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 1it8_1_B DATA FIRST_RESID 6 DATA SEQUENCE KMLKFEIKAR DGAGRIGKLE VNGKKIETPA IMPVVNPKQM VVEPKELEKM DATA SEQUENCE GFEIIITNSY IIYKDEELRR KALELGIHRM LDYNGIIEVD SGSFQLMKYG DATA SEQUENCE SIEVSNREII EFQHRIGVDI GTFLDIPTPP DAPREQAVKE LEITLSRARE DATA SEQUENCE AEEIKEIPMN ATIQGSTYTD LRRYAARRLS SMNFEIHPIG GVVPLLESYR DATA SEQUENCE FRDVVDIVIS SKMALRPDRP VHLFGAGHPI VFALAVAMGV DLFDSASYAL DATA SEQUENCE YAKDDRYMTP EGTKRLDELD YFPCSCPVCS KYTPQELREM PKEERTRLLA DATA SEQUENCE LHNLWVIKEE IKRVKQAIKE GELWRLVDER ARSHPKLYSA YKRLLEHYTF DATA SEQUENCE LEEFEPITKK SALFKISNES LRWPVVRRAK ERAKSINERF GELVEHPIFG DATA SEQUENCE RVSRYLSLTY PFAQSEAEDD FKIEKPTKED AIKYVMAIAE YQFGEGASRA DATA SEQUENCE FDDAKVELSK TGMPRQVKVN GKRLATVRAD DGLLTLGIEG AKRLHRVLPY DATA SEQUENCE PRMRVVVNKE AEPFARKGKD VFAKFVIFAD PGIRPYDEVL VVNENDELLA DATA SEQUENCE TGQALLSGRE MIVFQYGRAV KVRKGVE 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.639 176.600 0.065 0.000 0.988 6 K CA 0.000 56.343 56.287 0.094 0.000 0.838 6 K CB 0.000 32.541 32.500 0.068 0.000 1.064 7 M N -0.341 119.280 119.600 0.035 0.000 2.333 7 M HA 0.330 4.810 4.480 0.001 0.000 0.257 7 M C 0.055 176.359 176.300 0.006 0.000 1.078 7 M CA -0.099 55.212 55.300 0.020 0.000 1.005 7 M CB 0.293 32.902 32.600 0.015 0.000 1.444 7 M HN -0.059 nan 8.290 nan 0.000 0.496 8 L N 1.457 122.674 121.223 -0.009 0.000 2.516 8 L HA 0.595 4.935 4.340 0.001 0.000 0.267 8 L C -1.637 175.151 176.870 -0.137 0.000 0.957 8 L CA -0.638 54.172 54.840 -0.049 0.000 0.860 8 L CB 2.058 44.092 42.059 -0.042 0.000 1.265 8 L HN 0.093 nan 8.230 nan 0.000 0.403 9 K N 4.396 124.670 120.400 -0.210 0.000 2.123 9 K HA 0.681 5.001 4.320 0.001 0.000 0.259 9 K C -1.631 174.834 176.600 -0.225 0.000 0.960 9 K CA -0.560 55.416 56.287 -0.520 0.000 0.872 9 K CB 2.188 34.391 32.500 -0.494 0.000 1.079 9 K HN 0.489 nan 8.250 nan 0.000 0.440 10 F N 1.637 121.313 119.950 -0.455 0.000 2.607 10 F HA 0.280 4.808 4.527 0.001 0.000 0.322 10 F C -1.202 174.582 175.800 -0.027 0.000 1.176 10 F CA -0.548 57.350 58.000 -0.169 0.000 0.977 10 F CB 1.672 40.619 39.000 -0.089 0.000 1.242 10 F HN 0.531 nan 8.300 nan 0.000 0.465 11 E N 5.723 125.529 120.200 -0.657 0.000 2.317 11 E HA 0.508 4.859 4.350 0.001 0.000 0.270 11 E C -1.226 174.944 176.600 -0.717 0.000 0.885 11 E CA -0.875 55.211 56.400 -0.524 0.000 0.760 11 E CB 2.059 31.601 29.700 -0.263 0.000 1.227 11 E HN 0.649 nan 8.360 nan 0.000 0.434 12 I N 4.704 124.902 120.570 -0.621 0.000 2.308 12 I HA 0.088 4.258 4.170 0.001 0.000 0.293 12 I C 1.067 176.986 176.117 -0.329 0.000 1.078 12 I CA 0.108 61.120 61.300 -0.480 0.000 1.292 12 I CB 0.666 38.391 38.000 -0.458 0.000 1.423 12 I HN 0.465 nan 8.210 nan 0.000 0.493 13 K N 4.796 125.048 120.400 -0.247 0.000 2.137 13 K HA 0.238 4.558 4.320 0.001 0.000 0.202 13 K C 0.601 177.126 176.600 -0.125 0.000 1.052 13 K CA 0.579 56.764 56.287 -0.170 0.000 0.961 13 K CB 0.245 32.666 32.500 -0.130 0.000 0.741 13 K HN 0.700 nan 8.250 nan 0.000 0.452 14 A N 1.087 123.841 122.820 -0.109 0.000 2.599 14 A HA 0.676 4.996 4.320 0.001 0.000 0.290 14 A C -1.425 176.126 177.584 -0.055 0.000 1.101 14 A CA -0.970 51.031 52.037 -0.060 0.000 0.674 14 A CB 1.374 20.344 19.000 -0.049 0.000 1.277 14 A HN 0.257 nan 8.150 nan 0.000 0.419 15 R N 0.111 120.600 120.500 -0.018 0.000 2.728 15 R HA 0.788 5.128 4.340 0.001 0.000 0.274 15 R C -2.368 173.923 176.300 -0.015 0.000 1.030 15 R CA -0.666 55.421 56.100 -0.021 0.000 0.876 15 R CB 1.610 31.907 30.300 -0.005 0.000 1.259 15 R HN 0.653 nan 8.270 nan 0.000 0.468 16 D N -0.834 119.542 120.400 -0.040 0.000 2.745 16 D HA 0.445 5.085 4.640 0.001 0.000 0.221 16 D C 0.320 176.569 176.300 -0.085 0.000 1.237 16 D CA 1.114 55.081 54.000 -0.055 0.000 0.781 16 D CB 1.970 42.703 40.800 -0.111 0.000 1.575 16 D HN 0.910 nan 8.370 nan 0.000 0.482 17 G N 1.782 110.583 108.800 0.002 0.000 2.594 17 G HA2 -0.064 3.897 3.960 0.001 0.000 0.297 17 G HA3 -0.064 3.897 3.960 0.001 0.000 0.297 17 G C 0.844 175.785 174.900 0.067 0.000 1.273 17 G CA 0.812 45.955 45.100 0.072 0.000 0.974 17 G HN 1.299 nan 8.290 nan 0.000 0.552 18 A N 0.470 123.311 122.820 0.035 0.000 2.307 18 A HA 0.642 4.962 4.320 0.001 0.000 0.218 18 A C 1.399 178.925 177.584 -0.096 0.000 1.228 18 A CA 1.507 53.531 52.037 -0.022 0.000 0.857 18 A CB -0.533 18.500 19.000 0.056 0.000 0.897 18 A HN 2.054 nan 8.150 nan 0.000 0.495 19 G N 0.256 108.995 108.800 -0.101 0.000 2.502 19 G HA2 0.586 4.546 3.960 0.001 0.000 0.305 19 G HA3 0.586 4.546 3.960 0.001 0.000 0.305 19 G C -0.233 174.622 174.900 -0.074 0.000 1.190 19 G CA -0.740 44.303 45.100 -0.094 0.000 0.933 19 G HN 0.689 nan 8.290 nan 0.000 0.503 20 R N -0.560 119.911 120.500 -0.048 0.000 2.644 20 R HA 0.327 4.668 4.340 0.001 0.000 0.257 20 R C -1.690 174.597 176.300 -0.023 0.000 1.082 20 R CA -0.896 55.179 56.100 -0.041 0.000 0.927 20 R CB 0.857 31.136 30.300 -0.035 0.000 1.258 20 R HN 0.380 nan 8.270 nan 0.000 0.459 21 I N 1.849 122.390 120.570 -0.050 0.000 2.342 21 I HA 0.508 4.678 4.170 0.001 0.000 0.291 21 I C 0.501 176.571 176.117 -0.079 0.000 1.010 21 I CA -0.244 61.028 61.300 -0.047 0.000 1.308 21 I CB 1.743 39.708 38.000 -0.058 0.000 1.400 21 I HN 0.857 nan 8.210 nan 0.000 0.488 22 G N 4.866 113.641 108.800 -0.042 0.000 2.605 22 G HA2 0.482 4.442 3.960 0.001 0.000 0.296 22 G HA3 0.482 4.442 3.960 0.001 0.000 0.296 22 G C -1.530 173.320 174.900 -0.083 0.000 1.304 22 G CA -0.677 44.334 45.100 -0.148 0.000 0.941 22 G HN 0.500 nan 8.290 nan 0.000 0.475 23 K N 0.686 120.974 120.400 -0.186 0.000 2.293 23 K HA 0.552 4.872 4.320 0.001 0.000 0.267 23 K C -1.240 175.355 176.600 -0.009 0.000 1.010 23 K CA -0.608 55.625 56.287 -0.090 0.000 0.875 23 K CB 1.233 33.661 32.500 -0.121 0.000 1.106 23 K HN 0.367 nan 8.250 nan 0.000 0.450 24 L N 4.207 125.479 121.223 0.081 0.000 2.342 24 L HA 0.407 4.747 4.340 0.001 0.000 0.276 24 L C -1.121 175.765 176.870 0.028 0.000 0.997 24 L CA -0.350 54.570 54.840 0.133 0.000 0.838 24 L CB 1.317 43.468 42.059 0.155 0.000 1.224 24 L HN 0.723 nan 8.230 nan 0.000 0.416 25 E N 4.361 124.558 120.200 -0.006 0.000 2.158 25 E HA 0.578 4.928 4.350 0.001 0.000 0.271 25 E C -1.873 174.713 176.600 -0.024 0.000 0.911 25 E CA -0.629 55.758 56.400 -0.023 0.000 0.767 25 E CB 2.123 31.801 29.700 -0.037 0.000 1.120 25 E HN 0.448 nan 8.360 nan 0.000 0.405 26 V N 4.962 124.870 119.914 -0.011 0.000 2.733 26 V HA 0.171 4.291 4.120 0.001 0.000 0.306 26 V C -0.348 175.749 176.094 0.004 0.000 1.084 26 V CA -0.781 61.517 62.300 -0.003 0.000 0.905 26 V CB 1.767 33.594 31.823 0.006 0.000 1.010 26 V HN 0.966 nan 8.190 nan 0.000 0.424 27 N N 3.384 122.087 118.700 0.005 0.000 2.714 27 N HA -0.201 4.539 4.740 0.001 0.000 0.250 27 N C 1.047 176.547 175.510 -0.017 0.000 1.117 27 N CA 1.968 55.017 53.050 -0.001 0.000 0.719 27 N CB -0.932 37.560 38.487 0.009 0.000 1.081 27 N HN 1.640 nan 8.380 nan 0.000 0.557 28 G N -1.695 107.096 108.800 -0.015 0.000 2.162 28 G HA2 -0.377 3.584 3.960 0.001 0.000 0.260 28 G HA3 -0.377 3.584 3.960 0.001 0.000 0.260 28 G C -0.026 174.857 174.900 -0.027 0.000 0.976 28 G CA 0.811 45.898 45.100 -0.021 0.000 0.655 28 G HN 0.508 nan 8.290 nan 0.000 0.533 29 K N 0.382 120.768 120.400 -0.023 0.000 2.159 29 K HA 0.571 4.891 4.320 0.001 0.000 0.266 29 K C 0.067 176.655 176.600 -0.019 0.000 0.975 29 K CA -0.514 55.758 56.287 -0.026 0.000 0.865 29 K CB 1.434 33.923 32.500 -0.019 0.000 1.087 29 K HN 0.138 nan 8.250 nan 0.000 0.446 30 K N 2.072 122.457 120.400 -0.025 0.000 2.259 30 K HA 0.534 4.855 4.320 0.001 0.000 0.252 30 K C -0.970 175.618 176.600 -0.021 0.000 0.936 30 K CA -0.967 55.306 56.287 -0.022 0.000 0.810 30 K CB 1.578 34.061 32.500 -0.028 0.000 1.143 30 K HN 0.362 nan 8.250 nan 0.000 0.427 31 I N 0.241 120.803 120.570 -0.013 0.000 2.913 31 I HA 0.245 4.416 4.170 0.001 0.000 0.302 31 I C -1.306 174.805 176.117 -0.010 0.000 1.246 31 I CA -0.528 60.763 61.300 -0.014 0.000 1.010 31 I CB 2.309 40.306 38.000 -0.004 0.000 1.259 31 I HN 0.695 nan 8.210 nan 0.000 0.434 32 E N 2.715 122.903 120.200 -0.021 0.000 2.227 32 E HA 0.723 5.073 4.350 0.001 0.000 0.268 32 E C -1.208 175.389 176.600 -0.006 0.000 0.990 32 E CA -0.515 55.874 56.400 -0.018 0.000 0.856 32 E CB 1.291 30.969 29.700 -0.037 0.000 1.159 32 E HN 0.735 nan 8.360 nan 0.000 0.401 33 T N 0.357 114.922 114.554 0.019 0.000 2.916 33 T HA 0.523 4.873 4.350 0.001 0.000 0.292 33 T C -2.751 171.955 174.700 0.009 0.000 1.055 33 T CA -2.336 59.777 62.100 0.022 0.000 1.009 33 T CB 1.542 70.460 68.868 0.085 0.000 1.118 33 T HN 0.192 nan 8.240 nan 0.000 0.497 34 P HA 0.458 nan 4.420 nan 0.000 0.266 34 P C -1.123 176.155 177.300 -0.038 0.000 1.195 34 P CA -0.136 62.964 63.100 0.001 0.000 0.768 34 P CB 0.353 32.078 31.700 0.042 0.000 0.838 35 A N 3.120 125.914 122.820 -0.044 0.000 2.475 35 A HA 0.697 5.017 4.320 0.001 0.000 0.301 35 A C -1.363 176.176 177.584 -0.074 0.000 1.059 35 A CA -0.577 51.420 52.037 -0.067 0.000 0.710 35 A CB 1.039 20.004 19.000 -0.059 0.000 1.288 35 A HN 0.514 nan 8.150 nan 0.000 0.408 36 I N 2.703 123.223 120.570 -0.084 0.000 2.382 36 I HA 0.548 4.719 4.170 0.001 0.000 0.286 36 I C -0.082 175.985 176.117 -0.084 0.000 1.002 36 I CA -0.876 60.362 61.300 -0.104 0.000 1.135 36 I CB 1.217 39.106 38.000 -0.186 0.000 1.288 36 I HN 0.669 nan 8.210 nan 0.000 0.448 37 M N 8.119 127.644 119.600 -0.125 0.000 2.084 37 M HA 0.621 5.101 4.480 0.001 0.000 0.351 37 M C -2.632 173.547 176.300 -0.202 0.000 1.240 37 M CA -1.569 53.653 55.300 -0.130 0.000 1.083 37 M CB 0.456 33.000 32.600 -0.093 0.000 1.593 37 M HN 0.272 nan 8.290 nan 0.000 0.463 38 P HA 0.091 nan 4.420 nan 0.000 0.267 38 P C -0.482 176.706 177.300 -0.187 0.000 1.205 38 P CA -0.203 62.611 63.100 -0.476 0.000 0.765 38 P CB 0.697 31.852 31.700 -0.909 0.000 0.828 39 V N 5.365 125.275 119.914 -0.007 0.000 2.508 39 V HA 0.062 4.183 4.120 0.001 0.000 0.281 39 V C 0.442 176.560 176.094 0.040 0.000 1.041 39 V CA 0.123 62.438 62.300 0.025 0.000 1.016 39 V CB 0.966 32.815 31.823 0.042 0.000 0.984 39 V HN 0.233 nan 8.190 nan 0.000 0.478 40 V N 5.529 125.432 119.914 -0.019 0.000 2.357 40 V HA 0.290 4.411 4.120 0.001 0.000 0.284 40 V C 0.306 176.394 176.094 -0.011 0.000 1.018 40 V CA -0.731 61.555 62.300 -0.024 0.000 0.841 40 V CB 1.339 33.109 31.823 -0.088 0.000 0.991 40 V HN 0.945 nan 8.190 nan 0.000 0.437 41 N N 6.009 124.707 118.700 -0.004 0.000 2.420 41 N HA 0.166 4.907 4.740 0.001 0.000 0.262 41 N C -1.686 173.827 175.510 0.004 0.000 1.144 41 N CA -1.397 51.657 53.050 0.005 0.000 0.952 41 N CB 1.755 40.242 38.487 0.000 0.000 1.081 41 N HN 0.291 nan 8.380 nan 0.000 0.480 42 P HA -0.210 nan 4.420 nan 0.000 0.216 42 P C 0.391 177.698 177.300 0.011 0.000 1.154 42 P CA 1.578 64.687 63.100 0.016 0.000 0.865 42 P CB 0.296 32.014 31.700 0.029 0.000 0.789 43 K N -0.645 119.760 120.400 0.008 0.000 2.015 43 K HA -0.010 4.311 4.320 0.001 0.000 0.215 43 K C 1.197 177.798 176.600 0.003 0.000 1.027 43 K CA 0.391 56.681 56.287 0.004 0.000 0.960 43 K CB -0.618 31.882 32.500 0.000 0.000 0.798 43 K HN 0.050 nan 8.250 nan 0.000 0.447 44 Q N 0.969 120.769 119.800 0.000 0.000 2.332 44 Q HA 0.114 4.455 4.340 0.001 0.000 0.263 44 Q C -0.934 175.061 176.000 -0.008 0.000 0.979 44 Q CA 0.389 56.190 55.803 -0.004 0.000 0.885 44 Q CB 0.537 29.271 28.738 -0.006 0.000 1.218 44 Q HN 0.233 nan 8.270 nan 0.000 0.405 45 M N 4.561 124.158 119.600 -0.005 0.000 1.956 45 M HA 0.123 4.604 4.480 0.001 0.000 0.256 45 M C 0.414 176.714 176.300 -0.001 0.000 0.869 45 M CA -0.358 54.940 55.300 -0.004 0.000 0.886 45 M CB 1.461 34.065 32.600 0.006 0.000 1.739 45 M HN 0.500 nan 8.290 nan 0.000 0.381 46 V N 1.276 121.177 119.914 -0.021 0.000 2.282 46 V HA -0.142 3.979 4.120 0.001 0.000 0.249 46 V C 0.775 176.885 176.094 0.026 0.000 1.057 46 V CA 1.537 63.828 62.300 -0.014 0.000 1.032 46 V CB -0.207 31.578 31.823 -0.064 0.000 0.645 46 V HN 0.659 nan 8.190 nan 0.000 0.447 47 V N 0.888 120.834 119.914 0.052 0.000 2.482 47 V HA 0.397 4.518 4.120 0.001 0.000 0.295 47 V C -0.183 175.947 176.094 0.060 0.000 1.026 47 V CA -0.903 61.443 62.300 0.077 0.000 0.856 47 V CB 1.641 33.540 31.823 0.125 0.000 1.001 47 V HN 0.407 nan 8.190 nan 0.000 0.424 48 E N 6.799 127.029 120.200 0.051 0.000 2.502 48 E HA 0.043 4.393 4.350 0.001 0.000 0.261 48 E C -1.846 174.781 176.600 0.044 0.000 0.974 48 E CA -1.038 55.388 56.400 0.044 0.000 0.936 48 E CB 0.962 30.693 29.700 0.053 0.000 0.926 48 E HN 0.545 nan 8.360 nan 0.000 0.459 49 P HA -0.247 nan 4.420 nan 0.000 0.216 49 P C 1.332 178.740 177.300 0.180 0.000 1.153 49 P CA 2.001 65.107 63.100 0.009 0.000 0.858 49 P CB 0.104 31.775 31.700 -0.048 0.000 0.789 50 K N -0.168 120.333 120.400 0.169 0.000 2.152 50 K HA -0.199 4.121 4.320 0.001 0.000 0.206 50 K C 2.031 178.710 176.600 0.131 0.000 1.048 50 K CA 1.532 57.917 56.287 0.163 0.000 0.933 50 K CB -0.651 31.914 32.500 0.108 0.000 0.721 50 K HN 0.152 nan 8.250 nan 0.000 0.447 51 E N 1.216 121.482 120.200 0.110 0.000 2.028 51 E HA -0.063 4.287 4.350 0.001 0.000 0.190 51 E C 2.120 178.787 176.600 0.112 0.000 0.984 51 E CA 0.689 57.146 56.400 0.095 0.000 0.800 51 E CB -0.020 29.730 29.700 0.083 0.000 0.758 51 E HN 0.283 nan 8.360 nan 0.000 0.448 52 L N 0.905 122.206 121.223 0.130 0.000 2.081 52 L HA -0.245 4.095 4.340 0.001 0.000 0.212 52 L C 2.603 179.651 176.870 0.296 0.000 1.080 52 L CA 1.467 56.434 54.840 0.213 0.000 0.754 52 L CB -0.371 41.728 42.059 0.067 0.000 0.893 52 L HN 0.268 nan 8.230 nan 0.000 0.433 53 E N 0.296 120.663 120.200 0.278 0.000 2.072 53 E HA -0.220 4.130 4.350 0.001 0.000 0.191 53 E C 2.190 178.822 176.600 0.052 0.000 0.985 53 E CA 1.005 57.536 56.400 0.219 0.000 0.801 53 E CB 0.159 29.959 29.700 0.168 0.000 0.750 53 E HN 0.356 nan 8.360 nan 0.000 0.452 54 K N -0.041 120.387 120.400 0.046 0.000 2.057 54 K HA -0.110 4.211 4.320 0.001 0.000 0.207 54 K C 2.207 178.776 176.600 -0.053 0.000 1.049 54 K CA 1.464 57.753 56.287 0.004 0.000 0.931 54 K CB -0.101 32.419 32.500 0.032 0.000 0.714 54 K HN 0.250 nan 8.250 nan 0.000 0.440 55 M N -1.014 118.537 119.600 -0.083 0.000 2.267 55 M HA -0.133 4.348 4.480 0.001 0.000 0.263 55 M C 1.208 177.222 176.300 -0.476 0.000 1.063 55 M CA 1.744 56.881 55.300 -0.272 0.000 1.090 55 M CB 0.144 32.562 32.600 -0.302 0.000 1.392 55 M HN 0.558 nan 8.290 nan 0.000 0.422 56 G N -0.900 107.650 108.800 -0.417 0.000 2.370 56 G HA2 -0.138 3.822 3.960 0.001 0.000 0.174 56 G HA3 -0.138 3.822 3.960 0.001 0.000 0.174 56 G C -0.216 174.380 174.900 -0.507 0.000 1.002 56 G CA -0.791 44.027 45.100 -0.470 0.000 0.730 56 G HN 0.316 nan 8.290 nan 0.000 0.497 57 F N 2.196 122.095 119.950 -0.086 0.000 2.439 57 F HA 0.452 4.980 4.527 0.001 0.000 0.356 57 F C 1.362 177.215 175.800 0.088 0.000 1.161 57 F CA -0.463 57.509 58.000 -0.046 0.000 1.151 57 F CB 1.047 39.986 39.000 -0.103 0.000 1.222 57 F HN -0.103 nan 8.300 nan 0.000 0.558 58 E N 2.777 123.064 120.200 0.145 0.000 2.481 58 E HA 0.129 4.479 4.350 0.001 0.000 0.195 58 E C 0.201 176.938 176.600 0.228 0.000 1.047 58 E CA 0.375 56.845 56.400 0.116 0.000 0.867 58 E CB 0.529 30.232 29.700 0.006 0.000 0.858 58 E HN 0.579 nan 8.360 nan 0.000 0.513 59 I N 0.531 121.260 120.570 0.266 0.000 2.686 59 I HA 0.361 4.531 4.170 0.001 0.000 0.295 59 I C -1.258 174.925 176.117 0.110 0.000 1.114 59 I CA -1.086 60.342 61.300 0.213 0.000 1.038 59 I CB 1.518 39.565 38.000 0.078 0.000 1.238 59 I HN -0.141 nan 8.210 nan 0.000 0.420 60 I N 5.110 125.683 120.570 0.005 0.000 3.095 60 I HA 0.632 4.802 4.170 0.001 0.000 0.310 60 I C -1.918 174.134 176.117 -0.108 0.000 1.196 60 I CA -0.846 60.348 61.300 -0.176 0.000 0.985 60 I CB 2.293 39.989 38.000 -0.505 0.000 1.250 60 I HN 0.628 nan 8.210 nan 0.000 0.446 61 I N 1.764 122.278 120.570 -0.093 0.000 2.647 61 I HA 0.683 4.854 4.170 0.001 0.000 0.295 61 I C -0.921 175.180 176.117 -0.026 0.000 1.078 61 I CA 0.049 61.335 61.300 -0.023 0.000 1.048 61 I CB 2.341 40.375 38.000 0.055 0.000 1.239 61 I HN 0.927 nan 8.210 nan 0.000 0.421 62 T N 3.745 118.297 114.554 -0.003 0.000 2.858 62 T HA 0.362 4.712 4.350 0.001 0.000 0.285 62 T C -0.598 174.132 174.700 0.050 0.000 1.052 62 T CA -0.779 61.327 62.100 0.011 0.000 1.009 62 T CB 1.125 69.993 68.868 0.001 0.000 1.241 62 T HN 0.502 nan 8.240 nan 0.000 0.542 63 N N 1.552 120.293 118.700 0.068 0.000 2.699 63 N HA 0.159 4.899 4.740 0.001 0.000 0.232 63 N C 1.390 176.985 175.510 0.143 0.000 1.027 63 N CA -0.109 53.004 53.050 0.105 0.000 0.920 63 N CB 0.961 39.515 38.487 0.113 0.000 1.148 63 N HN 0.685 nan 8.380 nan 0.000 0.509 64 S N 2.970 118.771 115.700 0.168 0.000 2.374 64 S HA -0.255 4.216 4.470 0.001 0.000 0.227 64 S C 1.879 176.643 174.600 0.273 0.000 1.037 64 S CA 0.856 59.211 58.200 0.258 0.000 1.024 64 S CB -0.693 62.667 63.200 0.267 0.000 0.861 64 S HN 0.665 nan 8.310 nan 0.000 0.456 65 Y N 2.296 122.645 120.300 0.082 0.000 2.207 65 Y HA -0.053 4.498 4.550 0.001 0.000 0.287 65 Y C 1.951 177.904 175.900 0.087 0.000 1.156 65 Y CA 1.147 59.273 58.100 0.043 0.000 1.182 65 Y CB -0.528 37.938 38.460 0.009 0.000 0.979 65 Y HN 0.314 nan 8.280 nan 0.000 0.521 66 I N -0.535 120.007 120.570 -0.047 0.000 2.439 66 I HA -0.280 3.891 4.170 0.001 0.000 0.251 66 I C 2.205 178.273 176.117 -0.082 0.000 1.139 66 I CA 1.095 62.309 61.300 -0.143 0.000 1.438 66 I CB -0.262 37.731 38.000 -0.011 0.000 1.085 66 I HN 0.199 nan 8.210 nan 0.000 0.427 67 I N -0.502 120.095 120.570 0.044 0.000 2.394 67 I HA -0.301 3.870 4.170 0.001 0.000 0.251 67 I C 2.513 178.658 176.117 0.047 0.000 1.136 67 I CA 1.318 62.687 61.300 0.114 0.000 1.425 67 I CB -0.345 37.820 38.000 0.275 0.000 1.079 67 I HN 0.222 nan 8.210 nan 0.000 0.425 68 Y N 2.081 122.227 120.300 -0.256 0.000 2.133 68 Y HA -0.118 4.432 4.550 0.001 0.000 0.287 68 Y C 2.074 177.736 175.900 -0.397 0.000 1.134 68 Y CA 1.474 59.212 58.100 -0.603 0.000 1.133 68 Y CB 0.056 38.149 38.460 -0.612 0.000 0.987 68 Y HN -0.138 nan 8.280 nan 0.000 0.502 69 K N 1.305 121.533 120.400 -0.286 0.000 2.632 69 K HA -0.037 4.284 4.320 0.001 0.000 0.196 69 K C -0.641 175.815 176.600 -0.241 0.000 1.023 69 K CA 0.458 56.557 56.287 -0.313 0.000 1.098 69 K CB -0.753 31.499 32.500 -0.413 0.000 0.862 69 K HN 0.365 nan 8.250 nan 0.000 0.504 70 D N 0.504 120.778 120.400 -0.210 0.000 2.686 70 D HA 0.080 4.721 4.640 0.001 0.000 0.249 70 D C 0.455 176.688 176.300 -0.111 0.000 1.260 70 D CA -0.099 53.822 54.000 -0.133 0.000 0.910 70 D CB 1.190 41.938 40.800 -0.086 0.000 1.323 70 D HN -0.070 nan 8.370 nan 0.000 0.561 71 E N 2.024 122.164 120.200 -0.100 0.000 2.049 71 E HA -0.220 4.130 4.350 0.001 0.000 0.198 71 E C 1.201 177.780 176.600 -0.035 0.000 1.007 71 E CA 1.168 57.523 56.400 -0.074 0.000 0.809 71 E CB 0.340 30.003 29.700 -0.060 0.000 0.749 71 E HN 0.543 nan 8.360 nan 0.000 0.450 72 E N 0.532 120.716 120.200 -0.027 0.000 2.021 72 E HA -0.216 4.135 4.350 0.001 0.000 0.200 72 E C 2.262 178.869 176.600 0.012 0.000 1.015 72 E CA 1.130 57.526 56.400 -0.007 0.000 0.824 72 E CB -0.399 29.296 29.700 -0.008 0.000 0.762 72 E HN 0.132 nan 8.360 nan 0.000 0.454 73 L N 0.674 121.906 121.223 0.015 0.000 2.017 73 L HA -0.133 4.207 4.340 0.001 0.000 0.208 73 L C 2.625 179.555 176.870 0.100 0.000 1.073 73 L CA 1.514 56.384 54.840 0.050 0.000 0.745 73 L CB -0.950 41.137 42.059 0.047 0.000 0.894 73 L HN 0.087 nan 8.230 nan 0.000 0.432 74 R N -0.217 120.339 120.500 0.093 0.000 2.113 74 R HA -0.249 4.091 4.340 0.001 0.000 0.244 74 R C 2.521 178.923 176.300 0.171 0.000 1.142 74 R CA 1.938 58.150 56.100 0.187 0.000 0.953 74 R CB -0.227 30.066 30.300 -0.012 0.000 0.860 74 R HN 0.300 nan 8.270 nan 0.000 0.438 75 R N 0.823 121.371 120.500 0.080 0.000 2.096 75 R HA -0.177 4.164 4.340 0.001 0.000 0.229 75 R C 1.954 178.290 176.300 0.060 0.000 1.134 75 R CA 2.236 58.371 56.100 0.059 0.000 0.917 75 R CB -0.271 30.047 30.300 0.030 0.000 0.832 75 R HN 0.180 nan 8.270 nan 0.000 0.430 76 K N -0.023 120.408 120.400 0.051 0.000 2.218 76 K HA -0.167 4.153 4.320 0.001 0.000 0.205 76 K C 2.060 178.687 176.600 0.045 0.000 1.046 76 K CA 1.391 57.704 56.287 0.044 0.000 0.933 76 K CB -0.156 32.368 32.500 0.039 0.000 0.728 76 K HN 0.359 nan 8.250 nan 0.000 0.454 77 A N 1.399 124.257 122.820 0.064 0.000 1.855 77 A HA -0.100 4.221 4.320 0.001 0.000 0.215 77 A C 2.124 179.699 177.584 -0.014 0.000 1.191 77 A CA 1.080 53.137 52.037 0.032 0.000 0.613 77 A CB -0.565 18.483 19.000 0.079 0.000 0.829 77 A HN 0.139 nan 8.150 nan 0.000 0.442 78 L N -0.924 120.308 121.223 0.014 0.000 2.093 78 L HA -0.175 4.166 4.340 0.001 0.000 0.208 78 L C 2.627 179.505 176.870 0.013 0.000 1.085 78 L CA 1.669 56.509 54.840 -0.000 0.000 0.755 78 L CB -0.446 41.650 42.059 0.061 0.000 0.904 78 L HN 0.476 nan 8.230 nan 0.000 0.435 79 E N 0.791 121.007 120.200 0.027 0.000 2.031 79 E HA -0.176 4.175 4.350 0.001 0.000 0.193 79 E C 1.851 178.465 176.600 0.023 0.000 0.994 79 E CA 1.481 57.896 56.400 0.025 0.000 0.800 79 E CB 0.010 29.727 29.700 0.028 0.000 0.752 79 E HN 0.460 nan 8.360 nan 0.000 0.447 80 L N -1.781 119.457 121.223 0.025 0.000 2.731 80 L HA 0.454 4.794 4.340 0.001 0.000 0.240 80 L C 0.742 177.636 176.870 0.040 0.000 1.120 80 L CA -0.136 54.723 54.840 0.032 0.000 0.913 80 L CB 0.136 42.218 42.059 0.038 0.000 1.213 80 L HN 0.198 nan 8.230 nan 0.000 0.515 81 G N 2.086 110.899 108.800 0.021 0.000 3.129 81 G HA2 -0.226 3.734 3.960 0.001 0.000 0.686 81 G HA3 -0.226 3.734 3.960 0.001 0.000 0.686 81 G C 0.513 175.432 174.900 0.032 0.000 0.989 81 G CA -0.142 44.971 45.100 0.022 0.000 0.810 81 G HN 0.298 nan 8.290 nan 0.000 0.539 82 I N -0.515 120.040 120.570 -0.025 0.000 2.354 82 I HA -0.316 3.855 4.170 0.001 0.000 0.258 82 I C 1.979 178.067 176.117 -0.048 0.000 1.111 82 I CA 2.405 63.673 61.300 -0.054 0.000 1.390 82 I CB -0.853 37.078 38.000 -0.114 0.000 1.072 82 I HN 0.708 nan 8.210 nan 0.000 0.441 83 H N 1.008 120.110 119.070 0.054 0.000 2.353 83 H HA 0.031 4.588 4.556 0.001 0.000 0.300 83 H C 2.130 177.498 175.328 0.067 0.000 1.090 83 H CA 1.655 57.747 56.048 0.073 0.000 1.327 83 H CB 0.016 29.804 29.762 0.043 0.000 1.383 83 H HN 0.334 nan 8.280 nan 0.000 0.508 84 R N 0.230 120.825 120.500 0.158 0.000 2.140 84 R HA 0.031 4.371 4.340 0.001 0.000 0.213 84 R C 2.254 178.601 176.300 0.078 0.000 1.059 84 R CA 0.125 56.286 56.100 0.102 0.000 1.000 84 R CB -0.426 29.919 30.300 0.074 0.000 0.910 84 R HN 0.325 nan 8.270 nan 0.000 0.455 85 M N 0.142 119.781 119.600 0.065 0.000 2.630 85 M HA -0.062 4.418 4.480 0.001 0.000 0.254 85 M C 0.169 176.498 176.300 0.049 0.000 1.092 85 M CA 1.142 56.471 55.300 0.049 0.000 1.087 85 M CB 0.295 32.918 32.600 0.038 0.000 1.453 85 M HN -0.042 nan 8.290 nan 0.000 0.509 86 L N -0.661 120.602 121.223 0.067 0.000 2.920 86 L HA 0.222 4.562 4.340 0.001 0.000 0.257 86 L C 0.310 177.254 176.870 0.124 0.000 1.150 86 L CA 0.455 55.339 54.840 0.073 0.000 0.959 86 L CB 0.419 42.509 42.059 0.051 0.000 1.321 86 L HN 0.210 nan 8.230 nan 0.000 0.555 87 D N -0.070 120.407 120.400 0.128 0.000 2.708 87 D HA -0.325 4.315 4.640 0.001 0.000 0.236 87 D C -0.750 175.668 176.300 0.197 0.000 1.146 87 D CA 0.708 54.785 54.000 0.128 0.000 0.662 87 D CB -1.057 39.801 40.800 0.096 0.000 1.059 87 D HN 0.266 nan 8.370 nan 0.000 0.428 88 Y N 0.405 120.746 120.300 0.069 0.000 2.361 88 Y HA 0.487 5.037 4.550 0.001 0.000 0.337 88 Y C 0.356 176.348 175.900 0.153 0.000 0.965 88 Y CA -1.071 57.077 58.100 0.079 0.000 1.091 88 Y CB 1.080 39.569 38.460 0.048 0.000 1.182 88 Y HN -0.102 nan 8.280 nan 0.000 0.450 89 N N 3.608 122.116 118.700 -0.320 0.000 2.273 89 N HA 0.172 4.912 4.740 0.001 0.000 0.231 89 N C 0.281 175.581 175.510 -0.351 0.000 1.134 89 N CA 0.262 53.181 53.050 -0.220 0.000 0.856 89 N CB 1.023 39.413 38.487 -0.163 0.000 1.068 89 N HN 0.868 nan 8.380 nan 0.000 0.510 90 G N 0.033 108.366 108.800 -0.777 0.000 2.702 90 G HA2 0.529 4.489 3.960 0.001 0.000 0.254 90 G HA3 0.529 4.489 3.960 0.001 0.000 0.254 90 G C -0.077 174.865 174.900 0.071 0.000 1.380 90 G CA -0.608 44.222 45.100 -0.450 0.000 1.042 90 G HN 0.104 nan 8.290 nan 0.000 0.557 91 I N 1.005 121.682 120.570 0.179 0.000 2.379 91 I HA 0.184 4.355 4.170 0.001 0.000 0.290 91 I C -0.267 176.010 176.117 0.267 0.000 1.063 91 I CA 0.281 61.706 61.300 0.210 0.000 1.351 91 I CB 0.590 38.660 38.000 0.115 0.000 1.410 91 I HN 0.062 nan 8.210 nan 0.000 0.505 92 I N 6.694 127.380 120.570 0.194 0.000 2.312 92 I HA 0.236 4.406 4.170 0.001 0.000 0.290 92 I C 0.361 176.493 176.117 0.026 0.000 1.008 92 I CA -0.282 61.055 61.300 0.061 0.000 1.226 92 I CB 1.199 39.125 38.000 -0.123 0.000 1.371 92 I HN 0.641 nan 8.210 nan 0.000 0.468 93 E N 5.086 125.299 120.200 0.021 0.000 2.250 93 E HA 0.644 4.994 4.350 0.001 0.000 0.265 93 E C -1.470 175.145 176.600 0.024 0.000 1.033 93 E CA -0.629 55.787 56.400 0.026 0.000 0.888 93 E CB 2.303 32.020 29.700 0.028 0.000 1.151 93 E HN 0.324 nan 8.360 nan 0.000 0.412 94 V N 2.244 122.184 119.914 0.043 0.000 2.932 94 V HA 0.258 4.378 4.120 0.001 0.000 0.307 94 V C -1.567 174.572 176.094 0.074 0.000 1.147 94 V CA -0.751 61.581 62.300 0.054 0.000 0.951 94 V CB 2.133 33.986 31.823 0.050 0.000 1.031 94 V HN 0.795 nan 8.190 nan 0.000 0.426 95 D N 2.460 122.907 120.400 0.078 0.000 2.217 95 D HA 0.341 4.981 4.640 0.001 0.000 0.248 95 D C 1.177 177.499 176.300 0.036 0.000 1.008 95 D CA 0.487 54.518 54.000 0.052 0.000 0.914 95 D CB 2.457 43.257 40.800 -0.000 0.000 1.182 95 D HN 0.664 nan 8.370 nan 0.000 0.451 96 S N 1.789 117.476 115.700 -0.021 0.000 2.402 96 S HA 0.044 4.515 4.470 0.001 0.000 0.229 96 S C 1.510 176.088 174.600 -0.036 0.000 1.021 96 S CA 1.182 59.364 58.200 -0.030 0.000 0.974 96 S CB -0.010 63.139 63.200 -0.086 0.000 0.800 96 S HN 0.888 nan 8.310 nan 0.000 0.484 97 G N 0.476 109.248 108.800 -0.046 0.000 2.192 97 G HA2 -0.255 3.706 3.960 0.001 0.000 0.193 97 G HA3 -0.255 3.706 3.960 0.001 0.000 0.193 97 G C 0.951 175.745 174.900 -0.177 0.000 0.999 97 G CA 0.626 45.694 45.100 -0.054 0.000 0.659 97 G HN 1.170 nan 8.290 nan 0.000 0.503 98 S N -0.414 115.182 115.700 -0.172 0.000 2.469 98 S HA 0.037 4.508 4.470 0.001 0.000 0.238 98 S C 1.855 176.370 174.600 -0.142 0.000 0.998 98 S CA 1.486 59.577 58.200 -0.181 0.000 0.957 98 S CB -0.288 62.798 63.200 -0.190 0.000 0.764 98 S HN 0.859 nan 8.310 nan 0.000 0.514 99 F N 2.327 122.116 119.950 -0.268 0.000 2.234 99 F HA 0.147 4.675 4.527 0.001 0.000 0.296 99 F C 2.298 177.965 175.800 -0.221 0.000 1.089 99 F CA 0.973 58.816 58.000 -0.261 0.000 1.343 99 F CB -0.557 38.280 39.000 -0.272 0.000 1.040 99 F HN 0.098 nan 8.300 nan 0.000 0.498 100 Q N 0.081 119.750 119.800 -0.218 0.000 2.167 100 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 100 Q C 2.077 177.890 176.000 -0.312 0.000 0.970 100 Q CA 1.309 56.967 55.803 -0.241 0.000 0.855 100 Q CB -0.706 28.125 28.738 0.156 0.000 0.911 100 Q HN 0.473 nan 8.270 nan 0.000 0.438 101 L N -0.518 120.554 121.223 -0.251 0.000 2.191 101 L HA -0.067 4.274 4.340 0.001 0.000 0.212 101 L C 1.866 178.584 176.870 -0.252 0.000 1.103 101 L CA 1.645 56.363 54.840 -0.204 0.000 0.769 101 L CB -0.335 41.613 42.059 -0.184 0.000 0.908 101 L HN 0.329 nan 8.230 nan 0.000 0.438 102 M N -1.258 118.115 119.600 -0.378 0.000 2.248 102 M HA -0.114 4.366 4.480 0.001 0.000 0.265 102 M C 1.916 177.920 176.300 -0.494 0.000 1.079 102 M CA 1.393 56.466 55.300 -0.378 0.000 1.150 102 M CB -0.019 32.361 32.600 -0.367 0.000 1.366 102 M HN 0.126 nan 8.290 nan 0.000 0.433 103 K N -0.806 119.097 120.400 -0.828 0.000 2.366 103 K HA -0.074 4.247 4.320 0.001 0.000 0.198 103 K C 0.686 176.756 176.600 -0.883 0.000 1.044 103 K CA 1.103 56.810 56.287 -0.966 0.000 0.973 103 K CB 0.245 31.896 32.500 -1.416 0.000 0.767 103 K HN 0.519 nan 8.250 nan 0.000 0.475 104 Y N -2.106 118.097 120.300 -0.162 0.000 2.494 104 Y HA 0.210 4.761 4.550 0.001 0.000 0.271 104 Y C 1.424 177.275 175.900 -0.082 0.000 1.113 104 Y CA -0.172 57.867 58.100 -0.101 0.000 1.240 104 Y CB 1.548 39.961 38.460 -0.077 0.000 1.268 104 Y HN 0.110 nan 8.280 nan 0.000 0.510 105 G N 1.158 109.959 108.800 0.001 0.000 2.184 105 G HA2 -0.166 3.794 3.960 0.001 0.000 0.206 105 G HA3 -0.166 3.794 3.960 0.001 0.000 0.206 105 G C -0.082 174.813 174.900 -0.007 0.000 0.995 105 G CA 0.056 45.149 45.100 -0.012 0.000 0.651 105 G HN 0.746 nan 8.290 nan 0.000 0.511 106 S N -0.799 114.908 115.700 0.011 0.000 2.574 106 S HA 0.513 4.984 4.470 0.001 0.000 0.331 106 S C -0.370 174.227 174.600 -0.004 0.000 0.901 106 S CA -0.354 57.839 58.200 -0.011 0.000 0.834 106 S CB -0.020 63.178 63.200 -0.003 0.000 1.102 106 S HN 1.659 nan 8.310 nan 0.000 0.473 107 I N -0.414 120.106 120.570 -0.083 0.000 3.244 107 I HA 0.809 4.980 4.170 0.001 0.000 0.314 107 I C 0.260 176.353 176.117 -0.039 0.000 1.043 107 I CA -0.723 60.501 61.300 -0.127 0.000 1.099 107 I CB 0.625 38.273 38.000 -0.588 0.000 1.449 107 I HN 0.483 nan 8.210 nan 0.000 0.625 108 E N 1.545 121.801 120.200 0.092 0.000 3.012 108 E HA 0.521 4.872 4.350 0.001 0.000 0.228 108 E C -1.200 175.504 176.600 0.173 0.000 1.184 108 E CA -0.094 56.386 56.400 0.135 0.000 1.407 108 E CB 0.826 30.627 29.700 0.169 0.000 1.438 108 E HN 0.464 nan 8.360 nan 0.000 0.435 109 V N 0.129 120.065 119.914 0.037 0.000 3.147 109 V HA 0.557 4.677 4.120 0.001 0.000 0.299 109 V C -1.001 175.050 176.094 -0.071 0.000 1.302 109 V CA -0.670 61.628 62.300 -0.003 0.000 1.015 109 V CB 2.341 34.119 31.823 -0.074 0.000 1.086 109 V HN 0.340 nan 8.190 nan 0.000 0.437 110 S N 4.006 119.670 115.700 -0.059 0.000 2.616 110 S HA 0.277 4.747 4.470 0.001 0.000 0.277 110 S C 1.068 175.633 174.600 -0.058 0.000 1.234 110 S CA 0.298 58.471 58.200 -0.045 0.000 1.028 110 S CB 1.135 64.327 63.200 -0.013 0.000 0.988 110 S HN 0.965 nan 8.310 nan 0.000 0.522 111 N N 1.651 120.332 118.700 -0.031 0.000 2.137 111 N HA -0.234 4.506 4.740 0.001 0.000 0.190 111 N C 1.917 177.422 175.510 -0.008 0.000 1.017 111 N CA 1.306 54.353 53.050 -0.005 0.000 0.859 111 N CB -0.177 38.321 38.487 0.018 0.000 1.002 111 N HN 0.754 nan 8.380 nan 0.000 0.428 112 R N 0.757 121.251 120.500 -0.010 0.000 2.062 112 R HA -0.070 4.270 4.340 0.001 0.000 0.229 112 R C 1.971 178.266 176.300 -0.008 0.000 1.128 112 R CA 1.310 57.411 56.100 0.001 0.000 0.960 112 R CB -0.012 30.296 30.300 0.014 0.000 0.855 112 R HN 0.329 nan 8.270 nan 0.000 0.432 113 E N 0.226 120.407 120.200 -0.031 0.000 2.033 113 E HA -0.250 4.101 4.350 0.001 0.000 0.199 113 E C 1.899 178.417 176.600 -0.137 0.000 1.011 113 E CA 2.131 58.492 56.400 -0.066 0.000 0.815 113 E CB -0.338 29.291 29.700 -0.119 0.000 0.755 113 E HN 0.403 nan 8.360 nan 0.000 0.451 114 I N -0.037 120.404 120.570 -0.215 0.000 2.361 114 I HA -0.197 3.973 4.170 0.001 0.000 0.251 114 I C 2.203 178.307 176.117 -0.021 0.000 1.133 114 I CA 1.294 62.503 61.300 -0.151 0.000 1.413 114 I CB -0.602 37.318 38.000 -0.133 0.000 1.073 114 I HN 0.065 nan 8.210 nan 0.000 0.424 115 I N 1.121 121.658 120.570 -0.055 0.000 2.208 115 I HA -0.250 3.921 4.170 0.001 0.000 0.245 115 I C 2.591 178.527 176.117 -0.302 0.000 1.097 115 I CA 1.702 62.913 61.300 -0.147 0.000 1.363 115 I CB -0.608 37.328 38.000 -0.107 0.000 1.051 115 I HN 0.348 nan 8.210 nan 0.000 0.413 116 E N 0.405 120.550 120.200 -0.092 0.000 2.072 116 E HA -0.230 4.121 4.350 0.001 0.000 0.191 116 E C 2.126 178.802 176.600 0.126 0.000 0.985 116 E CA 1.174 57.600 56.400 0.043 0.000 0.801 116 E CB -0.238 29.544 29.700 0.136 0.000 0.750 116 E HN 0.381 nan 8.360 nan 0.000 0.452 117 F N 2.415 122.369 119.950 0.006 0.000 2.126 117 F HA -0.218 4.310 4.527 0.001 0.000 0.299 117 F C 2.242 178.079 175.800 0.063 0.000 1.096 117 F CA 1.669 59.719 58.000 0.083 0.000 1.255 117 F CB -0.147 38.918 39.000 0.107 0.000 0.997 117 F HN -0.067 nan 8.300 nan 0.000 0.479 118 Q N -0.917 118.898 119.800 0.025 0.000 2.061 118 Q HA -0.249 4.091 4.340 0.001 0.000 0.204 118 Q C 2.104 178.089 176.000 -0.025 0.000 0.984 118 Q CA 2.193 57.964 55.803 -0.053 0.000 0.846 118 Q CB -0.530 28.186 28.738 -0.036 0.000 0.902 118 Q HN 0.623 nan 8.270 nan 0.000 0.421 119 H N -0.269 118.803 119.070 0.003 0.000 2.352 119 H HA -0.072 4.484 4.556 0.001 0.000 0.299 119 H C 2.084 177.391 175.328 -0.034 0.000 1.097 119 H CA 0.894 56.944 56.048 0.002 0.000 1.311 119 H CB 0.155 29.933 29.762 0.027 0.000 1.377 119 H HN 0.102 nan 8.280 nan 0.000 0.504 120 R N 0.806 121.344 120.500 0.063 0.000 2.189 120 R HA -0.026 4.314 4.340 0.001 0.000 0.218 120 R C 1.808 178.029 176.300 -0.130 0.000 1.074 120 R CA 1.021 57.105 56.100 -0.027 0.000 0.991 120 R CB 0.055 30.348 30.300 -0.013 0.000 0.883 120 R HN 0.522 nan 8.270 nan 0.000 0.457 121 I N -3.635 116.791 120.570 -0.240 0.000 3.875 121 I HA 0.365 4.535 4.170 0.001 0.000 0.329 121 I C 0.763 176.832 176.117 -0.080 0.000 1.295 121 I CA 0.370 61.530 61.300 -0.233 0.000 1.129 121 I CB 0.513 38.261 38.000 -0.419 0.000 1.008 121 I HN 0.118 nan 8.210 nan 0.000 0.413 122 G N 1.507 110.300 108.800 -0.011 0.000 2.159 122 G HA2 -0.238 3.723 3.960 0.001 0.000 0.256 122 G HA3 -0.238 3.723 3.960 0.001 0.000 0.256 122 G C 0.276 175.235 174.900 0.099 0.000 0.977 122 G CA 0.128 45.274 45.100 0.076 0.000 0.652 122 G HN 0.296 nan 8.290 nan 0.000 0.531 123 V N 1.121 121.054 119.914 0.032 0.000 2.752 123 V HA -0.001 4.120 4.120 0.001 0.000 0.306 123 V C 1.565 177.715 176.094 0.093 0.000 1.099 123 V CA 1.279 63.596 62.300 0.029 0.000 1.240 123 V CB 0.815 32.653 31.823 0.025 0.000 0.887 123 V HN 0.397 nan 8.190 nan 0.000 0.499 124 D N 3.110 123.571 120.400 0.103 0.000 2.213 124 D HA 0.174 4.814 4.640 0.001 0.000 0.205 124 D C 0.350 176.700 176.300 0.083 0.000 0.961 124 D CA 1.254 55.328 54.000 0.123 0.000 0.853 124 D CB 0.581 41.471 40.800 0.150 0.000 0.967 124 D HN 0.432 nan 8.370 nan 0.000 0.496 125 I N 0.327 120.936 120.570 0.066 0.000 2.548 125 I HA 0.331 4.501 4.170 0.001 0.000 0.287 125 I C 0.229 176.378 176.117 0.054 0.000 1.103 125 I CA -0.747 60.585 61.300 0.054 0.000 1.049 125 I CB 2.438 40.453 38.000 0.025 0.000 1.232 125 I HN -0.209 nan 8.210 nan 0.000 0.429 126 G N 3.417 112.259 108.800 0.071 0.000 2.705 126 G HA2 0.849 4.810 3.960 0.001 0.000 0.299 126 G HA3 0.849 4.810 3.960 0.001 0.000 0.299 126 G C -0.939 173.997 174.900 0.060 0.000 1.315 126 G CA -0.397 44.742 45.100 0.064 0.000 1.045 126 G HN 0.445 nan 8.290 nan 0.000 0.517 127 T N -0.113 114.470 114.554 0.048 0.000 2.956 127 T HA 0.510 4.861 4.350 0.001 0.000 0.312 127 T C -0.823 173.889 174.700 0.021 0.000 1.151 127 T CA -0.337 61.754 62.100 -0.015 0.000 1.024 127 T CB 1.402 70.247 68.868 -0.039 0.000 1.140 127 T HN 0.562 nan 8.240 nan 0.000 0.473 128 F N 0.111 120.042 119.950 -0.032 0.000 2.410 128 F HA 0.699 5.227 4.527 0.001 0.000 0.324 128 F C 0.303 176.062 175.800 -0.068 0.000 1.093 128 F CA -1.644 56.330 58.000 -0.043 0.000 1.028 128 F CB 0.483 39.469 39.000 -0.023 0.000 1.309 128 F HN 0.367 nan 8.300 nan 0.000 0.499 129 L N 2.778 124.112 121.223 0.185 0.000 2.436 129 L HA 0.054 4.395 4.340 0.001 0.000 0.244 129 L C -0.095 176.802 176.870 0.046 0.000 1.396 129 L CA -0.177 54.681 54.840 0.029 0.000 1.217 129 L CB -1.535 40.526 42.059 0.003 0.000 1.420 129 L HN 0.665 nan 8.230 nan 0.000 0.434 130 D N 1.711 122.028 120.400 -0.139 0.000 2.372 130 D HA 0.088 4.728 4.640 0.001 0.000 0.243 130 D C 0.112 176.355 176.300 -0.095 0.000 1.121 130 D CA -0.337 53.595 54.000 -0.113 0.000 0.898 130 D CB 1.966 42.559 40.800 -0.344 0.000 1.202 130 D HN 0.178 nan 8.370 nan 0.000 0.428 131 I N 1.814 122.357 120.570 -0.044 0.000 2.301 131 I HA 0.123 4.294 4.170 0.001 0.000 0.292 131 I C -2.202 173.882 176.117 -0.056 0.000 1.046 131 I CA -2.042 59.226 61.300 -0.054 0.000 1.282 131 I CB 1.298 39.281 38.000 -0.028 0.000 1.409 131 I HN 0.055 nan 8.210 nan 0.000 0.484 132 P HA 0.117 nan 4.420 nan 0.000 0.268 132 P C -0.566 176.713 177.300 -0.035 0.000 1.541 132 P CA -0.279 62.789 63.100 -0.052 0.000 1.093 132 P CB 0.149 31.818 31.700 -0.052 0.000 1.551 133 T N 5.533 120.080 114.554 -0.011 0.000 2.916 133 T HA 0.168 4.519 4.350 0.001 0.000 0.303 133 T C -1.986 172.720 174.700 0.010 0.000 1.025 133 T CA -0.871 61.232 62.100 0.005 0.000 1.142 133 T CB -0.255 68.634 68.868 0.035 0.000 0.947 133 T HN 0.187 nan 8.240 nan 0.000 0.544 134 P HA 0.130 nan 4.420 nan 0.000 0.271 134 P C -1.747 175.564 177.300 0.018 0.000 1.244 134 P CA -1.327 61.774 63.100 0.003 0.000 0.793 134 P CB -0.036 31.660 31.700 -0.007 0.000 0.984 135 P HA -0.187 nan 4.420 nan 0.000 0.209 135 P C -0.112 177.176 177.300 -0.019 0.000 1.167 135 P CA 1.722 64.815 63.100 -0.012 0.000 0.941 135 P CB -0.172 31.514 31.700 -0.023 0.000 0.787 136 D N -0.526 119.865 120.400 -0.016 0.000 3.110 136 D HA 0.309 4.950 4.640 0.001 0.000 0.254 136 D C 0.160 176.486 176.300 0.044 0.000 1.283 136 D CA 0.002 53.990 54.000 -0.019 0.000 0.944 136 D CB -0.078 40.705 40.800 -0.029 0.000 1.066 136 D HN 0.113 nan 8.370 nan 0.000 0.496 137 A N 1.568 124.451 122.820 0.105 0.000 2.287 137 A HA 0.503 4.823 4.320 0.001 0.000 0.273 137 A C -2.268 175.436 177.584 0.200 0.000 1.091 137 A CA -1.158 50.954 52.037 0.125 0.000 0.817 137 A CB 0.185 19.251 19.000 0.110 0.000 1.069 137 A HN 0.017 nan 8.150 nan 0.000 0.492 138 P HA 0.234 nan 4.420 nan 0.000 0.271 138 P C 0.677 177.987 177.300 0.018 0.000 1.216 138 P CA -0.250 62.905 63.100 0.092 0.000 0.771 138 P CB 0.647 32.368 31.700 0.035 0.000 0.864 139 R N 2.945 123.402 120.500 -0.072 0.000 2.119 139 R HA -0.264 4.076 4.340 0.001 0.000 0.246 139 R C 1.878 178.014 176.300 -0.273 0.000 1.146 139 R CA 2.001 57.824 56.100 -0.462 0.000 0.962 139 R CB -0.309 29.732 30.300 -0.432 0.000 0.863 139 R HN 0.555 nan 8.270 nan 0.000 0.442 140 E N -0.112 120.006 120.200 -0.137 0.000 2.058 140 E HA -0.318 4.032 4.350 0.001 0.000 0.194 140 E C 1.996 178.548 176.600 -0.079 0.000 0.997 140 E CA 1.749 58.092 56.400 -0.095 0.000 0.801 140 E CB -0.063 29.604 29.700 -0.055 0.000 0.746 140 E HN 0.492 nan 8.360 nan 0.000 0.450 141 Q N -0.159 119.608 119.800 -0.056 0.000 2.084 141 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 141 Q C 2.089 178.067 176.000 -0.037 0.000 0.978 141 Q CA 1.429 57.213 55.803 -0.032 0.000 0.844 141 Q CB -0.194 28.540 28.738 -0.006 0.000 0.898 141 Q HN 0.331 nan 8.270 nan 0.000 0.426 142 A N 0.007 122.791 122.820 -0.060 0.000 1.908 142 A HA -0.147 4.173 4.320 0.001 0.000 0.218 142 A C 2.166 179.710 177.584 -0.066 0.000 1.181 142 A CA 1.690 53.697 52.037 -0.050 0.000 0.627 142 A CB -0.649 18.281 19.000 -0.116 0.000 0.818 142 A HN 0.318 nan 8.150 nan 0.000 0.445 143 V N 0.142 119.986 119.914 -0.117 0.000 2.407 143 V HA -0.196 3.925 4.120 0.001 0.000 0.245 143 V C 2.487 178.562 176.094 -0.031 0.000 1.041 143 V CA 2.048 64.300 62.300 -0.079 0.000 1.040 143 V CB -0.620 31.130 31.823 -0.122 0.000 0.671 143 V HN 0.619 nan 8.190 nan 0.000 0.455 144 K N 0.574 120.952 120.400 -0.037 0.000 1.987 144 K HA -0.276 4.045 4.320 0.001 0.000 0.216 144 K C 2.146 178.745 176.600 -0.002 0.000 1.051 144 K CA 2.385 58.661 56.287 -0.018 0.000 0.942 144 K CB -0.277 32.210 32.500 -0.021 0.000 0.722 144 K HN 0.555 nan 8.250 nan 0.000 0.444 145 E N 0.574 120.772 120.200 -0.003 0.000 2.085 145 E HA -0.225 4.126 4.350 0.001 0.000 0.194 145 E C 2.019 178.632 176.600 0.022 0.000 0.994 145 E CA 1.166 57.570 56.400 0.005 0.000 0.801 145 E CB -0.180 29.520 29.700 -0.000 0.000 0.743 145 E HN 0.197 nan 8.360 nan 0.000 0.453 146 L N 1.627 122.870 121.223 0.032 0.000 2.042 146 L HA -0.202 4.139 4.340 0.001 0.000 0.210 146 L C 1.984 178.897 176.870 0.072 0.000 1.076 146 L CA 1.853 56.729 54.840 0.060 0.000 0.749 146 L CB -0.325 41.791 42.059 0.095 0.000 0.893 146 L HN -0.020 nan 8.230 nan 0.000 0.432 147 E N -0.102 120.141 120.200 0.071 0.000 2.077 147 E HA -0.184 4.166 4.350 0.001 0.000 0.193 147 E C 2.347 178.973 176.600 0.044 0.000 0.989 147 E CA 1.686 58.129 56.400 0.071 0.000 0.800 147 E CB -0.310 29.424 29.700 0.057 0.000 0.746 147 E HN 0.608 nan 8.360 nan 0.000 0.452 148 I N 0.806 121.396 120.570 0.033 0.000 2.226 148 I HA -0.245 3.926 4.170 0.001 0.000 0.245 148 I C 2.347 178.489 176.117 0.042 0.000 1.100 148 I CA 1.212 62.527 61.300 0.026 0.000 1.374 148 I CB -0.563 37.447 38.000 0.016 0.000 1.057 148 I HN 0.058 nan 8.210 nan 0.000 0.413 149 T N 1.561 116.151 114.554 0.060 0.000 2.684 149 T HA -0.149 4.202 4.350 0.001 0.000 0.267 149 T C 1.974 176.744 174.700 0.116 0.000 1.036 149 T CA 1.381 63.552 62.100 0.119 0.000 1.148 149 T CB -0.322 68.605 68.868 0.098 0.000 0.863 149 T HN 0.246 nan 8.240 nan 0.000 0.436 150 L N 1.378 122.634 121.223 0.055 0.000 2.131 150 L HA -0.119 4.222 4.340 0.001 0.000 0.210 150 L C 2.914 179.766 176.870 -0.030 0.000 1.092 150 L CA 1.457 56.300 54.840 0.006 0.000 0.759 150 L CB -0.701 41.357 42.059 -0.002 0.000 0.903 150 L HN 0.405 nan 8.230 nan 0.000 0.435 151 S N 0.009 115.701 115.700 -0.013 0.000 2.368 151 S HA -0.180 4.290 4.470 0.001 0.000 0.224 151 S C 2.042 176.600 174.600 -0.071 0.000 1.029 151 S CA 0.664 58.847 58.200 -0.028 0.000 0.988 151 S CB -0.370 62.825 63.200 -0.009 0.000 0.838 151 S HN 0.382 nan 8.310 nan 0.000 0.462 152 R N 1.476 121.932 120.500 -0.074 0.000 2.148 152 R HA 0.142 4.482 4.340 0.001 0.000 0.227 152 R C 2.668 178.711 176.300 -0.428 0.000 1.103 152 R CA 1.036 57.056 56.100 -0.133 0.000 0.983 152 R CB -0.701 29.606 30.300 0.012 0.000 0.874 152 R HN 0.594 nan 8.270 nan 0.000 0.451 153 A N 1.538 124.052 122.820 -0.510 0.000 1.873 153 A HA -0.164 4.157 4.320 0.001 0.000 0.215 153 A C 2.093 179.537 177.584 -0.234 0.000 1.186 153 A CA 1.110 52.691 52.037 -0.759 0.000 0.616 153 A CB -0.306 18.493 19.000 -0.334 0.000 0.823 153 A HN 0.201 nan 8.150 nan 0.000 0.442 154 R N -0.573 119.854 120.500 -0.123 0.000 2.091 154 R HA -0.165 4.176 4.340 0.001 0.000 0.238 154 R C 2.308 178.563 176.300 -0.074 0.000 1.136 154 R CA 1.594 57.658 56.100 -0.060 0.000 0.959 154 R CB -0.316 29.959 30.300 -0.042 0.000 0.856 154 R HN 0.805 nan 8.270 nan 0.000 0.437 155 E N 0.683 120.826 120.200 -0.095 0.000 2.077 155 E HA -0.182 4.169 4.350 0.001 0.000 0.193 155 E C 1.940 178.504 176.600 -0.060 0.000 0.989 155 E CA 1.137 57.497 56.400 -0.066 0.000 0.800 155 E CB -0.030 29.635 29.700 -0.058 0.000 0.746 155 E HN 0.370 nan 8.360 nan 0.000 0.452 156 A N 1.242 123.999 122.820 -0.105 0.000 1.902 156 A HA -0.253 4.068 4.320 0.001 0.000 0.217 156 A C 2.088 179.668 177.584 -0.007 0.000 1.181 156 A CA 1.720 53.746 52.037 -0.018 0.000 0.623 156 A CB -0.661 18.299 19.000 -0.068 0.000 0.818 156 A HN 0.485 nan 8.150 nan 0.000 0.443 157 E N 0.031 120.176 120.200 -0.091 0.000 2.118 157 E HA -0.240 4.111 4.350 0.001 0.000 0.195 157 E C 1.811 178.318 176.600 -0.154 0.000 0.992 157 E CA 1.519 57.748 56.400 -0.285 0.000 0.804 157 E CB -0.102 29.427 29.700 -0.286 0.000 0.741 157 E HN 0.797 nan 8.360 nan 0.000 0.458 158 E N 0.870 121.021 120.200 -0.082 0.000 1.999 158 E HA -0.158 4.192 4.350 0.001 0.000 0.194 158 E C 2.328 178.917 176.600 -0.018 0.000 0.995 158 E CA 1.394 57.765 56.400 -0.048 0.000 0.825 158 E CB -0.523 29.159 29.700 -0.030 0.000 0.777 158 E HN 0.492 nan 8.360 nan 0.000 0.459 159 I N 0.018 120.598 120.570 0.017 0.000 3.456 159 I HA 0.040 4.211 4.170 0.001 0.000 0.291 159 I C 0.763 176.979 176.117 0.165 0.000 1.307 159 I CA 0.196 61.540 61.300 0.073 0.000 1.333 159 I CB -0.304 37.748 38.000 0.087 0.000 1.032 159 I HN -0.111 nan 8.210 nan 0.000 0.506 160 K N 2.039 122.506 120.400 0.112 0.000 2.382 160 K HA 0.046 4.366 4.320 0.001 0.000 0.275 160 K C 0.411 177.061 176.600 0.083 0.000 1.009 160 K CA 0.257 56.655 56.287 0.184 0.000 0.970 160 K CB 0.600 33.130 32.500 0.051 0.000 0.934 160 K HN 0.227 nan 8.250 nan 0.000 0.479 161 E N 2.625 122.856 120.200 0.052 0.000 2.665 161 E HA 0.118 4.468 4.350 0.001 0.000 0.225 161 E C -0.498 176.034 176.600 -0.114 0.000 0.922 161 E CA -0.150 56.088 56.400 -0.270 0.000 1.242 161 E CB 0.510 29.732 29.700 -0.796 0.000 1.197 161 E HN 0.445 nan 8.360 nan 0.000 0.581 162 I N 0.762 121.407 120.570 0.126 0.000 3.145 162 I HA 0.390 4.560 4.170 0.001 0.000 0.313 162 I C -2.701 173.498 176.117 0.138 0.000 1.122 162 I CA -2.708 58.677 61.300 0.142 0.000 0.987 162 I CB 2.074 40.224 38.000 0.250 0.000 1.236 162 I HN -0.288 nan 8.210 nan 0.000 0.453 163 P HA 0.352 nan 4.420 nan 0.000 0.269 163 P C -1.096 176.283 177.300 0.130 0.000 1.209 163 P CA 0.025 63.178 63.100 0.088 0.000 0.776 163 P CB 0.431 32.161 31.700 0.049 0.000 0.876 164 M N 1.550 121.259 119.600 0.182 0.000 2.575 164 M HA 0.293 4.773 4.480 0.001 0.000 0.284 164 M C -0.481 175.914 176.300 0.158 0.000 1.253 164 M CA -0.586 54.852 55.300 0.229 0.000 0.861 164 M CB 2.576 35.422 32.600 0.410 0.000 1.733 164 M HN 0.205 nan 8.290 nan 0.000 0.462 165 N N 0.574 119.289 118.700 0.025 0.000 2.472 165 N HA 0.538 5.278 4.740 0.001 0.000 0.277 165 N C -0.983 174.359 175.510 -0.281 0.000 1.081 165 N CA -0.260 52.703 53.050 -0.145 0.000 0.973 165 N CB 1.299 39.672 38.487 -0.190 0.000 1.105 165 N HN 0.615 nan 8.380 nan 0.000 0.470 166 A N 2.061 124.701 122.820 -0.299 0.000 2.536 166 A HA 0.274 4.595 4.320 0.001 0.000 0.329 166 A C -0.283 177.212 177.584 -0.149 0.000 1.321 166 A CA -0.723 51.117 52.037 -0.329 0.000 0.804 166 A CB 0.154 18.870 19.000 -0.474 0.000 1.126 166 A HN 0.528 nan 8.150 nan 0.000 0.480 167 T N 3.280 117.646 114.554 -0.313 0.000 2.769 167 T HA 0.254 4.605 4.350 0.001 0.000 0.293 167 T C 0.472 175.104 174.700 -0.113 0.000 0.931 167 T CA 0.306 62.301 62.100 -0.176 0.000 1.139 167 T CB -0.388 68.377 68.868 -0.172 0.000 0.881 167 T HN 0.378 nan 8.240 nan 0.000 0.532 168 I N 3.696 124.211 120.570 -0.092 0.000 2.683 168 I HA 0.121 4.292 4.170 0.001 0.000 0.286 168 I C 0.813 176.898 176.117 -0.053 0.000 1.175 168 I CA 0.530 61.776 61.300 -0.090 0.000 1.429 168 I CB 0.620 38.557 38.000 -0.106 0.000 1.371 168 I HN 0.564 nan 8.210 nan 0.000 0.569 169 Q N 4.077 123.859 119.800 -0.031 0.000 2.706 169 Q HA 0.361 4.702 4.340 0.001 0.000 0.335 169 Q C 0.471 176.490 176.000 0.032 0.000 0.796 169 Q CA -0.017 55.782 55.803 -0.006 0.000 1.046 169 Q CB 0.713 29.441 28.738 -0.018 0.000 1.448 169 Q HN 0.772 nan 8.270 nan 0.000 0.385 170 G N -0.307 108.525 108.800 0.054 0.000 3.383 170 G HA2 0.304 4.264 3.960 0.001 0.000 0.251 170 G HA3 0.304 4.264 3.960 0.001 0.000 0.251 170 G C 0.417 175.422 174.900 0.174 0.000 1.203 170 G CA 0.591 45.755 45.100 0.108 0.000 0.852 170 G HN 0.564 nan 8.290 nan 0.000 0.531 171 S N -0.776 114.999 115.700 0.126 0.000 3.643 171 S HA -0.303 4.168 4.470 0.001 0.000 0.630 171 S C 1.511 176.162 174.600 0.086 0.000 2.469 171 S CA 2.263 60.548 58.200 0.143 0.000 3.568 171 S CB -1.492 61.882 63.200 0.290 0.000 0.271 171 S HN 1.214 nan 8.310 nan 0.000 1.199 172 T N -0.435 114.107 114.554 -0.019 0.000 3.273 172 T HA 0.469 4.819 4.350 0.001 0.000 0.254 172 T C -0.127 174.363 174.700 -0.349 0.000 1.002 172 T CA 0.080 62.066 62.100 -0.191 0.000 0.913 172 T CB -0.595 68.118 68.868 -0.257 0.000 1.056 172 T HN 0.472 nan 8.240 nan 0.000 0.576 173 Y N 2.337 122.643 120.300 0.009 0.000 2.504 173 Y HA 0.351 4.901 4.550 0.001 0.000 0.339 173 Y C 2.075 177.983 175.900 0.014 0.000 0.974 173 Y CA -0.955 57.152 58.100 0.012 0.000 1.232 173 Y CB 0.981 39.447 38.460 0.011 0.000 1.108 173 Y HN 0.283 nan 8.280 nan 0.000 0.509 174 T N -1.723 112.883 114.554 0.085 0.000 2.653 174 T HA -0.314 4.036 4.350 0.001 0.000 0.268 174 T C 1.582 176.333 174.700 0.084 0.000 1.035 174 T CA 2.093 64.229 62.100 0.060 0.000 1.154 174 T CB -0.244 68.648 68.868 0.041 0.000 0.862 174 T HN 0.764 nan 8.240 nan 0.000 0.441 175 D N 1.439 121.903 120.400 0.106 0.000 2.182 175 D HA -0.135 4.506 4.640 0.001 0.000 0.201 175 D C 2.292 178.661 176.300 0.114 0.000 0.986 175 D CA 1.085 55.140 54.000 0.092 0.000 0.847 175 D CB -0.494 40.349 40.800 0.072 0.000 0.942 175 D HN 0.471 nan 8.370 nan 0.000 0.467 176 L N -0.178 121.131 121.223 0.143 0.000 2.109 176 L HA -0.040 4.301 4.340 0.001 0.000 0.207 176 L C 2.939 179.904 176.870 0.158 0.000 1.086 176 L CA 0.490 55.426 54.840 0.161 0.000 0.760 176 L CB -0.255 41.889 42.059 0.142 0.000 0.910 176 L HN -0.079 nan 8.230 nan 0.000 0.437 177 R N 0.080 120.645 120.500 0.107 0.000 2.073 177 R HA -0.153 4.187 4.340 0.001 0.000 0.234 177 R C 2.213 178.530 176.300 0.029 0.000 1.134 177 R CA 1.138 57.266 56.100 0.047 0.000 0.952 177 R CB -0.722 29.587 30.300 0.014 0.000 0.850 177 R HN 0.347 nan 8.270 nan 0.000 0.433 178 R N -0.005 120.526 120.500 0.052 0.000 2.083 178 R HA -0.215 4.126 4.340 0.001 0.000 0.237 178 R C 2.246 178.594 176.300 0.080 0.000 1.137 178 R CA 1.779 57.907 56.100 0.047 0.000 0.951 178 R CB -0.526 29.812 30.300 0.062 0.000 0.851 178 R HN 0.212 nan 8.270 nan 0.000 0.434 179 Y N 0.867 121.163 120.300 -0.007 0.000 2.097 179 Y HA -0.211 4.339 4.550 0.001 0.000 0.282 179 Y C 2.154 178.044 175.900 -0.017 0.000 1.152 179 Y CA 1.638 59.734 58.100 -0.007 0.000 1.136 179 Y CB -0.812 37.646 38.460 -0.003 0.000 0.975 179 Y HN 0.198 nan 8.280 nan 0.000 0.498 180 A N 0.977 123.714 122.820 -0.138 0.000 1.859 180 A HA -0.202 4.119 4.320 0.001 0.000 0.217 180 A C 2.516 179.965 177.584 -0.226 0.000 1.198 180 A CA 2.720 54.613 52.037 -0.240 0.000 0.629 180 A CB -1.740 17.211 19.000 -0.082 0.000 0.830 180 A HN 0.706 nan 8.150 nan 0.000 0.446 181 A N -0.425 122.295 122.820 -0.166 0.000 1.873 181 A HA -0.243 4.077 4.320 0.001 0.000 0.218 181 A C 2.242 179.703 177.584 -0.205 0.000 1.193 181 A CA 2.229 54.136 52.037 -0.216 0.000 0.629 181 A CB -0.643 18.262 19.000 -0.159 0.000 0.826 181 A HN 0.605 nan 8.150 nan 0.000 0.447 182 R N -0.937 119.482 120.500 -0.135 0.000 2.115 182 R HA -0.204 4.136 4.340 0.001 0.000 0.239 182 R C 2.380 178.608 176.300 -0.120 0.000 1.133 182 R CA 1.961 58.006 56.100 -0.091 0.000 0.935 182 R CB -0.257 30.024 30.300 -0.032 0.000 0.853 182 R HN 0.377 nan 8.270 nan 0.000 0.433 183 R N 0.047 120.417 120.500 -0.218 0.000 2.115 183 R HA -0.063 4.277 4.340 0.001 0.000 0.230 183 R C 2.064 178.306 176.300 -0.096 0.000 1.111 183 R CA 0.755 56.737 56.100 -0.198 0.000 0.976 183 R CB -0.363 29.704 30.300 -0.389 0.000 0.870 183 R HN 0.311 nan 8.270 nan 0.000 0.445 184 L N 0.329 121.482 121.223 -0.117 0.000 2.313 184 L HA 0.031 4.371 4.340 0.001 0.000 0.214 184 L C 2.037 178.958 176.870 0.085 0.000 1.119 184 L CA 1.201 56.042 54.840 0.001 0.000 0.809 184 L CB -0.898 41.094 42.059 -0.111 0.000 0.933 184 L HN 0.045 nan 8.230 nan 0.000 0.449 185 S N 0.051 115.721 115.700 -0.049 0.000 2.371 185 S HA -0.113 4.357 4.470 0.001 0.000 0.224 185 S C 2.011 176.671 174.600 0.099 0.000 1.029 185 S CA 1.316 59.548 58.200 0.054 0.000 0.978 185 S CB -0.056 63.132 63.200 -0.020 0.000 0.833 185 S HN 0.619 nan 8.310 nan 0.000 0.466 186 S N 0.760 116.490 115.700 0.051 0.000 2.547 186 S HA 0.129 4.599 4.470 0.001 0.000 0.235 186 S C 0.671 175.306 174.600 0.057 0.000 0.980 186 S CA 0.322 58.549 58.200 0.045 0.000 0.941 186 S CB -0.426 62.788 63.200 0.023 0.000 0.763 186 S HN 0.309 nan 8.310 nan 0.000 0.532 187 M N 1.961 121.627 119.600 0.111 0.000 2.494 187 M HA 0.287 4.767 4.480 0.001 0.000 0.300 187 M C 0.265 176.604 176.300 0.065 0.000 1.189 187 M CA -0.539 54.822 55.300 0.102 0.000 0.982 187 M CB 0.542 33.285 32.600 0.238 0.000 1.534 187 M HN 0.085 nan 8.290 nan 0.000 0.488 188 N N 1.744 120.347 118.700 -0.161 0.000 2.555 188 N HA 0.297 5.037 4.740 0.001 0.000 0.244 188 N C -2.085 173.119 175.510 -0.509 0.000 1.114 188 N CA 0.267 53.173 53.050 -0.241 0.000 0.963 188 N CB -0.032 38.312 38.487 -0.239 0.000 1.276 188 N HN 0.386 nan 8.380 nan 0.000 0.510 189 F N 0.413 120.367 119.950 0.007 0.000 2.626 189 F HA 0.280 4.808 4.527 0.001 0.000 0.311 189 F C 1.285 176.992 175.800 -0.154 0.000 1.088 189 F CA -0.765 57.208 58.000 -0.045 0.000 0.949 189 F CB 1.711 40.708 39.000 -0.005 0.000 1.322 189 F HN 0.225 nan 8.300 nan 0.000 0.461 190 E N 0.928 121.148 120.200 0.034 0.000 2.290 190 E HA 0.231 4.581 4.350 0.001 0.000 0.197 190 E C 0.121 176.579 176.600 -0.237 0.000 0.948 190 E CA 0.817 57.162 56.400 -0.091 0.000 0.895 190 E CB 1.253 30.928 29.700 -0.042 0.000 0.865 190 E HN 0.455 nan 8.360 nan 0.000 0.486 191 I N 1.862 122.259 120.570 -0.289 0.000 2.545 191 I HA 0.243 4.414 4.170 0.001 0.000 0.292 191 I C -0.784 175.069 176.117 -0.439 0.000 1.040 191 I CA -0.857 60.231 61.300 -0.354 0.000 1.068 191 I CB 1.986 39.840 38.000 -0.243 0.000 1.251 191 I HN -0.062 nan 8.210 nan 0.000 0.424 192 H N 5.202 124.169 119.070 -0.172 0.000 2.725 192 H HA 0.373 4.930 4.556 0.001 0.000 0.283 192 H C -2.564 172.632 175.328 -0.221 0.000 1.110 192 H CA -2.149 53.792 56.048 -0.179 0.000 1.289 192 H CB 1.186 30.867 29.762 -0.134 0.000 1.400 192 H HN 0.147 nan 8.280 nan 0.000 0.493 193 P HA 0.206 nan 4.420 nan 0.000 0.276 193 P C 0.116 177.337 177.300 -0.132 0.000 1.244 193 P CA -0.310 62.616 63.100 -0.289 0.000 0.801 193 P CB 1.383 32.741 31.700 -0.571 0.000 1.006 194 I N 1.266 121.774 120.570 -0.104 0.000 2.355 194 I HA 0.457 4.627 4.170 0.001 0.000 0.288 194 I C 0.835 176.958 176.117 0.010 0.000 0.999 194 I CA -0.091 61.178 61.300 -0.052 0.000 1.163 194 I CB 1.380 39.341 38.000 -0.064 0.000 1.316 194 I HN 0.370 nan 8.210 nan 0.000 0.454 195 G N 2.711 111.520 108.800 0.015 0.000 2.667 195 G HA2 0.539 4.500 3.960 0.001 0.000 0.310 195 G HA3 0.539 4.500 3.960 0.001 0.000 0.310 195 G C 0.669 175.573 174.900 0.007 0.000 1.259 195 G CA -0.278 44.840 45.100 0.029 0.000 1.019 195 G HN 0.914 nan 8.290 nan 0.000 0.496 196 G N -2.246 106.554 108.800 -0.000 0.000 2.153 196 G HA2 -0.132 3.828 3.960 0.001 0.000 0.252 196 G HA3 -0.132 3.828 3.960 0.001 0.000 0.252 196 G C 0.973 175.883 174.900 0.017 0.000 0.994 196 G CA 1.233 46.339 45.100 0.009 0.000 0.698 196 G HN 1.958 nan 8.290 nan 0.000 0.521 197 V N -2.680 117.246 119.914 0.021 0.000 3.542 197 V HA 0.437 4.558 4.120 0.001 0.000 0.296 197 V C 2.110 178.216 176.094 0.020 0.000 1.364 197 V CA 1.011 63.321 62.300 0.017 0.000 1.118 197 V CB 0.336 32.174 31.823 0.024 0.000 0.972 197 V HN 0.194 nan 8.190 nan 0.000 0.430 198 V N 1.471 121.406 119.914 0.034 0.000 2.255 198 V HA -0.108 4.012 4.120 0.001 0.000 0.247 198 V C 0.493 176.610 176.094 0.039 0.000 1.051 198 V CA 3.150 65.476 62.300 0.043 0.000 1.018 198 V CB -1.324 30.549 31.823 0.083 0.000 0.641 198 V HN 0.522 nan 8.190 nan 0.000 0.445 199 P HA -0.165 nan 4.420 nan 0.000 0.216 199 P C 1.865 179.153 177.300 -0.021 0.000 1.150 199 P CA 1.514 64.625 63.100 0.017 0.000 0.843 199 P CB -0.054 31.653 31.700 0.010 0.000 0.787 200 L N -1.657 119.543 121.223 -0.039 0.000 1.976 200 L HA -0.194 4.147 4.340 0.001 0.000 0.209 200 L C 2.507 179.263 176.870 -0.189 0.000 1.071 200 L CA 1.569 56.351 54.840 -0.096 0.000 0.746 200 L CB -1.255 40.759 42.059 -0.076 0.000 0.890 200 L HN -0.031 nan 8.230 nan 0.000 0.432 201 L N -0.265 120.867 121.223 -0.150 0.000 1.971 201 L HA -0.265 4.075 4.340 0.001 0.000 0.215 201 L C 2.622 179.362 176.870 -0.216 0.000 1.072 201 L CA 1.604 56.313 54.840 -0.218 0.000 0.758 201 L CB -0.774 41.276 42.059 -0.017 0.000 0.889 201 L HN 0.295 nan 8.230 nan 0.000 0.433 202 E N -0.263 119.911 120.200 -0.043 0.000 2.147 202 E HA -0.230 4.120 4.350 0.001 0.000 0.199 202 E C 1.879 178.523 176.600 0.073 0.000 1.005 202 E CA 1.651 58.084 56.400 0.054 0.000 0.810 202 E CB -0.226 29.524 29.700 0.083 0.000 0.736 202 E HN 0.365 nan 8.360 nan 0.000 0.460 203 S N -0.254 115.434 115.700 -0.020 0.000 2.754 203 S HA 0.031 4.501 4.470 0.001 0.000 0.223 203 S C -0.307 174.270 174.600 -0.039 0.000 0.951 203 S CA -0.172 58.028 58.200 -0.000 0.000 0.954 203 S CB -0.318 62.861 63.200 -0.034 0.000 0.780 203 S HN 0.317 nan 8.310 nan 0.000 0.509 204 Y N 0.607 120.628 120.300 -0.465 0.000 3.978 204 Y HA -0.293 4.257 4.550 0.001 0.000 0.219 204 Y C 0.746 176.104 175.900 -0.904 0.000 1.153 204 Y CA 0.248 57.830 58.100 -0.863 0.000 1.718 204 Y CB -1.474 36.732 38.460 -0.423 0.000 1.541 204 Y HN 0.279 nan 8.280 nan 0.000 0.640 205 R N 0.349 120.471 120.500 -0.629 0.000 4.138 205 R HA 0.172 4.512 4.340 0.001 0.000 0.206 205 R C 0.558 176.649 176.300 -0.349 0.000 1.667 205 R CA -0.214 55.688 56.100 -0.330 0.000 1.481 205 R CB -0.480 29.721 30.300 -0.165 0.000 1.388 205 R HN 0.335 nan 8.270 nan 0.000 0.776 206 F N -0.243 119.717 119.950 0.017 0.000 2.407 206 F HA -0.054 4.473 4.527 0.001 0.000 0.299 206 F C 2.570 178.407 175.800 0.062 0.000 1.097 206 F CA 0.570 58.585 58.000 0.025 0.000 1.422 206 F CB -0.058 38.955 39.000 0.023 0.000 1.067 206 F HN 0.241 nan 8.300 nan 0.000 0.539 207 R N 0.838 121.460 120.500 0.203 0.000 2.075 207 R HA -0.149 4.191 4.340 0.001 0.000 0.232 207 R C 1.596 177.961 176.300 0.109 0.000 1.126 207 R CA 1.815 58.008 56.100 0.157 0.000 0.963 207 R CB -0.383 29.985 30.300 0.114 0.000 0.858 207 R HN 0.191 nan 8.270 nan 0.000 0.435 208 D N -0.001 120.433 120.400 0.057 0.000 2.117 208 D HA -0.124 4.516 4.640 0.001 0.000 0.197 208 D C 1.948 178.268 176.300 0.035 0.000 0.987 208 D CA 1.141 55.156 54.000 0.025 0.000 0.829 208 D CB -0.136 40.654 40.800 -0.016 0.000 0.961 208 D HN 0.082 nan 8.370 nan 0.000 0.460 209 V N 0.959 120.902 119.914 0.048 0.000 2.490 209 V HA -0.194 3.927 4.120 0.001 0.000 0.250 209 V C 2.662 178.803 176.094 0.078 0.000 1.061 209 V CA 0.892 63.230 62.300 0.062 0.000 1.064 209 V CB -0.421 31.465 31.823 0.104 0.000 0.670 209 V HN 0.045 nan 8.190 nan 0.000 0.461 210 V N 0.093 120.079 119.914 0.120 0.000 2.295 210 V HA -0.252 3.868 4.120 0.001 0.000 0.246 210 V C 2.341 178.471 176.094 0.061 0.000 1.049 210 V CA 2.231 64.606 62.300 0.126 0.000 1.024 210 V CB -0.660 31.287 31.823 0.205 0.000 0.648 210 V HN 0.540 nan 8.190 nan 0.000 0.447 211 D N 0.036 120.487 120.400 0.084 0.000 2.104 211 D HA -0.149 4.491 4.640 0.001 0.000 0.194 211 D C 2.098 178.372 176.300 -0.043 0.000 0.994 211 D CA 1.518 55.544 54.000 0.043 0.000 0.830 211 D CB -0.211 40.634 40.800 0.076 0.000 0.959 211 D HN 0.397 nan 8.370 nan 0.000 0.452 212 I N 0.531 121.087 120.570 -0.023 0.000 2.127 212 I HA -0.246 3.925 4.170 0.001 0.000 0.241 212 I C 2.530 178.601 176.117 -0.076 0.000 1.075 212 I CA 0.704 61.980 61.300 -0.040 0.000 1.334 212 I CB -0.289 37.700 38.000 -0.019 0.000 1.040 212 I HN -0.108 nan 8.210 nan 0.000 0.405 213 V N 1.003 120.874 119.914 -0.072 0.000 2.343 213 V HA -0.272 3.848 4.120 0.001 0.000 0.247 213 V C 2.373 178.336 176.094 -0.218 0.000 1.051 213 V CA 1.540 63.776 62.300 -0.107 0.000 1.036 213 V CB -0.408 31.381 31.823 -0.057 0.000 0.654 213 V HN 0.291 nan 8.190 nan 0.000 0.451 214 I N 1.013 121.403 120.570 -0.299 0.000 2.163 214 I HA -0.176 3.995 4.170 0.001 0.000 0.240 214 I C 2.800 178.621 176.117 -0.494 0.000 1.081 214 I CA 2.217 63.170 61.300 -0.579 0.000 1.353 214 I CB -1.549 35.990 38.000 -0.769 0.000 1.054 214 I HN 0.545 nan 8.210 nan 0.000 0.407 215 S N -0.031 115.486 115.700 -0.305 0.000 2.419 215 S HA -0.139 4.331 4.470 0.001 0.000 0.235 215 S C 2.068 176.580 174.600 -0.148 0.000 1.019 215 S CA 1.624 59.716 58.200 -0.181 0.000 0.982 215 S CB -0.456 62.692 63.200 -0.087 0.000 0.789 215 S HN 0.366 nan 8.310 nan 0.000 0.490 216 S N 1.676 117.278 115.700 -0.164 0.000 2.371 216 S HA 0.132 4.603 4.470 0.001 0.000 0.221 216 S C 1.841 176.357 174.600 -0.140 0.000 1.036 216 S CA 0.544 58.667 58.200 -0.129 0.000 0.965 216 S CB -0.232 62.899 63.200 -0.116 0.000 0.845 216 S HN 0.512 nan 8.310 nan 0.000 0.475 217 K N 0.942 121.219 120.400 -0.206 0.000 2.360 217 K HA 0.058 4.378 4.320 0.001 0.000 0.201 217 K C 1.800 178.395 176.600 -0.008 0.000 1.046 217 K CA 0.774 56.982 56.287 -0.132 0.000 0.945 217 K CB -0.238 32.156 32.500 -0.176 0.000 0.750 217 K HN 0.423 nan 8.250 nan 0.000 0.464 218 M N -0.557 118.981 119.600 -0.104 0.000 2.349 218 M HA -0.065 4.415 4.480 0.001 0.000 0.266 218 M C 2.115 178.466 176.300 0.085 0.000 1.076 218 M CA 1.102 56.448 55.300 0.077 0.000 1.126 218 M CB 0.005 32.612 32.600 0.011 0.000 1.392 218 M HN 0.091 nan 8.290 nan 0.000 0.440 219 A N 0.006 122.835 122.820 0.016 0.000 2.115 219 A HA 0.291 4.612 4.320 0.001 0.000 0.211 219 A C 1.047 178.623 177.584 -0.012 0.000 1.169 219 A CA -0.103 51.939 52.037 0.008 0.000 0.787 219 A CB -0.055 18.934 19.000 -0.019 0.000 0.858 219 A HN 0.283 nan 8.150 nan 0.000 0.474 220 L N 0.961 122.169 121.223 -0.025 0.000 2.464 220 L HA 0.247 4.587 4.340 0.001 0.000 0.264 220 L C 0.266 177.151 176.870 0.025 0.000 1.199 220 L CA -0.630 54.184 54.840 -0.044 0.000 0.818 220 L CB 0.609 42.636 42.059 -0.054 0.000 1.102 220 L HN 0.403 nan 8.230 nan 0.000 0.473 221 R N 1.543 122.059 120.500 0.027 0.000 2.298 221 R HA 0.222 4.563 4.340 0.001 0.000 0.310 221 R C -2.108 174.189 176.300 -0.006 0.000 1.068 221 R CA -1.501 54.611 56.100 0.021 0.000 0.957 221 R CB -0.216 30.090 30.300 0.010 0.000 1.003 221 R HN 0.295 nan 8.270 nan 0.000 0.454 222 P HA -0.220 nan 4.420 nan 0.000 0.222 222 P C 0.097 177.310 177.300 -0.144 0.000 1.142 222 P CA 1.281 64.375 63.100 -0.011 0.000 0.788 222 P CB 0.067 31.834 31.700 0.112 0.000 0.767 223 D N -1.858 118.266 120.400 -0.461 0.000 2.328 223 D HA -0.017 4.624 4.640 0.001 0.000 0.226 223 D C 0.462 176.740 176.300 -0.037 0.000 1.066 223 D CA 0.182 53.760 54.000 -0.703 0.000 0.861 223 D CB -0.021 40.094 40.800 -1.142 0.000 0.912 223 D HN 0.161 nan 8.370 nan 0.000 0.521 224 R N 0.428 120.909 120.500 -0.031 0.000 2.711 224 R HA 0.499 4.839 4.340 0.001 0.000 0.284 224 R C -2.739 173.355 176.300 -0.343 0.000 0.968 224 R CA -2.008 54.016 56.100 -0.128 0.000 0.924 224 R CB 1.497 31.739 30.300 -0.097 0.000 1.162 224 R HN -0.088 nan 8.270 nan 0.000 0.465 225 P HA 0.029 nan 4.420 nan 0.000 0.271 225 P C -0.878 176.177 177.300 -0.408 0.000 1.220 225 P CA -0.076 62.538 63.100 -0.810 0.000 0.768 225 P CB 0.701 31.903 31.700 -0.830 0.000 0.848 226 V N 4.686 124.398 119.914 -0.337 0.000 2.370 226 V HA 0.226 4.346 4.120 0.001 0.000 0.283 226 V C 0.028 175.948 176.094 -0.290 0.000 1.023 226 V CA -0.347 61.814 62.300 -0.231 0.000 0.857 226 V CB 0.840 32.556 31.823 -0.179 0.000 0.985 226 V HN 0.582 nan 8.190 nan 0.000 0.443 227 H N 5.515 124.343 119.070 -0.402 0.000 2.511 227 H HA 0.426 4.982 4.556 0.001 0.000 0.328 227 H C -0.917 174.126 175.328 -0.475 0.000 1.044 227 H CA -1.129 54.611 56.048 -0.513 0.000 1.212 227 H CB 1.822 31.224 29.762 -0.601 0.000 1.428 227 H HN 0.523 nan 8.280 nan 0.000 0.483 228 L N 7.656 128.776 121.223 -0.172 0.000 2.358 228 L HA 0.260 4.600 4.340 0.001 0.000 0.274 228 L C -0.728 176.204 176.870 0.102 0.000 1.136 228 L CA -0.169 54.611 54.840 -0.101 0.000 0.970 228 L CB -1.006 40.925 42.059 -0.213 0.000 1.314 228 L HN 0.533 nan 8.230 nan 0.000 0.427 229 F N 4.441 124.373 119.950 -0.030 0.000 2.604 229 F HA 0.129 4.657 4.527 0.001 0.000 0.390 229 F C 1.745 177.498 175.800 -0.078 0.000 1.053 229 F CA 1.261 59.173 58.000 -0.147 0.000 1.256 229 F CB 0.577 39.394 39.000 -0.304 0.000 0.996 229 F HN 0.793 nan 8.300 nan 0.000 0.564 230 G N 2.965 111.932 108.800 0.278 0.000 2.168 230 G HA2 -0.246 3.714 3.960 0.001 0.000 0.263 230 G HA3 -0.246 3.714 3.960 0.001 0.000 0.263 230 G C 0.005 174.971 174.900 0.110 0.000 0.977 230 G CA 0.021 45.153 45.100 0.053 0.000 0.659 230 G HN 1.184 nan 8.290 nan 0.000 0.533 231 A N 0.476 123.421 122.820 0.209 0.000 2.621 231 A HA 0.710 5.031 4.320 0.001 0.000 0.329 231 A C 1.166 178.961 177.584 0.352 0.000 1.458 231 A CA 0.890 53.099 52.037 0.286 0.000 1.052 231 A CB 0.376 19.606 19.000 0.384 0.000 1.142 231 A HN 1.495 nan 8.150 nan 0.000 0.523 232 G N 0.613 109.550 108.800 0.228 0.000 3.690 232 G HA2 0.226 4.187 3.960 0.001 0.000 0.283 232 G HA3 0.226 4.187 3.960 0.001 0.000 0.283 232 G C 0.171 175.126 174.900 0.092 0.000 1.057 232 G CA -0.063 45.151 45.100 0.191 0.000 0.821 232 G HN 0.725 nan 8.290 nan 0.000 0.526 233 H N 0.991 120.058 119.070 -0.004 0.000 2.511 233 H HA 0.311 4.868 4.556 0.001 0.000 0.328 233 H C -1.929 173.004 175.328 -0.660 0.000 1.044 233 H CA -2.033 53.875 56.048 -0.233 0.000 1.212 233 H CB 2.698 32.393 29.762 -0.111 0.000 1.428 233 H HN -0.106 nan 8.280 nan 0.000 0.483 234 P HA -0.184 nan 4.420 nan 0.000 0.219 234 P C 1.718 178.578 177.300 -0.734 0.000 1.145 234 P CA 0.985 63.198 63.100 -1.478 0.000 0.813 234 P CB 0.172 31.410 31.700 -0.770 0.000 0.771 235 I N -0.446 120.038 120.570 -0.143 0.000 2.454 235 I HA -0.168 4.003 4.170 0.001 0.000 0.254 235 I C 1.644 177.601 176.117 -0.267 0.000 1.156 235 I CA 1.334 62.511 61.300 -0.205 0.000 1.433 235 I CB 0.122 37.936 38.000 -0.309 0.000 1.082 235 I HN -0.105 nan 8.210 nan 0.000 0.432 236 V N -3.134 116.677 119.914 -0.172 0.000 3.471 236 V HA 0.014 4.135 4.120 0.001 0.000 0.258 236 V C 2.077 178.262 176.094 0.152 0.000 1.192 236 V CA 0.273 62.554 62.300 -0.032 0.000 1.116 236 V CB -0.954 30.953 31.823 0.139 0.000 0.792 236 V HN 0.309 nan 8.190 nan 0.000 0.459 237 F N 2.049 121.867 119.950 -0.220 0.000 2.024 237 F HA -0.305 4.222 4.527 0.001 0.000 0.296 237 F C 2.979 178.695 175.800 -0.140 0.000 1.137 237 F CA 2.105 59.888 58.000 -0.363 0.000 1.200 237 F CB -0.961 37.768 39.000 -0.452 0.000 0.954 237 F HN 0.353 nan 8.300 nan 0.000 0.497 238 A N 0.361 123.229 122.820 0.080 0.000 1.859 238 A HA -0.291 4.030 4.320 0.001 0.000 0.218 238 A C 1.986 179.557 177.584 -0.023 0.000 1.209 238 A CA 2.168 54.199 52.037 -0.010 0.000 0.639 238 A CB -1.319 17.651 19.000 -0.051 0.000 0.835 238 A HN 0.399 nan 8.150 nan 0.000 0.450 239 L N -0.417 120.802 121.223 -0.006 0.000 1.971 239 L HA -0.195 4.145 4.340 0.001 0.000 0.215 239 L C 2.822 179.740 176.870 0.081 0.000 1.072 239 L CA 2.729 57.586 54.840 0.029 0.000 0.758 239 L CB -0.941 41.141 42.059 0.038 0.000 0.889 239 L HN 0.428 nan 8.230 nan 0.000 0.433 240 A N -1.327 121.589 122.820 0.160 0.000 1.883 240 A HA -0.203 4.118 4.320 0.001 0.000 0.217 240 A C 2.286 179.960 177.584 0.150 0.000 1.186 240 A CA 2.282 54.444 52.037 0.208 0.000 0.624 240 A CB -1.289 17.957 19.000 0.411 0.000 0.822 240 A HN 0.342 nan 8.150 nan 0.000 0.444 241 V N -0.133 119.890 119.914 0.182 0.000 2.392 241 V HA -0.273 3.847 4.120 0.001 0.000 0.249 241 V C 2.978 179.049 176.094 -0.038 0.000 1.059 241 V CA 1.899 64.244 62.300 0.075 0.000 1.051 241 V CB -1.147 30.706 31.823 0.050 0.000 0.658 241 V HN 0.637 nan 8.190 nan 0.000 0.455 242 A N -0.944 121.811 122.820 -0.108 0.000 2.125 242 A HA -0.141 4.179 4.320 0.001 0.000 0.219 242 A C 2.064 179.609 177.584 -0.066 0.000 1.156 242 A CA 1.697 53.575 52.037 -0.266 0.000 0.671 242 A CB -0.450 18.233 19.000 -0.528 0.000 0.794 242 A HN 0.559 nan 8.150 nan 0.000 0.459 243 M N -1.517 118.119 119.600 0.060 0.000 2.428 243 M HA 0.219 4.700 4.480 0.001 0.000 0.239 243 M C 1.147 177.542 176.300 0.159 0.000 1.121 243 M CA 0.714 56.130 55.300 0.192 0.000 1.019 243 M CB 0.471 33.156 32.600 0.143 0.000 1.485 243 M HN 0.574 nan 8.290 nan 0.000 0.484 244 G N 1.038 109.866 108.800 0.046 0.000 2.130 244 G HA2 -0.172 3.788 3.960 0.001 0.000 0.216 244 G HA3 -0.172 3.788 3.960 0.001 0.000 0.216 244 G C -0.121 174.744 174.900 -0.058 0.000 0.999 244 G CA -0.448 44.648 45.100 -0.008 0.000 0.686 244 G HN 0.285 nan 8.290 nan 0.000 0.515 245 V N 0.727 120.587 119.914 -0.090 0.000 2.583 245 V HA 0.343 4.463 4.120 0.001 0.000 0.287 245 V C 0.924 176.859 176.094 -0.265 0.000 1.051 245 V CA 0.403 62.558 62.300 -0.241 0.000 1.010 245 V CB 1.558 33.157 31.823 -0.372 0.000 0.988 245 V HN 0.301 nan 8.190 nan 0.000 0.478 246 D N 2.850 123.046 120.400 -0.340 0.000 2.454 246 D HA 0.267 4.907 4.640 0.001 0.000 0.219 246 D C 0.031 176.114 176.300 -0.361 0.000 1.081 246 D CA 0.523 54.366 54.000 -0.261 0.000 0.867 246 D CB 1.166 41.817 40.800 -0.248 0.000 1.054 246 D HN 0.305 nan 8.370 nan 0.000 0.500 247 L N 0.461 121.310 121.223 -0.624 0.000 2.401 247 L HA 0.442 4.783 4.340 0.001 0.000 0.266 247 L C -1.204 175.012 176.870 -1.090 0.000 0.991 247 L CA -0.769 53.640 54.840 -0.717 0.000 0.818 247 L CB 2.192 43.797 42.059 -0.757 0.000 1.321 247 L HN -0.273 nan 8.230 nan 0.000 0.413 248 F N 0.205 119.781 119.950 -0.623 0.000 2.603 248 F HA 0.526 5.053 4.527 0.001 0.000 0.317 248 F C -0.602 174.967 175.800 -0.386 0.000 1.066 248 F CA -0.851 56.875 58.000 -0.458 0.000 0.941 248 F CB 2.135 40.875 39.000 -0.434 0.000 1.291 248 F HN 0.476 nan 8.300 nan 0.000 0.472 249 D N -0.651 119.789 120.400 0.068 0.000 2.964 249 D HA 0.494 5.135 4.640 0.001 0.000 0.234 249 D C -1.456 174.901 176.300 0.095 0.000 1.223 249 D CA -0.536 53.504 54.000 0.067 0.000 0.889 249 D CB 2.053 42.968 40.800 0.193 0.000 1.609 249 D HN 0.445 nan 8.370 nan 0.000 0.523 250 S N 1.252 116.971 115.700 0.031 0.000 2.500 250 S HA 0.695 5.165 4.470 0.001 0.000 0.301 250 S C -0.068 174.604 174.600 0.119 0.000 1.092 250 S CA -0.129 58.105 58.200 0.057 0.000 1.030 250 S CB 1.353 64.571 63.200 0.029 0.000 1.031 250 S HN 0.782 nan 8.310 nan 0.000 0.483 251 A N 3.055 125.910 122.820 0.059 0.000 2.226 251 A HA 0.301 4.621 4.320 0.001 0.000 0.207 251 A C 1.819 179.333 177.584 -0.116 0.000 1.293 251 A CA 0.415 52.454 52.037 0.004 0.000 0.968 251 A CB -0.521 18.458 19.000 -0.035 0.000 1.044 251 A HN 0.696 nan 8.150 nan 0.000 0.493 252 S N 0.085 115.704 115.700 -0.134 0.000 2.383 252 S HA -0.218 4.253 4.470 0.001 0.000 0.229 252 S C 1.827 176.200 174.600 -0.378 0.000 1.030 252 S CA 1.734 59.703 58.200 -0.386 0.000 1.002 252 S CB -0.792 62.005 63.200 -0.671 0.000 0.829 252 S HN 0.869 nan 8.310 nan 0.000 0.467 253 Y N 1.442 121.559 120.300 -0.305 0.000 2.181 253 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 253 Y C 2.182 178.020 175.900 -0.104 0.000 1.179 253 Y CA 0.980 58.944 58.100 -0.227 0.000 1.179 253 Y CB -0.724 37.598 38.460 -0.230 0.000 0.973 253 Y HN 0.197 nan 8.280 nan 0.000 0.519 254 A N 0.953 123.204 122.820 -0.949 0.000 1.924 254 A HA 0.137 4.457 4.320 0.001 0.000 0.211 254 A C 2.198 179.636 177.584 -0.244 0.000 1.198 254 A CA 0.664 52.303 52.037 -0.662 0.000 0.657 254 A CB -0.878 17.576 19.000 -0.911 0.000 0.852 254 A HN 0.489 nan 8.150 nan 0.000 0.454 255 L N -1.342 119.775 121.223 -0.176 0.000 2.081 255 L HA -0.253 4.087 4.340 0.001 0.000 0.212 255 L C 2.531 179.523 176.870 0.202 0.000 1.080 255 L CA 1.617 56.474 54.840 0.027 0.000 0.754 255 L CB -0.643 41.463 42.059 0.079 0.000 0.893 255 L HN 0.548 nan 8.230 nan 0.000 0.433 256 Y N -0.708 119.574 120.300 -0.031 0.000 2.220 256 Y HA -0.181 4.369 4.550 0.001 0.000 0.291 256 Y C 2.663 178.579 175.900 0.026 0.000 1.129 256 Y CA 0.244 58.359 58.100 0.024 0.000 1.161 256 Y CB -0.125 38.365 38.460 0.050 0.000 0.997 256 Y HN 0.176 nan 8.280 nan 0.000 0.522 257 A N 0.313 123.232 122.820 0.165 0.000 2.070 257 A HA -0.177 4.144 4.320 0.001 0.000 0.220 257 A C 1.932 179.555 177.584 0.066 0.000 1.159 257 A CA 1.329 53.427 52.037 0.103 0.000 0.656 257 A CB -0.385 18.646 19.000 0.051 0.000 0.800 257 A HN 0.368 nan 8.150 nan 0.000 0.453 258 K N -0.407 120.024 120.400 0.050 0.000 2.418 258 K HA -0.012 4.308 4.320 0.001 0.000 0.195 258 K C -0.237 176.385 176.600 0.036 0.000 1.035 258 K CA 0.821 57.128 56.287 0.032 0.000 1.003 258 K CB 0.164 32.676 32.500 0.019 0.000 0.793 258 K HN 0.376 nan 8.250 nan 0.000 0.494 259 D N 1.023 121.450 120.400 0.045 0.000 2.593 259 D HA 0.025 4.666 4.640 0.001 0.000 0.241 259 D C -0.705 175.612 176.300 0.028 0.000 1.257 259 D CA 0.044 54.058 54.000 0.023 0.000 0.828 259 D CB 0.550 41.348 40.800 -0.003 0.000 1.049 259 D HN 0.000 nan 8.370 nan 0.000 0.490 260 D N 1.422 121.854 120.400 0.054 0.000 2.737 260 D HA -0.196 4.445 4.640 0.001 0.000 0.233 260 D C 0.028 176.387 176.300 0.099 0.000 1.155 260 D CA 0.788 54.833 54.000 0.075 0.000 0.667 260 D CB -0.591 40.239 40.800 0.051 0.000 1.060 260 D HN 0.377 nan 8.370 nan 0.000 0.427 261 R N 0.237 120.802 120.500 0.109 0.000 2.312 261 R HA 0.399 4.739 4.340 0.001 0.000 0.311 261 R C -0.117 176.354 176.300 0.285 0.000 1.004 261 R CA -0.586 55.586 56.100 0.120 0.000 0.902 261 R CB 1.296 31.535 30.300 -0.102 0.000 1.073 261 R HN 0.134 nan 8.270 nan 0.000 0.457 262 Y N 3.160 123.555 120.300 0.160 0.000 2.341 262 Y HA 0.329 4.879 4.550 0.001 0.000 0.337 262 Y C -0.203 175.863 175.900 0.277 0.000 1.014 262 Y CA -0.636 57.579 58.100 0.192 0.000 1.111 262 Y CB 1.265 39.784 38.460 0.098 0.000 1.194 262 Y HN 0.450 nan 8.280 nan 0.000 0.462 263 M N 4.547 124.183 119.600 0.061 0.000 2.274 263 M HA 0.374 4.854 4.480 0.001 0.000 0.344 263 M C -0.565 175.741 176.300 0.010 0.000 1.161 263 M CA 0.012 55.330 55.300 0.030 0.000 1.126 263 M CB 1.485 33.955 32.600 -0.216 0.000 1.522 263 M HN 0.694 nan 8.290 nan 0.000 0.461 264 T N 1.644 116.268 114.554 0.115 0.000 2.900 264 T HA 0.326 4.677 4.350 0.001 0.000 0.303 264 T C -2.218 172.544 174.700 0.103 0.000 1.142 264 T CA -1.056 61.128 62.100 0.140 0.000 1.007 264 T CB 2.102 71.119 68.868 0.248 0.000 1.156 264 T HN 0.314 nan 8.240 nan 0.000 0.490 265 P HA 0.036 nan 4.420 nan 0.000 0.228 265 P C 0.360 177.678 177.300 0.031 0.000 1.151 265 P CA 0.871 63.962 63.100 -0.016 0.000 0.770 265 P CB 0.238 31.925 31.700 -0.023 0.000 0.786 266 E N -1.486 118.772 120.200 0.098 0.000 2.603 266 E HA 0.435 4.785 4.350 0.001 0.000 0.211 266 E C 0.884 177.583 176.600 0.165 0.000 0.995 266 E CA -0.072 56.390 56.400 0.104 0.000 0.990 266 E CB 0.553 30.314 29.700 0.100 0.000 1.036 266 E HN 0.104 nan 8.360 nan 0.000 0.475 267 G N -0.709 108.232 108.800 0.236 0.000 2.332 267 G HA2 0.073 4.034 3.960 0.001 0.000 0.265 267 G HA3 0.073 4.034 3.960 0.001 0.000 0.265 267 G C -0.910 174.250 174.900 0.434 0.000 1.329 267 G CA -0.670 44.597 45.100 0.279 0.000 0.949 267 G HN -0.049 nan 8.290 nan 0.000 0.476 268 T N 0.890 115.679 114.554 0.392 0.000 2.893 268 T HA 0.728 5.078 4.350 0.001 0.000 0.291 268 T C -0.604 174.256 174.700 0.267 0.000 1.028 268 T CA -0.644 61.697 62.100 0.402 0.000 0.995 268 T CB 1.996 71.114 68.868 0.418 0.000 1.051 268 T HN 0.629 nan 8.240 nan 0.000 0.470 269 K N 1.351 121.923 120.400 0.286 0.000 2.435 269 K HA 0.543 4.863 4.320 0.001 0.000 0.251 269 K C -0.675 176.020 176.600 0.159 0.000 0.954 269 K CA -1.053 55.354 56.287 0.201 0.000 0.820 269 K CB 2.636 35.262 32.500 0.211 0.000 1.292 269 K HN 0.365 nan 8.250 nan 0.000 0.436 270 R N 1.445 121.993 120.500 0.080 0.000 2.308 270 R HA 0.119 4.459 4.340 0.001 0.000 0.305 270 R C 1.164 177.481 176.300 0.029 0.000 1.053 270 R CA -0.440 55.689 56.100 0.048 0.000 0.957 270 R CB 0.635 30.945 30.300 0.016 0.000 1.022 270 R HN 0.455 nan 8.270 nan 0.000 0.461 271 L N 3.230 124.478 121.223 0.041 0.000 2.042 271 L HA -0.211 4.129 4.340 0.001 0.000 0.210 271 L C 1.631 178.474 176.870 -0.046 0.000 1.076 271 L CA 2.021 56.865 54.840 0.007 0.000 0.749 271 L CB -0.374 41.718 42.059 0.054 0.000 0.893 271 L HN 0.744 nan 8.230 nan 0.000 0.432 272 D N -1.078 119.305 120.400 -0.029 0.000 2.371 272 D HA -0.198 4.442 4.640 0.001 0.000 0.234 272 D C 1.314 177.581 176.300 -0.054 0.000 1.049 272 D CA 0.583 54.556 54.000 -0.045 0.000 0.907 272 D CB -0.237 40.547 40.800 -0.028 0.000 0.891 272 D HN 0.661 nan 8.370 nan 0.000 0.531 273 E N 0.220 120.388 120.200 -0.055 0.000 2.714 273 E HA 0.121 4.472 4.350 0.001 0.000 0.219 273 E C -0.412 176.144 176.600 -0.072 0.000 0.979 273 E CA -0.262 56.109 56.400 -0.049 0.000 1.092 273 E CB 0.453 30.141 29.700 -0.019 0.000 1.049 273 E HN 0.216 nan 8.360 nan 0.000 0.487 274 L N 1.560 122.705 121.223 -0.130 0.000 2.298 274 L HA 0.322 4.662 4.340 0.001 0.000 0.284 274 L C 0.019 176.711 176.870 -0.296 0.000 1.013 274 L CA -0.385 54.338 54.840 -0.196 0.000 0.824 274 L CB 1.544 43.429 42.059 -0.289 0.000 1.221 274 L HN -0.047 nan 8.230 nan 0.000 0.418 275 D N 1.522 121.759 120.400 -0.271 0.000 2.240 275 D HA 0.024 4.664 4.640 0.001 0.000 0.206 275 D C -0.797 175.006 176.300 -0.827 0.000 0.963 275 D CA 1.336 55.015 54.000 -0.535 0.000 0.863 275 D CB 0.313 40.787 40.800 -0.543 0.000 0.973 275 D HN 0.265 nan 8.370 nan 0.000 0.501 276 Y N -1.261 118.898 120.300 -0.234 0.000 2.576 276 Y HA 0.467 5.017 4.550 0.001 0.000 0.346 276 Y C -0.867 174.918 175.900 -0.192 0.000 1.018 276 Y CA -1.351 56.623 58.100 -0.211 0.000 1.050 276 Y CB 0.984 39.398 38.460 -0.076 0.000 1.280 276 Y HN -0.298 nan 8.280 nan 0.000 0.474 277 F N 3.822 123.818 119.950 0.077 0.000 2.350 277 F HA 0.356 4.883 4.527 0.001 0.000 0.365 277 F C -1.905 173.969 175.800 0.124 0.000 1.122 277 F CA -3.578 54.428 58.000 0.011 0.000 1.139 277 F CB 1.020 40.042 39.000 0.036 0.000 1.220 277 F HN 0.215 nan 8.300 nan 0.000 0.499 278 P HA 0.137 nan 4.420 nan 0.000 0.225 278 P C -0.351 177.116 177.300 0.279 0.000 1.768 278 P CA 0.311 63.571 63.100 0.267 0.000 0.943 278 P CB 0.279 32.123 31.700 0.239 0.000 1.936 279 C N -0.323 119.138 119.300 0.269 0.000 3.307 279 C HA 0.465 4.926 4.460 0.001 0.000 0.333 279 C C 0.448 175.520 174.990 0.138 0.000 1.291 279 C CA -0.214 58.930 59.018 0.210 0.000 1.273 279 C CB 1.560 29.482 27.740 0.302 0.000 1.580 279 C HN 0.240 nan 8.230 nan 0.000 0.481 280 S N 1.142 116.879 115.700 0.063 0.000 2.754 280 S HA 0.196 4.666 4.470 0.001 0.000 0.247 280 S C 0.442 174.987 174.600 -0.091 0.000 1.031 280 S CA 0.106 58.309 58.200 0.006 0.000 1.014 280 S CB -0.606 62.590 63.200 -0.006 0.000 0.918 280 S HN 1.171 nan 8.310 nan 0.000 0.519 281 C N 1.271 120.503 119.300 -0.114 0.000 2.745 281 C HA 0.324 4.784 4.460 0.001 0.000 0.387 281 C C -1.102 173.678 174.990 -0.350 0.000 1.312 281 C CA -1.105 57.699 59.018 -0.355 0.000 2.204 281 C CB 0.004 27.581 27.740 -0.272 0.000 2.686 281 C HN 0.193 nan 8.230 nan 0.000 0.705 282 P HA -0.123 nan 4.420 nan 0.000 0.219 282 P C 1.506 178.780 177.300 -0.043 0.000 1.144 282 P CA 1.418 64.347 63.100 -0.286 0.000 0.806 282 P CB -0.056 31.461 31.700 -0.305 0.000 0.771 283 V N -1.436 118.468 119.914 -0.017 0.000 2.391 283 V HA -0.142 3.979 4.120 0.001 0.000 0.237 283 V C 2.319 178.493 176.094 0.133 0.000 1.046 283 V CA 1.682 64.050 62.300 0.112 0.000 1.053 283 V CB -1.254 30.595 31.823 0.044 0.000 0.704 283 V HN 0.111 nan 8.190 nan 0.000 0.475 284 C N 0.059 119.343 119.300 -0.027 0.000 2.430 284 C HA -0.078 4.383 4.460 0.001 0.000 0.288 284 C C 3.109 178.181 174.990 0.138 0.000 1.448 284 C CA 1.241 60.237 59.018 -0.036 0.000 1.784 284 C CB -1.276 26.409 27.740 -0.092 0.000 1.776 284 C HN 0.613 nan 8.230 nan 0.000 0.547 285 S N 0.889 116.631 115.700 0.070 0.000 2.436 285 S HA -0.086 4.385 4.470 0.001 0.000 0.228 285 S C 1.855 176.490 174.600 0.058 0.000 1.014 285 S CA 1.351 59.578 58.200 0.044 0.000 0.950 285 S CB -0.078 63.102 63.200 -0.032 0.000 0.784 285 S HN 0.890 nan 8.310 nan 0.000 0.504 286 K N -1.409 119.043 120.400 0.086 0.000 2.438 286 K HA 0.235 4.556 4.320 0.001 0.000 0.206 286 K C -0.675 175.846 176.600 -0.132 0.000 1.081 286 K CA -0.381 55.881 56.287 -0.042 0.000 1.053 286 K CB 0.204 32.612 32.500 -0.153 0.000 0.908 286 K HN 0.239 nan 8.250 nan 0.000 0.556 287 Y N 1.515 121.901 120.300 0.144 0.000 2.524 287 Y HA 0.368 4.919 4.550 0.001 0.000 0.344 287 Y C 0.232 176.319 175.900 0.311 0.000 1.012 287 Y CA -0.948 57.267 58.100 0.193 0.000 1.068 287 Y CB 2.030 40.618 38.460 0.214 0.000 1.249 287 Y HN 0.030 nan 8.280 nan 0.000 0.468 288 T N -1.842 112.897 114.554 0.309 0.000 2.945 288 T HA 0.352 4.703 4.350 0.001 0.000 0.286 288 T C -2.361 172.192 174.700 -0.245 0.000 1.025 288 T CA -2.427 59.673 62.100 0.001 0.000 1.039 288 T CB 1.955 70.778 68.868 -0.075 0.000 1.068 288 T HN 0.234 nan 8.240 nan 0.000 0.497 289 P HA -0.225 nan 4.420 nan 0.000 0.216 289 P C 2.047 179.179 177.300 -0.281 0.000 1.153 289 P CA 1.289 63.908 63.100 -0.802 0.000 0.858 289 P CB 0.020 31.191 31.700 -0.882 0.000 0.789 290 Q N 0.226 119.887 119.800 -0.232 0.000 2.084 290 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 290 Q C 1.861 177.840 176.000 -0.035 0.000 0.978 290 Q CA 1.684 57.414 55.803 -0.121 0.000 0.844 290 Q CB -1.285 27.382 28.738 -0.119 0.000 0.898 290 Q HN 0.352 nan 8.270 nan 0.000 0.426 291 E N 0.505 120.712 120.200 0.012 0.000 2.085 291 E HA -0.108 4.242 4.350 0.001 0.000 0.194 291 E C 2.096 178.781 176.600 0.141 0.000 0.994 291 E CA 0.735 57.200 56.400 0.109 0.000 0.801 291 E CB -0.019 29.802 29.700 0.202 0.000 0.743 291 E HN 0.202 nan 8.360 nan 0.000 0.453 292 L N 0.926 122.234 121.223 0.141 0.000 2.141 292 L HA -0.131 4.210 4.340 0.001 0.000 0.209 292 L C 2.057 178.959 176.870 0.054 0.000 1.094 292 L CA 1.526 56.429 54.840 0.106 0.000 0.763 292 L CB -0.448 41.743 42.059 0.220 0.000 0.908 292 L HN 0.117 nan 8.230 nan 0.000 0.437 293 R N -0.720 119.797 120.500 0.028 0.000 2.189 293 R HA -0.139 4.201 4.340 0.001 0.000 0.218 293 R C 1.835 178.143 176.300 0.013 0.000 1.074 293 R CA 0.583 56.689 56.100 0.010 0.000 0.991 293 R CB 0.081 30.370 30.300 -0.018 0.000 0.883 293 R HN 0.251 nan 8.270 nan 0.000 0.457 294 E N 0.662 120.876 120.200 0.023 0.000 2.072 294 E HA 0.003 4.354 4.350 0.001 0.000 0.190 294 E C 0.516 177.135 176.600 0.032 0.000 0.982 294 E CA 0.733 57.148 56.400 0.026 0.000 0.803 294 E CB 0.064 29.785 29.700 0.035 0.000 0.755 294 E HN 0.162 nan 8.360 nan 0.000 0.453 295 M N 1.453 121.077 119.600 0.040 0.000 2.247 295 M HA 0.055 4.536 4.480 0.001 0.000 0.318 295 M C -1.983 174.331 176.300 0.023 0.000 1.054 295 M CA -1.182 54.139 55.300 0.035 0.000 1.117 295 M CB -0.347 32.266 32.600 0.022 0.000 1.515 295 M HN -0.186 nan 8.290 nan 0.000 0.442 296 P HA -0.023 nan 4.420 nan 0.000 0.268 296 P C 0.297 177.606 177.300 0.015 0.000 1.208 296 P CA -0.149 62.962 63.100 0.018 0.000 0.777 296 P CB 0.452 32.164 31.700 0.020 0.000 0.875 297 K N 2.446 122.854 120.400 0.014 0.000 2.228 297 K HA -0.242 4.079 4.320 0.001 0.000 0.205 297 K C 1.586 178.194 176.600 0.013 0.000 1.045 297 K CA 1.806 58.102 56.287 0.014 0.000 0.931 297 K CB -0.165 32.343 32.500 0.013 0.000 0.727 297 K HN 0.559 nan 8.250 nan 0.000 0.458 298 E N 0.275 120.482 120.200 0.013 0.000 2.033 298 E HA -0.158 4.192 4.350 0.001 0.000 0.189 298 E C 1.884 178.491 176.600 0.011 0.000 0.979 298 E CA 0.786 57.194 56.400 0.012 0.000 0.802 298 E CB -0.039 29.669 29.700 0.014 0.000 0.763 298 E HN 0.351 nan 8.360 nan 0.000 0.449 299 E N 0.639 120.845 120.200 0.010 0.000 2.153 299 E HA -0.237 4.113 4.350 0.001 0.000 0.194 299 E C 2.264 178.853 176.600 -0.019 0.000 0.988 299 E CA 0.762 57.162 56.400 -0.000 0.000 0.811 299 E CB 0.001 29.703 29.700 0.002 0.000 0.746 299 E HN 0.096 nan 8.360 nan 0.000 0.466 300 R N -0.283 120.212 120.500 -0.009 0.000 2.081 300 R HA -0.106 4.234 4.340 0.001 0.000 0.235 300 R C 2.147 178.455 176.300 0.013 0.000 1.131 300 R CA 1.885 57.982 56.100 -0.004 0.000 0.960 300 R CB -0.216 30.093 30.300 0.014 0.000 0.856 300 R HN 0.175 nan 8.270 nan 0.000 0.436 301 T N 0.799 115.364 114.554 0.018 0.000 2.708 301 T HA -0.090 4.260 4.350 0.001 0.000 0.266 301 T C 1.833 176.548 174.700 0.027 0.000 1.037 301 T CA 0.758 62.873 62.100 0.024 0.000 1.146 301 T CB -0.162 68.714 68.868 0.013 0.000 0.865 301 T HN 0.205 nan 8.240 nan 0.000 0.435 302 R N 0.785 121.298 120.500 0.021 0.000 2.113 302 R HA -0.043 4.297 4.340 0.001 0.000 0.231 302 R C 2.517 178.845 176.300 0.048 0.000 1.129 302 R CA 1.381 57.502 56.100 0.034 0.000 0.915 302 R CB -1.098 29.220 30.300 0.030 0.000 0.837 302 R HN 0.396 nan 8.270 nan 0.000 0.430 303 L N 0.861 122.090 121.223 0.010 0.000 2.081 303 L HA -0.239 4.101 4.340 0.001 0.000 0.212 303 L C 2.612 179.518 176.870 0.060 0.000 1.080 303 L CA 1.263 56.100 54.840 -0.006 0.000 0.754 303 L CB -0.491 41.472 42.059 -0.160 0.000 0.893 303 L HN 0.266 nan 8.230 nan 0.000 0.433 304 L N -0.674 120.592 121.223 0.073 0.000 2.044 304 L HA -0.159 4.181 4.340 0.001 0.000 0.205 304 L C 2.910 179.881 176.870 0.168 0.000 1.075 304 L CA 1.076 55.999 54.840 0.139 0.000 0.747 304 L CB -0.621 41.523 42.059 0.142 0.000 0.903 304 L HN 0.228 nan 8.230 nan 0.000 0.435 305 A N 0.274 123.167 122.820 0.121 0.000 1.883 305 A HA -0.221 4.100 4.320 0.001 0.000 0.217 305 A C 2.217 179.915 177.584 0.189 0.000 1.186 305 A CA 1.629 53.748 52.037 0.136 0.000 0.624 305 A CB -0.838 18.206 19.000 0.074 0.000 0.822 305 A HN 0.371 nan 8.150 nan 0.000 0.444 306 L N -1.392 119.936 121.223 0.175 0.000 2.083 306 L HA -0.228 4.112 4.340 0.001 0.000 0.209 306 L C 2.629 179.667 176.870 0.280 0.000 1.083 306 L CA 1.802 56.765 54.840 0.206 0.000 0.752 306 L CB -0.671 41.535 42.059 0.245 0.000 0.899 306 L HN 0.756 nan 8.230 nan 0.000 0.433 307 H N 0.256 119.419 119.070 0.156 0.000 2.299 307 H HA -0.138 4.418 4.556 0.001 0.000 0.302 307 H C 2.124 177.469 175.328 0.028 0.000 1.078 307 H CA 1.946 58.048 56.048 0.089 0.000 1.323 307 H CB -0.035 29.670 29.762 -0.094 0.000 1.381 307 H HN 0.180 nan 8.280 nan 0.000 0.498 308 N N 0.563 119.124 118.700 -0.231 0.000 2.094 308 N HA -0.156 4.584 4.740 0.001 0.000 0.191 308 N C 2.136 177.510 175.510 -0.228 0.000 1.023 308 N CA 1.483 54.367 53.050 -0.277 0.000 0.857 308 N CB -0.341 38.125 38.487 -0.035 0.000 1.013 308 N HN 0.420 nan 8.380 nan 0.000 0.426 309 L N -1.197 119.950 121.223 -0.127 0.000 2.093 309 L HA -0.102 4.238 4.340 0.001 0.000 0.208 309 L C 2.152 178.942 176.870 -0.133 0.000 1.085 309 L CA 0.913 55.645 54.840 -0.180 0.000 0.755 309 L CB -0.350 41.568 42.059 -0.235 0.000 0.904 309 L HN 0.213 nan 8.230 nan 0.000 0.435 310 W N -0.839 120.392 121.300 -0.115 0.000 2.402 310 W HA -0.141 4.519 4.660 0.001 0.000 0.286 310 W C 2.387 178.798 176.519 -0.180 0.000 1.221 310 W CA 0.615 57.888 57.345 -0.120 0.000 1.257 310 W CB -0.317 29.069 29.460 -0.123 0.000 1.120 310 W HN -0.146 nan 8.180 nan 0.000 0.551 311 V N 0.411 120.250 119.914 -0.126 0.000 2.307 311 V HA -0.300 3.820 4.120 0.001 0.000 0.245 311 V C 1.935 177.953 176.094 -0.127 0.000 1.045 311 V CA 1.576 63.761 62.300 -0.192 0.000 1.024 311 V CB -0.821 30.767 31.823 -0.390 0.000 0.651 311 V HN 0.135 nan 8.190 nan 0.000 0.449 312 I N 0.154 120.648 120.570 -0.128 0.000 2.099 312 I HA -0.313 3.857 4.170 0.001 0.000 0.239 312 I C 2.617 178.801 176.117 0.111 0.000 1.066 312 I CA 2.195 63.495 61.300 0.001 0.000 1.324 312 I CB -0.527 37.479 38.000 0.009 0.000 1.037 312 I HN 0.288 nan 8.210 nan 0.000 0.401 313 K N 1.122 121.556 120.400 0.057 0.000 2.074 313 K HA -0.287 4.033 4.320 0.001 0.000 0.209 313 K C 2.104 178.710 176.600 0.011 0.000 1.048 313 K CA 2.074 58.352 56.287 -0.014 0.000 0.926 313 K CB -0.141 32.233 32.500 -0.210 0.000 0.713 313 K HN 0.331 nan 8.250 nan 0.000 0.444 314 E N 0.041 120.271 120.200 0.049 0.000 2.072 314 E HA -0.185 4.166 4.350 0.001 0.000 0.190 314 E C 1.859 178.480 176.600 0.035 0.000 0.982 314 E CA 0.770 57.204 56.400 0.056 0.000 0.803 314 E CB 0.117 29.863 29.700 0.077 0.000 0.755 314 E HN 0.263 nan 8.360 nan 0.000 0.453 315 E N 0.693 120.912 120.200 0.033 0.000 2.110 315 E HA -0.174 4.176 4.350 0.001 0.000 0.193 315 E C 2.105 178.759 176.600 0.090 0.000 0.988 315 E CA 0.597 57.021 56.400 0.041 0.000 0.804 315 E CB -0.076 29.613 29.700 -0.018 0.000 0.745 315 E HN 0.348 nan 8.360 nan 0.000 0.458 316 I N 1.291 121.926 120.570 0.109 0.000 2.142 316 I HA -0.277 3.893 4.170 0.001 0.000 0.240 316 I C 2.214 178.323 176.117 -0.014 0.000 1.078 316 I CA 1.301 62.607 61.300 0.011 0.000 1.343 316 I CB -0.892 37.075 38.000 -0.056 0.000 1.046 316 I HN 0.097 nan 8.210 nan 0.000 0.405 317 K N 0.041 120.435 120.400 -0.010 0.000 2.103 317 K HA -0.222 4.099 4.320 0.001 0.000 0.207 317 K C 2.225 178.819 176.600 -0.010 0.000 1.048 317 K CA 1.337 57.614 56.287 -0.016 0.000 0.930 317 K CB -0.221 32.275 32.500 -0.007 0.000 0.716 317 K HN 0.237 nan 8.250 nan 0.000 0.444 318 R N 0.984 121.485 120.500 0.002 0.000 2.073 318 R HA -0.118 4.223 4.340 0.001 0.000 0.234 318 R C 2.143 178.436 176.300 -0.013 0.000 1.134 318 R CA 1.172 57.272 56.100 -0.000 0.000 0.952 318 R CB -0.161 30.144 30.300 0.007 0.000 0.850 318 R HN -0.030 nan 8.270 nan 0.000 0.433 319 V N 1.521 121.427 119.914 -0.014 0.000 2.343 319 V HA -0.244 3.876 4.120 0.001 0.000 0.247 319 V C 2.244 178.310 176.094 -0.047 0.000 1.051 319 V CA 1.922 64.201 62.300 -0.034 0.000 1.036 319 V CB -0.395 31.411 31.823 -0.029 0.000 0.654 319 V HN 0.378 nan 8.190 nan 0.000 0.451 320 K N -0.293 120.082 120.400 -0.041 0.000 2.057 320 K HA -0.253 4.067 4.320 0.001 0.000 0.207 320 K C 2.263 178.837 176.600 -0.044 0.000 1.049 320 K CA 1.687 57.946 56.287 -0.046 0.000 0.931 320 K CB -0.211 32.263 32.500 -0.044 0.000 0.714 320 K HN 0.347 nan 8.250 nan 0.000 0.440 321 Q N 1.005 120.785 119.800 -0.034 0.000 2.226 321 Q HA -0.080 4.260 4.340 0.001 0.000 0.204 321 Q C 1.690 177.668 176.000 -0.036 0.000 0.975 321 Q CA 1.655 57.440 55.803 -0.030 0.000 0.866 321 Q CB -0.146 28.582 28.738 -0.017 0.000 0.915 321 Q HN 0.295 nan 8.270 nan 0.000 0.440 322 A N 0.083 122.878 122.820 -0.041 0.000 1.897 322 A HA -0.069 4.252 4.320 0.001 0.000 0.215 322 A C 2.105 179.645 177.584 -0.075 0.000 1.181 322 A CA 1.240 53.245 52.037 -0.052 0.000 0.620 322 A CB -0.592 18.373 19.000 -0.058 0.000 0.821 322 A HN 0.452 nan 8.150 nan 0.000 0.443 323 I N -0.815 119.706 120.570 -0.082 0.000 2.142 323 I HA -0.257 3.913 4.170 0.001 0.000 0.240 323 I C 2.483 178.554 176.117 -0.076 0.000 1.078 323 I CA 1.671 62.916 61.300 -0.091 0.000 1.343 323 I CB -0.251 37.699 38.000 -0.084 0.000 1.046 323 I HN 0.153 nan 8.210 nan 0.000 0.405 324 K N 1.241 121.603 120.400 -0.063 0.000 2.127 324 K HA -0.217 4.103 4.320 0.001 0.000 0.208 324 K C 1.576 178.137 176.600 -0.066 0.000 1.047 324 K CA 1.624 57.876 56.287 -0.059 0.000 0.927 324 K CB -0.214 32.258 32.500 -0.048 0.000 0.716 324 K HN 0.575 nan 8.250 nan 0.000 0.450 325 E N -1.682 118.480 120.200 -0.064 0.000 2.476 325 E HA 0.167 4.517 4.350 0.001 0.000 0.196 325 E C 0.571 177.120 176.600 -0.085 0.000 1.029 325 E CA 0.403 56.762 56.400 -0.068 0.000 0.896 325 E CB 0.287 29.957 29.700 -0.049 0.000 1.012 325 E HN 0.209 nan 8.360 nan 0.000 0.475 326 G N 2.038 110.784 108.800 -0.090 0.000 2.198 326 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 326 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 326 G C 0.338 175.186 174.900 -0.085 0.000 1.025 326 G CA 0.391 45.435 45.100 -0.092 0.000 0.769 326 G HN 0.322 nan 8.290 nan 0.000 0.507 327 E N -0.486 119.663 120.200 -0.085 0.000 2.558 327 E HA 0.196 4.547 4.350 0.001 0.000 0.205 327 E C 2.098 178.646 176.600 -0.088 0.000 1.006 327 E CA -0.665 55.694 56.400 -0.068 0.000 0.961 327 E CB 0.200 29.884 29.700 -0.027 0.000 1.044 327 E HN 0.466 nan 8.360 nan 0.000 0.465 328 L N -0.559 120.569 121.223 -0.158 0.000 2.127 328 L HA -0.116 4.225 4.340 0.001 0.000 0.211 328 L C 1.369 178.047 176.870 -0.321 0.000 1.089 328 L CA 1.610 56.300 54.840 -0.250 0.000 0.757 328 L CB -0.347 41.508 42.059 -0.341 0.000 0.899 328 L HN 0.316 nan 8.230 nan 0.000 0.434 329 W N 0.066 121.175 121.300 -0.318 0.000 2.418 329 W HA -0.097 4.563 4.660 0.001 0.000 0.292 329 W C 2.830 179.217 176.519 -0.219 0.000 1.213 329 W CA 0.479 57.545 57.345 -0.466 0.000 1.283 329 W CB -0.167 28.536 29.460 -1.262 0.000 1.119 329 W HN 0.065 nan 8.180 nan 0.000 0.542 330 R N 0.414 120.961 120.500 0.079 0.000 2.080 330 R HA -0.216 4.125 4.340 0.001 0.000 0.236 330 R C 2.147 178.563 176.300 0.193 0.000 1.137 330 R CA 1.827 58.109 56.100 0.303 0.000 0.943 330 R CB -1.013 29.457 30.300 0.284 0.000 0.846 330 R HN 0.192 nan 8.270 nan 0.000 0.431 331 L N 0.888 122.156 121.223 0.074 0.000 2.013 331 L HA -0.180 4.160 4.340 0.001 0.000 0.212 331 L C 2.221 179.085 176.870 -0.011 0.000 1.073 331 L CA 1.630 56.484 54.840 0.023 0.000 0.753 331 L CB -0.612 41.432 42.059 -0.025 0.000 0.890 331 L HN -0.025 nan 8.230 nan 0.000 0.432 332 V N -0.051 119.835 119.914 -0.046 0.000 2.287 332 V HA -0.322 3.798 4.120 0.001 0.000 0.248 332 V C 2.484 178.433 176.094 -0.242 0.000 1.053 332 V CA 2.092 64.317 62.300 -0.124 0.000 1.027 332 V CB -0.886 30.882 31.823 -0.091 0.000 0.646 332 V HN 0.594 nan 8.190 nan 0.000 0.447 333 D N -0.163 120.185 120.400 -0.088 0.000 2.123 333 D HA -0.239 4.401 4.640 0.001 0.000 0.196 333 D C 2.226 178.539 176.300 0.021 0.000 0.992 333 D CA 1.833 55.805 54.000 -0.046 0.000 0.833 333 D CB 0.087 41.153 40.800 0.442 0.000 0.954 333 D HN 0.651 nan 8.370 nan 0.000 0.455 334 E N -0.181 120.056 120.200 0.062 0.000 2.051 334 E HA -0.184 4.166 4.350 0.001 0.000 0.192 334 E C 2.083 178.693 176.600 0.017 0.000 0.991 334 E CA 0.731 57.163 56.400 0.054 0.000 0.799 334 E CB 0.132 29.869 29.700 0.061 0.000 0.748 334 E HN 0.053 nan 8.360 nan 0.000 0.449 335 R N -0.064 120.424 120.500 -0.019 0.000 2.235 335 R HA 0.013 4.354 4.340 0.001 0.000 0.213 335 R C 2.001 178.283 176.300 -0.029 0.000 1.059 335 R CA 0.829 56.910 56.100 -0.032 0.000 0.997 335 R CB -0.434 29.829 30.300 -0.062 0.000 0.884 335 R HN 0.247 nan 8.270 nan 0.000 0.462 336 A N 1.286 124.080 122.820 -0.043 0.000 2.121 336 A HA -0.091 4.229 4.320 0.001 0.000 0.218 336 A C 1.485 179.160 177.584 0.152 0.000 1.154 336 A CA 0.834 52.905 52.037 0.057 0.000 0.679 336 A CB -0.065 18.956 19.000 0.035 0.000 0.795 336 A HN 0.056 nan 8.150 nan 0.000 0.458 337 R N 0.243 120.788 120.500 0.075 0.000 2.363 337 R HA 0.211 4.552 4.340 0.001 0.000 0.236 337 R C 1.041 177.374 176.300 0.055 0.000 0.966 337 R CA 0.522 56.645 56.100 0.037 0.000 1.100 337 R CB -0.801 29.500 30.300 0.003 0.000 1.125 337 R HN 0.432 nan 8.270 nan 0.000 0.514 338 S N -0.302 115.452 115.700 0.089 0.000 2.446 338 S HA 0.002 4.472 4.470 0.001 0.000 0.225 338 S C 0.440 175.166 174.600 0.211 0.000 1.016 338 S CA 0.618 58.889 58.200 0.117 0.000 0.943 338 S CB 0.046 63.300 63.200 0.091 0.000 0.786 338 S HN 0.433 nan 8.310 nan 0.000 0.508 339 H N -1.185 117.961 119.070 0.127 0.000 3.094 339 H HA 0.221 4.778 4.556 0.001 0.000 0.346 339 H C -2.827 172.642 175.328 0.234 0.000 1.238 339 H CA -1.259 54.904 56.048 0.191 0.000 1.209 339 H CB 1.566 31.521 29.762 0.322 0.000 1.911 339 H HN -0.243 nan 8.280 nan 0.000 0.540 340 P HA -0.119 nan 4.420 nan 0.000 0.216 340 P C 0.982 178.580 177.300 0.496 0.000 1.153 340 P CA 1.540 64.810 63.100 0.283 0.000 0.858 340 P CB 0.467 32.224 31.700 0.095 0.000 0.789 341 K N -0.977 119.870 120.400 0.744 0.000 2.217 341 K HA 0.013 4.333 4.320 0.001 0.000 0.202 341 K C 1.914 178.865 176.600 0.586 0.000 1.051 341 K CA 0.670 57.309 56.287 0.587 0.000 0.952 341 K CB -0.895 31.935 32.500 0.550 0.000 0.736 341 K HN 0.100 nan 8.250 nan 0.000 0.453 342 L N -0.381 121.161 121.223 0.531 0.000 2.179 342 L HA -0.111 4.229 4.340 0.001 0.000 0.208 342 L C 1.878 178.941 176.870 0.322 0.000 1.096 342 L CA 1.082 56.048 54.840 0.210 0.000 0.779 342 L CB -0.161 41.854 42.059 -0.073 0.000 0.922 342 L HN 0.244 nan 8.230 nan 0.000 0.443 343 Y N -0.263 120.189 120.300 0.254 0.000 2.242 343 Y HA -0.233 4.318 4.550 0.001 0.000 0.291 343 Y C 2.823 178.884 175.900 0.268 0.000 1.137 343 Y CA 1.567 59.829 58.100 0.270 0.000 1.181 343 Y CB -0.439 38.148 38.460 0.211 0.000 0.989 343 Y HN 0.134 nan 8.280 nan 0.000 0.527 344 S N 0.005 115.797 115.700 0.155 0.000 2.356 344 S HA -0.176 4.295 4.470 0.001 0.000 0.223 344 S C 2.345 176.989 174.600 0.074 0.000 1.032 344 S CA 1.401 59.609 58.200 0.012 0.000 1.005 344 S CB -0.908 62.364 63.200 0.120 0.000 0.867 344 S HN 0.652 nan 8.310 nan 0.000 0.449 345 A N 0.868 123.813 122.820 0.208 0.000 1.865 345 A HA -0.126 4.194 4.320 0.001 0.000 0.217 345 A C 2.046 179.789 177.584 0.266 0.000 1.191 345 A CA 2.025 54.206 52.037 0.239 0.000 0.623 345 A CB -1.447 17.737 19.000 0.307 0.000 0.826 345 A HN 0.744 nan 8.150 nan 0.000 0.444 346 Y N 0.980 121.368 120.300 0.147 0.000 2.040 346 Y HA -0.291 4.259 4.550 0.001 0.000 0.275 346 Y C 2.208 178.189 175.900 0.135 0.000 1.171 346 Y CA 2.342 60.558 58.100 0.193 0.000 1.123 346 Y CB -0.828 37.772 38.460 0.234 0.000 0.963 346 Y HN 0.339 nan 8.280 nan 0.000 0.493 347 K N -0.441 119.868 120.400 -0.152 0.000 2.044 347 K HA -0.276 4.045 4.320 0.001 0.000 0.210 347 K C 2.315 178.831 176.600 -0.140 0.000 1.049 347 K CA 2.037 58.142 56.287 -0.304 0.000 0.927 347 K CB -0.298 31.984 32.500 -0.364 0.000 0.713 347 K HN 0.117 nan 8.250 nan 0.000 0.443 348 R N 0.991 121.467 120.500 -0.040 0.000 2.096 348 R HA -0.110 4.230 4.340 0.001 0.000 0.235 348 R C 2.046 178.382 176.300 0.060 0.000 1.127 348 R CA 1.059 57.152 56.100 -0.012 0.000 0.968 348 R CB -0.584 29.750 30.300 0.057 0.000 0.861 348 R HN 0.157 nan 8.270 nan 0.000 0.440 349 L N 0.182 121.536 121.223 0.218 0.000 2.131 349 L HA -0.043 4.298 4.340 0.001 0.000 0.210 349 L C 1.611 178.683 176.870 0.336 0.000 1.092 349 L CA 1.688 56.764 54.840 0.394 0.000 0.759 349 L CB -0.253 42.101 42.059 0.491 0.000 0.903 349 L HN 0.289 nan 8.230 nan 0.000 0.435 350 L N -1.078 120.231 121.223 0.143 0.000 2.478 350 L HA -0.082 4.258 4.340 0.001 0.000 0.223 350 L C 2.210 179.101 176.870 0.034 0.000 1.140 350 L CA 0.529 55.401 54.840 0.053 0.000 0.842 350 L CB -0.393 41.590 42.059 -0.126 0.000 0.953 350 L HN 0.347 nan 8.230 nan 0.000 0.452 351 E N -0.773 119.397 120.200 -0.051 0.000 2.274 351 E HA -0.114 4.237 4.350 0.001 0.000 0.194 351 E C 0.560 177.107 176.600 -0.089 0.000 0.996 351 E CA 0.407 56.729 56.400 -0.130 0.000 0.840 351 E CB 0.196 29.741 29.700 -0.258 0.000 0.772 351 E HN 0.499 nan 8.360 nan 0.000 0.491 352 H N -0.037 119.143 119.070 0.184 0.000 2.794 352 H HA -0.030 4.527 4.556 0.001 0.000 0.256 352 H C 0.548 176.047 175.328 0.283 0.000 1.637 352 H CA -0.049 56.137 56.048 0.230 0.000 1.222 352 H CB -0.403 29.511 29.762 0.253 0.000 1.545 352 H HN 0.288 nan 8.280 nan 0.000 0.518 353 Y N 2.120 122.533 120.300 0.188 0.000 2.081 353 Y HA -0.312 4.239 4.550 0.001 0.000 0.280 353 Y C 2.082 178.071 175.900 0.148 0.000 1.163 353 Y CA 2.058 60.240 58.100 0.137 0.000 1.135 353 Y CB -0.328 38.171 38.460 0.064 0.000 0.970 353 Y HN 0.174 nan 8.280 nan 0.000 0.498 354 T N 1.150 115.716 114.554 0.020 0.000 2.624 354 T HA -0.292 4.059 4.350 0.001 0.000 0.268 354 T C 1.537 176.197 174.700 -0.066 0.000 1.041 354 T CA 1.963 64.006 62.100 -0.096 0.000 1.159 354 T CB -0.929 67.984 68.868 0.075 0.000 0.863 354 T HN 0.485 nan 8.240 nan 0.000 0.434 355 F N 1.596 121.549 119.950 0.005 0.000 2.051 355 F HA -0.015 4.513 4.527 0.001 0.000 0.296 355 F C 2.027 177.873 175.800 0.077 0.000 1.122 355 F CA 1.162 59.196 58.000 0.056 0.000 1.201 355 F CB -0.730 38.349 39.000 0.132 0.000 0.978 355 F HN 0.050 nan 8.300 nan 0.000 0.472 356 L N 0.312 121.547 121.223 0.020 0.000 2.013 356 L HA -0.242 4.099 4.340 0.001 0.000 0.212 356 L C 2.659 179.455 176.870 -0.124 0.000 1.073 356 L CA 1.927 56.773 54.840 0.010 0.000 0.753 356 L CB -0.997 41.253 42.059 0.318 0.000 0.890 356 L HN 0.261 nan 8.230 nan 0.000 0.432 357 E N 0.573 120.590 120.200 -0.305 0.000 2.110 357 E HA -0.276 4.074 4.350 0.001 0.000 0.193 357 E C 1.922 178.302 176.600 -0.367 0.000 0.988 357 E CA 1.160 57.336 56.400 -0.374 0.000 0.804 357 E CB -0.051 29.147 29.700 -0.836 0.000 0.745 357 E HN 0.446 nan 8.360 nan 0.000 0.458 358 E N -1.109 118.758 120.200 -0.555 0.000 2.333 358 E HA -0.173 4.177 4.350 0.001 0.000 0.200 358 E C 0.936 176.952 176.600 -0.975 0.000 1.010 358 E CA 0.864 56.784 56.400 -0.800 0.000 0.841 358 E CB -0.014 29.046 29.700 -1.068 0.000 0.757 358 E HN 0.320 nan 8.360 nan 0.000 0.508 359 F N -0.674 119.164 119.950 -0.186 0.000 2.784 359 F HA 0.200 4.728 4.527 0.001 0.000 0.323 359 F C 0.616 176.396 175.800 -0.034 0.000 1.085 359 F CA -0.677 57.254 58.000 -0.115 0.000 1.196 359 F CB 0.494 39.398 39.000 -0.159 0.000 1.053 359 F HN -0.220 nan 8.300 nan 0.000 0.578 360 E N 3.481 123.746 120.200 0.108 0.000 2.415 360 E HA 0.112 4.463 4.350 0.001 0.000 0.260 360 E C -2.314 174.361 176.600 0.125 0.000 1.016 360 E CA -1.906 54.583 56.400 0.149 0.000 0.924 360 E CB 0.377 30.172 29.700 0.158 0.000 0.961 360 E HN -0.051 nan 8.360 nan 0.000 0.459 361 P HA -0.049 nan 4.420 nan 0.000 0.271 361 P C 0.407 177.784 177.300 0.129 0.000 1.233 361 P CA 0.146 63.347 63.100 0.168 0.000 0.795 361 P CB 0.471 32.244 31.700 0.122 0.000 0.936 362 I N -1.393 119.249 120.570 0.119 0.000 3.783 362 I HA 0.065 4.235 4.170 0.001 0.000 0.310 362 I C 0.109 176.278 176.117 0.086 0.000 1.274 362 I CA 0.903 62.270 61.300 0.112 0.000 1.294 362 I CB 0.400 38.443 38.000 0.071 0.000 1.051 362 I HN 0.226 nan 8.210 nan 0.000 0.435 363 T N 1.291 115.759 114.554 -0.143 0.000 3.071 363 T HA 0.374 4.724 4.350 0.001 0.000 0.311 363 T C -1.082 173.210 174.700 -0.681 0.000 1.042 363 T CA -0.601 61.150 62.100 -0.581 0.000 1.028 363 T CB 1.079 69.726 68.868 -0.370 0.000 1.068 363 T HN 0.039 nan 8.240 nan 0.000 0.451 364 K N 2.628 122.451 120.400 -0.962 0.000 2.281 364 K HA 0.466 4.787 4.320 0.001 0.000 0.242 364 K C 1.104 177.454 176.600 -0.416 0.000 0.971 364 K CA -1.088 54.892 56.287 -0.512 0.000 0.834 364 K CB 2.052 34.422 32.500 -0.215 0.000 1.181 364 K HN 0.546 nan 8.250 nan 0.000 0.435 365 K N -0.125 120.113 120.400 -0.270 0.000 2.103 365 K HA -0.058 4.263 4.320 0.001 0.000 0.204 365 K C 1.152 177.684 176.600 -0.115 0.000 1.052 365 K CA 0.814 56.993 56.287 -0.180 0.000 0.945 365 K CB -0.192 32.219 32.500 -0.148 0.000 0.722 365 K HN 0.552 nan 8.250 nan 0.000 0.443 366 S N 0.964 116.601 115.700 -0.106 0.000 2.626 366 S HA 0.439 4.910 4.470 0.001 0.000 0.257 366 S C 0.124 174.703 174.600 -0.036 0.000 1.288 366 S CA -0.620 57.520 58.200 -0.100 0.000 0.980 366 S CB 0.913 64.028 63.200 -0.141 0.000 0.975 366 S HN 0.343 nan 8.310 nan 0.000 0.577 367 A N 0.275 123.006 122.820 -0.149 0.000 2.337 367 A HA 0.634 4.955 4.320 0.001 0.000 0.331 367 A C -0.344 177.175 177.584 -0.107 0.000 1.137 367 A CA -0.934 51.074 52.037 -0.049 0.000 0.807 367 A CB 0.625 19.610 19.000 -0.025 0.000 1.250 367 A HN 0.947 nan 8.150 nan 0.000 0.468 368 L N 2.440 123.718 121.223 0.092 0.000 2.433 368 L HA 0.298 4.639 4.340 0.001 0.000 0.275 368 L C -1.085 175.985 176.870 0.334 0.000 1.128 368 L CA 0.084 55.032 54.840 0.181 0.000 0.875 368 L CB -0.290 41.842 42.059 0.122 0.000 1.171 368 L HN 0.676 nan 8.230 nan 0.000 0.463 369 F N 4.955 125.072 119.950 0.279 0.000 2.410 369 F HA 0.277 4.804 4.527 0.001 0.000 0.349 369 F C 0.588 176.432 175.800 0.072 0.000 1.117 369 F CA -1.051 57.066 58.000 0.194 0.000 1.104 369 F CB 1.383 40.530 39.000 0.246 0.000 1.122 369 F HN 0.366 nan 8.300 nan 0.000 0.483 370 K N 6.477 126.964 120.400 0.145 0.000 2.257 370 K HA 0.242 4.563 4.320 0.001 0.000 0.270 370 K C 0.128 176.686 176.600 -0.070 0.000 1.098 370 K CA -0.088 56.160 56.287 -0.064 0.000 0.943 370 K CB 0.332 32.782 32.500 -0.082 0.000 1.316 370 K HN 0.779 nan 8.250 nan 0.000 0.447 371 I N 0.088 120.610 120.570 -0.080 0.000 4.147 371 I HA 0.208 4.378 4.170 0.001 0.000 0.329 371 I C -0.084 176.009 176.117 -0.041 0.000 1.424 371 I CA -0.491 60.790 61.300 -0.032 0.000 1.127 371 I CB 0.467 38.514 38.000 0.078 0.000 1.128 371 I HN 0.322 nan 8.210 nan 0.000 0.417 372 S N -0.933 114.700 115.700 -0.112 0.000 2.643 372 S HA 0.290 4.761 4.470 0.001 0.000 0.266 372 S C -0.222 174.292 174.600 -0.143 0.000 1.130 372 S CA -0.575 57.580 58.200 -0.075 0.000 0.817 372 S CB 1.170 64.385 63.200 0.025 0.000 1.107 372 S HN 0.067 nan 8.310 nan 0.000 0.471 373 N N 0.712 119.360 118.700 -0.086 0.000 2.120 373 N HA -0.012 4.729 4.740 0.001 0.000 0.188 373 N C 1.326 176.725 175.510 -0.185 0.000 1.024 373 N CA 1.900 54.881 53.050 -0.114 0.000 0.852 373 N CB -0.390 38.068 38.487 -0.049 0.000 1.003 373 N HN 0.680 nan 8.380 nan 0.000 0.424 374 E N -0.420 119.692 120.200 -0.147 0.000 2.160 374 E HA -0.141 4.210 4.350 0.001 0.000 0.195 374 E C 1.897 178.197 176.600 -0.501 0.000 0.991 374 E CA 1.236 57.484 56.400 -0.254 0.000 0.810 374 E CB -0.362 29.237 29.700 -0.168 0.000 0.742 374 E HN 0.460 nan 8.360 nan 0.000 0.466 375 S N 0.085 115.350 115.700 -0.725 0.000 2.474 375 S HA -0.056 4.415 4.470 0.001 0.000 0.235 375 S C 1.742 175.717 174.600 -1.043 0.000 0.997 375 S CA 0.462 57.668 58.200 -1.656 0.000 0.949 375 S CB -0.306 61.808 63.200 -1.810 0.000 0.766 375 S HN 0.232 nan 8.310 nan 0.000 0.517 376 L N -0.371 120.498 121.223 -0.590 0.000 2.551 376 L HA 0.205 4.545 4.340 0.001 0.000 0.228 376 L C 2.291 178.960 176.870 -0.335 0.000 1.153 376 L CA 0.612 55.200 54.840 -0.421 0.000 0.851 376 L CB -0.264 41.606 42.059 -0.316 0.000 0.959 376 L HN 0.218 nan 8.230 nan 0.000 0.451 377 R N -1.467 118.826 120.500 -0.345 0.000 2.468 377 R HA 0.073 4.413 4.340 0.001 0.000 0.280 377 R C -0.267 175.956 176.300 -0.128 0.000 0.963 377 R CA -0.402 55.560 56.100 -0.229 0.000 1.083 377 R CB 0.291 30.460 30.300 -0.218 0.000 1.200 377 R HN 0.074 nan 8.270 nan 0.000 0.541 378 W N 1.039 122.168 121.300 -0.285 0.000 2.137 378 W HA 0.114 4.775 4.660 0.001 0.000 0.344 378 W C -1.541 174.836 176.519 -0.237 0.000 1.286 378 W CA -2.444 54.652 57.345 -0.416 0.000 1.240 378 W CB -0.311 28.907 29.460 -0.404 0.000 1.141 378 W HN -0.031 nan 8.180 nan 0.000 0.579 379 P HA -0.245 nan 4.420 nan 0.000 0.213 379 P C 1.733 179.168 177.300 0.226 0.000 1.176 379 P CA 2.164 65.405 63.100 0.235 0.000 0.919 379 P CB 0.028 31.841 31.700 0.190 0.000 0.791 380 V N -0.753 119.261 119.914 0.166 0.000 2.428 380 V HA -0.244 3.877 4.120 0.001 0.000 0.255 380 V C 2.389 178.549 176.094 0.109 0.000 1.080 380 V CA 1.894 64.281 62.300 0.146 0.000 1.083 380 V CB -1.223 30.690 31.823 0.149 0.000 0.665 380 V HN -0.014 nan 8.190 nan 0.000 0.461 381 V N -0.717 119.265 119.914 0.114 0.000 2.273 381 V HA -0.140 3.981 4.120 0.001 0.000 0.242 381 V C 2.614 178.764 176.094 0.093 0.000 1.035 381 V CA 1.623 63.982 62.300 0.099 0.000 1.013 381 V CB -0.711 31.059 31.823 -0.088 0.000 0.652 381 V HN 0.391 nan 8.190 nan 0.000 0.452 382 R N 0.113 120.597 120.500 -0.026 0.000 2.113 382 R HA -0.238 4.103 4.340 0.001 0.000 0.244 382 R C 2.372 178.625 176.300 -0.079 0.000 1.142 382 R CA 2.144 58.127 56.100 -0.196 0.000 0.953 382 R CB -0.847 29.084 30.300 -0.615 0.000 0.860 382 R HN 0.488 nan 8.270 nan 0.000 0.438 383 R N 0.477 121.048 120.500 0.119 0.000 2.088 383 R HA -0.146 4.195 4.340 0.001 0.000 0.232 383 R C 2.234 178.606 176.300 0.120 0.000 1.136 383 R CA 1.903 58.122 56.100 0.199 0.000 0.926 383 R CB -0.437 29.990 30.300 0.211 0.000 0.837 383 R HN 0.232 nan 8.270 nan 0.000 0.429 384 A N 1.161 124.039 122.820 0.097 0.000 1.927 384 A HA -0.258 4.062 4.320 0.001 0.000 0.220 384 A C 2.163 179.823 177.584 0.128 0.000 1.185 384 A CA 1.990 54.070 52.037 0.071 0.000 0.639 384 A CB -0.575 18.206 19.000 -0.365 0.000 0.820 384 A HN 0.465 nan 8.150 nan 0.000 0.451 385 K N -0.758 119.727 120.400 0.142 0.000 2.026 385 K HA -0.186 4.135 4.320 0.001 0.000 0.208 385 K C 2.098 178.753 176.600 0.092 0.000 1.048 385 K CA 1.805 58.182 56.287 0.150 0.000 0.929 385 K CB -0.148 32.433 32.500 0.135 0.000 0.713 385 K HN 0.655 nan 8.250 nan 0.000 0.439 386 E N -0.107 120.134 120.200 0.069 0.000 2.028 386 E HA -0.141 4.210 4.350 0.001 0.000 0.191 386 E C 2.056 178.704 176.600 0.080 0.000 0.988 386 E CA 1.134 57.569 56.400 0.059 0.000 0.799 386 E CB 0.095 29.827 29.700 0.054 0.000 0.755 386 E HN 0.180 nan 8.360 nan 0.000 0.447 387 R N 0.088 120.651 120.500 0.106 0.000 2.127 387 R HA -0.138 4.203 4.340 0.001 0.000 0.238 387 R C 2.193 178.602 176.300 0.181 0.000 1.134 387 R CA 1.119 57.287 56.100 0.114 0.000 0.975 387 R CB -0.253 30.070 30.300 0.039 0.000 0.865 387 R HN 0.129 nan 8.270 nan 0.000 0.447 388 A N 1.092 124.025 122.820 0.189 0.000 2.016 388 A HA -0.108 4.213 4.320 0.001 0.000 0.217 388 A C 1.987 179.576 177.584 0.008 0.000 1.162 388 A CA 0.795 52.871 52.037 0.064 0.000 0.662 388 A CB -0.222 18.751 19.000 -0.045 0.000 0.812 388 A HN 0.176 nan 8.150 nan 0.000 0.450 389 K N 0.722 121.142 120.400 0.033 0.000 2.107 389 K HA -0.259 4.062 4.320 0.001 0.000 0.211 389 K C 2.253 178.870 176.600 0.028 0.000 1.049 389 K CA 2.193 58.494 56.287 0.024 0.000 0.927 389 K CB -0.180 32.339 32.500 0.032 0.000 0.714 389 K HN 0.667 nan 8.250 nan 0.000 0.452 390 S N -0.072 115.653 115.700 0.040 0.000 2.387 390 S HA -0.116 4.354 4.470 0.001 0.000 0.226 390 S C 1.877 176.515 174.600 0.065 0.000 1.026 390 S CA 0.972 59.204 58.200 0.054 0.000 0.972 390 S CB -0.296 62.941 63.200 0.060 0.000 0.814 390 S HN 0.169 nan 8.310 nan 0.000 0.477 391 I N 3.494 124.074 120.570 0.017 0.000 2.286 391 I HA -0.073 4.097 4.170 0.001 0.000 0.245 391 I C 2.225 178.358 176.117 0.027 0.000 1.104 391 I CA 0.821 62.092 61.300 -0.048 0.000 1.397 391 I CB -0.785 37.068 38.000 -0.245 0.000 1.072 391 I HN 0.241 nan 8.210 nan 0.000 0.417 392 N N 0.391 119.085 118.700 -0.010 0.000 2.058 392 N HA -0.216 4.524 4.740 0.001 0.000 0.191 392 N C 1.911 177.463 175.510 0.071 0.000 1.037 392 N CA 1.089 54.148 53.050 0.015 0.000 0.848 392 N CB -0.439 38.033 38.487 -0.025 0.000 1.021 392 N HN 0.276 nan 8.380 nan 0.000 0.422 393 E N 0.979 121.215 120.200 0.060 0.000 2.273 393 E HA -0.138 4.212 4.350 0.001 0.000 0.198 393 E C 1.865 178.514 176.600 0.081 0.000 1.002 393 E CA 1.038 57.474 56.400 0.061 0.000 0.828 393 E CB 0.140 29.869 29.700 0.050 0.000 0.747 393 E HN 0.258 nan 8.360 nan 0.000 0.491 394 R N -1.552 119.035 120.500 0.145 0.000 2.040 394 R HA 0.044 4.384 4.340 0.001 0.000 0.209 394 R C 1.909 178.278 176.300 0.115 0.000 1.281 394 R CA 0.662 56.839 56.100 0.129 0.000 1.064 394 R CB -0.497 29.917 30.300 0.190 0.000 0.950 394 R HN 0.181 nan 8.270 nan 0.000 0.462 395 F N 1.403 121.330 119.950 -0.038 0.000 2.269 395 F HA 0.099 4.626 4.527 0.002 0.000 0.301 395 F C 1.828 177.685 175.800 0.095 0.000 1.082 395 F CA 1.172 59.149 58.000 -0.038 0.000 1.360 395 F CB -0.901 38.027 39.000 -0.119 0.000 1.041 395 F HN 0.482 nan 8.300 nan 0.000 0.512 396 G N 0.099 109.044 108.800 0.241 0.000 2.582 396 G HA2 -0.366 3.594 3.960 0.001 0.000 0.288 396 G HA3 -0.366 3.594 3.960 0.001 0.000 0.288 396 G C 0.315 175.303 174.900 0.147 0.000 1.247 396 G CA 0.182 45.370 45.100 0.146 0.000 0.972 396 G HN 0.274 nan 8.290 nan 0.000 0.557 397 E N -1.260 118.987 120.200 0.079 0.000 2.416 397 E HA -0.180 4.171 4.350 0.001 0.000 0.249 397 E C 0.890 177.440 176.600 -0.083 0.000 1.124 397 E CA 1.158 57.544 56.400 -0.024 0.000 0.732 397 E CB -1.736 27.878 29.700 -0.142 0.000 1.286 397 E HN 0.689 nan 8.360 nan 0.000 0.394 398 L N -0.197 121.005 121.223 -0.035 0.000 2.483 398 L HA 0.272 4.612 4.340 0.001 0.000 0.275 398 L C 0.944 177.800 176.870 -0.023 0.000 1.220 398 L CA 0.255 55.070 54.840 -0.041 0.000 0.833 398 L CB 0.533 42.583 42.059 -0.016 0.000 1.102 398 L HN 0.054 nan 8.230 nan 0.000 0.490 399 V N 1.941 121.857 119.914 0.004 0.000 3.049 399 V HA 0.284 4.405 4.120 0.001 0.000 0.309 399 V C -0.631 175.529 176.094 0.110 0.000 1.148 399 V CA -0.636 61.706 62.300 0.070 0.000 0.990 399 V CB 2.431 34.330 31.823 0.127 0.000 1.039 399 V HN 0.797 nan 8.190 nan 0.000 0.430 400 E N 4.833 125.111 120.200 0.129 0.000 2.257 400 E HA 0.251 4.601 4.350 0.001 0.000 0.278 400 E C -1.014 175.684 176.600 0.164 0.000 1.049 400 E CA -0.110 56.363 56.400 0.121 0.000 0.876 400 E CB 0.405 30.157 29.700 0.087 0.000 1.035 400 E HN 0.602 nan 8.360 nan 0.000 0.419 401 H N 4.427 123.480 119.070 -0.028 0.000 2.495 401 H HA 0.189 4.745 4.556 0.001 0.000 0.348 401 H C -2.055 173.218 175.328 -0.091 0.000 1.113 401 H CA -2.540 53.381 56.048 -0.211 0.000 1.195 401 H CB 1.877 31.442 29.762 -0.329 0.000 1.521 401 H HN 0.249 nan 8.280 nan 0.000 0.509 402 P HA -0.124 nan 4.420 nan 0.000 0.216 402 P C 1.230 178.543 177.300 0.022 0.000 1.150 402 P CA 1.505 64.593 63.100 -0.020 0.000 0.843 402 P CB 0.464 32.110 31.700 -0.090 0.000 0.787 403 I N -3.831 116.818 120.570 0.131 0.000 2.927 403 I HA -0.003 4.167 4.170 0.001 0.000 0.268 403 I C 1.302 177.119 176.117 -0.501 0.000 1.153 403 I CA 0.765 61.880 61.300 -0.308 0.000 1.459 403 I CB -0.196 37.429 38.000 -0.625 0.000 1.149 403 I HN -0.189 nan 8.210 nan 0.000 0.443 404 F N 0.777 120.681 119.950 -0.076 0.000 2.727 404 F HA 0.407 4.935 4.527 0.001 0.000 0.302 404 F C 1.879 177.648 175.800 -0.053 0.000 1.097 404 F CA 0.450 58.386 58.000 -0.107 0.000 1.330 404 F CB -0.115 38.795 39.000 -0.151 0.000 1.084 404 F HN 0.160 nan 8.300 nan 0.000 0.578 405 G N 1.151 110.027 108.800 0.127 0.000 5.155 405 G HA2 -0.307 3.654 3.960 0.001 0.000 0.239 405 G HA3 -0.307 3.654 3.960 0.001 0.000 0.239 405 G C 0.369 175.320 174.900 0.086 0.000 1.409 405 G CA 0.247 45.396 45.100 0.081 0.000 0.927 405 G HN 0.362 nan 8.290 nan 0.000 0.710 406 R N 0.137 120.676 120.500 0.065 0.000 2.599 406 R HA 0.829 5.170 4.340 0.001 0.000 0.295 406 R C -1.382 174.897 176.300 -0.035 0.000 0.963 406 R CA -0.515 55.599 56.100 0.024 0.000 0.883 406 R CB 1.998 32.304 30.300 0.010 0.000 1.171 406 R HN 1.259 nan 8.270 nan 0.000 0.450 407 V N 1.072 120.928 119.914 -0.096 0.000 2.852 407 V HA 0.246 4.367 4.120 0.001 0.000 0.300 407 V C -0.502 175.435 176.094 -0.261 0.000 1.205 407 V CA -0.526 61.611 62.300 -0.273 0.000 0.940 407 V CB 2.283 33.808 31.823 -0.497 0.000 1.047 407 V HN 1.015 nan 8.190 nan 0.000 0.429 408 S N 5.644 121.171 115.700 -0.289 0.000 2.575 408 S HA 0.059 4.530 4.470 0.001 0.000 0.295 408 S C 1.602 175.993 174.600 -0.348 0.000 1.267 408 S CA 0.707 58.770 58.200 -0.228 0.000 1.074 408 S CB 0.265 63.388 63.200 -0.128 0.000 0.829 408 S HN 1.030 nan 8.310 nan 0.000 0.497 409 R N 3.984 124.246 120.500 -0.396 0.000 2.276 409 R HA -0.191 4.150 4.340 0.001 0.000 0.243 409 R C 0.910 176.796 176.300 -0.691 0.000 1.161 409 R CA 2.153 57.983 56.100 -0.450 0.000 1.007 409 R CB -0.724 29.288 30.300 -0.481 0.000 0.867 409 R HN 0.800 nan 8.270 nan 0.000 0.472 410 Y N 0.758 120.696 120.300 -0.605 0.000 2.457 410 Y HA 0.064 4.615 4.550 0.001 0.000 0.292 410 Y C 1.977 177.514 175.900 -0.605 0.000 1.125 410 Y CA 0.531 58.011 58.100 -1.033 0.000 1.254 410 Y CB 0.130 38.107 38.460 -0.806 0.000 1.012 410 Y HN -0.022 nan 8.280 nan 0.000 0.555 411 L N -0.693 120.265 121.223 -0.442 0.000 2.477 411 L HA -0.056 4.285 4.340 0.001 0.000 0.220 411 L C 2.417 179.101 176.870 -0.310 0.000 1.106 411 L CA 0.664 55.192 54.840 -0.520 0.000 0.851 411 L CB -0.430 40.984 42.059 -1.074 0.000 0.994 411 L HN 0.226 nan 8.230 nan 0.000 0.462 412 S N 0.619 116.208 115.700 -0.187 0.000 2.444 412 S HA -0.204 4.267 4.470 0.001 0.000 0.244 412 S C 1.619 176.374 174.600 0.258 0.000 1.025 412 S CA 1.248 59.538 58.200 0.150 0.000 0.995 412 S CB -0.512 62.814 63.200 0.209 0.000 0.781 412 S HN 0.511 nan 8.310 nan 0.000 0.496 413 L N 0.499 121.838 121.223 0.193 0.000 2.585 413 L HA 0.256 4.596 4.340 0.001 0.000 0.226 413 L C 0.370 177.346 176.870 0.177 0.000 1.113 413 L CA 0.018 54.972 54.840 0.190 0.000 0.876 413 L CB -0.085 42.083 42.059 0.181 0.000 1.072 413 L HN 0.195 nan 8.230 nan 0.000 0.468 414 T N -1.086 113.568 114.554 0.167 0.000 2.859 414 T HA 0.249 4.599 4.350 0.001 0.000 0.281 414 T C -0.727 174.120 174.700 0.246 0.000 1.005 414 T CA -0.346 61.859 62.100 0.175 0.000 1.025 414 T CB 1.482 70.390 68.868 0.066 0.000 0.977 414 T HN -0.067 nan 8.240 nan 0.000 0.458 415 Y N 5.459 125.812 120.300 0.089 0.000 2.702 415 Y HA 0.210 4.760 4.550 0.001 0.000 0.336 415 Y C -1.695 174.135 175.900 -0.117 0.000 1.235 415 Y CA -1.261 56.852 58.100 0.021 0.000 1.492 415 Y CB 0.829 39.305 38.460 0.028 0.000 1.308 415 Y HN 0.348 nan 8.280 nan 0.000 0.589 416 P HA 0.126 nan 4.420 nan 0.000 0.250 416 P C -0.211 176.743 177.300 -0.578 0.000 1.808 416 P CA 0.203 62.597 63.100 -1.177 0.000 1.117 416 P CB -0.349 30.461 31.700 -1.484 0.000 1.602 417 F N 0.889 120.705 119.950 -0.223 0.000 2.164 417 F HA 0.136 4.664 4.527 0.001 0.000 0.287 417 F C 2.747 178.718 175.800 0.285 0.000 1.086 417 F CA 0.994 58.907 58.000 -0.146 0.000 1.249 417 F CB -1.342 37.432 39.000 -0.377 0.000 1.059 417 F HN -0.037 nan 8.300 nan 0.000 0.490 418 A N -0.114 122.998 122.820 0.487 0.000 1.883 418 A HA -0.205 4.115 4.320 0.001 0.000 0.217 418 A C 1.231 179.055 177.584 0.399 0.000 1.186 418 A CA 1.354 53.692 52.037 0.502 0.000 0.624 418 A CB -1.007 18.189 19.000 0.328 0.000 0.822 418 A HN 0.433 nan 8.150 nan 0.000 0.444 419 Q N 0.819 120.798 119.800 0.298 0.000 3.207 419 Q HA 0.521 4.862 4.340 0.001 0.000 0.335 419 Q C -0.505 175.639 176.000 0.239 0.000 1.374 419 Q CA 0.074 56.028 55.803 0.252 0.000 1.023 419 Q CB 0.487 29.372 28.738 0.245 0.000 1.576 419 Q HN 0.366 nan 8.270 nan 0.000 0.515 420 S N 0.625 116.499 115.700 0.290 0.000 2.709 420 S HA 0.699 5.169 4.470 0.001 0.000 0.302 420 S C -1.034 173.729 174.600 0.273 0.000 1.127 420 S CA -0.874 57.494 58.200 0.280 0.000 0.905 420 S CB 2.058 65.462 63.200 0.340 0.000 1.151 420 S HN 0.474 nan 8.310 nan 0.000 0.510 421 E N -0.300 120.062 120.200 0.269 0.000 2.506 421 E HA 0.575 4.926 4.350 0.001 0.000 0.308 421 E C -1.126 175.542 176.600 0.114 0.000 0.931 421 E CA -0.434 56.087 56.400 0.201 0.000 0.800 421 E CB 1.025 30.883 29.700 0.263 0.000 1.292 421 E HN 0.705 nan 8.360 nan 0.000 0.401 422 A N 3.291 126.132 122.820 0.036 0.000 3.042 422 A HA 0.495 4.815 4.320 0.001 0.000 0.229 422 A C 0.401 177.964 177.584 -0.036 0.000 1.185 422 A CA -0.307 51.720 52.037 -0.017 0.000 0.844 422 A CB 0.330 19.311 19.000 -0.031 0.000 1.403 422 A HN 0.636 nan 8.150 nan 0.000 0.555 423 E N 0.957 121.130 120.200 -0.044 0.000 2.273 423 E HA -0.077 4.273 4.350 0.001 0.000 0.198 423 E C -0.348 176.236 176.600 -0.027 0.000 1.002 423 E CA 1.651 58.026 56.400 -0.042 0.000 0.828 423 E CB -0.054 29.623 29.700 -0.039 0.000 0.747 423 E HN 0.533 nan 8.360 nan 0.000 0.491 424 D N -0.407 119.984 120.400 -0.015 0.000 2.523 424 D HA 0.198 4.838 4.640 0.001 0.000 0.236 424 D C -0.586 175.726 176.300 0.019 0.000 1.094 424 D CA -0.625 53.375 54.000 -0.000 0.000 0.942 424 D CB 1.466 42.267 40.800 0.002 0.000 1.447 424 D HN -0.164 nan 8.370 nan 0.000 0.479 425 D N 0.096 120.513 120.400 0.030 0.000 2.348 425 D HA 0.273 4.913 4.640 0.001 0.000 0.249 425 D C -0.770 175.588 176.300 0.096 0.000 1.110 425 D CA -0.002 54.032 54.000 0.057 0.000 0.967 425 D CB 1.321 42.141 40.800 0.034 0.000 1.139 425 D HN 0.147 nan 8.370 nan 0.000 0.466 426 F N 1.421 121.325 119.950 -0.076 0.000 2.445 426 F HA 0.266 4.793 4.527 0.001 0.000 0.348 426 F C -0.191 175.578 175.800 -0.052 0.000 1.125 426 F CA -0.951 56.977 58.000 -0.120 0.000 0.983 426 F CB 0.704 39.539 39.000 -0.274 0.000 1.198 426 F HN -0.036 nan 8.300 nan 0.000 0.436 427 K N 6.623 126.727 120.400 -0.493 0.000 2.368 427 K HA 0.275 4.595 4.320 0.001 0.000 0.282 427 K C -0.674 175.412 176.600 -0.857 0.000 1.035 427 K CA -0.251 55.743 56.287 -0.488 0.000 0.973 427 K CB 0.797 33.135 32.500 -0.270 0.000 0.957 427 K HN 0.488 nan 8.250 nan 0.000 0.474 428 I N 3.326 123.576 120.570 -0.533 0.000 2.396 428 I HA -0.008 4.162 4.170 0.001 0.000 0.289 428 I C 0.163 176.138 176.117 -0.236 0.000 1.056 428 I CA 0.009 61.065 61.300 -0.407 0.000 1.365 428 I CB 0.563 38.465 38.000 -0.164 0.000 1.407 428 I HN 0.367 nan 8.210 nan 0.000 0.509 429 E N 6.585 126.680 120.200 -0.175 0.000 2.003 429 E HA 0.215 4.565 4.350 0.001 0.000 0.279 429 E C -0.268 176.338 176.600 0.010 0.000 1.132 429 E CA -0.177 56.184 56.400 -0.066 0.000 0.888 429 E CB 0.214 29.892 29.700 -0.036 0.000 1.056 429 E HN 0.312 nan 8.360 nan 0.000 0.399 430 K N 3.596 123.974 120.400 -0.036 0.000 2.180 430 K HA 0.276 4.597 4.320 0.001 0.000 0.251 430 K C -2.129 174.413 176.600 -0.097 0.000 1.014 430 K CA -1.451 54.789 56.287 -0.079 0.000 0.913 430 K CB 0.193 32.645 32.500 -0.080 0.000 1.008 430 K HN 0.280 nan 8.250 nan 0.000 0.490 431 P HA 0.125 nan 4.420 nan 0.000 0.285 431 P C -0.136 177.101 177.300 -0.104 0.000 1.269 431 P CA -0.622 62.301 63.100 -0.295 0.000 0.844 431 P CB 1.255 32.447 31.700 -0.847 0.000 1.094 432 T N -1.010 113.546 114.554 0.002 0.000 4.160 432 T HA 0.185 4.535 4.350 0.001 0.000 0.200 432 T C 0.829 175.530 174.700 0.002 0.000 0.730 432 T CA 0.741 62.849 62.100 0.014 0.000 2.369 432 T CB -0.254 68.647 68.868 0.054 0.000 2.049 432 T HN 0.320 nan 8.240 nan 0.000 0.309 433 K N -0.313 120.105 120.400 0.030 0.000 2.589 433 K HA 0.241 4.561 4.320 0.001 0.000 0.218 433 K C 1.880 178.510 176.600 0.051 0.000 1.468 433 K CA 0.034 56.337 56.287 0.026 0.000 1.002 433 K CB 0.811 33.321 32.500 0.018 0.000 1.200 433 K HN 0.327 nan 8.250 nan 0.000 0.614 434 E N 1.252 121.495 120.200 0.073 0.000 2.127 434 E HA -0.034 4.317 4.350 0.001 0.000 0.191 434 E C 1.142 177.822 176.600 0.133 0.000 0.964 434 E CA 0.800 57.250 56.400 0.084 0.000 0.832 434 E CB 0.053 29.800 29.700 0.077 0.000 0.790 434 E HN 0.093 nan 8.360 nan 0.000 0.465 435 D N 1.250 121.771 120.400 0.202 0.000 2.123 435 D HA -0.204 4.437 4.640 0.001 0.000 0.196 435 D C 1.869 178.388 176.300 0.365 0.000 0.992 435 D CA 1.417 55.651 54.000 0.390 0.000 0.833 435 D CB -0.288 40.857 40.800 0.575 0.000 0.954 435 D HN 0.161 nan 8.370 nan 0.000 0.455 436 A N 1.397 124.322 122.820 0.176 0.000 1.886 436 A HA -0.326 3.995 4.320 0.001 0.000 0.240 436 A C 2.232 179.913 177.584 0.163 0.000 1.875 436 A CA 2.447 54.541 52.037 0.095 0.000 0.760 436 A CB -1.189 17.841 19.000 0.050 0.000 0.849 436 A HN 0.306 nan 8.150 nan 0.000 0.505 437 I N -0.412 120.246 120.570 0.147 0.000 2.202 437 I HA -0.154 4.016 4.170 0.001 0.000 0.242 437 I C 2.183 178.397 176.117 0.162 0.000 1.091 437 I CA 2.079 63.461 61.300 0.137 0.000 1.368 437 I CB -0.409 37.654 38.000 0.106 0.000 1.058 437 I HN 0.369 nan 8.210 nan 0.000 0.410 438 K N -0.841 119.642 120.400 0.139 0.000 2.362 438 K HA -0.228 4.093 4.320 0.001 0.000 0.202 438 K C 1.904 178.533 176.600 0.048 0.000 1.045 438 K CA 1.497 57.802 56.287 0.030 0.000 0.936 438 K CB -0.279 32.052 32.500 -0.283 0.000 0.747 438 K HN 0.368 nan 8.250 nan 0.000 0.467 439 Y N -0.314 120.041 120.300 0.093 0.000 2.269 439 Y HA -0.132 4.419 4.550 0.001 0.000 0.294 439 Y C 2.211 178.107 175.900 -0.007 0.000 1.120 439 Y CA 0.558 58.731 58.100 0.123 0.000 1.159 439 Y CB -0.176 38.374 38.460 0.150 0.000 1.024 439 Y HN -0.236 nan 8.280 nan 0.000 0.532 440 V N -0.144 119.863 119.914 0.155 0.000 2.407 440 V HA -0.345 3.776 4.120 0.001 0.000 0.248 440 V C 2.172 178.238 176.094 -0.047 0.000 1.055 440 V CA 1.861 64.152 62.300 -0.016 0.000 1.049 440 V CB -0.595 31.197 31.823 -0.050 0.000 0.662 440 V HN 0.422 nan 8.190 nan 0.000 0.455 441 M N -0.325 119.326 119.600 0.085 0.000 2.099 441 M HA -0.118 4.363 4.480 0.001 0.000 0.262 441 M C 2.426 178.738 176.300 0.021 0.000 1.067 441 M CA 2.112 57.524 55.300 0.186 0.000 1.124 441 M CB -0.545 32.280 32.600 0.375 0.000 1.353 441 M HN 0.384 nan 8.290 nan 0.000 0.410 442 A N 0.659 123.282 122.820 -0.328 0.000 1.883 442 A HA -0.169 4.152 4.320 0.001 0.000 0.217 442 A C 2.056 179.425 177.584 -0.358 0.000 1.186 442 A CA 1.602 53.110 52.037 -0.881 0.000 0.624 442 A CB -1.007 17.351 19.000 -1.070 0.000 0.822 442 A HN 0.461 nan 8.150 nan 0.000 0.444 443 I N -0.312 120.134 120.570 -0.206 0.000 2.127 443 I HA -0.315 3.856 4.170 0.001 0.000 0.241 443 I C 3.025 179.070 176.117 -0.120 0.000 1.075 443 I CA 1.167 62.402 61.300 -0.108 0.000 1.334 443 I CB -0.444 37.497 38.000 -0.098 0.000 1.040 443 I HN 0.376 nan 8.210 nan 0.000 0.405 444 A N 0.312 123.046 122.820 -0.144 0.000 1.908 444 A HA -0.294 4.027 4.320 0.001 0.000 0.218 444 A C 2.206 179.826 177.584 0.060 0.000 1.181 444 A CA 2.214 54.219 52.037 -0.053 0.000 0.627 444 A CB -0.652 18.448 19.000 0.168 0.000 0.818 444 A HN 0.428 nan 8.150 nan 0.000 0.445 445 E N -1.868 118.369 120.200 0.061 0.000 2.204 445 E HA -0.168 4.182 4.350 0.001 0.000 0.194 445 E C 1.622 178.251 176.600 0.049 0.000 0.989 445 E CA 1.355 57.804 56.400 0.081 0.000 0.824 445 E CB -0.316 29.418 29.700 0.056 0.000 0.756 445 E HN 0.757 nan 8.360 nan 0.000 0.477 446 Y N 0.276 120.498 120.300 -0.131 0.000 2.230 446 Y HA 0.007 4.557 4.550 0.001 0.000 0.294 446 Y C 2.282 178.110 175.900 -0.119 0.000 1.120 446 Y CA 1.834 59.864 58.100 -0.117 0.000 1.129 446 Y CB -0.328 38.049 38.460 -0.139 0.000 1.040 446 Y HN 0.012 nan 8.280 nan 0.000 0.519 447 Q N -0.603 119.033 119.800 -0.274 0.000 2.049 447 Q HA -0.131 4.209 4.340 0.001 0.000 0.198 447 Q C 1.579 177.353 176.000 -0.375 0.000 0.971 447 Q CA 2.028 57.543 55.803 -0.480 0.000 0.833 447 Q CB -0.320 28.018 28.738 -0.666 0.000 0.896 447 Q HN 0.598 nan 8.270 nan 0.000 0.434 448 F N -0.275 119.674 119.950 -0.003 0.000 2.746 448 F HA 0.325 4.853 4.527 0.001 0.000 0.297 448 F C 1.173 176.973 175.800 -0.000 0.000 1.113 448 F CA -0.074 57.935 58.000 0.016 0.000 1.367 448 F CB 0.816 39.866 39.000 0.083 0.000 1.111 448 F HN 0.279 nan 8.300 nan 0.000 0.590 449 G N 1.127 109.992 108.800 0.108 0.000 2.710 449 G HA2 -0.224 3.737 3.960 0.001 0.000 0.668 449 G HA3 -0.224 3.737 3.960 0.001 0.000 0.668 449 G C -0.632 174.329 174.900 0.102 0.000 1.320 449 G CA -0.898 44.243 45.100 0.068 0.000 0.860 449 G HN 0.237 nan 8.290 nan 0.000 0.538 450 E N 0.294 120.540 120.200 0.076 0.000 3.225 450 E HA 0.279 4.629 4.350 0.001 0.000 0.289 450 E C 1.862 178.525 176.600 0.103 0.000 0.885 450 E CA 2.541 58.991 56.400 0.083 0.000 0.986 450 E CB -0.421 29.317 29.700 0.063 0.000 0.971 450 E HN 2.541 nan 8.360 nan 0.000 0.508 451 G N 3.167 112.033 108.800 0.110 0.000 2.262 451 G HA2 -0.411 3.550 3.960 0.001 0.000 0.269 451 G HA3 -0.411 3.550 3.960 0.001 0.000 0.269 451 G C 1.259 176.249 174.900 0.149 0.000 0.984 451 G CA 1.346 46.515 45.100 0.116 0.000 0.649 451 G HN 1.256 nan 8.290 nan 0.000 0.548 452 A N 0.643 123.576 122.820 0.188 0.000 2.042 452 A HA 0.039 4.360 4.320 0.001 0.000 0.222 452 A C 2.693 180.487 177.584 0.350 0.000 1.167 452 A CA 2.793 54.991 52.037 0.269 0.000 0.649 452 A CB -0.807 18.432 19.000 0.399 0.000 0.809 452 A HN 1.739 nan 8.150 nan 0.000 0.457 453 S N -0.053 115.832 115.700 0.309 0.000 2.399 453 S HA -0.198 4.272 4.470 0.001 0.000 0.231 453 S C 1.814 176.591 174.600 0.294 0.000 1.022 453 S CA 1.118 59.528 58.200 0.350 0.000 0.983 453 S CB -0.529 62.849 63.200 0.296 0.000 0.803 453 S HN 0.660 nan 8.310 nan 0.000 0.480 454 R N 1.226 121.837 120.500 0.184 0.000 2.303 454 R HA 0.094 4.435 4.340 0.001 0.000 0.225 454 R C 2.164 178.494 176.300 0.049 0.000 1.114 454 R CA 0.953 57.116 56.100 0.105 0.000 1.007 454 R CB -0.546 29.795 30.300 0.069 0.000 0.861 454 R HN 0.625 nan 8.270 nan 0.000 0.471 455 A N -0.229 122.606 122.820 0.024 0.000 2.218 455 A HA 0.063 4.383 4.320 0.001 0.000 0.209 455 A C 0.489 177.767 177.584 -0.510 0.000 1.168 455 A CA 0.376 52.255 52.037 -0.264 0.000 0.804 455 A CB 0.208 18.969 19.000 -0.399 0.000 0.834 455 A HN 0.203 nan 8.150 nan 0.000 0.482 456 F N -0.311 119.693 119.950 0.090 0.000 2.749 456 F HA 0.243 4.770 4.527 0.001 0.000 0.380 456 F C 0.490 176.335 175.800 0.076 0.000 1.365 456 F CA -0.843 57.211 58.000 0.090 0.000 1.186 456 F CB 0.600 39.673 39.000 0.121 0.000 1.080 456 F HN 0.056 nan 8.300 nan 0.000 0.513 457 D N 0.548 121.044 120.400 0.160 0.000 2.165 457 D HA -0.096 4.544 4.640 0.001 0.000 0.213 457 D C 1.006 177.363 176.300 0.094 0.000 0.983 457 D CA 1.353 55.421 54.000 0.112 0.000 0.881 457 D CB -0.347 40.491 40.800 0.063 0.000 1.028 457 D HN 0.369 nan 8.370 nan 0.000 0.457 458 D N 0.857 121.296 120.400 0.064 0.000 2.813 458 D HA 0.272 4.912 4.640 0.001 0.000 0.248 458 D C -0.256 176.086 176.300 0.070 0.000 1.254 458 D CA -0.150 53.881 54.000 0.052 0.000 0.921 458 D CB -0.286 40.530 40.800 0.028 0.000 1.118 458 D HN 0.079 nan 8.370 nan 0.000 0.450 459 A N 0.356 123.242 122.820 0.109 0.000 2.354 459 A HA 0.679 5.000 4.320 0.001 0.000 0.321 459 A C -0.294 177.356 177.584 0.110 0.000 1.125 459 A CA -1.028 51.088 52.037 0.133 0.000 0.799 459 A CB 1.476 20.619 19.000 0.237 0.000 1.293 459 A HN 0.135 nan 8.150 nan 0.000 0.452 460 K N 0.710 121.169 120.400 0.099 0.000 2.376 460 K HA 0.554 4.874 4.320 0.001 0.000 0.257 460 K C -1.558 175.087 176.600 0.075 0.000 0.939 460 K CA -0.573 55.760 56.287 0.076 0.000 0.809 460 K CB 2.262 34.796 32.500 0.057 0.000 1.121 460 K HN 0.399 nan 8.250 nan 0.000 0.425 461 V N 3.732 123.685 119.914 0.063 0.000 2.350 461 V HA 0.123 4.243 4.120 0.001 0.000 0.276 461 V C 0.038 176.149 176.094 0.028 0.000 1.028 461 V CA -0.799 61.530 62.300 0.048 0.000 0.860 461 V CB 1.004 32.854 31.823 0.044 0.000 0.990 461 V HN 0.766 nan 8.190 nan 0.000 0.453 462 E N 6.014 126.229 120.200 0.025 0.000 2.283 462 E HA 0.593 4.944 4.350 0.001 0.000 0.278 462 E C -1.192 175.408 176.600 -0.000 0.000 1.027 462 E CA -0.725 55.683 56.400 0.014 0.000 0.843 462 E CB 1.498 31.209 29.700 0.019 0.000 1.062 462 E HN 0.546 nan 8.360 nan 0.000 0.401 463 L N 3.053 124.270 121.223 -0.009 0.000 2.282 463 L HA 0.244 4.585 4.340 0.001 0.000 0.288 463 L C 0.755 177.616 176.870 -0.015 0.000 1.033 463 L CA -0.744 54.082 54.840 -0.023 0.000 0.807 463 L CB 1.398 43.436 42.059 -0.034 0.000 1.209 463 L HN 0.747 nan 8.230 nan 0.000 0.423 464 S N 3.026 118.717 115.700 -0.015 0.000 2.602 464 S HA 0.192 4.663 4.470 0.001 0.000 0.257 464 S C 1.182 175.775 174.600 -0.012 0.000 1.250 464 S CA -0.382 57.813 58.200 -0.009 0.000 0.986 464 S CB 0.559 63.756 63.200 -0.006 0.000 1.040 464 S HN 0.718 nan 8.310 nan 0.000 0.562 465 K N 0.485 120.880 120.400 -0.008 0.000 1.980 465 K HA -0.132 4.189 4.320 0.001 0.000 0.223 465 K C 1.083 177.675 176.600 -0.014 0.000 1.052 465 K CA 1.655 57.936 56.287 -0.009 0.000 0.974 465 K CB -2.215 30.281 32.500 -0.006 0.000 0.734 465 K HN 0.818 nan 8.250 nan 0.000 0.447 466 T N -0.493 114.051 114.554 -0.016 0.000 2.940 466 T HA 0.183 4.534 4.350 0.001 0.000 0.309 466 T C 1.087 175.768 174.700 -0.032 0.000 1.056 466 T CA -0.294 61.792 62.100 -0.022 0.000 1.137 466 T CB 1.185 70.041 68.868 -0.019 0.000 0.976 466 T HN 0.391 nan 8.240 nan 0.000 0.547 467 G N 3.956 112.732 108.800 -0.041 0.000 3.318 467 G HA2 0.172 4.133 3.960 0.001 0.000 0.212 467 G HA3 0.172 4.133 3.960 0.001 0.000 0.212 467 G C 0.330 175.179 174.900 -0.084 0.000 1.227 467 G CA -0.317 44.749 45.100 -0.057 0.000 1.438 467 G HN 0.642 nan 8.290 nan 0.000 0.525 468 M N 0.225 119.785 119.600 -0.067 0.000 2.264 468 M HA 0.318 4.798 4.480 0.001 0.000 0.352 468 M C -2.656 173.602 176.300 -0.070 0.000 1.173 468 M CA -3.147 52.107 55.300 -0.076 0.000 1.075 468 M CB 1.590 34.165 32.600 -0.041 0.000 1.621 468 M HN -0.194 nan 8.290 nan 0.000 0.457 469 P HA 0.303 nan 4.420 nan 0.000 0.282 469 P C 0.191 177.478 177.300 -0.022 0.000 1.262 469 P CA -0.158 62.906 63.100 -0.059 0.000 0.773 469 P CB 1.136 32.788 31.700 -0.080 0.000 0.879 470 R N 1.974 122.470 120.500 -0.006 0.000 2.107 470 R HA 0.190 4.531 4.340 0.001 0.000 0.195 470 R C 0.551 176.863 176.300 0.021 0.000 1.214 470 R CA 0.544 56.649 56.100 0.008 0.000 1.129 470 R CB -0.094 30.211 30.300 0.009 0.000 1.045 470 R HN 0.491 nan 8.270 nan 0.000 0.489 471 Q N 1.014 120.830 119.800 0.027 0.000 2.309 471 Q HA 0.456 4.797 4.340 0.001 0.000 0.264 471 Q C -1.387 174.646 176.000 0.056 0.000 1.008 471 Q CA -0.487 55.343 55.803 0.044 0.000 0.853 471 Q CB 2.307 31.071 28.738 0.043 0.000 1.314 471 Q HN -0.114 nan 8.270 nan 0.000 0.448 472 V N 3.469 123.434 119.914 0.084 0.000 2.495 472 V HA 0.565 4.685 4.120 0.001 0.000 0.298 472 V C -0.530 175.644 176.094 0.133 0.000 1.031 472 V CA -0.652 61.718 62.300 0.118 0.000 0.871 472 V CB 1.607 33.527 31.823 0.162 0.000 0.988 472 V HN 0.752 nan 8.190 nan 0.000 0.432 473 K N 2.799 123.268 120.400 0.115 0.000 2.480 473 K HA 0.920 5.241 4.320 0.001 0.000 0.258 473 K C -1.826 174.826 176.600 0.086 0.000 0.990 473 K CA -0.848 55.496 56.287 0.094 0.000 0.857 473 K CB 2.951 35.490 32.500 0.066 0.000 1.384 473 K HN 0.390 nan 8.250 nan 0.000 0.446 474 V N 1.573 121.525 119.914 0.064 0.000 2.969 474 V HA 0.201 4.321 4.120 0.001 0.000 0.304 474 V C -0.082 176.031 176.094 0.031 0.000 1.192 474 V CA -1.002 61.326 62.300 0.047 0.000 0.962 474 V CB 1.759 33.605 31.823 0.039 0.000 1.045 474 V HN 0.920 nan 8.190 nan 0.000 0.428 475 N N 2.355 121.070 118.700 0.024 0.000 2.765 475 N HA -0.276 4.464 4.740 0.001 0.000 0.248 475 N C 1.156 176.678 175.510 0.019 0.000 1.063 475 N CA 2.448 55.508 53.050 0.017 0.000 0.862 475 N CB -0.834 37.659 38.487 0.011 0.000 1.145 475 N HN 1.717 nan 8.380 nan 0.000 0.581 476 G N -0.317 108.499 108.800 0.026 0.000 2.397 476 G HA2 -0.332 3.629 3.960 0.001 0.000 0.211 476 G HA3 -0.332 3.629 3.960 0.001 0.000 0.211 476 G C -0.083 174.835 174.900 0.030 0.000 1.077 476 G CA 0.490 45.605 45.100 0.026 0.000 0.649 476 G HN 0.675 nan 8.290 nan 0.000 0.511 477 K N 1.631 122.047 120.400 0.027 0.000 2.355 477 K HA 0.403 4.723 4.320 0.001 0.000 0.270 477 K C -0.061 176.565 176.600 0.045 0.000 1.003 477 K CA -0.400 55.905 56.287 0.030 0.000 0.957 477 K CB 1.048 33.560 32.500 0.021 0.000 0.939 477 K HN 0.221 nan 8.250 nan 0.000 0.482 478 R N 3.344 123.874 120.500 0.050 0.000 2.316 478 R HA 0.092 4.432 4.340 0.001 0.000 0.314 478 R C 0.926 177.279 176.300 0.088 0.000 1.069 478 R CA 0.066 56.208 56.100 0.070 0.000 0.959 478 R CB 0.266 30.604 30.300 0.063 0.000 0.987 478 R HN 0.784 nan 8.270 nan 0.000 0.446 479 L N 2.171 123.475 121.223 0.135 0.000 2.117 479 L HA 0.241 4.582 4.340 0.001 0.000 0.200 479 L C 0.969 177.985 176.870 0.243 0.000 1.110 479 L CA 0.791 55.740 54.840 0.183 0.000 0.774 479 L CB -0.291 41.939 42.059 0.285 0.000 0.934 479 L HN 0.601 nan 8.230 nan 0.000 0.456 480 A N -1.224 121.779 122.820 0.305 0.000 2.524 480 A HA 0.728 5.049 4.320 0.001 0.000 0.286 480 A C -1.001 176.668 177.584 0.141 0.000 1.203 480 A CA -0.283 51.898 52.037 0.240 0.000 0.736 480 A CB 1.840 21.026 19.000 0.310 0.000 1.322 480 A HN 0.065 nan 8.150 nan 0.000 0.424 481 T N 0.708 115.324 114.554 0.104 0.000 3.011 481 T HA 0.423 4.773 4.350 0.001 0.000 0.303 481 T C -0.909 173.819 174.700 0.047 0.000 0.997 481 T CA -0.298 61.842 62.100 0.066 0.000 1.007 481 T CB 1.159 70.064 68.868 0.062 0.000 1.017 481 T HN 0.661 nan 8.240 nan 0.000 0.443 482 V N 5.291 125.220 119.914 0.025 0.000 2.434 482 V HA 0.090 4.211 4.120 0.001 0.000 0.281 482 V C 1.121 177.231 176.094 0.026 0.000 1.005 482 V CA 0.054 62.365 62.300 0.018 0.000 1.089 482 V CB -0.581 31.248 31.823 0.010 0.000 0.978 482 V HN 0.665 nan 8.190 nan 0.000 0.474 483 R N 3.891 124.410 120.500 0.030 0.000 2.522 483 R HA 0.213 4.553 4.340 0.001 0.000 0.284 483 R C 1.405 177.721 176.300 0.027 0.000 1.032 483 R CA 0.329 56.445 56.100 0.028 0.000 1.049 483 R CB 0.570 30.885 30.300 0.025 0.000 0.956 483 R HN 0.843 nan 8.270 nan 0.000 0.422 484 A N 3.249 126.082 122.820 0.022 0.000 1.898 484 A HA -0.177 4.143 4.320 0.001 0.000 0.216 484 A C 1.288 178.891 177.584 0.031 0.000 1.181 484 A CA 1.643 53.694 52.037 0.023 0.000 0.620 484 A CB -0.211 18.799 19.000 0.016 0.000 0.819 484 A HN 0.843 nan 8.150 nan 0.000 0.442 485 D N -0.728 119.685 120.400 0.021 0.000 2.338 485 D HA 0.009 4.649 4.640 0.001 0.000 0.239 485 D C 0.180 176.497 176.300 0.027 0.000 1.095 485 D CA 1.057 55.068 54.000 0.019 0.000 0.888 485 D CB 0.010 40.807 40.800 -0.006 0.000 0.899 485 D HN 0.582 nan 8.370 nan 0.000 0.525 486 D N -3.433 116.997 120.400 0.049 0.000 2.424 486 D HA 0.059 4.700 4.640 0.001 0.000 0.428 486 D C 1.457 177.832 176.300 0.126 0.000 1.148 486 D CA 0.224 54.278 54.000 0.089 0.000 0.986 486 D CB -0.883 39.913 40.800 -0.006 0.000 1.461 486 D HN 0.117 nan 8.370 nan 0.000 0.447 487 G N 1.006 109.859 108.800 0.089 0.000 2.225 487 G HA2 -0.260 3.701 3.960 0.001 0.000 0.267 487 G HA3 -0.260 3.701 3.960 0.001 0.000 0.267 487 G C -0.184 174.758 174.900 0.069 0.000 1.024 487 G CA 0.700 45.851 45.100 0.085 0.000 0.784 487 G HN 0.456 nan 8.290 nan 0.000 0.507 488 L N -0.044 121.212 121.223 0.054 0.000 2.307 488 L HA 0.529 4.870 4.340 0.001 0.000 0.284 488 L C 1.001 177.876 176.870 0.007 0.000 1.023 488 L CA -1.157 53.698 54.840 0.024 0.000 0.810 488 L CB 1.522 43.604 42.059 0.039 0.000 1.231 488 L HN 0.017 nan 8.230 nan 0.000 0.423 489 L N 2.778 123.978 121.223 -0.038 0.000 2.455 489 L HA 0.133 4.474 4.340 0.001 0.000 0.272 489 L C 0.309 177.269 176.870 0.150 0.000 1.174 489 L CA 0.370 55.228 54.840 0.030 0.000 0.869 489 L CB 0.389 42.445 42.059 -0.006 0.000 1.130 489 L HN 0.575 nan 8.230 nan 0.000 0.474 490 T N 4.934 119.573 114.554 0.142 0.000 2.756 490 T HA 0.449 4.799 4.350 0.001 0.000 0.290 490 T C 0.153 174.959 174.700 0.178 0.000 0.985 490 T CA -0.508 61.685 62.100 0.154 0.000 0.955 490 T CB 0.504 69.432 68.868 0.100 0.000 0.930 490 T HN 0.279 nan 8.240 nan 0.000 0.451 491 L N 2.567 123.913 121.223 0.204 0.000 2.452 491 L HA 0.584 4.925 4.340 0.001 0.000 0.267 491 L C 1.097 178.038 176.870 0.118 0.000 1.188 491 L CA -0.402 54.545 54.840 0.179 0.000 0.821 491 L CB 0.456 42.589 42.059 0.123 0.000 1.102 491 L HN 0.647 nan 8.230 nan 0.000 0.470 492 G N 1.042 109.908 108.800 0.111 0.000 2.495 492 G HA2 0.409 4.370 3.960 0.001 0.000 0.318 492 G HA3 0.409 4.370 3.960 0.001 0.000 0.318 492 G C 0.914 175.845 174.900 0.052 0.000 1.257 492 G CA -0.626 44.519 45.100 0.076 0.000 0.962 492 G HN 0.464 nan 8.290 nan 0.000 0.483 493 I N 0.886 121.476 120.570 0.034 0.000 2.247 493 I HA -0.323 3.847 4.170 0.001 0.000 0.249 493 I C 2.278 178.396 176.117 0.001 0.000 1.027 493 I CA 2.091 63.400 61.300 0.015 0.000 1.316 493 I CB -1.026 36.980 38.000 0.010 0.000 1.007 493 I HN 0.639 nan 8.210 nan 0.000 0.430 494 E N 1.098 121.302 120.200 0.006 0.000 2.072 494 E HA -0.083 4.267 4.350 0.001 0.000 0.190 494 E C 2.346 178.925 176.600 -0.036 0.000 0.982 494 E CA 1.550 57.942 56.400 -0.013 0.000 0.803 494 E CB -0.733 28.967 29.700 -0.001 0.000 0.755 494 E HN 0.462 nan 8.360 nan 0.000 0.453 495 G N 0.491 109.291 108.800 0.000 0.000 2.440 495 G HA2 -0.285 3.675 3.960 0.001 0.000 0.218 495 G HA3 -0.285 3.675 3.960 0.001 0.000 0.218 495 G C 1.716 176.567 174.900 -0.083 0.000 1.154 495 G CA 1.397 46.482 45.100 -0.025 0.000 0.767 495 G HN 0.458 nan 8.290 nan 0.000 0.552 496 A N 0.951 123.748 122.820 -0.037 0.000 1.877 496 A HA -0.037 4.284 4.320 0.001 0.000 0.216 496 A C 2.299 179.870 177.584 -0.022 0.000 1.186 496 A CA 2.032 54.043 52.037 -0.044 0.000 0.620 496 A CB -0.442 18.552 19.000 -0.010 0.000 0.822 496 A HN 0.379 nan 8.150 nan 0.000 0.443 497 K N -0.591 119.788 120.400 -0.035 0.000 2.113 497 K HA -0.187 4.134 4.320 0.001 0.000 0.208 497 K C 2.246 178.828 176.600 -0.030 0.000 1.047 497 K CA 1.672 57.931 56.287 -0.047 0.000 0.928 497 K CB -0.213 32.247 32.500 -0.067 0.000 0.716 497 K HN 0.440 nan 8.250 nan 0.000 0.446 498 R N 0.150 120.600 120.500 -0.083 0.000 2.093 498 R HA 0.019 4.360 4.340 0.001 0.000 0.224 498 R C 2.236 178.474 176.300 -0.104 0.000 1.101 498 R CA 0.575 56.604 56.100 -0.119 0.000 0.979 498 R CB -0.161 29.999 30.300 -0.233 0.000 0.877 498 R HN 0.106 nan 8.270 nan 0.000 0.441 499 L N 0.612 121.760 121.223 -0.125 0.000 2.093 499 L HA -0.177 4.164 4.340 0.001 0.000 0.208 499 L C 2.534 179.386 176.870 -0.030 0.000 1.085 499 L CA 1.674 56.447 54.840 -0.111 0.000 0.755 499 L CB -1.368 40.562 42.059 -0.214 0.000 0.904 499 L HN 0.332 nan 8.230 nan 0.000 0.435 500 H N 1.707 120.729 119.070 -0.080 0.000 2.352 500 H HA -0.190 4.366 4.556 0.001 0.000 0.299 500 H C 2.233 177.555 175.328 -0.009 0.000 1.097 500 H CA 2.226 58.255 56.048 -0.032 0.000 1.311 500 H CB 0.306 30.055 29.762 -0.023 0.000 1.377 500 H HN 0.439 nan 8.280 nan 0.000 0.504 501 R N -0.372 120.238 120.500 0.184 0.000 2.112 501 R HA 0.052 4.393 4.340 0.001 0.000 0.216 501 R C 2.316 178.644 176.300 0.047 0.000 1.080 501 R CA 1.074 57.251 56.100 0.127 0.000 0.996 501 R CB -0.468 29.883 30.300 0.084 0.000 0.902 501 R HN 0.035 nan 8.270 nan 0.000 0.449 502 V N 2.030 121.955 119.914 0.018 0.000 2.453 502 V HA -0.003 4.118 4.120 0.001 0.000 0.247 502 V C 1.371 177.473 176.094 0.014 0.000 1.048 502 V CA 0.992 63.298 62.300 0.010 0.000 1.049 502 V CB -0.367 31.455 31.823 -0.002 0.000 0.672 502 V HN 0.177 nan 8.190 nan 0.000 0.457 503 L N 1.304 122.525 121.223 -0.003 0.000 2.289 503 L HA 0.385 4.725 4.340 0.001 0.000 0.285 503 L C -2.469 174.389 176.870 -0.020 0.000 1.049 503 L CA -1.768 53.067 54.840 -0.007 0.000 0.804 503 L CB 1.266 43.311 42.059 -0.023 0.000 1.195 503 L HN 0.075 nan 8.230 nan 0.000 0.428 504 P HA 0.029 nan 4.420 nan 0.000 0.276 504 P C -0.822 176.505 177.300 0.045 0.000 1.230 504 P CA -0.228 62.893 63.100 0.034 0.000 0.776 504 P CB 0.315 32.042 31.700 0.046 0.000 0.888 505 Y N 6.364 126.631 120.300 -0.056 0.000 2.788 505 Y HA 0.030 4.581 4.550 0.001 0.000 0.341 505 Y C -0.994 174.916 175.900 0.017 0.000 1.258 505 Y CA -0.612 57.465 58.100 -0.037 0.000 1.503 505 Y CB 0.247 38.692 38.460 -0.024 0.000 1.325 505 Y HN 0.422 nan 8.280 nan 0.000 0.614 506 P HA 0.060 nan 4.420 nan 0.000 0.261 506 P C -0.613 176.445 177.300 -0.405 0.000 1.352 506 P CA 0.101 62.655 63.100 -0.910 0.000 0.891 506 P CB 0.199 31.527 31.700 -0.620 0.000 1.383 507 R N 1.427 121.800 120.500 -0.212 0.000 2.614 507 R HA -0.027 4.313 4.340 0.001 0.000 0.335 507 R C 1.222 177.437 176.300 -0.142 0.000 0.859 507 R CA 0.740 56.761 56.100 -0.132 0.000 1.123 507 R CB -0.464 29.793 30.300 -0.071 0.000 0.887 507 R HN 0.324 nan 8.270 nan 0.000 0.407 508 M N -0.317 119.211 119.600 -0.120 0.000 2.931 508 M HA -0.294 4.187 4.480 0.001 0.000 0.190 508 M C -0.108 176.124 176.300 -0.113 0.000 0.626 508 M CA 1.292 56.533 55.300 -0.098 0.000 0.722 508 M CB -0.862 31.684 32.600 -0.090 0.000 2.597 508 M HN 0.434 nan 8.290 nan 0.000 0.299 509 R N 0.701 121.103 120.500 -0.164 0.000 2.490 509 R HA 0.502 4.843 4.340 0.001 0.000 0.280 509 R C -0.208 176.015 176.300 -0.129 0.000 1.077 509 R CA 0.114 56.137 56.100 -0.128 0.000 1.065 509 R CB 0.854 31.046 30.300 -0.180 0.000 1.003 509 R HN 0.068 nan 8.270 nan 0.000 0.470 510 V N 4.199 124.087 119.914 -0.042 0.000 2.385 510 V HA 0.198 4.318 4.120 0.001 0.000 0.277 510 V C -0.734 175.394 176.094 0.058 0.000 1.012 510 V CA -0.830 61.448 62.300 -0.036 0.000 0.832 510 V CB 1.599 33.408 31.823 -0.023 0.000 1.028 510 V HN 0.484 nan 8.190 nan 0.000 0.436 511 V N 6.056 126.036 119.914 0.110 0.000 2.439 511 V HA 0.333 4.453 4.120 0.001 0.000 0.271 511 V C 0.406 176.603 176.094 0.171 0.000 1.040 511 V CA -0.268 62.154 62.300 0.202 0.000 1.002 511 V CB 1.075 33.109 31.823 0.352 0.000 1.000 511 V HN 0.657 nan 8.190 nan 0.000 0.477 512 V N 2.109 122.114 119.914 0.152 0.000 2.966 512 V HA 0.608 4.728 4.120 0.001 0.000 0.317 512 V C 0.300 176.467 176.094 0.122 0.000 1.070 512 V CA -1.178 61.211 62.300 0.149 0.000 1.008 512 V CB 1.426 33.336 31.823 0.146 0.000 1.070 512 V HN 0.690 nan 8.190 nan 0.000 0.457 513 N N 0.835 119.605 118.700 0.116 0.000 2.273 513 N HA 0.072 4.812 4.740 0.001 0.000 0.227 513 N C 0.726 176.236 175.510 0.000 0.000 1.292 513 N CA 0.171 53.252 53.050 0.052 0.000 0.875 513 N CB 0.524 39.011 38.487 0.001 0.000 1.105 513 N HN 0.740 nan 8.380 nan 0.000 0.434 514 K N 0.727 121.118 120.400 -0.015 0.000 2.155 514 K HA -0.029 4.291 4.320 0.001 0.000 0.203 514 K C 1.415 177.983 176.600 -0.053 0.000 1.052 514 K CA 0.885 57.160 56.287 -0.020 0.000 0.948 514 K CB -0.045 32.447 32.500 -0.013 0.000 0.728 514 K HN 0.568 nan 8.250 nan 0.000 0.448 515 E N 0.174 120.303 120.200 -0.119 0.000 2.107 515 E HA -0.078 4.273 4.350 0.001 0.000 0.191 515 E C 1.628 178.125 176.600 -0.170 0.000 0.982 515 E CA 0.918 57.213 56.400 -0.176 0.000 0.809 515 E CB 0.037 29.548 29.700 -0.315 0.000 0.756 515 E HN 0.301 nan 8.360 nan 0.000 0.459 516 A N 0.640 123.286 122.820 -0.290 0.000 2.119 516 A HA -0.094 4.227 4.320 0.001 0.000 0.216 516 A C 1.792 179.447 177.584 0.119 0.000 1.152 516 A CA 0.667 52.626 52.037 -0.131 0.000 0.708 516 A CB -0.259 18.640 19.000 -0.168 0.000 0.805 516 A HN 0.270 nan 8.150 nan 0.000 0.460 517 E N 0.042 120.273 120.200 0.052 0.000 2.086 517 E HA -0.211 4.139 4.350 0.001 0.000 0.200 517 E C -0.683 175.945 176.600 0.048 0.000 1.012 517 E CA 1.932 58.365 56.400 0.055 0.000 0.812 517 E CB -0.689 29.023 29.700 0.021 0.000 0.743 517 E HN 0.454 nan 8.360 nan 0.000 0.453 518 P HA -0.172 nan 4.420 nan 0.000 0.214 518 P C 0.898 178.119 177.300 -0.132 0.000 1.163 518 P CA 1.377 64.397 63.100 -0.133 0.000 0.883 518 P CB -0.134 31.384 31.700 -0.303 0.000 0.788 519 F N 0.199 120.139 119.950 -0.017 0.000 2.065 519 F HA -0.208 4.319 4.527 0.001 0.000 0.298 519 F C 2.513 178.334 175.800 0.036 0.000 1.112 519 F CA 1.609 59.618 58.000 0.016 0.000 1.212 519 F CB -1.673 37.348 39.000 0.035 0.000 0.975 519 F HN -0.124 nan 8.300 nan 0.000 0.476 520 A N -0.129 122.838 122.820 0.244 0.000 2.024 520 A HA -0.172 4.148 4.320 0.001 0.000 0.220 520 A C 2.337 179.975 177.584 0.090 0.000 1.164 520 A CA 1.231 53.361 52.037 0.155 0.000 0.643 520 A CB -0.546 18.535 19.000 0.136 0.000 0.806 520 A HN 0.205 nan 8.150 nan 0.000 0.451 521 R N -0.273 120.262 120.500 0.058 0.000 2.081 521 R HA -0.113 4.227 4.340 0.001 0.000 0.235 521 R C 1.926 178.234 176.300 0.014 0.000 1.131 521 R CA 1.788 57.899 56.100 0.018 0.000 0.960 521 R CB -0.311 29.980 30.300 -0.015 0.000 0.856 521 R HN 0.482 nan 8.270 nan 0.000 0.436 522 K N -1.648 118.762 120.400 0.017 0.000 1.974 522 K HA 0.008 4.328 4.320 0.001 0.000 0.211 522 K C 1.557 178.184 176.600 0.045 0.000 1.039 522 K CA 1.651 57.950 56.287 0.018 0.000 0.947 522 K CB -0.115 32.392 32.500 0.011 0.000 0.735 522 K HN 0.370 nan 8.250 nan 0.000 0.441 523 G N -1.351 107.496 108.800 0.079 0.000 4.589 523 G HA2 -0.026 3.934 3.960 0.001 0.000 0.218 523 G HA3 -0.026 3.934 3.960 0.001 0.000 0.218 523 G C -0.709 174.259 174.900 0.113 0.000 0.678 523 G CA -0.566 44.582 45.100 0.081 0.000 0.859 523 G HN -0.097 nan 8.290 nan 0.000 0.650 524 K N 1.912 122.413 120.400 0.169 0.000 2.494 524 K HA 0.172 4.493 4.320 0.001 0.000 0.273 524 K C -0.069 176.648 176.600 0.195 0.000 0.970 524 K CA 0.051 56.467 56.287 0.215 0.000 0.963 524 K CB 0.615 33.323 32.500 0.346 0.000 0.913 524 K HN 0.208 nan 8.250 nan 0.000 0.502 525 D N 0.717 121.229 120.400 0.187 0.000 2.372 525 D HA 0.060 4.700 4.640 0.001 0.000 0.243 525 D C -0.121 176.297 176.300 0.196 0.000 1.121 525 D CA -0.256 53.807 54.000 0.105 0.000 0.898 525 D CB 0.822 41.594 40.800 -0.047 0.000 1.202 525 D HN -0.011 nan 8.370 nan 0.000 0.428 526 V N 2.588 122.553 119.914 0.085 0.000 2.461 526 V HA 0.144 4.265 4.120 0.001 0.000 0.275 526 V C -0.031 176.090 176.094 0.045 0.000 1.047 526 V CA -0.439 61.964 62.300 0.171 0.000 0.955 526 V CB 0.065 31.950 31.823 0.102 0.000 0.988 526 V HN 0.270 nan 8.190 nan 0.000 0.471 527 F N 3.045 122.983 119.950 -0.020 0.000 2.410 527 F HA 0.515 5.042 4.527 0.001 0.000 0.349 527 F C 1.390 177.079 175.800 -0.185 0.000 1.117 527 F CA -0.332 57.559 58.000 -0.183 0.000 1.104 527 F CB 1.341 40.104 39.000 -0.394 0.000 1.122 527 F HN 0.596 nan 8.300 nan 0.000 0.483 528 A N 3.847 126.640 122.820 -0.045 0.000 1.985 528 A HA -0.327 3.993 4.320 0.001 0.000 0.223 528 A C 2.209 179.795 177.584 0.004 0.000 1.189 528 A CA 2.500 54.538 52.037 0.001 0.000 0.658 528 A CB -0.894 18.131 19.000 0.042 0.000 0.820 528 A HN 0.870 nan 8.150 nan 0.000 0.464 529 K N -1.631 118.696 120.400 -0.122 0.000 2.365 529 K HA 0.024 4.345 4.320 0.001 0.000 0.199 529 K C 1.202 177.772 176.600 -0.050 0.000 1.045 529 K CA 1.367 57.549 56.287 -0.175 0.000 0.962 529 K CB -0.368 31.914 32.500 -0.364 0.000 0.759 529 K HN 0.517 nan 8.250 nan 0.000 0.469 530 F N 1.431 121.413 119.950 0.053 0.000 2.727 530 F HA 0.161 4.688 4.527 0.001 0.000 0.302 530 F C 0.129 175.967 175.800 0.063 0.000 1.097 530 F CA -1.043 56.984 58.000 0.045 0.000 1.330 530 F CB 0.929 39.955 39.000 0.043 0.000 1.084 530 F HN -0.232 nan 8.300 nan 0.000 0.578 531 V N 3.446 123.489 119.914 0.215 0.000 2.385 531 V HA 0.024 4.144 4.120 0.001 0.000 0.269 531 V C 1.142 177.328 176.094 0.154 0.000 1.043 531 V CA -0.279 62.116 62.300 0.159 0.000 0.906 531 V CB 0.969 32.850 31.823 0.097 0.000 0.995 531 V HN 0.296 nan 8.190 nan 0.000 0.467 532 I N 2.267 122.943 120.570 0.177 0.000 2.852 532 I HA 0.405 4.576 4.170 0.001 0.000 0.264 532 I C 0.317 176.602 176.117 0.280 0.000 1.179 532 I CA 0.930 62.346 61.300 0.193 0.000 1.480 532 I CB 0.374 38.480 38.000 0.178 0.000 1.111 532 I HN 0.485 nan 8.210 nan 0.000 0.441 533 F N 1.235 121.232 119.950 0.079 0.000 2.690 533 F HA 0.721 5.248 4.527 0.001 0.000 0.311 533 F C -1.726 174.099 175.800 0.041 0.000 1.111 533 F CA -0.471 57.567 58.000 0.064 0.000 1.003 533 F CB 1.112 40.160 39.000 0.079 0.000 1.283 533 F HN 0.056 nan 8.300 nan 0.000 0.442 534 A N 3.391 125.538 122.820 -1.121 0.000 2.539 534 A HA 0.538 4.858 4.320 0.001 0.000 0.296 534 A C -1.597 175.365 177.584 -1.036 0.000 1.073 534 A CA -0.698 50.817 52.037 -0.870 0.000 0.700 534 A CB 1.285 20.065 19.000 -0.366 0.000 1.296 534 A HN 0.781 nan 8.150 nan 0.000 0.405 535 D N 1.693 121.727 120.400 -0.610 0.000 2.502 535 D HA 0.136 4.777 4.640 0.001 0.000 0.249 535 D C -1.539 174.598 176.300 -0.272 0.000 1.188 535 D CA -0.947 52.828 54.000 -0.375 0.000 0.890 535 D CB 0.865 41.522 40.800 -0.238 0.000 1.140 535 D HN 0.109 nan 8.370 nan 0.000 0.505 536 P HA -0.024 nan 4.420 nan 0.000 0.221 536 P C 1.223 178.454 177.300 -0.115 0.000 1.145 536 P CA 1.074 64.098 63.100 -0.126 0.000 0.795 536 P CB 0.192 31.860 31.700 -0.052 0.000 0.775 537 G N -0.639 108.100 108.800 -0.102 0.000 2.484 537 G HA2 -0.076 3.885 3.960 0.001 0.000 0.218 537 G HA3 -0.076 3.885 3.960 0.001 0.000 0.218 537 G C 0.633 175.479 174.900 -0.089 0.000 1.130 537 G CA -0.128 44.921 45.100 -0.086 0.000 0.784 537 G HN 0.235 nan 8.290 nan 0.000 0.543 538 I N 1.330 121.839 120.570 -0.102 0.000 2.775 538 I HA 0.098 4.269 4.170 0.001 0.000 0.290 538 I C 0.402 176.468 176.117 -0.084 0.000 1.203 538 I CA 0.261 61.510 61.300 -0.085 0.000 1.433 538 I CB 0.484 38.422 38.000 -0.104 0.000 1.354 538 I HN 0.015 nan 8.210 nan 0.000 0.579 539 R N 5.892 126.359 120.500 -0.055 0.000 2.854 539 R HA 0.470 4.810 4.340 0.001 0.000 0.271 539 R C -2.612 173.677 176.300 -0.017 0.000 0.994 539 R CA -2.425 53.650 56.100 -0.041 0.000 0.945 539 R CB 1.136 31.420 30.300 -0.026 0.000 1.194 539 R HN 0.177 nan 8.270 nan 0.000 0.476 540 P HA -0.030 nan 4.420 nan 0.000 0.261 540 P C -0.791 176.567 177.300 0.096 0.000 1.173 540 P CA 0.644 63.713 63.100 -0.051 0.000 0.760 540 P CB -0.019 31.728 31.700 0.079 0.000 0.783 541 Y N -0.864 119.413 120.300 -0.039 0.000 4.907 541 Y HA -0.268 4.282 4.550 0.001 0.000 0.246 541 Y C 0.945 176.840 175.900 -0.008 0.000 0.968 541 Y CA 0.643 58.723 58.100 -0.034 0.000 1.961 541 Y CB -2.221 36.208 38.460 -0.051 0.000 1.487 541 Y HN 0.376 nan 8.280 nan 0.000 0.575 542 D N 1.714 122.165 120.400 0.086 0.000 2.361 542 D HA 0.084 4.725 4.640 0.001 0.000 0.239 542 D C 0.529 176.896 176.300 0.112 0.000 1.200 542 D CA 0.191 54.249 54.000 0.096 0.000 0.915 542 D CB 0.571 41.408 40.800 0.061 0.000 1.170 542 D HN 0.114 nan 8.370 nan 0.000 0.444 543 E N 0.348 120.671 120.200 0.205 0.000 2.289 543 E HA 0.269 4.620 4.350 0.001 0.000 0.278 543 E C -0.595 176.064 176.600 0.098 0.000 1.032 543 E CA -0.358 56.160 56.400 0.196 0.000 0.854 543 E CB 1.825 31.754 29.700 0.381 0.000 1.046 543 E HN 0.029 nan 8.360 nan 0.000 0.409 544 V N 4.092 124.026 119.914 0.034 0.000 2.962 544 V HA 0.370 4.491 4.120 0.001 0.000 0.313 544 V C -0.817 175.271 176.094 -0.009 0.000 1.099 544 V CA -0.809 61.488 62.300 -0.006 0.000 0.971 544 V CB 1.923 33.732 31.823 -0.023 0.000 1.028 544 V HN 0.500 nan 8.190 nan 0.000 0.430 545 L N 5.643 126.857 121.223 -0.015 0.000 2.264 545 L HA 0.482 4.822 4.340 0.001 0.000 0.287 545 L C -0.349 176.551 176.870 0.049 0.000 1.039 545 L CA -0.658 54.196 54.840 0.024 0.000 0.829 545 L CB 1.457 43.539 42.059 0.038 0.000 1.211 545 L HN 0.331 nan 8.230 nan 0.000 0.427 546 V N 4.479 124.428 119.914 0.058 0.000 2.637 546 V HA 0.337 4.457 4.120 0.001 0.000 0.296 546 V C 0.225 176.382 176.094 0.105 0.000 1.046 546 V CA -0.006 62.337 62.300 0.073 0.000 1.066 546 V CB 1.745 33.609 31.823 0.070 0.000 0.968 546 V HN 0.526 nan 8.190 nan 0.000 0.483 547 V N 4.477 124.465 119.914 0.123 0.000 3.242 547 V HA 0.547 4.668 4.120 0.001 0.000 0.298 547 V C -0.928 175.257 176.094 0.151 0.000 1.352 547 V CA -0.825 61.568 62.300 0.154 0.000 1.052 547 V CB 2.768 34.730 31.823 0.230 0.000 1.101 547 V HN 1.063 nan 8.190 nan 0.000 0.446 548 N N 1.709 120.489 118.700 0.135 0.000 2.476 548 N HA 0.338 5.079 4.740 0.001 0.000 0.287 548 N C 0.532 176.119 175.510 0.127 0.000 1.262 548 N CA -0.131 52.987 53.050 0.113 0.000 0.980 548 N CB 0.314 38.843 38.487 0.071 0.000 1.163 548 N HN 0.654 nan 8.380 nan 0.000 0.592 549 E N -1.136 119.119 120.200 0.092 0.000 2.333 549 E HA -0.127 4.224 4.350 0.001 0.000 0.198 549 E C 0.286 176.893 176.600 0.011 0.000 1.007 549 E CA 0.675 57.116 56.400 0.068 0.000 0.845 549 E CB -0.206 29.518 29.700 0.040 0.000 0.766 549 E HN 0.463 nan 8.360 nan 0.000 0.507 550 N N 0.964 119.675 118.700 0.018 0.000 2.412 550 N HA -0.080 4.660 4.740 0.001 0.000 0.184 550 N C -0.197 175.318 175.510 0.008 0.000 1.101 550 N CA 0.480 53.523 53.050 -0.011 0.000 0.881 550 N CB 0.363 38.850 38.487 0.000 0.000 0.969 550 N HN 0.048 nan 8.380 nan 0.000 0.459 551 D N 1.130 121.579 120.400 0.083 0.000 2.809 551 D HA -0.150 4.490 4.640 0.001 0.000 0.234 551 D C -1.060 175.405 176.300 0.276 0.000 1.111 551 D CA 0.564 54.688 54.000 0.208 0.000 0.726 551 D CB -1.416 39.461 40.800 0.128 0.000 1.089 551 D HN 0.375 nan 8.370 nan 0.000 0.436 552 E N 0.412 120.707 120.200 0.159 0.000 2.134 552 E HA 0.328 4.679 4.350 0.001 0.000 0.278 552 E C 0.165 176.793 176.600 0.047 0.000 0.959 552 E CA -1.282 55.153 56.400 0.058 0.000 0.783 552 E CB 1.423 31.132 29.700 0.016 0.000 1.095 552 E HN 0.194 nan 8.360 nan 0.000 0.399 553 L N 4.631 125.793 121.223 -0.101 0.000 2.628 553 L HA -0.088 4.253 4.340 0.001 0.000 0.274 553 L C 0.097 176.959 176.870 -0.013 0.000 1.209 553 L CA 0.963 55.770 54.840 -0.056 0.000 0.930 553 L CB 0.060 41.990 42.059 -0.216 0.000 1.183 553 L HN 0.722 nan 8.230 nan 0.000 0.492 554 L N 4.966 126.210 121.223 0.035 0.000 2.425 554 L HA 0.550 4.891 4.340 0.001 0.000 0.215 554 L C 0.691 177.581 176.870 0.033 0.000 1.065 554 L CA 0.482 55.343 54.840 0.033 0.000 0.842 554 L CB -0.191 41.903 42.059 0.058 0.000 1.033 554 L HN 0.831 nan 8.230 nan 0.000 0.474 555 A N -1.004 121.841 122.820 0.041 0.000 2.522 555 A HA 0.565 4.886 4.320 0.001 0.000 0.294 555 A C -0.996 176.613 177.584 0.041 0.000 1.001 555 A CA -0.515 51.545 52.037 0.039 0.000 0.642 555 A CB 0.586 19.616 19.000 0.049 0.000 1.326 555 A HN -0.119 nan 8.150 nan 0.000 0.435 556 T N 0.211 114.785 114.554 0.034 0.000 2.888 556 T HA 0.828 5.179 4.350 0.001 0.000 0.284 556 T C 0.418 175.137 174.700 0.032 0.000 1.017 556 T CA 0.218 62.337 62.100 0.031 0.000 1.022 556 T CB 1.737 70.623 68.868 0.029 0.000 1.013 556 T HN 1.871 nan 8.240 nan 0.000 0.465 557 G N 0.636 109.452 108.800 0.026 0.000 2.731 557 G HA2 0.592 4.552 3.960 0.001 0.000 0.309 557 G HA3 0.592 4.552 3.960 0.001 0.000 0.309 557 G C -1.936 172.974 174.900 0.017 0.000 1.273 557 G CA -0.593 44.519 45.100 0.019 0.000 0.798 557 G HN 0.660 nan 8.290 nan 0.000 0.509 558 Q N -0.423 119.373 119.800 -0.007 0.000 2.337 558 Q HA 0.645 4.985 4.340 0.001 0.000 0.270 558 Q C -0.264 175.679 176.000 -0.095 0.000 1.043 558 Q CA -0.792 55.001 55.803 -0.016 0.000 0.794 558 Q CB 2.018 30.765 28.738 0.015 0.000 1.281 558 Q HN 0.914 nan 8.270 nan 0.000 0.446 559 A N 3.985 126.735 122.820 -0.115 0.000 2.425 559 A HA 0.320 4.641 4.320 0.001 0.000 0.249 559 A C 0.124 177.490 177.584 -0.365 0.000 1.084 559 A CA -0.148 51.776 52.037 -0.188 0.000 0.781 559 A CB 0.202 19.118 19.000 -0.141 0.000 1.019 559 A HN 0.934 nan 8.150 nan 0.000 0.490 560 L N 1.579 122.576 121.223 -0.376 0.000 2.766 560 L HA 0.319 4.659 4.340 0.001 0.000 0.242 560 L C -0.393 176.235 176.870 -0.403 0.000 1.136 560 L CA 0.314 54.844 54.840 -0.518 0.000 0.933 560 L CB -0.381 41.431 42.059 -0.411 0.000 1.241 560 L HN 0.554 nan 8.230 nan 0.000 0.522 561 L N -1.429 119.626 121.223 -0.281 0.000 2.403 561 L HA 0.444 4.785 4.340 0.001 0.000 0.253 561 L C 0.081 176.897 176.870 -0.090 0.000 1.045 561 L CA -0.669 54.070 54.840 -0.168 0.000 0.845 561 L CB 2.331 44.298 42.059 -0.154 0.000 1.447 561 L HN -0.065 nan 8.230 nan 0.000 0.411 562 S N -0.778 114.925 115.700 0.004 0.000 2.632 562 S HA 0.359 4.829 4.470 0.001 0.000 0.271 562 S C 1.056 175.637 174.600 -0.032 0.000 1.260 562 S CA -0.069 58.120 58.200 -0.017 0.000 1.010 562 S CB 1.443 64.640 63.200 -0.004 0.000 0.965 562 S HN 0.825 nan 8.310 nan 0.000 0.534 563 G N 1.928 110.677 108.800 -0.086 0.000 2.719 563 G HA2 -0.362 3.599 3.960 0.001 0.000 0.219 563 G HA3 -0.362 3.599 3.960 0.001 0.000 0.219 563 G C 1.377 176.230 174.900 -0.078 0.000 1.234 563 G CA 1.245 46.269 45.100 -0.126 0.000 0.788 563 G HN 0.880 nan 8.290 nan 0.000 0.619 564 R N 0.787 121.260 120.500 -0.045 0.000 2.140 564 R HA -0.188 4.152 4.340 0.001 0.000 0.250 564 R C 2.513 178.874 176.300 0.101 0.000 1.150 564 R CA 2.215 58.330 56.100 0.025 0.000 0.966 564 R CB -0.393 29.933 30.300 0.044 0.000 0.869 564 R HN 0.614 nan 8.270 nan 0.000 0.445 565 E N -0.059 120.243 120.200 0.169 0.000 2.072 565 E HA -0.175 4.175 4.350 0.001 0.000 0.191 565 E C 2.202 178.988 176.600 0.310 0.000 0.985 565 E CA 1.503 58.092 56.400 0.315 0.000 0.801 565 E CB -0.129 29.809 29.700 0.398 0.000 0.750 565 E HN 0.417 nan 8.360 nan 0.000 0.452 566 M N 0.547 120.229 119.600 0.137 0.000 2.144 566 M HA -0.222 4.259 4.480 0.001 0.000 0.260 566 M C 2.314 178.677 176.300 0.105 0.000 1.067 566 M CA 1.480 56.829 55.300 0.081 0.000 1.095 566 M CB -0.542 32.049 32.600 -0.014 0.000 1.365 566 M HN 0.164 nan 8.290 nan 0.000 0.406 567 I N -0.092 120.525 120.570 0.078 0.000 2.110 567 I HA -0.230 3.940 4.170 0.001 0.000 0.236 567 I C 2.514 178.686 176.117 0.091 0.000 1.068 567 I CA 1.555 62.904 61.300 0.082 0.000 1.333 567 I CB -0.861 37.183 38.000 0.073 0.000 1.054 567 I HN 0.224 nan 8.210 nan 0.000 0.402 568 V N -1.375 118.582 119.914 0.073 0.000 2.490 568 V HA -0.139 3.981 4.120 0.001 0.000 0.250 568 V C 1.157 177.226 176.094 -0.040 0.000 1.061 568 V CA 0.726 63.025 62.300 -0.002 0.000 1.064 568 V CB -1.268 30.511 31.823 -0.075 0.000 0.670 568 V HN 0.058 nan 8.190 nan 0.000 0.461 569 F N 1.509 121.491 119.950 0.053 0.000 2.538 569 F HA 0.308 4.835 4.527 0.001 0.000 0.371 569 F C 1.522 177.325 175.800 0.004 0.000 1.087 569 F CA 0.385 58.418 58.000 0.056 0.000 1.250 569 F CB 0.829 39.847 39.000 0.029 0.000 1.110 569 F HN 0.061 nan 8.300 nan 0.000 0.570 570 Q N 2.863 122.779 119.800 0.192 0.000 2.246 570 Q HA 0.122 4.462 4.340 0.001 0.000 0.222 570 Q C -1.085 174.699 176.000 -0.360 0.000 0.851 570 Q CA 0.340 56.056 55.803 -0.146 0.000 0.945 570 Q CB 0.595 29.143 28.738 -0.317 0.000 1.122 570 Q HN 0.565 nan 8.270 nan 0.000 0.508 571 Y N -0.326 120.059 120.300 0.142 0.000 2.425 571 Y HA 0.594 5.145 4.550 0.001 0.000 0.344 571 Y C 0.847 176.740 175.900 -0.011 0.000 0.969 571 Y CA -0.594 57.546 58.100 0.066 0.000 1.052 571 Y CB 1.951 40.452 38.460 0.069 0.000 1.215 571 Y HN 0.148 nan 8.280 nan 0.000 0.451 572 G N 1.901 110.758 108.800 0.095 0.000 2.663 572 G HA2 -0.126 3.834 3.960 0.001 0.000 0.686 572 G HA3 -0.126 3.834 3.960 0.001 0.000 0.686 572 G C -1.062 173.656 174.900 -0.302 0.000 1.288 572 G CA -1.302 43.734 45.100 -0.106 0.000 0.836 572 G HN 0.666 nan 8.290 nan 0.000 0.584 573 R N -0.093 120.089 120.500 -0.529 0.000 2.582 573 R HA 0.581 4.921 4.340 0.001 0.000 0.271 573 R C 1.335 177.377 176.300 -0.429 0.000 1.078 573 R CA 0.363 56.029 56.100 -0.724 0.000 1.127 573 R CB 1.059 30.952 30.300 -0.678 0.000 1.038 573 R HN 1.059 nan 8.270 nan 0.000 0.500 574 A N 1.723 124.338 122.820 -0.341 0.000 2.026 574 A HA 0.242 4.562 4.320 0.001 0.000 0.198 574 A C -0.104 177.361 177.584 -0.199 0.000 1.390 574 A CA 0.234 52.138 52.037 -0.221 0.000 0.915 574 A CB 0.888 19.817 19.000 -0.118 0.000 0.974 574 A HN 0.344 nan 8.150 nan 0.000 0.477 575 V N 1.031 120.836 119.914 -0.182 0.000 2.612 575 V HA 0.270 4.390 4.120 0.001 0.000 0.301 575 V C -0.591 175.427 176.094 -0.128 0.000 1.059 575 V CA -0.853 61.368 62.300 -0.132 0.000 0.886 575 V CB 1.790 33.575 31.823 -0.063 0.000 1.007 575 V HN 0.401 nan 8.190 nan 0.000 0.426 576 K N 4.521 124.849 120.400 -0.119 0.000 2.220 576 K HA 0.395 4.716 4.320 0.001 0.000 0.283 576 K C -0.527 176.054 176.600 -0.032 0.000 1.098 576 K CA -0.326 55.910 56.287 -0.086 0.000 0.928 576 K CB 0.738 33.192 32.500 -0.077 0.000 1.214 576 K HN 0.526 nan 8.250 nan 0.000 0.442 577 V N 6.149 126.058 119.914 -0.007 0.000 2.485 577 V HA -0.019 4.101 4.120 0.001 0.000 0.287 577 V C 1.499 177.610 176.094 0.028 0.000 1.022 577 V CA 0.138 62.452 62.300 0.023 0.000 1.067 577 V CB 0.563 32.417 31.823 0.051 0.000 0.967 577 V HN 0.852 nan 8.190 nan 0.000 0.479 578 R N 3.104 123.622 120.500 0.030 0.000 2.078 578 R HA 0.087 4.427 4.340 0.001 0.000 0.224 578 R C 0.737 177.059 176.300 0.037 0.000 1.149 578 R CA 1.095 57.216 56.100 0.034 0.000 0.916 578 R CB 0.136 30.460 30.300 0.041 0.000 0.821 578 R HN 0.585 nan 8.270 nan 0.000 0.434 579 K N -0.571 119.851 120.400 0.037 0.000 2.532 579 K HA 0.337 4.657 4.320 0.001 0.000 0.265 579 K C -0.955 175.665 176.600 0.034 0.000 0.948 579 K CA -0.495 55.813 56.287 0.035 0.000 0.842 579 K CB 2.226 34.745 32.500 0.031 0.000 1.392 579 K HN 0.217 nan 8.250 nan 0.000 0.436 580 G N 0.213 109.032 108.800 0.032 0.000 2.557 580 G HA2 0.289 4.249 3.960 0.001 0.000 0.292 580 G HA3 0.289 4.249 3.960 0.001 0.000 0.292 580 G C 0.433 175.341 174.900 0.013 0.000 1.237 580 G CA -0.588 44.529 45.100 0.027 0.000 0.978 580 G HN 0.332 nan 8.290 nan 0.000 0.498 581 V N -0.617 119.300 119.914 0.005 0.000 3.174 581 V HA 0.086 4.207 4.120 0.001 0.000 0.254 581 V C 1.361 177.448 176.094 -0.011 0.000 1.120 581 V CA 0.928 63.222 62.300 -0.009 0.000 1.114 581 V CB -0.375 31.436 31.823 -0.020 0.000 0.756 581 V HN 0.741 nan 8.190 nan 0.000 0.467 582 E N 0.000 120.195 120.200 -0.009 0.000 2.725 582 E HA 0.000 4.350 4.350 0.001 0.000 0.291 582 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 582 E CB 0.000 29.688 29.700 -0.021 0.000 0.812 582 E HN 0.000 nan 8.360 nan 0.000 0.440