 -1.133 0.000 0.824 68 L CB -0.724 40.996 42.059 -0.565 0.000 0.919 68 L HN 0.368 nan 8.230 nan 0.000 0.447 69 V N -0.593 119.170 119.914 -0.252 0.000 2.215 69 V HA -0.407 3.714 4.120 0.001 0.000 0.249 69 V C 2.551 178.580 176.094 -0.108 0.000 1.054 69 V CA 2.479 64.707 62.300 -0.119 0.000 1.012 69 V CB -0.856 30.909 31.823 -0.097 0.000 0.639 69 V HN 0.679 nan 8.190 nan 0.000 0.448 70 Q N -0.681 119.032 119.800 -0.145 0.000 2.508 70 Q HA -0.134 4.206 4.340 0.001 0.000 0.214 70 Q C 2.217 178.163 176.000 -0.090 0.000 0.979 70 Q CA 1.343 57.083 55.803 -0.106 0.000 0.911 70 Q CB 0.038 28.713 28.738 -0.106 0.000 0.969 70 Q HN 0.722 nan 8.270 nan 0.000 0.504 71 S N -0.819 114.809 115.700 -0.120 0.000 2.441 71 S HA -0.050 4.420 4.470 0.001 0.000 0.224 71 S C 1.747 176.449 174.600 0.170 0.000 1.043 71 S CA 0.637 58.833 58.200 -0.007 0.000 0.948 71 S CB 0.097 63.214 63.200 -0.139 0.000 0.810 71 S HN 0.321 nan 8.310 nan 0.000 0.504 72 S N 1.368 117.165 115.700 0.163 0.000 2.419 72 S HA -0.058 4.413 4.470 0.001 0.000 0.233 72 S C 1.807 176.357 174.600 -0.084 0.000 1.016 72 S CA 0.946 59.145 58.200 -0.003 0.000 0.974 72 S CB -0.290 62.907 63.200 -0.006 0.000 0.786 72 S HN 0.281 nan 8.310 nan 0.000 0.492 73 V N 0.874 120.766 119.914 -0.037 0.000 2.323 73 V HA -0.059 4.062 4.120 0.001 0.000 0.244 73 V C 2.675 178.753 176.094 -0.026 0.000 1.041 73 V CA 1.881 64.157 62.300 -0.040 0.000 1.025 73 V CB -1.044 30.760 31.823 -0.032 0.000 0.656 73 V HN 0.578 nan 8.190 nan 0.000 0.451 74 S N -0.386 115.313 115.700 -0.002 0.000 2.402 74 S HA -0.243 4.228 4.470 0.001 0.000 0.233 74 S C 2.091 176.697 174.600 0.010 0.000 1.030 74 S CA 1.607 59.817 58.200 0.017 0.000 1.003 74 S CB -0.324 62.902 63.200 0.042 0.000 0.813 74 S HN 0.628 nan 8.310 nan 0.000 0.477 75 A N 0.877 123.683 122.820 -0.023 0.000 1.835 75 A HA -0.177 4.144 4.320 0.001 0.000 0.215 75 A C 2.112 179.660 177.584 -0.060 0.000 1.199 75 A CA 1.724 53.714 52.037 -0.079 0.000 0.615 75 A CB -0.991 17.855 19.000 -0.256 0.000 0.838 75 A HN 0.644 nan 8.150 nan 0.000 0.444 76 Q N -0.966 118.793 119.800 -0.068 0.000 2.045 76 Q HA -0.267 4.074 4.340 0.001 0.000 0.206 76 Q C 2.424 178.421 176.000 -0.004 0.000 0.991 76 Q CA 1.783 57.563 55.803 -0.038 0.000 0.851 76 Q CB -0.310 28.403 28.738 -0.041 0.000 0.911 76 Q HN 0.647 nan 8.270 nan 0.000 0.418 77 Q N 0.906 120.706 119.800 0.000 0.000 1.954 77 Q HA -0.246 4.095 4.340 0.001 0.000 0.215 77 Q C 1.971 177.998 176.000 0.045 0.000 1.026 77 Q CA 1.706 57.520 55.803 0.018 0.000 0.881 77 Q CB -0.601 28.148 28.738 0.019 0.000 0.977 77 Q HN 0.354 nan 8.270 nan 0.000 0.416 78 K N 0.215 120.651 120.400 0.060 0.000 2.144 78 K HA -0.162 4.159 4.320 0.001 0.000 0.209 78 K C 2.284 178.994 176.600 0.183 0.000 1.047 78 K CA 1.147 57.508 56.287 0.123 0.000 0.927 78 K CB -0.232 32.329 32.500 0.102 0.000 0.716 78 K HN 0.184 nan 8.250 nan 0.000 0.454 79 L N 0.222 121.512 121.223 0.111 0.000 1.993 79 L HA -0.159 4.182 4.340 0.001 0.000 0.206 79 L C 2.528 179.461 176.870 0.105 0.000 1.074 79 L CA 1.300 56.222 54.840 0.137 0.000 0.746 79 L CB -0.598 41.494 42.059 0.056 0.000 0.896 79 L HN 0.203 nan 8.230 nan 0.000 0.435 80 R N -0.364 120.168 120.500 0.053 0.000 2.096 80 R HA -0.160 4.181 4.340 0.001 0.000 0.240 80 R C 2.195 178.511 176.300 0.027 0.000 1.139 80 R CA 1.982 58.101 56.100 0.031 0.000 0.952 80 R CB -0.972 29.337 30.300 0.014 0.000 0.854 80 R HN 0.401 nan 8.270 nan 0.000 0.436 81 T N 1.160 115.734 114.554 0.034 0.000 2.624 81 T HA -0.224 4.127 4.350 0.001 0.000 0.268 81 T C 0.962 175.661 174.700 -0.003 0.000 1.041 81 T CA 1.169 63.281 62.100 0.020 0.000 1.159 81 T CB -0.261 68.627 68.868 0.034 0.000 0.863 81 T HN 0.208 nan 8.240 nan 0.000 0.434 82 Q N 1.864 121.664 119.800 -0.000 0.000 2.369 82 Q HA -0.005 4.336 4.340 0.001 0.000 0.295 82 Q C 0.573 176.505 176.000 -0.113 0.000 1.075 82 Q CA 0.369 56.107 55.803 -0.109 0.000 0.941 82 Q CB 0.404 28.983 28.738 -0.265 0.000 1.260 82 Q HN 0.278 nan 8.270 nan 0.000 0.417 83 E N 2.024 122.137 120.200 -0.145 0.000 3.368 83 E HA -0.086 4.265 4.350 0.001 0.000 0.320 83 E C -0.325 176.206 176.600 -0.115 0.000 1.507 83 E CA 0.004 56.338 56.400 -0.110 0.000 1.600 83 E CB 0.037 29.669 29.700 -0.112 0.000 1.117 83 E HN 0.724 nan 8.360 nan 0.000 0.726 84 N N 2.270 120.916 118.700 -0.089 0.000 2.347 84 N HA -0.033 4.708 4.740 0.001 0.000 0.278 84 N C -2.310 173.136 175.510 -0.106 0.000 1.367 84 N CA -0.758 52.248 53.050 -0.072 0.000 0.898 84 N CB 0.091 38.546 38.487 -0.054 0.000 1.203 84 N HN 0.044 nan 8.380 nan 0.000 0.491 85 P HA 0.031 nan 4.420 nan 0.000 0.269 85 P C -0.773 176.527 177.300 -0.001 0.000 1.209 85 P CA 0.025 63.086 63.100 -0.064 0.000 0.776 85 P CB 0.779 32.536 31.700 0.095 0.000 0.876 86 S N 0.820 116.546 115.700 0.042 0.000 2.617 86 S HA 0.241 4.712 4.470 0.001 0.000 0.283 86 S C 1.267 175.946 174.600 0.132 0.000 1.189 86 S CA -0.565 57.677 58.200 0.071 0.000 1.036 86 S CB 0.897 64.139 63.200 0.070 0.000 1.014 86 S HN 0.407 nan 8.310 nan 0.000 0.522 87 T N 2.440 117.030 114.554 0.061 0.000 2.614 87 T HA -0.118 4.233 4.350 0.001 0.000 0.263 87 T C 2.096 176.789 174.700 -0.013 0.000 1.055 87 T CA 1.797 63.914 62.100 0.028 0.000 1.162 87 T CB -0.594 68.275 68.868 0.001 0.000 0.863 87 T HN 0.567 nan 8.240 nan 0.000 0.414 88 S N 1.553 117.236 115.700 -0.028 0.000 2.390 88 S HA -0.228 4.243 4.470 0.001 0.000 0.234 88 S C 1.625 176.173 174.600 -0.086 0.000 1.063 88 S CA 1.898 60.043 58.200 -0.091 0.000 1.108 88 S CB -0.864 62.321 63.200 -0.024 0.000 0.975 88 S HN 0.505 nan 8.310 nan 0.000 0.442 89 F N 2.002 121.892 119.950 -0.099 0.000 2.043 89 F HA -0.295 4.233 4.527 0.002 0.000 0.297 89 F C 2.493 178.246 175.800 -0.078 0.000 1.118 89 F CA 1.512 59.468 58.000 -0.073 0.000 1.202 89 F CB -1.049 37.923 39.000 -0.046 0.000 0.965 89 F HN 0.257 nan 8.300 nan 0.000 0.482 90 C N 0.969 120.123 119.300 -0.243 0.000 2.413 90 C HA -0.219 4.242 4.460 0.001 0.000 0.277 90 C C 2.707 177.500 174.990 -0.328 0.000 1.265 90 C CA 1.302 60.112 59.018 -0.345 0.000 1.752 90 C CB -1.477 26.231 27.740 -0.053 0.000 1.998 90 C HN 0.610 nan 8.230 nan 0.000 0.489 91 Q N 0.512 120.094 119.800 -0.363 0.000 2.030 91 Q HA -0.266 4.075 4.340 0.001 0.000 0.204 91 Q C 2.267 178.043 176.000 -0.374 0.000 0.986 91 Q CA 1.694 57.126 55.803 -0.618 0.000 0.843 91 Q CB -0.348 27.620 28.738 -1.283 0.000 0.904 91 Q HN 0.741 nan 8.270 nan 0.000 0.420 92 Q N 0.274 119.867 119.800 -0.346 0.000 1.985 92 Q HA -0.190 4.151 4.340 0.001 0.000 0.207 92 Q C 2.331 178.232 176.000 -0.166 0.000 0.996 92 Q CA 2.064 57.752 55.803 -0.193 0.000 0.851 92 Q CB -0.509 28.120 28.738 -0.183 0.000 0.921 92 Q HN 0.197 nan 8.270 nan 0.000 0.418 93 V N 1.340 121.033 119.914 -0.369 0.000 2.252 93 V HA -0.344 3.777 4.120 0.001 0.000 0.255 93 V C 2.258 178.314 176.094 -0.064 0.000 1.071 93 V CA 2.069 64.195 62.300 -0.290 0.000 1.050 93 V CB -0.847 30.702 31.823 -0.457 0.000 0.654 93 V HN 0.343 nan 8.190 nan 0.000 0.448 94 L N -0.387 120.827 121.223 -0.014 0.000 1.988 94 L HA -0.149 4.192 4.340 0.001 0.000 0.207 94 L C 2.849 179.856 176.870 0.229 0.000 1.071 94 L CA 1.640 56.562 54.840 0.138 0.000 0.744 94 L CB -1.066 41.120 42.059 0.211 0.000 0.893 94 L HN 0.379 nan 8.230 nan 0.000 0.433 95 A N 0.357 123.333 122.820 0.260 0.000 1.894 95 A HA -0.352 3.969 4.320 0.001 0.000 0.220 95 A C 1.940 179.599 177.584 0.126 0.000 1.237 95 A CA 2.505 54.666 52.037 0.207 0.000 0.660 95 A CB -0.992 18.150 19.000 0.238 0.000 0.835 95 A HN 0.473 nan 8.150 nan 0.000 0.461 96 D N -1.224 119.242 120.400 0.110 0.000 2.177 96 D HA -0.221 4.419 4.640 0.001 0.000 0.189 96 D C 1.591 177.978 176.300 0.144 0.000 1.002 96 D CA 1.787 55.849 54.000 0.103 0.000 0.845 96 D CB -0.709 40.144 40.800 0.089 0.000 0.960 96 D HN 0.434 nan 8.370 nan 0.000 0.447 97 F N 1.834 121.803 119.950 0.033 0.000 2.041 97 F HA -0.313 4.215 4.527 0.001 0.000 0.296 97 F C 2.317 178.156 175.800 0.066 0.000 1.147 97 F CA 1.615 59.653 58.000 0.063 0.000 1.214 97 F CB -0.626 38.407 39.000 0.054 0.000 0.947 97 F HN -0.090 nan 8.300 nan 0.000 0.511 98 I N 0.941 121.457 120.570 -0.090 0.000 2.163 98 I HA -0.224 3.946 4.170 0.001 0.000 0.243 98 I C 2.692 178.632 176.117 -0.295 0.000 1.085 98 I CA 1.721 62.831 61.300 -0.317 0.000 1.347 98 I CB -2.372 35.517 38.000 -0.185 0.000 1.044 98 I HN 0.403 nan 8.210 nan 0.000 0.408 99 G N 0.041 108.742 108.800 -0.165 0.000 2.687 99 G HA2 -0.072 3.889 3.960 0.001 0.000 0.209 99 G HA3 -0.072 3.889 3.960 0.001 0.000 0.209 99 G C 1.449 176.253 174.900 -0.160 0.000 1.146 99 G CA 0.758 45.759 45.100 -0.165 0.000 0.787 99 G HN 0.540 nan 8.290 nan 0.000 0.532 100 G N -0.057 108.645 108.800 -0.164 0.000 2.796 100 G HA2 0.078 4.039 3.960 0.001 0.000 0.210 100 G HA3 0.078 4.039 3.960 0.001 0.000 0.210 100 G C 1.503 176.247 174.900 -0.261 0.000 1.146 100 G CA -0.232 44.809 45.100 -0.098 0.000 0.779 100 G HN 0.403 nan 8.290 nan 0.000 0.535 101 L N -0.002 120.900 121.223 -0.535 0.000 2.349 101 L HA -0.030 4.311 4.340 0.001 0.000 0.220 101 L C 1.462 178.083 176.870 -0.414 0.000 1.130 101 L CA 0.781 55.118 54.840 -0.838 0.000 0.791 101 L CB -0.316 41.198 42.059 -0.909 0.000 0.918 101 L HN 0.437 nan 8.230 nan 0.000 0.444 102 N N -0.254 118.263 118.700 -0.304 0.000 2.776 102 N HA -0.202 4.539 4.740 0.001 0.000 0.250 102 N C -0.285 175.107 175.510 -0.196 0.000 1.112 102 N CA 0.314 53.224 53.050 -0.232 0.000 0.733 102 N CB -0.541 37.886 38.487 -0.101 0.000 1.097 102 N HN 0.288 nan 8.380 nan 0.000 0.558 103 D N -0.352 119.927 120.400 -0.202 0.000 2.344 103 D HA 0.162 4.803 4.640 0.001 0.000 0.239 103 D C 0.678 176.948 176.300 -0.049 0.000 1.064 103 D CA -0.465 53.531 54.000 -0.007 0.000 0.829 103 D CB 0.479 41.332 40.800 0.088 0.000 1.129 103 D HN 0.035 nan 8.370 nan 0.000 0.506 104 F N 1.780 121.798 119.950 0.114 0.000 2.502 104 F HA -0.041 4.487 4.527 0.001 0.000 0.298 104 F C 1.933 177.808 175.800 0.126 0.000 1.111 104 F CA 0.587 58.637 58.000 0.083 0.000 1.445 104 F CB -0.125 38.946 39.000 0.119 0.000 1.081 104 F HN 0.530 nan 8.300 nan 0.000 0.558 105 H N -0.490 118.684 119.070 0.174 0.000 2.462 105 H HA 0.275 4.832 4.556 0.001 0.000 0.292 105 H C 0.974 176.292 175.328 -0.016 0.000 1.049 105 H CA 0.485 56.600 56.048 0.111 0.000 1.334 105 H CB -0.172 29.654 29.762 0.107 0.000 1.404 105 H HN 0.085 nan 8.280 nan 0.000 0.544 106 A N 0.067 122.876 122.820 -0.020 0.000 2.317 106 A HA 0.695 5.015 4.320 0.001 0.000 0.327 106 A C 0.447 177.672 177.584 -0.598 0.000 1.178 106 A CA 0.179 52.059 52.037 -0.263 0.000 0.817 106 A CB 0.959 19.814 19.000 -0.241 0.000 1.189 106 A HN 0.445 nan 8.150 nan 0.000 0.489 107 G N -0.494 107.879 108.800 -0.712 0.000 2.349 107 G HA2 0.545 4.506 3.960 0.001 0.000 0.294 107 G HA3 0.545 4.506 3.960 0.001 0.000 0.294 107 G C -1.676 172.948 174.900 -0.460 0.000 1.380 107 G CA -0.141 44.528 45.100 -0.718 0.000 0.811 107 G HN 1.164 nan 8.290 nan 0.000 0.519 108 V N 0.055 119.782 119.914 -0.311 0.000 2.960 108 V HA 0.885 5.006 4.120 0.001 0.000 0.315 108 V C 0.319 176.095 176.094 -0.530 0.000 1.087 108 V CA -0.194 61.854 62.300 -0.420 0.000 0.982 108 V CB 1.971 33.498 31.823 -0.493 0.000 1.039 108 V HN 1.339 nan 8.190 nan 0.000 0.437 109 T N -0.317 113.820 114.554 -0.695 0.000 2.893 109 T HA 0.839 5.190 4.350 0.001 0.000 0.291 109 T C -1.133 173.049 174.700 -0.863 0.000 1.028 109 T CA -0.493 61.245 62.100 -0.602 0.000 0.995 109 T CB 1.597 70.266 68.868 -0.332 0.000 1.051 109 T HN 0.240 nan 8.240 nan 0.000 0.470 110 F N 0.284 120.157 119.950 -0.130 0.000 2.563 110 F HA 0.580 5.108 4.527 0.002 0.000 0.316 110 F C -0.426 175.342 175.800 -0.053 0.000 1.076 110 F CA -1.788 56.173 58.000 -0.065 0.000 0.921 110 F CB 1.358 40.363 39.000 0.008 0.000 1.209 110 F HN 0.492 nan 8.300 nan 0.000 0.462 111 F N 2.474 122.496 119.950 0.120 0.000 2.516 111 F HA 0.435 4.962 4.527 0.001 0.000 0.351 111 F C 0.576 176.414 175.800 0.062 0.000 1.208 111 F CA -0.129 57.901 58.000 0.051 0.000 1.073 111 F CB -0.766 38.248 39.000 0.024 0.000 1.203 111 F HN 0.490 nan 8.300 nan 0.000 0.602 112 A N 3.285 126.216 122.820 0.184 0.000 2.556 112 A HA 0.825 5.146 4.320 0.001 0.000 0.294 112 A C 0.081 177.702 177.584 0.062 0.000 1.091 112 A CA -0.649 51.460 52.037 0.119 0.000 0.704 112 A CB 1.438 20.506 19.000 0.113 0.000 1.300 112 A HN 0.359 nan 8.150 nan 0.000 0.406 113 I N -0.629 119.959 120.570 0.030 0.000 4.228 113 I HA 0.154 4.325 4.170 0.001 0.000 0.298 113 I C 0.980 177.068 176.117 -0.048 0.000 1.206 113 I CA 0.377 61.671 61.300 -0.011 0.000 1.322 113 I CB -1.368 36.618 38.000 -0.023 0.000 1.411 113 I HN 0.925 nan 8.210 nan 0.000 0.454 114 E N 4.014 124.183 120.200 -0.052 0.000 2.829 114 E HA -0.005 4.346 4.350 0.001 0.000 0.264 114 E C -0.465 176.085 176.600 -0.083 0.000 0.922 114 E CA 0.593 56.926 56.400 -0.111 0.000 0.960 114 E CB 0.436 30.144 29.700 0.013 0.000 0.918 114 E HN 0.461 nan 8.360 nan 0.000 0.497 115 S N 1.826 117.414 115.700 -0.188 0.000 2.580 115 S HA 0.629 5.100 4.470 0.001 0.000 0.281 115 S C -1.042 173.570 174.600 0.020 0.000 1.129 115 S CA -0.621 57.569 58.200 -0.016 0.000 0.862 115 S CB 1.140 64.375 63.200 0.059 0.000 1.090 115 S HN 0.756 nan 8.310 nan 0.000 0.451 116 A N 1.428 124.335 122.820 0.145 0.000 2.322 116 A HA 1.009 5.330 4.320 0.001 0.000 0.327 116 A C -1.016 176.897 177.584 0.549 0.000 1.134 116 A CA -0.870 51.304 52.037 0.228 0.000 0.831 116 A CB 1.184 20.011 19.000 -0.289 0.000 1.288 116 A HN 2.169 nan 8.150 nan 0.000 0.472 117 Y N -0.380 120.360 120.300 0.733 0.000 2.457 117 Y HA 0.529 5.080 4.550 0.002 0.000 0.322 117 Y C -2.533 173.710 175.900 0.572 0.000 1.218 117 Y CA -1.106 57.417 58.100 0.704 0.000 1.116 117 Y CB 0.367 39.099 38.460 0.454 0.000 1.335 117 Y HN 0.606 nan 8.280 nan 0.000 0.452 118 L N 7.460 128.911 121.223 0.379 0.000 2.356 118 L HA 0.518 4.859 4.340 0.001 0.000 0.277 118 L C -2.090 174.849 176.870 0.115 0.000 0.996 118 L CA -2.088 52.721 54.840 -0.051 0.000 0.822 118 L CB 2.710 44.606 42.059 -0.271 0.000 1.256 118 L HN 0.526 nan 8.230 nan 0.000 0.413 119 P HA -0.006 nan 4.420 nan 0.000 0.271 119 P C -1.201 175.752 177.300 -0.578 0.000 1.601 119 P CA 0.610 63.614 63.100 -0.160 0.000 0.856 119 P CB -0.463 31.081 31.700 -0.260 0.000 1.820 120 Y N -1.218 118.963 120.300 -0.199 0.000 2.665 120 Y HA 0.671 5.222 4.550 0.001 0.000 0.336 120 Y C 0.619 176.383 175.900 -0.226 0.000 1.085 120 Y CA -0.760 57.153 58.100 -0.313 0.000 1.096 120 Y CB 1.523 39.549 38.460 -0.723 0.000 1.301 120 Y HN -0.262 nan 8.280 nan 0.000 0.493 121 T N 1.007 115.517 114.554 -0.073 0.000 3.097 121 T HA 0.625 4.975 4.350 0.001 0.000 0.332 121 T C -1.497 173.106 174.700 -0.162 0.000 1.269 121 T CA -0.658 61.420 62.100 -0.037 0.000 1.076 121 T CB 1.557 70.416 68.868 -0.015 0.000 1.209 121 T HN 0.407 nan 8.240 nan 0.000 0.474 122 V N 1.950 121.798 119.914 -0.111 0.000 3.141 122 V HA 0.744 4.865 4.120 0.001 0.000 0.312 122 V C -0.784 175.230 176.094 -0.133 0.000 1.157 122 V CA -0.936 61.292 62.300 -0.120 0.000 1.041 122 V CB 2.337 34.153 31.823 -0.012 0.000 1.071 122 V HN 0.863 nan 8.190 nan 0.000 0.441 123 Q N 1.172 120.907 119.800 -0.108 0.000 2.315 123 Q HA 0.438 4.779 4.340 0.001 0.000 0.273 123 Q C -1.267 174.634 176.000 -0.166 0.000 1.053 123 Q CA -0.710 55.000 55.803 -0.155 0.000 0.817 123 Q CB 2.420 31.026 28.738 -0.219 0.000 1.326 123 Q HN 0.722 nan 8.270 nan 0.000 0.423 124 K N 1.829 122.062 120.400 -0.279 0.000 2.234 124 K HA 0.323 4.644 4.320 0.001 0.000 0.282 124 K C -0.496 175.966 176.600 -0.229 0.000 1.039 124 K CA -0.191 55.763 56.287 -0.555 0.000 0.928 124 K CB 0.902 33.023 32.500 -0.632 0.000 1.039 124 K HN 0.735 nan 8.250 nan 0.000 0.470 125 S N 1.982 117.582 115.700 -0.167 0.000 2.617 125 S HA 0.037 4.508 4.470 0.001 0.000 0.269 125 S C 1.384 175.999 174.600 0.025 0.000 1.292 125 S CA -0.137 58.074 58.200 0.019 0.000 1.010 125 S CB 1.525 64.802 63.200 0.128 0.000 0.944 125 S HN 0.768 nan 8.310 nan 0.000 0.536 126 S N 1.422 117.172 115.700 0.084 0.000 2.377 126 S HA -0.325 4.146 4.470 0.001 0.000 0.224 126 S C 1.606 176.244 174.600 0.064 0.000 1.042 126 S CA 1.745 59.995 58.200 0.084 0.000 1.086 126 S CB -1.425 61.830 63.200 0.092 0.000 0.995 126 S HN 0.936 nan 8.310 nan 0.000 0.428 127 D N 1.708 122.148 120.400 0.065 0.000 2.133 127 D HA -0.001 4.640 4.640 0.001 0.000 0.195 127 D C 1.388 177.724 176.300 0.061 0.000 0.997 127 D CA 1.418 55.456 54.000 0.065 0.000 0.840 127 D CB -1.020 39.823 40.800 0.071 0.000 0.947 127 D HN 1.024 nan 8.370 nan 0.000 0.452 128 G N 0.352 109.175 108.800 0.038 0.000 2.398 128 G HA2 -0.051 3.910 3.960 0.001 0.000 0.221 128 G HA3 -0.051 3.910 3.960 0.001 0.000 0.221 128 G C -0.319 174.582 174.900 0.001 0.000 1.112 128 G CA -0.573 44.535 45.100 0.014 0.000 0.823 128 G HN 0.310 nan 8.290 nan 0.000 0.487 129 R N -0.903 119.548 120.500 -0.081 0.000 2.787 129 R HA 0.779 5.120 4.340 0.001 0.000 0.271 129 R C -0.983 175.100 176.300 -0.363 0.000 0.993 129 R CA -0.863 55.192 56.100 -0.075 0.000 0.993 129 R CB 1.202 31.490 30.300 -0.019 0.000 1.155 129 R HN 0.064 nan 8.270 nan 0.000 0.486 130 F N 1.832 121.653 119.950 -0.215 0.000 2.375 130 F HA 0.376 4.904 4.527 0.001 0.000 0.361 130 F C -0.674 174.965 175.800 -0.268 0.000 1.117 130 F CA -0.571 57.344 58.000 -0.143 0.000 1.037 130 F CB 0.838 39.800 39.000 -0.065 0.000 1.192 130 F HN 0.305 nan 8.300 nan 0.000 0.452 131 Y N 1.961 122.349 120.300 0.147 0.000 2.409 131 Y HA 0.441 4.992 4.550 0.001 0.000 0.339 131 Y C -0.357 175.671 175.900 0.214 0.000 1.033 131 Y CA -1.156 57.057 58.100 0.189 0.000 1.094 131 Y CB 1.116 39.612 38.460 0.060 0.000 1.210 131 Y HN 0.334 nan 8.280 nan 0.000 0.456 132 F N 2.899 122.968 119.950 0.198 0.000 2.613 132 F HA 0.060 4.588 4.527 0.001 0.000 0.341 132 F C 1.318 177.186 175.800 0.112 0.000 1.288 132 F CA -0.614 57.472 58.000 0.143 0.000 1.103 132 F CB -0.218 38.869 39.000 0.144 0.000 1.423 132 F HN 0.424 nan 8.300 nan 0.000 0.651 133 V N -1.455 118.519 119.914 0.100 0.000 3.078 133 V HA -0.037 4.084 4.120 0.001 0.000 0.265 133 V C 0.243 176.460 176.094 0.206 0.000 1.122 133 V CA 1.043 63.374 62.300 0.051 0.000 1.141 133 V CB -0.732 30.800 31.823 -0.485 0.000 0.735 133 V HN 0.598 nan 8.190 nan 0.000 0.498 134 D N -1.848 118.660 120.400 0.178 0.000 2.734 134 D HA 0.484 5.125 4.640 0.001 0.000 0.224 134 D C -1.457 174.938 176.300 0.158 0.000 1.222 134 D CA -0.444 53.682 54.000 0.210 0.000 0.761 134 D CB 1.632 42.590 40.800 0.263 0.000 1.569 134 D HN 0.122 nan 8.370 nan 0.000 0.477 135 I N 3.776 124.415 120.570 0.115 0.000 2.509 135 I HA 0.229 4.400 4.170 0.001 0.000 0.293 135 I C 0.738 176.827 176.117 -0.046 0.000 1.020 135 I CA -0.907 60.382 61.300 -0.019 0.000 1.088 135 I CB 1.648 39.664 38.000 0.027 0.000 1.267 135 I HN 0.486 nan 8.210 nan 0.000 0.430 136 M N 3.201 122.727 119.600 -0.125 0.000 3.980 136 M HA -0.046 4.435 4.480 0.001 0.000 0.309 136 M C 1.046 177.352 176.300 0.010 0.000 1.141 136 M CA 1.901 57.186 55.300 -0.024 0.000 1.055 136 M CB -0.467 32.133 32.600 -0.001 0.000 1.052 136 M HN 0.530 nan 8.290 nan 0.000 0.689 137 T N -1.225 113.363 114.554 0.057 0.000 3.948 137 T HA 0.265 4.616 4.350 0.001 0.000 0.303 137 T C -0.154 174.621 174.700 0.125 0.000 0.942 137 T CA -0.164 61.977 62.100 0.069 0.000 1.028 137 T CB -0.351 68.563 68.868 0.076 0.000 1.154 137 T HN 0.184 nan 8.240 nan 0.000 0.471 138 F N 3.240 123.135 119.950 -0.092 0.000 2.713 138 F HA 0.194 4.721 4.527 0.001 0.000 0.294 138 F C 0.672 176.444 175.800 -0.046 0.000 1.152 138 F CA -0.383 57.577 58.000 -0.066 0.000 1.385 138 F CB 0.039 38.995 39.000 -0.074 0.000 0.981 138 F HN 0.220 nan 8.300 nan 0.000 0.514 139 S N 0.227 115.815 115.700 -0.186 0.000 4.216 139 S HA -0.233 4.238 4.470 0.001 0.000 0.260 139 S C -0.063 174.465 174.600 -0.120 0.000 0.746 139 S CA 0.390 58.496 58.200 -0.157 0.000 1.304 139 S CB -1.204 61.869 63.200 -0.213 0.000 1.988 139 S HN 0.460 nan 8.310 nan 0.000 0.386 140 S N 0.803 116.486 115.700 -0.029 0.000 2.704 140 S HA 0.470 4.941 4.470 0.001 0.000 0.296 140 S C 0.928 175.534 174.600 0.010 0.000 1.138 140 S CA -0.741 57.469 58.200 0.016 0.000 0.875 140 S CB 1.444 64.715 63.200 0.119 0.000 1.151 140 S HN 0.606 nan 8.310 nan 0.000 0.500 141 E N 0.388 120.589 120.200 0.000 0.000 2.273 141 E HA -0.088 4.262 4.350 0.001 0.000 0.198 141 E C 0.008 176.586 176.600 -0.037 0.000 1.002 141 E CA 0.901 57.286 56.400 -0.025 0.000 0.828 141 E CB -0.171 29.508 29.700 -0.036 0.000 0.747 141 E HN 0.517 nan 8.360 nan 0.000 0.491 142 I N 2.045 122.608 120.570 -0.012 0.000 2.428 142 I HA 0.123 4.294 4.170 0.001 0.000 0.289 142 I C 0.549 176.662 176.117 -0.006 0.000 1.019 142 I CA -0.099 61.162 61.300 -0.065 0.000 1.351 142 I CB 0.809 38.781 38.000 -0.046 0.000 1.412 142 I HN -0.027 nan 8.210 nan 0.000 0.513 143 R N 4.181 124.648 120.500 -0.055 0.000 2.888 143 R HA 0.722 5.063 4.340 0.001 0.000 0.264 143 R C -0.786 175.543 176.300 0.049 0.000 1.045 143 R CA -0.961 55.152 56.100 0.022 0.000 0.962 143 R CB 0.737 31.052 30.300 0.025 0.000 1.210 143 R HN 0.222 nan 8.270 nan 0.000 0.479 144 V N 0.347 120.338 119.914 0.129 0.000 3.996 144 V HA 0.046 4.167 4.120 0.001 0.000 0.296 144 V C 1.767 177.966 176.094 0.176 0.000 1.074 144 V CA 1.267 63.684 62.300 0.194 0.000 1.132 144 V CB 0.254 32.196 31.823 0.199 0.000 1.161 144 V HN 1.110 nan 8.190 nan 0.000 0.475 145 G N 0.232 109.154 108.800 0.203 0.000 2.243 145 G HA2 -0.257 3.704 3.960 0.001 0.000 0.276 145 G HA3 -0.257 3.704 3.960 0.001 0.000 0.276 145 G C -0.020 175.028 174.900 0.247 0.000 0.997 145 G CA 0.745 45.936 45.100 0.153 0.000 0.693 145 G HN 0.776 nan 8.290 nan 0.000 0.529 146 D N 0.433 120.947 120.400 0.190 0.000 2.277 146 D HA 0.394 5.034 4.640 0.001 0.000 0.249 146 D C 0.486 176.865 176.300 0.130 0.000 1.134 146 D CA -0.185 53.853 54.000 0.063 0.000 0.863 146 D CB 0.959 41.616 40.800 -0.238 0.000 1.143 146 D HN 0.465 nan 8.370 nan 0.000 0.458 147 E N 1.958 122.174 120.200 0.027 0.000 2.316 147 E HA 0.186 4.536 4.350 0.001 0.000 0.275 147 E C -0.777 175.830 176.600 0.012 0.000 1.029 147 E CA -0.690 55.605 56.400 -0.175 0.000 0.871 147 E CB 0.739 30.269 29.700 -0.283 0.000 1.022 147 E HN 0.208 nan 8.360 nan 0.000 0.418 148 L N 5.360 126.669 121.223 0.143 0.000 2.307 148 L HA 0.239 4.580 4.340 0.001 0.000 0.282 148 L C -0.252 176.654 176.870 0.061 0.000 1.051 148 L CA 0.344 55.311 54.840 0.212 0.000 0.804 148 L CB 1.120 43.404 42.059 0.375 0.000 1.197 148 L HN 0.802 nan 8.230 nan 0.000 0.431 149 L N 2.372 123.607 121.223 0.020 0.000 2.586 149 L HA 0.421 4.762 4.340 0.001 0.000 0.204 149 L C 0.061 176.899 176.870 -0.052 0.000 1.053 149 L CA 0.068 54.896 54.840 -0.020 0.000 0.856 149 L CB 0.460 42.514 42.059 -0.009 0.000 1.192 149 L HN 0.621 nan 8.230 nan 0.000 0.484 150 E N -0.849 119.329 120.200 -0.037 0.000 2.390 150 E HA 0.447 4.797 4.350 0.001 0.000 0.277 150 E C -1.581 174.999 176.600 -0.033 0.000 0.939 150 E CA -0.542 55.829 56.400 -0.049 0.000 0.769 150 E CB 3.300 32.978 29.700 -0.037 0.000 1.251 150 E HN -0.293 nan 8.360 nan 0.000 0.450 151 V N 2.287 122.176 119.914 -0.042 0.000 2.376 151 V HA 0.199 4.320 4.120 0.001 0.000 0.287 151 V C -0.308 175.780 176.094 -0.009 0.000 1.015 151 V CA -0.604 61.685 62.300 -0.019 0.000 0.834 151 V CB 1.235 33.043 31.823 -0.025 0.000 1.001 151 V HN 0.840 nan 8.190 nan 0.000 0.428 152 D N 3.998 124.398 120.400 0.001 0.000 2.800 152 D HA -0.177 4.463 4.640 0.001 0.000 0.232 152 D C 1.124 177.420 176.300 -0.006 0.000 1.137 152 D CA 1.285 55.288 54.000 0.006 0.000 0.718 152 D CB -0.872 39.941 40.800 0.023 0.000 1.084 152 D HN 1.472 nan 8.370 nan 0.000 0.432 153 G N -0.781 108.011 108.800 -0.013 0.000 2.182 153 G HA2 0.019 3.980 3.960 0.001 0.000 0.248 153 G HA3 0.019 3.980 3.960 0.001 0.000 0.248 153 G C 0.143 175.028 174.900 -0.024 0.000 1.042 153 G CA 0.492 45.583 45.100 -0.016 0.000 0.775 153 G HN 1.244 nan 8.290 nan 0.000 0.501 154 A N 0.401 123.200 122.820 -0.034 0.000 2.385 154 A HA 0.853 5.174 4.320 0.001 0.000 0.290 154 A C -2.187 175.355 177.584 -0.071 0.000 1.094 154 A CA -1.334 50.673 52.037 -0.050 0.000 0.729 154 A CB 2.262 21.230 19.000 -0.054 0.000 1.194 154 A HN 0.222 nan 8.150 nan 0.000 0.442 155 P HA 0.029 nan 4.420 nan 0.000 0.262 155 P C 1.313 178.522 177.300 -0.153 0.000 1.182 155 P CA 0.242 63.287 63.100 -0.091 0.000 0.761 155 P CB 0.778 32.441 31.700 -0.062 0.000 0.795 156 V N 3.737 123.514 119.914 -0.230 0.000 2.236 156 V HA -0.366 3.755 4.120 0.001 0.000 0.255 156 V C 2.645 178.536 176.094 -0.337 0.000 1.068 156 V CA 2.652 64.724 62.300 -0.381 0.000 1.044 156 V CB -1.622 29.750 31.823 -0.751 0.000 0.653 156 V HN 0.536 nan 8.190 nan 0.000 0.448 157 Q N -0.029 119.606 119.800 -0.275 0.000 2.065 157 Q HA -0.285 4.056 4.340 0.001 0.000 0.213 157 Q C 2.059 177.970 176.000 -0.147 0.000 1.012 157 Q CA 2.553 58.279 55.803 -0.129 0.000 0.876 157 Q CB -0.575 28.152 28.738 -0.019 0.000 0.954 157 Q HN 0.684 nan 8.270 nan 0.000 0.413 158 D N -0.619 119.698 120.400 -0.138 0.000 2.097 158 D HA -0.107 4.534 4.640 0.001 0.000 0.195 158 D C 1.947 178.130 176.300 -0.195 0.000 0.989 158 D CA 1.347 55.258 54.000 -0.149 0.000 0.827 158 D CB -0.075 40.665 40.800 -0.100 0.000 0.966 158 D HN 0.092 nan 8.370 nan 0.000 0.456 159 V N 1.408 121.214 119.914 -0.181 0.000 2.546 159 V HA -0.227 3.894 4.120 0.001 0.000 0.254 159 V C 2.516 178.476 176.094 -0.223 0.000 1.076 159 V CA 1.154 63.347 62.300 -0.177 0.000 1.087 159 V CB -0.412 31.308 31.823 -0.172 0.000 0.674 159 V HN 0.187 nan 8.190 nan 0.000 0.470 160 L N -0.398 120.660 121.223 -0.274 0.000 2.102 160 L HA 0.055 4.396 4.340 0.001 0.000 0.202 160 L C 2.761 179.213 176.870 -0.696 0.000 1.076 160 L CA 1.083 55.741 54.840 -0.304 0.000 0.761 160 L CB -0.814 41.159 42.059 -0.143 0.000 0.921 160 L HN 0.291 nan 8.230 nan 0.000 0.444 161 A N 0.590 122.839 122.820 -0.952 0.000 1.940 161 A HA -0.347 3.974 4.320 0.001 0.000 0.221 161 A C 2.430 179.486 177.584 -0.880 0.000 1.190 161 A CA 2.838 53.953 52.037 -1.537 0.000 0.647 161 A CB -1.309 17.294 19.000 -0.661 0.000 0.821 161 A HN 0.551 nan 8.150 nan 0.000 0.457 162 T N -1.267 113.019 114.554 -0.447 0.000 2.737 162 T HA -0.157 4.194 4.350 0.001 0.000 0.269 162 T C 1.688 176.298 174.700 -0.150 0.000 1.040 162 T CA 1.773 63.740 62.100 -0.222 0.000 1.142 162 T CB -0.619 68.162 68.868 -0.145 0.000 0.861 162 T HN 0.375 nan 8.240 nan 0.000 0.456 163 L N -0.660 120.457 121.223 -0.177 0.000 2.395 163 L HA 0.161 4.502 4.340 0.001 0.000 0.218 163 L C 1.088 178.058 176.870 0.166 0.000 1.130 163 L CA -0.127 54.708 54.840 -0.008 0.000 0.826 163 L CB -0.574 41.485 42.059 -0.001 0.000 0.941 163 L HN 0.242 nan 8.230 nan 0.000 0.451 164 Y N 0.695 121.004 120.300 0.014 0.000 2.341 164 Y HA 0.144 4.695 4.550 0.001 0.000 0.357 164 Y C 1.328 177.286 175.900 0.096 0.000 1.261 164 Y CA -0.398 57.739 58.100 0.062 0.000 1.547 164 Y CB -0.544 37.810 38.460 -0.176 0.000 1.363 164 Y HN -0.096 nan 8.280 nan 0.000 0.692 165 G N -0.457 108.539 108.800 0.326 0.000 2.606 165 G HA2 0.365 4.326 3.960 0.001 0.000 0.262 165 G HA3 0.365 4.326 3.960 0.001 0.000 0.262 165 G C 0.657 175.660 174.900 0.171 0.000 1.394 165 G CA -0.091 45.120 45.100 0.185 0.000 1.044 165 G HN 0.538 nan 8.290 nan 0.000 0.553 166 S N 0.165 115.936 115.700 0.118 0.000 2.331 166 S HA -0.085 4.386 4.470 0.001 0.000 0.208 166 S C 1.354 176.029 174.600 0.124 0.000 1.032 166 S CA 0.849 59.118 58.200 0.114 0.000 0.991 166 S CB -0.400 62.862 63.200 0.104 0.000 0.980 166 S HN 0.494 nan 8.310 nan 0.000 0.433 167 N N 1.866 120.625 118.700 0.099 0.000 3.111 167 N HA 0.078 4.819 4.740 0.001 0.000 0.302 167 N C -0.127 175.430 175.510 0.078 0.000 1.317 167 N CA 0.074 53.173 53.050 0.082 0.000 1.151 167 N CB -0.460 38.064 38.487 0.062 0.000 1.456 167 N HN 0.395 nan 8.380 nan 0.000 0.547 168 H N 1.351 120.433 119.070 0.020 0.000 3.001 168 H HA -0.003 4.554 4.556 0.001 0.000 0.334 168 H C 0.363 175.680 175.328 -0.019 0.000 1.034 168 H CA 0.999 57.039 56.048 -0.014 0.000 1.420 168 H CB 0.789 30.557 29.762 0.010 0.000 1.405 168 H HN 0.241 nan 8.280 nan 0.000 0.593 169 K N 3.058 123.253 120.400 -0.342 0.000 2.414 169 K HA 0.112 4.433 4.320 0.001 0.000 0.204 169 K C 0.880 177.379 176.600 -0.169 0.000 1.026 169 K CA 0.355 56.543 56.287 -0.165 0.000 1.108 169 K CB 0.785 33.235 32.500 -0.083 0.000 0.855 169 K HN 0.940 nan 8.250 nan 0.000 0.517 170 G N 3.098 111.678 108.800 -0.366 0.000 2.249 170 G HA2 -0.296 3.665 3.960 0.001 0.000 0.273 170 G HA3 -0.296 3.665 3.960 0.001 0.000 0.273 170 G C 0.254 175.110 174.900 -0.072 0.000 1.036 170 G CA 0.920 45.967 45.100 -0.088 0.000 0.824 170 G HN 0.412 nan 8.290 nan 0.000 0.504 171 T N -3.593 110.873 114.554 -0.146 0.000 2.902 171 T HA 0.792 5.142 4.350 0.001 0.000 0.280 171 T C 1.679 176.376 174.700 -0.006 0.000 0.992 171 T CA 0.315 62.395 62.100 -0.033 0.000 1.015 171 T CB 1.898 70.767 68.868 0.002 0.000 1.044 171 T HN 1.282 nan 8.240 nan 0.000 0.520 172 A N 1.624 124.463 122.820 0.032 0.000 1.845 172 A HA 0.185 4.506 4.320 0.001 0.000 0.215 172 A C 2.716 180.333 177.584 0.055 0.000 1.195 172 A CA 2.030 54.097 52.037 0.051 0.000 0.616 172 A CB -1.697 17.335 19.000 0.054 0.000 0.832 172 A HN 1.419 nan 8.150 nan 0.000 0.443 173 A N -0.259 122.584 122.820 0.037 0.000 1.954 173 A HA -0.323 3.997 4.320 0.001 0.000 0.222 173 A C 1.930 179.611 177.584 0.162 0.000 1.199 173 A CA 2.251 54.310 52.037 0.037 0.000 0.657 173 A CB -0.740 18.242 19.000 -0.029 0.000 0.823 173 A HN 0.712 nan 8.150 nan 0.000 0.463 174 E N -1.487 118.804 120.200 0.151 0.000 2.016 174 E HA -0.182 4.169 4.350 0.001 0.000 0.190 174 E C 2.091 178.777 176.600 0.143 0.000 0.985 174 E CA 0.987 57.474 56.400 0.144 0.000 0.802 174 E CB -0.237 29.395 29.700 -0.113 0.000 0.762 174 E HN 0.649 nan 8.360 nan 0.000 0.448 175 E N 1.193 121.449 120.200 0.092 0.000 2.208 175 E HA -0.207 4.144 4.350 0.001 0.000 0.202 175 E C 1.863 178.601 176.600 0.230 0.000 1.014 175 E CA 1.577 58.084 56.400 0.178 0.000 0.819 175 E CB -0.105 29.699 29.700 0.173 0.000 0.735 175 E HN 0.033 nan 8.360 nan 0.000 0.469 176 S N -0.019 115.795 115.700 0.191 0.000 2.336 176 S HA -0.125 4.346 4.470 0.001 0.000 0.214 176 S C 2.033 176.785 174.600 0.253 0.000 1.032 176 S CA 1.118 59.432 58.200 0.190 0.000 1.001 176 S CB -0.982 62.308 63.200 0.149 0.000 0.953 176 S HN 0.552 nan 8.310 nan 0.000 0.430 177 A N 2.287 125.309 122.820 0.338 0.000 1.906 177 A HA -0.248 4.073 4.320 0.001 0.000 0.222 177 A C 2.370 180.153 177.584 0.332 0.000 1.282 177 A CA 2.681 54.985 52.037 0.446 0.000 0.675 177 A CB -1.644 17.660 19.000 0.507 0.000 0.838 177 A HN 0.628 nan 8.150 nan 0.000 0.469 178 A N -0.668 122.339 122.820 0.313 0.000 1.863 178 A HA -0.244 4.077 4.320 0.001 0.000 0.218 178 A C 2.289 179.979 177.584 0.176 0.000 1.233 178 A CA 2.079 54.286 52.037 0.283 0.000 0.655 178 A CB -1.053 18.221 19.000 0.457 0.000 0.839 178 A HN 0.893 nan 8.150 nan 0.000 0.454 179 L N -0.877 120.462 121.223 0.192 0.000 2.021 179 L HA -0.300 4.041 4.340 0.001 0.000 0.215 179 L C 2.851 179.782 176.870 0.101 0.000 1.074 179 L CA 2.131 57.049 54.840 0.130 0.000 0.760 179 L CB -0.344 41.835 42.059 0.201 0.000 0.889 179 L HN 0.441 nan 8.230 nan 0.000 0.433 180 R N -0.866 119.722 120.500 0.146 0.000 2.140 180 R HA -0.214 4.127 4.340 0.001 0.000 0.250 180 R C 1.983 178.337 176.300 0.090 0.000 1.150 180 R CA 2.259 58.438 56.100 0.131 0.000 0.966 180 R CB -0.771 29.631 30.300 0.170 0.000 0.869 180 R HN 0.605 nan 8.270 nan 0.000 0.445 181 T N -1.417 113.174 114.554 0.062 0.000 3.081 181 T HA 0.111 4.462 4.350 0.001 0.000 0.250 181 T C 1.727 176.419 174.700 -0.012 0.000 1.100 181 T CA -0.054 62.032 62.100 -0.024 0.000 1.038 181 T CB 0.004 68.760 68.868 -0.186 0.000 0.962 181 T HN 0.173 nan 8.240 nan 0.000 0.516 182 L N -0.047 121.153 121.223 -0.038 0.000 2.021 182 L HA -0.061 4.280 4.340 0.001 0.000 0.215 182 L C 1.507 178.303 176.870 -0.123 0.000 1.074 182 L CA 1.924 56.652 54.840 -0.187 0.000 0.760 182 L CB -0.283 41.534 42.059 -0.403 0.000 0.889 182 L HN 0.314 nan 8.230 nan 0.000 0.433 183 F N -1.708 118.381 119.950 0.233 0.000 2.664 183 F HA 0.203 4.731 4.527 0.001 0.000 0.303 183 F C 0.722 176.832 175.800 0.517 0.000 1.092 183 F CA -0.326 57.881 58.000 0.343 0.000 1.305 183 F CB 0.686 39.786 39.000 0.167 0.000 1.054 183 F HN -0.065 nan 8.300 nan 0.000 0.565 184 S N 1.262 117.246 115.700 0.473 0.000 2.789 184 S HA 0.485 4.956 4.470 0.001 0.000 0.286 184 S C -0.846 173.844 174.600 0.150 0.000 1.153 184 S CA -0.691 57.719 58.200 0.350 0.000 1.084 184 S CB 0.360 63.615 63.200 0.092 0.000 1.036 184 S HN -0.006 nan 8.310 nan 0.000 0.484 185 R N 3.894 124.504 120.500 0.183 0.000 2.445 185 R HA 0.565 4.906 4.340 0.001 0.000 0.308 185 R C -0.731 175.681 176.300 0.186 0.000 0.961 185 R CA -0.431 55.718 56.100 0.082 0.000 0.862 185 R CB 1.413 31.684 30.300 -0.048 0.000 1.144 185 R HN 0.627 nan 8.270 nan 0.000 0.447 186 M N 1.390 121.176 119.600 0.310 0.000 2.259 186 M HA 0.373 4.854 4.480 0.001 0.000 0.304 186 M C 0.694 177.097 176.300 0.171 0.000 1.019 186 M CA -0.703 54.738 55.300 0.234 0.000 0.922 186 M CB 2.353 35.075 32.600 0.203 0.000 1.600 186 M HN 0.718 nan 8.290 nan 0.000 0.433 187 A N 1.306 124.190 122.820 0.106 0.000 2.016 187 A HA -0.024 4.297 4.320 0.001 0.000 0.217 187 A C 1.852 179.491 177.584 0.092 0.000 1.162 187 A CA 1.439 53.515 52.037 0.065 0.000 0.662 187 A CB -0.384 18.642 19.000 0.044 0.000 0.812 187 A HN 0.866 nan 8.150 nan 0.000 0.450 188 S N 0.054 115.816 115.700 0.104 0.000 2.441 188 S HA -0.128 4.342 4.470 0.001 0.000 0.242 188 S C 1.191 175.891 174.600 0.166 0.000 1.018 188 S CA 1.561 59.834 58.200 0.122 0.000 0.988 188 S CB -0.313 62.913 63.200 0.044 0.000 0.778 188 S HN 0.565 nan 8.310 nan 0.000 0.498 189 L N -0.446 120.826 121.223 0.082 0.000 3.016 189 L HA 0.405 4.746 4.340 0.001 0.000 0.267 189 L C 1.385 178.243 176.870 -0.020 0.000 1.182 189 L CA 0.168 55.003 54.840 -0.009 0.000 0.997 189 L CB 0.167 42.095 42.059 -0.218 0.000 1.354 189 L HN 0.389 nan 8.230 nan 0.000 0.569 190 G N -0.308 108.522 108.800 0.050 0.000 2.141 190 G HA2 -0.227 3.734 3.960 0.001 0.000 0.242 190 G HA3 -0.227 3.734 3.960 0.001 0.000 0.242 190 G C 0.139 175.010 174.900 -0.048 0.000 0.982 190 G CA -0.307 44.773 45.100 -0.034 0.000 0.662 190 G HN 0.374 nan 8.290 nan 0.000 0.527 191 H N 0.687 119.804 119.070 0.079 0.000 2.732 191 H HA 0.242 4.799 4.556 0.001 0.000 0.351 191 H C 0.870 176.209 175.328 0.019 0.000 1.090 191 H CA 0.111 56.190 56.048 0.053 0.000 1.431 191 H CB 0.661 30.456 29.762 0.056 0.000 1.447 191 H HN 0.261 nan 8.280 nan 0.000 0.582 192 K N 2.764 123.247 120.400 0.138 0.000 2.237 192 K HA 0.128 4.449 4.320 0.001 0.000 0.283 192 K C -0.283 176.323 176.600 0.009 0.000 1.080 192 K CA -0.237 56.085 56.287 0.057 0.000 0.965 192 K CB 0.129 32.653 32.500 0.039 0.000 1.098 192 K HN 0.222 nan 8.250 nan 0.000 0.434 193 V N 6.333 126.259 119.914 0.020 0.000 2.529 193 V HA 0.038 4.158 4.120 0.001 0.000 0.292 193 V C -1.025 174.998 176.094 -0.118 0.000 1.028 193 V CA -0.874 61.411 62.300 -0.025 0.000 1.074 193 V CB -0.028 31.857 31.823 0.103 0.000 0.958 193 V HN 0.729 nan 8.190 nan 0.000 0.481 194 P HA 0.715 nan 4.420 nan 0.000 0.304 194 P C -1.006 176.004 177.300 -0.483 0.000 1.310 194 P CA -0.576 62.267 63.100 -0.429 0.000 0.796 194 P CB 2.021 33.371 31.700 -0.583 0.000 1.297 195 S N -3.467 112.019 115.700 -0.356 0.000 2.678 195 S HA 0.611 5.082 4.470 0.001 0.000 0.290 195 S C -0.354 174.273 174.600 0.046 0.000 1.047 195 S CA -0.100 58.011 58.200 -0.149 0.000 0.851 195 S CB 0.568 63.529 63.200 -0.398 0.000 1.058 195 S HN 1.084 nan 8.310 nan 0.000 0.451 196 G N 1.582 110.496 108.800 0.192 0.000 2.409 196 G HA2 0.113 4.074 3.960 0.001 0.000 0.421 196 G HA3 0.113 4.074 3.960 0.001 0.000 0.421 196 G C -1.044 173.977 174.900 0.201 0.000 1.259 196 G CA -0.922 44.265 45.100 0.146 0.000 1.011 196 G HN 0.847 nan 8.290 nan 0.000 0.497 197 R N -0.527 120.042 120.500 0.115 0.000 2.679 197 R HA 0.612 4.953 4.340 0.001 0.000 0.269 197 R C 0.006 176.362 176.300 0.094 0.000 1.076 197 R CA 0.700 56.849 56.100 0.080 0.000 1.160 197 R CB 1.057 31.384 30.300 0.044 0.000 1.054 197 R HN 0.743 nan 8.270 nan 0.000 0.507 198 T N 0.348 114.926 114.554 0.040 0.000 2.932 198 T HA 0.242 4.593 4.350 0.001 0.000 0.318 198 T C -0.938 173.755 174.700 -0.011 0.000 1.265 198 T CA -0.583 61.539 62.100 0.037 0.000 1.036 198 T CB 1.570 70.468 68.868 0.050 0.000 1.209 198 T HN 0.506 nan 8.240 nan 0.000 0.484 199 T N 3.972 118.526 114.554 -0.000 0.000 2.922 199 T HA 0.676 5.027 4.350 0.001 0.000 0.285 199 T C -0.351 174.337 174.700 -0.021 0.000 1.005 199 T CA -0.562 61.529 62.100 -0.016 0.000 1.061 199 T CB 0.492 69.355 68.868 -0.008 0.000 1.007 199 T HN 0.472 nan 8.240 nan 0.000 0.502 200 L N 2.296 123.499 121.223 -0.033 0.000 2.492 200 L HA 0.355 4.695 4.340 0.001 0.000 0.259 200 L C 0.081 176.936 176.870 -0.026 0.000 1.229 200 L CA -0.594 54.234 54.840 -0.019 0.000 0.903 200 L CB 1.071 43.101 42.059 -0.048 0.000 1.114 200 L HN 0.526 nan 8.230 nan 0.000 0.494 201 K N 4.666 125.057 120.400 -0.015 0.000 2.165 201 K HA 0.225 4.546 4.320 0.001 0.000 0.270 201 K C -0.193 176.397 176.600 -0.016 0.000 1.091 201 K CA -0.112 56.163 56.287 -0.020 0.000 1.019 201 K CB 0.004 32.495 32.500 -0.016 0.000 1.101 201 K HN 0.600 nan 8.250 nan 0.000 0.397 202 I N 0.939 121.481 120.570 -0.047 0.000 2.354 202 I HA 0.398 4.569 4.170 0.001 0.000 0.292 202 I C -0.504 175.582 176.117 -0.051 0.000 0.989 202 I CA -1.071 60.188 61.300 -0.068 0.000 1.188 202 I CB 1.533 39.413 38.000 -0.200 0.000 1.342 202 I HN 0.358 nan 8.210 nan 0.000 0.457 203 R N 6.161 126.646 120.500 -0.025 0.000 2.207 203 R HA 0.378 4.719 4.340 0.001 0.000 0.334 203 R C 0.171 176.488 176.300 0.028 0.000 1.013 203 R CA -0.595 55.508 56.100 0.005 0.000 0.858 203 R CB 0.682 30.993 30.300 0.018 0.000 1.094 203 R HN 0.698 nan 8.270 nan 0.000 0.457 204 R N 4.182 124.707 120.500 0.042 0.000 3.127 204 R HA -0.023 4.318 4.340 0.001 0.000 0.290 204 R C -1.595 174.802 176.300 0.161 0.000 1.089 204 R CA -0.871 55.281 56.100 0.087 0.000 1.188 204 R CB -0.241 30.112 30.300 0.088 0.000 1.175 204 R HN 0.586 nan 8.270 nan 0.000 0.550 205 P HA -0.005 nan 4.420 nan 0.000 0.240 205 P C 0.961 178.384 177.300 0.205 0.000 1.190 205 P CA 0.865 64.092 63.100 0.213 0.000 0.781 205 P CB 0.113 31.941 31.700 0.214 0.000 0.931 206 F N 1.024 121.007 119.950 0.055 0.000 2.367 206 F HA 0.224 4.752 4.527 0.001 0.000 0.298 206 F C 1.938 177.762 175.800 0.039 0.000 1.094 206 F CA 1.711 59.739 58.000 0.046 0.000 1.409 206 F CB -0.695 38.326 39.000 0.036 0.000 1.064 206 F HN 0.107 nan 8.300 nan 0.000 0.528 207 G N -0.116 108.805 108.800 0.201 0.000 2.143 207 G HA2 -0.181 3.780 3.960 0.001 0.000 0.175 207 G HA3 -0.181 3.780 3.960 0.001 0.000 0.175 207 G C 0.273 175.239 174.900 0.109 0.000 1.004 207 G CA 0.112 45.286 45.100 0.122 0.000 0.671 207 G HN 0.441 nan 8.290 nan 0.000 0.512 208 T N 0.099 114.725 114.554 0.120 0.000 2.895 208 T HA 0.684 5.035 4.350 0.001 0.000 0.283 208 T C 0.190 174.912 174.700 0.037 0.000 1.014 208 T CA 0.589 62.730 62.100 0.069 0.000 1.037 208 T CB 1.527 70.425 68.868 0.050 0.000 1.006 208 T HN 0.216 nan 8.240 nan 0.000 0.468 209 T N 5.665 120.229 114.554 0.017 0.000 2.794 209 T HA 0.688 5.038 4.350 0.001 0.000 0.280 209 T C -0.509 174.183 174.700 -0.013 0.000 0.987 209 T CA -0.903 61.198 62.100 0.002 0.000 0.993 209 T CB 0.701 69.571 68.868 0.004 0.000 0.939 209 T HN 0.496 nan 8.240 nan 0.000 0.449 210 R N 2.078 122.563 120.500 -0.025 0.000 2.808 210 R HA 0.595 4.936 4.340 0.001 0.000 0.272 210 R C -0.990 175.286 176.300 -0.040 0.000 0.995 210 R CA -0.950 55.128 56.100 -0.036 0.000 0.917 210 R CB 1.710 31.980 30.300 -0.049 0.000 1.217 210 R HN 0.659 nan 8.270 nan 0.000 0.471 211 E N 0.862 121.038 120.200 -0.039 0.000 2.260 211 E HA 0.420 4.771 4.350 0.001 0.000 0.266 211 E C -0.864 175.710 176.600 -0.045 0.000 0.887 211 E CA -0.771 55.605 56.400 -0.039 0.000 0.777 211 E CB 2.639 32.323 29.700 -0.027 0.000 1.205 211 E HN 0.153 nan 8.360 nan 0.000 0.414 212 V N 2.297 122.177 119.914 -0.058 0.000 2.732 212 V HA 0.540 4.661 4.120 0.001 0.000 0.310 212 V C -0.226 175.834 176.094 -0.056 0.000 1.053 212 V CA -0.945 61.318 62.300 -0.062 0.000 0.957 212 V CB 1.782 33.551 31.823 -0.090 0.000 1.018 212 V HN 0.541 nan 8.190 nan 0.000 0.452 213 R N 1.882 122.356 120.500 -0.044 0.000 2.337 213 R HA 0.716 5.057 4.340 0.001 0.000 0.319 213 R C -1.367 174.910 176.300 -0.038 0.000 0.954 213 R CA -0.124 55.955 56.100 -0.035 0.000 0.840 213 R CB 1.340 31.631 30.300 -0.015 0.000 1.164 213 R HN 0.620 nan 8.270 nan 0.000 0.472 214 V N 3.140 123.013 119.914 -0.069 0.000 2.960 214 V HA 0.534 4.655 4.120 0.001 0.000 0.315 214 V C -0.474 175.574 176.094 -0.077 0.000 1.087 214 V CA -1.072 61.185 62.300 -0.072 0.000 0.982 214 V CB 2.081 33.825 31.823 -0.130 0.000 1.039 214 V HN 0.613 nan 8.190 nan 0.000 0.437 215 K N 1.270 121.648 120.400 -0.037 0.000 2.206 215 K HA 0.357 4.678 4.320 0.001 0.000 0.264 215 K C -1.341 175.267 176.600 0.014 0.000 0.967 215 K CA -0.536 55.761 56.287 0.017 0.000 0.844 215 K CB 1.015 33.550 32.500 0.058 0.000 1.099 215 K HN 0.649 nan 8.250 nan 0.000 0.441 216 W N 3.089 124.417 121.300 0.047 0.000 2.253 216 W HA 0.148 4.809 4.660 0.001 0.000 0.322 216 W C 0.502 177.040 176.519 0.032 0.000 1.342 216 W CA -0.338 57.041 57.345 0.056 0.000 1.218 216 W CB 0.557 30.089 29.460 0.121 0.000 1.205 216 W HN 0.426 nan 8.180 nan 0.000 0.551 217 R N 3.627 124.232 120.500 0.174 0.000 2.441 217 R HA 0.075 4.416 4.340 0.001 0.000 0.300 217 R C -0.664 175.801 176.300 0.275 0.000 1.284 217 R CA -0.286 55.856 56.100 0.070 0.000 1.069 217 R CB -0.807 29.324 30.300 -0.283 0.000 1.087 217 R HN 0.368 nan 8.270 nan 0.000 0.519 218 Y N 1.821 122.215 120.300 0.156 0.000 2.316 218 Y HA 0.472 5.022 4.550 0.002 0.000 0.324 218 Y C -0.419 175.540 175.900 0.098 0.000 1.267 218 Y CA -0.585 57.593 58.100 0.129 0.000 1.311 218 Y CB 1.043 39.557 38.460 0.090 0.000 1.267 218 Y HN 0.146 nan 8.280 nan 0.000 0.516 219 V N 6.655 125.922 119.914 -1.079 0.000 2.577 219 V HA 0.374 4.494 4.120 0.001 0.000 0.303 219 V C -2.428 173.033 176.094 -1.055 0.000 1.042 219 V CA -1.984 59.877 62.300 -0.732 0.000 0.872 219 V CB 1.637 33.235 31.823 -0.374 0.000 0.998 219 V HN 0.705 nan 8.190 nan 0.000 0.423 220 P HA 0.214 nan 4.420 nan 0.000 0.275 220 P C -0.795 176.478 177.300 -0.045 0.000 1.228 220 P CA -0.200 62.893 63.100 -0.010 0.000 0.786 220 P CB 1.403 33.156 31.700 0.088 0.000 0.927 221 E N 2.139 122.360 120.200 0.036 0.000 2.105 221 E HA 0.415 4.766 4.350 0.001 0.000 0.285 221 E C 0.443 177.057 176.600 0.024 0.000 1.055 221 E CA -0.338 56.075 56.400 0.022 0.000 0.843 221 E CB -0.056 29.672 29.700 0.048 0.000 1.067 221 E HN 0.557 nan 8.360 nan 0.000 0.398 259 L N -0.949 120.156 121.223 -0.196 0.000 2.749 259 L HA 0.705 5.046 4.340 0.001 0.000 0.242 259 L C 1.896 178.505 176.870 -0.435 0.000 1.103 259 L CA 0.840 55.438 54.840 -0.403 0.000 0.906 259 L CB -1.327 40.388 42.059 -0.573 0.000 1.228 259 L HN 0.698 nan 8.230 nan 0.000 0.517 260 F N -1.197 118.644 119.950 -0.182 0.000 2.202 260 F HA 0.158 4.686 4.527 0.001 0.000 0.279 260 F C 1.945 177.932 175.800 0.311 0.000 1.077 260 F CA 0.513 58.484 58.000 -0.049 0.000 1.193 260 F CB -0.876 37.958 39.000 -0.277 0.000 1.090 260 F HN 0.192 nan 8.300 nan 0.000 0.516 261 Y N 0.676 121.235 120.300 0.432 0.000 2.822 261 Y HA -0.061 4.489 4.550 0.001 0.000 0.347 261 Y C 0.317 176.321 175.900 0.174 0.000 1.213 261 Y CA -0.425 57.850 58.100 0.292 0.000 1.279 261 Y CB -0.925 37.661 38.460 0.210 0.000 1.107 261 Y HN -0.134 nan 8.280 nan 0.000 0.491 262 S N 1.877 117.762 115.700 0.309 0.000 2.456 262 S HA 0.230 4.701 4.470 0.001 0.000 0.316 262 S C -2.240 172.427 174.600 0.110 0.000 1.089 262 S CA -1.439 56.860 58.200 0.164 0.000 1.101 262 S CB 1.065 64.327 63.200 0.104 0.000 0.995 262 S HN 0.085 nan 8.310 nan 0.000 0.468 263 P HA 0.034 nan 4.420 nan 0.000 0.263 263 P C -0.815 176.475 177.300 -0.017 0.000 1.195 263 P CA 0.066 63.177 63.100 0.020 0.000 0.762 263 P CB 0.269 31.986 31.700 0.028 0.000 0.799 264 M N 3.455 123.009 119.600 -0.076 0.000 2.156 264 M HA 0.353 4.834 4.480 0.001 0.000 0.345 264 M C -0.263 175.965 176.300 -0.120 0.000 1.398 264 M CA -0.083 55.156 55.300 -0.103 0.000 1.148 264 M CB 0.417 32.919 32.600 -0.164 0.000 1.663 264 M HN 0.108 nan 8.290 nan 0.000 0.464 265 V N 4.321 124.127 119.914 -0.180 0.000 3.177 265 V HA 0.438 4.559 4.120 0.001 0.000 0.287 265 V C -2.377 173.559 176.094 -0.264 0.000 1.465 265 V CA -1.242 60.941 62.300 -0.195 0.000 1.020 265 V CB 2.612 34.412 31.823 -0.039 0.000 1.152 265 V HN 0.661 nan 8.190 nan 0.000 0.448 266 P HA 0.217 nan 4.420 nan 0.000 0.274 266 P C 0.489 177.829 177.300 0.066 0.000 1.231 266 P CA 0.112 63.128 63.100 -0.140 0.000 0.790 266 P CB 0.546 32.120 31.700 -0.210 0.000 0.951 267 H N 1.861 120.910 119.070 -0.035 0.000 2.252 267 H HA -0.229 4.328 4.556 0.001 0.000 0.292 267 H C 1.395 176.791 175.328 0.113 0.000 1.082 267 H CA 1.097 57.147 56.048 0.002 0.000 1.229 267 H CB -1.649 28.085 29.762 -0.045 0.000 1.353 267 H HN 0.236 nan 8.280 nan 0.000 0.488 268 F N 0.787 120.131 119.950 -1.011 0.000 2.506 268 F HA -0.414 4.114 4.527 0.001 0.000 0.261 268 F C 2.507 178.155 175.800 -0.253 0.000 1.216 268 F CA 2.013 59.614 58.000 -0.666 0.000 1.596 268 F CB -1.660 37.070 39.000 -0.449 0.000 0.753 268 F HN 0.384 nan 8.300 nan 0.000 0.492 269 W N 0.383 121.560 121.300 -0.205 0.000 2.289 269 W HA -0.246 4.415 4.660 0.001 0.000 0.331 269 W C 2.689 179.061 176.519 -0.245 0.000 1.283 269 W CA 3.369 60.535 57.345 -0.299 0.000 1.252 269 W CB -1.434 27.890 29.460 -0.227 0.000 1.153 269 W HN 0.429 nan 8.180 nan 0.000 0.467 270 A N -0.139 122.659 122.820 -0.038 0.000 1.913 270 A HA -0.383 3.938 4.320 0.001 0.000 0.236 270 A C 1.912 179.315 177.584 -0.301 0.000 1.760 270 A CA 2.868 54.784 52.037 -0.203 0.000 0.740 270 A CB -1.179 17.766 19.000 -0.091 0.000 0.847 270 A HN 0.467 nan 8.150 nan 0.000 0.508 271 E N -1.009 119.053 120.200 -0.231 0.000 2.122 271 E HA 0.026 4.377 4.350 0.001 0.000 0.190 271 E C 2.142 178.572 176.600 -0.283 0.000 0.977 271 E CA 0.435 56.706 56.400 -0.215 0.000 0.820 271 E CB -0.352 29.268 29.700 -0.134 0.000 0.770 271 E HN 0.671 nan 8.360 nan 0.000 0.462 272 L N 0.922 121.912 121.223 -0.388 0.000 1.989 272 L HA -0.216 4.124 4.340 0.001 0.000 0.211 272 L C 2.827 179.224 176.870 -0.790 0.000 1.071 272 L CA 1.427 55.906 54.840 -0.602 0.000 0.749 272 L CB -0.256 41.417 42.059 -0.643 0.000 0.890 272 L HN 0.105 nan 8.230 nan 0.000 0.431 273 R N 0.002 119.977 120.500 -0.874 0.000 2.094 273 R HA -0.262 4.079 4.340 0.001 0.000 0.239 273 R C 2.164 178.203 176.300 -0.435 0.000 1.137 273 R CA 2.143 57.747 56.100 -0.827 0.000 0.943 273 R CB -0.425 29.092 30.300 -1.305 0.000 0.850 273 R HN 0.422 nan 8.270 nan 0.000 0.433 274 N N 0.151 118.623 118.700 -0.381 0.000 2.166 274 N HA -0.235 4.506 4.740 0.001 0.000 0.186 274 N C 1.822 177.248 175.510 -0.139 0.000 1.019 274 N CA 1.422 54.336 53.050 -0.227 0.000 0.856 274 N CB -0.353 38.014 38.487 -0.201 0.000 0.993 274 N HN 0.442 nan 8.380 nan 0.000 0.426 275 H N 0.044 118.957 119.070 -0.262 0.000 2.357 275 H HA -0.088 4.469 4.556 0.001 0.000 0.301 275 H C 1.551 176.823 175.328 -0.093 0.000 1.082 275 H CA 1.288 57.223 56.048 -0.188 0.000 1.342 275 H CB -0.580 29.055 29.762 -0.211 0.000 1.389 275 H HN 0.335 nan 8.280 nan 0.000 0.511 276 Y N 0.779 121.154 120.300 0.124 0.000 2.026 276 Y HA -0.314 4.237 4.550 0.001 0.000 0.253 276 Y C 3.129 178.975 175.900 -0.090 0.000 1.098 276 Y CA 0.796 58.924 58.100 0.047 0.000 1.074 276 Y CB -0.642 37.823 38.460 0.008 0.000 0.971 276 Y HN 0.314 nan 8.280 nan 0.000 0.482 277 A N 0.211 123.094 122.820 0.104 0.000 1.923 277 A HA -0.348 3.973 4.320 0.001 0.000 0.222 277 A C 2.130 179.676 177.584 -0.063 0.000 1.258 277 A CA 2.974 55.008 52.037 -0.004 0.000 0.670 277 A CB -1.641 17.336 19.000 -0.039 0.000 0.834 277 A HN 0.580 nan 8.150 nan 0.000 0.470 278 T N -0.531 113.958 114.554 -0.109 0.000 2.737 278 T HA -0.036 4.314 4.350 0.001 0.000 0.269 278 T C 0.759 175.341 174.700 -0.197 0.000 1.040 278 T CA 1.524 63.530 62.100 -0.157 0.000 1.142 278 T CB -0.207 68.543 68.868 -0.198 0.000 0.861 278 T HN 0.392 nan 8.240 nan 0.000 0.456 279 S N -0.473 115.050 115.700 -0.296 0.000 2.659 279 S HA 0.543 5.014 4.470 0.001 0.000 0.312 279 S C 1.232 175.679 174.600 -0.255 0.000 1.114 279 S CA -0.470 57.518 58.200 -0.353 0.000 1.063 279 S CB 1.495 64.228 63.200 -0.779 0.000 0.996 279 S HN 0.506 nan 8.310 nan 0.000 0.478 280 G N 3.804 112.544 108.800 -0.100 0.000 3.268 280 G HA2 -0.337 3.624 3.960 0.001 0.000 0.287 280 G HA3 -0.337 3.624 3.960 0.001 0.000 0.287 280 G C 0.273 175.146 174.900 -0.043 0.000 1.044 280 G CA 0.921 46.005 45.100 -0.028 0.000 0.970 280 G HN 0.889 nan 8.290 nan 0.000 1.131 281 L N 0.134 121.339 121.223 -0.031 0.000 4.053 281 L HA -0.184 4.157 4.340 0.001 0.000 0.479 281 L C 1.391 178.185 176.870 -0.127 0.000 0.886 281 L CA 1.091 55.898 54.840 -0.056 0.000 0.766 281 L CB -0.474 41.557 42.059 -0.046 0.000 1.153 281 L HN 0.540 nan 8.230 nan 0.000 0.861 282 K N 0.586 120.932 120.400 -0.091 0.000 2.402 282 K HA 0.079 4.400 4.320 0.001 0.000 0.204 282 K C 1.034 177.578 176.600 -0.094 0.000 1.056 282 K CA -0.049 56.180 56.287 -0.097 0.000 1.069 282 K CB 0.851 33.328 32.500 -0.038 0.000 0.888 282 K HN 0.579 nan 8.250 nan 0.000 0.546 283 S N -0.208 115.446 115.700 -0.076 0.000 2.525 283 S HA -0.102 4.369 4.470 0.001 0.000 0.282 283 S C 1.076 175.645 174.600 -0.051 0.000 1.324 283 S CA 0.688 58.871 58.200 -0.029 0.000 1.025 283 S CB 0.567 63.795 63.200 0.046 0.000 0.820 283 S HN 0.423 nan 8.310 nan 0.000 0.514 284 G N 1.756 110.522 108.800 -0.057 0.000 3.383 284 G HA2 0.200 4.161 3.960 0.001 0.000 0.251 284 G HA3 0.200 4.161 3.960 0.001 0.000 0.251 284 G C 0.404 175.210 174.900 -0.157 0.000 1.203 284 G CA -0.153 44.900 45.100 -0.078 0.000 0.852 284 G HN 0.829 nan 8.290 nan 0.000 0.531 285 Y N 0.012 120.287 120.300 -0.042 0.000 2.442 285 Y HA 0.182 4.733 4.550 0.001 0.000 0.250 285 Y C 0.868 176.686 175.900 -0.136 0.000 1.113 285 Y CA -0.766 57.245 58.100 -0.149 0.000 1.273 285 Y CB 0.550 38.936 38.460 -0.124 0.000 1.138 285 Y HN 0.103 nan 8.280 nan 0.000 0.522 286 N N 0.883 119.593 118.700 0.016 0.000 2.467 286 N HA 0.101 4.842 4.740 0.001 0.000 0.262 286 N C -0.418 175.181 175.510 0.148 0.000 1.234 286 N CA -0.254 52.803 53.050 0.011 0.000 0.952 286 N CB 0.921 39.165 38.487 -0.404 0.000 1.158 286 N HN -0.056 nan 8.380 nan 0.000 0.463 287 I N 0.593 121.340 120.570 0.295 0.000 3.003 287 I HA -0.009 4.162 4.170 0.001 0.000 0.294 287 I C 1.673 177.939 176.117 0.247 0.000 1.237 287 I CA 0.681 62.117 61.300 0.228 0.000 1.417 287 I CB -0.460 37.633 38.000 0.157 0.000 1.340 287 I HN 0.772 nan 8.210 nan 0.000 0.594 288 G N 3.844 112.717 108.800 0.123 0.000 2.390 288 G HA2 -0.272 3.688 3.960 0.001 0.000 0.299 288 G HA3 -0.272 3.688 3.960 0.001 0.000 0.299 288 G C 0.388 175.377 174.900 0.149 0.000 1.002 288 G CA 0.535 45.711 45.100 0.125 0.000 0.979 288 G HN 0.793 nan 8.290 nan 0.000 0.513 289 S N -0.812 114.959 115.700 0.117 0.000 2.545 289 S HA 0.517 4.988 4.470 0.001 0.000 0.275 289 S C 2.117 176.757 174.600 0.066 0.000 1.299 289 S CA 0.599 58.850 58.200 0.086 0.000 1.048 289 S CB 0.614 63.852 63.200 0.063 0.000 0.938 289 S HN 0.820 nan 8.310 nan 0.000 0.496 290 T N 2.418 116.997 114.554 0.042 0.000 2.684 290 T HA -0.098 4.253 4.350 0.001 0.000 0.267 290 T C 0.233 174.968 174.700 0.059 0.000 1.036 290 T CA 1.094 63.203 62.100 0.016 0.000 1.148 290 T CB -0.490 68.375 68.868 -0.004 0.000 0.863 290 T HN 0.613 nan 8.240 nan 0.000 0.436 291 D N 1.519 121.962 120.400 0.071 0.000 2.255 291 D HA 0.480 5.121 4.640 0.001 0.000 0.249 291 D C 0.998 177.364 176.300 0.110 0.000 1.078 291 D CA -0.148 53.912 54.000 0.100 0.000 0.896 291 D CB 1.405 42.251 40.800 0.078 0.000 1.194 291 D HN 0.325 nan 8.370 nan 0.000 0.429 292 G N 0.423 109.309 108.800 0.143 0.000 2.711 292 G HA2 0.212 4.173 3.960 0.001 0.000 0.186 292 G HA3 0.212 4.173 3.960 0.001 0.000 0.186 292 G C 0.257 175.225 174.900 0.114 0.000 1.635 292 G CA -0.004 45.191 45.100 0.158 0.000 1.065 292 G HN 0.613 nan 8.290 nan 0.000 0.545 293 F N -2.544 117.285 119.950 -0.202 0.000 3.031 293 F HA 0.495 5.023 4.527 0.001 0.000 0.365 293 F C -0.029 175.523 175.800 -0.414 0.000 1.128 293 F CA -0.730 57.009 58.000 -0.435 0.000 1.068 293 F CB 0.134 38.664 39.000 -0.783 0.000 1.280 293 F HN -0.041 nan 8.300 nan 0.000 0.529 294 L N 5.466 126.091 121.223 -0.995 0.000 2.313 294 L HA 0.394 4.735 4.340 0.001 0.000 0.282 294 L C -1.691 174.986 176.870 -0.322 0.000 1.092 294 L CA -1.851 52.513 54.840 -0.794 0.000 0.831 294 L CB 0.602 42.312 42.059 -0.582 0.000 1.159 294 L HN -0.068 nan 8.230 nan 0.000 0.442 295 P HA 0.029 nan 4.420 nan 0.000 0.274 295 P C -0.386 176.852 177.300 -0.103 0.000 1.264 295 P CA -0.395 62.671 63.100 -0.058 0.000 0.795 295 P CB 0.506 32.231 31.700 0.043 0.000 1.064 296 V N -1.310 118.544 119.914 -0.101 0.000 2.788 296 V HA -0.045 4.075 4.120 0.001 0.000 0.307 296 V C 1.632 177.644 176.094 -0.136 0.000 1.069 296 V CA 0.097 62.285 62.300 -0.187 0.000 1.173 296 V CB -0.835 30.817 31.823 -0.284 0.000 0.925 296 V HN 0.581 nan 8.190 nan 0.000 0.492 297 I N 0.991 121.495 120.570 -0.109 0.000 3.749 297 I HA 0.657 4.828 4.170 0.001 0.000 0.314 297 I C 0.731 176.829 176.117 -0.032 0.000 1.267 297 I CA 0.675 61.946 61.300 -0.049 0.000 1.169 297 I CB -0.611 37.380 38.000 -0.014 0.000 1.009 297 I HN 1.128 nan 8.210 nan 0.000 0.444 298 G N 1.817 110.570 108.800 -0.078 0.000 2.350 298 G HA2 0.072 4.033 3.960 0.001 0.000 0.282 298 G HA3 0.072 4.033 3.960 0.001 0.000 0.282 298 G C -3.158 171.687 174.900 -0.091 0.000 1.314 298 G CA -0.607 44.460 45.100 -0.056 0.000 0.915 298 G HN 0.036 nan 8.290 nan 0.000 0.499 299 P HA 0.379 nan 4.420 nan 0.000 0.270 299 P C 0.268 177.532 177.300 -0.060 0.000 1.242 299 P CA 0.103 63.168 63.100 -0.057 0.000 0.768 299 P CB 0.910 32.595 31.700 -0.025 0.000 0.820 300 V N 5.449 125.295 119.914 -0.112 0.000 2.555 300 V HA 0.043 4.164 4.120 0.001 0.000 0.286 300 V C 1.927 178.035 176.094 0.023 0.000 1.044 300 V CA 0.046 62.289 62.300 -0.094 0.000 1.026 300 V CB 0.442 32.150 31.823 -0.193 0.000 0.981 300 V HN 0.600 nan 8.190 nan 0.000 0.480 301 I N 0.284 120.929 120.570 0.125 0.000 4.187 301 I HA 0.490 4.660 4.170 0.001 0.000 0.326 301 I C 0.236 176.529 176.117 0.293 0.000 1.302 301 I CA 0.071 61.469 61.300 0.163 0.000 1.196 301 I CB 0.576 38.669 38.000 0.155 0.000 1.095 301 I HN 0.618 nan 8.210 nan 0.000 0.411 302 W N 1.620 122.985 121.300 0.109 0.000 3.296 302 W HA 0.601 5.262 4.660 0.001 0.000 0.314 302 W C -1.136 175.500 176.519 0.194 0.000 1.238 302 W CA -0.356 57.071 57.345 0.136 0.000 1.193 302 W CB 1.440 30.996 29.460 0.160 0.000 1.383 302 W HN -0.002 nan 8.180 nan 0.000 0.545 303 E N 1.563 121.252 120.200 -0.851 0.000 2.446 303 E HA 0.686 5.037 4.350 0.001 0.000 0.269 303 E C -1.676 174.150 176.600 -1.290 0.000 0.977 303 E CA -0.901 55.099 56.400 -0.667 0.000 0.854 303 E CB 2.237 31.776 29.700 -0.269 0.000 1.545 303 E HN 0.150 nan 8.360 nan 0.000 0.448 304 S N 0.075 115.417 115.700 -0.597 0.000 2.677 304 S HA 0.247 4.718 4.470 0.001 0.000 0.283 304 S C -1.450 173.055 174.600 -0.158 0.000 1.159 304 S CA -0.528 57.415 58.200 -0.428 0.000 1.001 304 S CB 1.095 64.148 63.200 -0.244 0.000 1.032 304 S HN 0.451 nan 8.310 nan 0.000 0.487 305 E N 2.956 123.082 120.200 -0.122 0.000 2.452 305 E HA 0.350 4.701 4.350 0.001 0.000 0.293 305 E C 0.736 177.336 176.600 -0.001 0.000 1.535 305 E CA -0.267 56.104 56.400 -0.048 0.000 1.816 305 E CB 0.412 30.083 29.700 -0.049 0.000 1.494 305 E HN 0.601 nan 8.360 nan 0.000 0.464 306 G N -0.133 108.686 108.800 0.030 0.000 3.107 306 G HA2 0.201 4.162 3.960 0.001 0.000 0.232 306 G HA3 0.201 4.162 3.960 0.001 0.000 0.232 306 G C 0.346 175.305 174.900 0.098 0.000 1.339 306 G CA -0.664 44.482 45.100 0.077 0.000 1.033 306 G HN 0.239 nan 8.290 nan 0.000 0.567 307 L N -0.952 120.349 121.223 0.129 0.000 2.083 307 L HA 0.286 4.626 4.340 0.001 0.000 0.209 307 L C 1.080 177.926 176.870 -0.041 0.000 1.083 307 L CA 1.144 56.005 54.840 0.036 0.000 0.752 307 L CB -0.685 41.371 42.059 -0.004 0.000 0.899 307 L HN 0.347 nan 8.230 nan 0.000 0.433 308 F N -0.757 119.213 119.950 0.034 0.000 2.213 308 F HA 0.369 4.897 4.527 0.001 0.000 0.297 308 F C 0.992 176.812 175.800 0.032 0.000 1.094 308 F CA -0.340 57.680 58.000 0.032 0.000 1.121 308 F CB 0.053 39.078 39.000 0.043 0.000 1.622 308 F HN -0.317 nan 8.300 nan 0.000 0.521 309 R N 0.841 121.520 120.500 0.298 0.000 2.472 309 R HA 0.685 5.026 4.340 0.001 0.000 0.294 309 R C -1.861 174.531 176.300 0.153 0.000 1.243 309 R CA -0.267 55.954 56.100 0.201 0.000 1.023 309 R CB 0.840 31.254 30.300 0.189 0.000 1.157 309 R HN 0.706 nan 8.270 nan 0.000 0.530 310 A N 3.457 126.369 122.820 0.154 0.000 2.498 310 A HA 0.779 5.100 4.320 0.001 0.000 0.298 310 A C -1.823 175.931 177.584 0.283 0.000 1.075 310 A CA -0.624 51.487 52.037 0.124 0.000 0.714 310 A CB 1.393 20.432 19.000 0.065 0.000 1.299 310 A HN 0.687 nan 8.150 nan 0.000 0.407 311 Y N -1.448 119.148 120.300 0.493 0.000 2.750 311 Y HA 0.794 5.345 4.550 0.001 0.000 0.335 311 Y C -1.602 174.651 175.900 0.588 0.000 1.252 311 Y CA -1.827 56.560 58.100 0.479 0.000 1.064 311 Y CB 0.536 39.151 38.460 0.257 0.000 1.321 311 Y HN 0.590 nan 8.280 nan 0.000 0.451 312 I N 1.501 122.595 120.570 0.873 0.000 2.608 312 I HA 0.674 4.845 4.170 0.001 0.000 0.295 312 I C -0.590 175.777 176.117 0.416 0.000 1.049 312 I CA -0.857 60.762 61.300 0.531 0.000 1.063 312 I CB 2.203 40.439 38.000 0.392 0.000 1.248 312 I HN 0.680 nan 8.210 nan 0.000 0.424 313 S N 2.126 117.993 115.700 0.278 0.000 2.588 313 S HA 0.564 5.035 4.470 0.001 0.000 0.275 313 S C -0.838 173.825 174.600 0.104 0.000 1.130 313 S CA -0.540 57.755 58.200 0.159 0.000 0.855 313 S CB 1.883 65.164 63.200 0.135 0.000 1.116 313 S HN 0.665 nan 8.310 nan 0.000 0.472 314 S N 1.914 117.654 115.700 0.067 0.000 2.420 314 S HA 0.623 5.094 4.470 0.001 0.000 0.313 314 S C -0.248 174.381 174.600 0.049 0.000 1.079 314 S CA -0.630 57.603 58.200 0.054 0.000 1.104 314 S CB 0.163 63.382 63.200 0.032 0.000 0.969 314 S HN 0.690 nan 8.310 nan 0.000 0.471 315 V N 1.730 121.687 119.914 0.072 0.000 2.539 315 V HA 0.788 4.909 4.120 0.001 0.000 0.292 315 V C 0.393 176.534 176.094 0.079 0.000 1.045 315 V CA -0.776 61.564 62.300 0.068 0.000 0.945 315 V CB 1.013 32.877 31.823 0.069 0.000 0.993 315 V HN 0.941 nan 8.190 nan 0.000 0.464 316 T N -0.070 114.515 114.554 0.052 0.000 2.809 316 T HA 0.444 4.795 4.350 0.001 0.000 0.296 316 T C -0.112 174.620 174.700 0.052 0.000 1.015 316 T CA -0.721 61.404 62.100 0.040 0.000 0.954 316 T CB 1.064 69.937 68.868 0.009 0.000 0.950 316 T HN 0.819 nan 8.240 nan 0.000 0.450 317 D N 3.836 124.288 120.400 0.086 0.000 1.944 317 D HA 0.111 4.752 4.640 0.001 0.000 0.262 317 D C 1.550 177.868 176.300 0.031 0.000 1.127 317 D CA 0.113 54.152 54.000 0.065 0.000 0.957 317 D CB -0.655 40.202 40.800 0.094 0.000 1.227 317 D HN 0.673 nan 8.370 nan 0.000 0.483 318 G N -1.587 107.228 108.800 0.025 0.000 3.518 318 G HA2 0.195 4.156 3.960 0.001 0.000 0.273 318 G HA3 0.195 4.156 3.960 0.001 0.000 0.273 318 G C -0.230 174.675 174.900 0.009 0.000 1.199 318 G CA -0.209 44.898 45.100 0.012 0.000 0.899 318 G HN 0.230 nan 8.290 nan 0.000 0.533 319 D N -0.816 119.590 120.400 0.010 0.000 2.760 319 D HA 0.222 4.863 4.640 0.001 0.000 0.285 319 D C 1.671 177.967 176.300 -0.006 0.000 1.178 319 D CA 1.001 55.001 54.000 0.001 0.000 1.031 319 D CB 0.280 41.081 40.800 0.002 0.000 1.544 319 D HN 0.282 nan 8.370 nan 0.000 0.468 320 G N 0.587 109.381 108.800 -0.010 0.000 2.240 320 G HA2 -0.139 3.822 3.960 0.001 0.000 0.181 320 G HA3 -0.139 3.822 3.960 0.001 0.000 0.181 320 G C -0.119 174.754 174.900 -0.044 0.000 1.028 320 G CA -0.482 44.606 45.100 -0.021 0.000 0.760 320 G HN 0.166 nan 8.290 nan 0.000 0.508 321 K N 1.677 122.041 120.400 -0.061 0.000 2.262 321 K HA 0.601 4.922 4.320 0.001 0.000 0.282 321 K C 0.356 176.809 176.600 -0.244 0.000 1.066 321 K CA -0.304 55.896 56.287 -0.144 0.000 0.901 321 K CB 0.563 32.974 32.500 -0.149 0.000 1.089 321 K HN 0.067 nan 8.250 nan 0.000 0.476 322 S N 2.988 118.544 115.700 -0.241 0.000 2.576 322 S HA 0.177 4.648 4.470 0.001 0.000 0.276 322 S C -0.667 173.686 174.600 -0.411 0.000 1.339 322 S CA -0.291 57.780 58.200 -0.214 0.000 1.039 322 S CB 0.287 63.421 63.200 -0.109 0.000 0.902 322 S HN 0.512 nan 8.310 nan 0.000 0.516 323 H N 1.370 120.435 119.070 -0.008 0.000 2.865 323 H HA 0.295 4.852 4.556 0.001 0.000 0.362 323 H C -0.896 174.427 175.328 -0.008 0.000 1.114 323 H CA -0.698 55.343 56.048 -0.013 0.000 1.208 323 H CB 1.356 31.109 29.762 -0.015 0.000 1.727 323 H HN 0.480 nan 8.280 nan 0.000 0.534 324 K N 2.220 122.691 120.400 0.117 0.000 2.263 324 K HA 0.373 4.693 4.320 0.001 0.000 0.282 324 K C -0.373 176.237 176.600 0.017 0.000 1.089 324 K CA -0.411 55.908 56.287 0.054 0.000 0.907 324 K CB 1.653 34.167 32.500 0.023 0.000 1.148 324 K HN 0.077 nan 8.250 nan 0.000 0.470 325 V N 2.076 122.002 119.914 0.020 0.000 2.547 325 V HA 0.509 4.630 4.120 0.001 0.000 0.299 325 V C 0.137 176.176 176.094 -0.092 0.000 1.040 325 V CA -0.495 61.788 62.300 -0.028 0.000 0.913 325 V CB 1.891 33.727 31.823 0.021 0.000 0.992 325 V HN 0.895 nan 8.190 nan 0.000 0.449 326 G N 3.817 112.450 108.800 -0.278 0.000 2.370 326 G HA2 0.525 4.485 3.960 0.001 0.000 0.317 326 G HA3 0.525 4.485 3.960 0.001 0.000 0.317 326 G C -1.164 173.594 174.900 -0.236 0.000 1.162 326 G CA -0.291 44.454 45.100 -0.592 0.000 0.922 326 G HN 0.437 nan 8.290 nan 0.000 0.454 327 F N 3.284 123.076 119.950 -0.263 0.000 2.377 327 F HA 0.799 5.327 4.527 0.002 0.000 0.328 327 F C -0.308 175.429 175.800 -0.106 0.000 1.094 327 F CA -1.594 56.223 58.000 -0.305 0.000 1.093 327 F CB 1.497 39.962 39.000 -0.891 0.000 1.214 327 F HN 0.325 nan 8.300 nan 0.000 0.518 328 L N 6.519 127.154 121.223 -0.980 0.000 2.847 328 L HA 0.283 4.624 4.340 0.001 0.000 0.261 328 L C -1.814 174.703 176.870 -0.589 0.000 0.926 328 L CA -0.451 54.062 54.840 -0.546 0.000 1.010 328 L CB 1.553 43.543 42.059 -0.114 0.000 1.538 328 L HN 0.828 nan 8.230 nan 0.000 0.465 329 R N 5.308 125.573 120.500 -0.391 0.000 2.320 329 R HA 0.516 4.857 4.340 0.001 0.000 0.319 329 R C -1.141 175.198 176.300 0.066 0.000 0.969 329 R CA -0.658 55.340 56.100 -0.169 0.000 0.857 329 R CB 0.974 31.196 30.300 -0.130 0.000 1.160 329 R HN 0.568 nan 8.270 nan 0.000 0.491 330 I N 8.174 128.762 120.570 0.030 0.000 2.471 330 I HA 0.142 4.313 4.170 0.001 0.000 0.286 330 I C -1.380 174.708 176.117 -0.049 0.000 1.079 330 I CA -1.792 59.492 61.300 -0.026 0.000 1.398 330 I CB 1.330 39.126 38.000 -0.340 0.000 1.403 330 I HN 0.551 nan 8.210 nan 0.000 0.530 331 P HA 0.065 nan 4.420 nan 0.000 0.210 331 P C 0.352 177.635 177.300 -0.028 0.000 1.112 331 P CA 0.436 63.526 63.100 -0.018 0.000 0.927 331 P CB 0.798 32.494 31.700 -0.008 0.000 0.796 332 T N -2.021 112.485 114.554 -0.080 0.000 2.906 332 T HA 0.461 4.812 4.350 0.001 0.000 0.295 332 T C -0.478 174.180 174.700 -0.070 0.000 1.061 332 T CA -0.380 61.699 62.100 -0.035 0.000 1.000 332 T CB 0.991 69.859 68.868 0.000 0.000 1.103 332 T HN -0.237 nan 8.240 nan 0.000 0.486 333 Y N 1.701 122.015 120.300 0.023 0.000 2.457 333 Y HA 0.253 4.804 4.550 0.001 0.000 0.263 333 Y C 1.704 177.668 175.900 0.107 0.000 1.164 333 Y CA -0.210 57.988 58.100 0.164 0.000 1.274 333 Y CB 0.445 38.982 38.460 0.129 0.000 1.097 333 Y HN 0.606 nan 8.280 nan 0.000 0.523 334 S N 1.301 117.064 115.700 0.106 0.000 2.592 334 S HA 0.025 4.496 4.470 0.001 0.000 0.305 334 S C 1.110 175.613 174.600 -0.163 0.000 1.118 334 S CA -1.043 57.137 58.200 -0.033 0.000 1.075 334 S CB -0.652 62.581 63.200 0.056 0.000 1.107 334 S HN 0.511 nan 8.310 nan 0.000 0.503 335 W N 2.977 124.044 121.300 -0.387 0.000 2.335 335 W HA -0.215 4.446 4.660 0.001 0.000 0.311 335 W C 1.225 177.508 176.519 -0.394 0.000 1.213 335 W CA 1.277 58.292 57.345 -0.549 0.000 1.274 335 W CB -1.462 27.448 29.460 -0.916 0.000 1.148 335 W HN 0.593 nan 8.180 nan 0.000 0.498 336 Q N 0.688 120.019 119.800 -0.782 0.000 2.242 336 Q HA -0.210 4.131 4.340 0.001 0.000 0.211 336 Q C 1.420 177.414 176.000 -0.010 0.000 0.992 336 Q CA 2.154 57.746 55.803 -0.351 0.000 0.889 336 Q CB -0.444 27.969 28.738 -0.542 0.000 0.913 336 Q HN 0.323 nan 8.270 nan 0.000 0.422 337 D N -0.284 120.058 120.400 -0.097 0.000 2.352 337 D HA 0.020 4.661 4.640 0.001 0.000 0.232 337 D C 0.196 176.520 176.300 0.040 0.000 1.055 337 D CA 0.346 54.346 54.000 0.001 0.000 0.891 337 D CB -0.013 40.816 40.800 0.047 0.000 0.897 337 D HN 0.306 nan 8.370 nan 0.000 0.529 338 M N 1.286 120.882 119.600 -0.006 0.000 2.246 338 M HA -0.025 4.455 4.480 0.001 0.000 0.350 338 M C 0.623 176.941 176.300 0.030 0.000 1.406 338 M CA 0.231 55.505 55.300 -0.043 0.000 1.089 338 M CB 0.572 33.050 32.600 -0.204 0.000 1.782 338 M HN -0.094 nan 8.290 nan 0.000 0.457 339 E N 4.186 124.396 120.200 0.017 0.000 2.585 339 E HA -0.159 4.192 4.350 0.001 0.000 0.252 339 E C -0.493 176.127 176.600 0.034 0.000 0.981 339 E CA 0.479 56.896 56.400 0.030 0.000 0.943 339 E CB 0.222 29.936 29.700 0.023 0.000 0.923 339 E HN 0.670 nan 8.360 nan 0.000 0.486 340 D N 2.525 122.957 120.400 0.054 0.000 3.102 340 D HA -0.224 4.417 4.640 0.001 0.000 0.210 340 D C -0.633 175.742 176.300 0.124 0.000 1.077 340 D CA 0.483 54.518 54.000 0.058 0.000 0.969 340 D CB -1.600 39.222 40.800 0.037 0.000 1.084 340 D HN 0.332 nan 8.370 nan 0.000 0.432 341 F N 2.564 122.491 119.950 -0.038 0.000 2.438 341 F HA 0.327 4.855 4.527 0.001 0.000 0.356 341 F C 0.287 176.075 175.800 -0.020 0.000 1.099 341 F CA -0.888 57.096 58.000 -0.028 0.000 1.185 341 F CB 0.731 39.721 39.000 -0.018 0.000 1.115 341 F HN -0.238 nan 8.300 nan 0.000 0.526 342 D N 9.662 129.846 120.400 -0.360 0.000 2.454 342 D HA 0.216 4.857 4.640 0.001 0.000 0.225 342 D C -1.570 174.281 176.300 -0.749 0.000 1.081 342 D CA -2.020 51.693 54.000 -0.478 0.000 0.864 342 D CB 1.628 42.325 40.800 -0.171 0.000 1.040 342 D HN 0.287 nan 8.370 nan 0.000 0.517 343 P HA -0.324 nan 4.420 nan 0.000 0.209 343 P C 1.466 178.633 177.300 -0.221 0.000 1.080 343 P CA 1.937 64.685 63.100 -0.587 0.000 0.971 343 P CB -0.320 31.174 31.700 -0.344 0.000 0.768 344 S N -0.151 115.462 115.700 -0.146 0.000 2.392 344 S HA -0.122 4.349 4.470 0.001 0.000 0.232 344 S C 1.644 176.220 174.600 -0.039 0.000 1.041 344 S CA 1.290 59.452 58.200 -0.063 0.000 1.026 344 S CB -1.921 61.245 63.200 -0.056 0.000 0.845 344 S HN 0.501 nan 8.310 nan 0.000 0.465 345 G N 2.813 111.579 108.800 -0.056 0.000 2.527 345 G HA2 0.406 4.367 3.960 0.001 0.000 0.279 345 G HA3 0.406 4.367 3.960 0.001 0.000 0.279 345 G C -2.413 172.497 174.900 0.016 0.000 1.374 345 G CA -0.821 44.271 45.100 -0.014 0.000 1.053 345 G HN 0.468 nan 8.290 nan 0.000 0.539 346 P HA 0.234 nan 4.420 nan 0.000 0.275 346 P C -2.498 174.757 177.300 -0.074 0.000 1.227 346 P CA -1.106 61.965 63.100 -0.048 0.000 0.781 346 P CB 0.868 32.540 31.700 -0.047 0.000 0.906 347 P HA 0.092 nan 4.420 nan 0.000 0.268 347 P C -1.744 175.131 177.300 -0.709 0.000 1.204 347 P CA -1.429 61.179 63.100 -0.820 0.000 0.768 347 P CB -0.186 30.288 31.700 -2.043 0.000 0.842 348 P HA -0.141 nan 4.420 nan 0.000 0.225 348 P C 0.769 178.184 177.300 0.192 0.000 1.141 348 P CA 1.361 64.347 63.100 -0.189 0.000 0.774 348 P CB -0.425 31.057 31.700 -0.364 0.000 0.760 349 W N -0.211 121.128 121.300 0.064 0.000 2.996 349 W HA 0.366 5.027 4.660 0.001 0.000 0.270 349 W C 1.721 178.330 176.519 0.150 0.000 1.280 349 W CA 0.054 57.506 57.345 0.178 0.000 1.549 349 W CB -0.966 28.555 29.460 0.103 0.000 1.079 349 W HN -0.095 nan 8.180 nan 0.000 0.629 350 E N 0.884 121.037 120.200 -0.078 0.000 2.170 350 E HA -0.165 4.186 4.350 0.001 0.000 0.191 350 E C 1.971 178.607 176.600 0.059 0.000 0.981 350 E CA 1.049 57.470 56.400 0.035 0.000 0.830 350 E CB -0.076 29.537 29.700 -0.145 0.000 0.775 350 E HN 0.421 nan 8.360 nan 0.000 0.470 351 E N -0.519 119.723 120.200 0.068 0.000 2.358 351 E HA -0.129 4.222 4.350 0.001 0.000 0.195 351 E C 1.544 178.176 176.600 0.053 0.000 1.010 351 E CA 0.163 56.616 56.400 0.088 0.000 0.856 351 E CB 0.030 29.827 29.700 0.161 0.000 0.795 351 E HN 0.235 nan 8.360 nan 0.000 0.504 352 F N 1.317 121.224 119.950 -0.073 0.000 2.113 352 F HA -0.036 4.492 4.527 0.001 0.000 0.297 352 F C 2.106 177.753 175.800 -0.256 0.000 1.103 352 F CA 1.449 59.235 58.000 -0.357 0.000 1.248 352 F CB -0.632 38.227 39.000 -0.235 0.000 0.999 352 F HN 0.033 nan 8.300 nan 0.000 0.475 353 A N 0.958 123.732 122.820 -0.076 0.000 1.927 353 A HA -0.245 4.076 4.320 0.001 0.000 0.220 353 A C 2.298 179.719 177.584 -0.271 0.000 1.185 353 A CA 1.998 53.926 52.037 -0.181 0.000 0.639 353 A CB -0.669 18.303 19.000 -0.048 0.000 0.820 353 A HN 0.356 nan 8.150 nan 0.000 0.451 354 K N -0.192 120.088 120.400 -0.201 0.000 2.002 354 K HA -0.084 4.237 4.320 0.001 0.000 0.209 354 K C 1.799 178.219 176.600 -0.300 0.000 1.048 354 K CA 1.265 57.442 56.287 -0.183 0.000 0.930 354 K CB -0.726 31.722 32.500 -0.086 0.000 0.714 354 K HN 0.499 nan 8.250 nan 0.000 0.438 355 I N 1.182 121.504 120.570 -0.414 0.000 2.530 355 I HA -0.212 3.959 4.170 0.001 0.000 0.257 355 I C 2.242 177.776 176.117 -0.971 0.000 1.179 355 I CA 1.148 62.064 61.300 -0.639 0.000 1.440 355 I CB -0.844 36.734 38.000 -0.702 0.000 1.087 355 I HN 0.110 nan 8.210 nan 0.000 0.440 356 I N 0.019 120.155 120.570 -0.722 0.000 2.494 356 I HA -0.182 3.989 4.170 0.001 0.000 0.250 356 I C 2.382 178.346 176.117 -0.254 0.000 1.112 356 I CA 0.522 61.512 61.300 -0.518 0.000 1.438 356 I CB -0.110 37.597 38.000 -0.487 0.000 1.111 356 I HN 0.189 nan 8.210 nan 0.000 0.431 357 Q N 0.068 119.720 119.800 -0.247 0.000 2.368 357 Q HA -0.148 4.193 4.340 0.001 0.000 0.210 357 Q C 1.962 177.871 176.000 -0.151 0.000 0.982 357 Q CA 1.055 56.764 55.803 -0.157 0.000 0.884 357 Q CB 0.058 28.707 28.738 -0.149 0.000 0.933 357 Q HN 0.362 nan 8.270 nan 0.000 0.460 358 V N -0.552 119.214 119.914 -0.247 0.000 3.608 358 V HA -0.013 4.108 4.120 0.001 0.000 0.269 358 V C 1.144 177.179 176.094 -0.099 0.000 1.245 358 V CA 0.906 63.023 62.300 -0.306 0.000 1.138 358 V CB -0.209 31.281 31.823 -0.556 0.000 0.841 358 V HN 0.363 nan 8.190 nan 0.000 0.451 359 F N -1.106 118.722 119.950 -0.203 0.000 2.602 359 F HA 0.002 4.530 4.527 0.001 0.000 0.284 359 F C 2.463 178.294 175.800 0.052 0.000 1.111 359 F CA 0.117 58.073 58.000 -0.073 0.000 1.405 359 F CB 0.252 39.214 39.000 -0.064 0.000 1.121 359 F HN 0.047 nan 8.300 nan 0.000 0.603 360 S N -0.069 115.764 115.700 0.221 0.000 2.420 360 S HA -0.177 4.294 4.470 0.001 0.000 0.237 360 S C 1.792 176.381 174.600 -0.019 0.000 1.023 360 S CA 1.712 59.956 58.200 0.074 0.000 0.991 360 S CB -0.184 63.021 63.200 0.008 0.000 0.792 360 S HN 0.213 nan 8.310 nan 0.000 0.488 361 S N 0.137 115.826 115.700 -0.018 0.000 2.619 361 S HA 0.221 4.692 4.470 0.001 0.000 0.238 361 S C 0.674 175.244 174.600 -0.051 0.000 1.068 361 S CA -0.411 57.760 58.200 -0.049 0.000 0.926 361 S CB 0.211 63.375 63.200 -0.059 0.000 0.864 361 S HN 0.390 nan 8.310 nan 0.000 0.493 362 N N 2.080 120.749 118.700 -0.052 0.000 2.546 362 N HA 0.227 4.968 4.740 0.001 0.000 0.286 362 N C -0.742 174.733 175.510 -0.058 0.000 1.259 362 N CA 0.281 53.287 53.050 -0.073 0.000 0.939 362 N CB 1.196 39.590 38.487 -0.155 0.000 1.243 362 N HN 0.156 nan 8.380 nan 0.000 0.511 363 T N -0.962 113.567 114.554 -0.042 0.000 3.003 363 T HA 0.140 4.491 4.350 0.001 0.000 0.354 363 T C 0.028 174.704 174.700 -0.039 0.000 1.651 363 T CA -0.389 61.672 62.100 -0.065 0.000 1.103 363 T CB 1.345 70.096 68.868 -0.194 0.000 1.450 363 T HN 0.068 nan 8.240 nan 0.000 0.484 364 E N 1.091 121.272 120.200 -0.032 0.000 2.201 364 E HA 0.469 4.820 4.350 0.001 0.000 0.193 364 E C 0.626 177.207 176.600 -0.032 0.000 0.957 364 E CA 0.081 56.457 56.400 -0.041 0.000 0.858 364 E CB 0.549 30.242 29.700 -0.011 0.000 0.816 364 E HN 0.630 nan 8.360 nan 0.000 0.475 365 A N 0.913 123.733 122.820 0.001 0.000 2.479 365 A HA 0.688 5.009 4.320 0.001 0.000 0.296 365 A C -1.575 176.029 177.584 0.034 0.000 1.121 365 A CA -0.608 51.456 52.037 0.046 0.000 0.743 365 A CB 1.549 20.530 19.000 -0.031 0.000 1.323 365 A HN 0.130 nan 8.150 nan 0.000 0.415 366 L N 2.001 123.243 121.223 0.032 0.000 2.404 366 L HA 0.574 4.915 4.340 0.001 0.000 0.272 366 L C -1.550 175.279 176.870 -0.070 0.000 0.980 366 L CA -0.555 54.191 54.840 -0.157 0.000 0.836 366 L CB 1.062 42.842 42.059 -0.464 0.000 1.238 366 L HN 0.704 nan 8.230 nan 0.000 0.408 367 I N 5.657 126.210 120.570 -0.028 0.000 2.353 367 I HA 0.367 4.538 4.170 0.001 0.000 0.293 367 I C -0.265 175.862 176.117 0.017 0.000 0.992 367 I CA -0.418 60.920 61.300 0.064 0.000 1.268 367 I CB 1.818 39.940 38.000 0.202 0.000 1.387 367 I HN 0.470 nan 8.210 nan 0.000 0.478 368 I N 5.219 125.808 120.570 0.033 0.000 2.411 368 I HA 0.161 4.332 4.170 0.001 0.000 0.284 368 I C -0.593 175.565 176.117 0.068 0.000 1.012 368 I CA -0.522 60.780 61.300 0.004 0.000 1.119 368 I CB 1.551 39.635 38.000 0.140 0.000 1.261 368 I HN 0.515 nan 8.210 nan 0.000 0.448 369 D N 6.559 126.932 120.400 -0.045 0.000 2.325 369 D HA 0.066 4.707 4.640 0.001 0.000 0.251 369 D C 0.085 176.455 176.300 0.117 0.000 1.196 369 D CA 0.377 54.445 54.000 0.113 0.000 0.866 369 D CB 1.255 42.154 40.800 0.164 0.000 1.101 369 D HN 0.480 nan 8.370 nan 0.000 0.476 370 Q N 3.045 122.963 119.800 0.198 0.000 2.112 370 Q HA 0.071 4.412 4.340 0.001 0.000 0.222 370 Q C -0.439 175.682 176.000 0.201 0.000 0.798 370 Q CA -0.308 55.617 55.803 0.204 0.000 1.060 370 Q CB 0.445 29.371 28.738 0.313 0.000 1.184 370 Q HN 0.649 nan 8.270 nan 0.000 0.475 371 T N -0.948 113.743 114.554 0.229 0.000 2.930 371 T HA 0.170 4.521 4.350 0.001 0.000 0.306 371 T C 0.404 175.212 174.700 0.181 0.000 1.045 371 T CA 0.039 62.280 62.100 0.235 0.000 1.134 371 T CB 0.486 69.587 68.868 0.388 0.000 0.961 371 T HN 0.355 nan 8.240 nan 0.000 0.545 372 N N 0.288 119.046 118.700 0.097 0.000 2.780 372 N HA -0.167 4.573 4.740 0.001 0.000 0.248 372 N C -0.859 174.699 175.510 0.080 0.000 1.102 372 N CA 0.626 53.720 53.050 0.074 0.000 0.697 372 N CB -1.594 36.941 38.487 0.081 0.000 1.028 372 N HN 0.799 nan 8.380 nan 0.000 0.554 373 N N 0.472 119.217 118.700 0.074 0.000 2.473 373 N HA 0.300 5.041 4.740 0.001 0.000 0.291 373 N C -1.492 174.062 175.510 0.073 0.000 1.083 373 N CA -1.711 51.385 53.050 0.076 0.000 0.951 373 N CB 1.586 40.178 38.487 0.175 0.000 1.164 373 N HN -0.030 nan 8.380 nan 0.000 0.480 374 P HA 0.179 nan 4.420 nan 0.000 0.217 374 P C 0.432 177.649 177.300 -0.139 0.000 1.153 374 P CA 0.922 63.827 63.100 -0.326 0.000 0.843 374 P CB 1.040 31.945 31.700 -1.326 0.000 0.794 375 G N -1.786 106.960 108.800 -0.091 0.000 2.291 375 G HA2 0.392 4.353 3.960 0.001 0.000 0.249 375 G HA3 0.392 4.353 3.960 0.001 0.000 0.249 375 G C -0.483 174.449 174.900 0.052 0.000 1.340 375 G CA 0.048 45.123 45.100 -0.042 0.000 1.017 375 G HN 0.546 nan 8.290 nan 0.000 0.470 376 G N -1.427 107.395 108.800 0.038 0.000 2.403 376 G HA2 0.529 4.490 3.960 0.001 0.000 0.223 376 G HA3 0.529 4.490 3.960 0.001 0.000 0.223 376 G C -0.394 174.555 174.900 0.083 0.000 1.287 376 G CA 0.847 46.020 45.100 0.122 0.000 0.982 376 G HN 1.995 nan 8.290 nan 0.000 0.471 377 S N 0.141 115.942 115.700 0.168 0.000 2.439 377 S HA 0.413 4.884 4.470 0.001 0.000 0.282 377 S C 1.807 176.427 174.600 0.034 0.000 1.170 377 S CA 0.157 58.424 58.200 0.111 0.000 1.054 377 S CB 0.972 64.301 63.200 0.215 0.000 0.956 377 S HN 1.219 nan 8.310 nan 0.000 0.490 378 V N 7.183 126.985 119.914 -0.186 0.000 2.317 378 V HA -0.259 3.862 4.120 0.001 0.000 0.251 378 V C 2.217 178.003 176.094 -0.513 0.000 1.065 378 V CA 2.041 64.080 62.300 -0.434 0.000 1.049 378 V CB -0.992 30.453 31.823 -0.631 0.000 0.651 378 V HN 0.848 nan 8.190 nan 0.000 0.450 379 L N -1.506 119.433 121.223 -0.474 0.000 2.141 379 L HA -0.154 4.187 4.340 0.001 0.000 0.209 379 L C 2.521 179.371 176.870 -0.033 0.000 1.094 379 L CA 1.785 56.375 54.840 -0.416 0.000 0.763 379 L CB -0.649 41.122 42.059 -0.479 0.000 0.908 379 L HN 0.427 nan 8.230 nan 0.000 0.437 380 Y N 0.516 120.790 120.300 -0.042 0.000 2.263 380 Y HA -0.206 4.345 4.550 0.001 0.000 0.292 380 Y C 2.334 178.302 175.900 0.114 0.000 1.130 380 Y CA 1.141 59.239 58.100 -0.003 0.000 1.179 380 Y CB -0.011 38.527 38.460 0.129 0.000 0.998 380 Y HN 0.030 nan 8.280 nan 0.000 0.532 381 L N -0.464 120.911 121.223 0.254 0.000 1.976 381 L HA -0.257 4.083 4.340 0.001 0.000 0.209 381 L C 1.969 179.011 176.870 0.288 0.000 1.071 381 L CA 2.200 57.224 54.840 0.306 0.000 0.746 381 L CB -1.554 40.629 42.059 0.207 0.000 0.890 381 L HN 0.242 nan 8.230 nan 0.000 0.432 382 Y N 1.016 121.361 120.300 0.077 0.000 2.139 382 Y HA -0.265 4.286 4.550 0.001 0.000 0.282 382 Y C 2.883 178.942 175.900 0.265 0.000 1.179 382 Y CA 1.385 59.571 58.100 0.143 0.000 1.161 382 Y CB -1.310 37.140 38.460 -0.017 0.000 0.970 382 Y HN 0.384 nan 8.280 nan 0.000 0.511 383 A N -0.125 122.878 122.820 0.305 0.000 1.877 383 A HA -0.158 4.163 4.320 0.001 0.000 0.216 383 A C 2.399 179.978 177.584 -0.008 0.000 1.186 383 A CA 1.707 53.816 52.037 0.120 0.000 0.620 383 A CB -1.059 17.867 19.000 -0.122 0.000 0.822 383 A HN 0.444 nan 8.150 nan 0.000 0.443 384 L N -0.697 120.439 121.223 -0.145 0.000 2.046 384 L HA -0.176 4.165 4.340 0.001 0.000 0.208 384 L C 2.577 179.555 176.870 0.179 0.000 1.077 384 L CA 1.061 55.839 54.840 -0.104 0.000 0.747 384 L CB -0.818 40.911 42.059 -0.550 0.000 0.896 384 L HN 0.368 nan 8.230 nan 0.000 0.432 385 L N -0.460 120.893 121.223 0.216 0.000 2.042 385 L HA -0.246 4.095 4.340 0.001 0.000 0.210 385 L C 2.871 179.827 176.870 0.144 0.000 1.076 385 L CA 1.422 56.402 54.840 0.234 0.000 0.749 385 L CB -0.749 41.424 42.059 0.190 0.000 0.893 385 L HN 0.261 nan 8.230 nan 0.000 0.432 386 S N 0.153 115.911 115.700 0.097 0.000 2.428 386 S HA -0.235 4.235 4.470 0.001 0.000 0.240 386 S C 1.637 176.276 174.600 0.066 0.000 1.036 386 S CA 1.742 59.928 58.200 -0.024 0.000 1.009 386 S CB -0.188 62.837 63.200 -0.291 0.000 0.803 386 S HN 0.458 nan 8.310 nan 0.000 0.486 387 M N -0.129 119.567 119.600 0.160 0.000 2.405 387 M HA 0.351 4.831 4.480 0.001 0.000 0.292 387 M C 0.463 176.854 176.300 0.151 0.000 1.111 387 M CA 0.107 55.511 55.300 0.174 0.000 0.979 387 M CB 0.458 33.177 32.600 0.199 0.000 1.426 387 M HN 0.134 nan 8.290 nan 0.000 0.509 388 L N 0.209 121.534 121.223 0.170 0.000 2.910 388 L HA 0.320 4.661 4.340 0.001 0.000 0.252 388 L C 0.242 177.197 176.870 0.142 0.000 1.195 388 L CA 0.071 55.016 54.840 0.176 0.000 1.003 388 L CB 0.612 42.797 42.059 0.209 0.000 1.328 388 L HN 0.195 nan 8.230 nan 0.000 0.540 389 T N -1.811 112.803 114.554 0.101 0.000 2.957 389 T HA 0.094 4.445 4.350 0.001 0.000 0.336 389 T C -0.134 174.584 174.700 0.031 0.000 1.462 389 T CA -0.549 61.584 62.100 0.054 0.000 1.073 389 T CB 1.529 70.410 68.868 0.020 0.000 1.319 389 T HN 0.294 nan 8.240 nan 0.000 0.485 390 D N 2.782 123.186 120.400 0.007 0.000 2.354 390 D HA 0.053 4.694 4.640 0.001 0.000 0.209 390 D C 0.656 176.952 176.300 -0.006 0.000 1.015 390 D CA -0.172 53.825 54.000 -0.005 0.000 0.867 390 D CB 0.491 41.275 40.800 -0.026 0.000 0.933 390 D HN 0.711 nan 8.370 nan 0.000 0.520 391 R N 0.398 120.892 120.500 -0.011 0.000 2.854 391 R HA 0.552 4.893 4.340 0.001 0.000 0.271 391 R C -3.035 173.248 176.300 -0.028 0.000 0.994 391 R CA -1.836 54.255 56.100 -0.015 0.000 0.945 391 R CB 1.084 31.369 30.300 -0.026 0.000 1.194 391 R HN -0.264 nan 8.270 nan 0.000 0.476 392 P HA 0.061 nan 4.420 nan 0.000 0.268 392 P C -0.620 176.612 177.300 -0.113 0.000 1.205 392 P CA 0.019 63.059 63.100 -0.099 0.000 0.771 392 P CB 0.776 32.425 31.700 -0.085 0.000 0.858 393 L N 2.004 123.136 121.223 -0.152 0.000 2.331 393 L HA 0.401 4.742 4.340 0.001 0.000 0.275 393 L C 0.885 177.652 176.870 -0.172 0.000 1.022 393 L CA -1.012 53.742 54.840 -0.144 0.000 0.812 393 L CB 1.215 43.191 42.059 -0.138 0.000 1.257 393 L HN 0.243 nan 8.230 nan 0.000 0.435 394 E N 3.121 123.228 120.200 -0.155 0.000 2.180 394 E HA 0.339 4.689 4.350 0.001 0.000 0.283 394 E C -0.874 175.614 176.600 -0.188 0.000 1.061 394 E CA -0.183 56.122 56.400 -0.158 0.000 0.861 394 E CB 1.134 30.752 29.700 -0.136 0.000 1.056 394 E HN 0.368 nan 8.360 nan 0.000 0.407 395 L N 6.480 127.593 121.223 -0.183 0.000 2.275 395 L HA 0.389 4.730 4.340 0.001 0.000 0.288 395 L C -1.712 175.079 176.870 -0.132 0.000 1.046 395 L CA -1.788 52.948 54.840 -0.172 0.000 0.805 395 L CB 1.171 43.140 42.059 -0.150 0.000 1.193 395 L HN 0.251 nan 8.230 nan 0.000 0.426 396 P HA 0.271 nan 4.420 nan 0.000 0.276 396 P C -1.215 176.024 177.300 -0.101 0.000 1.261 396 P CA -0.624 62.386 63.100 -0.151 0.000 0.800 396 P CB 1.230 32.811 31.700 -0.198 0.000 1.066 397 K N 0.199 120.537 120.400 -0.103 0.000 2.118 397 K HA 0.481 4.802 4.320 0.001 0.000 0.254 397 K C -0.094 176.473 176.600 -0.056 0.000 0.961 397 K CA -0.654 55.611 56.287 -0.037 0.000 0.876 397 K CB 0.882 33.385 32.500 0.005 0.000 1.077 397 K HN 0.539 nan 8.250 nan 0.000 0.440 398 H N 1.331 120.502 119.070 0.169 0.000 2.572 398 H HA 0.324 4.880 4.556 0.001 0.000 0.359 398 H C -0.440 174.968 175.328 0.132 0.000 1.134 398 H CA -0.686 55.462 56.048 0.166 0.000 1.187 398 H CB 1.387 31.278 29.762 0.215 0.000 1.597 398 H HN 0.265 nan 8.280 nan 0.000 0.524 399 R N 3.212 123.867 120.500 0.258 0.000 2.349 399 R HA 0.412 4.753 4.340 0.001 0.000 0.299 399 R C 0.231 176.604 176.300 0.120 0.000 1.027 399 R CA -0.357 55.837 56.100 0.157 0.000 0.958 399 R CB 1.077 31.448 30.300 0.119 0.000 1.047 399 R HN 0.678 nan 8.270 nan 0.000 0.468 400 M N 0.915 120.569 119.600 0.090 0.000 2.744 400 M HA 0.621 5.101 4.480 0.001 0.000 0.283 400 M C -0.609 175.719 176.300 0.045 0.000 1.275 400 M CA -1.018 54.302 55.300 0.034 0.000 0.796 400 M CB 1.659 34.248 32.600 -0.019 0.000 1.739 400 M HN 0.230 nan 8.290 nan 0.000 0.454 401 I N 1.761 122.364 120.570 0.054 0.000 2.474 401 I HA 0.523 4.694 4.170 0.001 0.000 0.294 401 I C -1.552 174.630 176.117 0.107 0.000 1.005 401 I CA -0.904 60.465 61.300 0.116 0.000 1.113 401 I CB 1.977 40.097 38.000 0.201 0.000 1.289 401 I HN 0.464 nan 8.210 nan 0.000 0.436 402 L N 5.408 126.705 121.223 0.124 0.000 2.381 402 L HA 0.566 4.907 4.340 0.001 0.000 0.274 402 L C 0.275 177.288 176.870 0.238 0.000 0.988 402 L CA -0.278 54.624 54.840 0.104 0.000 0.824 402 L CB 1.948 44.058 42.059 0.084 0.000 1.263 402 L HN 0.655 nan 8.230 nan 0.000 0.410 403 T N -2.017 112.609 114.554 0.120 0.000 2.919 403 T HA 0.351 4.702 4.350 0.001 0.000 0.282 403 T C 0.318 175.017 174.700 -0.001 0.000 1.020 403 T CA -0.864 61.336 62.100 0.168 0.000 0.994 403 T CB 1.025 69.952 68.868 0.098 0.000 1.180 403 T HN 0.616 nan 8.240 nan 0.000 0.566 404 Q N 1.115 120.968 119.800 0.087 0.000 2.216 404 Q HA 0.104 4.445 4.340 0.001 0.000 0.175 404 Q C -0.384 175.547 176.000 -0.116 0.000 0.816 404 Q CA 0.350 56.132 55.803 -0.035 0.000 1.016 404 Q CB -0.892 27.909 28.738 0.106 0.000 1.400 404 Q HN 0.840 nan 8.270 nan 0.000 0.373 405 D N -1.611 118.676 120.400 -0.189 0.000 2.301 405 D HA -0.050 4.591 4.640 0.001 0.000 0.532 405 D C 0.639 176.790 176.300 -0.247 0.000 0.978 405 D CA -0.058 53.838 54.000 -0.174 0.000 1.078 405 D CB -0.358 40.390 40.800 -0.086 0.000 1.478 405 D HN 0.148 nan 8.370 nan 0.000 0.425 406 E N 0.922 120.916 120.200 -0.344 0.000 2.190 406 E HA 0.125 4.475 4.350 0.001 0.000 0.191 406 E C 2.212 178.618 176.600 -0.323 0.000 0.978 406 E CA 0.657 56.765 56.400 -0.487 0.000 0.839 406 E CB 0.168 29.395 29.700 -0.788 0.000 0.787 406 E HN 0.121 nan 8.360 nan 0.000 0.473 407 V N 0.642 120.289 119.914 -0.445 0.000 2.233 407 V HA -0.280 3.841 4.120 0.001 0.000 0.247 407 V C 2.231 178.115 176.094 -0.351 0.000 1.050 407 V CA 1.719 63.689 62.300 -0.550 0.000 1.010 407 V CB -0.778 30.423 31.823 -1.036 0.000 0.637 407 V HN 0.122 nan 8.190 nan 0.000 0.444 408 V N 0.224 119.951 119.914 -0.310 0.000 2.278 408 V HA -0.341 3.780 4.120 0.001 0.000 0.251 408 V C 2.342 178.325 176.094 -0.184 0.000 1.062 408 V CA 2.407 64.583 62.300 -0.207 0.000 1.038 408 V CB -0.863 30.864 31.823 -0.160 0.000 0.646 408 V HN 0.557 nan 8.190 nan 0.000 0.447 409 D N 0.097 120.384 120.400 -0.189 0.000 2.149 409 D HA -0.154 4.487 4.640 0.001 0.000 0.198 409 D C 2.196 178.300 176.300 -0.326 0.000 0.990 409 D CA 1.749 55.608 54.000 -0.234 0.000 0.839 409 D CB -0.161 40.560 40.800 -0.132 0.000 0.948 409 D HN 0.491 nan 8.370 nan 0.000 0.460 410 A N 0.516 123.258 122.820 -0.130 0.000 1.929 410 A HA -0.071 4.250 4.320 0.001 0.000 0.216 410 A C 2.341 179.928 177.584 0.004 0.000 1.176 410 A CA 0.574 52.618 52.037 0.011 0.000 0.628 410 A CB -0.674 18.311 19.000 -0.025 0.000 0.816 410 A HN 0.223 nan 8.150 nan 0.000 0.444 411 L N 0.027 121.206 121.223 -0.074 0.000 2.349 411 L HA -0.180 4.161 4.340 0.001 0.000 0.220 411 L C 1.437 178.294 176.870 -0.021 0.000 1.130 411 L CA 1.089 55.902 54.840 -0.044 0.000 0.791 411 L CB -0.505 41.506 42.059 -0.080 0.000 0.918 411 L HN 0.373 nan 8.230 nan 0.000 0.444 412 D N -1.075 119.279 120.400 -0.078 0.000 2.259 412 D HA -0.113 4.528 4.640 0.001 0.000 0.216 412 D C 1.972 178.307 176.300 0.058 0.000 0.961 412 D CA 0.705 54.659 54.000 -0.077 0.000 0.878 412 D CB -0.228 40.442 40.800 -0.217 0.000 1.009 412 D HN 0.386 nan 8.370 nan 0.000 0.490 413 W N 1.758 123.100 121.300 0.069 0.000 2.289 413 W HA -0.163 4.497 4.660 0.001 0.000 0.328 413 W C 2.501 179.065 176.519 0.075 0.000 1.241 413 W CA 0.127 57.528 57.345 0.093 0.000 1.221 413 W CB -0.722 28.798 29.460 0.099 0.000 1.175 413 W HN -0.112 nan 8.180 nan 0.000 0.457 414 L N 0.064 121.491 121.223 0.341 0.000 2.010 414 L HA -0.338 4.003 4.340 0.001 0.000 0.219 414 L C 2.575 179.533 176.870 0.145 0.000 1.077 414 L CA 2.458 57.415 54.840 0.194 0.000 0.773 414 L CB -1.668 40.470 42.059 0.132 0.000 0.892 414 L HN 0.191 nan 8.230 nan 0.000 0.436 415 T N -2.853 111.772 114.554 0.119 0.000 3.055 415 T HA -0.094 4.257 4.350 0.001 0.000 0.265 415 T C 1.747 176.508 174.700 0.102 0.000 1.111 415 T CA 0.615 62.768 62.100 0.088 0.000 1.118 415 T CB -0.228 68.674 68.868 0.056 0.000 0.909 415 T HN 0.308 nan 8.240 nan 0.000 0.501 416 L N 0.442 121.752 121.223 0.145 0.000 2.095 416 L HA 0.227 4.568 4.340 0.001 0.000 0.204 416 L C 0.821 177.780 176.870 0.149 0.000 1.080 416 L CA 0.979 55.913 54.840 0.157 0.000 0.759 416 L CB 0.071 42.269 42.059 0.231 0.000 0.914 416 L HN 0.397 nan 8.230 nan 0.000 0.439 417 L N -3.728 117.593 121.223 0.164 0.000 3.083 417 L HA 0.357 4.698 4.340 0.001 0.000 0.286 417 L C 0.979 177.911 176.870 0.103 0.000 1.307 417 L CA 0.055 54.971 54.840 0.128 0.000 0.897 417 L CB -0.050 42.092 42.059 0.138 0.000 1.306 417 L HN 0.041 nan 8.230 nan 0.000 0.569 418 E N 1.110 121.365 120.200 0.092 0.000 2.072 418 E HA -0.098 4.253 4.350 0.001 0.000 0.190 418 E C 0.081 176.715 176.600 0.057 0.000 0.982 418 E CA 0.892 57.337 56.400 0.074 0.000 0.803 418 E CB 0.272 30.012 29.700 0.067 0.000 0.755 418 E HN 0.656 nan 8.360 nan 0.000 0.453 419 N N 0.237 118.969 118.700 0.053 0.000 3.194 419 N HA 0.191 4.932 4.740 0.001 0.000 0.271 419 N C -1.883 173.651 175.510 0.040 0.000 1.308 419 N CA -0.109 52.966 53.050 0.041 0.000 1.042 419 N CB 1.611 40.121 38.487 0.037 0.000 1.310 419 N HN -0.129 nan 8.380 nan 0.000 0.502 420 V N 1.358 121.295 119.914 0.038 0.000 2.419 420 V HA 0.286 4.407 4.120 0.001 0.000 0.287 420 V C -0.146 175.959 176.094 0.018 0.000 1.017 420 V CA -0.615 61.704 62.300 0.033 0.000 0.844 420 V CB 1.623 33.472 31.823 0.043 0.000 1.011 420 V HN 0.407 nan 8.190 nan 0.000 0.429 421 D N 1.676 122.083 120.400 0.011 0.000 2.615 421 D HA 0.043 4.684 4.640 0.001 0.000 0.259 421 D C 1.204 177.499 176.300 -0.009 0.000 0.999 421 D CA 0.686 54.686 54.000 0.000 0.000 0.938 421 D CB 0.250 41.051 40.800 0.002 0.000 1.121 421 D HN 0.631 nan 8.370 nan 0.000 0.487 422 T N -0.158 114.394 114.554 -0.004 0.000 2.860 422 T HA 0.114 4.465 4.350 0.001 0.000 0.299 422 T C 1.008 175.700 174.700 -0.014 0.000 1.045 422 T CA -0.447 61.647 62.100 -0.009 0.000 1.071 422 T CB 1.239 70.106 68.868 -0.002 0.000 0.985 422 T HN -0.113 nan 8.240 nan 0.000 0.537 423 N N 0.615 119.302 118.700 -0.022 0.000 2.512 423 N HA -0.044 4.697 4.740 0.001 0.000 0.183 423 N C 1.600 177.103 175.510 -0.011 0.000 1.073 423 N CA 0.479 53.512 53.050 -0.029 0.000 0.911 423 N CB -0.127 38.336 38.487 -0.040 0.000 0.964 423 N HN 0.465 nan 8.380 nan 0.000 0.447 424 V N 1.304 121.217 119.914 -0.001 0.000 2.326 424 V HA -0.091 4.030 4.120 0.001 0.000 0.238 424 V C 2.012 178.118 176.094 0.020 0.000 1.038 424 V CA 1.099 63.405 62.300 0.010 0.000 1.032 424 V CB -0.593 31.237 31.823 0.011 0.000 0.675 424 V HN 0.127 nan 8.190 nan 0.000 0.467 425 E N 0.581 120.793 120.200 0.020 0.000 2.187 425 E HA -0.275 4.076 4.350 0.001 0.000 0.199 425 E C 2.358 178.980 176.600 0.038 0.000 1.004 425 E CA 1.698 58.116 56.400 0.030 0.000 0.813 425 E CB -0.254 29.463 29.700 0.027 0.000 0.736 425 E HN 0.522 nan 8.360 nan 0.000 0.468 426 S N 0.592 116.308 115.700 0.026 0.000 2.354 426 S HA -0.206 4.265 4.470 0.001 0.000 0.219 426 S C 1.903 176.530 174.600 0.046 0.000 1.035 426 S CA 1.412 59.630 58.200 0.029 0.000 1.037 426 S CB -0.042 63.159 63.200 0.002 0.000 0.956 426 S HN 0.187 nan 8.310 nan 0.000 0.428 427 R N 0.260 120.784 120.500 0.039 0.000 2.148 427 R HA 0.015 4.356 4.340 0.001 0.000 0.227 427 R C 2.327 178.665 176.300 0.063 0.000 1.103 427 R CA 1.098 57.229 56.100 0.052 0.000 0.983 427 R CB -0.536 29.788 30.300 0.040 0.000 0.874 427 R HN 0.435 nan 8.270 nan 0.000 0.451 428 L N 0.933 122.189 121.223 0.056 0.000 1.970 428 L HA -0.159 4.182 4.340 0.001 0.000 0.212 428 L C 2.183 179.098 176.870 0.076 0.000 1.071 428 L CA 2.225 57.101 54.840 0.060 0.000 0.751 428 L CB -0.817 41.272 42.059 0.051 0.000 0.889 428 L HN 0.101 nan 8.230 nan 0.000 0.432 429 A N -0.200 122.670 122.820 0.083 0.000 1.821 429 A HA -0.109 4.212 4.320 0.001 0.000 0.215 429 A C 2.149 179.812 177.584 0.132 0.000 1.214 429 A CA 1.837 53.938 52.037 0.106 0.000 0.608 429 A CB -1.256 17.812 19.000 0.113 0.000 0.862 429 A HN 0.489 nan 8.150 nan 0.000 0.448 430 L N -0.365 120.942 121.223 0.140 0.000 2.642 430 L HA 0.132 4.472 4.340 0.001 0.000 0.236 430 L C 1.365 178.320 176.870 0.143 0.000 1.169 430 L CA 0.341 55.280 54.840 0.164 0.000 0.851 430 L CB -1.452 40.695 42.059 0.146 0.000 0.968 430 L HN 0.814 nan 8.230 nan 0.000 0.453 431 G N -0.096 108.775 108.800 0.119 0.000 2.660 431 G HA2 -0.233 3.728 3.960 0.001 0.000 0.215 431 G HA3 -0.233 3.728 3.960 0.001 0.000 0.215 431 G C -0.071 174.887 174.900 0.097 0.000 1.345 431 G CA -0.122 45.046 45.100 0.112 0.000 0.877 431 G HN 0.162 nan 8.290 nan 0.000 0.549 432 D N 1.270 121.731 120.400 0.101 0.000 2.354 432 D HA 0.092 4.733 4.640 0.001 0.000 0.209 432 D C 1.016 177.364 176.300 0.080 0.000 1.015 432 D CA 1.339 55.391 54.000 0.088 0.000 0.867 432 D CB 0.023 40.882 40.800 0.098 0.000 0.933 432 D HN 0.708 nan 8.370 nan 0.000 0.520 433 N N -0.381 118.369 118.700 0.084 0.000 3.171 433 N HA 0.080 4.821 4.740 0.001 0.000 0.239 433 N C -1.525 173.994 175.510 0.015 0.000 1.275 433 N CA -0.476 52.594 53.050 0.034 0.000 0.920 433 N CB 0.983 39.475 38.487 0.010 0.000 1.554 433 N HN -0.230 nan 8.380 nan 0.000 0.504 434 M N 1.226 120.810 119.600 -0.027 0.000 2.027 434 M HA 0.249 4.730 4.480 0.001 0.000 0.329 434 M C -0.257 175.900 176.300 -0.237 0.000 0.971 434 M CA -0.116 55.155 55.300 -0.048 0.000 0.933 434 M CB 0.520 33.128 32.600 0.013 0.000 1.392 434 M HN 0.647 nan 8.290 nan 0.000 0.394 435 E N 1.677 121.634 120.200 -0.405 0.000 2.328 435 E HA -0.286 4.065 4.350 0.001 0.000 0.233 435 E C 0.844 176.638 176.600 -1.343 0.000 1.219 435 E CA 0.636 56.556 56.400 -0.800 0.000 0.717 435 E CB -1.276 28.343 29.700 -0.134 0.000 1.210 435 E HN 1.236 nan 8.360 nan 0.000 0.381 436 G N -0.249 107.452 108.800 -1.832 0.000 2.784 436 G HA2 -0.362 3.599 3.960 0.001 0.000 0.204 436 G HA3 -0.362 3.599 3.960 0.001 0.000 0.204 436 G C 0.030 174.595 174.900 -0.558 0.000 1.300 436 G CA -0.116 44.064 45.100 -1.533 0.000 0.863 436 G HN 0.321 nan 8.290 nan 0.000 0.541 437 Y N 3.811 123.869 120.300 -0.403 0.000 2.702 437 Y HA 0.392 4.943 4.550 0.001 0.000 0.336 437 Y C 1.157 176.935 175.900 -0.203 0.000 1.235 437 Y CA 1.407 59.384 58.100 -0.204 0.000 1.492 437 Y CB 0.628 39.089 38.460 0.001 0.000 1.308 437 Y HN 0.342 nan 8.280 nan 0.000 0.589 438 T N 5.054 119.434 114.554 -0.291 0.000 2.889 438 T HA 0.377 4.728 4.350 0.001 0.000 0.291 438 T C -0.133 174.597 174.700 0.050 0.000 0.995 438 T CA -0.882 61.123 62.100 -0.157 0.000 1.092 438 T CB 0.930 69.613 68.868 -0.309 0.000 0.954 438 T HN 0.440 nan 8.240 nan 0.000 0.506 439 V N 2.200 122.142 119.914 0.048 0.000 3.185 439 V HA 0.475 4.596 4.120 0.001 0.000 0.305 439 V C 0.226 176.329 176.094 0.014 0.000 1.090 439 V CA -0.140 62.200 62.300 0.068 0.000 1.107 439 V CB 1.032 32.892 31.823 0.061 0.000 1.061 439 V HN 1.076 nan 8.190 nan 0.000 0.480 440 D N 0.585 120.981 120.400 -0.006 0.000 2.575 440 D HA 0.013 4.654 4.640 0.001 0.000 0.214 440 D C 0.169 176.414 176.300 -0.092 0.000 1.100 440 D CA -0.673 53.288 54.000 -0.063 0.000 0.790 440 D CB 0.589 41.325 40.800 -0.105 0.000 2.767 440 D HN 0.340 nan 8.370 nan 0.000 0.474 441 L N 3.100 124.269 121.223 -0.089 0.000 2.123 441 L HA -0.242 4.099 4.340 0.001 0.000 0.217 441 L C 1.785 178.554 176.870 -0.169 0.000 1.081 441 L CA 2.776 57.558 54.840 -0.096 0.000 0.772 441 L CB -0.892 41.115 42.059 -0.087 0.000 0.890 441 L HN 0.793 nan 8.230 nan 0.000 0.437 442 Q N -0.496 119.152 119.800 -0.253 0.000 2.152 442 Q HA -0.160 4.181 4.340 0.001 0.000 0.206 442 Q C 2.009 177.667 176.000 -0.571 0.000 0.985 442 Q CA 2.527 58.066 55.803 -0.440 0.000 0.863 442 Q CB -0.450 27.965 28.738 -0.537 0.000 0.904 442 Q HN 0.466 nan 8.270 nan 0.000 0.422 443 V N 0.363 120.082 119.914 -0.325 0.000 2.302 443 V HA -0.140 3.981 4.120 0.001 0.000 0.243 443 V C 2.299 178.380 176.094 -0.020 0.000 1.036 443 V CA 1.552 63.754 62.300 -0.163 0.000 1.020 443 V CB -1.352 30.467 31.823 -0.007 0.000 0.657 443 V HN 0.509 nan 8.190 nan 0.000 0.453 444 A N -0.480 122.326 122.820 -0.025 0.000 1.986 444 A HA -0.260 4.060 4.320 0.001 0.000 0.220 444 A C 2.130 179.719 177.584 0.009 0.000 1.171 444 A CA 1.875 53.917 52.037 0.010 0.000 0.640 444 A CB -0.458 18.552 19.000 0.017 0.000 0.811 444 A HN 0.516 nan 8.150 nan 0.000 0.451 445 E N -1.314 118.856 120.200 -0.050 0.000 2.347 445 E HA -0.103 4.248 4.350 0.001 0.000 0.196 445 E C 1.528 178.166 176.600 0.064 0.000 1.008 445 E CA 0.658 57.035 56.400 -0.038 0.000 0.852 445 E CB -0.247 29.374 29.700 -0.130 0.000 0.783 445 E HN 0.898 nan 8.360 nan 0.000 0.505 446 Y N 0.181 120.476 120.300 -0.008 0.000 2.231 446 Y HA -0.057 4.494 4.550 0.002 0.000 0.294 446 Y C 2.391 178.325 175.900 0.057 0.000 1.120 446 Y CA 0.250 58.372 58.100 0.035 0.000 1.141 446 Y CB 0.142 38.623 38.460 0.034 0.000 1.022 446 Y HN -0.038 nan 8.280 nan 0.000 0.523 447 L N 0.154 121.467 121.223 0.150 0.000 2.017 447 L HA -0.258 4.083 4.340 0.001 0.000 0.208 447 L C 2.246 179.153 176.870 0.062 0.000 1.073 447 L CA 1.466 56.262 54.840 -0.073 0.000 0.745 447 L CB -0.647 41.182 42.059 -0.383 0.000 0.894 447 L HN 0.200 nan 8.230 nan 0.000 0.432 448 K N -0.097 120.357 120.400 0.091 0.000 2.001 448 K HA -0.229 4.092 4.320 0.001 0.000 0.214 448 K C 2.331 179.008 176.600 0.129 0.000 1.050 448 K CA 1.936 58.291 56.287 0.113 0.000 0.934 448 K CB -0.515 32.039 32.500 0.090 0.000 0.718 448 K HN 0.120 nan 8.250 nan 0.000 0.443 449 S N 0.139 115.929 115.700 0.151 0.000 2.440 449 S HA -0.162 4.308 4.470 0.001 0.000 0.238 449 S C 1.611 176.329 174.600 0.196 0.000 1.010 449 S CA 0.886 59.182 58.200 0.160 0.000 0.972 449 S CB -0.244 63.067 63.200 0.185 0.000 0.774 449 S HN 0.322 nan 8.310 nan 0.000 0.501 450 F N 1.908 121.866 119.950 0.013 0.000 2.123 450 F HA 0.253 4.781 4.527 0.001 0.000 0.289 450 F C 2.366 178.163 175.800 -0.006 0.000 1.099 450 F CA 1.281 59.255 58.000 -0.043 0.000 1.234 450 F CB -1.227 37.675 39.000 -0.163 0.000 1.034 450 F HN 0.194 nan 8.300 nan 0.000 0.479 451 G N 0.664 109.466 108.800 0.003 0.000 2.503 451 G HA2 -0.306 3.655 3.960 0.001 0.000 0.221 451 G HA3 -0.306 3.655 3.960 0.001 0.000 0.221 451 G C 1.857 176.728 174.900 -0.048 0.000 1.131 451 G CA 1.137 46.226 45.100 -0.018 0.000 0.756 451 G HN 0.345 nan 8.290 nan 0.000 0.572 452 R N -0.338 120.167 120.500 0.008 0.000 2.060 452 R HA 0.013 4.354 4.340 0.001 0.000 0.225 452 R C 2.840 179.137 176.300 -0.005 0.000 1.155 452 R CA 1.294 57.405 56.100 0.018 0.000 0.930 452 R CB -0.617 29.713 30.300 0.051 0.000 0.829 452 R HN 0.345 nan 8.270 nan 0.000 0.433 453 Q N 0.491 120.295 119.800 0.007 0.000 2.268 453 Q HA -0.219 4.122 4.340 0.001 0.000 0.213 453 Q C 2.193 178.178 176.000 -0.025 0.000 0.995 453 Q CA 2.251 58.064 55.803 0.015 0.000 0.901 453 Q CB -0.412 28.364 28.738 0.063 0.000 0.921 453 Q HN 0.317 nan 8.270 nan 0.000 0.421 454 V N -0.520 119.308 119.914 -0.143 0.000 2.343 454 V HA -0.243 3.878 4.120 0.001 0.000 0.247 454 V C 2.067 178.160 176.094 -0.002 0.000 1.051 454 V CA 1.697 63.920 62.300 -0.128 0.000 1.036 454 V CB -0.932 30.747 31.823 -0.239 0.000 0.654 454 V HN 0.311 nan 8.190 nan 0.000 0.451 455 L N 0.565 121.787 121.223 -0.002 0.000 2.492 455 L HA 0.084 4.424 4.340 0.001 0.000 0.223 455 L C 2.323 179.282 176.870 0.149 0.000 1.132 455 L CA 1.345 56.241 54.840 0.093 0.000 0.850 455 L CB -0.952 41.125 42.059 0.030 0.000 0.966 455 L HN 0.418 nan 8.230 nan 0.000 0.454 456 N N 0.200 118.956 118.700 0.095 0.000 2.354 456 N HA -0.105 4.636 4.740 0.001 0.000 0.179 456 N C 1.419 176.989 175.510 0.100 0.000 1.021 456 N CA 1.010 54.114 53.050 0.089 0.000 0.887 456 N CB 0.039 38.566 38.487 0.067 0.000 0.974 456 N HN 0.213 nan 8.380 nan 0.000 0.437 457 C N -0.316 119.057 119.300 0.121 0.000 2.974 457 C HA 0.284 4.745 4.460 0.001 0.000 0.282 457 C C 1.763 176.857 174.990 0.174 0.000 1.292 457 C CA -1.061 58.028 59.018 0.117 0.000 1.710 457 C CB -1.721 26.080 27.740 0.101 0.000 2.036 457 C HN 0.596 nan 8.230 nan 0.000 0.629 458 W N 1.550 122.842 121.300 -0.012 0.000 2.519 458 W HA 0.037 4.698 4.660 0.002 0.000 0.313 458 W C 0.388 176.901 176.519 -0.009 0.000 1.156 458 W CA 0.606 57.941 57.345 -0.016 0.000 1.394 458 W CB -0.397 29.050 29.460 -0.021 0.000 1.154 458 W HN 0.154 nan 8.180 nan 0.000 0.498 459 S N 2.057 117.728 115.700 -0.049 0.000 3.483 459 S HA 0.189 4.660 4.470 0.001 0.000 0.274 459 S C 0.135 174.682 174.600 -0.088 0.000 1.289 459 S CA -0.086 58.004 58.200 -0.183 0.000 0.938 459 S CB 0.756 63.944 63.200 -0.019 0.000 1.453 459 S HN 0.309 nan 8.310 nan 0.000 0.494 460 K N 1.063 121.389 120.400 -0.123 0.000 2.582 460 K HA 0.213 4.534 4.320 0.001 0.000 0.191 460 K C 0.745 177.300 176.600 -0.075 0.000 1.593 460 K CA 0.458 56.707 56.287 -0.063 0.000 1.040 460 K CB 0.216 32.707 32.500 -0.015 0.000 1.374 460 K HN 0.699 nan 8.250 nan 0.000 0.608 461 G N 2.250 110.976 108.800 -0.124 0.000 2.273 461 G HA2 -0.262 3.699 3.960 0.001 0.000 0.280 461 G HA3 -0.262 3.699 3.960 0.001 0.000 0.280 461 G C -0.080 174.781 174.900 -0.065 0.000 1.047 461 G CA 0.949 45.986 45.100 -0.105 0.000 0.869 461 G HN 0.475 nan 8.290 nan 0.000 0.502 462 D N -0.991 119.375 120.400 -0.056 0.000 2.594 462 D HA 0.148 4.789 4.640 0.001 0.000 0.256 462 D C 2.248 178.548 176.300 -0.000 0.000 1.393 462 D CA 0.188 54.178 54.000 -0.016 0.000 0.797 462 D CB -0.168 40.635 40.800 0.005 0.000 1.110 462 D HN 0.560 nan 8.370 nan 0.000 0.495 463 I N -1.384 119.172 120.570 -0.024 0.000 2.502 463 I HA -0.069 4.102 4.170 0.001 0.000 0.258 463 I C 0.195 176.328 176.117 0.027 0.000 1.172 463 I CA 1.097 62.407 61.300 0.016 0.000 1.430 463 I CB -0.002 37.993 38.000 -0.007 0.000 1.086 463 I HN -0.126 nan 8.210 nan 0.000 0.440 464 E N 2.922 123.128 120.200 0.010 0.000 1.999 464 E HA 0.236 4.587 4.350 0.001 0.000 0.296 464 E C -0.578 176.044 176.600 0.036 0.000 1.187 464 E CA -0.247 56.165 56.400 0.020 0.000 1.229 464 E CB -0.014 29.693 29.700 0.011 0.000 1.131 464 E HN 0.427 nan 8.360 nan 0.000 0.478 465 L N 0.945 122.196 121.223 0.047 0.000 2.411 465 L HA -0.191 4.150 4.340 0.001 0.000 0.718 465 L C 0.267 177.176 176.870 0.065 0.000 1.181 465 L CA 0.182 55.057 54.840 0.058 0.000 1.407 465 L CB -1.749 40.347 42.059 0.061 0.000 2.162 465 L HN 0.392 nan 8.230 nan 0.000 0.965 466 S N 0.091 115.834 115.700 0.072 0.000 2.566 466 S HA 0.326 4.797 4.470 0.001 0.000 0.280 466 S C 0.814 175.467 174.600 0.088 0.000 1.343 466 S CA 0.365 58.613 58.200 0.079 0.000 1.036 466 S CB 1.105 64.358 63.200 0.088 0.000 0.866 466 S HN 0.893 nan 8.310 nan 0.000 0.526 467 T N 3.545 118.151 114.554 0.087 0.000 2.923 467 T HA 0.100 4.451 4.350 0.001 0.000 0.320 467 T C -2.253 172.513 174.700 0.110 0.000 1.074 467 T CA -0.954 61.205 62.100 0.097 0.000 1.131 467 T CB -0.403 68.522 68.868 0.094 0.000 1.058 467 T HN 0.673 nan 8.240 nan 0.000 0.535 468 P HA 0.180 nan 4.420 nan 0.000 0.262 468 P C -0.726 176.645 177.300 0.118 0.000 1.182 468 P CA 0.437 63.606 63.100 0.115 0.000 0.761 468 P CB 0.173 31.924 31.700 0.085 0.000 0.795 469 I N 4.837 125.500 120.570 0.155 0.000 2.686 469 I HA 0.335 4.506 4.170 0.001 0.000 0.295 469 I C -2.362 173.870 176.117 0.191 0.000 1.114 469 I CA -3.006 58.401 61.300 0.178 0.000 1.038 469 I CB 3.149 41.287 38.000 0.231 0.000 1.238 469 I HN 0.125 nan 8.210 nan 0.000 0.420 470 P HA 0.197 nan 4.420 nan 0.000 0.280 470 P C -0.688 176.655 177.300 0.072 0.000 1.244 470 P CA -0.310 62.850 63.100 0.099 0.000 0.784 470 P CB 0.818 32.533 31.700 0.024 0.000 0.913 471 L N 4.533 125.840 121.223 0.141 0.000 2.628 471 L HA -0.003 4.338 4.340 0.001 0.000 0.274 471 L C 0.692 177.394 176.870 -0.280 0.000 1.209 471 L CA 0.604 55.476 54.840 0.054 0.000 0.930 471 L CB -1.363 40.797 42.059 0.168 0.000 1.183 471 L HN 0.459 nan 8.230 nan 0.000 0.492 472 F N 0.802 119.862 119.950 -1.482 0.000 2.174 472 F HA -0.256 4.272 4.527 0.001 0.000 0.316 472 F C 1.637 176.715 175.800 -1.202 0.000 0.129 472 F CA 1.183 57.903 58.000 -2.134 0.000 0.907 472 F CB -1.211 36.993 39.000 -1.327 0.000 4.109 472 F HN 0.580 nan 8.300 nan 0.000 0.156 473 G N -0.390 108.194 108.800 -0.360 0.000 2.471 473 G HA2 -0.082 3.879 3.960 0.001 0.000 0.219 473 G HA3 -0.082 3.879 3.960 0.001 0.000 0.219 473 G C 0.274 174.966 174.900 -0.346 0.000 1.125 473 G CA 0.165 45.257 45.100 -0.014 0.000 0.775 473 G HN 0.317 nan 8.290 nan 0.000 0.548 474 F N 1.691 121.151 119.950 -0.817 0.000 2.477 474 F HA 0.088 4.616 4.527 0.001 0.000 0.392 474 F C 1.479 176.870 175.800 -0.683 0.000 1.028 474 F CA -0.436 56.923 58.000 -1.068 0.000 1.069 474 F CB 0.036 38.798 39.000 -0.396 0.000 0.970 474 F HN 0.229 nan 8.300 nan 0.000 0.540 475 E N 2.171 121.976 120.200 -0.658 0.000 2.140 475 E HA -0.021 4.330 4.350 0.001 0.000 0.191 475 E C 0.343 176.835 176.600 -0.181 0.000 0.973 475 E CA 0.624 56.888 56.400 -0.228 0.000 0.829 475 E CB 0.400 30.066 29.700 -0.057 0.000 0.781 475 E HN 0.589 nan 8.360 nan 0.000 0.466 476 K N 0.053 120.325 120.400 -0.213 0.000 2.532 476 K HA 0.370 4.691 4.320 0.001 0.000 0.265 476 K C -0.675 175.681 176.600 -0.407 0.000 0.948 476 K CA -0.805 55.321 56.287 -0.268 0.000 0.842 476 K CB 1.626 33.991 32.500 -0.225 0.000 1.392 476 K HN -0.237 nan 8.250 nan 0.000 0.436 477 I N 2.032 122.385 120.570 -0.361 0.000 2.779 477 I HA 0.139 4.310 4.170 0.001 0.000 0.285 477 I C 0.122 176.006 176.117 -0.390 0.000 1.134 477 I CA 0.029 61.199 61.300 -0.216 0.000 1.398 477 I CB 0.085 38.010 38.000 -0.125 0.000 1.404 477 I HN 0.584 nan 8.210 nan 0.000 0.587 478 H N 4.557 123.682 119.070 0.091 0.000 2.658 478 H HA 0.284 4.841 4.556 0.002 0.000 0.337 478 H C -2.246 173.002 175.328 -0.132 0.000 1.009 478 H CA -1.757 54.270 56.048 -0.034 0.000 1.231 478 H CB 1.915 31.656 29.762 -0.035 0.000 1.508 478 H HN 0.274 nan 8.280 nan 0.000 0.517 479 P HA -0.147 nan 4.420 nan 0.000 0.255 479 P C 0.285 177.588 177.300 0.005 0.000 1.161 479 P CA 0.337 63.446 63.100 0.015 0.000 0.768 479 P CB 0.265 31.981 31.700 0.026 0.000 0.746 480 H N 7.830 126.839 119.070 -0.101 0.000 3.257 480 H HA -0.045 4.512 4.556 0.001 0.000 0.256 480 H C -0.846 174.437 175.328 -0.075 0.000 0.885 480 H CA -1.340 54.639 56.048 -0.115 0.000 1.406 480 H CB 0.130 29.845 29.762 -0.079 0.000 1.506 480 H HN 0.346 nan 8.280 nan 0.000 0.527 481 P HA -0.165 nan 4.420 nan 0.000 0.225 481 P C 0.772 178.120 177.300 0.080 0.000 1.141 481 P CA 1.269 64.418 63.100 0.082 0.000 0.774 481 P CB 0.319 32.038 31.700 0.032 0.000 0.760 482 R N -0.840 119.728 120.500 0.113 0.000 2.167 482 R HA 0.228 4.569 4.340 0.001 0.000 0.195 482 R C 0.577 176.769 176.300 -0.180 0.000 1.027 482 R CA 0.283 56.338 56.100 -0.076 0.000 1.114 482 R CB 0.533 30.748 30.300 -0.142 0.000 1.075 482 R HN 0.053 nan 8.270 nan 0.000 0.538 483 V N 1.178 120.903 119.914 -0.314 0.000 2.686 483 V HA 0.468 4.589 4.120 0.001 0.000 0.306 483 V C -2.022 174.024 176.094 -0.080 0.000 1.065 483 V CA -0.533 61.637 62.300 -0.216 0.000 0.894 483 V CB 1.897 33.543 31.823 -0.294 0.000 1.004 483 V HN 0.180 nan 8.190 nan 0.000 0.424 484 Q N 4.691 124.477 119.800 -0.025 0.000 2.379 484 Q HA 0.434 4.775 4.340 0.001 0.000 0.278 484 Q C -1.966 174.077 176.000 0.071 0.000 1.068 484 Q CA -0.604 55.221 55.803 0.037 0.000 0.816 484 Q CB 3.107 31.859 28.738 0.023 0.000 1.387 484 Q HN 0.891 nan 8.270 nan 0.000 0.413 485 Y N 1.563 121.846 120.300 -0.029 0.000 2.593 485 Y HA 0.200 4.751 4.550 0.001 0.000 0.331 485 Y C 0.674 176.559 175.900 -0.025 0.000 0.986 485 Y CA -0.351 57.733 58.100 -0.026 0.000 1.262 485 Y CB 0.727 39.183 38.460 -0.008 0.000 1.098 485 Y HN 0.820 nan 8.280 nan 0.000 0.506 486 S N 2.683 118.215 115.700 -0.281 0.000 2.515 486 S HA 0.029 4.500 4.470 0.001 0.000 0.231 486 S C 0.520 174.925 174.600 -0.326 0.000 0.987 486 S CA 0.285 58.342 58.200 -0.239 0.000 0.936 486 S CB -0.159 62.931 63.200 -0.185 0.000 0.766 486 S HN 0.548 nan 8.310 nan 0.000 0.528 487 K N 2.029 122.021 120.400 -0.680 0.000 2.209 487 K HA 0.383 4.704 4.320 0.001 0.000 0.238 487 K C -2.720 173.792 176.600 -0.146 0.000 1.028 487 K CA -2.429 53.552 56.287 -0.510 0.000 0.935 487 K CB -0.166 31.909 32.500 -0.708 0.000 1.162 487 K HN 0.077 nan 8.250 nan 0.000 0.485 488 P HA 0.133 nan 4.420 nan 0.000 0.271 488 P C -0.732 176.681 177.300 0.188 0.000 1.216 488 P CA 0.412 63.552 63.100 0.067 0.000 0.776 488 P CB 0.520 32.215 31.700 -0.008 0.000 0.881 489 I N 2.010 122.645 120.570 0.108 0.000 2.582 489 I HA 0.361 4.532 4.170 0.001 0.000 0.292 489 I C -0.166 175.964 176.117 0.021 0.000 1.066 489 I CA -0.882 60.459 61.300 0.067 0.000 1.053 489 I CB 2.299 40.334 38.000 0.057 0.000 1.241 489 I HN 0.378 nan 8.210 nan 0.000 0.421 490 C N 6.766 126.077 119.300 0.018 0.000 2.396 490 C HA 0.788 5.249 4.460 0.001 0.000 0.321 490 C C -0.503 174.513 174.990 0.043 0.000 1.233 490 C CA -0.221 58.810 59.018 0.023 0.000 1.440 490 C CB 0.869 28.617 27.740 0.015 0.000 2.110 490 C HN 0.582 nan 8.230 nan 0.000 0.473 491 V N 6.938 126.881 119.914 0.048 0.000 2.547 491 V HA 0.501 4.622 4.120 0.001 0.000 0.299 491 V C -0.166 176.000 176.094 0.120 0.000 1.040 491 V CA -0.590 61.763 62.300 0.088 0.000 0.913 491 V CB 1.685 33.536 31.823 0.047 0.000 0.992 491 V HN 0.751 nan 8.190 nan 0.000 0.449 492 L N 5.976 127.305 121.223 0.176 0.000 2.309 492 L HA 0.688 5.029 4.340 0.001 0.000 0.282 492 L C -0.236 176.774 176.870 0.233 0.000 1.036 492 L CA -0.193 54.782 54.840 0.225 0.000 0.806 492 L CB 1.421 43.659 42.059 0.298 0.000 1.220 492 L HN 0.723 nan 8.230 nan 0.000 0.429 493 I N 1.007 121.716 120.570 0.231 0.000 3.195 493 I HA 0.625 4.796 4.170 0.001 0.000 0.313 493 I C -1.292 174.947 176.117 0.204 0.000 1.237 493 I CA -0.734 60.677 61.300 0.185 0.000 0.963 493 I CB 2.735 40.800 38.000 0.109 0.000 1.278 493 I HN 0.819 nan 8.210 nan 0.000 0.460 494 N N 0.223 118.999 118.700 0.126 0.000 3.308 494 N HA 0.182 4.923 4.740 0.001 0.000 0.276 494 N C -0.001 175.497 175.510 -0.021 0.000 1.533 494 N CA -0.533 52.586 53.050 0.116 0.000 0.878 494 N CB 0.710 39.306 38.487 0.180 0.000 1.566 494 N HN 0.720 nan 8.380 nan 0.000 0.546 495 E N -0.064 120.121 120.200 -0.026 0.000 2.331 495 E HA -0.244 4.107 4.350 0.001 0.000 0.199 495 E C 0.004 176.444 176.600 -0.266 0.000 1.008 495 E CA 1.476 57.811 56.400 -0.108 0.000 0.843 495 E CB -0.351 29.331 29.700 -0.029 0.000 0.761 495 E HN 0.679 nan 8.360 nan 0.000 0.507 496 Q N 1.170 120.813 119.800 -0.262 0.000 2.465 496 Q HA 0.184 4.525 4.340 0.001 0.000 0.361 496 Q C -0.980 174.638 176.000 -0.638 0.000 0.957 496 Q CA -0.205 55.338 55.803 -0.433 0.000 1.065 496 Q CB 0.634 29.328 28.738 -0.074 0.000 1.274 496 Q HN 0.102 nan 8.270 nan 0.000 0.421 497 D N 0.699 120.623 120.400 -0.794 0.000 2.481 497 D HA 0.314 4.955 4.640 0.001 0.000 0.246 497 D C -0.612 175.299 176.300 -0.649 0.000 1.109 497 D CA -0.145 53.553 54.000 -0.504 0.000 0.845 497 D CB 0.955 41.652 40.800 -0.172 0.000 1.160 497 D HN 0.020 nan 8.370 nan 0.000 0.534 498 F N 0.679 120.570 119.950 -0.100 0.000 2.631 498 F HA 0.681 5.208 4.527 0.001 0.000 0.350 498 F C 1.617 177.374 175.800 -0.071 0.000 1.080 498 F CA -0.957 56.980 58.000 -0.104 0.000 1.026 498 F CB -0.101 38.819 39.000 -0.134 0.000 1.347 498 F HN 0.399 nan 8.300 nan 0.000 0.501 499 A N 0.174 123.131 122.820 0.228 0.000 5.279 499 A HA -0.375 3.946 4.320 0.001 0.000 0.359 499 A C 1.993 179.587 177.584 0.016 0.000 1.600 499 A CA 2.649 54.763 52.037 0.128 0.000 0.725 499 A CB -2.075 16.919 19.000 -0.012 0.000 1.514 499 A HN 0.978 nan 8.150 nan 0.000 0.421 500 C N -0.419 118.808 119.300 -0.122 0.000 2.403 500 C HA 0.060 4.521 4.460 0.001 0.000 0.277 500 C C 3.214 178.032 174.990 -0.286 0.000 1.248 500 C CA 1.716 60.577 59.018 -0.261 0.000 1.762 500 C CB -2.066 25.388 27.740 -0.477 0.000 2.014 500 C HN 1.279 nan 8.230 nan 0.000 0.486 501 A N -0.190 122.505 122.820 -0.208 0.000 2.194 501 A HA -0.259 4.062 4.320 0.001 0.000 0.220 501 A C 1.712 179.319 177.584 0.039 0.000 1.162 501 A CA 2.374 54.377 52.037 -0.058 0.000 0.674 501 A CB -0.488 18.533 19.000 0.036 0.000 0.789 501 A HN 0.742 nan 8.150 nan 0.000 0.470 502 D N -2.335 118.098 120.400 0.055 0.000 2.566 502 D HA 0.062 4.703 4.640 0.001 0.000 0.253 502 D C 1.440 177.833 176.300 0.155 0.000 0.992 502 D CA 0.067 54.118 54.000 0.085 0.000 0.940 502 D CB -0.187 40.661 40.800 0.081 0.000 1.095 502 D HN 0.305 nan 8.370 nan 0.000 0.480 503 F N -0.044 119.900 119.950 -0.010 0.000 2.271 503 F HA -0.159 4.369 4.527 0.001 0.000 0.302 503 F C 1.587 177.441 175.800 0.090 0.000 1.063 503 F CA 0.576 58.596 58.000 0.032 0.000 1.362 503 F CB 0.020 39.039 39.000 0.031 0.000 1.060 503 F HN 0.076 nan 8.300 nan 0.000 0.521 504 F N 1.984 121.945 119.950 0.019 0.000 2.044 504 F HA 0.002 4.530 4.527 0.001 0.000 0.287 504 F C -0.480 175.317 175.800 -0.005 0.000 1.155 504 F CA 0.235 58.244 58.000 0.014 0.000 1.152 504 F CB -1.975 37.055 39.000 0.051 0.000 1.013 504 F HN -0.244 nan 8.300 nan 0.000 0.478 505 P HA -0.206 nan 4.420 nan 0.000 0.217 505 P C 2.133 179.328 177.300 -0.176 0.000 1.151 505 P CA 2.026 65.021 63.100 -0.175 0.000 0.849 505 P CB -0.385 31.296 31.700 -0.032 0.000 0.787 506 V N 0.324 120.161 119.914 -0.128 0.000 2.216 506 V HA -0.220 3.901 4.120 0.001 0.000 0.243 506 V C 2.711 178.682 176.094 -0.206 0.000 1.044 506 V CA 2.070 64.276 62.300 -0.157 0.000 0.995 506 V CB -1.103 30.625 31.823 -0.158 0.000 0.633 506 V HN -0.096 nan 8.190 nan 0.000 0.446 507 V N 0.202 119.962 119.914 -0.255 0.000 2.277 507 V HA -0.353 3.768 4.120 0.001 0.000 0.253 507 V C 2.371 178.343 176.094 -0.203 0.000 1.067 507 V CA 2.672 64.821 62.300 -0.252 0.000 1.047 507 V CB -0.727 30.960 31.823 -0.225 0.000 0.649 507 V HN 0.531 nan 8.190 nan 0.000 0.447 508 L N -0.307 120.777 121.223 -0.233 0.000 1.955 508 L HA -0.254 4.086 4.340 0.001 0.000 0.213 508 L C 2.606 179.396 176.870 -0.134 0.000 1.072 508 L CA 2.362 57.077 54.840 -0.208 0.000 0.755 508 L CB -0.794 41.079 42.059 -0.310 0.000 0.888 508 L HN 0.280 nan 8.230 nan 0.000 0.432 509 K N -0.139 120.187 120.400 -0.124 0.000 2.293 509 K HA -0.229 4.091 4.320 0.001 0.000 0.204 509 K C 1.077 177.643 176.600 -0.057 0.000 1.045 509 K CA 1.663 57.917 56.287 -0.055 0.000 0.933 509 K CB -0.078 32.342 32.500 -0.134 0.000 0.736 509 K HN 0.388 nan 8.250 nan 0.000 0.463 510 D N -0.041 120.296 120.400 -0.105 0.000 2.340 510 D HA -0.004 4.637 4.640 0.001 0.000 0.220 510 D C 0.595 176.835 176.300 -0.100 0.000 1.039 510 D CA 0.347 54.281 54.000 -0.109 0.000 0.866 510 D CB 0.297 41.007 40.800 -0.151 0.000 0.913 510 D HN 0.259 nan 8.370 nan 0.000 0.523 511 N N 0.575 119.221 118.700 -0.090 0.000 2.166 511 N HA -0.036 4.705 4.740 0.001 0.000 0.213 511 N C -0.558 174.916 175.510 -0.061 0.000 1.222 511 N CA 0.018 53.018 53.050 -0.082 0.000 0.900 511 N CB 1.263 39.693 38.487 -0.095 0.000 1.055 511 N HN -0.109 nan 8.380 nan 0.000 0.515 512 D N 0.422 120.796 120.400 -0.042 0.000 2.737 512 D HA -0.157 4.484 4.640 0.001 0.000 0.243 512 D C 0.827 177.101 176.300 -0.043 0.000 1.109 512 D CA 0.365 54.347 54.000 -0.030 0.000 0.702 512 D CB -0.544 40.229 40.800 -0.045 0.000 1.068 512 D HN 0.257 nan 8.370 nan 0.000 0.432 513 R N -0.902 119.572 120.500 -0.044 0.000 2.307 513 R HA 0.417 4.758 4.340 0.001 0.000 0.200 513 R C 0.748 177.027 176.300 -0.034 0.000 0.893 513 R CA 0.917 56.991 56.100 -0.043 0.000 1.042 513 R CB 0.864 31.131 30.300 -0.054 0.000 1.059 513 R HN 0.281 nan 8.270 nan 0.000 0.530 514 A N 0.361 123.163 122.820 -0.031 0.000 2.483 514 A HA 0.552 4.873 4.320 0.001 0.000 0.286 514 A C -1.383 176.226 177.584 0.042 0.000 1.207 514 A CA -0.562 51.466 52.037 -0.016 0.000 0.764 514 A CB 1.418 20.377 19.000 -0.070 0.000 1.341 514 A HN 0.100 nan 8.150 nan 0.000 0.428 515 L N 1.843 123.102 121.223 0.059 0.000 2.433 515 L HA 0.430 4.770 4.340 0.001 0.000 0.256 515 L C -1.509 175.473 176.870 0.186 0.000 1.063 515 L CA -0.410 54.507 54.840 0.127 0.000 0.922 515 L CB -0.060 41.998 42.059 -0.002 0.000 1.238 515 L HN 0.608 nan 8.230 nan 0.000 0.466 516 I N 3.958 124.680 120.570 0.253 0.000 2.587 516 I HA 0.144 4.315 4.170 0.001 0.000 0.284 516 I C 0.571 176.725 176.117 0.063 0.000 1.134 516 I CA 0.561 61.895 61.300 0.056 0.000 1.410 516 I CB 0.813 38.752 38.000 -0.102 0.000 1.392 516 I HN 0.174 nan 8.210 nan 0.000 0.545 517 V N 4.788 124.736 119.914 0.056 0.000 3.158 517 V HA 0.992 5.113 4.120 0.001 0.000 0.315 517 V C 0.598 176.741 176.094 0.081 0.000 1.148 517 V CA -0.116 62.209 62.300 0.041 0.000 1.042 517 V CB 1.221 33.036 31.823 -0.014 0.000 1.101 517 V HN 1.121 nan 8.190 nan 0.000 0.448 518 G N 1.325 110.179 108.800 0.090 0.000 2.660 518 G HA2 -0.057 3.903 3.960 0.001 0.000 0.215 518 G HA3 -0.057 3.903 3.960 0.001 0.000 0.215 518 G C -0.166 174.831 174.900 0.162 0.000 1.345 518 G CA -0.304 44.919 45.100 0.205 0.000 0.877 518 G HN 1.359 nan 8.290 nan 0.000 0.549 519 T N -1.169 113.509 114.554 0.207 0.000 2.849 519 T HA 0.600 4.951 4.350 0.001 0.000 0.284 519 T C 0.877 175.624 174.700 0.078 0.000 1.004 519 T CA 0.147 62.331 62.100 0.139 0.000 1.021 519 T CB 1.465 70.431 68.868 0.164 0.000 1.013 519 T HN 0.826 nan 8.240 nan 0.000 0.527 520 R N 1.149 121.673 120.500 0.039 0.000 2.697 520 R HA 0.086 4.427 4.340 0.001 0.000 0.265 520 R C 1.015 177.292 176.300 -0.038 0.000 1.009 520 R CA 0.125 56.223 56.100 -0.003 0.000 1.099 520 R CB 0.113 30.410 30.300 -0.004 0.000 0.965 520 R HN 0.980 nan 8.270 nan 0.000 0.428 521 T N 0.898 115.411 114.554 -0.068 0.000 2.625 521 T HA 0.066 4.417 4.350 0.001 0.000 0.357 521 T C 1.232 175.804 174.700 -0.214 0.000 1.053 521 T CA 0.015 62.036 62.100 -0.132 0.000 1.037 521 T CB 0.395 69.194 68.868 -0.116 0.000 1.123 521 T HN 0.666 nan 8.240 nan 0.000 0.520 522 A N -0.330 122.269 122.820 -0.367 0.000 1.997 522 A HA 0.643 4.963 4.320 0.001 0.000 0.212 522 A C 1.285 178.646 177.584 -0.373 0.000 1.178 522 A CA 0.606 52.320 52.037 -0.538 0.000 0.698 522 A CB -0.495 17.853 19.000 -1.087 0.000 0.842 522 A HN 1.936 nan 8.150 nan 0.000 0.458 523 G N -1.701 106.972 108.800 -0.212 0.000 2.226 523 G HA2 0.566 4.527 3.960 0.001 0.000 0.257 523 G HA3 0.566 4.527 3.960 0.001 0.000 0.257 523 G C -0.147 174.749 174.900 -0.007 0.000 1.732 523 G CA -0.336 44.716 45.100 -0.080 0.000 0.914 523 G HN 1.369 nan 8.290 nan 0.000 0.742 524 A N 0.240 123.023 122.820 -0.061 0.000 2.688 524 A HA 0.482 4.803 4.320 0.001 0.000 0.230 524 A C 1.463 179.064 177.584 0.027 0.000 1.171 524 A CA 1.858 53.872 52.037 -0.039 0.000 0.913 524 A CB 0.032 18.913 19.000 -0.198 0.000 1.033 524 A HN 2.374 nan 8.150 nan 0.000 0.514 525 G N -1.454 107.400 108.800 0.090 0.000 2.671 525 G HA2 0.788 4.748 3.960 0.001 0.000 0.275 525 G HA3 0.788 4.748 3.960 0.001 0.000 0.275 525 G C 0.149 174.920 174.900 -0.216 0.000 1.368 525 G CA -0.228 44.880 45.100 0.013 0.000 1.044 525 G HN 2.308 nan 8.290 nan 0.000 0.543 526 G N -2.011 106.637 108.800 -0.253 0.000 2.301 526 G HA2 0.421 4.382 3.960 0.001 0.000 0.290 526 G HA3 0.421 4.382 3.960 0.001 0.000 0.290 526 G C -0.733 174.101 174.900 -0.111 0.000 1.669 526 G CA -1.063 43.813 45.100 -0.373 0.000 0.945 526 G HN 0.555 nan 8.290 nan 0.000 0.710 527 F N 0.367 120.178 119.950 -0.233 0.000 2.629 527 F HA 0.376 4.903 4.527 0.001 0.000 0.369 527 F C 1.557 177.267 175.800 -0.150 0.000 1.125 527 F CA 0.420 58.318 58.000 -0.170 0.000 1.330 527 F CB 0.545 39.404 39.000 -0.236 0.000 1.071 527 F HN 0.549 nan 8.300 nan 0.000 0.595 528 V N 0.702 120.676 119.914 0.101 0.000 2.975 528 V HA 0.576 4.697 4.120 0.001 0.000 0.318 528 V C -0.833 175.240 176.094 -0.035 0.000 1.077 528 V CA -1.212 61.148 62.300 0.100 0.000 1.000 528 V CB 1.882 33.792 31.823 0.146 0.000 1.066 528 V HN 0.529 nan 8.190 nan 0.000 0.452 529 F N 2.055 122.055 119.950 0.083 0.000 2.375 529 F HA 0.515 5.043 4.527 0.001 0.000 0.361 529 F C 0.519 176.335 175.800 0.027 0.000 1.117 529 F CA -0.555 57.472 58.000 0.046 0.000 1.037 529 F CB 1.423 40.449 39.000 0.044 0.000 1.192 529 F HN 0.514 nan 8.300 nan 0.000 0.452 530 N N 4.110 122.936 118.700 0.210 0.000 2.645 530 N HA 0.175 4.916 4.740 0.001 0.000 0.233 530 N C -0.830 174.735 175.510 0.091 0.000 1.058 530 N CA -0.043 53.066 53.050 0.100 0.000 0.942 530 N CB 1.566 40.082 38.487 0.049 0.000 1.210 530 N HN 0.198 nan 8.380 nan 0.000 0.512 531 V N 2.825 122.780 119.914 0.067 0.000 2.364 531 V HA 0.176 4.297 4.120 0.001 0.000 0.272 531 V C 0.135 176.208 176.094 -0.035 0.000 1.036 531 V CA -0.465 61.868 62.300 0.056 0.000 0.880 531 V CB 1.078 32.946 31.823 0.075 0.000 0.991 531 V HN 0.427 nan 8.190 nan 0.000 0.460 532 Q N 5.514 125.305 119.800 -0.015 0.000 2.307 532 Q HA 0.687 5.027 4.340 0.001 0.000 0.262 532 Q C -1.000 175.022 176.000 0.037 0.000 0.961 532 Q CA -0.376 55.368 55.803 -0.098 0.000 0.882 532 Q CB 2.094 30.806 28.738 -0.043 0.000 1.264 532 Q HN 0.731 nan 8.270 nan 0.000 0.446 533 F N -0.062 119.873 119.950 -0.025 0.000 2.601 533 F HA 0.674 5.202 4.527 0.001 0.000 0.309 533 F C -2.873 172.988 175.800 0.101 0.000 1.089 533 F CA -3.363 54.664 58.000 0.046 0.000 0.940 533 F CB 0.560 39.540 39.000 -0.034 0.000 1.273 533 F HN 0.267 nan 8.300 nan 0.000 0.450 534 P HA 0.197 nan 4.420 nan 0.000 0.266 534 P C -1.415 176.151 177.300 0.443 0.000 1.215 534 P CA 0.246 63.543 63.100 0.328 0.000 0.763 534 P CB 0.758 32.594 31.700 0.226 0.000 0.806 535 N N 2.024 120.906 118.700 0.305 0.000 2.732 535 N HA 0.363 5.104 4.740 0.001 0.000 0.259 535 N C 0.151 175.763 175.510 0.170 0.000 1.402 535 N CA -0.993 52.245 53.050 0.313 0.000 0.829 535 N CB 1.160 39.901 38.487 0.424 0.000 1.495 535 N HN -0.028 nan 8.380 nan 0.000 0.511 536 R N -0.581 120.011 120.500 0.153 0.000 2.507 536 R HA 0.309 4.649 4.340 0.001 0.000 0.298 536 R C -0.254 176.101 176.300 0.091 0.000 0.999 536 R CA 0.037 56.192 56.100 0.092 0.000 1.082 536 R CB -0.213 30.130 30.300 0.071 0.000 1.246 536 R HN 0.808 nan 8.270 nan 0.000 0.553 537 T N -1.434 113.200 114.554 0.133 0.000 3.275 537 T HA 0.221 4.572 4.350 0.001 0.000 0.298 537 T C 0.972 175.783 174.700 0.185 0.000 0.988 537 T CA 0.384 62.562 62.100 0.130 0.000 0.936 537 T CB 1.191 70.142 68.868 0.139 0.000 1.159 537 T HN 0.372 nan 8.240 nan 0.000 0.519 538 G N 2.030 110.956 108.800 0.210 0.000 2.176 538 G HA2 -0.235 3.726 3.960 0.001 0.000 0.253 538 G HA3 -0.235 3.726 3.960 0.001 0.000 0.253 538 G C 0.060 175.289 174.900 0.548 0.000 0.979 538 G CA -0.506 44.812 45.100 0.363 0.000 0.641 538 G HN 0.523 nan 8.290 nan 0.000 0.530 539 I N 1.849 122.622 120.570 0.339 0.000 2.725 539 I HA 0.147 4.318 4.170 0.001 0.000 0.296 539 I C 1.667 177.689 176.117 -0.159 0.000 1.155 539 I CA 0.859 62.129 61.300 -0.051 0.000 1.450 539 I CB 0.747 38.577 38.000 -0.282 0.000 1.478 539 I HN 0.305 nan 8.210 nan 0.000 0.642 540 K N 3.315 123.535 120.400 -0.301 0.000 2.002 540 K HA -0.049 4.272 4.320 0.001 0.000 0.209 540 K C 0.183 176.493 176.600 -0.483 0.000 1.048 540 K CA 1.290 57.173 56.287 -0.673 0.000 0.930 540 K CB 0.271 32.048 32.500 -1.204 0.000 0.714 540 K HN 0.621 nan 8.250 nan 0.000 0.438 541 T N -1.211 113.044 114.554 -0.498 0.000 2.853 541 T HA 0.265 4.616 4.350 0.001 0.000 0.311 541 T C -1.893 172.567 174.700 -0.401 0.000 1.307 541 T CA -0.761 61.091 62.100 -0.413 0.000 1.019 541 T CB 1.795 70.491 68.868 -0.286 0.000 1.264 541 T HN 0.237 nan 8.240 nan 0.000 0.497 542 C N 3.408 122.529 119.300 -0.299 0.000 2.381 542 C HA 0.749 5.210 4.460 0.001 0.000 0.328 542 C C -0.238 174.690 174.990 -0.103 0.000 1.190 542 C CA -0.498 58.393 59.018 -0.211 0.000 1.369 542 C CB -0.700 26.960 27.740 -0.135 0.000 2.029 542 C HN 0.924 nan 8.230 nan 0.000 0.448 543 S N 6.531 122.168 115.700 -0.105 0.000 2.429 543 S HA 0.792 5.263 4.470 0.001 0.000 0.302 543 S C -0.906 173.700 174.600 0.010 0.000 1.115 543 S CA -0.603 57.590 58.200 -0.011 0.000 1.095 543 S CB 0.897 64.091 63.200 -0.010 0.000 0.987 543 S HN 0.742 nan 8.310 nan 0.000 0.474 544 L N 2.488 123.803 121.223 0.153 0.000 2.386 544 L HA 0.445 4.786 4.340 0.001 0.000 0.271 544 L C -0.021 177.090 176.870 0.402 0.000 0.993 544 L CA -0.816 54.170 54.840 0.243 0.000 0.819 544 L CB 2.208 44.402 42.059 0.226 0.000 1.294 544 L HN 0.632 nan 8.230 nan 0.000 0.414 545 T N 1.438 116.252 114.554 0.434 0.000 2.831 545 T HA 0.074 4.425 4.350 0.001 0.000 0.291 545 T C 1.016 175.813 174.700 0.162 0.000 0.981 545 T CA 0.167 62.402 62.100 0.225 0.000 1.174 545 T CB 0.873 69.768 68.868 0.046 0.000 0.929 545 T HN 0.891 nan 8.240 nan 0.000 0.532 546 G N 1.935 110.798 108.800 0.105 0.000 3.277 546 G HA2 0.392 4.353 3.960 0.001 0.000 0.243 546 G HA3 0.392 4.353 3.960 0.001 0.000 0.243 546 G C 0.135 175.015 174.900 -0.034 0.000 1.107 546 G CA -0.301 44.861 45.100 0.103 0.000 0.771 546 G HN 0.822 nan 8.290 nan 0.000 0.544 547 S N -0.751 114.892 115.700 -0.095 0.000 2.535 547 S HA 0.694 5.165 4.470 0.001 0.000 0.272 547 S C -1.411 173.063 174.600 -0.211 0.000 1.149 547 S CA -0.791 57.336 58.200 -0.121 0.000 0.888 547 S CB 2.206 65.350 63.200 -0.093 0.000 1.110 547 S HN 0.065 nan 8.310 nan 0.000 0.463 548 L N 1.881 123.070 121.223 -0.056 0.000 2.381 548 L HA 0.818 5.159 4.340 0.001 0.000 0.268 548 L C 0.129 177.255 176.870 0.426 0.000 0.997 548 L CA -1.003 53.848 54.840 0.019 0.000 0.818 548 L CB 2.027 44.048 42.059 -0.064 0.000 1.310 548 L HN 1.118 nan 8.230 nan 0.000 0.416 549 A N 3.607 126.717 122.820 0.484 0.000 2.425 549 A HA 0.550 4.871 4.320 0.001 0.000 0.249 549 A C -0.275 177.532 177.584 0.370 0.000 1.084 549 A CA -0.265 52.023 52.037 0.418 0.000 0.781 549 A CB 0.449 19.684 19.000 0.392 0.000 1.019 549 A HN 0.462 nan 8.150 nan 0.000 0.490 550 V N 1.746 121.796 119.914 0.227 0.000 3.234 550 V HA 0.682 4.803 4.120 0.001 0.000 0.317 550 V C 0.715 176.748 176.094 -0.101 0.000 1.147 550 V CA -0.944 61.424 62.300 0.113 0.000 1.037 550 V CB 1.291 33.151 31.823 0.062 0.000 1.148 550 V HN 1.097 nan 8.190 nan 0.000 0.455 551 R N -1.001 119.395 120.500 -0.174 0.000 3.460 551 R HA 0.347 4.688 4.340 0.001 0.000 0.219 551 R C 1.412 177.603 176.300 -0.182 0.000 1.633 551 R CA -0.041 55.866 56.100 -0.321 0.000 0.940 551 R CB 0.604 30.685 30.300 -0.366 0.000 1.845 551 R HN 0.875 nan 8.270 nan 0.000 0.528 552 E N 0.534 120.638 120.200 -0.160 0.000 2.504 552 E HA -0.306 4.045 4.350 0.001 0.000 0.252 552 E C 0.955 177.463 176.600 -0.153 0.000 1.018 552 E CA 2.186 58.516 56.400 -0.117 0.000 1.151 552 E CB -0.416 29.268 29.700 -0.027 0.000 1.081 552 E HN 0.459 nan 8.360 nan 0.000 0.509 553 H N -0.572 118.476 119.070 -0.037 0.000 3.007 553 H HA 0.429 4.986 4.556 0.001 0.000 0.251 553 H C 0.210 175.540 175.328 0.003 0.000 1.188 553 H CA 0.704 56.746 56.048 -0.010 0.000 1.017 553 H CB 1.119 30.881 29.762 0.001 0.000 1.805 553 H HN 0.334 nan 8.280 nan 0.000 0.659 554 G N -0.738 108.110 108.800 0.080 0.000 2.362 554 G HA2 0.295 4.256 3.960 0.001 0.000 0.288 554 G HA3 0.295 4.256 3.960 0.001 0.000 0.288 554 G C -0.718 174.216 174.900 0.055 0.000 1.305 554 G CA -0.267 44.877 45.100 0.074 0.000 0.910 554 G HN 0.491 nan 8.290 nan 0.000 0.518 555 A N -1.036 121.833 122.820 0.082 0.000 2.511 555 A HA -0.187 4.134 4.320 0.001 0.000 0.297 555 A C 0.597 178.171 177.584 -0.018 0.000 1.476 555 A CA 1.236 53.319 52.037 0.078 0.000 0.757 555 A CB -1.926 17.177 19.000 0.171 0.000 1.072 555 A HN 2.079 nan 8.150 nan 0.000 0.413 556 F N 0.666 120.453 119.950 -0.271 0.000 2.624 556 F HA 0.251 4.779 4.527 0.001 0.000 0.352 556 F C 0.666 176.161 175.800 -0.508 0.000 1.275 556 F CA -0.150 57.658 58.000 -0.319 0.000 1.220 556 F CB -0.289 38.566 39.000 -0.241 0.000 1.674 556 F HN 0.400 nan 8.300 nan 0.000 0.683 557 I N 0.891 121.377 120.570 -0.141 0.000 4.141 557 I HA 0.132 4.303 4.170 0.001 0.000 0.195 557 I C 0.044 176.111 176.117 -0.084 0.000 0.663 557 I CA -0.475 60.616 61.300 -0.348 0.000 2.240 557 I CB -0.007 37.410 38.000 -0.973 0.000 1.157 557 I HN -0.043 nan 8.210 nan 0.000 0.408 558 E N 2.812 122.984 120.200 -0.048 0.000 2.298 558 E HA -0.207 4.144 4.350 0.001 0.000 0.235 558 E C 0.031 176.585 176.600 -0.077 0.000 1.167 558 E CA 1.034 57.436 56.400 0.005 0.000 0.708 558 E CB -1.431 28.346 29.700 0.127 0.000 1.236 558 E HN 0.832 nan 8.360 nan 0.000 0.386 559 N N -0.402 118.143 118.700 -0.258 0.000 2.462 559 N HA -0.145 4.595 4.740 0.001 0.000 0.276 559 N C -0.688 174.712 175.510 -0.184 0.000 1.596 559 N CA 0.453 53.400 53.050 -0.171 0.000 3.148 559 N CB -0.114 38.339 38.487 -0.057 0.000 1.603 559 N HN 0.190 nan 8.380 nan 0.000 1.141 560 I N 1.054 121.485 120.570 -0.231 0.000 6.568 560 I HA -0.057 4.114 4.170 0.001 0.000 0.126 560 I C -0.423 175.608 176.117 -0.143 0.000 1.827 560 I CA 0.741 61.907 61.300 -0.223 0.000 2.037 560 I CB -1.398 36.534 38.000 -0.115 0.000 3.509 560 I HN 0.599 nan 8.210 nan 0.000 0.169 561 G N 3.594 112.301 108.800 -0.154 0.000 2.351 561 G HA2 0.415 4.376 3.960 0.001 0.000 0.296 561 G HA3 0.415 4.376 3.960 0.001 0.000 0.296 561 G C -1.229 173.625 174.900 -0.076 0.000 1.685 561 G CA -0.720 44.321 45.100 -0.098 0.000 0.936 561 G HN 0.263 nan 8.290 nan 0.000 0.714 562 V N 2.714 122.587 119.914 -0.067 0.000 2.465 562 V HA 0.528 4.649 4.120 0.001 0.000 0.279 562 V C 0.119 176.171 176.094 -0.069 0.000 1.045 562 V CA -0.632 61.629 62.300 -0.065 0.000 0.938 562 V CB 1.503 33.287 31.823 -0.065 0.000 0.986 562 V HN 0.812 nan 8.190 nan 0.000 0.467 563 E N 7.136 127.287 120.200 -0.082 0.000 2.175 563 E HA 0.437 4.788 4.350 0.001 0.000 0.278 563 E C -2.804 173.713 176.600 -0.137 0.000 0.969 563 E CA -2.576 53.778 56.400 -0.077 0.000 0.796 563 E CB 1.535 31.204 29.700 -0.052 0.000 1.104 563 E HN 0.375 nan 8.360 nan 0.000 0.395 564 P HA 0.045 nan 4.420 nan 0.000 0.271 564 P C 0.578 177.817 177.300 -0.102 0.000 1.216 564 P CA -0.184 62.854 63.100 -0.103 0.000 0.776 564 P CB 0.856 32.552 31.700 -0.006 0.000 0.881 565 H N 2.101 121.164 119.070 -0.012 0.000 2.290 565 H HA -0.050 4.507 4.556 0.001 0.000 0.298 565 H C 0.884 176.205 175.328 -0.012 0.000 1.087 565 H CA 1.325 57.363 56.048 -0.017 0.000 1.291 565 H CB -0.018 29.728 29.762 -0.027 0.000 1.369 565 H HN 0.307 nan 8.280 nan 0.000 0.492 566 I N 2.877 123.520 120.570 0.121 0.000 2.287 566 I HA 0.013 4.183 4.170 0.001 0.000 0.290 566 I C 0.589 176.726 176.117 0.033 0.000 1.069 566 I CA -0.670 60.662 61.300 0.053 0.000 1.237 566 I CB 0.304 38.317 38.000 0.021 0.000 1.418 566 I HN 0.082 nan 8.210 nan 0.000 0.481 567 D N 7.406 127.826 120.400 0.033 0.000 2.455 567 D HA 0.164 4.805 4.640 0.001 0.000 0.241 567 D C -0.668 175.654 176.300 0.037 0.000 1.138 567 D CA 0.472 54.495 54.000 0.039 0.000 0.877 567 D CB 1.305 42.129 40.800 0.040 0.000 1.187 567 D HN 0.473 nan 8.370 nan 0.000 0.451 568 L N 5.693 126.950 121.223 0.058 0.000 2.811 568 L HA 0.268 4.609 4.340 0.001 0.000 0.251 568 L C -2.659 174.272 176.870 0.102 0.000 0.971 568 L CA -1.083 53.786 54.840 0.049 0.000 0.990 568 L CB 2.174 44.224 42.059 -0.016 0.000 1.320 568 L HN 0.303 nan 8.230 nan 0.000 0.473 569 P HA 0.315 nan 4.420 nan 0.000 0.293 569 P C -0.952 176.411 177.300 0.105 0.000 1.304 569 P CA -0.372 62.839 63.100 0.185 0.000 0.767 569 P CB 0.825 32.626 31.700 0.168 0.000 1.247 570 F N -0.053 119.984 119.950 0.145 0.000 2.335 570 F HA 0.190 4.718 4.527 0.001 0.000 0.365 570 F C 1.195 177.038 175.800 0.071 0.000 1.122 570 F CA -0.166 57.909 58.000 0.126 0.000 1.151 570 F CB -0.046 39.017 39.000 0.105 0.000 1.282 570 F HN 0.116 nan 8.300 nan 0.000 0.513 571 T N 0.148 114.787 114.554 0.142 0.000 2.888 571 T HA 0.290 4.641 4.350 0.001 0.000 0.301 571 T C 1.407 176.131 174.700 0.040 0.000 1.001 571 T CA -0.239 61.912 62.100 0.084 0.000 1.147 571 T CB 1.390 70.289 68.868 0.053 0.000 0.931 571 T HN 0.718 nan 8.240 nan 0.000 0.541 572 A N 3.808 126.647 122.820 0.032 0.000 2.023 572 A HA -0.276 4.045 4.320 0.001 0.000 0.223 572 A C 2.389 179.864 177.584 -0.182 0.000 1.180 572 A CA 2.088 54.102 52.037 -0.038 0.000 0.659 572 A CB -0.906 18.131 19.000 0.063 0.000 0.817 572 A HN 0.924 nan 8.150 nan 0.000 0.466 573 N N 0.058 118.700 118.700 -0.098 0.000 2.223 573 N HA -0.127 4.614 4.740 0.001 0.000 0.185 573 N C 1.118 176.551 175.510 -0.128 0.000 1.016 573 N CA 1.482 54.469 53.050 -0.104 0.000 0.863 573 N CB -0.387 38.083 38.487 -0.028 0.000 0.983 573 N HN 0.549 nan 8.380 nan 0.000 0.429 574 D N 1.324 121.655 120.400 -0.114 0.000 2.075 574 D HA -0.058 4.583 4.640 0.001 0.000 0.196 574 D C 2.211 178.264 176.300 -0.412 0.000 0.985 574 D CA 0.738 54.630 54.000 -0.182 0.000 0.834 574 D CB -0.249 40.503 40.800 -0.080 0.000 0.987 574 D HN 0.237 nan 8.370 nan 0.000 0.452 575 I N 0.965 121.295 120.570 -0.402 0.000 2.151 575 I HA -0.274 3.897 4.170 0.001 0.000 0.243 575 I C 2.706 178.548 176.117 -0.458 0.000 1.080 575 I CA 0.976 62.024 61.300 -0.420 0.000 1.339 575 I CB -0.389 37.471 38.000 -0.234 0.000 1.039 575 I HN -0.060 nan 8.210 nan 0.000 0.409 576 R N 0.574 120.656 120.500 -0.697 0.000 2.159 576 R HA -0.229 4.111 4.340 0.001 0.000 0.252 576 R C 1.074 176.983 176.300 -0.651 0.000 1.144 576 R CA 2.162 57.719 56.100 -0.905 0.000 0.961 576 R CB -0.233 29.489 30.300 -0.963 0.000 0.877 576 R HN 0.434 nan 8.270 nan 0.000 0.444 577 Y N -0.541 119.668 120.300 -0.152 0.000 2.720 577 Y HA 0.251 4.802 4.550 0.001 0.000 0.268 577 Y C -0.012 175.887 175.900 -0.002 0.000 1.142 577 Y CA -0.663 57.410 58.100 -0.046 0.000 1.193 577 Y CB 0.730 39.171 38.460 -0.031 0.000 1.176 577 Y HN 0.003 nan 8.280 nan 0.000 0.542 578 K N -0.537 119.909 120.400 0.077 0.000 2.960 578 K HA -0.261 4.059 4.320 0.001 0.000 0.259 578 K C 1.352 178.108 176.600 0.260 0.000 1.025 578 K CA 0.650 57.054 56.287 0.194 0.000 0.756 578 K CB -1.448 31.253 32.500 0.334 0.000 1.221 578 K HN 0.726 nan 8.250 nan 0.000 0.483 579 G N -0.630 108.239 108.800 0.116 0.000 2.744 579 G HA2 -0.051 3.910 3.960 0.001 0.000 0.211 579 G HA3 -0.051 3.910 3.960 0.001 0.000 0.211 579 G C 0.208 175.257 174.900 0.249 0.000 1.146 579 G CA 0.041 45.249 45.100 0.180 0.000 0.787 579 G HN 0.425 nan 8.290 nan 0.000 0.534 580 Y N 1.406 121.796 120.300 0.149 0.000 3.316 580 Y HA -0.332 4.219 4.550 0.002 0.000 0.215 580 Y C 2.437 178.427 175.900 0.150 0.000 1.138 580 Y CA 0.345 58.551 58.100 0.176 0.000 1.303 580 Y CB -2.281 36.288 38.460 0.181 0.000 1.324 580 Y HN 0.383 nan 8.280 nan 0.000 0.605 581 S N -0.924 114.880 115.700 0.173 0.000 2.359 581 S HA -0.301 4.169 4.470 0.001 0.000 0.222 581 S C 1.691 176.358 174.600 0.111 0.000 1.038 581 S CA 1.681 59.954 58.200 0.121 0.000 1.051 581 S CB -0.349 62.897 63.200 0.077 0.000 0.944 581 S HN 0.718 nan 8.310 nan 0.000 0.433 582 E N 0.292 120.551 120.200 0.098 0.000 2.072 582 E HA -0.144 4.207 4.350 0.001 0.000 0.191 582 E C 1.967 178.618 176.600 0.084 0.000 0.985 582 E CA 1.266 57.709 56.400 0.072 0.000 0.801 582 E CB -0.445 29.287 29.700 0.053 0.000 0.750 582 E HN 0.681 nan 8.360 nan 0.000 0.452 583 Y N 2.199 122.491 120.300 -0.013 0.000 2.030 583 Y HA -0.295 4.255 4.550 0.001 0.000 0.274 583 Y C 2.140 178.016 175.900 -0.040 0.000 1.153 583 Y CA 1.754 59.805 58.100 -0.082 0.000 1.115 583 Y CB -0.495 37.901 38.460 -0.106 0.000 0.969 583 Y HN -0.088 nan 8.280 nan 0.000 0.488 584 L N -0.071 121.231 121.223 0.131 0.000 1.990 584 L HA -0.308 4.032 4.340 0.001 0.000 0.213 584 L C 2.349 179.191 176.870 -0.047 0.000 1.072 584 L CA 1.707 56.558 54.840 0.019 0.000 0.755 584 L CB -0.887 41.233 42.059 0.102 0.000 0.889 584 L HN 0.259 nan 8.230 nan 0.000 0.432 585 D N 0.188 120.582 120.400 -0.010 0.000 2.127 585 D HA -0.255 4.386 4.640 0.001 0.000 0.190 585 D C 2.121 178.388 176.300 -0.055 0.000 1.000 585 D CA 1.554 55.542 54.000 -0.020 0.000 0.839 585 D CB -0.178 40.620 40.800 -0.003 0.000 0.955 585 D HN 0.060 nan 8.370 nan 0.000 0.446 586 K N 0.839 121.190 120.400 -0.082 0.000 2.160 586 K HA -0.124 4.197 4.320 0.001 0.000 0.206 586 K C 1.937 178.456 176.600 -0.134 0.000 1.047 586 K CA 0.754 56.978 56.287 -0.105 0.000 0.930 586 K CB -0.488 31.936 32.500 -0.127 0.000 0.720 586 K HN 0.042 nan 8.250 nan 0.000 0.450 587 V N 1.079 120.880 119.914 -0.187 0.000 2.229 587 V HA -0.266 3.855 4.120 0.001 0.000 0.243 587 V C 2.132 178.172 176.094 -0.091 0.000 1.042 587 V CA 2.122 64.318 62.300 -0.174 0.000 1.000 587 V CB -0.533 31.162 31.823 -0.213 0.000 0.637 587 V HN 0.325 nan 8.190 nan 0.000 0.446 588 K N 0.403 120.765 120.400 -0.064 0.000 2.052 588 K HA -0.300 4.021 4.320 0.001 0.000 0.215 588 K C 2.182 178.759 176.600 -0.038 0.000 1.053 588 K CA 2.008 58.275 56.287 -0.033 0.000 0.934 588 K CB -0.443 32.048 32.500 -0.014 0.000 0.717 588 K HN 0.433 nan 8.250 nan 0.000 0.450 589 K N 0.984 121.359 120.400 -0.041 0.000 2.000 589 K HA -0.182 4.139 4.320 0.001 0.000 0.218 589 K C 2.304 178.874 176.600 -0.050 0.000 1.053 589 K CA 1.773 58.037 56.287 -0.038 0.000 0.946 589 K CB -0.497 31.980 32.500 -0.038 0.000 0.723 589 K HN 0.062 nan 8.250 nan 0.000 0.446 590 L N 0.912 122.100 121.223 -0.059 0.000 2.051 590 L HA -0.286 4.055 4.340 0.001 0.000 0.214 590 L C 2.441 179.274 176.870 -0.063 0.000 1.076 590 L CA 1.265 56.068 54.840 -0.061 0.000 0.758 590 L CB -0.724 41.296 42.059 -0.065 0.000 0.890 590 L HN 0.063 nan 8.230 nan 0.000 0.433 591 V N -1.326 118.551 119.914 -0.060 0.000 2.255 591 V HA -0.359 3.762 4.120 0.001 0.000 0.247 591 V C 2.593 178.629 176.094 -0.096 0.000 1.051 591 V CA 2.083 64.345 62.300 -0.064 0.000 1.018 591 V CB -0.924 30.870 31.823 -0.050 0.000 0.641 591 V HN 0.570 nan 8.190 nan 0.000 0.445 592 C N -0.348 118.893 119.300 -0.098 0.000 2.401 592 C HA -0.241 4.219 4.460 0.001 0.000 0.276 592 C C 2.900 177.817 174.990 -0.122 0.000 1.233 592 C CA 1.294 60.231 59.018 -0.135 0.000 1.753 592 C CB -1.287 26.414 27.740 -0.066 0.000 2.029 592 C HN 0.611 nan 8.230 nan 0.000 0.478 593 Q N -0.010 119.741 119.800 -0.082 0.000 2.226 593 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 593 Q C 2.110 178.061 176.000 -0.082 0.000 0.975 593 Q CA 1.220 56.980 55.803 -0.070 0.000 0.866 593 Q CB -0.193 28.510 28.738 -0.058 0.000 0.915 593 Q HN 0.706 nan 8.270 nan 0.000 0.440 594 L N -0.002 121.166 121.223 -0.092 0.000 2.095 594 L HA -0.150 4.191 4.340 0.001 0.000 0.204 594 L C 2.191 178.995 176.870 -0.110 0.000 1.080 594 L CA 0.392 55.177 54.840 -0.091 0.000 0.759 594 L CB -0.398 41.613 42.059 -0.080 0.000 0.914 594 L HN 0.224 nan 8.230 nan 0.000 0.439 595 I N 0.528 121.003 120.570 -0.157 0.000 2.145 595 I HA -0.346 3.825 4.170 0.001 0.000 0.244 595 I C 1.976 177.998 176.117 -0.159 0.000 1.075 595 I CA 1.831 62.999 61.300 -0.219 0.000 1.332 595 I CB -1.600 36.115 38.000 -0.475 0.000 1.033 595 I HN 0.423 nan 8.210 nan 0.000 0.410 596 N N 0.674 119.295 118.700 -0.131 0.000 2.000 596 N HA -0.235 4.506 4.740 0.001 0.000 0.197 596 N C 1.704 177.177 175.510 -0.062 0.000 1.076 596 N CA 2.161 55.168 53.050 -0.071 0.000 0.869 596 N CB -0.145 38.311 38.487 -0.050 0.000 1.068 596 N HN 0.345 nan 8.380 nan 0.000 0.426 597 N N -0.691 117.972 118.700 -0.061 0.000 2.909 597 N HA 0.093 4.834 4.740 0.001 0.000 0.243 597 N C -1.495 173.976 175.510 -0.064 0.000 1.018 597 N CA 0.460 53.475 53.050 -0.058 0.000 1.068 597 N CB 0.929 39.387 38.487 -0.047 0.000 1.651 597 N HN 0.076 nan 8.380 nan 0.000 0.509 598 D N -1.890 118.471 120.400 -0.065 0.000 2.555 598 D HA 0.449 5.090 4.640 0.001 0.000 0.209 598 D C -1.495 174.762 176.300 -0.072 0.000 1.043 598 D CA 0.896 54.854 54.000 -0.070 0.000 0.836 598 D CB 0.659 41.419 40.800 -0.066 0.000 3.236 598 D HN 0.539 nan 8.370 nan 0.000 0.467 599 G N 1.746 110.495 108.800 -0.085 0.000 3.383 599 G HA2 0.040 4.001 3.960 0.001 0.000 0.685 599 G HA3 0.040 4.001 3.960 0.001 0.000 0.685 599 G C -0.308 174.542 174.900 -0.083 0.000 1.104 599 G CA -0.289 44.757 45.100 -0.092 0.000 0.957 599 G HN 0.457 nan 8.290 nan 0.000 0.461 600 T N 4.007 118.503 114.554 -0.096 0.000 2.739 600 T HA 0.379 4.730 4.350 0.001 0.000 0.298 600 T C 2.101 176.761 174.700 -0.066 0.000 0.929 600 T CA -0.070 61.984 62.100 -0.077 0.000 1.014 600 T CB 0.906 69.725 68.868 -0.080 0.000 0.914 600 T HN 0.423 nan 8.240 nan 0.000 0.509 601 I N 3.718 124.257 120.570 -0.051 0.000 2.036 601 I HA -0.040 4.131 4.170 0.001 0.000 0.231 601 I C 1.170 177.267 176.117 -0.033 0.000 1.044 601 I CA 1.549 62.824 61.300 -0.041 0.000 1.315 601 I CB -0.168 37.813 38.000 -0.033 0.000 1.051 601 I HN 0.576 nan 8.210 nan 0.000 0.391 602 I N -0.406 120.147 120.570 -0.028 0.000 3.023 602 I HA 0.265 4.436 4.170 0.001 0.000 0.312 602 I C -0.530 175.574 176.117 -0.022 0.000 1.056 602 I CA -0.976 60.312 61.300 -0.021 0.000 1.033 602 I CB 2.075 40.065 38.000 -0.016 0.000 1.233 602 I HN -0.039 nan 8.210 nan 0.000 0.462 603 L N 3.690 124.904 121.223 -0.016 0.000 2.282 603 L HA 0.693 5.034 4.340 0.001 0.000 0.287 603 L C -0.324 176.537 176.870 -0.015 0.000 1.075 603 L CA 0.286 55.116 54.840 -0.016 0.000 0.839 603 L CB -0.081 41.972 42.059 -0.009 0.000 1.219 603 L HN 0.802 nan 8.230 nan 0.000 0.434 604 A N 0.000 122.808 122.820 -0.019 0.000 2.254 604 A HA 0.000 4.321 4.320 0.001 0.000 0.244 604 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 604 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 604 A HN 0.000 nan 8.150 nan 0.000 0.486