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 1ik3_1_A DATA FIRST_RESID 9 DATA SEQUENCE GHKIKGTVVL MRKNVLDVNS VTSVXXXXXX XXXXXXXTLD TLTAFLGRSV DATA SEQUENCE SLQLISATKA DANGKGKLGK ATFLEGIITS LPTLGAGQSA FKINFEWDDG DATA SEQUENCE SGIPGAFYIK NFMQTEFFLV SLTLEDIPNH GSIHFVCNSW IYNAKLFKSD DATA SEQUENCE RIFFANQTYL PSETPAPLVK YREEELHNLR GDGTGERKEW ERIYDYDVYN DATA SEQUENCE DLGDPDKGEN HARPVLGGND TFPYPRRGRT GRKPTRKDPN SESRSNDVYL DATA SEQUENCE PRDEAFGHLK SSDFLTYGLK SVSQNVLPLL QSAFDLNFTP REFDSFDEVH DATA SEQUENCE GLYSGGIKLP TDIISKISPL PVLKEIFRTD GEQALKFPPP KVIQVSKSAW DATA SEQUENCE MTDEEFAREM LAGVNPNLIR CLKDFPPRSK LDSQVYGDHT SQITKEHLEP DATA SEQUENCE NLEGLTVDEA IQNKRLFLLD HHDPIMPYLR RINATSTKAY ATRTILFLKN DATA SEQUENCE DGTLRPLAIE LSLPHPQGDQ SGAFSQVFLP ADEGVESSIW LLAKAYVVVN DATA SEQUENCE DSCYHQLVSH WLNTHAVVEP FIIATNRHLS VVHPIYKLLH PHYRDTMNIN DATA SEQUENCE GLARLSLVND GGVIEQTFLW GRYSVEMSAV VYKDWVFTDQ ALPADLIKRG DATA SEQUENCE MAIEDPSCPH GIRLVIEDYP YTVDGLEIWD AIKTWVHEYV FLYYKSDDTL DATA SEQUENCE REDPELQACW KELVEVGHGD KKNEPWWPKM QTREELVEAC AIIIWTASAL DATA SEQUENCE HAAVNFGQYP YGGLILNRPT LSRRFMPEKG SAEYEELRKN PQKAYLKTIT DATA SEQUENCE PKFQTLIDLS VIEILSRHAS DEVYLGERDN PNWTSDTRAL EAFKRFGNKL DATA SEQUENCE AQIENKLSER NNDEKLRNRC GPVQMPYTLL LPSSKEGLTF RGIPNSISI 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.971 3.960 0.018 0.000 0.244 9 G C 0.000 175.032 174.900 0.220 0.000 0.946 9 G CA 0.000 45.166 45.100 0.110 0.000 0.502 10 H N -1.223 117.902 119.070 0.090 0.000 2.866 10 H HA 0.575 5.142 4.556 0.018 0.000 0.259 10 H C -1.794 173.617 175.328 0.139 0.000 1.442 10 H CA -0.565 55.551 56.048 0.113 0.000 1.156 10 H CB 1.323 31.169 29.762 0.140 0.000 1.785 10 H HN 0.499 nan 8.280 nan 0.000 0.456 11 K N 2.208 122.701 120.400 0.155 0.000 2.716 11 K HA 0.353 4.684 4.320 0.018 0.000 0.249 11 K C -1.297 175.514 176.600 0.351 0.000 1.004 11 K CA -0.347 56.066 56.287 0.211 0.000 0.968 11 K CB 0.986 33.507 32.500 0.035 0.000 1.214 11 K HN 0.386 nan 8.250 nan 0.000 0.476 12 I N 4.582 125.380 120.570 0.379 0.000 2.471 12 I HA 0.032 4.213 4.170 0.018 0.000 0.286 12 I C 0.278 176.535 176.117 0.233 0.000 1.079 12 I CA 0.077 61.542 61.300 0.275 0.000 1.398 12 I CB 0.531 38.602 38.000 0.118 0.000 1.403 12 I HN 0.230 nan 8.210 nan 0.000 0.530 13 K N 5.840 126.341 120.400 0.168 0.000 2.276 13 K HA 0.475 4.806 4.320 0.018 0.000 0.283 13 K C 0.155 176.833 176.600 0.131 0.000 1.044 13 K CA -0.370 55.983 56.287 0.111 0.000 0.944 13 K CB 1.013 33.560 32.500 0.077 0.000 1.012 13 K HN 0.763 nan 8.250 nan 0.000 0.472 14 G N 1.344 110.211 108.800 0.113 0.000 2.482 14 G HA2 0.436 4.406 3.960 0.018 0.000 0.317 14 G HA3 0.436 4.406 3.960 0.018 0.000 0.317 14 G C -1.011 173.924 174.900 0.058 0.000 1.241 14 G CA -0.429 44.762 45.100 0.151 0.000 0.967 14 G HN 0.374 nan 8.290 nan 0.000 0.482 15 T N 0.962 115.551 114.554 0.059 0.000 2.809 15 T HA 0.483 4.843 4.350 0.018 0.000 0.284 15 T C -0.389 174.333 174.700 0.036 0.000 0.992 15 T CA -0.305 61.818 62.100 0.038 0.000 0.957 15 T CB 1.656 70.546 68.868 0.036 0.000 0.942 15 T HN 0.337 nan 8.240 nan 0.000 0.439 16 V N 4.074 124.012 119.914 0.040 0.000 2.435 16 V HA 0.551 4.682 4.120 0.018 0.000 0.290 16 V C -0.241 175.886 176.094 0.055 0.000 1.030 16 V CA -0.662 61.660 62.300 0.036 0.000 0.881 16 V CB 1.811 33.660 31.823 0.043 0.000 0.983 16 V HN 0.684 nan 8.190 nan 0.000 0.445 17 V N 6.571 126.501 119.914 0.027 0.000 2.444 17 V HA 0.605 4.736 4.120 0.018 0.000 0.294 17 V C -0.274 175.824 176.094 0.006 0.000 1.022 17 V CA -0.403 61.906 62.300 0.014 0.000 0.850 17 V CB 1.529 33.367 31.823 0.025 0.000 0.992 17 V HN 0.746 nan 8.190 nan 0.000 0.426 18 L N 2.512 123.739 121.223 0.007 0.000 2.397 18 L HA 0.817 5.167 4.340 0.018 0.000 0.251 18 L C -1.321 175.571 176.870 0.037 0.000 1.064 18 L CA -0.985 53.867 54.840 0.019 0.000 0.859 18 L CB 2.619 44.666 42.059 -0.019 0.000 1.468 18 L HN 0.568 nan 8.230 nan 0.000 0.411 19 M N 0.666 120.331 119.600 0.109 0.000 2.457 19 M HA 0.552 5.043 4.480 0.018 0.000 0.300 19 M C -0.609 175.780 176.300 0.149 0.000 1.141 19 M CA -0.445 54.915 55.300 0.100 0.000 0.901 19 M CB 3.029 35.690 32.600 0.101 0.000 1.687 19 M HN 0.550 nan 8.290 nan 0.000 0.449 20 R N 0.933 121.531 120.500 0.163 0.000 2.539 20 R HA 0.149 4.500 4.340 0.018 0.000 0.275 20 R C 1.082 177.561 176.300 0.299 0.000 1.077 20 R CA -0.223 56.044 56.100 0.280 0.000 1.097 20 R CB 0.861 31.326 30.300 0.276 0.000 1.018 20 R HN 0.598 nan 8.270 nan 0.000 0.483 21 K N 1.911 122.549 120.400 0.396 0.000 2.059 21 K HA -0.222 4.108 4.320 0.018 0.000 0.212 21 K C 0.638 177.423 176.600 0.308 0.000 1.050 21 K CA 1.859 58.420 56.287 0.458 0.000 0.927 21 K CB 0.024 32.745 32.500 0.369 0.000 0.714 21 K HN 0.479 nan 8.250 nan 0.000 0.447 22 N N 0.454 119.285 118.700 0.218 0.000 2.535 22 N HA -0.054 4.697 4.740 0.018 0.000 0.203 22 N C 0.438 176.035 175.510 0.145 0.000 1.301 22 N CA 0.379 53.521 53.050 0.154 0.000 0.859 22 N CB 0.709 39.267 38.487 0.120 0.000 1.055 22 N HN 0.080 nan 8.380 nan 0.000 0.457 23 V N -0.457 119.561 119.914 0.173 0.000 3.612 23 V HA 0.154 4.285 4.120 0.018 0.000 0.268 23 V C 1.415 177.604 176.094 0.159 0.000 1.365 23 V CA 0.462 62.846 62.300 0.140 0.000 1.044 23 V CB 0.466 32.358 31.823 0.115 0.000 0.820 23 V HN 0.106 nan 8.190 nan 0.000 0.444 24 L N -1.042 120.313 121.223 0.221 0.000 2.840 24 L HA 0.371 4.722 4.340 0.018 0.000 0.249 24 L C 0.528 177.620 176.870 0.371 0.000 1.119 24 L CA 0.183 55.184 54.840 0.268 0.000 0.930 24 L CB 0.321 42.531 42.059 0.251 0.000 1.295 24 L HN 0.137 nan 8.230 nan 0.000 0.534 25 D N 0.188 120.742 120.400 0.256 0.000 2.390 25 D HA -0.005 4.645 4.640 0.018 0.000 0.249 25 D C 1.200 177.454 176.300 -0.077 0.000 1.144 25 D CA 0.305 54.371 54.000 0.110 0.000 0.880 25 D CB 1.753 42.586 40.800 0.055 0.000 1.182 25 D HN -0.139 nan 8.370 nan 0.000 0.451 26 V N 4.719 124.375 119.914 -0.430 0.000 2.469 26 V HA -0.243 3.887 4.120 0.018 0.000 0.251 26 V C 1.557 177.316 176.094 -0.557 0.000 1.064 26 V CA 1.818 63.504 62.300 -1.023 0.000 1.066 26 V CB -0.509 30.337 31.823 -1.628 0.000 0.667 26 V HN 0.551 nan 8.190 nan 0.000 0.461 27 N N -0.094 118.406 118.700 -0.332 0.000 2.166 27 N HA -0.113 4.638 4.740 0.018 0.000 0.186 27 N C 2.062 177.503 175.510 -0.116 0.000 1.019 27 N CA 1.803 54.739 53.050 -0.190 0.000 0.856 27 N CB -0.365 38.062 38.487 -0.101 0.000 0.993 27 N HN 0.468 nan 8.380 nan 0.000 0.426 28 S N 0.076 115.730 115.700 -0.076 0.000 2.348 28 S HA 0.021 4.502 4.470 0.018 0.000 0.219 28 S C 1.975 176.567 174.600 -0.013 0.000 1.033 28 S CA 0.410 58.600 58.200 -0.016 0.000 0.974 28 S CB -0.070 63.150 63.200 0.033 0.000 0.868 28 S HN 0.061 nan 8.310 nan 0.000 0.459 29 V N 2.471 122.379 119.914 -0.010 0.000 3.140 29 V HA -0.158 3.973 4.120 0.018 0.000 0.269 29 V C 2.139 178.228 176.094 -0.008 0.000 1.149 29 V CA 1.570 63.890 62.300 0.033 0.000 1.162 29 V CB -1.735 30.170 31.823 0.137 0.000 0.756 29 V HN 0.494 nan 8.190 nan 0.000 0.523 30 T N 0.989 115.504 114.554 -0.066 0.000 2.751 30 T HA -0.236 4.124 4.350 0.018 0.000 0.268 30 T C 1.977 176.669 174.700 -0.013 0.000 1.045 30 T CA 2.174 64.238 62.100 -0.060 0.000 1.142 30 T CB -0.220 68.611 68.868 -0.061 0.000 0.851 30 T HN 0.809 nan 8.240 nan 0.000 0.474 31 S N -0.045 115.657 115.700 0.003 0.000 2.441 31 S HA 0.178 4.658 4.470 0.018 0.000 0.224 31 S C 1.160 175.777 174.600 0.029 0.000 1.043 31 S CA -0.221 57.989 58.200 0.016 0.000 0.948 31 S CB -0.157 63.054 63.200 0.018 0.000 0.810 31 S HN 0.276 nan 8.310 nan 0.000 0.504 47 L N 0.242 121.482 121.223 0.027 0.000 5.359 47 L HA -0.242 4.109 4.340 0.018 0.000 0.419 47 L C -0.130 176.769 176.870 0.050 0.000 0.881 47 L CA 2.118 56.980 54.840 0.037 0.000 1.682 47 L CB -1.712 40.370 42.059 0.040 0.000 1.375 47 L HN 0.895 nan 8.230 nan 0.000 0.618 48 D N 1.200 121.632 120.400 0.054 0.000 3.306 48 D HA -0.154 4.497 4.640 0.018 0.000 0.194 48 D C 1.347 177.710 176.300 0.105 0.000 1.231 48 D CA 1.274 55.321 54.000 0.077 0.000 0.840 48 D CB 0.055 40.895 40.800 0.065 0.000 0.851 48 D HN 0.749 nan 8.370 nan 0.000 0.406 49 T N -0.791 113.845 114.554 0.138 0.000 3.057 49 T HA 0.043 4.404 4.350 0.018 0.000 0.254 49 T C 2.126 176.980 174.700 0.257 0.000 1.094 49 T CA -0.228 61.965 62.100 0.155 0.000 1.088 49 T CB 0.110 69.077 68.868 0.165 0.000 0.934 49 T HN 0.380 nan 8.240 nan 0.000 0.497 50 L N 1.403 122.823 121.223 0.328 0.000 2.549 50 L HA -0.030 4.320 4.340 0.018 0.000 0.230 50 L C 2.296 179.450 176.870 0.473 0.000 1.162 50 L CA 0.780 55.950 54.840 0.550 0.000 0.834 50 L CB -1.380 40.915 42.059 0.393 0.000 0.947 50 L HN 0.289 nan 8.230 nan 0.000 0.452 51 T N 0.095 114.801 114.554 0.254 0.000 3.035 51 T HA 0.005 4.366 4.350 0.018 0.000 0.268 51 T C 2.030 176.788 174.700 0.098 0.000 1.109 51 T CA 0.964 63.162 62.100 0.163 0.000 1.119 51 T CB 0.097 69.023 68.868 0.096 0.000 0.900 51 T HN 0.479 nan 8.240 nan 0.000 0.503 52 A N 0.568 123.413 122.820 0.043 0.000 2.066 52 A HA 0.138 4.468 4.320 0.018 0.000 0.218 52 A C 1.484 178.924 177.584 -0.240 0.000 1.157 52 A CA 0.762 52.714 52.037 -0.141 0.000 0.670 52 A CB -0.712 18.122 19.000 -0.276 0.000 0.804 52 A HN 0.528 nan 8.150 nan 0.000 0.453 53 F N -1.071 118.830 119.950 -0.082 0.000 2.797 53 F HA 0.146 4.683 4.527 0.017 0.000 0.302 53 F C 1.422 177.118 175.800 -0.173 0.000 1.130 53 F CA 0.080 57.939 58.000 -0.235 0.000 1.387 53 F CB 0.207 38.828 39.000 -0.631 0.000 1.107 53 F HN 0.095 nan 8.300 nan 0.000 0.577 54 L N -0.658 120.617 121.223 0.087 0.000 2.354 54 L HA 0.255 4.606 4.340 0.018 0.000 0.212 54 L C 2.258 179.159 176.870 0.052 0.000 1.091 54 L CA 0.575 55.464 54.840 0.081 0.000 0.828 54 L CB -1.445 40.674 42.059 0.100 0.000 0.973 54 L HN 0.097 nan 8.230 nan 0.000 0.461 55 G N -0.527 108.288 108.800 0.025 0.000 2.781 55 G HA2 -0.127 3.843 3.960 0.018 0.000 0.157 55 G HA3 -0.127 3.843 3.960 0.018 0.000 0.157 55 G C 0.558 175.449 174.900 -0.014 0.000 1.823 55 G CA -0.116 44.975 45.100 -0.015 0.000 0.932 55 G HN 0.196 nan 8.290 nan 0.000 0.398 56 R N -0.155 120.319 120.500 -0.043 0.000 3.026 56 R HA 0.373 4.723 4.340 0.018 0.000 0.317 56 R C 1.040 177.515 176.300 0.290 0.000 1.278 56 R CA -0.051 56.015 56.100 -0.056 0.000 1.407 56 R CB 0.619 30.633 30.300 -0.475 0.000 1.368 56 R HN 0.352 nan 8.270 nan 0.000 0.612 57 S N -1.152 114.769 115.700 0.369 0.000 2.475 57 S HA 0.136 4.617 4.470 0.018 0.000 0.224 57 S C 0.484 175.388 174.600 0.508 0.000 1.042 57 S CA -0.002 58.425 58.200 0.378 0.000 0.935 57 S CB 0.862 64.122 63.200 0.100 0.000 0.801 57 S HN 0.062 nan 8.310 nan 0.000 0.509 58 V N 2.509 122.666 119.914 0.405 0.000 2.668 58 V HA 0.630 4.760 4.120 0.018 0.000 0.304 58 V C -0.734 175.368 176.094 0.012 0.000 1.071 58 V CA -0.744 61.681 62.300 0.208 0.000 0.894 58 V CB 1.913 33.813 31.823 0.128 0.000 1.008 58 V HN 0.387 nan 8.190 nan 0.000 0.425 59 S N 5.453 121.060 115.700 -0.156 0.000 2.500 59 S HA 0.911 5.392 4.470 0.018 0.000 0.301 59 S C -1.215 173.327 174.600 -0.096 0.000 1.092 59 S CA -0.641 57.310 58.200 -0.415 0.000 1.030 59 S CB 1.875 64.603 63.200 -0.787 0.000 1.031 59 S HN 0.417 nan 8.310 nan 0.000 0.483 60 L N 1.993 123.218 121.223 0.005 0.000 2.333 60 L HA 0.669 5.020 4.340 0.018 0.000 0.269 60 L C -0.285 176.714 176.870 0.215 0.000 1.010 60 L CA -0.213 54.735 54.840 0.180 0.000 0.818 60 L CB 2.052 44.234 42.059 0.205 0.000 1.306 60 L HN 0.923 nan 8.230 nan 0.000 0.430 61 Q N 2.086 122.007 119.800 0.201 0.000 2.350 61 Q HA 0.445 4.795 4.340 0.018 0.000 0.255 61 Q C -1.646 174.356 176.000 0.004 0.000 0.951 61 Q CA -0.767 55.126 55.803 0.151 0.000 0.751 61 Q CB 1.302 30.171 28.738 0.219 0.000 1.296 61 Q HN 0.389 nan 8.270 nan 0.000 0.453 62 L N 3.905 125.043 121.223 -0.142 0.000 2.483 62 L HA 0.288 4.639 4.340 0.018 0.000 0.276 62 L C -0.118 176.696 176.870 -0.094 0.000 1.213 62 L CA 0.818 55.480 54.840 -0.295 0.000 0.843 62 L CB 0.448 42.109 42.059 -0.663 0.000 1.107 62 L HN 0.615 nan 8.230 nan 0.000 0.487 63 I N 1.068 121.519 120.570 -0.199 0.000 2.436 63 I HA 0.218 4.399 4.170 0.018 0.000 0.289 63 I C 0.183 176.272 176.117 -0.047 0.000 1.010 63 I CA -0.509 60.669 61.300 -0.203 0.000 1.098 63 I CB 1.923 39.531 38.000 -0.653 0.000 1.266 63 I HN 0.521 nan 8.210 nan 0.000 0.434 64 S N 3.580 119.363 115.700 0.139 0.000 2.564 64 S HA 0.351 4.831 4.470 0.018 0.000 0.278 64 S C 0.941 175.578 174.600 0.062 0.000 1.333 64 S CA 0.005 58.328 58.200 0.205 0.000 1.048 64 S CB 1.146 64.473 63.200 0.212 0.000 0.900 64 S HN 0.742 nan 8.310 nan 0.000 0.505 65 A N 3.098 125.953 122.820 0.058 0.000 2.220 65 A HA 0.185 4.516 4.320 0.018 0.000 0.211 65 A C 1.684 179.282 177.584 0.024 0.000 1.176 65 A CA 0.829 52.881 52.037 0.025 0.000 0.834 65 A CB -0.197 18.816 19.000 0.021 0.000 0.868 65 A HN 0.903 nan 8.150 nan 0.000 0.488 66 T N -4.582 109.997 114.554 0.042 0.000 2.958 66 T HA 0.290 4.651 4.350 0.018 0.000 0.256 66 T C 0.308 175.025 174.700 0.027 0.000 0.983 66 T CA -0.027 62.089 62.100 0.026 0.000 0.924 66 T CB 0.140 69.020 68.868 0.020 0.000 1.136 66 T HN 0.014 nan 8.240 nan 0.000 0.506 67 K N 2.692 123.115 120.400 0.039 0.000 2.347 67 K HA 0.769 5.100 4.320 0.018 0.000 0.262 67 K C -0.591 176.028 176.600 0.032 0.000 1.052 67 K CA -0.505 55.793 56.287 0.019 0.000 0.946 67 K CB 0.867 33.360 32.500 -0.012 0.000 1.220 67 K HN 0.423 nan 8.250 nan 0.000 0.450 68 A N 3.689 126.528 122.820 0.030 0.000 2.328 68 A HA 0.256 4.587 4.320 0.018 0.000 0.284 68 A C 0.311 177.913 177.584 0.029 0.000 1.160 68 A CA -0.583 51.480 52.037 0.042 0.000 0.818 68 A CB 0.072 19.091 19.000 0.033 0.000 1.087 68 A HN 0.829 nan 8.150 nan 0.000 0.504 69 D N 2.834 123.259 120.400 0.041 0.000 2.249 69 D HA 0.234 4.885 4.640 0.018 0.000 0.269 69 D C 1.531 177.841 176.300 0.016 0.000 1.220 69 D CA 0.349 54.365 54.000 0.027 0.000 1.016 69 D CB -0.258 40.568 40.800 0.043 0.000 1.133 69 D HN 0.497 nan 8.370 nan 0.000 0.533 70 A N -0.064 122.764 122.820 0.012 0.000 1.883 70 A HA -0.263 4.067 4.320 0.018 0.000 0.222 70 A C 1.289 178.874 177.584 0.002 0.000 1.339 70 A CA 2.241 54.281 52.037 0.005 0.000 0.692 70 A CB -0.889 18.114 19.000 0.004 0.000 0.845 70 A HN 0.681 nan 8.150 nan 0.000 0.467 71 N N -1.613 117.086 118.700 -0.001 0.000 2.491 71 N HA 0.421 5.172 4.740 0.018 0.000 0.274 71 N C 0.845 176.349 175.510 -0.010 0.000 1.023 71 N CA 0.934 53.980 53.050 -0.007 0.000 0.902 71 N CB 1.244 39.723 38.487 -0.014 0.000 1.267 71 N HN 0.754 nan 8.380 nan 0.000 0.503 72 G N 3.793 112.593 108.800 -0.002 0.000 4.728 72 G HA2 -0.373 3.598 3.960 0.018 0.000 0.233 72 G HA3 -0.373 3.598 3.960 0.018 0.000 0.233 72 G C 0.124 175.038 174.900 0.024 0.000 1.486 72 G CA 0.539 45.641 45.100 0.003 0.000 1.349 72 G HN 0.624 nan 8.290 nan 0.000 0.779 73 K N 2.706 123.100 120.400 -0.010 0.000 2.477 73 K HA 0.226 4.557 4.320 0.018 0.000 0.275 73 K C 1.354 178.062 176.600 0.179 0.000 1.054 73 K CA 0.394 56.682 56.287 0.001 0.000 1.135 73 K CB -0.134 32.279 32.500 -0.144 0.000 0.854 73 K HN 0.673 nan 8.250 nan 0.000 0.484 74 G N 2.850 111.905 108.800 0.425 0.000 2.720 74 G HA2 -0.119 3.852 3.960 0.018 0.000 0.237 74 G HA3 -0.119 3.852 3.960 0.018 0.000 0.237 74 G C -0.260 174.776 174.900 0.227 0.000 1.239 74 G CA -0.344 44.929 45.100 0.289 0.000 0.847 74 G HN 0.588 nan 8.290 nan 0.000 0.593 75 K N 0.192 120.667 120.400 0.124 0.000 2.227 75 K HA 0.409 4.739 4.320 0.018 0.000 0.280 75 K C -0.221 176.444 176.600 0.108 0.000 1.041 75 K CA -0.703 55.637 56.287 0.088 0.000 0.905 75 K CB 0.478 32.983 32.500 0.009 0.000 1.068 75 K HN 0.166 nan 8.250 nan 0.000 0.470 76 L N 2.836 124.132 121.223 0.121 0.000 2.439 76 L HA 0.450 4.801 4.340 0.018 0.000 0.261 76 L C 1.053 178.023 176.870 0.166 0.000 1.153 76 L CA 0.215 55.143 54.840 0.147 0.000 0.808 76 L CB 1.198 43.361 42.059 0.174 0.000 1.126 76 L HN 0.841 nan 8.230 nan 0.000 0.460 77 G N 0.062 109.026 108.800 0.273 0.000 2.642 77 G HA2 0.427 4.398 3.960 0.018 0.000 0.291 77 G HA3 0.427 4.398 3.960 0.018 0.000 0.291 77 G C -0.608 174.435 174.900 0.240 0.000 1.345 77 G CA -0.739 44.558 45.100 0.328 0.000 1.043 77 G HN 0.346 nan 8.290 nan 0.000 0.528 78 K N -0.066 120.482 120.400 0.246 0.000 2.202 78 K HA 0.417 4.748 4.320 0.018 0.000 0.264 78 K C 0.288 177.026 176.600 0.230 0.000 1.010 78 K CA -0.230 56.181 56.287 0.206 0.000 0.940 78 K CB 1.369 33.981 32.500 0.185 0.000 0.983 78 K HN 0.496 nan 8.250 nan 0.000 0.475 79 A N 2.427 125.366 122.820 0.198 0.000 2.396 79 A HA 0.246 4.577 4.320 0.018 0.000 0.279 79 A C -0.173 177.510 177.584 0.165 0.000 1.165 79 A CA -0.066 52.066 52.037 0.159 0.000 0.824 79 A CB -0.292 18.792 19.000 0.141 0.000 1.100 79 A HN 0.562 nan 8.150 nan 0.000 0.516 80 T N 3.015 117.636 114.554 0.111 0.000 2.797 80 T HA 0.592 4.953 4.350 0.018 0.000 0.279 80 T C -0.458 174.207 174.700 -0.058 0.000 0.991 80 T CA -0.104 62.040 62.100 0.074 0.000 0.979 80 T CB 0.548 69.370 68.868 -0.076 0.000 0.943 80 T HN 0.335 nan 8.240 nan 0.000 0.444 81 F N 1.317 121.271 119.950 0.007 0.000 2.408 81 F HA 0.523 5.060 4.527 0.017 0.000 0.325 81 F C 0.279 176.048 175.800 -0.051 0.000 1.082 81 F CA -1.553 56.459 58.000 0.020 0.000 1.032 81 F CB 0.495 39.518 39.000 0.038 0.000 1.259 81 F HN 0.230 nan 8.300 nan 0.000 0.503 82 L N 1.955 123.250 121.223 0.120 0.000 2.410 82 L HA 0.237 4.588 4.340 0.018 0.000 0.273 82 L C -0.196 176.709 176.870 0.059 0.000 1.152 82 L CA 0.106 54.956 54.840 0.016 0.000 0.855 82 L CB -0.023 41.979 42.059 -0.095 0.000 1.129 82 L HN 0.442 nan 8.230 nan 0.000 0.463 83 E N 2.873 123.099 120.200 0.044 0.000 2.373 83 E HA 0.606 4.967 4.350 0.018 0.000 0.251 83 E C -0.543 176.100 176.600 0.072 0.000 0.923 83 E CA -0.257 56.177 56.400 0.056 0.000 0.798 83 E CB 0.974 30.688 29.700 0.023 0.000 1.303 83 E HN 0.690 nan 8.360 nan 0.000 0.412 84 G N 3.879 112.752 108.800 0.122 0.000 3.069 84 G HA2 -0.073 3.897 3.960 0.018 0.000 0.686 84 G HA3 -0.073 3.897 3.960 0.018 0.000 0.686 84 G C -0.641 174.345 174.900 0.143 0.000 1.161 84 G CA -0.498 44.665 45.100 0.105 0.000 0.804 84 G HN 0.435 nan 8.290 nan 0.000 0.608 85 I N 1.872 122.473 120.570 0.051 0.000 2.385 85 I HA 0.518 4.699 4.170 0.018 0.000 0.294 85 I C 0.735 176.753 176.117 -0.164 0.000 0.988 85 I CA -0.909 60.299 61.300 -0.154 0.000 1.265 85 I CB 1.604 39.516 38.000 -0.146 0.000 1.388 85 I HN 0.368 nan 8.210 nan 0.000 0.480 86 I N 5.024 125.441 120.570 -0.256 0.000 2.337 86 I HA 0.109 4.290 4.170 0.018 0.000 0.285 86 I C 1.312 177.321 176.117 -0.180 0.000 1.041 86 I CA -0.258 60.944 61.300 -0.163 0.000 1.199 86 I CB 1.322 39.240 38.000 -0.136 0.000 1.370 86 I HN 0.755 nan 8.210 nan 0.000 0.470 87 T N 0.680 115.158 114.554 -0.127 0.000 2.897 87 T HA -0.101 4.260 4.350 0.018 0.000 0.271 87 T C 0.802 175.446 174.700 -0.092 0.000 1.084 87 T CA 0.652 62.687 62.100 -0.108 0.000 1.123 87 T CB 0.002 68.829 68.868 -0.069 0.000 0.865 87 T HN 0.498 nan 8.240 nan 0.000 0.496 88 S N -0.320 115.331 115.700 -0.082 0.000 2.542 88 S HA 0.601 5.082 4.470 0.018 0.000 0.276 88 S C -2.178 172.389 174.600 -0.056 0.000 1.148 88 S CA -0.981 57.180 58.200 -0.064 0.000 0.886 88 S CB 1.101 64.273 63.200 -0.045 0.000 1.109 88 S HN 0.173 nan 8.310 nan 0.000 0.458 89 L N 4.824 126.018 121.223 -0.048 0.000 2.422 89 L HA 0.557 4.907 4.340 0.018 0.000 0.264 89 L C -1.559 175.294 176.870 -0.028 0.000 0.984 89 L CA -1.711 53.106 54.840 -0.038 0.000 0.819 89 L CB 1.508 43.543 42.059 -0.040 0.000 1.330 89 L HN 0.504 nan 8.230 nan 0.000 0.410 90 P HA -0.100 nan 4.420 nan 0.000 0.221 90 P C 0.954 178.245 177.300 -0.014 0.000 1.145 90 P CA 1.030 64.119 63.100 -0.018 0.000 0.795 90 P CB 0.467 32.157 31.700 -0.017 0.000 0.775 91 T N -1.705 112.839 114.554 -0.016 0.000 3.174 91 T HA 0.191 4.551 4.350 0.018 0.000 0.269 91 T C 1.085 175.783 174.700 -0.003 0.000 1.017 91 T CA -0.429 61.666 62.100 -0.008 0.000 0.899 91 T CB -0.537 68.323 68.868 -0.013 0.000 1.077 91 T HN -0.167 nan 8.240 nan 0.000 0.552 92 L N 1.087 122.303 121.223 -0.011 0.000 1.902 92 L HA 0.351 4.702 4.340 0.018 0.000 0.244 92 L C 1.386 178.258 176.870 0.003 0.000 1.047 92 L CA 1.759 56.592 54.840 -0.013 0.000 1.218 92 L CB -0.645 41.395 42.059 -0.031 0.000 1.076 92 L HN 0.590 nan 8.230 nan 0.000 0.558 93 G N -2.599 106.201 108.800 0.000 0.000 2.356 93 G HA2 0.343 4.313 3.960 0.018 0.000 0.300 93 G HA3 0.343 4.313 3.960 0.018 0.000 0.300 93 G C -1.552 173.355 174.900 0.011 0.000 1.331 93 G CA -0.319 44.788 45.100 0.013 0.000 0.905 93 G HN 0.716 nan 8.290 nan 0.000 0.587 94 A N -0.683 122.149 122.820 0.020 0.000 2.401 94 A HA 0.693 5.024 4.320 0.018 0.000 0.259 94 A C 1.757 179.356 177.584 0.025 0.000 1.103 94 A CA 1.475 53.525 52.037 0.022 0.000 0.789 94 A CB 0.193 19.210 19.000 0.028 0.000 1.035 94 A HN 2.892 nan 8.150 nan 0.000 0.491 95 G N 1.078 109.893 108.800 0.025 0.000 2.196 95 G HA2 -0.267 3.703 3.960 0.018 0.000 0.268 95 G HA3 -0.267 3.703 3.960 0.018 0.000 0.268 95 G C 0.299 175.215 174.900 0.026 0.000 0.975 95 G CA 0.980 46.100 45.100 0.033 0.000 0.648 95 G HN 0.936 nan 8.290 nan 0.000 0.538 96 Q N -0.027 119.780 119.800 0.011 0.000 2.260 96 Q HA 0.656 5.007 4.340 0.018 0.000 0.242 96 Q C -0.390 175.578 176.000 -0.053 0.000 0.932 96 Q CA -0.038 55.764 55.803 -0.002 0.000 0.891 96 Q CB 1.494 30.235 28.738 0.005 0.000 1.222 96 Q HN 0.206 nan 8.270 nan 0.000 0.453 97 S N 0.286 115.932 115.700 -0.089 0.000 2.571 97 S HA 0.683 5.163 4.470 0.018 0.000 0.284 97 S C -1.355 173.051 174.600 -0.323 0.000 1.128 97 S CA -0.707 57.358 58.200 -0.226 0.000 0.970 97 S CB 1.751 64.835 63.200 -0.193 0.000 1.039 97 S HN 0.663 nan 8.310 nan 0.000 0.485 98 A N 2.520 125.024 122.820 -0.527 0.000 2.340 98 A HA 0.951 5.281 4.320 0.018 0.000 0.331 98 A C -1.337 175.720 177.584 -0.879 0.000 1.140 98 A CA -0.473 51.291 52.037 -0.456 0.000 0.801 98 A CB 0.500 19.353 19.000 -0.246 0.000 1.234 98 A HN 0.635 nan 8.150 nan 0.000 0.469 99 F N 0.537 120.416 119.950 -0.117 0.000 2.591 99 F HA 0.440 4.978 4.527 0.017 0.000 0.309 99 F C 0.264 176.012 175.800 -0.087 0.000 1.098 99 F CA -0.653 57.282 58.000 -0.108 0.000 0.937 99 F CB 2.365 41.280 39.000 -0.142 0.000 1.250 99 F HN 0.620 nan 8.300 nan 0.000 0.447 100 K N 2.768 123.223 120.400 0.092 0.000 2.110 100 K HA 0.851 5.181 4.320 0.018 0.000 0.263 100 K C -1.126 175.457 176.600 -0.027 0.000 0.975 100 K CA -0.775 55.521 56.287 0.015 0.000 0.895 100 K CB 2.901 35.397 32.500 -0.006 0.000 1.060 100 K HN 0.797 nan 8.250 nan 0.000 0.448 101 I N 1.589 122.083 120.570 -0.126 0.000 2.654 101 I HA 0.162 4.343 4.170 0.018 0.000 0.282 101 I C -2.069 173.740 176.117 -0.514 0.000 1.258 101 I CA -0.601 60.510 61.300 -0.315 0.000 1.088 101 I CB 1.446 39.201 38.000 -0.408 0.000 1.316 101 I HN 0.694 nan 8.210 nan 0.000 0.448 102 N N 7.162 125.642 118.700 -0.367 0.000 2.499 102 N HA 0.554 5.304 4.740 0.018 0.000 0.281 102 N C -1.483 173.813 175.510 -0.356 0.000 1.098 102 N CA 0.026 52.927 53.050 -0.249 0.000 0.979 102 N CB 0.887 39.330 38.487 -0.073 0.000 1.121 102 N HN 0.310 nan 8.380 nan 0.000 0.466 103 F N 0.086 120.055 119.950 0.032 0.000 2.443 103 F HA 0.305 4.842 4.527 0.017 0.000 0.335 103 F C 0.875 176.770 175.800 0.159 0.000 1.104 103 F CA -0.931 57.110 58.000 0.068 0.000 1.013 103 F CB 1.169 40.167 39.000 -0.004 0.000 1.136 103 F HN 0.301 nan 8.300 nan 0.000 0.470 104 E N 3.396 123.811 120.200 0.358 0.000 2.217 104 E HA 0.059 4.419 4.350 0.018 0.000 0.279 104 E C -0.954 175.928 176.600 0.469 0.000 1.068 104 E CA 0.048 56.637 56.400 0.315 0.000 0.882 104 E CB 0.804 30.628 29.700 0.207 0.000 1.039 104 E HN 0.528 nan 8.360 nan 0.000 0.418 105 W N 2.444 123.829 121.300 0.142 0.000 3.060 105 W HA 0.289 4.960 4.660 0.018 0.000 0.346 105 W C -1.344 175.238 176.519 0.104 0.000 1.194 105 W CA -0.599 56.807 57.345 0.101 0.000 1.105 105 W CB 2.078 31.586 29.460 0.080 0.000 1.487 105 W HN 0.601 nan 8.180 nan 0.000 0.592 106 D N -0.517 119.888 120.400 0.007 0.000 2.683 106 D HA 0.080 4.731 4.640 0.018 0.000 0.246 106 D C -1.597 174.672 176.300 -0.052 0.000 1.238 106 D CA -0.662 53.351 54.000 0.022 0.000 0.759 106 D CB 1.013 41.796 40.800 -0.029 0.000 1.349 106 D HN -0.001 nan 8.370 nan 0.000 0.426 107 D N 0.260 120.667 120.400 0.012 0.000 2.472 107 D HA 0.387 5.037 4.640 0.018 0.000 0.248 107 D C 1.219 177.487 176.300 -0.053 0.000 1.174 107 D CA 1.937 55.936 54.000 -0.002 0.000 0.883 107 D CB 1.162 41.972 40.800 0.017 0.000 1.149 107 D HN 0.813 nan 8.370 nan 0.000 0.488 108 G N 1.872 110.630 108.800 -0.069 0.000 2.428 108 G HA2 -0.255 3.716 3.960 0.018 0.000 0.199 108 G HA3 -0.255 3.716 3.960 0.018 0.000 0.199 108 G C 1.117 175.921 174.900 -0.160 0.000 1.005 108 G CA 0.003 45.048 45.100 -0.092 0.000 0.671 108 G HN 0.453 nan 8.290 nan 0.000 0.485 109 S N 1.293 116.809 115.700 -0.307 0.000 2.701 109 S HA 0.462 4.943 4.470 0.018 0.000 0.220 109 S C 1.598 176.075 174.600 -0.205 0.000 0.954 109 S CA 1.551 59.415 58.200 -0.560 0.000 0.936 109 S CB -0.684 61.651 63.200 -1.441 0.000 0.777 109 S HN 2.136 nan 8.310 nan 0.000 0.518 110 G N 1.180 109.985 108.800 0.009 0.000 2.641 110 G HA2 -0.269 3.702 3.960 0.018 0.000 0.254 110 G HA3 -0.269 3.702 3.960 0.018 0.000 0.254 110 G C -0.431 174.680 174.900 0.352 0.000 1.315 110 G CA -0.183 45.004 45.100 0.145 0.000 0.907 110 G HN 0.435 nan 8.290 nan 0.000 0.572 111 I N 2.177 122.851 120.570 0.174 0.000 2.377 111 I HA 0.389 4.570 4.170 0.018 0.000 0.293 111 I C -2.017 174.098 176.117 -0.004 0.000 0.987 111 I CA -2.209 59.102 61.300 0.018 0.000 1.185 111 I CB 2.351 40.228 38.000 -0.204 0.000 1.341 111 I HN 0.223 nan 8.210 nan 0.000 0.455 112 P HA 0.097 nan 4.420 nan 0.000 0.267 112 P C 0.436 177.705 177.300 -0.051 0.000 1.205 112 P CA 0.107 63.056 63.100 -0.252 0.000 0.765 112 P CB 0.788 32.170 31.700 -0.529 0.000 0.828 113 G N 1.250 110.052 108.800 0.003 0.000 2.945 113 G HA2 0.525 4.496 3.960 0.018 0.000 0.225 113 G HA3 0.525 4.496 3.960 0.018 0.000 0.225 113 G C 0.103 175.092 174.900 0.149 0.000 1.046 113 G CA 0.593 45.734 45.100 0.069 0.000 0.842 113 G HN 0.759 nan 8.290 nan 0.000 0.543 114 A N -0.497 122.345 122.820 0.036 0.000 2.524 114 A HA 0.896 5.227 4.320 0.018 0.000 0.303 114 A C -1.648 175.806 177.584 -0.216 0.000 1.195 114 A CA -0.507 51.434 52.037 -0.161 0.000 0.651 114 A CB 0.854 19.373 19.000 -0.803 0.000 1.323 114 A HN 1.265 nan 8.150 nan 0.000 0.479 115 F N -2.968 116.612 119.950 -0.617 0.000 2.769 115 F HA 0.725 5.262 4.527 0.017 0.000 0.313 115 F C -2.389 173.135 175.800 -0.460 0.000 1.146 115 F CA -1.169 56.484 58.000 -0.579 0.000 0.934 115 F CB 0.487 39.132 39.000 -0.591 0.000 1.283 115 F HN 0.545 nan 8.300 nan 0.000 0.443 116 Y N 2.839 123.092 120.300 -0.078 0.000 2.420 116 Y HA 0.758 5.319 4.550 0.017 0.000 0.334 116 Y C -0.348 175.590 175.900 0.064 0.000 1.094 116 Y CA -1.770 56.240 58.100 -0.151 0.000 1.126 116 Y CB 1.934 40.343 38.460 -0.086 0.000 1.217 116 Y HN 0.841 nan 8.280 nan 0.000 0.462 117 I N 2.660 123.328 120.570 0.162 0.000 2.608 117 I HA 0.486 4.666 4.170 0.018 0.000 0.295 117 I C -1.488 174.622 176.117 -0.011 0.000 1.049 117 I CA -0.751 60.654 61.300 0.175 0.000 1.063 117 I CB 1.392 39.579 38.000 0.312 0.000 1.248 117 I HN 0.535 nan 8.210 nan 0.000 0.424 118 K N 5.119 125.462 120.400 -0.096 0.000 2.463 118 K HA 0.335 4.666 4.320 0.018 0.000 0.255 118 K C -1.211 175.103 176.600 -0.477 0.000 0.942 118 K CA -0.834 55.244 56.287 -0.349 0.000 0.814 118 K CB 1.601 33.812 32.500 -0.482 0.000 1.122 118 K HN 0.428 nan 8.250 nan 0.000 0.425 119 N N 2.652 121.131 118.700 -0.368 0.000 2.425 119 N HA 0.246 4.997 4.740 0.018 0.000 0.268 119 N C -0.709 174.625 175.510 -0.293 0.000 0.991 119 N CA -0.501 52.457 53.050 -0.153 0.000 0.931 119 N CB 0.441 38.950 38.487 0.036 0.000 1.130 119 N HN 0.401 nan 8.380 nan 0.000 0.493 120 F N 1.792 121.832 119.950 0.150 0.000 2.678 120 F HA 0.298 4.836 4.527 0.018 0.000 0.305 120 F C 1.789 177.630 175.800 0.068 0.000 1.090 120 F CA -0.083 57.979 58.000 0.102 0.000 1.272 120 F CB 0.046 39.115 39.000 0.116 0.000 1.060 120 F HN 0.434 nan 8.300 nan 0.000 0.576 121 M N -0.539 119.179 119.600 0.196 0.000 2.549 121 M HA -0.180 4.311 4.480 0.018 0.000 0.260 121 M C 1.251 177.590 176.300 0.065 0.000 1.076 121 M CA 1.353 56.707 55.300 0.090 0.000 1.090 121 M CB -0.325 32.294 32.600 0.031 0.000 1.418 121 M HN 0.393 nan 8.290 nan 0.000 0.486 122 Q N -1.456 118.393 119.800 0.082 0.000 3.582 122 Q HA -0.180 4.170 4.340 0.018 0.000 0.212 122 Q C -0.047 175.987 176.000 0.057 0.000 2.682 122 Q CA 1.821 57.658 55.803 0.056 0.000 0.372 122 Q CB -1.177 27.584 28.738 0.039 0.000 0.312 122 Q HN 0.421 nan 8.270 nan 0.000 0.562 123 T N 2.412 117.002 114.554 0.060 0.000 2.806 123 T HA 0.250 4.611 4.350 0.018 0.000 0.290 123 T C -0.145 174.621 174.700 0.110 0.000 0.966 123 T CA -0.411 61.733 62.100 0.073 0.000 1.060 123 T CB 1.174 70.091 68.868 0.081 0.000 0.927 123 T HN 0.216 nan 8.240 nan 0.000 0.485 124 E N 3.475 123.682 120.200 0.012 0.000 2.374 124 E HA 0.363 4.723 4.350 0.018 0.000 0.260 124 E C -0.795 175.984 176.600 0.298 0.000 1.101 124 E CA -0.532 55.836 56.400 -0.053 0.000 0.907 124 E CB 0.745 30.028 29.700 -0.695 0.000 1.014 124 E HN 0.533 nan 8.360 nan 0.000 0.427 125 F N -0.709 119.385 119.950 0.240 0.000 2.613 125 F HA 0.614 5.151 4.527 0.017 0.000 0.314 125 F C -1.539 174.274 175.800 0.021 0.000 1.075 125 F CA -1.913 56.225 58.000 0.230 0.000 0.945 125 F CB 1.065 40.210 39.000 0.242 0.000 1.310 125 F HN 0.305 nan 8.300 nan 0.000 0.467 126 F N 4.142 123.925 119.950 -0.278 0.000 2.371 126 F HA 0.578 5.117 4.527 0.020 0.000 0.363 126 F C -0.881 174.808 175.800 -0.186 0.000 1.122 126 F CA -1.013 56.551 58.000 -0.727 0.000 1.129 126 F CB 0.962 39.209 39.000 -1.256 0.000 1.173 126 F HN 0.639 nan 8.300 nan 0.000 0.489 127 L N 7.535 128.404 121.223 -0.590 0.000 2.290 127 L HA 0.317 4.668 4.340 0.018 0.000 0.284 127 L C -0.057 176.412 176.870 -0.668 0.000 1.078 127 L CA 0.146 54.779 54.840 -0.345 0.000 0.815 127 L CB 1.242 43.142 42.059 -0.266 0.000 1.162 127 L HN 0.654 nan 8.230 nan 0.000 0.435 128 V N 2.806 122.526 119.914 -0.323 0.000 2.436 128 V HA 0.237 4.368 4.120 0.018 0.000 0.240 128 V C 0.786 176.773 176.094 -0.177 0.000 1.040 128 V CA 1.216 63.384 62.300 -0.221 0.000 1.052 128 V CB 0.012 31.846 31.823 0.018 0.000 0.707 128 V HN 0.942 nan 8.190 nan 0.000 0.469 129 S N -0.991 114.643 115.700 -0.111 0.000 2.636 129 S HA 0.691 5.171 4.470 0.018 0.000 0.268 129 S C -1.646 172.922 174.600 -0.054 0.000 1.159 129 S CA -0.658 57.482 58.200 -0.099 0.000 0.815 129 S CB 2.228 65.404 63.200 -0.040 0.000 1.130 129 S HN 0.247 nan 8.310 nan 0.000 0.471 130 L N 0.721 121.914 121.223 -0.049 0.000 2.470 130 L HA 0.790 5.141 4.340 0.018 0.000 0.268 130 L C -1.121 175.860 176.870 0.185 0.000 0.964 130 L CA 0.284 55.099 54.840 -0.041 0.000 0.839 130 L CB 2.049 43.864 42.059 -0.408 0.000 1.276 130 L HN 0.968 nan 8.230 nan 0.000 0.403 131 T N 5.643 120.324 114.554 0.212 0.000 2.856 131 T HA 0.685 5.046 4.350 0.018 0.000 0.283 131 T C -0.800 174.001 174.700 0.169 0.000 1.008 131 T CA -0.406 61.874 62.100 0.300 0.000 0.997 131 T CB 1.381 70.393 68.868 0.241 0.000 0.992 131 T HN 0.471 nan 8.240 nan 0.000 0.454 132 L N 2.901 124.221 121.223 0.161 0.000 2.372 132 L HA 0.397 4.747 4.340 0.018 0.000 0.274 132 L C -0.033 176.881 176.870 0.073 0.000 0.988 132 L CA -0.912 53.985 54.840 0.095 0.000 0.833 132 L CB 1.667 43.757 42.059 0.052 0.000 1.236 132 L HN 0.553 nan 8.230 nan 0.000 0.410 133 E N 2.543 122.787 120.200 0.073 0.000 1.802 133 E HA 0.075 4.435 4.350 0.018 0.000 0.265 133 E C -0.123 176.517 176.600 0.068 0.000 1.168 133 E CA -0.233 56.207 56.400 0.067 0.000 1.033 133 E CB 0.363 30.106 29.700 0.072 0.000 1.095 133 E HN 0.457 nan 8.360 nan 0.000 0.436 134 D N 1.848 122.273 120.400 0.041 0.000 1.794 134 D HA -0.134 4.517 4.640 0.018 0.000 0.228 134 D C 1.127 177.381 176.300 -0.077 0.000 1.264 134 D CA 0.535 54.530 54.000 -0.008 0.000 0.947 134 D CB 0.526 41.354 40.800 0.046 0.000 1.734 134 D HN 0.451 nan 8.370 nan 0.000 0.567 135 I N -2.304 118.163 120.570 -0.172 0.000 3.680 135 I HA 0.217 4.397 4.170 0.018 0.000 0.261 135 I C -1.757 174.261 176.117 -0.164 0.000 1.121 135 I CA -0.447 60.602 61.300 -0.417 0.000 1.429 135 I CB -0.521 36.980 38.000 -0.831 0.000 1.719 135 I HN 0.201 nan 8.210 nan 0.000 0.413 136 P HA 0.144 nan 4.420 nan 0.000 0.277 136 P C -0.661 176.669 177.300 0.049 0.000 1.276 136 P CA -0.160 62.938 63.100 -0.003 0.000 0.788 136 P CB -0.019 31.688 31.700 0.012 0.000 1.114 137 N N 1.184 119.920 118.700 0.059 0.000 2.360 137 N HA -0.068 4.683 4.740 0.018 0.000 0.292 137 N C -0.668 174.928 175.510 0.143 0.000 1.330 137 N CA 1.014 54.105 53.050 0.070 0.000 1.009 137 N CB -1.046 37.471 38.487 0.051 0.000 1.419 137 N HN 0.339 nan 8.380 nan 0.000 0.487 138 H N 0.268 119.327 119.070 -0.018 0.000 3.112 138 H HA 0.318 4.884 4.556 0.018 0.000 0.347 138 H C -0.174 175.139 175.328 -0.026 0.000 1.188 138 H CA -0.667 55.368 56.048 -0.022 0.000 1.240 138 H CB 1.050 30.797 29.762 -0.026 0.000 1.920 138 H HN 0.512 nan 8.280 nan 0.000 0.535 139 G N 1.419 110.064 108.800 -0.258 0.000 2.580 139 G HA2 0.255 4.226 3.960 0.018 0.000 0.278 139 G HA3 0.255 4.226 3.960 0.018 0.000 0.278 139 G C -0.372 174.495 174.900 -0.057 0.000 1.212 139 G CA -0.439 44.580 45.100 -0.137 0.000 0.939 139 G HN 0.515 nan 8.290 nan 0.000 0.513 140 S N -0.999 114.684 115.700 -0.028 0.000 2.554 140 S HA 0.057 4.537 4.470 0.018 0.000 0.290 140 S C 0.252 174.861 174.600 0.016 0.000 1.309 140 S CA 0.338 58.546 58.200 0.012 0.000 1.047 140 S CB 0.158 63.355 63.200 -0.004 0.000 0.828 140 S HN 0.338 nan 8.310 nan 0.000 0.509 141 I N 2.537 123.143 120.570 0.060 0.000 2.378 141 I HA 0.310 4.490 4.170 0.018 0.000 0.291 141 I C -0.155 175.989 176.117 0.044 0.000 0.992 141 I CA -0.554 60.753 61.300 0.010 0.000 1.154 141 I CB 1.317 39.316 38.000 -0.002 0.000 1.315 141 I HN 0.567 nan 8.210 nan 0.000 0.448 142 H N 5.720 124.680 119.070 -0.185 0.000 2.499 142 H HA 0.606 5.172 4.556 0.017 0.000 0.340 142 H C -1.605 173.566 175.328 -0.261 0.000 1.148 142 H CA -0.727 55.262 56.048 -0.099 0.000 1.215 142 H CB 1.255 30.988 29.762 -0.049 0.000 1.529 142 H HN 0.262 nan 8.280 nan 0.000 0.510 143 F N 3.248 122.919 119.950 -0.465 0.000 2.499 143 F HA 0.353 4.891 4.527 0.017 0.000 0.333 143 F C -0.653 174.857 175.800 -0.482 0.000 1.138 143 F CA -0.842 56.991 58.000 -0.279 0.000 0.945 143 F CB 1.506 40.489 39.000 -0.029 0.000 1.181 143 F HN 0.189 nan 8.300 nan 0.000 0.435 144 V N 3.475 123.311 119.914 -0.131 0.000 2.350 144 V HA 0.147 4.278 4.120 0.018 0.000 0.276 144 V C 0.106 176.158 176.094 -0.070 0.000 1.028 144 V CA -0.207 62.035 62.300 -0.096 0.000 0.860 144 V CB 0.818 32.667 31.823 0.044 0.000 0.990 144 V HN 1.090 nan 8.190 nan 0.000 0.453 145 C N 2.462 121.643 119.300 -0.198 0.000 2.664 145 C HA 0.159 4.630 4.460 0.018 0.000 0.285 145 C C 1.267 176.052 174.990 -0.341 0.000 1.386 145 C CA -0.327 58.442 59.018 -0.414 0.000 1.753 145 C CB -0.584 26.664 27.740 -0.820 0.000 2.115 145 C HN 0.950 nan 8.230 nan 0.000 0.577 146 N N 1.377 119.807 118.700 -0.451 0.000 2.696 146 N HA -0.149 4.602 4.740 0.018 0.000 0.256 146 N C -0.514 174.658 175.510 -0.563 0.000 1.031 146 N CA 1.148 53.907 53.050 -0.485 0.000 0.730 146 N CB -0.912 37.635 38.487 0.099 0.000 0.894 146 N HN 0.604 nan 8.380 nan 0.000 0.544 147 S N -1.060 114.076 115.700 -0.940 0.000 2.564 147 S HA 0.631 5.112 4.470 0.018 0.000 0.274 147 S C -1.172 173.148 174.600 -0.467 0.000 1.124 147 S CA -0.732 57.242 58.200 -0.376 0.000 0.869 147 S CB 0.931 64.149 63.200 0.031 0.000 1.105 147 S HN 0.296 nan 8.310 nan 0.000 0.472 148 W N 3.422 124.742 121.300 0.033 0.000 2.338 148 W HA 0.504 5.174 4.660 0.016 0.000 0.307 148 W C -0.288 176.228 176.519 -0.004 0.000 1.167 148 W CA -0.643 56.744 57.345 0.071 0.000 1.208 148 W CB 0.768 30.387 29.460 0.265 0.000 1.228 148 W HN 0.327 nan 8.180 nan 0.000 0.499 149 I N 5.475 125.992 120.570 -0.088 0.000 2.330 149 I HA 0.173 4.354 4.170 0.018 0.000 0.286 149 I C -0.377 175.669 176.117 -0.118 0.000 1.025 149 I CA -1.641 59.529 61.300 -0.216 0.000 1.197 149 I CB -0.735 36.846 38.000 -0.698 0.000 1.358 149 I HN 0.349 nan 8.210 nan 0.000 0.467 150 Y N 3.749 124.143 120.300 0.157 0.000 2.289 150 Y HA 0.163 4.723 4.550 0.017 0.000 0.332 150 Y C 1.485 177.502 175.900 0.194 0.000 1.324 150 Y CA -0.027 58.214 58.100 0.235 0.000 1.478 150 Y CB 0.444 39.124 38.460 0.366 0.000 1.378 150 Y HN 0.501 nan 8.280 nan 0.000 0.558 151 N N 0.902 119.733 118.700 0.219 0.000 2.357 151 N HA -0.102 4.649 4.740 0.018 0.000 0.257 151 N C 0.691 176.255 175.510 0.090 0.000 1.250 151 N CA 0.529 53.628 53.050 0.083 0.000 0.862 151 N CB 0.907 39.398 38.487 0.008 0.000 1.066 151 N HN 0.885 nan 8.380 nan 0.000 0.468 152 A N 4.715 127.550 122.820 0.026 0.000 2.084 152 A HA -0.194 4.136 4.320 0.018 0.000 0.221 152 A C 2.045 179.645 177.584 0.026 0.000 1.161 152 A CA 1.442 53.508 52.037 0.048 0.000 0.653 152 A CB -0.194 18.687 19.000 -0.199 0.000 0.802 152 A HN 0.843 nan 8.150 nan 0.000 0.457 153 K N -0.620 119.744 120.400 -0.060 0.000 2.209 153 K HA -0.055 4.276 4.320 0.018 0.000 0.204 153 K C 1.044 177.455 176.600 -0.315 0.000 1.048 153 K CA 1.197 57.410 56.287 -0.123 0.000 0.940 153 K CB -0.291 32.147 32.500 -0.103 0.000 0.729 153 K HN 0.562 nan 8.250 nan 0.000 0.451 154 L N -0.613 120.218 121.223 -0.654 0.000 2.612 154 L HA 0.112 4.463 4.340 0.018 0.000 0.230 154 L C 0.711 176.850 176.870 -1.218 0.000 1.140 154 L CA 0.439 54.547 54.840 -1.221 0.000 0.896 154 L CB -0.037 40.734 42.059 -2.147 0.000 1.065 154 L HN 0.033 nan 8.230 nan 0.000 0.447 155 F N -1.203 118.648 119.950 -0.165 0.000 2.640 155 F HA 0.244 4.781 4.527 0.017 0.000 0.285 155 F C 1.673 177.462 175.800 -0.018 0.000 1.031 155 F CA -0.487 57.492 58.000 -0.035 0.000 1.240 155 F CB 0.079 39.063 39.000 -0.027 0.000 1.011 155 F HN -0.208 nan 8.300 nan 0.000 0.656 156 K N -0.197 120.267 120.400 0.107 0.000 3.575 156 K HA -0.175 4.156 4.320 0.018 0.000 0.272 156 K C -0.524 176.094 176.600 0.030 0.000 1.019 156 K CA 1.266 57.584 56.287 0.052 0.000 1.123 156 K CB -1.288 31.242 32.500 0.049 0.000 1.364 156 K HN 0.281 nan 8.250 nan 0.000 0.482 157 S N 1.631 117.361 115.700 0.050 0.000 2.756 157 S HA 0.329 4.809 4.470 0.018 0.000 0.303 157 S C -1.044 173.481 174.600 -0.124 0.000 1.135 157 S CA -1.132 57.044 58.200 -0.040 0.000 1.066 157 S CB 1.733 64.944 63.200 0.018 0.000 1.008 157 S HN 0.091 nan 8.310 nan 0.000 0.482 158 D N 3.134 123.344 120.400 -0.318 0.000 2.525 158 D HA -0.014 4.637 4.640 0.018 0.000 0.235 158 D C 0.440 176.532 176.300 -0.347 0.000 1.137 158 D CA 0.335 54.080 54.000 -0.424 0.000 0.868 158 D CB 0.472 40.783 40.800 -0.816 0.000 1.180 158 D HN 0.310 nan 8.370 nan 0.000 0.465 159 R N 2.242 122.522 120.500 -0.367 0.000 2.458 159 R HA 0.190 4.541 4.340 0.018 0.000 0.303 159 R C 0.301 176.278 176.300 -0.539 0.000 1.013 159 R CA -0.027 55.769 56.100 -0.506 0.000 1.026 159 R CB 0.223 30.189 30.300 -0.557 0.000 0.948 159 R HN 0.518 nan 8.270 nan 0.000 0.417 160 I N 3.135 123.322 120.570 -0.639 0.000 2.607 160 I HA 0.474 4.655 4.170 0.018 0.000 0.305 160 I C -1.084 174.291 176.117 -1.235 0.000 0.995 160 I CA -0.916 59.957 61.300 -0.712 0.000 1.148 160 I CB 1.027 38.808 38.000 -0.365 0.000 1.323 160 I HN 0.305 nan 8.210 nan 0.000 0.461 161 F N 5.302 124.739 119.950 -0.856 0.000 2.581 161 F HA 0.479 5.017 4.527 0.018 0.000 0.311 161 F C -0.714 174.737 175.800 -0.582 0.000 1.113 161 F CA -0.526 57.085 58.000 -0.648 0.000 0.935 161 F CB 1.655 40.147 39.000 -0.848 0.000 1.232 161 F HN 0.147 nan 8.300 nan 0.000 0.445 162 F N 1.149 121.209 119.950 0.182 0.000 2.497 162 F HA 0.779 5.316 4.527 0.017 0.000 0.331 162 F C 0.643 176.586 175.800 0.237 0.000 1.060 162 F CA -1.059 57.065 58.000 0.206 0.000 0.989 162 F CB 1.050 40.090 39.000 0.066 0.000 1.245 162 F HN 0.589 nan 8.300 nan 0.000 0.486 163 A N 0.902 123.794 122.820 0.120 0.000 2.327 163 A HA 0.123 4.453 4.320 0.018 0.000 0.255 163 A C 1.188 178.628 177.584 -0.241 0.000 1.099 163 A CA -0.184 51.514 52.037 -0.565 0.000 0.801 163 A CB -0.162 18.489 19.000 -0.583 0.000 1.062 163 A HN 0.986 nan 8.150 nan 0.000 0.496 164 N N -0.892 117.612 118.700 -0.327 0.000 2.334 164 N HA -0.164 4.586 4.740 0.018 0.000 0.187 164 N C -0.031 175.367 175.510 -0.188 0.000 1.016 164 N CA 0.801 53.742 53.050 -0.182 0.000 0.879 164 N CB -0.106 38.288 38.487 -0.155 0.000 0.965 164 N HN 0.657 nan 8.380 nan 0.000 0.438 165 Q N 0.406 120.062 119.800 -0.240 0.000 2.313 165 Q HA 0.075 4.425 4.340 0.018 0.000 0.266 165 Q C -0.176 175.484 176.000 -0.567 0.000 0.989 165 Q CA 0.389 55.932 55.803 -0.433 0.000 0.890 165 Q CB 1.480 29.879 28.738 -0.565 0.000 1.200 165 Q HN -0.050 nan 8.270 nan 0.000 0.396 166 T N 2.469 116.704 114.554 -0.531 0.000 2.845 166 T HA 0.542 4.902 4.350 0.018 0.000 0.288 166 T C -1.409 172.965 174.700 -0.542 0.000 0.980 166 T CA -0.287 61.575 62.100 -0.396 0.000 1.071 166 T CB 0.276 69.000 68.868 -0.240 0.000 0.941 166 T HN 0.395 nan 8.240 nan 0.000 0.487 167 Y N 3.013 123.223 120.300 -0.150 0.000 2.492 167 Y HA 0.482 5.043 4.550 0.018 0.000 0.346 167 Y C 0.276 176.013 175.900 -0.271 0.000 0.997 167 Y CA -1.150 56.857 58.100 -0.156 0.000 1.025 167 Y CB 1.416 39.808 38.460 -0.113 0.000 1.263 167 Y HN 0.530 nan 8.280 nan 0.000 0.454 168 L N 4.870 126.033 121.223 -0.100 0.000 2.476 168 L HA 0.105 4.455 4.340 0.018 0.000 0.264 168 L C -1.069 175.723 176.870 -0.131 0.000 1.224 168 L CA -1.416 53.259 54.840 -0.275 0.000 0.821 168 L CB 0.643 42.599 42.059 -0.172 0.000 1.101 168 L HN 0.502 nan 8.230 nan 0.000 0.488 169 P HA -0.178 nan 4.420 nan 0.000 0.229 169 P C 1.343 178.664 177.300 0.035 0.000 1.147 169 P CA 0.939 64.088 63.100 0.082 0.000 0.766 169 P CB 0.098 31.914 31.700 0.193 0.000 0.775 170 S N 0.435 116.137 115.700 0.004 0.000 2.440 170 S HA -0.178 4.303 4.470 0.018 0.000 0.240 170 S C 1.119 175.696 174.600 -0.038 0.000 1.014 170 S CA 1.272 59.466 58.200 -0.011 0.000 0.980 170 S CB -0.800 62.388 63.200 -0.020 0.000 0.775 170 S HN 0.271 nan 8.310 nan 0.000 0.499 171 E N -1.417 118.754 120.200 -0.049 0.000 3.547 171 E HA -0.247 4.114 4.350 0.018 0.000 0.300 171 E C 0.863 177.346 176.600 -0.196 0.000 0.857 171 E CA 0.817 57.165 56.400 -0.085 0.000 1.039 171 E CB -2.829 26.847 29.700 -0.040 0.000 1.524 171 E HN 0.631 nan 8.360 nan 0.000 0.457 172 T N -0.995 113.432 114.554 -0.212 0.000 3.037 172 T HA -0.272 4.088 4.350 0.018 0.000 0.123 172 T C -1.933 172.596 174.700 -0.286 0.000 1.771 172 T CA 2.132 64.055 62.100 -0.295 0.000 0.871 172 T CB -2.402 66.180 68.868 -0.475 0.000 0.921 172 T HN 0.195 nan 8.240 nan 0.000 0.425 173 P HA 0.228 nan 4.420 nan 0.000 0.251 173 P C 0.569 177.810 177.300 -0.098 0.000 1.154 173 P CA 0.910 63.881 63.100 -0.214 0.000 0.805 173 P CB -0.086 31.487 31.700 -0.212 0.000 0.759 174 A N 7.228 130.013 122.820 -0.058 0.000 1.915 174 A HA -0.192 4.138 4.320 0.018 0.000 0.220 174 A C -0.327 177.269 177.584 0.020 0.000 1.198 174 A CA 1.933 53.959 52.037 -0.019 0.000 0.647 174 A CB -2.307 16.685 19.000 -0.012 0.000 0.825 174 A HN 0.427 nan 8.150 nan 0.000 0.456 175 P HA -0.055 nan 4.420 nan 0.000 0.225 175 P C 1.067 178.496 177.300 0.215 0.000 1.148 175 P CA 0.550 63.713 63.100 0.105 0.000 0.779 175 P CB 0.046 31.800 31.700 0.090 0.000 0.780 176 L N -1.560 119.760 121.223 0.162 0.000 2.354 176 L HA 0.013 4.364 4.340 0.018 0.000 0.212 176 L C 2.281 179.300 176.870 0.248 0.000 1.091 176 L CA 0.800 55.801 54.840 0.268 0.000 0.828 176 L CB -1.396 40.747 42.059 0.141 0.000 0.973 176 L HN -0.196 nan 8.230 nan 0.000 0.461 177 V N 0.109 120.083 119.914 0.101 0.000 2.252 177 V HA -0.422 3.709 4.120 0.018 0.000 0.255 177 V C 2.522 178.654 176.094 0.062 0.000 1.071 177 V CA 2.031 64.362 62.300 0.050 0.000 1.050 177 V CB -0.674 31.155 31.823 0.011 0.000 0.654 177 V HN 0.433 nan 8.190 nan 0.000 0.448 178 K N -1.569 118.850 120.400 0.032 0.000 2.148 178 K HA -0.135 4.196 4.320 0.018 0.000 0.204 178 K C 2.089 178.669 176.600 -0.034 0.000 1.050 178 K CA 1.518 57.774 56.287 -0.052 0.000 0.942 178 K CB -0.251 32.152 32.500 -0.162 0.000 0.724 178 K HN 0.552 nan 8.250 nan 0.000 0.446 179 Y N 0.667 121.028 120.300 0.102 0.000 2.352 179 Y HA -0.130 4.431 4.550 0.018 0.000 0.292 179 Y C 2.472 178.526 175.900 0.257 0.000 1.136 179 Y CA 1.091 59.295 58.100 0.174 0.000 1.227 179 Y CB -0.118 38.448 38.460 0.177 0.000 0.991 179 Y HN 0.026 nan 8.280 nan 0.000 0.545 180 R N 0.888 121.563 120.500 0.292 0.000 2.055 180 R HA -0.141 4.210 4.340 0.018 0.000 0.228 180 R C 1.908 178.237 176.300 0.048 0.000 1.143 180 R CA 1.862 57.998 56.100 0.060 0.000 0.945 180 R CB -0.134 30.128 30.300 -0.063 0.000 0.841 180 R HN 0.402 nan 8.270 nan 0.000 0.429 181 E N 0.298 120.529 120.200 0.052 0.000 2.110 181 E HA -0.232 4.129 4.350 0.018 0.000 0.193 181 E C 1.895 178.539 176.600 0.073 0.000 0.988 181 E CA 1.089 57.519 56.400 0.050 0.000 0.804 181 E CB -0.166 29.555 29.700 0.035 0.000 0.745 181 E HN 0.515 nan 8.360 nan 0.000 0.458 182 E N 1.341 121.584 120.200 0.072 0.000 2.033 182 E HA -0.242 4.119 4.350 0.018 0.000 0.199 182 E C 2.200 178.888 176.600 0.146 0.000 1.011 182 E CA 1.061 57.509 56.400 0.080 0.000 0.815 182 E CB 0.093 29.827 29.700 0.058 0.000 0.755 182 E HN 0.128 nan 8.360 nan 0.000 0.451 183 E N 0.123 120.413 120.200 0.151 0.000 2.160 183 E HA -0.188 4.173 4.350 0.018 0.000 0.195 183 E C 2.082 178.729 176.600 0.077 0.000 0.991 183 E CA 0.501 56.977 56.400 0.127 0.000 0.810 183 E CB -0.017 29.782 29.700 0.165 0.000 0.742 183 E HN 0.217 nan 8.360 nan 0.000 0.466 184 L N 0.225 121.484 121.223 0.061 0.000 2.017 184 L HA -0.184 4.167 4.340 0.018 0.000 0.208 184 L C 2.418 179.303 176.870 0.024 0.000 1.073 184 L CA 1.972 56.819 54.840 0.012 0.000 0.745 184 L CB -1.359 40.707 42.059 0.012 0.000 0.894 184 L HN 0.291 nan 8.230 nan 0.000 0.432 185 H N -0.820 118.243 119.070 -0.012 0.000 2.421 185 H HA -0.095 4.472 4.556 0.018 0.000 0.298 185 H C 2.000 177.332 175.328 0.006 0.000 1.087 185 H CA 1.799 57.843 56.048 -0.006 0.000 1.330 185 H CB 0.112 29.878 29.762 0.007 0.000 1.388 185 H HN 0.344 nan 8.280 nan 0.000 0.526 186 N N -0.102 118.634 118.700 0.061 0.000 2.244 186 N HA -0.105 4.646 4.740 0.018 0.000 0.183 186 N C 1.269 176.776 175.510 -0.005 0.000 1.016 186 N CA 0.725 53.790 53.050 0.025 0.000 0.866 186 N CB 0.132 38.676 38.487 0.094 0.000 0.980 186 N HN 0.299 nan 8.380 nan 0.000 0.430 187 L N 1.502 122.731 121.223 0.010 0.000 2.179 187 L HA 0.008 4.359 4.340 0.018 0.000 0.208 187 L C 2.166 179.067 176.870 0.052 0.000 1.096 187 L CA 1.181 56.067 54.840 0.076 0.000 0.779 187 L CB -0.553 41.534 42.059 0.047 0.000 0.922 187 L HN 0.074 nan 8.230 nan 0.000 0.443 188 R N -0.871 119.586 120.500 -0.072 0.000 2.075 188 R HA 0.122 4.472 4.340 0.018 0.000 0.226 188 R C 1.689 177.919 176.300 -0.116 0.000 1.114 188 R CA 0.816 56.854 56.100 -0.102 0.000 0.972 188 R CB -0.523 29.688 30.300 -0.148 0.000 0.869 188 R HN 0.347 nan 8.270 nan 0.000 0.437 189 G N 2.399 111.086 108.800 -0.188 0.000 2.216 189 G HA2 -0.450 3.520 3.960 0.018 0.000 0.269 189 G HA3 -0.450 3.520 3.960 0.018 0.000 0.269 189 G C -0.022 174.790 174.900 -0.146 0.000 0.981 189 G CA 1.249 46.238 45.100 -0.184 0.000 0.658 189 G HN 0.702 nan 8.290 nan 0.000 0.539 190 D N -3.086 117.241 120.400 -0.122 0.000 9.948 190 D HA 0.269 4.920 4.640 0.018 0.000 0.354 190 D C 0.564 176.825 176.300 -0.065 0.000 2.964 190 D CA 1.692 55.650 54.000 -0.071 0.000 2.324 190 D CB -1.017 39.749 40.800 -0.057 0.000 1.175 190 D HN 1.386 nan 8.370 nan 0.000 1.063 191 G N 0.240 109.014 108.800 -0.044 0.000 4.649 191 G HA2 0.573 4.543 3.960 0.018 0.000 0.312 191 G HA3 0.573 4.543 3.960 0.018 0.000 0.312 191 G C -0.265 174.601 174.900 -0.056 0.000 1.403 191 G CA 0.357 45.427 45.100 -0.049 0.000 1.248 191 G HN 1.002 nan 8.290 nan 0.000 0.581 192 T N -2.239 112.271 114.554 -0.074 0.000 2.900 192 T HA 0.823 5.184 4.350 0.018 0.000 0.303 192 T C 0.121 174.760 174.700 -0.101 0.000 1.142 192 T CA -0.036 62.020 62.100 -0.073 0.000 1.007 192 T CB 2.192 71.029 68.868 -0.052 0.000 1.156 192 T HN 1.863 nan 8.240 nan 0.000 0.490 193 G N 0.835 109.574 108.800 -0.101 0.000 2.730 193 G HA2 0.024 3.995 3.960 0.018 0.000 0.686 193 G HA3 0.024 3.995 3.960 0.018 0.000 0.686 193 G C -0.779 174.018 174.900 -0.172 0.000 1.343 193 G CA -0.428 44.597 45.100 -0.125 0.000 0.826 193 G HN 1.084 nan 8.290 nan 0.000 0.582 194 E N 0.456 120.544 120.200 -0.186 0.000 2.167 194 E HA 0.378 4.739 4.350 0.018 0.000 0.284 194 E C 0.531 176.915 176.600 -0.360 0.000 1.016 194 E CA -0.954 55.307 56.400 -0.233 0.000 0.817 194 E CB 0.409 30.005 29.700 -0.173 0.000 1.080 194 E HN 0.398 nan 8.360 nan 0.000 0.397 195 R N 3.422 123.607 120.500 -0.525 0.000 2.537 195 R HA 0.147 4.498 4.340 0.018 0.000 0.280 195 R C -0.047 175.793 176.300 -0.766 0.000 1.058 195 R CA 0.152 55.713 56.100 -0.899 0.000 1.057 195 R CB 0.339 29.597 30.300 -1.736 0.000 0.973 195 R HN 0.425 nan 8.270 nan 0.000 0.438 196 K N 1.985 121.909 120.400 -0.794 0.000 2.166 196 K HA 0.126 4.457 4.320 0.018 0.000 0.245 196 K C 0.928 177.191 176.600 -0.562 0.000 0.967 196 K CA -0.708 55.178 56.287 -0.668 0.000 0.863 196 K CB 1.502 33.456 32.500 -0.910 0.000 1.107 196 K HN 0.537 nan 8.250 nan 0.000 0.436 197 E N 1.862 121.867 120.200 -0.325 0.000 2.147 197 E HA -0.187 4.173 4.350 0.018 0.000 0.199 197 E C 0.786 177.232 176.600 -0.257 0.000 1.005 197 E CA 1.721 58.029 56.400 -0.153 0.000 0.810 197 E CB 0.135 29.812 29.700 -0.039 0.000 0.736 197 E HN 0.693 nan 8.360 nan 0.000 0.460 198 W N 0.940 122.019 121.300 -0.368 0.000 3.256 198 W HA 0.243 4.914 4.660 0.017 0.000 0.269 198 W C -0.062 176.364 176.519 -0.155 0.000 1.310 198 W CA -0.347 56.591 57.345 -0.679 0.000 1.673 198 W CB -0.412 28.437 29.460 -1.019 0.000 1.115 198 W HN -0.126 nan 8.180 nan 0.000 0.686 199 E N 1.670 121.704 120.200 -0.277 0.000 2.349 199 E HA 0.264 4.624 4.350 0.018 0.000 0.265 199 E C -0.239 176.421 176.600 0.100 0.000 1.064 199 E CA -0.418 55.942 56.400 -0.067 0.000 0.886 199 E CB 0.839 30.305 29.700 -0.389 0.000 1.036 199 E HN -0.032 nan 8.360 nan 0.000 0.413 200 R N 2.144 122.717 120.500 0.123 0.000 2.983 200 R HA 0.365 4.716 4.340 0.018 0.000 0.300 200 R C -0.579 175.779 176.300 0.097 0.000 1.367 200 R CA -0.145 56.013 56.100 0.097 0.000 1.564 200 R CB 0.050 30.463 30.300 0.187 0.000 1.314 200 R HN 0.357 nan 8.270 nan 0.000 0.622 201 I N 1.234 121.814 120.570 0.017 0.000 2.378 201 I HA 0.323 4.503 4.170 0.018 0.000 0.291 201 I C -0.757 175.311 176.117 -0.083 0.000 0.992 201 I CA -1.018 60.294 61.300 0.021 0.000 1.154 201 I CB 1.234 39.202 38.000 -0.053 0.000 1.315 201 I HN 0.187 nan 8.210 nan 0.000 0.448 202 Y N 4.448 124.715 120.300 -0.055 0.000 2.335 202 Y HA 0.569 5.129 4.550 0.018 0.000 0.338 202 Y C -0.120 175.634 175.900 -0.243 0.000 0.977 202 Y CA -0.583 57.441 58.100 -0.126 0.000 1.114 202 Y CB 1.211 39.591 38.460 -0.133 0.000 1.182 202 Y HN 0.423 nan 8.280 nan 0.000 0.463 203 D N 0.766 121.043 120.400 -0.204 0.000 2.622 203 D HA 0.275 4.926 4.640 0.018 0.000 0.255 203 D C -1.534 174.529 176.300 -0.396 0.000 1.246 203 D CA -0.796 52.998 54.000 -0.343 0.000 0.795 203 D CB 1.442 42.152 40.800 -0.150 0.000 1.369 203 D HN 0.318 nan 8.370 nan 0.000 0.425 204 Y N 0.392 120.674 120.300 -0.030 0.000 2.403 204 Y HA 0.576 5.136 4.550 0.018 0.000 0.323 204 Y C 0.523 176.383 175.900 -0.067 0.000 1.226 204 Y CA -0.326 57.738 58.100 -0.059 0.000 1.235 204 Y CB 1.133 39.550 38.460 -0.071 0.000 1.248 204 Y HN 0.107 nan 8.280 nan 0.000 0.489 205 D N -0.831 119.622 120.400 0.088 0.000 2.663 205 D HA 0.321 4.972 4.640 0.018 0.000 0.233 205 D C -1.300 174.984 176.300 -0.027 0.000 1.240 205 D CA -0.426 53.579 54.000 0.008 0.000 0.774 205 D CB 2.260 43.035 40.800 -0.041 0.000 1.443 205 D HN 0.259 nan 8.370 nan 0.000 0.441 206 V N 1.683 121.594 119.914 -0.004 0.000 3.264 206 V HA 0.158 4.289 4.120 0.018 0.000 0.304 206 V C -0.050 176.041 176.094 -0.005 0.000 1.086 206 V CA -0.074 62.252 62.300 0.044 0.000 1.090 206 V CB 0.584 32.452 31.823 0.074 0.000 1.112 206 V HN 0.481 nan 8.190 nan 0.000 0.472 207 Y N 3.058 123.388 120.300 0.049 0.000 2.613 207 Y HA 0.211 4.771 4.550 0.017 0.000 0.354 207 Y C 1.050 176.940 175.900 -0.016 0.000 1.063 207 Y CA 0.191 58.308 58.100 0.027 0.000 1.384 207 Y CB -0.110 38.359 38.460 0.015 0.000 1.199 207 Y HN 0.744 nan 8.280 nan 0.000 0.517 208 N N 0.242 118.979 118.700 0.062 0.000 2.390 208 N HA 0.071 4.821 4.740 0.018 0.000 0.259 208 N C -0.332 175.184 175.510 0.010 0.000 1.395 208 N CA -0.126 52.944 53.050 0.034 0.000 0.852 208 N CB 0.370 38.871 38.487 0.024 0.000 1.371 208 N HN 0.539 nan 8.380 nan 0.000 0.491 209 D N -0.530 119.876 120.400 0.010 0.000 2.527 209 D HA 0.085 4.736 4.640 0.018 0.000 0.224 209 D C 0.912 177.212 176.300 -0.001 0.000 1.217 209 D CA -0.319 53.678 54.000 -0.005 0.000 0.819 209 D CB 0.338 41.124 40.800 -0.022 0.000 1.061 209 D HN 0.022 nan 8.370 nan 0.000 0.515 210 L N 0.802 122.029 121.223 0.006 0.000 2.270 210 L HA 0.383 4.734 4.340 0.018 0.000 0.210 210 L C 1.605 178.459 176.870 -0.028 0.000 1.104 210 L CA 0.896 55.725 54.840 -0.019 0.000 0.804 210 L CB -0.710 41.326 42.059 -0.039 0.000 0.937 210 L HN 0.239 nan 8.230 nan 0.000 0.450 211 G N -1.726 107.064 108.800 -0.016 0.000 2.528 211 G HA2 0.323 4.293 3.960 0.018 0.000 0.289 211 G HA3 0.323 4.293 3.960 0.018 0.000 0.289 211 G C -0.979 173.932 174.900 0.017 0.000 1.192 211 G CA -0.152 44.946 45.100 -0.003 0.000 0.921 211 G HN 0.054 nan 8.290 nan 0.000 0.512 212 D N -0.100 120.330 120.400 0.049 0.000 2.552 212 D HA 0.323 4.974 4.640 0.018 0.000 0.285 212 D C -1.718 174.602 176.300 0.032 0.000 1.206 212 D CA -1.563 52.459 54.000 0.037 0.000 0.826 212 D CB 1.490 42.320 40.800 0.051 0.000 1.179 212 D HN -0.019 nan 8.370 nan 0.000 0.508 213 P HA -0.060 nan 4.420 nan 0.000 0.219 213 P C 0.765 178.055 177.300 -0.015 0.000 1.146 213 P CA 0.811 63.920 63.100 0.015 0.000 0.808 213 P CB 0.527 32.235 31.700 0.013 0.000 0.779 214 D N -0.927 119.453 120.400 -0.034 0.000 2.277 214 D HA -0.074 4.576 4.640 0.018 0.000 0.208 214 D C 1.289 177.533 176.300 -0.093 0.000 0.962 214 D CA 0.992 54.961 54.000 -0.051 0.000 0.865 214 D CB -0.300 40.474 40.800 -0.044 0.000 0.939 214 D HN 0.189 nan 8.370 nan 0.000 0.510 215 K N 0.183 120.491 120.400 -0.153 0.000 2.811 215 K HA 0.380 4.710 4.320 0.018 0.000 0.217 215 K C -0.428 175.905 176.600 -0.445 0.000 1.115 215 K CA -0.153 55.954 56.287 -0.300 0.000 1.179 215 K CB 0.029 32.299 32.500 -0.383 0.000 0.994 215 K HN 0.088 nan 8.250 nan 0.000 0.464 216 G N 1.626 110.319 108.800 -0.178 0.000 3.187 216 G HA2 -0.143 3.828 3.960 0.018 0.000 0.682 216 G HA3 -0.143 3.828 3.960 0.018 0.000 0.682 216 G C 0.021 174.964 174.900 0.071 0.000 1.266 216 G CA -0.519 44.554 45.100 -0.045 0.000 0.902 216 G HN 0.295 nan 8.290 nan 0.000 0.589 217 E N 1.541 121.775 120.200 0.057 0.000 2.396 217 E HA -0.198 4.163 4.350 0.018 0.000 0.200 217 E C 1.450 178.095 176.600 0.075 0.000 1.023 217 E CA 1.096 57.529 56.400 0.056 0.000 0.857 217 E CB 0.033 29.756 29.700 0.038 0.000 0.775 217 E HN 0.681 nan 8.360 nan 0.000 0.525 218 N N 0.734 119.506 118.700 0.120 0.000 2.392 218 N HA -0.100 4.650 4.740 0.018 0.000 0.177 218 N C 1.148 176.673 175.510 0.025 0.000 1.066 218 N CA 0.201 53.294 53.050 0.071 0.000 0.895 218 N CB -0.036 38.490 38.487 0.066 0.000 0.988 218 N HN 0.309 nan 8.380 nan 0.000 0.457 219 H N -0.065 118.989 119.070 -0.027 0.000 2.539 219 H HA 0.241 4.807 4.556 0.017 0.000 0.269 219 H C 0.418 175.725 175.328 -0.034 0.000 0.980 219 H CA -0.185 55.842 56.048 -0.036 0.000 1.152 219 H CB 0.704 30.447 29.762 -0.032 0.000 1.407 219 H HN 0.226 nan 8.280 nan 0.000 0.564 220 A N 1.754 124.625 122.820 0.084 0.000 2.401 220 A HA 0.382 4.713 4.320 0.018 0.000 0.259 220 A C 0.281 177.871 177.584 0.010 0.000 1.103 220 A CA -0.094 51.968 52.037 0.043 0.000 0.789 220 A CB 0.380 19.404 19.000 0.041 0.000 1.035 220 A HN 0.297 nan 8.150 nan 0.000 0.491 221 R N 1.668 122.165 120.500 -0.006 0.000 2.686 221 R HA 0.598 4.948 4.340 0.018 0.000 0.286 221 R C -2.794 173.486 176.300 -0.032 0.000 0.969 221 R CA -1.705 54.371 56.100 -0.039 0.000 0.898 221 R CB 1.260 31.515 30.300 -0.075 0.000 1.183 221 R HN 0.543 nan 8.270 nan 0.000 0.456 222 P HA -0.057 nan 4.420 nan 0.000 0.267 222 P C -0.912 176.363 177.300 -0.042 0.000 1.200 222 P CA -0.351 62.736 63.100 -0.023 0.000 0.772 222 P CB 0.566 32.221 31.700 -0.075 0.000 0.855 223 V N 4.523 124.460 119.914 0.039 0.000 2.488 223 V HA 0.141 4.272 4.120 0.018 0.000 0.277 223 V C -0.545 175.585 176.094 0.060 0.000 1.046 223 V CA -0.421 61.908 62.300 0.049 0.000 0.986 223 V CB 0.034 31.901 31.823 0.073 0.000 0.989 223 V HN 0.213 nan 8.190 nan 0.000 0.475 224 L N 7.583 128.813 121.223 0.012 0.000 2.262 224 L HA 0.906 5.257 4.340 0.018 0.000 0.288 224 L C 0.527 177.488 176.870 0.150 0.000 1.035 224 L CA 0.813 55.625 54.840 -0.046 0.000 0.820 224 L CB 0.208 41.945 42.059 -0.536 0.000 1.204 224 L HN 1.109 nan 8.230 nan 0.000 0.424 225 G N 1.979 110.900 108.800 0.201 0.000 2.576 225 G HA2 0.455 4.426 3.960 0.018 0.000 0.686 225 G HA3 0.455 4.426 3.960 0.018 0.000 0.686 225 G C 0.250 175.242 174.900 0.153 0.000 1.242 225 G CA -0.301 44.925 45.100 0.210 0.000 0.819 225 G HN 1.240 nan 8.290 nan 0.000 0.655 226 G N -0.714 108.163 108.800 0.128 0.000 2.143 226 G HA2 0.187 4.158 3.960 0.018 0.000 0.248 226 G HA3 0.187 4.158 3.960 0.018 0.000 0.248 226 G C 0.158 175.110 174.900 0.087 0.000 0.991 226 G CA 1.125 46.278 45.100 0.088 0.000 0.689 226 G HN 2.765 nan 8.290 nan 0.000 0.522 227 N N -2.204 116.562 118.700 0.110 0.000 2.859 227 N HA 0.500 5.250 4.740 0.018 0.000 0.250 227 N C -0.065 175.501 175.510 0.094 0.000 1.341 227 N CA -0.220 52.882 53.050 0.087 0.000 0.881 227 N CB 0.438 38.973 38.487 0.080 0.000 1.516 227 N HN -0.200 nan 8.380 nan 0.000 0.503 228 D N -0.192 120.240 120.400 0.053 0.000 2.117 228 D HA -0.088 4.563 4.640 0.018 0.000 0.197 228 D C 1.173 177.481 176.300 0.012 0.000 0.987 228 D CA 1.869 55.897 54.000 0.046 0.000 0.829 228 D CB -0.189 40.623 40.800 0.019 0.000 0.961 228 D HN 0.686 nan 8.370 nan 0.000 0.460 229 T N -0.256 114.245 114.554 -0.089 0.000 2.674 229 T HA -0.120 4.241 4.350 0.018 0.000 0.265 229 T C 0.443 174.939 174.700 -0.341 0.000 1.039 229 T CA 0.847 62.765 62.100 -0.304 0.000 1.150 229 T CB -0.159 68.390 68.868 -0.532 0.000 0.864 229 T HN 0.016 nan 8.240 nan 0.000 0.427 230 F N 2.529 122.542 119.950 0.104 0.000 2.389 230 F HA 0.390 4.928 4.527 0.018 0.000 0.327 230 F C -2.491 173.405 175.800 0.160 0.000 1.204 230 F CA -3.790 54.274 58.000 0.107 0.000 1.209 230 F CB 0.613 39.632 39.000 0.031 0.000 1.460 230 F HN -0.042 nan 8.300 nan 0.000 0.537 231 P HA 0.211 nan 4.420 nan 0.000 0.274 231 P C -1.133 176.434 177.300 0.446 0.000 1.237 231 P CA -0.081 63.286 63.100 0.445 0.000 0.793 231 P CB 1.423 33.442 31.700 0.533 0.000 0.977 232 Y N 0.168 120.421 120.300 -0.079 0.000 2.604 232 Y HA 0.329 4.889 4.550 0.017 0.000 0.331 232 Y C -2.576 173.024 175.900 -0.500 0.000 1.158 232 Y CA -2.181 55.576 58.100 -0.572 0.000 1.056 232 Y CB 1.749 40.041 38.460 -0.279 0.000 1.330 232 Y HN 0.265 nan 8.280 nan 0.000 0.457 233 P HA 0.244 nan 4.420 nan 0.000 0.272 233 P C -0.638 176.550 177.300 -0.187 0.000 1.223 233 P CA -0.223 62.511 63.100 -0.611 0.000 0.784 233 P CB 0.803 32.043 31.700 -0.766 0.000 0.923 234 R N 1.597 121.977 120.500 -0.200 0.000 2.637 234 R HA 0.356 4.707 4.340 0.018 0.000 0.269 234 R C 0.877 177.169 176.300 -0.013 0.000 1.089 234 R CA -0.293 55.790 56.100 -0.028 0.000 1.177 234 R CB 0.235 30.511 30.300 -0.040 0.000 1.091 234 R HN 0.656 nan 8.270 nan 0.000 0.540 235 R N -1.198 119.236 120.500 -0.110 0.000 2.923 235 R HA 0.542 4.893 4.340 0.018 0.000 0.252 235 R C 0.007 176.243 176.300 -0.106 0.000 1.130 235 R CA -0.787 55.200 56.100 -0.189 0.000 1.043 235 R CB 0.024 29.972 30.300 -0.586 0.000 1.205 235 R HN 0.609 nan 8.270 nan 0.000 0.495 236 G N 0.919 109.660 108.800 -0.098 0.000 2.334 236 G HA2 0.104 4.075 3.960 0.018 0.000 0.261 236 G HA3 0.104 4.075 3.960 0.018 0.000 0.261 236 G C -0.493 174.365 174.900 -0.071 0.000 1.257 236 G CA -0.476 44.573 45.100 -0.085 0.000 0.935 236 G HN 0.553 nan 8.290 nan 0.000 0.480 237 R N 1.554 122.014 120.500 -0.067 0.000 2.570 237 R HA 0.281 4.631 4.340 0.018 0.000 0.277 237 R C -0.353 175.935 176.300 -0.020 0.000 1.039 237 R CA 0.265 56.332 56.100 -0.054 0.000 1.065 237 R CB 0.441 30.700 30.300 -0.068 0.000 0.964 237 R HN 0.421 nan 8.270 nan 0.000 0.428 238 T N 1.754 116.279 114.554 -0.048 0.000 2.912 238 T HA 0.478 4.839 4.350 0.018 0.000 0.299 238 T C -0.111 174.519 174.700 -0.118 0.000 1.052 238 T CA -0.467 61.590 62.100 -0.071 0.000 0.996 238 T CB 1.502 70.375 68.868 0.009 0.000 1.070 238 T HN 0.680 nan 8.240 nan 0.000 0.465 239 G N 3.480 112.177 108.800 -0.172 0.000 4.291 239 G HA2 0.293 4.264 3.960 0.018 0.000 0.304 239 G HA3 0.293 4.264 3.960 0.018 0.000 0.304 239 G C 0.311 175.143 174.900 -0.113 0.000 1.264 239 G CA -0.474 44.545 45.100 -0.135 0.000 1.039 239 G HN 0.676 nan 8.290 nan 0.000 0.578 240 R N 0.854 121.298 120.500 -0.094 0.000 2.861 240 R HA 0.172 4.523 4.340 0.018 0.000 0.268 240 R C 0.853 177.116 176.300 -0.061 0.000 1.027 240 R CA 0.058 56.113 56.100 -0.075 0.000 1.163 240 R CB 0.676 30.942 30.300 -0.057 0.000 1.060 240 R HN 0.447 nan 8.270 nan 0.000 0.483 241 K N 2.318 122.687 120.400 -0.052 0.000 2.319 241 K HA 0.184 4.514 4.320 0.018 0.000 0.265 241 K C -2.273 174.306 176.600 -0.034 0.000 1.000 241 K CA -1.433 54.828 56.287 -0.042 0.000 0.943 241 K CB 0.313 32.791 32.500 -0.037 0.000 0.950 241 K HN 0.260 nan 8.250 nan 0.000 0.485 242 P HA -0.047 nan 4.420 nan 0.000 0.273 242 P C -0.281 177.008 177.300 -0.019 0.000 1.250 242 P CA -0.288 62.799 63.100 -0.022 0.000 0.793 242 P CB 0.382 32.071 31.700 -0.017 0.000 1.011 243 T N 1.079 115.624 114.554 -0.015 0.000 2.913 243 T HA 0.079 4.440 4.350 0.018 0.000 0.297 243 T C 1.744 176.436 174.700 -0.013 0.000 1.029 243 T CA -0.466 61.626 62.100 -0.014 0.000 1.104 243 T CB 0.147 69.009 68.868 -0.010 0.000 0.964 243 T HN 0.232 nan 8.240 nan 0.000 0.532 244 R N 3.066 123.556 120.500 -0.015 0.000 2.082 244 R HA -0.029 4.322 4.340 0.018 0.000 0.234 244 R C 2.185 178.479 176.300 -0.010 0.000 1.136 244 R CA 1.450 57.541 56.100 -0.014 0.000 0.935 244 R CB -0.428 29.861 30.300 -0.017 0.000 0.842 244 R HN 0.609 nan 8.270 nan 0.000 0.430 245 K N 0.594 120.988 120.400 -0.010 0.000 2.360 245 K HA -0.095 4.235 4.320 0.018 0.000 0.201 245 K C -0.100 176.501 176.600 0.000 0.000 1.046 245 K CA 0.724 57.008 56.287 -0.005 0.000 0.945 245 K CB -0.103 32.394 32.500 -0.006 0.000 0.750 245 K HN 0.146 nan 8.250 nan 0.000 0.464 246 D N -0.931 119.469 120.400 0.000 0.000 2.763 246 D HA 0.108 4.758 4.640 0.018 0.000 0.235 246 D C -2.166 174.135 176.300 0.001 0.000 1.334 246 D CA -1.864 52.139 54.000 0.005 0.000 0.950 246 D CB 1.930 42.736 40.800 0.010 0.000 1.433 246 D HN -0.248 nan 8.370 nan 0.000 0.580 247 P HA -0.039 nan 4.420 nan 0.000 0.220 247 P C 0.505 177.806 177.300 0.000 0.000 1.152 247 P CA 0.651 63.750 63.100 -0.002 0.000 0.812 247 P CB 0.374 32.073 31.700 -0.002 0.000 0.792 248 N N -0.780 117.924 118.700 0.007 0.000 2.571 248 N HA -0.010 4.741 4.740 0.018 0.000 0.189 248 N C 0.365 175.882 175.510 0.011 0.000 1.154 248 N CA 0.551 53.608 53.050 0.011 0.000 0.907 248 N CB -0.206 38.294 38.487 0.021 0.000 0.977 248 N HN 0.057 nan 8.380 nan 0.000 0.449 249 S N -0.293 115.411 115.700 0.006 0.000 2.593 249 S HA 0.245 4.725 4.470 0.018 0.000 0.297 249 S C -0.387 174.209 174.600 -0.007 0.000 1.112 249 S CA -0.808 57.394 58.200 0.003 0.000 1.043 249 S CB 1.931 65.134 63.200 0.005 0.000 1.054 249 S HN 0.179 nan 8.310 nan 0.000 0.516 250 E N 1.301 121.495 120.200 -0.011 0.000 2.204 250 E HA 0.400 4.761 4.350 0.018 0.000 0.276 250 E C -0.700 175.888 176.600 -0.020 0.000 0.974 250 E CA -0.562 55.826 56.400 -0.020 0.000 0.815 250 E CB 0.877 30.560 29.700 -0.028 0.000 1.119 250 E HN 0.515 nan 8.360 nan 0.000 0.393 251 S N 2.850 118.535 115.700 -0.024 0.000 2.563 251 S HA 0.087 4.568 4.470 0.018 0.000 0.284 251 S C 0.133 174.719 174.600 -0.022 0.000 1.331 251 S CA -0.191 57.995 58.200 -0.024 0.000 1.047 251 S CB 0.452 63.636 63.200 -0.027 0.000 0.859 251 S HN 0.414 nan 8.310 nan 0.000 0.514 252 R N 1.171 121.659 120.500 -0.020 0.000 2.457 252 R HA 0.581 4.932 4.340 0.018 0.000 0.284 252 R C -0.121 176.169 176.300 -0.017 0.000 1.024 252 R CA -0.279 55.811 56.100 -0.017 0.000 1.025 252 R CB 1.493 31.785 30.300 -0.014 0.000 1.063 252 R HN 0.561 nan 8.270 nan 0.000 0.493 253 S N -0.068 115.624 115.700 -0.014 0.000 2.556 253 S HA 0.215 4.696 4.470 0.018 0.000 0.271 253 S C 0.013 174.609 174.600 -0.007 0.000 1.135 253 S CA -0.740 57.453 58.200 -0.012 0.000 0.858 253 S CB 1.392 64.584 63.200 -0.013 0.000 1.114 253 S HN 0.586 nan 8.310 nan 0.000 0.468 254 N N 1.707 120.405 118.700 -0.005 0.000 2.461 254 N HA 0.114 4.864 4.740 0.018 0.000 0.188 254 N C -1.002 174.511 175.510 0.006 0.000 1.134 254 N CA 0.685 53.734 53.050 -0.002 0.000 0.878 254 N CB 0.089 38.575 38.487 -0.001 0.000 0.972 254 N HN 0.542 nan 8.380 nan 0.000 0.456 255 D N 0.635 121.040 120.400 0.008 0.000 2.386 255 D HA 0.078 4.728 4.640 0.018 0.000 0.247 255 D C -0.189 176.122 176.300 0.019 0.000 1.336 255 D CA -0.311 53.700 54.000 0.017 0.000 0.976 255 D CB 2.282 43.093 40.800 0.019 0.000 1.257 255 D HN -0.150 nan 8.370 nan 0.000 0.570 256 V N 0.886 120.813 119.914 0.021 0.000 2.546 256 V HA 0.454 4.585 4.120 0.018 0.000 0.284 256 V C -0.386 175.734 176.094 0.043 0.000 1.050 256 V CA -0.406 61.911 62.300 0.028 0.000 0.981 256 V CB 1.020 32.853 31.823 0.016 0.000 0.990 256 V HN 0.393 nan 8.190 nan 0.000 0.474 257 Y N 6.764 127.012 120.300 -0.087 0.000 2.320 257 Y HA 0.749 5.310 4.550 0.018 0.000 0.324 257 Y C -0.471 175.356 175.900 -0.121 0.000 1.190 257 Y CA -1.133 56.897 58.100 -0.117 0.000 1.215 257 Y CB 1.446 39.806 38.460 -0.165 0.000 1.221 257 Y HN 0.968 nan 8.280 nan 0.000 0.486 258 L N 3.544 124.114 121.223 -1.087 0.000 2.472 258 L HA 0.702 5.053 4.340 0.018 0.000 0.260 258 L C -3.077 172.995 176.870 -1.330 0.000 0.963 258 L CA -2.588 51.666 54.840 -0.975 0.000 0.829 258 L CB 1.928 43.753 42.059 -0.389 0.000 1.348 258 L HN 0.365 nan 8.230 nan 0.000 0.408 259 P HA 0.016 nan 4.420 nan 0.000 0.261 259 P C -0.519 176.558 177.300 -0.373 0.000 1.173 259 P CA 0.014 62.669 63.100 -0.743 0.000 0.760 259 P CB 0.360 31.417 31.700 -1.072 0.000 0.783 260 R N 3.463 123.856 120.500 -0.179 0.000 2.758 260 R HA -0.015 4.336 4.340 0.018 0.000 0.263 260 R C 0.794 177.167 176.300 0.122 0.000 1.010 260 R CA 1.407 57.508 56.100 0.002 0.000 1.114 260 R CB -0.637 29.747 30.300 0.141 0.000 0.985 260 R HN 0.590 nan 8.270 nan 0.000 0.439 261 D N 0.340 120.863 120.400 0.204 0.000 2.034 261 D HA -0.166 4.484 4.640 0.018 0.000 0.191 261 D C 0.566 176.885 176.300 0.031 0.000 1.386 261 D CA 1.675 55.797 54.000 0.204 0.000 1.458 261 D CB -0.840 40.124 40.800 0.273 0.000 1.379 261 D HN 0.678 nan 8.370 nan 0.000 0.579 262 E N 0.196 120.464 120.200 0.114 0.000 2.478 262 E HA 0.190 4.550 4.350 0.018 0.000 0.198 262 E C 0.721 177.462 176.600 0.235 0.000 1.046 262 E CA 0.919 57.444 56.400 0.208 0.000 0.870 262 E CB 0.087 29.858 29.700 0.117 0.000 0.818 262 E HN 0.482 nan 8.360 nan 0.000 0.527 263 A N 1.199 124.086 122.820 0.112 0.000 2.322 263 A HA 0.451 4.782 4.320 0.018 0.000 0.327 263 A C -0.715 176.949 177.584 0.132 0.000 1.394 263 A CA -0.528 51.599 52.037 0.151 0.000 0.921 263 A CB -0.277 18.755 19.000 0.055 0.000 1.153 263 A HN -0.098 nan 8.150 nan 0.000 0.523 264 F N 1.766 121.749 119.950 0.054 0.000 2.412 264 F HA 0.497 5.034 4.527 0.017 0.000 0.348 264 F C 1.307 176.940 175.800 -0.278 0.000 1.102 264 F CA 0.387 58.344 58.000 -0.072 0.000 1.196 264 F CB 1.389 40.298 39.000 -0.151 0.000 1.144 264 F HN 0.611 nan 8.300 nan 0.000 0.541 265 G N 1.678 110.382 108.800 -0.160 0.000 2.535 265 G HA2 0.448 4.418 3.960 0.018 0.000 0.303 265 G HA3 0.448 4.418 3.960 0.018 0.000 0.303 265 G C -1.105 173.322 174.900 -0.788 0.000 1.237 265 G CA -0.402 44.569 45.100 -0.216 0.000 0.986 265 G HN 0.640 nan 8.290 nan 0.000 0.494 266 H N -0.487 118.439 119.070 -0.240 0.000 2.930 266 H HA 0.223 4.791 4.556 0.019 0.000 0.371 266 H C 0.260 175.602 175.328 0.024 0.000 1.169 266 H CA -0.745 55.150 56.048 -0.255 0.000 1.157 266 H CB 2.163 31.535 29.762 -0.650 0.000 1.789 266 H HN 0.156 nan 8.280 nan 0.000 0.547 267 L N 0.537 121.839 121.223 0.132 0.000 2.240 267 L HA 0.097 4.447 4.340 0.018 0.000 0.211 267 L C 0.622 177.588 176.870 0.160 0.000 1.106 267 L CA 1.387 56.305 54.840 0.130 0.000 0.793 267 L CB -0.488 41.619 42.059 0.079 0.000 0.927 267 L HN 0.354 nan 8.230 nan 0.000 0.446 268 K N -0.462 120.038 120.400 0.166 0.000 2.207 268 K HA 0.200 4.531 4.320 0.018 0.000 0.255 268 K C 0.228 176.964 176.600 0.227 0.000 0.941 268 K CA -0.186 56.191 56.287 0.150 0.000 0.825 268 K CB 2.038 34.590 32.500 0.086 0.000 1.119 268 K HN -0.217 nan 8.250 nan 0.000 0.430 269 S N 1.524 117.330 115.700 0.176 0.000 3.483 269 S HA 0.180 4.661 4.470 0.018 0.000 0.274 269 S C 0.127 174.797 174.600 0.117 0.000 1.289 269 S CA 0.113 58.414 58.200 0.168 0.000 0.938 269 S CB -0.323 62.915 63.200 0.063 0.000 1.453 269 S HN 0.643 nan 8.310 nan 0.000 0.494 270 S N 2.521 118.302 115.700 0.135 0.000 1.775 270 S HA 0.033 4.514 4.470 0.018 0.000 0.162 270 S C 0.107 174.712 174.600 0.008 0.000 0.678 270 S CA -0.106 58.128 58.200 0.058 0.000 1.725 270 S CB -0.450 62.771 63.200 0.035 0.000 1.064 270 S HN 0.651 nan 8.310 nan 0.000 0.410 271 D N 0.425 120.787 120.400 -0.064 0.000 2.349 271 D HA 0.302 4.952 4.640 0.018 0.000 0.214 271 D C -0.084 175.850 176.300 -0.610 0.000 1.063 271 D CA 0.141 53.946 54.000 -0.325 0.000 0.847 271 D CB -0.093 40.457 40.800 -0.417 0.000 0.933 271 D HN 0.350 nan 8.370 nan 0.000 0.513 272 F N 1.377 121.182 119.950 -0.241 0.000 2.733 272 F HA 0.187 4.723 4.527 0.016 0.000 0.344 272 F C 1.694 177.504 175.800 0.015 0.000 1.179 272 F CA -0.208 57.742 58.000 -0.083 0.000 1.316 272 F CB -0.329 38.677 39.000 0.011 0.000 1.577 272 F HN -0.154 nan 8.300 nan 0.000 0.591 273 L N -0.298 120.955 121.223 0.049 0.000 2.043 273 L HA -0.286 4.064 4.340 0.018 0.000 0.212 273 L C 2.687 179.641 176.870 0.140 0.000 1.075 273 L CA 2.012 56.900 54.840 0.080 0.000 0.752 273 L CB -1.159 40.922 42.059 0.037 0.000 0.891 273 L HN 0.458 nan 8.230 nan 0.000 0.432 274 T N -3.336 111.327 114.554 0.181 0.000 2.759 274 T HA -0.304 4.057 4.350 0.018 0.000 0.269 274 T C 1.811 176.631 174.700 0.200 0.000 1.042 274 T CA 1.337 63.548 62.100 0.185 0.000 1.140 274 T CB -0.733 68.262 68.868 0.211 0.000 0.864 274 T HN 0.274 nan 8.240 nan 0.000 0.455 275 Y N 2.483 122.874 120.300 0.151 0.000 2.181 275 Y HA 0.083 4.640 4.550 0.012 0.000 0.288 275 Y C 2.763 178.692 175.900 0.049 0.000 1.146 275 Y CA 1.213 59.374 58.100 0.101 0.000 1.164 275 Y CB -0.906 37.617 38.460 0.105 0.000 0.982 275 Y HN 0.313 nan 8.280 nan 0.000 0.515 276 G N -0.158 108.741 108.800 0.165 0.000 2.432 276 G HA2 -0.229 3.742 3.960 0.018 0.000 0.219 276 G HA3 -0.229 3.742 3.960 0.018 0.000 0.219 276 G C 1.620 176.520 174.900 -0.000 0.000 1.135 276 G CA 0.842 45.961 45.100 0.033 0.000 0.767 276 G HN 0.362 nan 8.290 nan 0.000 0.550 277 L N 0.578 121.821 121.223 0.033 0.000 2.072 277 L HA 0.115 4.465 4.340 0.018 0.000 0.205 277 L C 2.653 179.519 176.870 -0.006 0.000 1.079 277 L CA 1.959 56.819 54.840 0.033 0.000 0.752 277 L CB -0.764 41.327 42.059 0.053 0.000 0.906 277 L HN 0.293 nan 8.230 nan 0.000 0.436 278 K N -0.485 119.885 120.400 -0.049 0.000 2.026 278 K HA -0.129 4.201 4.320 0.018 0.000 0.208 278 K C 1.893 178.414 176.600 -0.132 0.000 1.048 278 K CA 1.777 58.004 56.287 -0.100 0.000 0.929 278 K CB 0.072 32.475 32.500 -0.161 0.000 0.713 278 K HN 0.189 nan 8.250 nan 0.000 0.439 279 S N 0.086 115.668 115.700 -0.195 0.000 2.507 279 S HA -0.050 4.431 4.470 0.018 0.000 0.235 279 S C 1.616 176.201 174.600 -0.026 0.000 0.988 279 S CA 0.689 58.797 58.200 -0.152 0.000 0.944 279 S CB 0.263 63.346 63.200 -0.195 0.000 0.762 279 S HN 0.115 nan 8.310 nan 0.000 0.526 280 V N 0.609 120.531 119.914 0.013 0.000 3.052 280 V HA 0.094 4.225 4.120 0.018 0.000 0.254 280 V C 2.115 178.248 176.094 0.065 0.000 1.100 280 V CA 1.201 63.561 62.300 0.099 0.000 1.112 280 V CB 0.235 32.145 31.823 0.146 0.000 0.738 280 V HN 0.478 nan 8.190 nan 0.000 0.469 281 S N -0.830 114.883 115.700 0.022 0.000 2.556 281 S HA 0.029 4.510 4.470 0.018 0.000 0.216 281 S C 1.575 176.181 174.600 0.010 0.000 0.970 281 S CA 0.569 58.776 58.200 0.013 0.000 0.912 281 S CB 0.145 63.341 63.200 -0.006 0.000 0.790 281 S HN 0.809 nan 8.310 nan 0.000 0.504 282 Q N -0.598 119.205 119.800 0.004 0.000 2.586 282 Q HA 0.337 4.688 4.340 0.018 0.000 0.243 282 Q C 1.303 177.317 176.000 0.024 0.000 0.846 282 Q CA 0.118 55.923 55.803 0.004 0.000 0.959 282 Q CB -0.226 28.497 28.738 -0.024 0.000 1.227 282 Q HN 0.213 nan 8.270 nan 0.000 0.611 283 N N 0.890 119.606 118.700 0.027 0.000 2.258 283 N HA -0.013 4.738 4.740 0.018 0.000 0.183 283 N C 1.809 177.372 175.510 0.088 0.000 1.029 283 N CA 1.070 54.150 53.050 0.050 0.000 0.857 283 N CB 0.095 38.607 38.487 0.041 0.000 1.008 283 N HN -0.050 nan 8.380 nan 0.000 0.433 284 V N 1.428 121.409 119.914 0.112 0.000 2.515 284 V HA -0.104 4.026 4.120 0.018 0.000 0.250 284 V C 2.212 178.388 176.094 0.138 0.000 1.058 284 V CA 1.095 63.485 62.300 0.151 0.000 1.064 284 V CB -0.511 31.444 31.823 0.219 0.000 0.675 284 V HN 0.292 nan 8.190 nan 0.000 0.461 285 L N -0.187 121.107 121.223 0.119 0.000 1.948 285 L HA -0.085 4.266 4.340 0.018 0.000 0.212 285 L C 0.289 177.283 176.870 0.208 0.000 1.074 285 L CA 2.290 57.221 54.840 0.151 0.000 0.753 285 L CB -1.824 40.302 42.059 0.111 0.000 0.888 285 L HN 0.333 nan 8.230 nan 0.000 0.432 286 P HA -0.204 nan 4.420 nan 0.000 0.213 286 P C 2.003 179.376 177.300 0.122 0.000 1.170 286 P CA 1.528 64.692 63.100 0.108 0.000 0.902 286 P CB -0.046 31.695 31.700 0.068 0.000 0.789 287 L N -1.929 119.366 121.223 0.119 0.000 2.089 287 L HA -0.213 4.137 4.340 0.018 0.000 0.213 287 L C 2.446 179.419 176.870 0.171 0.000 1.079 287 L CA 1.125 56.039 54.840 0.123 0.000 0.758 287 L CB -1.020 41.105 42.059 0.110 0.000 0.891 287 L HN -0.004 nan 8.230 nan 0.000 0.433 288 L N -0.626 120.736 121.223 0.231 0.000 2.141 288 L HA -0.191 4.160 4.340 0.018 0.000 0.209 288 L C 2.517 179.689 176.870 0.503 0.000 1.094 288 L CA 1.606 56.659 54.840 0.356 0.000 0.763 288 L CB -0.459 41.815 42.059 0.360 0.000 0.908 288 L HN 0.260 nan 8.230 nan 0.000 0.437 289 Q N -1.756 118.233 119.800 0.315 0.000 2.311 289 Q HA -0.089 4.261 4.340 0.018 0.000 0.203 289 Q C 2.029 178.061 176.000 0.052 0.000 0.954 289 Q CA 0.916 56.703 55.803 -0.026 0.000 0.885 289 Q CB 0.232 28.790 28.738 -0.300 0.000 0.963 289 Q HN 0.456 nan 8.270 nan 0.000 0.471 290 S N 0.020 115.778 115.700 0.096 0.000 2.447 290 S HA -0.064 4.417 4.470 0.018 0.000 0.233 290 S C 1.685 176.335 174.600 0.082 0.000 1.006 290 S CA 0.797 59.036 58.200 0.065 0.000 0.957 290 S CB 0.035 63.279 63.200 0.072 0.000 0.773 290 S HN 0.481 nan 8.310 nan 0.000 0.507 291 A N -0.242 122.667 122.820 0.149 0.000 2.072 291 A HA 0.228 4.559 4.320 0.018 0.000 0.216 291 A C 1.562 179.114 177.584 -0.054 0.000 1.156 291 A CA 0.652 52.745 52.037 0.094 0.000 0.701 291 A CB -0.344 18.710 19.000 0.091 0.000 0.816 291 A HN 0.461 nan 8.150 nan 0.000 0.458 292 F N -0.169 119.753 119.950 -0.048 0.000 2.222 292 F HA 0.044 4.580 4.527 0.016 0.000 0.285 292 F C 1.883 177.597 175.800 -0.142 0.000 1.068 292 F CA 0.905 58.841 58.000 -0.106 0.000 1.265 292 F CB -0.299 38.582 39.000 -0.199 0.000 1.087 292 F HN 0.078 nan 8.300 nan 0.000 0.511 293 D N 0.712 121.135 120.400 0.039 0.000 2.239 293 D HA -0.172 4.479 4.640 0.018 0.000 0.202 293 D C 1.898 178.160 176.300 -0.064 0.000 0.993 293 D CA 0.962 54.934 54.000 -0.046 0.000 0.874 293 D CB -0.145 40.612 40.800 -0.070 0.000 0.922 293 D HN 0.212 nan 8.370 nan 0.000 0.464 294 L N -0.837 120.338 121.223 -0.081 0.000 2.452 294 L HA 0.105 4.455 4.340 0.018 0.000 0.194 294 L C 1.240 177.993 176.870 -0.195 0.000 1.251 294 L CA 0.355 55.096 54.840 -0.165 0.000 2.559 294 L CB 0.290 42.206 42.059 -0.239 0.000 2.362 294 L HN -0.095 nan 8.230 nan 0.000 1.086 295 N N -2.288 116.240 118.700 -0.286 0.000 1.903 295 N HA -0.054 4.696 4.740 0.018 0.000 0.220 295 N C 0.690 176.091 175.510 -0.181 0.000 1.427 295 N CA -0.046 52.865 53.050 -0.230 0.000 0.697 295 N CB 0.385 38.740 38.487 -0.219 0.000 1.097 295 N HN 0.155 nan 8.380 nan 0.000 0.564 296 F N 2.408 122.285 119.950 -0.121 0.000 2.664 296 F HA 0.095 4.636 4.527 0.024 0.000 0.297 296 F C 0.634 176.327 175.800 -0.180 0.000 1.164 296 F CA 1.029 58.955 58.000 -0.123 0.000 1.472 296 F CB -0.208 38.736 39.000 -0.094 0.000 1.108 296 F HN -0.028 nan 8.300 nan 0.000 0.596 297 T N -1.818 112.666 114.554 -0.117 0.000 3.193 297 T HA 0.326 4.687 4.350 0.018 0.000 0.332 297 T C -2.962 171.548 174.700 -0.316 0.000 1.208 297 T CA -1.832 60.110 62.100 -0.264 0.000 1.080 297 T CB 2.252 70.827 68.868 -0.489 0.000 1.180 297 T HN -0.354 nan 8.240 nan 0.000 0.469 298 P HA 0.179 nan 4.420 nan 0.000 0.265 298 P C 0.521 177.740 177.300 -0.135 0.000 1.187 298 P CA -0.275 62.748 63.100 -0.129 0.000 0.766 298 P CB 1.037 32.693 31.700 -0.072 0.000 0.820 299 R N 0.644 121.128 120.500 -0.027 0.000 2.153 299 R HA 0.005 4.356 4.340 0.018 0.000 0.218 299 R C 0.530 176.849 176.300 0.032 0.000 1.072 299 R CA 1.010 57.180 56.100 0.117 0.000 0.990 299 R CB 0.215 30.575 30.300 0.100 0.000 0.889 299 R HN 0.587 nan 8.270 nan 0.000 0.452 300 E N -0.791 119.376 120.200 -0.055 0.000 2.317 300 E HA 0.265 4.625 4.350 0.018 0.000 0.270 300 E C -1.380 175.166 176.600 -0.090 0.000 0.885 300 E CA -0.627 55.715 56.400 -0.097 0.000 0.760 300 E CB 1.212 30.909 29.700 -0.005 0.000 1.227 300 E HN -0.179 nan 8.360 nan 0.000 0.434 301 F N 1.861 121.845 119.950 0.056 0.000 2.471 301 F HA 0.126 4.662 4.527 0.015 0.000 0.353 301 F C 1.391 177.224 175.800 0.054 0.000 1.113 301 F CA 0.193 58.221 58.000 0.047 0.000 1.262 301 F CB 0.654 39.676 39.000 0.037 0.000 1.146 301 F HN 0.504 nan 8.300 nan 0.000 0.578 302 D N -0.056 120.491 120.400 0.245 0.000 2.392 302 D HA 0.056 4.706 4.640 0.018 0.000 0.206 302 D C 0.147 176.524 176.300 0.128 0.000 1.046 302 D CA 0.666 54.754 54.000 0.148 0.000 0.865 302 D CB 0.494 41.351 40.800 0.095 0.000 0.969 302 D HN 0.470 nan 8.370 nan 0.000 0.509 303 S N -1.371 114.423 115.700 0.156 0.000 2.615 303 S HA 0.277 4.757 4.470 0.018 0.000 0.269 303 S C 0.257 174.980 174.600 0.204 0.000 1.161 303 S CA -0.671 57.598 58.200 0.115 0.000 0.817 303 S CB 0.572 63.802 63.200 0.051 0.000 1.131 303 S HN -0.240 nan 8.310 nan 0.000 0.467 304 F N 1.866 121.779 119.950 -0.062 0.000 2.234 304 F HA 0.007 4.545 4.527 0.018 0.000 0.299 304 F C 2.026 177.683 175.800 -0.238 0.000 1.087 304 F CA 0.815 58.709 58.000 -0.178 0.000 1.340 304 F CB -1.027 37.906 39.000 -0.112 0.000 1.031 304 F HN 0.635 nan 8.300 nan 0.000 0.500 305 D N -0.076 120.402 120.400 0.130 0.000 2.218 305 D HA -0.179 4.472 4.640 0.018 0.000 0.204 305 D C 1.899 178.234 176.300 0.058 0.000 0.976 305 D CA 0.963 55.037 54.000 0.124 0.000 0.853 305 D CB -0.274 40.595 40.800 0.115 0.000 0.939 305 D HN 0.429 nan 8.370 nan 0.000 0.481 306 E N 0.280 120.502 120.200 0.036 0.000 2.152 306 E HA -0.075 4.286 4.350 0.018 0.000 0.192 306 E C 2.261 178.796 176.600 -0.108 0.000 0.983 306 E CA 0.184 56.618 56.400 0.057 0.000 0.818 306 E CB 0.392 30.211 29.700 0.199 0.000 0.758 306 E HN 0.056 nan 8.360 nan 0.000 0.467 307 V N 0.807 120.492 119.914 -0.380 0.000 2.379 307 V HA -0.207 3.923 4.120 0.018 0.000 0.245 307 V C 2.000 177.789 176.094 -0.509 0.000 1.044 307 V CA 1.515 63.378 62.300 -0.727 0.000 1.036 307 V CB -0.514 30.795 31.823 -0.857 0.000 0.664 307 V HN 0.322 nan 8.190 nan 0.000 0.453 308 H N 0.861 119.783 119.070 -0.247 0.000 2.421 308 H HA -0.073 4.493 4.556 0.017 0.000 0.298 308 H C 2.380 177.574 175.328 -0.224 0.000 1.087 308 H CA 1.366 57.319 56.048 -0.158 0.000 1.330 308 H CB -0.715 29.055 29.762 0.013 0.000 1.388 308 H HN 0.469 nan 8.280 nan 0.000 0.526 309 G N 0.301 109.075 108.800 -0.044 0.000 2.708 309 G HA2 -0.142 3.829 3.960 0.018 0.000 0.210 309 G HA3 -0.142 3.829 3.960 0.018 0.000 0.210 309 G C 1.645 176.481 174.900 -0.107 0.000 1.141 309 G CA 0.005 45.087 45.100 -0.031 0.000 0.788 309 G HN 0.205 nan 8.290 nan 0.000 0.531 310 L N -0.217 120.797 121.223 -0.348 0.000 2.141 310 L HA 0.101 4.452 4.340 0.018 0.000 0.209 310 L C 2.042 178.809 176.870 -0.171 0.000 1.094 310 L CA 1.081 55.722 54.840 -0.331 0.000 0.763 310 L CB -0.778 40.884 42.059 -0.661 0.000 0.908 310 L HN 0.519 nan 8.230 nan 0.000 0.437 311 Y N -3.054 117.350 120.300 0.173 0.000 2.457 311 Y HA 0.217 4.776 4.550 0.014 0.000 0.263 311 Y C 2.077 178.043 175.900 0.110 0.000 1.164 311 Y CA -0.095 58.106 58.100 0.167 0.000 1.274 311 Y CB -0.016 38.531 38.460 0.144 0.000 1.097 311 Y HN -0.014 nan 8.280 nan 0.000 0.523 312 S N -0.034 115.750 115.700 0.140 0.000 2.860 312 S HA 0.142 4.623 4.470 0.018 0.000 0.181 312 S C 2.142 176.785 174.600 0.072 0.000 0.763 312 S CA 0.475 58.735 58.200 0.101 0.000 0.829 312 S CB -0.729 62.516 63.200 0.075 0.000 0.793 312 S HN 0.469 nan 8.310 nan 0.000 0.614 313 G N 0.313 109.143 108.800 0.050 0.000 2.395 313 G HA2 0.429 4.400 3.960 0.018 0.000 0.214 313 G HA3 0.429 4.400 3.960 0.018 0.000 0.214 313 G C 0.666 175.588 174.900 0.037 0.000 1.177 313 G CA 0.527 45.650 45.100 0.037 0.000 0.794 313 G HN 1.116 nan 8.290 nan 0.000 0.532 314 G N -0.622 108.205 108.800 0.045 0.000 2.690 314 G HA2 -0.096 3.875 3.960 0.018 0.000 0.686 314 G HA3 -0.096 3.875 3.960 0.018 0.000 0.686 314 G C -0.025 174.908 174.900 0.055 0.000 1.277 314 G CA -0.312 44.825 45.100 0.063 0.000 0.799 314 G HN 1.035 nan 8.290 nan 0.000 0.613 315 I N 0.934 121.556 120.570 0.087 0.000 2.818 315 I HA 0.162 4.343 4.170 0.018 0.000 0.285 315 I C 1.004 177.128 176.117 0.011 0.000 1.160 315 I CA -0.051 61.288 61.300 0.066 0.000 1.370 315 I CB -0.173 37.894 38.000 0.112 0.000 1.440 315 I HN 0.424 nan 8.210 nan 0.000 0.555 316 K N 6.611 127.007 120.400 -0.006 0.000 2.453 316 K HA 0.103 4.434 4.320 0.018 0.000 0.280 316 K C -0.738 175.830 176.600 -0.053 0.000 1.045 316 K CA -0.055 56.212 56.287 -0.032 0.000 1.059 316 K CB 0.473 32.953 32.500 -0.033 0.000 0.901 316 K HN 0.489 nan 8.250 nan 0.000 0.475 317 L N 6.747 127.932 121.223 -0.064 0.000 2.354 317 L HA 0.431 4.781 4.340 0.018 0.000 0.269 317 L C -2.317 174.471 176.870 -0.136 0.000 1.005 317 L CA -2.369 52.428 54.840 -0.070 0.000 0.819 317 L CB 1.804 43.846 42.059 -0.029 0.000 1.311 317 L HN 0.466 nan 8.230 nan 0.000 0.423 318 P HA 0.006 nan 4.420 nan 0.000 0.264 318 P C 0.324 177.511 177.300 -0.189 0.000 1.179 318 P CA 0.208 63.085 63.100 -0.371 0.000 0.763 318 P CB 0.339 31.799 31.700 -0.402 0.000 0.806 319 T N 1.793 116.230 114.554 -0.196 0.000 2.720 319 T HA -0.188 4.172 4.350 0.018 0.000 0.268 319 T C 0.949 175.615 174.700 -0.056 0.000 1.037 319 T CA 2.337 64.374 62.100 -0.104 0.000 1.144 319 T CB -0.838 67.972 68.868 -0.096 0.000 0.864 319 T HN 0.533 nan 8.240 nan 0.000 0.444 320 D N 1.184 121.554 120.400 -0.050 0.000 2.126 320 D HA -0.111 4.540 4.640 0.018 0.000 0.190 320 D C 1.952 178.262 176.300 0.017 0.000 1.001 320 D CA 1.104 55.103 54.000 -0.001 0.000 0.841 320 D CB -0.405 40.413 40.800 0.030 0.000 0.949 320 D HN 0.372 nan 8.370 nan 0.000 0.446 321 I N -0.019 120.563 120.570 0.021 0.000 2.163 321 I HA -0.194 3.986 4.170 0.018 0.000 0.240 321 I C 2.160 178.298 176.117 0.035 0.000 1.081 321 I CA 0.619 61.944 61.300 0.043 0.000 1.353 321 I CB -0.245 37.790 38.000 0.059 0.000 1.054 321 I HN -0.026 nan 8.210 nan 0.000 0.407 322 I N 0.983 121.559 120.570 0.010 0.000 2.623 322 I HA -0.265 3.916 4.170 0.018 0.000 0.261 322 I C 2.359 178.490 176.117 0.024 0.000 1.204 322 I CA 1.394 62.702 61.300 0.012 0.000 1.444 322 I CB -0.274 37.718 38.000 -0.014 0.000 1.094 322 I HN 0.133 nan 8.210 nan 0.000 0.451 323 S N -0.186 115.526 115.700 0.020 0.000 2.446 323 S HA -0.060 4.421 4.470 0.018 0.000 0.225 323 S C 1.748 176.371 174.600 0.037 0.000 1.016 323 S CA 0.682 58.896 58.200 0.023 0.000 0.943 323 S CB -0.079 63.130 63.200 0.016 0.000 0.786 323 S HN 0.520 nan 8.310 nan 0.000 0.508 324 K N 1.943 122.371 120.400 0.046 0.000 2.121 324 K HA 0.216 4.547 4.320 0.018 0.000 0.203 324 K C 1.285 177.931 176.600 0.077 0.000 1.041 324 K CA 0.605 56.926 56.287 0.056 0.000 0.969 324 K CB -0.545 31.989 32.500 0.057 0.000 0.799 324 K HN 0.464 nan 8.250 nan 0.000 0.456 325 I N -0.774 119.856 120.570 0.100 0.000 3.425 325 I HA 0.207 4.387 4.170 0.018 0.000 0.298 325 I C 0.750 176.985 176.117 0.196 0.000 1.278 325 I CA 0.054 61.450 61.300 0.161 0.000 1.475 325 I CB 0.497 38.604 38.000 0.179 0.000 1.283 325 I HN 0.029 nan 8.210 nan 0.000 0.540 326 S N 1.652 117.428 115.700 0.127 0.000 3.364 326 S HA 0.271 4.751 4.470 0.018 0.000 0.257 326 S C -0.930 173.706 174.600 0.060 0.000 1.098 326 S CA 0.294 58.561 58.200 0.111 0.000 0.888 326 S CB -0.229 63.018 63.200 0.079 0.000 0.925 326 S HN 0.461 nan 8.310 nan 0.000 0.442 327 P HA 0.171 nan 4.420 nan 0.000 0.219 327 P C 0.646 177.959 177.300 0.023 0.000 1.154 327 P CA 0.277 63.395 63.100 0.030 0.000 0.826 327 P CB -0.687 31.030 31.700 0.029 0.000 0.795 328 L N -0.046 121.195 121.223 0.030 0.000 2.640 328 L HA 0.120 4.470 4.340 0.018 0.000 0.300 328 L C -2.167 174.715 176.870 0.020 0.000 1.259 328 L CA -1.401 53.459 54.840 0.033 0.000 0.879 328 L CB -1.659 40.424 42.059 0.040 0.000 1.125 328 L HN -0.081 nan 8.230 nan 0.000 0.507 329 P HA 0.008 nan 4.420 nan 0.000 0.264 329 P C 0.883 178.210 177.300 0.045 0.000 1.183 329 P CA 0.040 63.160 63.100 0.033 0.000 0.763 329 P CB 1.259 32.965 31.700 0.009 0.000 0.807 330 V N 1.547 121.468 119.914 0.013 0.000 0.414 330 V HA -0.292 3.839 4.120 0.018 0.000 0.092 330 V C 1.641 177.662 176.094 -0.122 0.000 2.653 330 V CA 1.886 64.184 62.300 -0.003 0.000 3.769 330 V CB -1.796 30.075 31.823 0.079 0.000 1.032 330 V HN 0.432 nan 8.190 nan 0.000 1.086 331 L N 1.345 122.436 121.223 -0.220 0.000 2.869 331 L HA 0.124 4.475 4.340 0.018 0.000 0.259 331 L C 0.924 177.581 176.870 -0.355 0.000 1.162 331 L CA 1.394 55.908 54.840 -0.543 0.000 0.975 331 L CB -1.717 39.953 42.059 -0.648 0.000 1.217 331 L HN 0.503 nan 8.230 nan 0.000 0.418 332 K N 0.006 120.308 120.400 -0.163 0.000 2.118 332 K HA 0.268 4.599 4.320 0.018 0.000 0.254 332 K C 0.705 177.280 176.600 -0.041 0.000 0.961 332 K CA -0.446 55.804 56.287 -0.062 0.000 0.876 332 K CB 1.449 33.934 32.500 -0.026 0.000 1.077 332 K HN 0.141 nan 8.250 nan 0.000 0.440 333 E N 0.370 120.571 120.200 0.002 0.000 4.807 333 E HA -0.395 3.966 4.350 0.018 0.000 0.171 333 E C 1.260 177.877 176.600 0.028 0.000 1.266 333 E CA 1.797 58.206 56.400 0.015 0.000 2.327 333 E CB -1.135 28.569 29.700 0.007 0.000 1.829 333 E HN 0.673 nan 8.360 nan 0.000 0.414 334 I N 0.621 121.193 120.570 0.004 0.000 2.248 334 I HA -0.176 4.005 4.170 0.018 0.000 0.248 334 I C 0.555 176.804 176.117 0.220 0.000 1.107 334 I CA 1.543 62.868 61.300 0.041 0.000 1.373 334 I CB -0.020 37.948 38.000 -0.053 0.000 1.055 334 I HN 0.009 nan 8.210 nan 0.000 0.418 335 F N 3.441 123.342 119.950 -0.083 0.000 2.425 335 F HA 0.347 4.874 4.527 -0.001 0.000 0.354 335 F C 0.649 176.369 175.800 -0.133 0.000 1.162 335 F CA -0.989 56.924 58.000 -0.146 0.000 1.250 335 F CB -0.545 38.395 39.000 -0.101 0.000 1.579 335 F HN -0.101 nan 8.300 nan 0.000 0.589 336 R N 1.602 122.106 120.500 0.008 0.000 2.480 336 R HA 0.147 4.498 4.340 0.018 0.000 0.303 336 R C 0.014 176.294 176.300 -0.033 0.000 0.985 336 R CA 0.480 56.574 56.100 -0.011 0.000 1.051 336 R CB 0.186 30.477 30.300 -0.016 0.000 0.935 336 R HN 0.340 nan 8.270 nan 0.000 0.410 337 T N 1.391 115.945 114.554 0.000 0.000 2.887 337 T HA 0.094 4.455 4.350 0.018 0.000 0.288 337 T C -0.192 174.508 174.700 -0.001 0.000 1.021 337 T CA -0.676 61.421 62.100 -0.006 0.000 1.000 337 T CB 1.803 70.679 68.868 0.014 0.000 1.034 337 T HN 0.449 nan 8.240 nan 0.000 0.467 338 D N 0.565 120.961 120.400 -0.006 0.000 3.163 338 D HA 0.458 5.109 4.640 0.018 0.000 0.284 338 D C 1.410 177.708 176.300 -0.003 0.000 1.368 338 D CA 0.705 54.705 54.000 -0.001 0.000 0.895 338 D CB -0.756 40.043 40.800 -0.001 0.000 1.061 338 D HN 0.800 nan 8.370 nan 0.000 0.496 339 G N 1.120 109.920 108.800 0.000 0.000 4.655 339 G HA2 -0.331 3.640 3.960 0.018 0.000 0.220 339 G HA3 -0.331 3.640 3.960 0.018 0.000 0.220 339 G C 0.364 175.261 174.900 -0.006 0.000 1.403 339 G CA 0.540 45.640 45.100 -0.001 0.000 0.931 339 G HN 0.539 nan 8.290 nan 0.000 0.654 340 E N -0.907 119.285 120.200 -0.014 0.000 2.429 340 E HA 0.581 4.941 4.350 0.018 0.000 0.276 340 E C 0.953 177.532 176.600 -0.035 0.000 0.953 340 E CA 0.121 56.507 56.400 -0.024 0.000 0.787 340 E CB 0.984 30.666 29.700 -0.030 0.000 1.307 340 E HN 0.441 nan 8.360 nan 0.000 0.458 341 Q N -0.852 118.918 119.800 -0.050 0.000 1.920 341 Q HA -0.351 4.000 4.340 0.018 0.000 0.239 341 Q C 0.211 176.183 176.000 -0.047 0.000 2.739 341 Q CA 1.786 57.551 55.803 -0.063 0.000 0.504 341 Q CB -2.182 26.514 28.738 -0.069 0.000 0.891 341 Q HN 0.781 nan 8.270 nan 0.000 0.524 342 A N 1.723 124.522 122.820 -0.036 0.000 2.616 342 A HA 0.185 4.516 4.320 0.018 0.000 0.234 342 A C 0.347 177.904 177.584 -0.045 0.000 1.024 342 A CA 1.024 53.044 52.037 -0.028 0.000 0.758 342 A CB -0.061 18.930 19.000 -0.015 0.000 0.939 342 A HN 0.387 nan 8.150 nan 0.000 0.510 343 L N 3.109 124.297 121.223 -0.058 0.000 2.594 343 L HA 0.300 4.651 4.340 0.018 0.000 0.245 343 L C 0.068 176.826 176.870 -0.187 0.000 1.460 343 L CA -0.088 54.666 54.840 -0.143 0.000 0.865 343 L CB 0.302 42.268 42.059 -0.154 0.000 1.131 343 L HN 0.726 nan 8.230 nan 0.000 0.506 344 K N 1.438 121.764 120.400 -0.125 0.000 2.380 344 K HA 0.283 4.614 4.320 0.018 0.000 0.267 344 K C -0.903 175.594 176.600 -0.172 0.000 0.990 344 K CA 0.234 56.493 56.287 -0.045 0.000 0.946 344 K CB 0.653 33.166 32.500 0.022 0.000 0.937 344 K HN 0.150 nan 8.250 nan 0.000 0.491 345 F N 1.760 121.818 119.950 0.180 0.000 2.532 345 F HA 0.277 4.826 4.527 0.036 0.000 0.321 345 F C -1.960 174.043 175.800 0.339 0.000 1.089 345 F CA -2.542 55.630 58.000 0.287 0.000 0.926 345 F CB 1.675 40.942 39.000 0.445 0.000 1.168 345 F HN 0.359 nan 8.300 nan 0.000 0.459 346 P HA 0.089 nan 4.420 nan 0.000 0.268 346 P C -2.714 174.716 177.300 0.217 0.000 1.205 346 P CA -1.316 61.922 63.100 0.231 0.000 0.771 346 P CB 0.018 31.768 31.700 0.083 0.000 0.858 347 P HA 0.157 nan 4.420 nan 0.000 0.271 347 P C -2.320 174.850 177.300 -0.217 0.000 1.233 347 P CA -1.651 61.300 63.100 -0.248 0.000 0.764 347 P CB -0.661 30.999 31.700 -0.068 0.000 0.825 348 P HA 0.061 nan 4.420 nan 0.000 0.269 348 P C 1.021 178.167 177.300 -0.255 0.000 1.209 348 P CA -0.048 62.867 63.100 -0.308 0.000 0.776 348 P CB 1.023 32.352 31.700 -0.618 0.000 0.876 349 K N 1.427 121.685 120.400 -0.237 0.000 2.281 349 K HA -0.100 4.230 4.320 0.018 0.000 0.203 349 K C 1.676 178.108 176.600 -0.281 0.000 1.046 349 K CA 0.751 56.873 56.287 -0.275 0.000 0.938 349 K CB -0.322 31.930 32.500 -0.414 0.000 0.737 349 K HN 0.169 nan 8.250 nan 0.000 0.458 350 V N 1.917 121.654 119.914 -0.294 0.000 2.490 350 V HA -0.158 3.973 4.120 0.018 0.000 0.250 350 V C 1.552 177.606 176.094 -0.067 0.000 1.061 350 V CA 1.592 63.789 62.300 -0.171 0.000 1.064 350 V CB -0.214 31.540 31.823 -0.115 0.000 0.670 350 V HN 0.390 nan 8.190 nan 0.000 0.461 351 I N -2.475 118.039 120.570 -0.093 0.000 4.009 351 I HA 0.203 4.383 4.170 0.018 0.000 0.331 351 I C 1.617 177.703 176.117 -0.052 0.000 1.462 351 I CA 0.425 61.713 61.300 -0.020 0.000 1.117 351 I CB -0.469 37.550 38.000 0.032 0.000 1.091 351 I HN 0.286 nan 8.210 nan 0.000 0.410 352 Q N 0.933 120.686 119.800 -0.078 0.000 2.084 352 Q HA -0.065 4.285 4.340 0.018 0.000 0.202 352 Q C 2.114 178.090 176.000 -0.040 0.000 0.978 352 Q CA 1.987 57.751 55.803 -0.064 0.000 0.844 352 Q CB 0.351 29.043 28.738 -0.076 0.000 0.898 352 Q HN 0.553 nan 8.270 nan 0.000 0.426 353 V N -0.600 119.295 119.914 -0.033 0.000 2.436 353 V HA 0.003 4.134 4.120 0.018 0.000 0.240 353 V C 0.930 177.019 176.094 -0.008 0.000 1.040 353 V CA 0.798 63.087 62.300 -0.018 0.000 1.052 353 V CB 0.784 32.600 31.823 -0.013 0.000 0.707 353 V HN 0.072 nan 8.190 nan 0.000 0.469 354 S N -0.212 115.491 115.700 0.005 0.000 2.756 354 S HA 0.342 4.822 4.470 0.018 0.000 0.303 354 S C 0.292 174.925 174.600 0.055 0.000 1.135 354 S CA -0.761 57.451 58.200 0.019 0.000 1.066 354 S CB 1.079 64.293 63.200 0.022 0.000 1.008 354 S HN 0.413 nan 8.310 nan 0.000 0.482 355 K N 2.352 122.778 120.400 0.044 0.000 2.551 355 K HA 0.072 4.403 4.320 0.018 0.000 0.192 355 K C 1.228 177.982 176.600 0.257 0.000 1.027 355 K CA 0.689 57.049 56.287 0.121 0.000 1.059 355 K CB 0.024 32.462 32.500 -0.102 0.000 0.831 355 K HN 0.589 nan 8.250 nan 0.000 0.508 356 S N -0.941 114.827 115.700 0.113 0.000 2.589 356 S HA 0.235 4.715 4.470 0.018 0.000 0.235 356 S C 1.959 176.454 174.600 -0.175 0.000 1.051 356 S CA -0.071 58.106 58.200 -0.038 0.000 0.978 356 S CB 0.484 63.662 63.200 -0.036 0.000 0.929 356 S HN 0.210 nan 8.310 nan 0.000 0.523 357 A N 2.466 125.270 122.820 -0.027 0.000 2.125 357 A HA 0.007 4.338 4.320 0.018 0.000 0.219 357 A C 1.864 179.459 177.584 0.019 0.000 1.156 357 A CA 1.070 53.099 52.037 -0.012 0.000 0.671 357 A CB -1.260 17.769 19.000 0.048 0.000 0.794 357 A HN 0.919 nan 8.150 nan 0.000 0.459 358 W N -0.493 120.817 121.300 0.017 0.000 2.465 358 W HA -0.085 4.586 4.660 0.019 0.000 0.268 358 W C 1.193 177.719 176.519 0.011 0.000 1.242 358 W CA 1.012 58.365 57.345 0.014 0.000 1.248 358 W CB -0.862 28.589 29.460 -0.016 0.000 1.118 358 W HN 0.293 nan 8.180 nan 0.000 0.587 359 M N 1.401 120.552 119.600 -0.748 0.000 2.619 359 M HA 0.039 4.530 4.480 0.018 0.000 0.251 359 M C 0.395 176.548 176.300 -0.245 0.000 1.106 359 M CA 0.829 55.685 55.300 -0.741 0.000 1.086 359 M CB -1.049 31.012 32.600 -0.899 0.000 1.465 359 M HN -0.300 nan 8.290 nan 0.000 0.506 360 T N 1.706 116.195 114.554 -0.108 0.000 2.888 360 T HA -0.003 4.357 4.350 0.018 0.000 0.301 360 T C 0.640 175.405 174.700 0.109 0.000 1.001 360 T CA -0.203 61.900 62.100 0.006 0.000 1.147 360 T CB 0.916 69.802 68.868 0.030 0.000 0.931 360 T HN 0.145 nan 8.240 nan 0.000 0.541 361 D N 2.116 122.605 120.400 0.149 0.000 2.178 361 D HA -0.070 4.581 4.640 0.018 0.000 0.201 361 D C 1.895 178.353 176.300 0.264 0.000 0.980 361 D CA 0.962 55.120 54.000 0.264 0.000 0.842 361 D CB 0.086 41.055 40.800 0.281 0.000 0.948 361 D HN 0.564 nan 8.370 nan 0.000 0.472 362 E N 0.383 120.678 120.200 0.159 0.000 2.058 362 E HA -0.181 4.179 4.350 0.018 0.000 0.194 362 E C 1.903 178.568 176.600 0.108 0.000 0.997 362 E CA 1.047 57.515 56.400 0.113 0.000 0.801 362 E CB -0.203 29.539 29.700 0.071 0.000 0.746 362 E HN 0.189 nan 8.360 nan 0.000 0.450 363 E N -0.240 120.035 120.200 0.125 0.000 2.152 363 E HA -0.107 4.254 4.350 0.018 0.000 0.192 363 E C 1.654 178.330 176.600 0.127 0.000 0.983 363 E CA 0.469 56.941 56.400 0.119 0.000 0.818 363 E CB -0.337 29.451 29.700 0.146 0.000 0.758 363 E HN 0.284 nan 8.360 nan 0.000 0.467 364 F N 0.641 120.616 119.950 0.041 0.000 2.102 364 F HA -0.106 4.431 4.527 0.017 0.000 0.298 364 F C 1.985 177.782 175.800 -0.005 0.000 1.105 364 F CA 1.959 59.973 58.000 0.025 0.000 1.239 364 F CB -0.659 38.365 39.000 0.040 0.000 0.991 364 F HN 0.091 nan 8.300 nan 0.000 0.474 365 A N 0.575 123.374 122.820 -0.035 0.000 1.968 365 A HA -0.066 4.265 4.320 0.018 0.000 0.217 365 A C 2.403 179.865 177.584 -0.203 0.000 1.169 365 A CA 0.943 52.877 52.037 -0.172 0.000 0.638 365 A CB -0.713 18.302 19.000 0.024 0.000 0.812 365 A HN 0.373 nan 8.150 nan 0.000 0.446 366 R N 0.221 120.651 120.500 -0.117 0.000 2.083 366 R HA -0.144 4.207 4.340 0.018 0.000 0.237 366 R C 1.602 177.801 176.300 -0.170 0.000 1.137 366 R CA 1.765 57.796 56.100 -0.115 0.000 0.951 366 R CB -0.374 29.910 30.300 -0.027 0.000 0.851 366 R HN 0.680 nan 8.270 nan 0.000 0.434 367 E N -0.195 119.878 120.200 -0.212 0.000 2.463 367 E HA -0.144 4.217 4.350 0.018 0.000 0.201 367 E C 1.675 178.089 176.600 -0.310 0.000 1.045 367 E CA 0.603 56.811 56.400 -0.319 0.000 0.872 367 E CB 0.001 29.453 29.700 -0.414 0.000 0.797 367 E HN 0.399 nan 8.360 nan 0.000 0.538 368 M N -0.346 119.069 119.600 -0.308 0.000 2.514 368 M HA 0.025 4.516 4.480 0.018 0.000 0.258 368 M C 1.584 177.714 176.300 -0.283 0.000 1.119 368 M CA 0.796 55.919 55.300 -0.294 0.000 1.111 368 M CB 0.398 32.803 32.600 -0.325 0.000 1.390 368 M HN 0.129 nan 8.290 nan 0.000 0.475 369 L N -1.676 119.373 121.223 -0.291 0.000 2.717 369 L HA 0.323 4.674 4.340 0.018 0.000 0.239 369 L C 1.482 178.316 176.870 -0.060 0.000 1.086 369 L CA 0.023 54.667 54.840 -0.327 0.000 0.897 369 L CB 0.280 42.026 42.059 -0.522 0.000 1.214 369 L HN 0.112 nan 8.230 nan 0.000 0.508 370 A N -0.248 122.503 122.820 -0.115 0.000 2.661 370 A HA 0.567 4.898 4.320 0.018 0.000 0.278 370 A C 0.793 178.453 177.584 0.127 0.000 1.090 370 A CA 0.266 52.230 52.037 -0.121 0.000 0.969 370 A CB -0.075 18.834 19.000 -0.151 0.000 1.240 370 A HN 0.208 nan 8.150 nan 0.000 0.578 371 G N -0.973 107.771 108.800 -0.092 0.000 2.531 371 G HA2 0.353 4.324 3.960 0.018 0.000 0.253 371 G HA3 0.353 4.324 3.960 0.018 0.000 0.253 371 G C 1.015 175.865 174.900 -0.084 0.000 1.439 371 G CA 0.520 45.406 45.100 -0.357 0.000 1.056 371 G HN 0.386 nan 8.290 nan 0.000 0.555 372 V N -0.129 119.646 119.914 -0.231 0.000 2.809 372 V HA 0.052 4.182 4.120 0.018 0.000 0.256 372 V C 0.711 176.667 176.094 -0.231 0.000 1.080 372 V CA 1.701 63.912 62.300 -0.148 0.000 1.102 372 V CB -0.336 31.305 31.823 -0.303 0.000 0.705 372 V HN 0.553 nan 8.190 nan 0.000 0.475 373 N N 0.163 118.736 118.700 -0.212 0.000 2.750 373 N HA 0.340 5.091 4.740 0.018 0.000 0.253 373 N C -2.595 172.860 175.510 -0.092 0.000 1.408 373 N CA -1.223 51.794 53.050 -0.055 0.000 0.780 373 N CB 1.580 40.074 38.487 0.012 0.000 1.191 373 N HN 0.178 nan 8.380 nan 0.000 0.511 374 P HA 0.319 nan 4.420 nan 0.000 0.262 374 P C -0.121 177.121 177.300 -0.097 0.000 1.651 374 P CA 0.058 63.086 63.100 -0.121 0.000 1.119 374 P CB 0.470 32.130 31.700 -0.067 0.000 1.552 375 N N -0.525 118.114 118.700 -0.103 0.000 2.250 375 N HA 0.062 4.813 4.740 0.018 0.000 0.190 375 N C 1.167 176.721 175.510 0.073 0.000 1.116 375 N CA 0.127 53.174 53.050 -0.004 0.000 0.881 375 N CB -0.235 38.248 38.487 -0.007 0.000 1.006 375 N HN -0.048 nan 8.380 nan 0.000 0.491 376 L N 0.853 122.087 121.223 0.018 0.000 2.202 376 L HA 0.368 4.719 4.340 0.018 0.000 0.205 376 L C 0.571 177.415 176.870 -0.044 0.000 1.083 376 L CA 0.341 55.156 54.840 -0.041 0.000 0.790 376 L CB -0.615 41.348 42.059 -0.160 0.000 0.942 376 L HN 0.148 nan 8.230 nan 0.000 0.452 377 I N 1.138 121.683 120.570 -0.041 0.000 2.996 377 I HA -0.156 4.024 4.170 0.018 0.000 0.311 377 I C 0.188 176.344 176.117 0.066 0.000 1.219 377 I CA 0.741 62.028 61.300 -0.022 0.000 1.452 377 I CB 0.046 37.980 38.000 -0.110 0.000 1.319 377 I HN 0.229 nan 8.210 nan 0.000 0.564 378 R N 5.827 126.392 120.500 0.107 0.000 2.854 378 R HA 0.453 4.803 4.340 0.018 0.000 0.271 378 R C -1.391 175.039 176.300 0.216 0.000 0.994 378 R CA -0.886 55.297 56.100 0.137 0.000 0.945 378 R CB 1.684 32.026 30.300 0.070 0.000 1.194 378 R HN 0.639 nan 8.270 nan 0.000 0.476 379 C N 3.126 122.517 119.300 0.152 0.000 2.285 379 C HA 0.337 4.807 4.460 0.018 0.000 0.335 379 C C 0.139 175.088 174.990 -0.068 0.000 1.267 379 C CA -0.641 58.359 59.018 -0.030 0.000 1.762 379 C CB -0.479 27.237 27.740 -0.040 0.000 2.365 379 C HN 0.579 nan 8.230 nan 0.000 0.527 380 L N 7.052 128.206 121.223 -0.115 0.000 2.513 380 L HA 0.191 4.541 4.340 0.018 0.000 0.272 380 L C 1.365 178.212 176.870 -0.039 0.000 1.187 380 L CA 0.995 55.815 54.840 -0.033 0.000 0.895 380 L CB 0.383 42.447 42.059 0.008 0.000 1.147 380 L HN 0.692 nan 8.230 nan 0.000 0.483 381 K N 2.349 122.748 120.400 -0.002 0.000 2.276 381 K HA 0.201 4.532 4.320 0.018 0.000 0.198 381 K C -0.112 176.499 176.600 0.019 0.000 1.052 381 K CA 0.471 56.756 56.287 -0.003 0.000 0.984 381 K CB 0.486 32.986 32.500 -0.001 0.000 0.836 381 K HN 0.744 nan 8.250 nan 0.000 0.490 382 D N -1.095 119.335 120.400 0.050 0.000 2.744 382 D HA 0.346 4.997 4.640 0.018 0.000 0.304 382 D C -1.072 175.346 176.300 0.195 0.000 1.179 382 D CA -0.639 53.413 54.000 0.086 0.000 1.024 382 D CB 1.404 42.231 40.800 0.046 0.000 1.453 382 D HN -0.179 nan 8.370 nan 0.000 0.529 383 F N 0.452 120.391 119.950 -0.018 0.000 2.635 383 F HA 0.391 4.928 4.527 0.018 0.000 0.314 383 F C -2.695 173.101 175.800 -0.007 0.000 1.119 383 F CA -1.157 56.839 58.000 -0.008 0.000 1.000 383 F CB 1.765 40.762 39.000 -0.004 0.000 1.278 383 F HN 0.081 nan 8.300 nan 0.000 0.446 384 P HA 0.449 nan 4.420 nan 0.000 0.278 384 P C -2.871 174.221 177.300 -0.346 0.000 1.258 384 P CA -1.696 60.851 63.100 -0.922 0.000 0.811 384 P CB 0.122 31.319 31.700 -0.838 0.000 1.063 385 P HA 0.100 nan 4.420 nan 0.000 0.265 385 P C -0.018 177.221 177.300 -0.102 0.000 1.193 385 P CA 0.257 63.298 63.100 -0.097 0.000 0.765 385 P CB 0.486 32.160 31.700 -0.042 0.000 0.823 386 R N 1.348 121.810 120.500 -0.063 0.000 2.523 386 R HA 0.764 5.114 4.340 0.018 0.000 0.229 386 R C 0.301 176.608 176.300 0.011 0.000 1.265 386 R CA -0.833 55.237 56.100 -0.050 0.000 1.081 386 R CB 0.034 30.298 30.300 -0.061 0.000 1.540 386 R HN 0.405 nan 8.270 nan 0.000 0.560 387 S N -1.287 114.442 115.700 0.049 0.000 2.632 387 S HA 0.313 4.793 4.470 0.018 0.000 0.289 387 S C -0.332 174.325 174.600 0.095 0.000 1.115 387 S CA -0.826 57.454 58.200 0.133 0.000 0.889 387 S CB 1.604 64.964 63.200 0.266 0.000 1.116 387 S HN 0.459 nan 8.310 nan 0.000 0.486 388 K N 1.746 122.218 120.400 0.121 0.000 2.437 388 K HA 0.368 4.698 4.320 0.018 0.000 0.205 388 K C -0.318 176.328 176.600 0.077 0.000 1.026 388 K CA -0.041 56.297 56.287 0.085 0.000 1.153 388 K CB -0.431 32.124 32.500 0.092 0.000 0.863 388 K HN 0.543 nan 8.250 nan 0.000 0.502 389 L N 0.781 122.054 121.223 0.082 0.000 2.399 389 L HA 0.094 4.445 4.340 0.018 0.000 0.266 389 L C 1.407 178.255 176.870 -0.037 0.000 1.114 389 L CA -0.249 54.613 54.840 0.037 0.000 0.804 389 L CB 0.493 42.589 42.059 0.062 0.000 1.146 389 L HN 0.016 nan 8.230 nan 0.000 0.451 390 D N 0.355 120.730 120.400 -0.042 0.000 1.786 390 D HA -0.118 4.532 4.640 0.018 0.000 0.248 390 D C 1.398 177.646 176.300 -0.085 0.000 1.113 390 D CA 1.102 55.072 54.000 -0.050 0.000 0.933 390 D CB 0.234 41.013 40.800 -0.035 0.000 1.398 390 D HN 0.630 nan 8.370 nan 0.000 0.491 391 S N -1.077 114.581 115.700 -0.070 0.000 2.595 391 S HA -0.087 4.394 4.470 0.018 0.000 0.235 391 S C 0.767 175.306 174.600 -0.101 0.000 0.974 391 S CA 0.302 58.461 58.200 -0.068 0.000 0.942 391 S CB -0.113 63.063 63.200 -0.038 0.000 0.766 391 S HN 0.264 nan 8.310 nan 0.000 0.536 392 Q N 0.675 120.364 119.800 -0.184 0.000 2.417 392 Q HA 0.334 4.685 4.340 0.018 0.000 0.241 392 Q C 1.112 176.942 176.000 -0.284 0.000 1.008 392 Q CA -0.007 55.645 55.803 -0.252 0.000 0.901 392 Q CB 0.685 29.145 28.738 -0.463 0.000 1.259 392 Q HN 0.104 nan 8.270 nan 0.000 0.489 393 V N 1.102 120.924 119.914 -0.154 0.000 3.217 393 V HA -0.168 3.963 4.120 0.018 0.000 0.264 393 V C 1.006 177.109 176.094 0.014 0.000 1.135 393 V CA 1.103 63.376 62.300 -0.046 0.000 1.142 393 V CB -1.055 30.787 31.823 0.033 0.000 0.754 393 V HN 0.843 nan 8.190 nan 0.000 0.484 394 Y N -0.062 120.300 120.300 0.104 0.000 2.529 394 Y HA 0.480 5.041 4.550 0.018 0.000 0.290 394 Y C 1.939 177.899 175.900 0.099 0.000 1.177 394 Y CA 0.639 58.805 58.100 0.110 0.000 1.305 394 Y CB -0.559 38.004 38.460 0.172 0.000 1.047 394 Y HN 0.052 nan 8.280 nan 0.000 0.522 395 G N -0.318 108.395 108.800 -0.145 0.000 2.747 395 G HA2 -0.029 3.942 3.960 0.018 0.000 0.202 395 G HA3 -0.029 3.942 3.960 0.018 0.000 0.202 395 G C 1.016 175.890 174.900 -0.043 0.000 1.090 395 G CA 0.152 45.216 45.100 -0.059 0.000 0.779 395 G HN 0.243 nan 8.290 nan 0.000 0.535 396 D N -0.000 120.368 120.400 -0.052 0.000 2.347 396 D HA 0.065 4.716 4.640 0.018 0.000 0.213 396 D C -0.175 176.165 176.300 0.067 0.000 0.985 396 D CA 0.694 54.693 54.000 -0.003 0.000 0.879 396 D CB 0.330 41.129 40.800 -0.001 0.000 0.919 396 D HN 0.259 nan 8.370 nan 0.000 0.526 397 H N 0.101 119.160 119.070 -0.018 0.000 3.267 397 H HA 0.030 4.597 4.556 0.018 0.000 0.319 397 H C 0.120 175.446 175.328 -0.004 0.000 1.191 397 H CA 0.016 56.058 56.048 -0.010 0.000 1.562 397 H CB 0.861 30.616 29.762 -0.011 0.000 2.076 397 H HN 0.049 nan 8.280 nan 0.000 0.429 398 T N 1.774 116.281 114.554 -0.078 0.000 1.747 398 T HA -0.232 4.129 4.350 0.018 0.000 0.467 398 T C 0.594 175.286 174.700 -0.013 0.000 0.829 398 T CA 1.270 63.336 62.100 -0.057 0.000 1.763 398 T CB -0.905 67.915 68.868 -0.081 0.000 1.247 398 T HN 0.763 nan 8.240 nan 0.000 0.470 399 S N -0.650 114.999 115.700 -0.085 0.000 2.726 399 S HA 0.554 5.035 4.470 0.018 0.000 0.308 399 S C 0.269 174.827 174.600 -0.069 0.000 1.115 399 S CA -0.917 57.229 58.200 -0.090 0.000 0.965 399 S CB 1.976 65.094 63.200 -0.137 0.000 1.145 399 S HN 0.848 nan 8.310 nan 0.000 0.532 400 Q N 0.126 119.908 119.800 -0.030 0.000 2.217 400 Q HA 0.299 4.649 4.340 0.018 0.000 0.226 400 Q C -0.659 175.355 176.000 0.024 0.000 0.875 400 Q CA -0.159 55.639 55.803 -0.009 0.000 0.974 400 Q CB -0.033 28.713 28.738 0.012 0.000 1.079 400 Q HN 0.512 nan 8.270 nan 0.000 0.463 401 I N 1.338 121.900 120.570 -0.015 0.000 2.322 401 I HA 0.078 4.259 4.170 0.018 0.000 0.292 401 I C 0.794 176.949 176.117 0.064 0.000 1.060 401 I CA 0.250 61.611 61.300 0.102 0.000 1.309 401 I CB 0.850 38.905 38.000 0.091 0.000 1.415 401 I HN -0.041 nan 8.210 nan 0.000 0.492 402 T N 5.927 120.574 114.554 0.155 0.000 2.899 402 T HA 0.134 4.494 4.350 0.018 0.000 0.284 402 T C 1.404 176.308 174.700 0.340 0.000 1.004 402 T CA -0.615 61.553 62.100 0.114 0.000 1.043 402 T CB 0.772 69.538 68.868 -0.169 0.000 1.013 402 T HN 0.693 nan 8.240 nan 0.000 0.518 403 K N 2.352 122.959 120.400 0.345 0.000 2.283 403 K HA -0.090 4.241 4.320 0.018 0.000 0.202 403 K C 0.994 177.598 176.600 0.007 0.000 1.048 403 K CA 1.429 57.792 56.287 0.128 0.000 0.948 403 K CB -0.271 32.263 32.500 0.056 0.000 0.742 403 K HN 0.880 nan 8.250 nan 0.000 0.458 404 E N -0.265 119.929 120.200 -0.012 0.000 2.336 404 E HA 0.057 4.418 4.350 0.018 0.000 0.214 404 E C 0.235 176.848 176.600 0.023 0.000 1.144 404 E CA -0.220 56.159 56.400 -0.036 0.000 1.294 404 E CB -0.224 29.435 29.700 -0.069 0.000 1.263 404 E HN 0.488 nan 8.360 nan 0.000 0.439 405 H N -0.624 118.460 119.070 0.023 0.000 3.360 405 H HA 0.208 4.775 4.556 0.018 0.000 0.262 405 H C -0.557 174.771 175.328 0.000 0.000 1.149 405 H CA -0.621 55.443 56.048 0.027 0.000 1.181 405 H CB 0.872 30.682 29.762 0.081 0.000 1.564 405 H HN 0.126 nan 8.280 nan 0.000 0.565 406 L N 1.348 122.616 121.223 0.074 0.000 2.325 406 L HA 0.208 4.558 4.340 0.018 0.000 0.278 406 L C -0.004 176.790 176.870 -0.127 0.000 1.023 406 L CA -0.309 54.508 54.840 -0.040 0.000 0.811 406 L CB 1.250 43.247 42.059 -0.103 0.000 1.249 406 L HN 0.240 nan 8.230 nan 0.000 0.431 407 E N 2.293 122.388 120.200 -0.175 0.000 5.234 407 E HA -0.135 4.225 4.350 0.018 0.000 0.170 407 E C -2.029 174.498 176.600 -0.121 0.000 1.556 407 E CA 0.060 56.330 56.400 -0.217 0.000 1.185 407 E CB -0.411 29.089 29.700 -0.332 0.000 1.023 407 E HN 0.522 nan 8.360 nan 0.000 0.337 408 P HA 0.080 nan 4.420 nan 0.000 0.256 408 P C 0.159 177.426 177.300 -0.054 0.000 1.384 408 P CA 0.559 63.618 63.100 -0.070 0.000 0.879 408 P CB 0.262 31.911 31.700 -0.086 0.000 1.403 409 N N -2.816 115.855 118.700 -0.048 0.000 2.459 409 N HA -0.076 4.674 4.740 0.018 0.000 0.334 409 N C 0.225 175.729 175.510 -0.010 0.000 1.428 409 N CA -0.063 52.971 53.050 -0.028 0.000 2.732 409 N CB -0.744 37.731 38.487 -0.022 0.000 1.877 409 N HN -0.128 nan 8.380 nan 0.000 1.133 410 L N 2.235 123.457 121.223 -0.001 0.000 2.249 410 L HA 0.091 4.442 4.340 0.018 0.000 0.165 410 L C 2.202 179.097 176.870 0.041 0.000 0.852 410 L CA 1.350 56.223 54.840 0.056 0.000 1.702 410 L CB -0.699 41.450 42.059 0.150 0.000 1.799 410 L HN 0.260 nan 8.230 nan 0.000 0.494 411 E N 0.211 120.468 120.200 0.094 0.000 2.012 411 E HA -0.169 4.191 4.350 0.018 0.000 0.211 411 E C 0.511 177.110 176.600 -0.002 0.000 1.029 411 E CA 1.481 57.927 56.400 0.077 0.000 0.867 411 E CB -0.343 29.462 29.700 0.176 0.000 0.790 411 E HN 0.809 nan 8.360 nan 0.000 0.482 412 G N 0.222 108.984 108.800 -0.064 0.000 2.565 412 G HA2 -0.051 3.920 3.960 0.018 0.000 0.156 412 G HA3 -0.051 3.920 3.960 0.018 0.000 0.156 412 G C -0.734 174.122 174.900 -0.073 0.000 1.074 412 G CA 0.038 45.092 45.100 -0.077 0.000 0.804 412 G HN 0.094 nan 8.290 nan 0.000 0.496 413 L N 1.607 122.763 121.223 -0.111 0.000 2.334 413 L HA 0.691 5.042 4.340 0.018 0.000 0.276 413 L C 1.345 178.140 176.870 -0.126 0.000 1.014 413 L CA -0.732 54.057 54.840 -0.084 0.000 0.815 413 L CB 1.732 43.768 42.059 -0.039 0.000 1.268 413 L HN 0.393 nan 8.230 nan 0.000 0.428 414 T N -0.950 113.545 114.554 -0.098 0.000 2.734 414 T HA 0.077 4.438 4.350 0.018 0.000 0.314 414 T C 1.420 176.024 174.700 -0.160 0.000 1.057 414 T CA -0.790 61.240 62.100 -0.117 0.000 1.047 414 T CB 0.690 69.508 68.868 -0.085 0.000 0.991 414 T HN 0.281 nan 8.240 nan 0.000 0.540 415 V N 0.936 120.719 119.914 -0.218 0.000 2.407 415 V HA -0.169 3.962 4.120 0.018 0.000 0.248 415 V C 2.649 178.611 176.094 -0.221 0.000 1.055 415 V CA 2.148 64.252 62.300 -0.327 0.000 1.049 415 V CB -0.950 30.518 31.823 -0.592 0.000 0.662 415 V HN 1.078 nan 8.190 nan 0.000 0.455 416 D N 0.226 120.539 120.400 -0.146 0.000 2.097 416 D HA -0.243 4.407 4.640 0.018 0.000 0.195 416 D C 2.098 178.359 176.300 -0.064 0.000 0.989 416 D CA 1.706 55.654 54.000 -0.085 0.000 0.827 416 D CB 0.063 40.831 40.800 -0.053 0.000 0.966 416 D HN 0.569 nan 8.370 nan 0.000 0.456 417 E N -0.078 120.086 120.200 -0.059 0.000 2.118 417 E HA -0.175 4.186 4.350 0.018 0.000 0.195 417 E C 2.124 178.712 176.600 -0.019 0.000 0.992 417 E CA 0.980 57.360 56.400 -0.033 0.000 0.804 417 E CB -0.070 29.613 29.700 -0.028 0.000 0.741 417 E HN 0.369 nan 8.360 nan 0.000 0.458 418 A N 0.880 123.678 122.820 -0.037 0.000 1.877 418 A HA -0.177 4.154 4.320 0.018 0.000 0.216 418 A C 2.121 179.693 177.584 -0.021 0.000 1.186 418 A CA 1.136 53.179 52.037 0.011 0.000 0.620 418 A CB -0.545 18.434 19.000 -0.034 0.000 0.822 418 A HN 0.208 nan 8.150 nan 0.000 0.443 419 I N -0.837 119.693 120.570 -0.066 0.000 2.315 419 I HA -0.248 3.932 4.170 0.018 0.000 0.248 419 I C 2.823 178.906 176.117 -0.057 0.000 1.117 419 I CA 1.206 62.461 61.300 -0.075 0.000 1.404 419 I CB -0.278 37.684 38.000 -0.063 0.000 1.071 419 I HN 0.399 nan 8.210 nan 0.000 0.419 420 Q N 0.944 120.721 119.800 -0.038 0.000 2.096 420 Q HA -0.189 4.162 4.340 0.018 0.000 0.204 420 Q C 1.241 177.230 176.000 -0.019 0.000 0.982 420 Q CA 1.416 57.204 55.803 -0.025 0.000 0.850 420 Q CB -0.163 28.564 28.738 -0.018 0.000 0.901 420 Q HN 0.540 nan 8.270 nan 0.000 0.422 421 N N 0.857 119.551 118.700 -0.011 0.000 2.276 421 N HA 0.009 4.759 4.740 0.018 0.000 0.212 421 N C -0.576 174.926 175.510 -0.014 0.000 1.127 421 N CA 0.025 53.075 53.050 0.000 0.000 0.834 421 N CB 0.414 38.914 38.487 0.022 0.000 1.014 421 N HN 0.170 nan 8.380 nan 0.000 0.491 422 K N 0.434 120.799 120.400 -0.059 0.000 3.257 422 K HA -0.208 4.122 4.320 0.018 0.000 0.270 422 K C 0.408 176.889 176.600 -0.198 0.000 0.984 422 K CA 0.393 56.594 56.287 -0.143 0.000 0.739 422 K CB -1.087 31.366 32.500 -0.078 0.000 1.351 422 K HN 0.357 nan 8.250 nan 0.000 0.463 423 R N -0.074 120.342 120.500 -0.139 0.000 2.397 423 R HA 0.257 4.607 4.340 0.018 0.000 0.241 423 R C 0.495 176.771 176.300 -0.040 0.000 0.914 423 R CA 0.005 56.095 56.100 -0.016 0.000 1.071 423 R CB 0.468 30.867 30.300 0.166 0.000 1.116 423 R HN 0.137 nan 8.270 nan 0.000 0.524 424 L N 1.280 122.314 121.223 -0.314 0.000 2.307 424 L HA 0.473 4.823 4.340 0.018 0.000 0.284 424 L C -0.954 175.587 176.870 -0.548 0.000 1.023 424 L CA -0.618 54.112 54.840 -0.183 0.000 0.810 424 L CB 1.130 43.161 42.059 -0.048 0.000 1.231 424 L HN -0.125 nan 8.230 nan 0.000 0.423 425 F N 3.358 123.364 119.950 0.092 0.000 2.603 425 F HA 0.704 5.242 4.527 0.018 0.000 0.317 425 F C -0.412 175.431 175.800 0.073 0.000 1.066 425 F CA -0.875 57.159 58.000 0.056 0.000 0.941 425 F CB 1.980 40.984 39.000 0.008 0.000 1.291 425 F HN 0.165 nan 8.300 nan 0.000 0.472 426 L N 2.229 123.587 121.223 0.225 0.000 2.409 426 L HA 0.633 4.984 4.340 0.018 0.000 0.262 426 L C -2.074 174.843 176.870 0.078 0.000 0.992 426 L CA -0.504 54.424 54.840 0.147 0.000 0.817 426 L CB 2.171 44.298 42.059 0.114 0.000 1.350 426 L HN 0.641 nan 8.230 nan 0.000 0.411 427 L N 4.248 125.503 121.223 0.055 0.000 2.313 427 L HA 0.425 4.775 4.340 0.018 0.000 0.273 427 L C -1.170 175.662 176.870 -0.063 0.000 1.028 427 L CA -0.267 54.546 54.840 -0.044 0.000 0.871 427 L CB 1.010 43.066 42.059 -0.004 0.000 1.242 427 L HN 0.712 nan 8.230 nan 0.000 0.434 428 D N 3.258 123.574 120.400 -0.140 0.000 2.396 428 D HA 0.170 4.821 4.640 0.018 0.000 0.225 428 D C 0.164 176.365 176.300 -0.165 0.000 1.121 428 D CA -0.057 53.904 54.000 -0.064 0.000 0.853 428 D CB 0.583 41.382 40.800 -0.002 0.000 1.043 428 D HN 0.441 nan 8.370 nan 0.000 0.500 429 H N 2.329 121.472 119.070 0.121 0.000 2.467 429 H HA 0.047 4.614 4.556 0.018 0.000 0.275 429 H C 0.565 176.027 175.328 0.225 0.000 1.131 429 H CA -0.142 55.995 56.048 0.148 0.000 0.989 429 H CB 0.435 30.288 29.762 0.152 0.000 1.696 429 H HN 0.571 nan 8.280 nan 0.000 0.574 430 H N 0.606 119.798 119.070 0.203 0.000 2.300 430 H HA -0.037 4.529 4.556 0.018 0.000 0.312 430 H C 1.263 176.686 175.328 0.159 0.000 1.057 430 H CA 1.446 57.592 56.048 0.165 0.000 1.380 430 H CB 0.601 30.441 29.762 0.129 0.000 1.424 430 H HN 0.106 nan 8.280 nan 0.000 0.534 431 D N 0.968 121.466 120.400 0.164 0.000 2.092 431 D HA -0.128 4.523 4.640 0.018 0.000 0.193 431 D C -0.582 175.769 176.300 0.085 0.000 0.994 431 D CA 1.646 55.714 54.000 0.114 0.000 0.828 431 D CB -1.552 39.365 40.800 0.195 0.000 0.963 431 D HN 0.446 nan 8.370 nan 0.000 0.450 432 P HA -0.127 nan 4.420 nan 0.000 0.216 432 P C 1.793 179.036 177.300 -0.095 0.000 1.153 432 P CA 0.974 64.123 63.100 0.080 0.000 0.858 432 P CB 0.111 31.961 31.700 0.251 0.000 0.789 433 I N -2.665 117.875 120.570 -0.050 0.000 3.427 433 I HA -0.046 4.135 4.170 0.018 0.000 0.288 433 I C 2.222 178.294 176.117 -0.075 0.000 1.249 433 I CA 0.301 61.526 61.300 -0.126 0.000 1.421 433 I CB -0.156 37.870 38.000 0.042 0.000 1.086 433 I HN -0.233 nan 8.210 nan 0.000 0.448 434 M N 2.346 121.880 119.600 -0.110 0.000 2.082 434 M HA -0.124 4.366 4.480 0.018 0.000 0.258 434 M C -0.869 175.373 176.300 -0.097 0.000 1.071 434 M CA 2.368 57.568 55.300 -0.166 0.000 1.103 434 M CB -1.670 30.775 32.600 -0.259 0.000 1.307 434 M HN 0.024 nan 8.290 nan 0.000 0.409 435 P HA -0.182 nan 4.420 nan 0.000 0.220 435 P C 0.560 177.692 177.300 -0.279 0.000 1.144 435 P CA 1.667 64.703 63.100 -0.108 0.000 0.800 435 P CB -0.368 31.298 31.700 -0.055 0.000 0.772 436 Y N -2.250 117.920 120.300 -0.215 0.000 2.467 436 Y HA 0.145 4.706 4.550 0.018 0.000 0.250 436 Y C 2.078 177.854 175.900 -0.207 0.000 1.155 436 Y CA -0.416 57.513 58.100 -0.286 0.000 1.249 436 Y CB -0.345 37.886 38.460 -0.382 0.000 1.146 436 Y HN -0.214 nan 8.280 nan 0.000 0.524 437 L N 0.761 121.945 121.223 -0.064 0.000 1.989 437 L HA -0.225 4.126 4.340 0.018 0.000 0.211 437 L C 2.121 178.955 176.870 -0.061 0.000 1.071 437 L CA 1.898 56.698 54.840 -0.066 0.000 0.749 437 L CB -0.623 41.363 42.059 -0.122 0.000 0.890 437 L HN 0.158 nan 8.230 nan 0.000 0.431 438 R N -1.226 119.208 120.500 -0.110 0.000 2.091 438 R HA -0.166 4.185 4.340 0.018 0.000 0.238 438 R C 2.317 178.635 176.300 0.029 0.000 1.136 438 R CA 1.492 57.578 56.100 -0.024 0.000 0.959 438 R CB -0.608 29.719 30.300 0.044 0.000 0.856 438 R HN 0.254 nan 8.270 nan 0.000 0.437 439 R N 0.667 121.165 120.500 -0.004 0.000 2.080 439 R HA -0.074 4.276 4.340 0.018 0.000 0.236 439 R C 2.308 178.722 176.300 0.191 0.000 1.137 439 R CA 1.785 57.925 56.100 0.066 0.000 0.943 439 R CB -0.353 29.890 30.300 -0.094 0.000 0.846 439 R HN 0.220 nan 8.270 nan 0.000 0.431 440 I N 0.332 121.014 120.570 0.187 0.000 2.315 440 I HA -0.251 3.929 4.170 0.018 0.000 0.248 440 I C 1.459 177.634 176.117 0.097 0.000 1.117 440 I CA 1.351 62.775 61.300 0.206 0.000 1.404 440 I CB -0.308 37.807 38.000 0.192 0.000 1.071 440 I HN 0.262 nan 8.210 nan 0.000 0.419 441 N N 0.550 119.286 118.700 0.059 0.000 2.520 441 N HA -0.048 4.702 4.740 0.018 0.000 0.185 441 N C 1.616 177.164 175.510 0.063 0.000 1.068 441 N CA 0.646 53.719 53.050 0.040 0.000 0.911 441 N CB 0.026 38.565 38.487 0.086 0.000 0.961 441 N HN 0.314 nan 8.380 nan 0.000 0.446 442 A N 0.345 123.210 122.820 0.075 0.000 2.208 442 A HA 0.017 4.348 4.320 0.018 0.000 0.209 442 A C 1.400 179.014 177.584 0.050 0.000 1.161 442 A CA 0.487 52.565 52.037 0.068 0.000 0.782 442 A CB -0.299 18.747 19.000 0.076 0.000 0.816 442 A HN 0.332 nan 8.150 nan 0.000 0.477 443 T N -3.625 110.954 114.554 0.043 0.000 2.902 443 T HA 0.312 4.673 4.350 0.018 0.000 0.287 443 T C 0.982 175.678 174.700 -0.006 0.000 1.048 443 T CA 0.346 62.456 62.100 0.017 0.000 0.941 443 T CB 0.624 69.500 68.868 0.014 0.000 1.432 443 T HN 0.128 nan 8.240 nan 0.000 0.586 444 S N -0.091 115.597 115.700 -0.021 0.000 2.660 444 S HA 0.143 4.623 4.470 0.018 0.000 0.228 444 S C 0.514 175.079 174.600 -0.058 0.000 0.966 444 S CA -0.258 57.921 58.200 -0.035 0.000 0.940 444 S CB -0.633 62.545 63.200 -0.036 0.000 0.773 444 S HN 0.753 nan 8.310 nan 0.000 0.535 445 T N 3.313 117.832 114.554 -0.058 0.000 2.824 445 T HA 0.414 4.775 4.350 0.018 0.000 0.280 445 T C -0.355 174.247 174.700 -0.164 0.000 0.995 445 T CA -0.703 61.345 62.100 -0.086 0.000 1.009 445 T CB 1.001 69.850 68.868 -0.032 0.000 0.955 445 T HN -0.050 nan 8.240 nan 0.000 0.452 446 K N 2.244 122.470 120.400 -0.290 0.000 2.604 446 K HA 0.724 5.054 4.320 0.018 0.000 0.247 446 K C -0.795 175.482 176.600 -0.539 0.000 0.956 446 K CA -0.540 55.364 56.287 -0.639 0.000 0.896 446 K CB 2.046 33.854 32.500 -1.154 0.000 1.131 446 K HN 0.680 nan 8.250 nan 0.000 0.440 447 A N 2.843 125.428 122.820 -0.391 0.000 2.437 447 A HA 0.871 5.202 4.320 0.018 0.000 0.292 447 A C -1.479 175.926 177.584 -0.300 0.000 1.173 447 A CA -0.599 51.309 52.037 -0.215 0.000 0.785 447 A CB 1.064 20.067 19.000 0.004 0.000 1.351 447 A HN 0.519 nan 8.150 nan 0.000 0.431 448 Y N -1.262 118.996 120.300 -0.069 0.000 2.598 448 Y HA 0.611 5.172 4.550 0.017 0.000 0.340 448 Y C 0.499 176.431 175.900 0.053 0.000 1.038 448 Y CA -0.360 57.725 58.100 -0.025 0.000 1.100 448 Y CB 2.288 40.690 38.460 -0.097 0.000 1.281 448 Y HN 0.783 nan 8.280 nan 0.000 0.488 449 A N 1.600 124.572 122.820 0.254 0.000 2.412 449 A HA 0.481 4.812 4.320 0.018 0.000 0.334 449 A C -0.013 177.765 177.584 0.324 0.000 1.419 449 A CA -0.520 51.642 52.037 0.208 0.000 0.930 449 A CB -0.762 18.236 19.000 -0.002 0.000 1.149 449 A HN 0.682 nan 8.150 nan 0.000 0.515 450 T N 0.274 115.013 114.554 0.309 0.000 2.874 450 T HA 0.720 5.080 4.350 0.018 0.000 0.281 450 T C 0.035 174.914 174.700 0.297 0.000 0.994 450 T CA -0.486 61.786 62.100 0.286 0.000 1.015 450 T CB 1.008 70.021 68.868 0.242 0.000 1.028 450 T HN 0.644 nan 8.240 nan 0.000 0.523 451 R N -0.101 120.539 120.500 0.233 0.000 2.668 451 R HA 0.633 4.984 4.340 0.018 0.000 0.272 451 R C -1.280 175.138 176.300 0.198 0.000 1.019 451 R CA -0.797 55.416 56.100 0.187 0.000 0.894 451 R CB 2.410 32.782 30.300 0.120 0.000 1.228 451 R HN 0.954 nan 8.270 nan 0.000 0.460 452 T N 1.635 116.308 114.554 0.199 0.000 3.041 452 T HA 0.548 4.908 4.350 0.018 0.000 0.321 452 T C -1.309 173.531 174.700 0.233 0.000 1.184 452 T CA -0.582 61.663 62.100 0.242 0.000 1.050 452 T CB 1.072 70.122 68.868 0.304 0.000 1.159 452 T HN 0.264 nan 8.240 nan 0.000 0.469 453 I N 3.949 124.675 120.570 0.261 0.000 2.412 453 I HA 0.653 4.833 4.170 0.018 0.000 0.296 453 I C -0.704 175.586 176.117 0.288 0.000 0.987 453 I CA -0.617 60.839 61.300 0.260 0.000 1.180 453 I CB 1.720 39.882 38.000 0.269 0.000 1.340 453 I HN 0.621 nan 8.210 nan 0.000 0.455 454 L N 5.840 127.243 121.223 0.300 0.000 2.381 454 L HA 0.538 4.889 4.340 0.018 0.000 0.268 454 L C -0.955 176.163 176.870 0.414 0.000 0.997 454 L CA -0.511 54.522 54.840 0.322 0.000 0.818 454 L CB 1.698 43.903 42.059 0.244 0.000 1.310 454 L HN 0.342 nan 8.230 nan 0.000 0.416 455 F N 2.897 122.965 119.950 0.197 0.000 2.469 455 F HA 0.612 5.149 4.527 0.018 0.000 0.332 455 F C -0.720 175.192 175.800 0.187 0.000 1.103 455 F CA -1.196 56.911 58.000 0.178 0.000 0.979 455 F CB 1.528 40.587 39.000 0.099 0.000 1.137 455 F HN 0.303 nan 8.300 nan 0.000 0.463 456 L N 7.451 128.464 121.223 -0.350 0.000 2.295 456 L HA 0.320 4.670 4.340 0.018 0.000 0.288 456 L C -0.129 176.214 176.870 -0.878 0.000 1.079 456 L CA -0.081 54.529 54.840 -0.384 0.000 0.830 456 L CB -0.349 41.712 42.059 0.003 0.000 1.200 456 L HN 0.558 nan 8.230 nan 0.000 0.438 457 K N 3.291 123.345 120.400 -0.576 0.000 2.234 457 K HA -0.032 4.299 4.320 0.018 0.000 0.251 457 K C 0.677 177.129 176.600 -0.247 0.000 1.011 457 K CA -0.042 56.004 56.287 -0.403 0.000 0.889 457 K CB 0.461 32.887 32.500 -0.125 0.000 1.011 457 K HN 0.706 nan 8.250 nan 0.000 0.505 458 N N 0.897 119.527 118.700 -0.116 0.000 2.446 458 N HA -0.120 4.631 4.740 0.018 0.000 0.179 458 N C 0.535 176.021 175.510 -0.040 0.000 1.054 458 N CA 0.367 53.382 53.050 -0.058 0.000 0.905 458 N CB 0.199 38.683 38.487 -0.005 0.000 0.973 458 N HN 0.466 nan 8.380 nan 0.000 0.448 459 D N -0.668 119.710 120.400 -0.037 0.000 2.363 459 D HA 0.042 4.693 4.640 0.018 0.000 0.226 459 D C 1.232 177.512 176.300 -0.033 0.000 1.020 459 D CA 0.828 54.814 54.000 -0.023 0.000 0.892 459 D CB -0.253 40.540 40.800 -0.012 0.000 0.900 459 D HN 0.272 nan 8.370 nan 0.000 0.531 460 G N -0.150 108.616 108.800 -0.057 0.000 2.176 460 G HA2 -0.246 3.725 3.960 0.018 0.000 0.232 460 G HA3 -0.246 3.725 3.960 0.018 0.000 0.232 460 G C 0.468 175.319 174.900 -0.082 0.000 0.986 460 G CA 0.422 45.486 45.100 -0.061 0.000 0.643 460 G HN 0.779 nan 8.290 nan 0.000 0.522 461 T N -1.160 113.346 114.554 -0.080 0.000 2.927 461 T HA 0.774 5.134 4.350 0.018 0.000 0.281 461 T C -0.127 174.507 174.700 -0.110 0.000 0.998 461 T CA -0.776 61.276 62.100 -0.079 0.000 1.019 461 T CB 2.688 71.535 68.868 -0.035 0.000 1.061 461 T HN 0.585 nan 8.240 nan 0.000 0.518 462 L N 1.011 122.175 121.223 -0.099 0.000 2.322 462 L HA 0.672 5.022 4.340 0.018 0.000 0.279 462 L C 0.146 177.031 176.870 0.026 0.000 1.036 462 L CA -0.539 54.251 54.840 -0.085 0.000 0.807 462 L CB 1.446 43.408 42.059 -0.161 0.000 1.226 462 L HN 0.827 nan 8.230 nan 0.000 0.433 463 R N 4.941 125.506 120.500 0.108 0.000 2.574 463 R HA 0.536 4.887 4.340 0.018 0.000 0.288 463 R C -2.716 173.743 176.300 0.265 0.000 1.004 463 R CA -1.755 54.456 56.100 0.185 0.000 0.895 463 R CB 2.120 32.527 30.300 0.179 0.000 1.191 463 R HN 0.325 nan 8.270 nan 0.000 0.444 464 P HA 0.027 nan 4.420 nan 0.000 0.271 464 P C -0.229 177.270 177.300 0.332 0.000 1.233 464 P CA -0.130 63.233 63.100 0.439 0.000 0.764 464 P CB 0.962 33.057 31.700 0.658 0.000 0.825 465 L N 3.227 124.625 121.223 0.291 0.000 2.316 465 L HA 0.382 4.733 4.340 0.018 0.000 0.207 465 L C 1.051 178.015 176.870 0.157 0.000 1.070 465 L CA 1.013 55.954 54.840 0.169 0.000 0.820 465 L CB -0.499 41.654 42.059 0.157 0.000 0.992 465 L HN 0.476 nan 8.230 nan 0.000 0.466 466 A N -0.861 122.133 122.820 0.290 0.000 2.555 466 A HA 0.616 4.947 4.320 0.018 0.000 0.297 466 A C -1.308 176.497 177.584 0.368 0.000 1.060 466 A CA -0.354 51.863 52.037 0.299 0.000 0.710 466 A CB 0.891 20.001 19.000 0.184 0.000 1.282 466 A HN -0.054 nan 8.150 nan 0.000 0.399 467 I N 1.285 122.104 120.570 0.415 0.000 2.474 467 I HA 0.440 4.620 4.170 0.018 0.000 0.294 467 I C -0.015 176.276 176.117 0.290 0.000 1.005 467 I CA -0.325 61.150 61.300 0.292 0.000 1.113 467 I CB 2.061 40.137 38.000 0.126 0.000 1.289 467 I HN 0.836 nan 8.210 nan 0.000 0.436 468 E N 7.464 127.801 120.200 0.228 0.000 2.155 468 E HA 0.427 4.788 4.350 0.018 0.000 0.264 468 E C -1.567 175.152 176.600 0.198 0.000 0.886 468 E CA -0.616 55.914 56.400 0.218 0.000 0.752 468 E CB 1.243 31.038 29.700 0.157 0.000 1.133 468 E HN 0.535 nan 8.360 nan 0.000 0.414 469 L N 3.808 125.153 121.223 0.204 0.000 2.255 469 L HA 0.353 4.703 4.340 0.018 0.000 0.289 469 L C -0.288 176.746 176.870 0.273 0.000 1.046 469 L CA -0.503 54.374 54.840 0.062 0.000 0.816 469 L CB 1.387 43.208 42.059 -0.398 0.000 1.197 469 L HN 0.457 nan 8.230 nan 0.000 0.427 470 S N 3.904 119.818 115.700 0.357 0.000 2.509 470 S HA 0.764 5.245 4.470 0.018 0.000 0.297 470 S C -0.268 174.533 174.600 0.335 0.000 1.118 470 S CA -0.559 57.853 58.200 0.353 0.000 1.074 470 S CB 1.979 65.367 63.200 0.312 0.000 1.038 470 S HN 0.299 nan 8.310 nan 0.000 0.498 471 L N 3.241 124.598 121.223 0.224 0.000 2.301 471 L HA 0.653 5.003 4.340 0.018 0.000 0.264 471 L C -2.258 174.573 176.870 -0.064 0.000 1.016 471 L CA -2.085 52.750 54.840 -0.009 0.000 0.821 471 L CB 1.641 43.566 42.059 -0.222 0.000 1.346 471 L HN 0.399 nan 8.230 nan 0.000 0.429 472 P HA 0.153 nan 4.420 nan 0.000 0.280 472 P C -1.201 176.012 177.300 -0.145 0.000 1.272 472 P CA -0.345 62.571 63.100 -0.307 0.000 0.819 472 P CB 0.331 31.666 31.700 -0.608 0.000 1.122 473 H N -1.241 117.873 119.070 0.073 0.000 1.884 473 H HA -0.111 4.456 4.556 0.018 0.000 0.281 473 H C -1.656 173.742 175.328 0.117 0.000 0.695 473 H CA -0.817 55.294 56.048 0.105 0.000 1.128 473 H CB -1.219 28.581 29.762 0.063 0.000 1.361 473 H HN 0.319 nan 8.280 nan 0.000 0.281 474 P HA -0.126 nan 4.420 nan 0.000 0.216 474 P C -0.254 177.154 177.300 0.180 0.000 1.153 474 P CA 1.419 64.743 63.100 0.374 0.000 0.844 474 P CB 0.446 32.363 31.700 0.362 0.000 0.787 475 Q N -1.569 118.310 119.800 0.131 0.000 2.280 475 Q HA 0.529 4.880 4.340 0.018 0.000 0.259 475 Q C 0.284 176.305 176.000 0.035 0.000 0.964 475 Q CA -0.106 55.719 55.803 0.036 0.000 0.844 475 Q CB 2.070 30.831 28.738 0.039 0.000 1.334 475 Q HN 0.193 nan 8.270 nan 0.000 0.423 476 G N 2.248 111.025 108.800 -0.039 0.000 2.866 476 G HA2 -0.346 3.624 3.960 0.018 0.000 0.274 476 G HA3 -0.346 3.624 3.960 0.018 0.000 0.274 476 G C 0.244 175.191 174.900 0.079 0.000 1.413 476 G CA 0.777 45.875 45.100 -0.003 0.000 0.997 476 G HN 0.692 nan 8.290 nan 0.000 0.559 477 D N -1.668 118.818 120.400 0.144 0.000 1.520 477 D HA 0.010 4.661 4.640 0.018 0.000 0.776 477 D C 0.387 176.786 176.300 0.164 0.000 0.570 477 D CA 0.669 54.793 54.000 0.206 0.000 1.290 477 D CB -0.595 40.303 40.800 0.164 0.000 1.181 477 D HN 0.541 nan 8.370 nan 0.000 0.425 478 Q N 1.004 120.866 119.800 0.102 0.000 2.311 478 Q HA 0.261 4.611 4.340 0.018 0.000 0.272 478 Q C 0.119 176.177 176.000 0.097 0.000 1.012 478 Q CA 0.668 56.511 55.803 0.066 0.000 0.891 478 Q CB 1.175 29.935 28.738 0.037 0.000 1.201 478 Q HN 0.195 nan 8.270 nan 0.000 0.391 479 S N 1.389 117.138 115.700 0.083 0.000 3.791 479 S HA -0.145 4.336 4.470 0.018 0.000 0.393 479 S C 0.590 175.346 174.600 0.259 0.000 0.936 479 S CA 0.402 58.682 58.200 0.134 0.000 1.234 479 S CB -1.170 62.083 63.200 0.087 0.000 0.891 479 S HN 0.963 nan 8.310 nan 0.000 0.519 480 G N 0.686 109.750 108.800 0.441 0.000 3.496 480 G HA2 0.468 4.439 3.960 0.018 0.000 0.273 480 G HA3 0.468 4.439 3.960 0.018 0.000 0.273 480 G C 0.461 175.584 174.900 0.372 0.000 1.279 480 G CA 0.299 45.666 45.100 0.445 0.000 1.041 480 G HN 1.245 nan 8.290 nan 0.000 0.539 481 A N 0.694 123.777 122.820 0.437 0.000 3.063 481 A HA 0.457 4.788 4.320 0.018 0.000 0.263 481 A C -0.508 177.188 177.584 0.187 0.000 1.736 481 A CA -0.576 51.618 52.037 0.263 0.000 1.408 481 A CB -0.595 18.593 19.000 0.314 0.000 1.108 481 A HN 0.273 nan 8.150 nan 0.000 0.621 482 F N 2.725 122.711 119.950 0.059 0.000 2.377 482 F HA 0.425 4.963 4.527 0.018 0.000 0.360 482 F C 0.196 176.048 175.800 0.087 0.000 1.147 482 F CA -0.803 57.238 58.000 0.068 0.000 1.170 482 F CB 0.273 39.310 39.000 0.061 0.000 1.339 482 F HN 0.292 nan 8.300 nan 0.000 0.552 483 S N 4.266 120.120 115.700 0.257 0.000 2.600 483 S HA 0.710 5.191 4.470 0.018 0.000 0.300 483 S C -1.086 173.638 174.600 0.208 0.000 1.087 483 S CA -1.008 57.355 58.200 0.271 0.000 0.965 483 S CB 2.256 65.553 63.200 0.161 0.000 1.089 483 S HN 0.563 nan 8.310 nan 0.000 0.496 484 Q N 0.895 120.841 119.800 0.243 0.000 2.274 484 Q HA 0.554 4.905 4.340 0.018 0.000 0.268 484 Q C -1.351 174.731 176.000 0.137 0.000 1.015 484 Q CA -0.682 55.205 55.803 0.140 0.000 0.775 484 Q CB 2.393 31.275 28.738 0.240 0.000 1.256 484 Q HN 0.631 nan 8.270 nan 0.000 0.442 485 V N 1.962 121.869 119.914 -0.012 0.000 2.435 485 V HA 0.684 4.815 4.120 0.018 0.000 0.290 485 V C -1.404 174.605 176.094 -0.142 0.000 1.030 485 V CA -0.215 62.130 62.300 0.075 0.000 0.881 485 V CB 0.434 32.318 31.823 0.102 0.000 0.983 485 V HN 0.554 nan 8.190 nan 0.000 0.445 486 F N 5.483 125.490 119.950 0.095 0.000 2.507 486 F HA 0.817 5.355 4.527 0.018 0.000 0.327 486 F C -0.153 175.751 175.800 0.174 0.000 1.068 486 F CA -0.956 57.132 58.000 0.147 0.000 0.965 486 F CB 1.819 40.970 39.000 0.252 0.000 1.192 486 F HN 0.379 nan 8.300 nan 0.000 0.476 487 L N 3.265 124.593 121.223 0.175 0.000 2.354 487 L HA 0.600 4.951 4.340 0.018 0.000 0.269 487 L C -2.294 174.202 176.870 -0.624 0.000 1.005 487 L CA -2.149 52.593 54.840 -0.163 0.000 0.819 487 L CB 1.580 43.504 42.059 -0.225 0.000 1.311 487 L HN 0.324 nan 8.230 nan 0.000 0.423 488 P HA 0.140 nan 4.420 nan 0.000 0.261 488 P C -1.323 175.475 177.300 -0.837 0.000 1.173 488 P CA -0.041 61.961 63.100 -1.830 0.000 0.760 488 P CB 0.496 31.498 31.700 -1.162 0.000 0.783 489 A N 2.409 124.814 122.820 -0.691 0.000 2.385 489 A HA 0.235 4.565 4.320 0.018 0.000 0.290 489 A C 0.784 178.266 177.584 -0.170 0.000 1.094 489 A CA -0.517 51.356 52.037 -0.273 0.000 0.729 489 A CB 0.788 19.724 19.000 -0.107 0.000 1.194 489 A HN 0.531 nan 8.150 nan 0.000 0.442 490 D N 1.343 121.665 120.400 -0.129 0.000 2.317 490 D HA -0.031 4.619 4.640 0.018 0.000 0.211 490 D C 0.012 176.284 176.300 -0.047 0.000 0.966 490 D CA 0.982 54.936 54.000 -0.078 0.000 0.876 490 D CB 0.568 41.325 40.800 -0.071 0.000 0.927 490 D HN 0.682 nan 8.370 nan 0.000 0.519 491 E N -0.561 119.616 120.200 -0.040 0.000 2.281 491 E HA 0.441 4.802 4.350 0.018 0.000 0.262 491 E C 0.933 177.528 176.600 -0.008 0.000 0.933 491 E CA -0.659 55.727 56.400 -0.023 0.000 0.809 491 E CB 1.257 30.945 29.700 -0.019 0.000 1.242 491 E HN 0.101 nan 8.360 nan 0.000 0.418 492 G N 0.265 109.060 108.800 -0.009 0.000 2.568 492 G HA2 -0.348 3.622 3.960 0.018 0.000 0.334 492 G HA3 -0.348 3.622 3.960 0.018 0.000 0.334 492 G C 1.016 175.911 174.900 -0.007 0.000 1.348 492 G CA 0.701 45.799 45.100 -0.004 0.000 0.949 492 G HN 0.393 nan 8.290 nan 0.000 0.532 493 V N -0.451 119.460 119.914 -0.006 0.000 3.026 493 V HA -0.039 4.092 4.120 0.018 0.000 0.265 493 V C 2.432 178.530 176.094 0.007 0.000 1.121 493 V CA 2.827 65.097 62.300 -0.051 0.000 1.142 493 V CB -0.723 31.032 31.823 -0.113 0.000 0.730 493 V HN 0.623 nan 8.190 nan 0.000 0.503 494 E N 1.308 121.543 120.200 0.059 0.000 2.208 494 E HA -0.101 4.259 4.350 0.018 0.000 0.193 494 E C 2.425 179.098 176.600 0.123 0.000 0.988 494 E CA 1.230 57.694 56.400 0.106 0.000 0.828 494 E CB -0.237 29.508 29.700 0.075 0.000 0.763 494 E HN 0.811 nan 8.360 nan 0.000 0.478 495 S N -0.970 114.774 115.700 0.075 0.000 2.425 495 S HA 0.019 4.500 4.470 0.018 0.000 0.225 495 S C 2.035 176.697 174.600 0.102 0.000 1.024 495 S CA 0.698 58.961 58.200 0.106 0.000 0.951 495 S CB -0.029 63.191 63.200 0.034 0.000 0.796 495 S HN 0.024 nan 8.310 nan 0.000 0.498 496 S N 1.680 117.399 115.700 0.033 0.000 2.402 496 S HA 0.220 4.700 4.470 0.018 0.000 0.229 496 S C 1.682 176.294 174.600 0.019 0.000 1.021 496 S CA 0.964 59.162 58.200 -0.003 0.000 0.974 496 S CB -0.406 62.760 63.200 -0.056 0.000 0.800 496 S HN 0.495 nan 8.310 nan 0.000 0.484 497 I N 0.183 120.790 120.570 0.060 0.000 2.500 497 I HA -0.116 4.064 4.170 0.018 0.000 0.252 497 I C 2.202 178.367 176.117 0.080 0.000 1.142 497 I CA 0.845 62.197 61.300 0.086 0.000 1.451 497 I CB -0.156 37.972 38.000 0.214 0.000 1.093 497 I HN 0.531 nan 8.210 nan 0.000 0.430 498 W N 1.268 122.542 121.300 -0.043 0.000 2.476 498 W HA -0.159 4.512 4.660 0.018 0.000 0.281 498 W C 2.042 178.480 176.519 -0.136 0.000 1.230 498 W CA 0.564 57.862 57.345 -0.079 0.000 1.287 498 W CB 0.114 29.546 29.460 -0.048 0.000 1.108 498 W HN 0.113 nan 8.180 nan 0.000 0.567 499 L N 1.034 122.184 121.223 -0.122 0.000 2.291 499 L HA -0.092 4.259 4.340 0.018 0.000 0.214 499 L C 1.985 178.774 176.870 -0.136 0.000 1.120 499 L CA 1.319 56.035 54.840 -0.205 0.000 0.799 499 L CB -0.677 41.318 42.059 -0.108 0.000 0.925 499 L HN -0.106 nan 8.230 nan 0.000 0.446 500 L N -0.821 120.307 121.223 -0.158 0.000 2.249 500 L HA 0.175 4.526 4.340 0.018 0.000 0.207 500 L C 2.545 179.102 176.870 -0.521 0.000 1.090 500 L CA 1.463 56.140 54.840 -0.273 0.000 0.802 500 L CB -1.025 40.892 42.059 -0.236 0.000 0.947 500 L HN 0.261 nan 8.230 nan 0.000 0.453 501 A N -0.396 122.136 122.820 -0.480 0.000 1.902 501 A HA -0.221 4.110 4.320 0.018 0.000 0.217 501 A C 2.271 179.547 177.584 -0.512 0.000 1.181 501 A CA 1.696 53.428 52.037 -0.509 0.000 0.623 501 A CB -0.355 18.287 19.000 -0.596 0.000 0.818 501 A HN 0.383 nan 8.150 nan 0.000 0.443 502 K N -0.280 119.670 120.400 -0.750 0.000 2.217 502 K HA 0.080 4.410 4.320 0.018 0.000 0.202 502 K C 2.156 178.602 176.600 -0.257 0.000 1.051 502 K CA 0.834 56.691 56.287 -0.716 0.000 0.952 502 K CB -0.243 31.490 32.500 -1.278 0.000 0.736 502 K HN 0.427 nan 8.250 nan 0.000 0.453 503 A N 0.660 123.328 122.820 -0.254 0.000 1.969 503 A HA -0.144 4.186 4.320 0.018 0.000 0.218 503 A C 1.594 179.071 177.584 -0.179 0.000 1.169 503 A CA 1.121 53.048 52.037 -0.183 0.000 0.635 503 A CB -0.523 18.314 19.000 -0.271 0.000 0.810 503 A HN 0.225 nan 8.150 nan 0.000 0.445 504 Y N -0.561 119.671 120.300 -0.113 0.000 2.373 504 Y HA -0.063 4.497 4.550 0.018 0.000 0.293 504 Y C 2.496 178.391 175.900 -0.009 0.000 1.129 504 Y CA 0.710 58.778 58.100 -0.053 0.000 1.226 504 Y CB -0.542 37.868 38.460 -0.083 0.000 1.000 504 Y HN 0.110 nan 8.280 nan 0.000 0.549 505 V N -1.415 118.580 119.914 0.134 0.000 2.346 505 V HA -0.201 3.929 4.120 0.018 0.000 0.244 505 V C 2.218 178.361 176.094 0.082 0.000 1.037 505 V CA 1.409 63.800 62.300 0.151 0.000 1.029 505 V CB -0.807 31.163 31.823 0.245 0.000 0.663 505 V HN 0.152 nan 8.190 nan 0.000 0.454 506 V N -0.307 119.669 119.914 0.104 0.000 2.490 506 V HA -0.202 3.929 4.120 0.018 0.000 0.250 506 V C 2.434 178.507 176.094 -0.036 0.000 1.061 506 V CA 1.898 64.223 62.300 0.042 0.000 1.064 506 V CB -0.307 31.559 31.823 0.071 0.000 0.670 506 V HN 0.448 nan 8.190 nan 0.000 0.461 507 V N 0.135 120.031 119.914 -0.029 0.000 2.427 507 V HA -0.236 3.894 4.120 0.018 0.000 0.248 507 V C 2.065 178.128 176.094 -0.051 0.000 1.051 507 V CA 2.407 64.679 62.300 -0.047 0.000 1.048 507 V CB -0.519 31.298 31.823 -0.011 0.000 0.666 507 V HN 0.649 nan 8.190 nan 0.000 0.456 508 N N -0.259 118.407 118.700 -0.057 0.000 2.080 508 N HA -0.212 4.539 4.740 0.018 0.000 0.189 508 N C 1.616 176.913 175.510 -0.354 0.000 1.036 508 N CA 1.751 54.721 53.050 -0.132 0.000 0.846 508 N CB -0.124 38.255 38.487 -0.180 0.000 1.015 508 N HN 0.614 nan 8.380 nan 0.000 0.423 509 D N 0.120 120.239 120.400 -0.468 0.000 2.097 509 D HA -0.064 4.587 4.640 0.018 0.000 0.195 509 D C 1.947 178.248 176.300 0.002 0.000 0.989 509 D CA 0.990 54.837 54.000 -0.255 0.000 0.827 509 D CB 0.066 40.845 40.800 -0.036 0.000 0.966 509 D HN -0.027 nan 8.370 nan 0.000 0.456 510 S N -0.989 114.702 115.700 -0.015 0.000 2.365 510 S HA -0.244 4.237 4.470 0.018 0.000 0.225 510 S C 2.159 176.848 174.600 0.149 0.000 1.039 510 S CA 1.115 59.367 58.200 0.086 0.000 1.033 510 S CB -0.609 62.618 63.200 0.045 0.000 0.887 510 S HN 0.539 nan 8.310 nan 0.000 0.447 511 C N 0.100 119.382 119.300 -0.029 0.000 2.453 511 C HA -0.032 4.438 4.460 0.018 0.000 0.277 511 C C 2.312 176.931 174.990 -0.619 0.000 1.262 511 C CA 0.633 59.435 59.018 -0.360 0.000 1.718 511 C CB -1.397 25.895 27.740 -0.747 0.000 2.031 511 C HN 0.717 nan 8.230 nan 0.000 0.480 512 Y N 0.552 120.578 120.300 -0.457 0.000 2.145 512 Y HA -0.197 4.364 4.550 0.017 0.000 0.286 512 Y C 2.671 178.562 175.900 -0.014 0.000 1.145 512 Y CA 2.419 60.431 58.100 -0.147 0.000 1.148 512 Y CB -0.991 37.624 38.460 0.259 0.000 0.981 512 Y HN 0.562 nan 8.280 nan 0.000 0.507 513 H N 0.421 119.599 119.070 0.181 0.000 2.253 513 H HA -0.262 4.304 4.556 0.017 0.000 0.296 513 H C 2.066 177.408 175.328 0.023 0.000 1.074 513 H CA 2.289 58.420 56.048 0.139 0.000 1.263 513 H CB -0.286 29.534 29.762 0.097 0.000 1.363 513 H HN 0.569 nan 8.280 nan 0.000 0.489 514 Q N 0.437 120.117 119.800 -0.201 0.000 2.077 514 Q HA -0.140 4.210 4.340 0.018 0.000 0.206 514 Q C 2.260 178.077 176.000 -0.305 0.000 0.989 514 Q CA 1.969 57.562 55.803 -0.348 0.000 0.853 514 Q CB -0.551 27.766 28.738 -0.702 0.000 0.907 514 Q HN 0.368 nan 8.270 nan 0.000 0.418 515 L N -0.430 120.585 121.223 -0.348 0.000 2.209 515 L HA 0.111 4.461 4.340 0.018 0.000 0.207 515 L C 2.000 178.857 176.870 -0.022 0.000 1.094 515 L CA 0.871 55.604 54.840 -0.179 0.000 0.790 515 L CB -0.082 41.857 42.059 -0.200 0.000 0.932 515 L HN 0.304 nan 8.230 nan 0.000 0.447 516 V N -2.311 117.507 119.914 -0.161 0.000 2.735 516 V HA 0.023 4.154 4.120 0.018 0.000 0.234 516 V C 2.354 178.419 176.094 -0.047 0.000 1.121 516 V CA 0.969 63.182 62.300 -0.146 0.000 1.160 516 V CB -0.035 31.502 31.823 -0.477 0.000 0.908 516 V HN 0.198 nan 8.190 nan 0.000 0.495 517 S N -0.686 115.007 115.700 -0.012 0.000 2.365 517 S HA -0.267 4.214 4.470 0.018 0.000 0.225 517 S C 1.752 176.395 174.600 0.072 0.000 1.039 517 S CA 2.381 60.642 58.200 0.102 0.000 1.033 517 S CB -0.395 62.916 63.200 0.185 0.000 0.887 517 S HN 0.746 nan 8.310 nan 0.000 0.447 518 H N -1.133 117.833 119.070 -0.173 0.000 2.279 518 H HA -0.029 4.537 4.556 0.017 0.000 0.327 518 H C 2.228 177.618 175.328 0.104 0.000 1.122 518 H CA 0.637 56.640 56.048 -0.075 0.000 1.618 518 H CB -0.601 28.991 29.762 -0.282 0.000 1.495 518 H HN 0.509 nan 8.280 nan 0.000 0.592 519 W N 1.666 122.715 121.300 -0.418 0.000 2.302 519 W HA -0.261 4.410 4.660 0.017 0.000 0.320 519 W C 2.009 178.431 176.519 -0.162 0.000 1.241 519 W CA 1.683 58.789 57.345 -0.399 0.000 1.264 519 W CB -0.536 28.702 29.460 -0.370 0.000 1.154 519 W HN 0.388 nan 8.180 nan 0.000 0.483 520 L N 1.588 122.647 121.223 -0.274 0.000 2.034 520 L HA -0.062 4.288 4.340 0.018 0.000 0.203 520 L C 2.075 178.778 176.870 -0.279 0.000 1.074 520 L CA 2.383 56.999 54.840 -0.373 0.000 0.748 520 L CB -1.389 40.614 42.059 -0.093 0.000 0.905 520 L HN -0.057 nan 8.230 nan 0.000 0.439 521 N N -1.900 116.759 118.700 -0.068 0.000 2.453 521 N HA -0.122 4.628 4.740 0.018 0.000 0.183 521 N C 0.835 176.392 175.510 0.078 0.000 1.041 521 N CA 1.162 54.258 53.050 0.077 0.000 0.900 521 N CB 0.159 38.766 38.487 0.200 0.000 0.961 521 N HN 0.431 nan 8.380 nan 0.000 0.443 522 T N -0.993 113.552 114.554 -0.014 0.000 3.571 522 T HA 0.086 4.447 4.350 0.018 0.000 0.217 522 T C 1.314 175.894 174.700 -0.200 0.000 0.925 522 T CA -0.202 61.881 62.100 -0.028 0.000 1.376 522 T CB -0.285 68.650 68.868 0.111 0.000 1.375 522 T HN 0.100 nan 8.240 nan 0.000 0.404 523 H N 1.425 120.276 119.070 -0.365 0.000 2.261 523 H HA -0.167 4.399 4.556 0.017 0.000 0.290 523 H C 2.446 177.384 175.328 -0.650 0.000 1.081 523 H CA 1.967 57.697 56.048 -0.530 0.000 1.196 523 H CB -0.615 28.723 29.762 -0.708 0.000 1.350 523 H HN 0.394 nan 8.280 nan 0.000 0.498 524 A N 0.656 122.922 122.820 -0.923 0.000 1.858 524 A HA -0.122 4.209 4.320 0.018 0.000 0.216 524 A C 2.848 180.174 177.584 -0.429 0.000 1.190 524 A CA 1.779 53.345 52.037 -0.785 0.000 0.617 524 A CB -1.015 17.317 19.000 -1.113 0.000 0.827 524 A HN 0.243 nan 8.150 nan 0.000 0.443 525 V N -0.374 119.331 119.914 -0.348 0.000 2.568 525 V HA -0.199 3.932 4.120 0.018 0.000 0.253 525 V C 2.471 178.733 176.094 0.281 0.000 1.072 525 V CA 1.907 64.159 62.300 -0.079 0.000 1.084 525 V CB -0.237 31.520 31.823 -0.108 0.000 0.676 525 V HN 0.385 nan 8.190 nan 0.000 0.469 526 V N -0.618 119.398 119.914 0.169 0.000 2.649 526 V HA -0.170 3.961 4.120 0.018 0.000 0.248 526 V C 2.310 178.535 176.094 0.220 0.000 1.054 526 V CA 1.726 64.210 62.300 0.307 0.000 1.073 526 V CB -0.282 31.611 31.823 0.116 0.000 0.699 526 V HN 0.654 nan 8.190 nan 0.000 0.463 527 E N 0.716 120.935 120.200 0.032 0.000 2.114 527 E HA -0.247 4.113 4.350 0.018 0.000 0.199 527 E C -0.449 176.146 176.600 -0.008 0.000 1.008 527 E CA 2.103 58.494 56.400 -0.015 0.000 0.810 527 E CB -0.757 28.922 29.700 -0.035 0.000 0.739 527 E HN 0.484 nan 8.360 nan 0.000 0.456 528 P HA -0.121 nan 4.420 nan 0.000 0.220 528 P C 0.561 177.813 177.300 -0.081 0.000 1.148 528 P CA 1.117 64.161 63.100 -0.093 0.000 0.803 528 P CB -0.091 31.346 31.700 -0.439 0.000 0.782 529 F N -0.942 119.035 119.950 0.045 0.000 2.206 529 F HA -0.043 4.495 4.527 0.017 0.000 0.298 529 F C 2.278 177.967 175.800 -0.184 0.000 1.090 529 F CA 1.003 59.034 58.000 0.052 0.000 1.323 529 F CB -0.972 38.135 39.000 0.177 0.000 1.028 529 F HN -0.184 nan 8.300 nan 0.000 0.492 530 I N -0.356 120.044 120.570 -0.284 0.000 2.315 530 I HA -0.267 3.913 4.170 0.018 0.000 0.248 530 I C 2.164 178.171 176.117 -0.184 0.000 1.117 530 I CA 1.327 62.249 61.300 -0.631 0.000 1.404 530 I CB -0.462 37.229 38.000 -0.516 0.000 1.071 530 I HN 0.108 nan 8.210 nan 0.000 0.419 531 I N 0.928 121.469 120.570 -0.048 0.000 2.193 531 I HA -0.216 3.964 4.170 0.018 0.000 0.240 531 I C 2.859 178.959 176.117 -0.028 0.000 1.084 531 I CA 1.282 62.560 61.300 -0.036 0.000 1.365 531 I CB -0.486 37.391 38.000 -0.204 0.000 1.064 531 I HN 0.122 nan 8.210 nan 0.000 0.410 532 A N 0.475 123.373 122.820 0.129 0.000 1.908 532 A HA -0.214 4.116 4.320 0.018 0.000 0.218 532 A C 2.381 180.084 177.584 0.198 0.000 1.181 532 A CA 2.547 54.724 52.037 0.232 0.000 0.627 532 A CB -1.164 17.945 19.000 0.181 0.000 0.818 532 A HN 0.414 nan 8.150 nan 0.000 0.445 533 T N 0.502 115.154 114.554 0.163 0.000 2.674 533 T HA -0.157 4.203 4.350 0.018 0.000 0.265 533 T C 1.766 176.554 174.700 0.148 0.000 1.039 533 T CA 1.865 64.090 62.100 0.208 0.000 1.150 533 T CB -0.548 68.512 68.868 0.320 0.000 0.864 533 T HN 0.658 nan 8.240 nan 0.000 0.427 534 N N 0.411 119.092 118.700 -0.032 0.000 2.223 534 N HA -0.004 4.747 4.740 0.018 0.000 0.185 534 N C 1.980 177.357 175.510 -0.221 0.000 1.016 534 N CA 0.694 53.623 53.050 -0.201 0.000 0.863 534 N CB -0.075 37.805 38.487 -1.013 0.000 0.983 534 N HN 0.286 nan 8.380 nan 0.000 0.429 535 R N -0.853 119.528 120.500 -0.199 0.000 2.189 535 R HA 0.054 4.405 4.340 0.018 0.000 0.218 535 R C 0.836 176.833 176.300 -0.506 0.000 1.074 535 R CA 0.911 56.831 56.100 -0.301 0.000 0.991 535 R CB 0.104 30.237 30.300 -0.279 0.000 0.883 535 R HN 0.472 nan 8.270 nan 0.000 0.457 536 H N -2.068 117.021 119.070 0.030 0.000 3.457 536 H HA 0.168 4.735 4.556 0.018 0.000 0.255 536 H C -0.441 174.903 175.328 0.026 0.000 1.082 536 H CA -0.179 55.892 56.048 0.038 0.000 1.189 536 H CB 0.848 30.641 29.762 0.051 0.000 1.511 536 H HN -0.068 nan 8.280 nan 0.000 0.527 537 L N 1.896 123.199 121.223 0.133 0.000 2.275 537 L HA 0.224 4.575 4.340 0.018 0.000 0.288 537 L C 0.759 177.655 176.870 0.043 0.000 1.046 537 L CA -0.108 54.771 54.840 0.065 0.000 0.805 537 L CB 1.627 43.758 42.059 0.121 0.000 1.193 537 L HN -0.031 nan 8.230 nan 0.000 0.426 538 S N 1.677 117.367 115.700 -0.017 0.000 2.572 538 S HA 0.152 4.633 4.470 0.018 0.000 0.279 538 S C 1.601 175.892 174.600 -0.515 0.000 1.341 538 S CA -0.299 57.770 58.200 -0.219 0.000 1.043 538 S CB 0.835 63.918 63.200 -0.196 0.000 0.887 538 S HN 0.495 nan 8.310 nan 0.000 0.516 539 V N 3.845 123.272 119.914 -0.811 0.000 2.546 539 V HA -0.075 4.055 4.120 0.018 0.000 0.254 539 V C 1.911 177.711 176.094 -0.491 0.000 1.076 539 V CA 1.817 63.424 62.300 -1.156 0.000 1.087 539 V CB -1.101 30.381 31.823 -0.569 0.000 0.674 539 V HN 0.657 nan 8.190 nan 0.000 0.470 540 V N -0.234 119.479 119.914 -0.335 0.000 3.129 540 V HA 0.041 4.172 4.120 0.018 0.000 0.259 540 V C 1.390 177.442 176.094 -0.069 0.000 1.116 540 V CA 0.787 62.985 62.300 -0.170 0.000 1.127 540 V CB -0.997 30.695 31.823 -0.218 0.000 0.742 540 V HN 0.755 nan 8.190 nan 0.000 0.474 541 H N 1.691 120.697 119.070 -0.106 0.000 2.928 541 H HA 0.070 4.636 4.556 0.018 0.000 0.338 541 H C -1.078 174.250 175.328 0.000 0.000 1.047 541 H CA -1.025 55.011 56.048 -0.022 0.000 1.435 541 H CB 1.324 31.117 29.762 0.052 0.000 1.428 541 H HN 0.046 nan 8.280 nan 0.000 0.590 542 P HA -0.231 nan 4.420 nan 0.000 0.215 542 P C 1.325 178.753 177.300 0.214 0.000 1.153 542 P CA 1.202 64.187 63.100 -0.192 0.000 0.853 542 P CB 0.334 31.475 31.700 -0.932 0.000 0.788 543 I N -1.626 119.184 120.570 0.401 0.000 2.394 543 I HA -0.197 3.984 4.170 0.018 0.000 0.251 543 I C 2.593 178.813 176.117 0.171 0.000 1.136 543 I CA 0.918 62.377 61.300 0.265 0.000 1.425 543 I CB -1.725 36.435 38.000 0.268 0.000 1.079 543 I HN -0.079 nan 8.210 nan 0.000 0.425 544 Y N 2.660 123.039 120.300 0.132 0.000 2.097 544 Y HA -0.272 4.288 4.550 0.018 0.000 0.282 544 Y C 2.499 178.434 175.900 0.059 0.000 1.152 544 Y CA 1.958 60.111 58.100 0.089 0.000 1.136 544 Y CB -0.178 38.333 38.460 0.085 0.000 0.975 544 Y HN 0.079 nan 8.280 nan 0.000 0.498 545 K N -0.308 120.281 120.400 0.314 0.000 2.209 545 K HA -0.157 4.174 4.320 0.018 0.000 0.204 545 K C 1.938 178.508 176.600 -0.049 0.000 1.048 545 K CA 1.433 57.858 56.287 0.230 0.000 0.940 545 K CB -0.391 32.356 32.500 0.410 0.000 0.729 545 K HN 0.364 nan 8.250 nan 0.000 0.451 546 L N 0.624 121.734 121.223 -0.189 0.000 2.109 546 L HA -0.092 4.259 4.340 0.018 0.000 0.207 546 L C 1.778 178.471 176.870 -0.295 0.000 1.086 546 L CA 1.425 55.983 54.840 -0.471 0.000 0.760 546 L CB -0.133 41.451 42.059 -0.791 0.000 0.910 546 L HN -0.014 nan 8.230 nan 0.000 0.437 547 L N -0.831 120.226 121.223 -0.276 0.000 2.127 547 L HA -0.084 4.266 4.340 0.018 0.000 0.203 547 L C 2.553 179.001 176.870 -0.703 0.000 1.080 547 L CA 1.592 56.191 54.840 -0.402 0.000 0.768 547 L CB -1.570 40.251 42.059 -0.396 0.000 0.924 547 L HN 0.450 nan 8.230 nan 0.000 0.444 548 H N 1.195 119.849 119.070 -0.694 0.000 2.297 548 H HA -0.182 4.385 4.556 0.018 0.000 0.289 548 H C -0.648 174.431 175.328 -0.415 0.000 1.105 548 H CA 2.727 58.432 56.048 -0.572 0.000 1.219 548 H CB -0.736 28.790 29.762 -0.393 0.000 1.351 548 H HN 0.197 nan 8.280 nan 0.000 0.481 549 P HA -0.165 nan 4.420 nan 0.000 0.217 549 P C 0.875 177.833 177.300 -0.570 0.000 1.148 549 P CA 1.576 64.357 63.100 -0.532 0.000 0.828 549 P CB -0.348 30.972 31.700 -0.633 0.000 0.783 550 H N -2.637 116.235 119.070 -0.329 0.000 2.547 550 H HA 0.067 4.634 4.556 0.017 0.000 0.266 550 H C 0.730 176.014 175.328 -0.073 0.000 0.988 550 H CA 0.537 56.456 56.048 -0.216 0.000 1.147 550 H CB -0.157 29.485 29.762 -0.200 0.000 1.365 550 H HN 0.247 nan 8.280 nan 0.000 0.589 551 Y N 0.303 120.526 120.300 -0.130 0.000 2.467 551 Y HA 0.146 4.706 4.550 0.017 0.000 0.250 551 Y C 1.382 177.197 175.900 -0.141 0.000 1.155 551 Y CA -0.846 57.190 58.100 -0.108 0.000 1.249 551 Y CB 0.046 38.441 38.460 -0.108 0.000 1.146 551 Y HN -0.027 nan 8.280 nan 0.000 0.524 552 R N 2.076 122.506 120.500 -0.118 0.000 2.488 552 R HA -0.123 4.228 4.340 0.018 0.000 0.317 552 R C -0.041 176.102 176.300 -0.261 0.000 0.941 552 R CA 0.868 56.772 56.100 -0.327 0.000 1.076 552 R CB -0.259 29.680 30.300 -0.601 0.000 0.917 552 R HN 0.297 nan 8.270 nan 0.000 0.407 553 D N 1.936 122.293 120.400 -0.070 0.000 3.059 553 D HA -0.178 4.472 4.640 0.018 0.000 0.213 553 D C 0.538 176.881 176.300 0.073 0.000 1.144 553 D CA 2.055 56.107 54.000 0.086 0.000 0.975 553 D CB -0.657 40.128 40.800 -0.025 0.000 1.125 553 D HN 0.755 nan 8.370 nan 0.000 0.412 554 T N -0.915 113.663 114.554 0.040 0.000 2.746 554 T HA -0.076 4.284 4.350 0.018 0.000 0.267 554 T C 2.050 176.782 174.700 0.053 0.000 1.039 554 T CA 1.368 63.475 62.100 0.012 0.000 1.142 554 T CB -0.123 68.733 68.868 -0.019 0.000 0.866 554 T HN 0.322 nan 8.240 nan 0.000 0.444 555 M N 0.990 120.628 119.600 0.063 0.000 2.296 555 M HA -0.039 4.452 4.480 0.018 0.000 0.265 555 M C 2.332 178.666 176.300 0.057 0.000 1.064 555 M CA 0.986 56.313 55.300 0.044 0.000 1.109 555 M CB -0.396 32.214 32.600 0.016 0.000 1.396 555 M HN 0.344 nan 8.290 nan 0.000 0.430 556 N N 0.917 119.670 118.700 0.090 0.000 2.080 556 N HA -0.154 4.597 4.740 0.018 0.000 0.189 556 N C 1.838 177.423 175.510 0.125 0.000 1.036 556 N CA 0.849 53.961 53.050 0.103 0.000 0.846 556 N CB 0.164 38.744 38.487 0.155 0.000 1.015 556 N HN 0.243 nan 8.380 nan 0.000 0.423 557 I N 1.559 122.218 120.570 0.148 0.000 2.361 557 I HA -0.214 3.967 4.170 0.018 0.000 0.251 557 I C 1.060 177.301 176.117 0.207 0.000 1.133 557 I CA 1.316 62.724 61.300 0.179 0.000 1.413 557 I CB -0.564 37.564 38.000 0.214 0.000 1.073 557 I HN 0.246 nan 8.210 nan 0.000 0.424 558 N N 1.202 120.038 118.700 0.227 0.000 2.309 558 N HA -0.086 4.665 4.740 0.018 0.000 0.182 558 N C 1.775 177.416 175.510 0.218 0.000 1.018 558 N CA 1.262 54.490 53.050 0.296 0.000 0.876 558 N CB -0.581 38.047 38.487 0.235 0.000 0.972 558 N HN 0.462 nan 8.380 nan 0.000 0.434 559 G N 0.606 109.483 108.800 0.128 0.000 2.421 559 G HA2 -0.137 3.834 3.960 0.018 0.000 0.217 559 G HA3 -0.137 3.834 3.960 0.018 0.000 0.217 559 G C 1.559 176.499 174.900 0.068 0.000 1.143 559 G CA 0.279 45.425 45.100 0.076 0.000 0.784 559 G HN 0.339 nan 8.290 nan 0.000 0.541 560 L N 0.573 121.844 121.223 0.080 0.000 2.156 560 L HA 0.278 4.628 4.340 0.018 0.000 0.208 560 L C 2.965 179.848 176.870 0.021 0.000 1.095 560 L CA 1.700 56.572 54.840 0.053 0.000 0.770 560 L CB -0.198 41.904 42.059 0.072 0.000 0.914 560 L HN 0.188 nan 8.230 nan 0.000 0.439 561 A N 0.379 123.223 122.820 0.039 0.000 1.877 561 A HA -0.205 4.126 4.320 0.018 0.000 0.216 561 A C 2.369 179.878 177.584 -0.126 0.000 1.186 561 A CA 1.760 53.754 52.037 -0.070 0.000 0.620 561 A CB -0.595 18.390 19.000 -0.025 0.000 0.822 561 A HN 0.507 nan 8.150 nan 0.000 0.443 562 R N -1.313 119.178 120.500 -0.016 0.000 2.152 562 R HA -0.072 4.278 4.340 0.018 0.000 0.232 562 R C 1.982 178.261 176.300 -0.034 0.000 1.117 562 R CA 1.302 57.397 56.100 -0.008 0.000 0.981 562 R CB -0.419 29.919 30.300 0.064 0.000 0.870 562 R HN 0.509 nan 8.270 nan 0.000 0.451 563 L N -0.374 120.834 121.223 -0.025 0.000 2.145 563 L HA 0.016 4.367 4.340 0.018 0.000 0.201 563 L C 1.264 178.110 176.870 -0.040 0.000 1.075 563 L CA 1.689 56.514 54.840 -0.025 0.000 0.773 563 L CB 0.327 42.381 42.059 -0.009 0.000 0.936 563 L HN -0.087 nan 8.230 nan 0.000 0.451 564 S N -1.593 114.077 115.700 -0.050 0.000 2.733 564 S HA 0.272 4.753 4.470 0.018 0.000 0.247 564 S C 0.969 175.523 174.600 -0.077 0.000 1.043 564 S CA -0.365 57.803 58.200 -0.053 0.000 1.066 564 S CB 0.680 63.859 63.200 -0.035 0.000 1.045 564 S HN 0.062 nan 8.310 nan 0.000 0.586 565 L N 0.269 121.415 121.223 -0.127 0.000 2.590 565 L HA 0.428 4.778 4.340 0.018 0.000 0.181 565 L C 1.579 178.294 176.870 -0.258 0.000 1.134 565 L CA 0.884 55.616 54.840 -0.181 0.000 0.850 565 L CB -0.910 41.014 42.059 -0.224 0.000 1.172 565 L HN 0.250 nan 8.230 nan 0.000 0.498 566 V N 2.295 121.986 119.914 -0.371 0.000 3.177 566 V HA 0.195 4.325 4.120 0.018 0.000 0.342 566 V C 0.295 176.217 176.094 -0.287 0.000 1.379 566 V CA -0.285 61.753 62.300 -0.436 0.000 1.191 566 V CB -0.867 30.465 31.823 -0.818 0.000 1.167 566 V HN 0.534 nan 8.190 nan 0.000 0.471 567 N N -0.578 118.006 118.700 -0.193 0.000 2.476 567 N HA 0.057 4.807 4.740 0.018 0.000 0.275 567 N C 0.966 176.408 175.510 -0.113 0.000 1.190 567 N CA 0.406 53.379 53.050 -0.127 0.000 0.977 567 N CB 1.028 39.465 38.487 -0.084 0.000 1.200 567 N HN 0.229 nan 8.380 nan 0.000 0.515 568 D N 0.491 120.839 120.400 -0.087 0.000 2.565 568 D HA -0.228 4.423 4.640 0.018 0.000 0.189 568 D C 1.050 177.282 176.300 -0.115 0.000 1.052 568 D CA 2.696 56.644 54.000 -0.087 0.000 0.889 568 D CB -0.469 40.319 40.800 -0.021 0.000 0.911 568 D HN 0.791 nan 8.370 nan 0.000 0.464 569 G N -1.424 107.327 108.800 -0.082 0.000 3.969 569 G HA2 0.467 4.437 3.960 0.018 0.000 0.291 569 G HA3 0.467 4.437 3.960 0.018 0.000 0.291 569 G C 0.543 175.405 174.900 -0.064 0.000 1.016 569 G CA 0.040 45.089 45.100 -0.085 0.000 0.819 569 G HN 0.519 nan 8.290 nan 0.000 0.493 570 G N 0.150 108.903 108.800 -0.078 0.000 2.785 570 G HA2 0.239 4.210 3.960 0.018 0.000 0.256 570 G HA3 0.239 4.210 3.960 0.018 0.000 0.256 570 G C 1.512 176.377 174.900 -0.057 0.000 1.248 570 G CA 0.493 45.547 45.100 -0.075 0.000 0.914 570 G HN 0.643 nan 8.290 nan 0.000 0.580 571 V N -1.105 118.780 119.914 -0.048 0.000 2.427 571 V HA -0.122 4.009 4.120 0.018 0.000 0.248 571 V C 2.609 178.721 176.094 0.029 0.000 1.051 571 V CA 1.553 63.843 62.300 -0.017 0.000 1.048 571 V CB -0.762 31.057 31.823 -0.007 0.000 0.666 571 V HN 0.461 nan 8.190 nan 0.000 0.456 572 I N 0.708 121.273 120.570 -0.009 0.000 2.353 572 I HA -0.112 4.069 4.170 0.018 0.000 0.248 572 I C 2.690 178.844 176.117 0.062 0.000 1.119 572 I CA 1.472 62.791 61.300 0.031 0.000 1.417 572 I CB -0.474 37.392 38.000 -0.223 0.000 1.078 572 I HN 0.311 nan 8.210 nan 0.000 0.421 573 E N -0.198 119.981 120.200 -0.035 0.000 2.204 573 E HA -0.206 4.155 4.350 0.018 0.000 0.194 573 E C 1.882 178.469 176.600 -0.021 0.000 0.989 573 E CA 0.784 57.158 56.400 -0.044 0.000 0.824 573 E CB -0.018 29.621 29.700 -0.102 0.000 0.756 573 E HN 0.610 nan 8.360 nan 0.000 0.477 574 Q N -0.742 119.050 119.800 -0.014 0.000 2.402 574 Q HA 0.037 4.387 4.340 0.018 0.000 0.206 574 Q C 1.179 177.152 176.000 -0.045 0.000 0.919 574 Q CA 0.751 56.538 55.803 -0.027 0.000 0.923 574 Q CB 0.804 29.528 28.738 -0.023 0.000 1.048 574 Q HN 0.117 nan 8.270 nan 0.000 0.515 575 T N -0.469 114.077 114.554 -0.014 0.000 2.971 575 T HA 0.196 4.557 4.350 0.018 0.000 0.252 575 T C -0.066 174.383 174.700 -0.419 0.000 1.022 575 T CA 0.116 62.107 62.100 -0.181 0.000 0.980 575 T CB 0.271 69.041 68.868 -0.164 0.000 1.044 575 T HN -0.038 nan 8.240 nan 0.000 0.501 576 F N 0.233 120.115 119.950 -0.114 0.000 2.541 576 F HA 0.476 5.013 4.527 0.017 0.000 0.331 576 F C 1.064 176.808 175.800 -0.093 0.000 1.057 576 F CA -1.284 56.636 58.000 -0.134 0.000 0.975 576 F CB 1.153 40.039 39.000 -0.190 0.000 1.246 576 F HN -0.215 nan 8.300 nan 0.000 0.484 577 L N 1.409 122.656 121.223 0.041 0.000 1.997 577 L HA -0.223 4.128 4.340 0.018 0.000 0.216 577 L C 1.682 178.714 176.870 0.270 0.000 1.074 577 L CA 2.015 56.909 54.840 0.089 0.000 0.763 577 L CB -0.464 41.637 42.059 0.071 0.000 0.890 577 L HN 0.620 nan 8.230 nan 0.000 0.434 578 W N 0.635 121.986 121.300 0.085 0.000 2.721 578 W HA 0.247 4.918 4.660 0.019 0.000 0.245 578 W C 1.783 178.325 176.519 0.039 0.000 1.276 578 W CA 0.673 58.057 57.345 0.064 0.000 1.342 578 W CB -1.994 27.477 29.460 0.018 0.000 1.135 578 W HN 0.445 nan 8.180 nan 0.000 0.654 579 G N 1.871 110.791 108.800 0.199 0.000 2.627 579 G HA2 -0.439 3.531 3.960 0.018 0.000 0.312 579 G HA3 -0.439 3.531 3.960 0.018 0.000 0.312 579 G C 1.280 176.139 174.900 -0.068 0.000 1.299 579 G CA 1.644 46.765 45.100 0.035 0.000 0.989 579 G HN 0.406 nan 8.290 nan 0.000 0.547 580 R N -0.354 119.997 120.500 -0.249 0.000 2.341 580 R HA 0.048 4.399 4.340 0.018 0.000 0.213 580 R C 1.629 177.708 176.300 -0.369 0.000 1.082 580 R CA 2.207 58.096 56.100 -0.352 0.000 1.017 580 R CB -0.276 29.743 30.300 -0.468 0.000 0.860 580 R HN 0.587 nan 8.270 nan 0.000 0.473 581 Y N 0.454 120.720 120.300 -0.056 0.000 2.485 581 Y HA 0.341 4.902 4.550 0.018 0.000 0.260 581 Y C 1.933 177.720 175.900 -0.189 0.000 1.173 581 Y CA -0.530 57.468 58.100 -0.170 0.000 1.252 581 Y CB 0.486 38.805 38.460 -0.235 0.000 1.123 581 Y HN 0.031 nan 8.280 nan 0.000 0.524 582 S N 0.132 115.869 115.700 0.061 0.000 2.359 582 S HA -0.196 4.284 4.470 0.018 0.000 0.222 582 S C 2.145 176.772 174.600 0.044 0.000 1.038 582 S CA 2.125 60.416 58.200 0.153 0.000 1.051 582 S CB -0.587 62.627 63.200 0.023 0.000 0.944 582 S HN 0.307 nan 8.310 nan 0.000 0.433 583 V N 1.872 121.702 119.914 -0.140 0.000 2.453 583 V HA -0.137 3.994 4.120 0.018 0.000 0.247 583 V C 2.167 178.064 176.094 -0.329 0.000 1.048 583 V CA 1.567 63.726 62.300 -0.235 0.000 1.049 583 V CB -0.963 30.647 31.823 -0.354 0.000 0.672 583 V HN 0.477 nan 8.190 nan 0.000 0.457 584 E N 0.465 120.409 120.200 -0.426 0.000 2.085 584 E HA -0.239 4.122 4.350 0.018 0.000 0.194 584 E C 2.226 178.611 176.600 -0.358 0.000 0.994 584 E CA 1.661 57.649 56.400 -0.687 0.000 0.801 584 E CB -0.338 28.896 29.700 -0.777 0.000 0.743 584 E HN 0.523 nan 8.360 nan 0.000 0.453 585 M N 1.021 120.418 119.600 -0.338 0.000 2.159 585 M HA -0.152 4.339 4.480 0.018 0.000 0.263 585 M C 2.598 178.873 176.300 -0.042 0.000 1.063 585 M CA 1.623 56.729 55.300 -0.323 0.000 1.110 585 M CB -0.433 31.723 32.600 -0.740 0.000 1.374 585 M HN 0.139 nan 8.290 nan 0.000 0.411 586 S N 0.574 116.323 115.700 0.081 0.000 2.402 586 S HA -0.022 4.459 4.470 0.018 0.000 0.229 586 S C 2.038 176.827 174.600 0.316 0.000 1.021 586 S CA 0.906 59.242 58.200 0.227 0.000 0.974 586 S CB -0.542 62.831 63.200 0.289 0.000 0.800 586 S HN 0.459 nan 8.310 nan 0.000 0.484 587 A N 1.178 124.145 122.820 0.245 0.000 2.014 587 A HA 0.187 4.518 4.320 0.018 0.000 0.218 587 A C 2.285 180.139 177.584 0.449 0.000 1.163 587 A CA 1.202 53.477 52.037 0.396 0.000 0.652 587 A CB -0.760 18.296 19.000 0.093 0.000 0.808 587 A HN 0.434 nan 8.150 nan 0.000 0.449 588 V N -0.612 119.513 119.914 0.351 0.000 2.591 588 V HA -0.147 3.983 4.120 0.018 0.000 0.249 588 V C 2.474 178.728 176.094 0.268 0.000 1.053 588 V CA 1.667 64.155 62.300 0.314 0.000 1.068 588 V CB -0.206 31.774 31.823 0.261 0.000 0.689 588 V HN 0.365 nan 8.190 nan 0.000 0.462 589 V N -0.864 119.204 119.914 0.257 0.000 2.548 589 V HA -0.232 3.898 4.120 0.018 0.000 0.249 589 V C 2.198 178.479 176.094 0.311 0.000 1.055 589 V CA 1.841 64.295 62.300 0.256 0.000 1.065 589 V CB -0.786 31.166 31.823 0.216 0.000 0.681 589 V HN 0.681 nan 8.190 nan 0.000 0.462 590 Y N 1.400 121.831 120.300 0.218 0.000 2.384 590 Y HA -0.218 4.342 4.550 0.018 0.000 0.289 590 Y C 2.346 178.416 175.900 0.284 0.000 1.152 590 Y CA 1.425 59.653 58.100 0.214 0.000 1.258 590 Y CB -0.284 38.276 38.460 0.167 0.000 0.979 590 Y HN 0.174 nan 8.280 nan 0.000 0.549 591 K N -0.196 120.357 120.400 0.256 0.000 2.160 591 K HA -0.190 4.141 4.320 0.018 0.000 0.206 591 K C 0.807 177.477 176.600 0.116 0.000 1.047 591 K CA 1.652 58.037 56.287 0.165 0.000 0.930 591 K CB -0.127 32.483 32.500 0.184 0.000 0.720 591 K HN 0.460 nan 8.250 nan 0.000 0.450 592 D N -1.192 119.292 120.400 0.140 0.000 2.363 592 D HA -0.025 4.625 4.640 0.018 0.000 0.214 592 D C -0.261 176.087 176.300 0.081 0.000 1.093 592 D CA -0.093 53.972 54.000 0.109 0.000 0.837 592 D CB 0.068 40.941 40.800 0.122 0.000 0.948 592 D HN 0.168 nan 8.370 nan 0.000 0.507 593 W N 2.463 123.675 121.300 -0.146 0.000 2.287 593 W HA 0.261 4.931 4.660 0.018 0.000 0.313 593 W C -0.380 175.892 176.519 -0.411 0.000 1.267 593 W CA -0.522 56.697 57.345 -0.209 0.000 1.201 593 W CB 0.842 30.222 29.460 -0.134 0.000 1.196 593 W HN -0.272 nan 8.180 nan 0.000 0.536 594 V N 8.733 127.914 119.914 -1.221 0.000 2.482 594 V HA 0.270 4.401 4.120 0.018 0.000 0.295 594 V C 0.419 175.237 176.094 -2.126 0.000 1.026 594 V CA -0.877 60.159 62.300 -2.106 0.000 0.856 594 V CB 0.778 31.462 31.823 -1.897 0.000 1.001 594 V HN 0.803 nan 8.190 nan 0.000 0.424 595 F N 5.031 123.486 119.950 -2.491 0.000 2.063 595 F HA -0.242 4.296 4.527 0.017 0.000 0.297 595 F C 2.384 177.733 175.800 -0.751 0.000 1.099 595 F CA 3.364 60.516 58.000 -1.414 0.000 1.220 595 F CB -0.449 38.149 39.000 -0.670 0.000 0.972 595 F HN 0.758 nan 8.300 nan 0.000 0.487 596 T N -2.923 111.215 114.554 -0.693 0.000 3.007 596 T HA -0.134 4.226 4.350 0.018 0.000 0.270 596 T C 1.381 175.766 174.700 -0.526 0.000 1.107 596 T CA 1.293 63.080 62.100 -0.522 0.000 1.118 596 T CB -0.479 68.252 68.868 -0.229 0.000 0.889 596 T HN 0.254 nan 8.240 nan 0.000 0.506 597 D N 0.709 120.736 120.400 -0.620 0.000 2.340 597 D HA 0.063 4.713 4.640 0.018 0.000 0.220 597 D C 1.956 177.999 176.300 -0.428 0.000 1.039 597 D CA 0.184 53.898 54.000 -0.477 0.000 0.866 597 D CB 0.089 40.615 40.800 -0.456 0.000 0.913 597 D HN 0.331 nan 8.370 nan 0.000 0.523 598 Q N 0.312 119.821 119.800 -0.486 0.000 2.311 598 Q HA 0.123 4.474 4.340 0.018 0.000 0.203 598 Q C 0.696 176.526 176.000 -0.284 0.000 0.954 598 Q CA 0.109 55.745 55.803 -0.279 0.000 0.885 598 Q CB -0.141 28.468 28.738 -0.214 0.000 0.963 598 Q HN 0.140 nan 8.270 nan 0.000 0.471 599 A N 1.262 123.779 122.820 -0.504 0.000 2.520 599 A HA 0.075 4.405 4.320 0.018 0.000 0.245 599 A C 1.249 178.169 177.584 -1.107 0.000 1.072 599 A CA -0.214 51.272 52.037 -0.918 0.000 0.761 599 A CB 0.119 18.657 19.000 -0.771 0.000 1.004 599 A HN 0.279 nan 8.150 nan 0.000 0.499 600 L N 4.638 124.860 121.223 -1.669 0.000 1.997 600 L HA -0.107 4.243 4.340 0.018 0.000 0.216 600 L C -0.433 175.894 176.870 -0.905 0.000 1.074 600 L CA 3.040 57.166 54.840 -1.189 0.000 0.763 600 L CB -1.030 40.146 42.059 -1.472 0.000 0.890 600 L HN 0.610 nan 8.230 nan 0.000 0.434 601 P HA -0.173 nan 4.420 nan 0.000 0.216 601 P C 1.393 178.431 177.300 -0.436 0.000 1.150 601 P CA 2.117 64.844 63.100 -0.621 0.000 0.837 601 P CB -0.222 31.156 31.700 -0.537 0.000 0.786 602 A N 0.322 122.851 122.820 -0.485 0.000 1.930 602 A HA -0.217 4.114 4.320 0.018 0.000 0.217 602 A C 2.217 179.631 177.584 -0.283 0.000 1.175 602 A CA 2.158 53.992 52.037 -0.339 0.000 0.627 602 A CB -1.621 17.163 19.000 -0.359 0.000 0.815 602 A HN 0.184 nan 8.150 nan 0.000 0.443 603 D N -0.543 119.669 120.400 -0.314 0.000 2.084 603 D HA -0.148 4.503 4.640 0.018 0.000 0.194 603 D C 1.750 177.975 176.300 -0.125 0.000 0.990 603 D CA 1.093 54.979 54.000 -0.191 0.000 0.826 603 D CB -0.172 40.543 40.800 -0.141 0.000 0.971 603 D HN 0.145 nan 8.370 nan 0.000 0.453 604 L N 0.616 121.742 121.223 -0.161 0.000 1.990 604 L HA -0.137 4.213 4.340 0.018 0.000 0.213 604 L C 2.540 179.374 176.870 -0.060 0.000 1.072 604 L CA 1.410 56.191 54.840 -0.098 0.000 0.755 604 L CB -1.112 40.847 42.059 -0.166 0.000 0.889 604 L HN 0.280 nan 8.230 nan 0.000 0.432 605 I N -0.848 119.663 120.570 -0.099 0.000 2.226 605 I HA -0.320 3.860 4.170 0.018 0.000 0.245 605 I C 2.549 178.635 176.117 -0.052 0.000 1.100 605 I CA 1.171 62.430 61.300 -0.069 0.000 1.374 605 I CB -0.388 37.559 38.000 -0.089 0.000 1.057 605 I HN 0.277 nan 8.210 nan 0.000 0.413 606 K N 1.221 121.575 120.400 -0.076 0.000 2.113 606 K HA -0.189 4.141 4.320 0.018 0.000 0.208 606 K C 2.039 178.624 176.600 -0.025 0.000 1.047 606 K CA 1.570 57.818 56.287 -0.064 0.000 0.928 606 K CB -0.002 32.440 32.500 -0.097 0.000 0.716 606 K HN 0.277 nan 8.250 nan 0.000 0.446 607 R N -1.309 119.189 120.500 -0.003 0.000 2.310 607 R HA 0.053 4.404 4.340 0.018 0.000 0.202 607 R C 0.973 177.308 176.300 0.059 0.000 0.933 607 R CA 0.530 56.652 56.100 0.037 0.000 1.054 607 R CB 0.469 30.810 30.300 0.067 0.000 0.985 607 R HN 0.461 nan 8.270 nan 0.000 0.489 608 G N 0.632 109.456 108.800 0.040 0.000 2.148 608 G HA2 -0.248 3.722 3.960 0.018 0.000 0.254 608 G HA3 -0.248 3.722 3.960 0.018 0.000 0.254 608 G C 0.764 175.724 174.900 0.100 0.000 0.981 608 G CA 0.181 45.310 45.100 0.049 0.000 0.670 608 G HN 0.103 nan 8.290 nan 0.000 0.528 609 M N -0.005 119.670 119.600 0.125 0.000 2.595 609 M HA 0.559 5.050 4.480 0.018 0.000 0.248 609 M C 1.132 177.504 176.300 0.121 0.000 1.119 609 M CA 0.804 56.218 55.300 0.189 0.000 1.079 609 M CB -0.671 32.076 32.600 0.245 0.000 1.472 609 M HN 1.156 nan 8.290 nan 0.000 0.501 610 A N 0.871 123.725 122.820 0.056 0.000 2.612 610 A HA 0.813 5.143 4.320 0.018 0.000 0.293 610 A C -1.025 176.561 177.584 0.004 0.000 1.075 610 A CA -0.864 51.184 52.037 0.020 0.000 0.680 610 A CB 1.590 20.574 19.000 -0.027 0.000 1.279 610 A HN 0.296 nan 8.150 nan 0.000 0.411 611 I N -1.854 118.717 120.570 0.000 0.000 2.730 611 I HA 0.581 4.762 4.170 0.018 0.000 0.298 611 I C -0.256 175.855 176.117 -0.011 0.000 1.089 611 I CA -0.736 60.561 61.300 -0.006 0.000 1.041 611 I CB 2.045 40.047 38.000 0.003 0.000 1.235 611 I HN 0.610 nan 8.210 nan 0.000 0.423 612 E N 3.014 123.204 120.200 -0.016 0.000 2.417 612 E HA 0.082 4.442 4.350 0.018 0.000 0.261 612 E C -1.175 175.420 176.600 -0.007 0.000 1.000 612 E CA 0.621 57.012 56.400 -0.015 0.000 0.919 612 E CB 0.664 30.355 29.700 -0.016 0.000 0.955 612 E HN 0.478 nan 8.360 nan 0.000 0.455 613 D N 4.345 124.742 120.400 -0.005 0.000 2.365 613 D HA 0.132 4.782 4.640 0.018 0.000 0.235 613 D C -2.042 174.256 176.300 -0.004 0.000 1.368 613 D CA -1.866 52.133 54.000 -0.003 0.000 1.001 613 D CB 1.349 42.149 40.800 -0.000 0.000 1.364 613 D HN 0.064 nan 8.370 nan 0.000 0.577 614 P HA -0.130 nan 4.420 nan 0.000 0.219 614 P C 1.091 178.383 177.300 -0.014 0.000 1.146 614 P CA 0.728 63.824 63.100 -0.008 0.000 0.808 614 P CB 0.401 32.096 31.700 -0.007 0.000 0.779 615 S N -0.262 115.430 115.700 -0.013 0.000 2.356 615 S HA -0.103 4.378 4.470 0.018 0.000 0.223 615 S C 1.382 175.966 174.600 -0.026 0.000 1.032 615 S CA 0.702 58.891 58.200 -0.017 0.000 1.005 615 S CB -1.313 61.879 63.200 -0.013 0.000 0.867 615 S HN 0.230 nan 8.310 nan 0.000 0.449 616 C N 4.090 123.377 119.300 -0.021 0.000 2.702 616 C HA 0.118 4.589 4.460 0.018 0.000 0.411 616 C C -0.433 174.517 174.990 -0.067 0.000 1.286 616 C CA -1.267 57.733 59.018 -0.030 0.000 1.979 616 C CB -0.348 27.389 27.740 -0.006 0.000 2.728 616 C HN 0.416 nan 8.230 nan 0.000 0.652 617 P HA -0.129 nan 4.420 nan 0.000 0.231 617 P C 0.135 177.118 177.300 -0.529 0.000 1.154 617 P CA 1.701 64.617 63.100 -0.306 0.000 0.762 617 P CB -0.162 31.332 31.700 -0.343 0.000 0.790 618 H N -2.751 116.312 119.070 -0.012 0.000 3.043 618 H HA 0.336 4.902 4.556 0.018 0.000 0.244 618 H C 1.276 176.596 175.328 -0.013 0.000 1.199 618 H CA 0.106 56.150 56.048 -0.006 0.000 0.956 618 H CB 0.367 30.123 29.762 -0.010 0.000 2.305 618 H HN 0.041 nan 8.280 nan 0.000 0.665 619 G N 1.493 110.326 108.800 0.055 0.000 2.196 619 G HA2 -0.330 3.640 3.960 0.018 0.000 0.268 619 G HA3 -0.330 3.640 3.960 0.018 0.000 0.268 619 G C 0.368 175.279 174.900 0.017 0.000 0.975 619 G CA 0.985 46.102 45.100 0.028 0.000 0.648 619 G HN 0.545 nan 8.290 nan 0.000 0.538 620 I N -3.638 116.948 120.570 0.027 0.000 2.769 620 I HA 0.797 4.977 4.170 0.018 0.000 0.298 620 I C -0.314 175.810 176.117 0.012 0.000 1.128 620 I CA -1.643 59.659 61.300 0.004 0.000 1.031 620 I CB 2.123 40.106 38.000 -0.028 0.000 1.235 620 I HN -0.022 nan 8.210 nan 0.000 0.423 621 R N 5.218 125.721 120.500 0.006 0.000 2.255 621 R HA 0.582 4.933 4.340 0.018 0.000 0.326 621 R C -1.648 174.665 176.300 0.021 0.000 0.986 621 R CA -0.664 55.445 56.100 0.015 0.000 0.847 621 R CB 1.376 31.684 30.300 0.014 0.000 1.111 621 R HN 0.825 nan 8.270 nan 0.000 0.452 622 L N 5.023 126.264 121.223 0.030 0.000 2.326 622 L HA 0.289 4.640 4.340 0.018 0.000 0.278 622 L C 0.269 177.187 176.870 0.080 0.000 1.092 622 L CA -0.910 53.959 54.840 0.048 0.000 0.810 622 L CB 1.715 43.797 42.059 0.038 0.000 1.153 622 L HN 0.420 nan 8.230 nan 0.000 0.439 623 V N 2.085 122.074 119.914 0.125 0.000 2.546 623 V HA 0.439 4.570 4.120 0.018 0.000 0.284 623 V C 0.351 176.537 176.094 0.153 0.000 1.050 623 V CA -0.883 61.517 62.300 0.167 0.000 0.981 623 V CB 1.022 33.004 31.823 0.265 0.000 0.990 623 V HN 0.734 nan 8.190 nan 0.000 0.474 624 I N 1.707 122.337 120.570 0.100 0.000 7.863 624 I HA -0.193 3.988 4.170 0.018 0.000 0.126 624 I C 1.145 177.297 176.117 0.058 0.000 1.842 624 I CA 0.495 61.797 61.300 0.003 0.000 2.048 624 I CB -0.670 37.226 38.000 -0.172 0.000 3.719 624 I HN 0.884 nan 8.210 nan 0.000 0.172 625 E N 3.477 123.702 120.200 0.041 0.000 2.285 625 E HA -0.121 4.240 4.350 0.018 0.000 0.194 625 E C 0.711 177.342 176.600 0.052 0.000 0.997 625 E CA 1.068 57.497 56.400 0.048 0.000 0.845 625 E CB 0.073 29.792 29.700 0.031 0.000 0.782 625 E HN 0.707 nan 8.360 nan 0.000 0.491 626 D N 0.727 121.147 120.400 0.033 0.000 3.134 626 D HA -0.069 4.582 4.640 0.018 0.000 0.248 626 D C -0.536 175.795 176.300 0.051 0.000 1.273 626 D CA -0.197 53.819 54.000 0.027 0.000 0.904 626 D CB -0.177 40.619 40.800 -0.007 0.000 1.089 626 D HN 0.046 nan 8.370 nan 0.000 0.478 627 Y N 1.719 121.972 120.300 -0.079 0.000 2.854 627 Y HA 0.284 4.844 4.550 0.017 0.000 0.330 627 Y C -1.940 173.899 175.900 -0.101 0.000 1.037 627 Y CA -3.316 54.727 58.100 -0.096 0.000 1.263 627 Y CB 1.004 39.417 38.460 -0.078 0.000 1.120 627 Y HN -0.110 nan 8.280 nan 0.000 0.532 628 P HA -0.328 nan 4.420 nan 0.000 0.212 628 P C 1.407 178.611 177.300 -0.160 0.000 1.174 628 P CA 2.211 65.223 63.100 -0.147 0.000 0.934 628 P CB -0.207 31.182 31.700 -0.518 0.000 0.791 629 Y N 0.335 120.435 120.300 -0.333 0.000 2.102 629 Y HA -0.288 4.272 4.550 0.018 0.000 0.280 629 Y C 2.091 177.933 175.900 -0.095 0.000 1.178 629 Y CA 2.682 60.747 58.100 -0.058 0.000 1.146 629 Y CB -1.453 37.044 38.460 0.062 0.000 0.968 629 Y HN -0.058 nan 8.280 nan 0.000 0.504 630 T N -0.417 113.759 114.554 -0.630 0.000 2.812 630 T HA -0.119 4.241 4.350 0.018 0.000 0.264 630 T C 2.073 176.534 174.700 -0.398 0.000 1.042 630 T CA 1.533 63.191 62.100 -0.738 0.000 1.140 630 T CB -0.750 67.483 68.868 -1.059 0.000 0.870 630 T HN 0.231 nan 8.240 nan 0.000 0.445 631 V N 2.149 121.927 119.914 -0.227 0.000 2.358 631 V HA -0.144 3.986 4.120 0.018 0.000 0.246 631 V C 2.224 178.283 176.094 -0.060 0.000 1.047 631 V CA 1.724 63.967 62.300 -0.096 0.000 1.035 631 V CB -0.587 31.229 31.823 -0.012 0.000 0.658 631 V HN 0.387 nan 8.190 nan 0.000 0.452 632 D N 0.814 121.201 120.400 -0.021 0.000 2.103 632 D HA -0.056 4.595 4.640 0.018 0.000 0.199 632 D C 2.249 178.558 176.300 0.014 0.000 0.978 632 D CA 1.514 55.543 54.000 0.048 0.000 0.829 632 D CB -0.772 40.135 40.800 0.179 0.000 0.981 632 D HN 0.413 nan 8.370 nan 0.000 0.464 633 G N 0.668 109.433 108.800 -0.058 0.000 2.450 633 G HA2 -0.207 3.764 3.960 0.018 0.000 0.220 633 G HA3 -0.207 3.764 3.960 0.018 0.000 0.220 633 G C 1.453 176.317 174.900 -0.060 0.000 1.130 633 G CA 0.272 45.386 45.100 0.023 0.000 0.760 633 G HN 0.142 nan 8.290 nan 0.000 0.557 634 L N 0.729 121.807 121.223 -0.241 0.000 2.131 634 L HA 0.024 4.374 4.340 0.018 0.000 0.210 634 L C 2.696 179.366 176.870 -0.334 0.000 1.092 634 L CA 1.170 55.782 54.840 -0.380 0.000 0.759 634 L CB -0.658 41.060 42.059 -0.568 0.000 0.903 634 L HN 0.217 nan 8.230 nan 0.000 0.435 635 E N -0.361 119.743 120.200 -0.160 0.000 2.015 635 E HA -0.175 4.185 4.350 0.018 0.000 0.191 635 E C 2.350 178.988 176.600 0.063 0.000 0.991 635 E CA 1.275 57.674 56.400 -0.001 0.000 0.802 635 E CB -0.276 29.456 29.700 0.053 0.000 0.759 635 E HN 0.448 nan 8.360 nan 0.000 0.447 636 I N 0.772 121.416 120.570 0.122 0.000 2.286 636 I HA -0.223 3.958 4.170 0.018 0.000 0.248 636 I C 2.512 178.791 176.117 0.269 0.000 1.115 636 I CA 0.877 62.305 61.300 0.212 0.000 1.392 636 I CB -0.295 37.880 38.000 0.292 0.000 1.065 636 I HN 0.262 nan 8.210 nan 0.000 0.418 637 W N 2.429 123.750 121.300 0.034 0.000 2.355 637 W HA -0.248 4.422 4.660 0.017 0.000 0.309 637 W C 1.842 178.328 176.519 -0.055 0.000 1.206 637 W CA 1.767 59.025 57.345 -0.146 0.000 1.284 637 W CB -0.302 28.816 29.460 -0.571 0.000 1.145 637 W HN 0.147 nan 8.180 nan 0.000 0.502 638 D N 0.463 120.792 120.400 -0.118 0.000 2.144 638 D HA -0.097 4.553 4.640 0.018 0.000 0.200 638 D C 2.429 178.697 176.300 -0.053 0.000 0.978 638 D CA 1.980 55.910 54.000 -0.117 0.000 0.833 638 D CB -0.509 40.348 40.800 0.095 0.000 0.961 638 D HN 0.148 nan 8.370 nan 0.000 0.470 639 A N 0.225 123.081 122.820 0.059 0.000 1.873 639 A HA -0.124 4.207 4.320 0.018 0.000 0.215 639 A C 2.339 180.138 177.584 0.360 0.000 1.186 639 A CA 0.865 53.025 52.037 0.205 0.000 0.616 639 A CB -0.673 18.434 19.000 0.179 0.000 0.823 639 A HN 0.215 nan 8.150 nan 0.000 0.442 640 I N -0.618 120.102 120.570 0.249 0.000 2.142 640 I HA -0.276 3.905 4.170 0.018 0.000 0.240 640 I C 2.578 178.648 176.117 -0.079 0.000 1.078 640 I CA 1.988 63.386 61.300 0.164 0.000 1.343 640 I CB -0.235 37.799 38.000 0.058 0.000 1.046 640 I HN 0.386 nan 8.210 nan 0.000 0.405 641 K N 0.380 120.565 120.400 -0.359 0.000 2.103 641 K HA -0.190 4.141 4.320 0.018 0.000 0.207 641 K C 2.000 178.518 176.600 -0.136 0.000 1.048 641 K CA 1.956 58.004 56.287 -0.397 0.000 0.930 641 K CB -0.089 32.006 32.500 -0.676 0.000 0.716 641 K HN 0.201 nan 8.250 nan 0.000 0.444 642 T N 0.474 115.003 114.554 -0.041 0.000 2.777 642 T HA -0.165 4.196 4.350 0.018 0.000 0.266 642 T C 1.171 175.969 174.700 0.162 0.000 1.040 642 T CA 1.226 63.353 62.100 0.044 0.000 1.141 642 T CB -0.332 68.585 68.868 0.082 0.000 0.868 642 T HN 0.535 nan 8.240 nan 0.000 0.444 643 W N 1.705 122.997 121.300 -0.013 0.000 2.355 643 W HA -0.177 4.494 4.660 0.018 0.000 0.309 643 W C 1.658 178.177 176.519 -0.001 0.000 1.206 643 W CA 0.647 57.958 57.345 -0.056 0.000 1.284 643 W CB -0.566 28.601 29.460 -0.487 0.000 1.145 643 W HN 0.019 nan 8.180 nan 0.000 0.502 644 V N 1.011 120.626 119.914 -0.499 0.000 2.343 644 V HA -0.340 3.791 4.120 0.018 0.000 0.247 644 V C 2.364 178.363 176.094 -0.158 0.000 1.051 644 V CA 2.536 64.501 62.300 -0.558 0.000 1.036 644 V CB -1.469 30.147 31.823 -0.345 0.000 0.654 644 V HN 0.347 nan 8.190 nan 0.000 0.451 645 H N 0.342 119.351 119.070 -0.102 0.000 2.319 645 H HA -0.188 4.378 4.556 0.018 0.000 0.299 645 H C 2.368 177.747 175.328 0.085 0.000 1.092 645 H CA 2.275 58.332 56.048 0.015 0.000 1.302 645 H CB 0.083 29.790 29.762 -0.092 0.000 1.373 645 H HN 0.493 nan 8.280 nan 0.000 0.497 646 E N -0.765 119.585 120.200 0.249 0.000 2.077 646 E HA -0.243 4.118 4.350 0.018 0.000 0.193 646 E C 1.881 178.582 176.600 0.168 0.000 0.989 646 E CA 1.215 57.751 56.400 0.226 0.000 0.800 646 E CB -0.222 29.628 29.700 0.251 0.000 0.746 646 E HN 0.548 nan 8.360 nan 0.000 0.452 647 Y N 1.014 121.260 120.300 -0.090 0.000 2.145 647 Y HA -0.253 4.308 4.550 0.018 0.000 0.286 647 Y C 2.186 178.155 175.900 0.115 0.000 1.145 647 Y CA 1.246 59.287 58.100 -0.099 0.000 1.148 647 Y CB -0.322 37.784 38.460 -0.590 0.000 0.981 647 Y HN -0.180 nan 8.280 nan 0.000 0.507 648 V N -0.406 119.697 119.914 0.314 0.000 2.255 648 V HA -0.317 3.814 4.120 0.018 0.000 0.247 648 V C 1.963 178.198 176.094 0.234 0.000 1.051 648 V CA 2.079 64.574 62.300 0.324 0.000 1.018 648 V CB -0.884 31.075 31.823 0.227 0.000 0.641 648 V HN 0.330 nan 8.190 nan 0.000 0.445 649 F N -0.897 119.039 119.950 -0.024 0.000 2.771 649 F HA 0.023 4.561 4.527 0.017 0.000 0.299 649 F C 1.728 177.484 175.800 -0.073 0.000 1.177 649 F CA 0.495 58.468 58.000 -0.044 0.000 1.450 649 F CB -0.341 38.593 39.000 -0.108 0.000 1.114 649 F HN 0.099 nan 8.300 nan 0.000 0.587 650 L N -1.872 119.346 121.223 -0.008 0.000 2.209 650 L HA -0.081 4.269 4.340 0.018 0.000 0.207 650 L C 1.485 178.020 176.870 -0.557 0.000 1.094 650 L CA 1.707 56.364 54.840 -0.305 0.000 0.790 650 L CB -0.504 41.260 42.059 -0.491 0.000 0.932 650 L HN 0.105 nan 8.230 nan 0.000 0.447 651 Y N -3.254 116.893 120.300 -0.255 0.000 2.524 651 Y HA 0.147 4.707 4.550 0.018 0.000 0.270 651 Y C 0.026 175.641 175.900 -0.475 0.000 1.094 651 Y CA -0.363 57.495 58.100 -0.405 0.000 1.276 651 Y CB 0.088 38.212 38.460 -0.558 0.000 1.130 651 Y HN -0.114 nan 8.280 nan 0.000 0.536 652 Y N 1.339 121.608 120.300 -0.052 0.000 2.385 652 Y HA 0.254 4.815 4.550 0.018 0.000 0.341 652 Y C 1.039 176.829 175.900 -0.183 0.000 0.965 652 Y CA -1.280 56.741 58.100 -0.131 0.000 1.180 652 Y CB 0.944 39.282 38.460 -0.205 0.000 1.139 652 Y HN -0.066 nan 8.280 nan 0.000 0.502 653 K N 1.340 121.749 120.400 0.014 0.000 2.057 653 K HA -0.057 4.274 4.320 0.018 0.000 0.207 653 K C 0.522 177.112 176.600 -0.016 0.000 1.049 653 K CA 1.386 57.666 56.287 -0.011 0.000 0.931 653 K CB 0.105 32.602 32.500 -0.005 0.000 0.714 653 K HN 0.664 nan 8.250 nan 0.000 0.440 654 S N -1.047 114.644 115.700 -0.014 0.000 2.794 654 S HA 0.239 4.719 4.470 0.018 0.000 0.299 654 S C -0.095 174.463 174.600 -0.069 0.000 1.179 654 S CA -0.936 57.245 58.200 -0.032 0.000 0.838 654 S CB 1.241 64.438 63.200 -0.005 0.000 1.206 654 S HN -0.135 nan 8.310 nan 0.000 0.523 655 D N 0.446 120.807 120.400 -0.065 0.000 2.277 655 D HA 0.086 4.737 4.640 0.018 0.000 0.208 655 D C 0.812 177.069 176.300 -0.072 0.000 0.962 655 D CA 0.927 54.871 54.000 -0.093 0.000 0.865 655 D CB -0.286 40.479 40.800 -0.059 0.000 0.939 655 D HN 0.528 nan 8.370 nan 0.000 0.510 656 D N -0.651 119.730 120.400 -0.032 0.000 2.183 656 D HA -0.066 4.585 4.640 0.018 0.000 0.203 656 D C 1.778 178.081 176.300 0.004 0.000 0.969 656 D CA 0.928 54.920 54.000 -0.012 0.000 0.842 656 D CB -0.103 40.698 40.800 0.002 0.000 0.957 656 D HN 0.047 nan 8.370 nan 0.000 0.484 657 T N 0.459 115.029 114.554 0.026 0.000 2.849 657 T HA -0.135 4.226 4.350 0.018 0.000 0.270 657 T C 1.877 176.649 174.700 0.120 0.000 1.066 657 T CA 0.557 62.718 62.100 0.101 0.000 1.130 657 T CB -0.157 68.814 68.868 0.172 0.000 0.864 657 T HN 0.131 nan 8.240 nan 0.000 0.481 658 L N 0.497 121.688 121.223 -0.054 0.000 2.127 658 L HA 0.086 4.436 4.340 0.018 0.000 0.203 658 L C 2.516 179.327 176.870 -0.098 0.000 1.080 658 L CA 1.134 55.833 54.840 -0.236 0.000 0.768 658 L CB -0.089 41.703 42.059 -0.445 0.000 0.924 658 L HN 0.024 nan 8.230 nan 0.000 0.444 659 R N -0.275 120.189 120.500 -0.059 0.000 2.280 659 R HA -0.092 4.259 4.340 0.018 0.000 0.207 659 R C 1.500 177.806 176.300 0.010 0.000 1.043 659 R CA 0.992 57.078 56.100 -0.024 0.000 1.006 659 R CB -0.166 30.122 30.300 -0.019 0.000 0.885 659 R HN 0.531 nan 8.270 nan 0.000 0.467 660 E N 0.505 120.723 120.200 0.030 0.000 2.400 660 E HA -0.034 4.326 4.350 0.018 0.000 0.195 660 E C -0.005 176.643 176.600 0.080 0.000 1.012 660 E CA -0.169 56.261 56.400 0.050 0.000 0.875 660 E CB 0.243 29.975 29.700 0.053 0.000 0.859 660 E HN 0.110 nan 8.360 nan 0.000 0.498 661 D N 1.866 122.333 120.400 0.111 0.000 2.349 661 D HA -0.019 4.631 4.640 0.018 0.000 0.266 661 D C -1.505 174.874 176.300 0.132 0.000 1.293 661 D CA -1.842 52.262 54.000 0.173 0.000 0.926 661 D CB 1.134 42.096 40.800 0.271 0.000 1.090 661 D HN -0.019 nan 8.370 nan 0.000 0.502 662 P HA -0.096 nan 4.420 nan 0.000 0.217 662 P C 0.994 178.356 177.300 0.102 0.000 1.151 662 P CA 0.899 64.055 63.100 0.093 0.000 0.828 662 P CB 0.544 32.294 31.700 0.083 0.000 0.788 663 E N -0.377 119.910 120.200 0.145 0.000 2.072 663 E HA -0.093 4.267 4.350 0.018 0.000 0.191 663 E C 2.060 178.703 176.600 0.071 0.000 0.985 663 E CA 0.472 56.950 56.400 0.129 0.000 0.801 663 E CB -0.508 29.284 29.700 0.152 0.000 0.750 663 E HN 0.094 nan 8.360 nan 0.000 0.452 664 L N 1.182 122.450 121.223 0.075 0.000 2.027 664 L HA -0.187 4.163 4.340 0.018 0.000 0.206 664 L C 2.091 179.014 176.870 0.089 0.000 1.074 664 L CA 1.681 56.557 54.840 0.060 0.000 0.745 664 L CB -0.517 41.604 42.059 0.104 0.000 0.898 664 L HN 0.177 nan 8.230 nan 0.000 0.433 665 Q N -0.041 119.802 119.800 0.072 0.000 2.084 665 Q HA -0.120 4.231 4.340 0.018 0.000 0.202 665 Q C 2.229 178.242 176.000 0.021 0.000 0.978 665 Q CA 1.698 57.540 55.803 0.065 0.000 0.844 665 Q CB -0.469 28.295 28.738 0.042 0.000 0.898 665 Q HN 0.609 nan 8.270 nan 0.000 0.426 666 A N 0.419 123.213 122.820 -0.043 0.000 1.969 666 A HA -0.169 4.162 4.320 0.018 0.000 0.218 666 A C 2.484 179.841 177.584 -0.379 0.000 1.169 666 A CA 1.416 53.315 52.037 -0.231 0.000 0.635 666 A CB -1.055 17.802 19.000 -0.240 0.000 0.810 666 A HN 0.521 nan 8.150 nan 0.000 0.445 667 C N -1.499 117.725 119.300 -0.127 0.000 2.453 667 C HA -0.097 4.374 4.460 0.018 0.000 0.277 667 C C 2.449 177.488 174.990 0.082 0.000 1.262 667 C CA 1.198 60.229 59.018 0.022 0.000 1.718 667 C CB -1.363 26.482 27.740 0.174 0.000 2.031 667 C HN 0.746 nan 8.230 nan 0.000 0.480 668 W N 1.207 122.462 121.300 -0.074 0.000 2.388 668 W HA -0.083 4.588 4.660 0.017 0.000 0.294 668 W C 2.561 178.974 176.519 -0.176 0.000 1.212 668 W CA 1.558 58.854 57.345 -0.082 0.000 1.271 668 W CB -0.371 29.066 29.460 -0.039 0.000 1.126 668 W HN 0.403 nan 8.180 nan 0.000 0.535 669 K N 0.739 121.064 120.400 -0.126 0.000 2.057 669 K HA -0.258 4.073 4.320 0.018 0.000 0.207 669 K C 1.968 178.357 176.600 -0.351 0.000 1.049 669 K CA 1.800 57.937 56.287 -0.250 0.000 0.931 669 K CB -0.404 32.005 32.500 -0.152 0.000 0.714 669 K HN 0.152 nan 8.250 nan 0.000 0.440 670 E N 0.623 120.643 120.200 -0.300 0.000 2.106 670 E HA -0.168 4.192 4.350 0.018 0.000 0.192 670 E C 2.079 178.437 176.600 -0.405 0.000 0.984 670 E CA 0.416 56.655 56.400 -0.268 0.000 0.806 670 E CB 0.047 29.692 29.700 -0.092 0.000 0.750 670 E HN 0.208 nan 8.360 nan 0.000 0.458 671 L N 0.907 121.850 121.223 -0.466 0.000 1.994 671 L HA -0.153 4.198 4.340 0.018 0.000 0.208 671 L C 2.301 178.677 176.870 -0.823 0.000 1.071 671 L CA 1.499 55.955 54.840 -0.640 0.000 0.745 671 L CB -0.703 40.896 42.059 -0.767 0.000 0.892 671 L HN 0.146 nan 8.230 nan 0.000 0.431 672 V N 0.291 119.554 119.914 -1.085 0.000 2.244 672 V HA -0.262 3.869 4.120 0.018 0.000 0.244 672 V C 2.416 178.052 176.094 -0.763 0.000 1.042 672 V CA 2.005 63.529 62.300 -1.294 0.000 1.006 672 V CB -0.678 30.295 31.823 -1.418 0.000 0.641 672 V HN 0.431 nan 8.190 nan 0.000 0.446 673 E N -0.558 119.303 120.200 -0.566 0.000 2.274 673 E HA -0.069 4.291 4.350 0.018 0.000 0.194 673 E C 1.752 178.150 176.600 -0.336 0.000 0.996 673 E CA 1.021 57.195 56.400 -0.376 0.000 0.840 673 E CB 0.206 29.734 29.700 -0.286 0.000 0.772 673 E HN 0.519 nan 8.360 nan 0.000 0.491 674 V N -0.992 118.656 119.914 -0.442 0.000 3.430 674 V HA 0.119 4.250 4.120 0.018 0.000 0.211 674 V C 2.162 177.860 176.094 -0.660 0.000 1.173 674 V CA 0.786 62.768 62.300 -0.530 0.000 1.310 674 V CB -1.023 30.386 31.823 -0.690 0.000 1.361 674 V HN 0.287 nan 8.190 nan 0.000 0.512 675 G N 0.169 108.401 108.800 -0.946 0.000 2.606 675 G HA2 -0.280 3.690 3.960 0.018 0.000 0.221 675 G HA3 -0.280 3.690 3.960 0.018 0.000 0.221 675 G C 1.056 175.610 174.900 -0.576 0.000 1.152 675 G CA 1.617 46.248 45.100 -0.781 0.000 0.765 675 G HN 0.627 nan 8.290 nan 0.000 0.595 676 H N 0.185 119.060 119.070 -0.326 0.000 2.505 676 H HA 0.257 4.823 4.556 0.018 0.000 0.260 676 H C 2.179 177.486 175.328 -0.034 0.000 1.168 676 H CA 0.177 56.197 56.048 -0.045 0.000 0.945 676 H CB 0.252 30.128 29.762 0.190 0.000 1.800 676 H HN 0.324 nan 8.280 nan 0.000 0.586 677 G N 0.655 109.396 108.800 -0.099 0.000 2.562 677 G HA2 -0.281 3.689 3.960 0.018 0.000 0.223 677 G HA3 -0.281 3.689 3.960 0.018 0.000 0.223 677 G C 1.221 176.138 174.900 0.028 0.000 1.102 677 G CA 0.721 45.763 45.100 -0.097 0.000 0.742 677 G HN 0.339 nan 8.290 nan 0.000 0.587 678 D N -0.126 120.366 120.400 0.153 0.000 2.348 678 D HA 0.023 4.674 4.640 0.018 0.000 0.216 678 D C 1.914 178.359 176.300 0.242 0.000 0.970 678 D CA 0.825 54.955 54.000 0.216 0.000 0.889 678 D CB 0.121 41.121 40.800 0.333 0.000 0.912 678 D HN 0.316 nan 8.370 nan 0.000 0.524 679 K N -0.026 120.553 120.400 0.297 0.000 2.438 679 K HA 0.075 4.406 4.320 0.018 0.000 0.205 679 K C 1.524 178.271 176.600 0.245 0.000 1.033 679 K CA -0.135 56.350 56.287 0.329 0.000 1.089 679 K CB 0.732 33.575 32.500 0.572 0.000 0.857 679 K HN 0.003 nan 8.250 nan 0.000 0.522 680 K N -0.124 120.284 120.400 0.014 0.000 2.286 680 K HA -0.177 4.154 4.320 0.018 0.000 0.203 680 K C 0.735 177.238 176.600 -0.161 0.000 1.045 680 K CA 1.800 57.949 56.287 -0.229 0.000 0.935 680 K CB -0.199 32.168 32.500 -0.222 0.000 0.737 680 K HN 0.072 nan 8.250 nan 0.000 0.460 681 N N 0.465 119.135 118.700 -0.050 0.000 2.230 681 N HA 0.024 4.774 4.740 0.018 0.000 0.202 681 N C -0.844 174.624 175.510 -0.070 0.000 1.119 681 N CA -0.332 52.687 53.050 -0.051 0.000 0.851 681 N CB 0.473 38.942 38.487 -0.030 0.000 0.990 681 N HN 0.147 nan 8.380 nan 0.000 0.497 682 E N 1.209 121.335 120.200 -0.124 0.000 2.360 682 E HA 0.028 4.389 4.350 0.018 0.000 0.269 682 E C -1.564 174.766 176.600 -0.450 0.000 1.022 682 E CA -1.770 54.349 56.400 -0.469 0.000 0.887 682 E CB 0.669 29.612 29.700 -1.263 0.000 0.990 682 E HN 0.184 nan 8.360 nan 0.000 0.426 683 P HA -0.035 nan 4.420 nan 0.000 0.245 683 P C 0.636 177.920 177.300 -0.026 0.000 1.212 683 P CA 0.637 63.669 63.100 -0.113 0.000 0.774 683 P CB 0.006 31.697 31.700 -0.014 0.000 0.999 684 W N -2.665 118.652 121.300 0.028 0.000 3.316 684 W HA 0.261 4.932 4.660 0.018 0.000 0.327 684 W C -0.602 175.936 176.519 0.032 0.000 1.232 684 W CA -1.022 56.307 57.345 -0.025 0.000 1.805 684 W CB -1.190 28.180 29.460 -0.150 0.000 1.090 684 W HN -0.193 nan 8.180 nan 0.000 0.654 685 W N 5.256 126.617 121.300 0.101 0.000 2.356 685 W HA 0.221 4.891 4.660 0.017 0.000 0.311 685 W C -1.495 175.230 176.519 0.343 0.000 1.328 685 W CA -1.629 55.865 57.345 0.248 0.000 1.251 685 W CB 0.251 29.687 29.460 -0.039 0.000 1.280 685 W HN -0.324 nan 8.180 nan 0.000 0.524 686 P HA 0.022 nan 4.420 nan 0.000 0.268 686 P C -0.664 176.907 177.300 0.453 0.000 1.205 686 P CA 0.087 63.472 63.100 0.476 0.000 0.771 686 P CB 0.803 32.736 31.700 0.389 0.000 0.858 687 K N 2.571 123.109 120.400 0.230 0.000 2.183 687 K HA 0.307 4.638 4.320 0.018 0.000 0.274 687 K C 0.397 176.987 176.600 -0.017 0.000 1.009 687 K CA -0.879 55.507 56.287 0.164 0.000 0.888 687 K CB 0.812 33.382 32.500 0.117 0.000 1.078 687 K HN 0.337 nan 8.250 nan 0.000 0.459 688 M N 3.731 123.273 119.600 -0.097 0.000 3.759 688 M HA 0.012 4.502 4.480 0.018 0.000 0.190 688 M C 0.440 176.669 176.300 -0.118 0.000 1.478 688 M CA 0.479 55.645 55.300 -0.224 0.000 1.691 688 M CB -0.536 31.904 32.600 -0.266 0.000 1.113 688 M HN 0.382 nan 8.290 nan 0.000 0.542 689 Q N -0.984 118.768 119.800 -0.080 0.000 2.281 689 Q HA 0.270 4.621 4.340 0.018 0.000 0.215 689 Q C -0.013 175.939 176.000 -0.080 0.000 0.867 689 Q CA 0.459 56.227 55.803 -0.058 0.000 0.940 689 Q CB 1.035 29.765 28.738 -0.014 0.000 1.111 689 Q HN 0.316 nan 8.270 nan 0.000 0.513 690 T N -0.548 113.944 114.554 -0.102 0.000 2.906 690 T HA 0.400 4.761 4.350 0.018 0.000 0.295 690 T C 0.834 175.439 174.700 -0.159 0.000 1.061 690 T CA -0.625 61.415 62.100 -0.099 0.000 1.000 690 T CB 2.136 70.985 68.868 -0.032 0.000 1.103 690 T HN -0.076 nan 8.240 nan 0.000 0.486 691 R N 0.616 121.005 120.500 -0.185 0.000 2.115 691 R HA -0.046 4.305 4.340 0.018 0.000 0.230 691 R C 1.801 178.066 176.300 -0.058 0.000 1.111 691 R CA 1.044 56.984 56.100 -0.268 0.000 0.976 691 R CB 0.031 30.004 30.300 -0.545 0.000 0.870 691 R HN 0.534 nan 8.270 nan 0.000 0.445 692 E N 0.844 121.077 120.200 0.054 0.000 2.150 692 E HA -0.152 4.209 4.350 0.018 0.000 0.193 692 E C 1.429 178.062 176.600 0.056 0.000 0.985 692 E CA 1.178 57.651 56.400 0.121 0.000 0.814 692 E CB 0.166 29.944 29.700 0.130 0.000 0.752 692 E HN 0.323 nan 8.360 nan 0.000 0.466 693 E N -0.536 119.662 120.200 -0.003 0.000 2.208 693 E HA -0.129 4.232 4.350 0.018 0.000 0.193 693 E C 1.791 178.342 176.600 -0.083 0.000 0.988 693 E CA 0.433 56.821 56.400 -0.021 0.000 0.828 693 E CB 0.025 29.697 29.700 -0.046 0.000 0.763 693 E HN 0.161 nan 8.360 nan 0.000 0.478 694 L N 0.519 121.663 121.223 -0.132 0.000 2.131 694 L HA -0.078 4.272 4.340 0.018 0.000 0.206 694 L C 2.070 178.908 176.870 -0.054 0.000 1.087 694 L CA 1.098 55.843 54.840 -0.159 0.000 0.767 694 L CB -0.067 41.872 42.059 -0.200 0.000 0.917 694 L HN -0.102 nan 8.230 nan 0.000 0.441 695 V N -0.271 119.639 119.914 -0.006 0.000 2.295 695 V HA -0.252 3.878 4.120 0.018 0.000 0.246 695 V C 2.632 178.737 176.094 0.019 0.000 1.049 695 V CA 1.817 64.131 62.300 0.022 0.000 1.024 695 V CB -0.652 31.227 31.823 0.094 0.000 0.648 695 V HN 0.453 nan 8.190 nan 0.000 0.447 696 E N 0.697 120.930 120.200 0.053 0.000 2.058 696 E HA -0.193 4.167 4.350 0.018 0.000 0.194 696 E C 2.198 178.871 176.600 0.122 0.000 0.997 696 E CA 1.783 58.237 56.400 0.089 0.000 0.801 696 E CB -0.621 29.142 29.700 0.104 0.000 0.746 696 E HN 0.505 nan 8.360 nan 0.000 0.450 697 A N -0.302 122.617 122.820 0.165 0.000 1.902 697 A HA -0.220 4.110 4.320 0.018 0.000 0.217 697 A C 2.595 180.354 177.584 0.292 0.000 1.181 697 A CA 1.647 53.909 52.037 0.375 0.000 0.623 697 A CB -1.024 18.055 19.000 0.133 0.000 0.818 697 A HN 0.493 nan 8.150 nan 0.000 0.443 698 C N -1.215 118.152 119.300 0.111 0.000 2.440 698 C HA 0.143 4.614 4.460 0.018 0.000 0.278 698 C C 3.311 178.305 174.990 0.006 0.000 1.295 698 C CA 0.552 59.599 59.018 0.049 0.000 1.738 698 C CB -1.283 26.437 27.740 -0.032 0.000 1.987 698 C HN 0.704 nan 8.230 nan 0.000 0.492 699 A N 0.677 123.482 122.820 -0.025 0.000 1.877 699 A HA -0.137 4.194 4.320 0.018 0.000 0.216 699 A C 1.974 179.612 177.584 0.091 0.000 1.186 699 A CA 1.678 53.647 52.037 -0.113 0.000 0.620 699 A CB -0.588 18.226 19.000 -0.310 0.000 0.822 699 A HN 0.564 nan 8.150 nan 0.000 0.443 700 I N -0.403 120.281 120.570 0.189 0.000 2.179 700 I HA -0.267 3.913 4.170 0.018 0.000 0.242 700 I C 2.346 178.604 176.117 0.235 0.000 1.088 700 I CA 1.353 62.795 61.300 0.236 0.000 1.357 700 I CB -0.322 37.552 38.000 -0.210 0.000 1.051 700 I HN 0.313 nan 8.210 nan 0.000 0.409 701 I N 0.615 121.287 120.570 0.170 0.000 2.118 701 I HA -0.344 3.836 4.170 0.018 0.000 0.241 701 I C 2.447 178.598 176.117 0.056 0.000 1.070 701 I CA 1.819 63.164 61.300 0.075 0.000 1.327 701 I CB -0.294 37.705 38.000 -0.001 0.000 1.034 701 I HN 0.159 nan 8.210 nan 0.000 0.405 702 I N -0.335 120.228 120.570 -0.012 0.000 2.226 702 I HA -0.331 3.850 4.170 0.018 0.000 0.245 702 I C 2.457 178.559 176.117 -0.026 0.000 1.100 702 I CA 1.410 62.587 61.300 -0.205 0.000 1.374 702 I CB -0.579 37.224 38.000 -0.328 0.000 1.057 702 I HN 0.566 nan 8.210 nan 0.000 0.413 703 W N 2.301 123.603 121.300 0.004 0.000 2.335 703 W HA -0.241 4.430 4.660 0.019 0.000 0.311 703 W C 2.228 178.829 176.519 0.136 0.000 1.213 703 W CA 2.076 59.503 57.345 0.137 0.000 1.274 703 W CB -0.470 29.209 29.460 0.365 0.000 1.148 703 W HN 0.091 nan 8.180 nan 0.000 0.498 704 T N 1.573 116.187 114.554 0.101 0.000 2.746 704 T HA -0.147 4.214 4.350 0.018 0.000 0.267 704 T C 2.056 176.736 174.700 -0.033 0.000 1.039 704 T CA 2.232 64.339 62.100 0.011 0.000 1.142 704 T CB -0.728 68.243 68.868 0.171 0.000 0.866 704 T HN 0.250 nan 8.240 nan 0.000 0.444 705 A N 1.253 124.068 122.820 -0.009 0.000 2.066 705 A HA 0.022 4.352 4.320 0.018 0.000 0.218 705 A C 2.368 179.957 177.584 0.009 0.000 1.157 705 A CA 1.698 53.733 52.037 -0.004 0.000 0.670 705 A CB -0.370 18.662 19.000 0.053 0.000 0.804 705 A HN 0.598 nan 8.150 nan 0.000 0.453 706 S N -1.189 114.489 115.700 -0.037 0.000 3.049 706 S HA 0.470 4.951 4.470 0.018 0.000 0.182 706 S C 2.148 176.716 174.600 -0.054 0.000 0.725 706 S CA 0.681 58.888 58.200 0.012 0.000 0.811 706 S CB -0.827 62.394 63.200 0.035 0.000 0.801 706 S HN 0.752 nan 8.310 nan 0.000 0.627 707 A N 1.319 124.001 122.820 -0.231 0.000 1.933 707 A HA 0.092 4.423 4.320 0.018 0.000 0.218 707 A C 2.266 179.556 177.584 -0.491 0.000 1.175 707 A CA 1.640 53.447 52.037 -0.383 0.000 0.628 707 A CB -1.053 17.610 19.000 -0.562 0.000 0.814 707 A HN 0.500 nan 8.150 nan 0.000 0.444 708 L N -0.811 119.961 121.223 -0.753 0.000 2.005 708 L HA -0.170 4.180 4.340 0.018 0.000 0.207 708 L C 2.479 179.322 176.870 -0.044 0.000 1.072 708 L CA 2.593 57.195 54.840 -0.396 0.000 0.744 708 L CB -0.758 41.065 42.059 -0.393 0.000 0.895 708 L HN 0.654 nan 8.230 nan 0.000 0.433 709 H N -0.678 118.349 119.070 -0.072 0.000 2.353 709 H HA -0.135 4.431 4.556 0.017 0.000 0.300 709 H C 1.883 177.282 175.328 0.119 0.000 1.090 709 H CA 1.475 57.549 56.048 0.043 0.000 1.327 709 H CB 0.298 30.069 29.762 0.015 0.000 1.383 709 H HN 0.459 nan 8.280 nan 0.000 0.508 710 A N 1.231 124.117 122.820 0.109 0.000 1.902 710 A HA -0.068 4.262 4.320 0.018 0.000 0.217 710 A C 2.696 180.390 177.584 0.182 0.000 1.181 710 A CA 1.662 53.889 52.037 0.317 0.000 0.623 710 A CB -1.041 18.110 19.000 0.252 0.000 0.818 710 A HN 0.575 nan 8.150 nan 0.000 0.443 711 A N -1.013 121.867 122.820 0.100 0.000 1.972 711 A HA 0.046 4.377 4.320 0.018 0.000 0.219 711 A C 2.117 179.771 177.584 0.116 0.000 1.169 711 A CA 1.864 53.990 52.037 0.149 0.000 0.635 711 A CB -0.523 18.655 19.000 0.297 0.000 0.810 711 A HN 0.407 nan 8.150 nan 0.000 0.446 712 V N -0.550 119.399 119.914 0.058 0.000 3.125 712 V HA -0.049 4.081 4.120 0.018 0.000 0.249 712 V C 2.046 178.141 176.094 0.002 0.000 1.113 712 V CA 1.735 64.097 62.300 0.104 0.000 1.106 712 V CB -0.370 31.521 31.823 0.112 0.000 0.768 712 V HN 0.759 nan 8.190 nan 0.000 0.468 713 N N -0.502 118.018 118.700 -0.300 0.000 2.436 713 N HA 0.025 4.776 4.740 0.018 0.000 0.178 713 N C 1.411 176.608 175.510 -0.521 0.000 1.026 713 N CA 0.644 53.324 53.050 -0.615 0.000 0.880 713 N CB 0.004 37.785 38.487 -1.176 0.000 1.061 713 N HN 0.309 nan 8.380 nan 0.000 0.434 714 F N -0.157 119.710 119.950 -0.138 0.000 2.748 714 F HA 0.285 4.822 4.527 0.016 0.000 0.299 714 F C 2.004 177.847 175.800 0.072 0.000 1.154 714 F CA 0.495 58.454 58.000 -0.067 0.000 1.446 714 F CB 0.093 39.032 39.000 -0.103 0.000 1.112 714 F HN 0.117 nan 8.300 nan 0.000 0.584 715 G N -1.220 107.724 108.800 0.239 0.000 3.337 715 G HA2 0.037 4.008 3.960 0.018 0.000 0.246 715 G HA3 0.037 4.008 3.960 0.018 0.000 0.246 715 G C 1.256 176.345 174.900 0.315 0.000 1.131 715 G CA -0.133 45.233 45.100 0.444 0.000 0.773 715 G HN 0.247 nan 8.290 nan 0.000 0.544 716 Q N -0.510 119.386 119.800 0.161 0.000 1.993 716 Q HA -0.168 4.182 4.340 0.018 0.000 0.202 716 Q C 1.927 177.993 176.000 0.111 0.000 0.984 716 Q CA 1.426 57.292 55.803 0.105 0.000 0.837 716 Q CB -0.188 28.583 28.738 0.054 0.000 0.902 716 Q HN 0.597 nan 8.270 nan 0.000 0.423 717 Y N 1.006 121.321 120.300 0.025 0.000 2.220 717 Y HA -0.075 4.487 4.550 0.021 0.000 0.291 717 Y C -0.941 174.920 175.900 -0.065 0.000 1.129 717 Y CA 1.039 59.131 58.100 -0.013 0.000 1.161 717 Y CB -0.725 37.739 38.460 0.006 0.000 0.997 717 Y HN 0.082 nan 8.280 nan 0.000 0.522 718 P HA -0.199 nan 4.420 nan 0.000 0.216 718 P C 0.669 177.749 177.300 -0.367 0.000 1.150 718 P CA 1.969 64.948 63.100 -0.202 0.000 0.843 718 P CB -0.120 31.392 31.700 -0.313 0.000 0.787 719 Y N -1.591 118.612 120.300 -0.162 0.000 2.314 719 Y HA 0.292 4.853 4.550 0.018 0.000 0.294 719 Y C 2.605 178.357 175.900 -0.247 0.000 1.139 719 Y CA 1.270 59.263 58.100 -0.178 0.000 1.162 719 Y CB -1.076 37.333 38.460 -0.086 0.000 1.121 719 Y HN -0.143 nan 8.280 nan 0.000 0.529 720 G N -0.989 107.774 108.800 -0.061 0.000 3.042 720 G HA2 0.080 4.051 3.960 0.018 0.000 0.212 720 G HA3 0.080 4.051 3.960 0.018 0.000 0.212 720 G C 1.701 176.386 174.900 -0.360 0.000 1.166 720 G CA 0.517 45.505 45.100 -0.186 0.000 0.767 720 G HN 0.466 nan 8.290 nan 0.000 0.546 721 G N -0.099 108.325 108.800 -0.628 0.000 2.708 721 G HA2 0.072 4.043 3.960 0.018 0.000 0.210 721 G HA3 0.072 4.043 3.960 0.018 0.000 0.210 721 G C 0.470 174.951 174.900 -0.698 0.000 1.141 721 G CA -0.021 44.366 45.100 -1.189 0.000 0.788 721 G HN 0.377 nan 8.290 nan 0.000 0.531 722 L N 1.278 122.207 121.223 -0.490 0.000 2.324 722 L HA 0.409 4.760 4.340 0.018 0.000 0.274 722 L C 1.108 177.723 176.870 -0.425 0.000 1.012 722 L CA -0.698 53.916 54.840 -0.376 0.000 0.859 722 L CB 1.378 43.188 42.059 -0.416 0.000 1.224 722 L HN 0.024 nan 8.230 nan 0.000 0.429 723 I N 3.817 124.158 120.570 -0.381 0.000 2.315 723 I HA -0.285 3.895 4.170 0.018 0.000 0.251 723 I C 1.728 177.590 176.117 -0.426 0.000 1.125 723 I CA 1.444 62.528 61.300 -0.360 0.000 1.392 723 I CB 0.199 38.025 38.000 -0.291 0.000 1.065 723 I HN 0.636 nan 8.210 nan 0.000 0.424 724 L N 0.301 121.166 121.223 -0.597 0.000 2.046 724 L HA -0.253 4.097 4.340 0.018 0.000 0.208 724 L C 2.246 178.518 176.870 -0.997 0.000 1.077 724 L CA 1.851 56.227 54.840 -0.774 0.000 0.747 724 L CB -1.622 39.673 42.059 -1.273 0.000 0.896 724 L HN 0.462 nan 8.230 nan 0.000 0.432 725 N N -0.530 117.534 118.700 -1.060 0.000 2.300 725 N HA -0.085 4.666 4.740 0.018 0.000 0.179 725 N C 0.420 175.762 175.510 -0.279 0.000 1.016 725 N CA 0.421 53.069 53.050 -0.670 0.000 0.876 725 N CB 0.345 38.525 38.487 -0.512 0.000 0.979 725 N HN 0.125 nan 8.380 nan 0.000 0.432 726 R N 1.281 121.605 120.500 -0.292 0.000 2.651 726 R HA 0.367 4.718 4.340 0.018 0.000 0.282 726 R C -2.686 173.484 176.300 -0.216 0.000 1.565 726 R CA -1.574 54.408 56.100 -0.198 0.000 1.661 726 R CB 1.525 31.722 30.300 -0.172 0.000 1.189 726 R HN 0.218 nan 8.270 nan 0.000 0.621 727 P HA 0.044 nan 4.420 nan 0.000 0.269 727 P C 0.975 178.130 177.300 -0.242 0.000 1.209 727 P CA 0.174 63.129 63.100 -0.241 0.000 0.776 727 P CB 0.884 32.435 31.700 -0.248 0.000 0.876 728 T N -0.124 114.237 114.554 -0.321 0.000 3.039 728 T HA 0.199 4.560 4.350 0.018 0.000 0.250 728 T C 0.674 175.178 174.700 -0.327 0.000 1.052 728 T CA 0.362 62.190 62.100 -0.455 0.000 1.125 728 T CB -0.177 68.189 68.868 -0.838 0.000 0.908 728 T HN 0.322 nan 8.240 nan 0.000 0.473 729 L N -1.027 120.048 121.223 -0.246 0.000 2.415 729 L HA 0.839 5.190 4.340 0.018 0.000 0.256 729 L C -1.520 175.282 176.870 -0.114 0.000 1.010 729 L CA -0.979 53.772 54.840 -0.147 0.000 0.826 729 L CB 1.455 43.430 42.059 -0.140 0.000 1.405 729 L HN -0.093 nan 8.230 nan 0.000 0.410 730 S N 0.553 116.220 115.700 -0.055 0.000 2.449 730 S HA 0.603 5.084 4.470 0.018 0.000 0.310 730 S C 0.562 175.118 174.600 -0.073 0.000 1.096 730 S CA -0.586 57.600 58.200 -0.024 0.000 1.095 730 S CB 1.706 64.981 63.200 0.125 0.000 1.007 730 S HN 0.699 nan 8.310 nan 0.000 0.474 731 R N 1.622 122.075 120.500 -0.079 0.000 2.437 731 R HA 0.305 4.655 4.340 0.018 0.000 0.257 731 R C 0.127 176.360 176.300 -0.112 0.000 0.927 731 R CA 0.062 56.101 56.100 -0.101 0.000 1.078 731 R CB 0.597 30.853 30.300 -0.074 0.000 1.161 731 R HN 0.368 nan 8.270 nan 0.000 0.529 732 R N -0.049 120.403 120.500 -0.079 0.000 2.740 732 R HA 0.323 4.674 4.340 0.018 0.000 0.273 732 R C -1.214 175.106 176.300 0.033 0.000 0.998 732 R CA -0.765 55.316 56.100 -0.031 0.000 0.900 732 R CB 1.480 31.824 30.300 0.074 0.000 1.223 732 R HN -0.165 nan 8.270 nan 0.000 0.466 733 F N 0.953 120.995 119.950 0.154 0.000 2.370 733 F HA 0.349 4.887 4.527 0.019 0.000 0.319 733 F C 1.064 177.055 175.800 0.318 0.000 1.129 733 F CA -0.756 57.351 58.000 0.178 0.000 1.109 733 F CB 0.620 39.656 39.000 0.059 0.000 1.262 733 F HN 0.308 nan 8.300 nan 0.000 0.534 734 M N 3.932 123.894 119.600 0.605 0.000 2.327 734 M HA 0.172 4.663 4.480 0.018 0.000 0.353 734 M C -2.292 174.232 176.300 0.373 0.000 1.539 734 M CA -1.300 54.272 55.300 0.454 0.000 1.039 734 M CB -0.261 32.553 32.600 0.357 0.000 1.967 734 M HN 0.134 nan 8.290 nan 0.000 0.459 735 P HA -0.030 nan 4.420 nan 0.000 0.265 735 P C -1.044 176.477 177.300 0.368 0.000 1.187 735 P CA 0.189 63.471 63.100 0.303 0.000 0.766 735 P CB 0.356 32.207 31.700 0.252 0.000 0.820 736 E N 1.965 122.343 120.200 0.296 0.000 2.283 736 E HA 0.089 4.450 4.350 0.018 0.000 0.267 736 E C 0.857 177.517 176.600 0.100 0.000 1.045 736 E CA -0.642 55.890 56.400 0.220 0.000 0.884 736 E CB 0.655 30.438 29.700 0.138 0.000 1.106 736 E HN 0.226 nan 8.360 nan 0.000 0.408 737 K N 0.917 121.286 120.400 -0.052 0.000 2.261 737 K HA -0.317 4.013 4.320 0.018 0.000 0.198 737 K C 1.152 177.270 176.600 -0.803 0.000 0.749 737 K CA 2.374 58.452 56.287 -0.348 0.000 1.080 737 K CB -0.544 31.856 32.500 -0.167 0.000 1.044 737 K HN 0.647 nan 8.250 nan 0.000 0.617 738 G N -1.094 107.495 108.800 -0.353 0.000 3.815 738 G HA2 0.204 4.175 3.960 0.018 0.000 0.265 738 G HA3 0.204 4.175 3.960 0.018 0.000 0.265 738 G C -0.323 174.593 174.900 0.026 0.000 1.026 738 G CA -0.180 44.780 45.100 -0.232 0.000 0.868 738 G HN 0.220 nan 8.290 nan 0.000 0.476 739 S N 0.161 115.901 115.700 0.068 0.000 2.589 739 S HA 0.315 4.795 4.470 0.018 0.000 0.256 739 S C 1.936 176.621 174.600 0.142 0.000 1.383 739 S CA 0.261 58.522 58.200 0.101 0.000 0.983 739 S CB 0.902 64.167 63.200 0.107 0.000 0.908 739 S HN 0.593 nan 8.310 nan 0.000 0.572 740 A N 0.704 123.589 122.820 0.108 0.000 2.225 740 A HA -0.071 4.260 4.320 0.018 0.000 0.215 740 A C 1.756 179.409 177.584 0.114 0.000 1.164 740 A CA 0.925 53.022 52.037 0.101 0.000 0.710 740 A CB -0.333 18.711 19.000 0.073 0.000 0.780 740 A HN 0.735 nan 8.150 nan 0.000 0.473 741 E N -1.714 118.572 120.200 0.143 0.000 2.190 741 E HA -0.086 4.275 4.350 0.018 0.000 0.191 741 E C 1.520 178.220 176.600 0.167 0.000 0.978 741 E CA 0.812 57.297 56.400 0.143 0.000 0.839 741 E CB -0.443 29.352 29.700 0.159 0.000 0.787 741 E HN 0.803 nan 8.360 nan 0.000 0.473 742 Y N 1.788 122.136 120.300 0.080 0.000 2.420 742 Y HA -0.041 4.520 4.550 0.018 0.000 0.292 742 Y C 2.129 178.067 175.900 0.062 0.000 1.119 742 Y CA 1.112 59.260 58.100 0.080 0.000 1.229 742 Y CB 0.417 38.928 38.460 0.084 0.000 1.026 742 Y HN -0.105 nan 8.280 nan 0.000 0.554 743 E N 0.499 120.838 120.200 0.232 0.000 2.158 743 E HA -0.157 4.204 4.350 0.018 0.000 0.191 743 E C 1.959 178.595 176.600 0.060 0.000 0.982 743 E CA 1.143 57.632 56.400 0.148 0.000 0.823 743 E CB -0.086 29.691 29.700 0.129 0.000 0.766 743 E HN 0.652 nan 8.360 nan 0.000 0.468 744 E N -0.262 119.967 120.200 0.049 0.000 2.230 744 E HA -0.067 4.294 4.350 0.018 0.000 0.192 744 E C 1.995 178.587 176.600 -0.013 0.000 0.987 744 E CA 0.189 56.602 56.400 0.022 0.000 0.841 744 E CB -0.002 29.719 29.700 0.035 0.000 0.783 744 E HN 0.253 nan 8.360 nan 0.000 0.481 745 L N 0.706 121.902 121.223 -0.045 0.000 2.083 745 L HA -0.162 4.188 4.340 0.018 0.000 0.209 745 L C 2.668 179.467 176.870 -0.119 0.000 1.083 745 L CA 1.212 55.992 54.840 -0.099 0.000 0.752 745 L CB -0.196 41.740 42.059 -0.204 0.000 0.899 745 L HN 0.202 nan 8.230 nan 0.000 0.433 746 R N -0.274 120.155 120.500 -0.118 0.000 2.057 746 R HA -0.163 4.188 4.340 0.018 0.000 0.229 746 R C 2.245 178.519 176.300 -0.043 0.000 1.136 746 R CA 1.285 57.338 56.100 -0.078 0.000 0.952 746 R CB -0.064 30.221 30.300 -0.024 0.000 0.848 746 R HN 0.154 nan 8.270 nan 0.000 0.430 747 K N 0.003 120.390 120.400 -0.022 0.000 2.097 747 K HA -0.043 4.288 4.320 0.018 0.000 0.205 747 K C 0.497 177.077 176.600 -0.032 0.000 1.050 747 K CA 0.862 57.139 56.287 -0.016 0.000 0.938 747 K CB 0.034 32.535 32.500 0.001 0.000 0.718 747 K HN -0.024 nan 8.250 nan 0.000 0.442 748 N N -0.868 117.809 118.700 -0.038 0.000 2.710 748 N HA 0.183 4.934 4.740 0.018 0.000 0.244 748 N C -2.605 172.868 175.510 -0.062 0.000 1.321 748 N CA -1.743 51.275 53.050 -0.052 0.000 0.758 748 N CB 1.205 39.675 38.487 -0.029 0.000 1.284 748 N HN -0.217 nan 8.380 nan 0.000 0.530 749 P HA -0.105 nan 4.420 nan 0.000 0.216 749 P C 1.198 178.444 177.300 -0.089 0.000 1.153 749 P CA 1.159 64.205 63.100 -0.091 0.000 0.848 749 P CB 0.580 32.206 31.700 -0.123 0.000 0.787 750 Q N -0.231 119.422 119.800 -0.245 0.000 2.112 750 Q HA -0.238 4.113 4.340 0.018 0.000 0.206 750 Q C 2.196 178.199 176.000 0.004 0.000 0.987 750 Q CA 1.725 57.298 55.803 -0.384 0.000 0.858 750 Q CB -0.395 27.947 28.738 -0.661 0.000 0.905 750 Q HN 0.071 nan 8.270 nan 0.000 0.420 751 K N 0.558 120.961 120.400 0.005 0.000 2.217 751 K HA -0.032 4.298 4.320 0.018 0.000 0.202 751 K C 1.624 178.281 176.600 0.096 0.000 1.051 751 K CA 1.230 57.560 56.287 0.073 0.000 0.952 751 K CB -0.262 32.262 32.500 0.040 0.000 0.736 751 K HN 0.164 nan 8.250 nan 0.000 0.453 752 A N -0.527 122.341 122.820 0.081 0.000 1.969 752 A HA -0.103 4.228 4.320 0.018 0.000 0.218 752 A C 2.120 179.775 177.584 0.119 0.000 1.169 752 A CA 1.224 53.309 52.037 0.080 0.000 0.635 752 A CB -0.798 18.231 19.000 0.048 0.000 0.810 752 A HN 0.481 nan 8.150 nan 0.000 0.445 753 Y N -0.060 120.274 120.300 0.056 0.000 2.184 753 Y HA -0.096 4.464 4.550 0.017 0.000 0.290 753 Y C 1.960 177.912 175.900 0.086 0.000 1.129 753 Y CA 1.311 59.463 58.100 0.088 0.000 1.144 753 Y CB -0.169 38.450 38.460 0.264 0.000 0.995 753 Y HN 0.186 nan 8.280 nan 0.000 0.513 754 L N 0.909 122.302 121.223 0.283 0.000 2.079 754 L HA -0.246 4.105 4.340 0.018 0.000 0.210 754 L C 2.027 178.931 176.870 0.057 0.000 1.081 754 L CA 1.760 56.708 54.840 0.180 0.000 0.752 754 L CB -1.080 41.132 42.059 0.254 0.000 0.896 754 L HN 0.253 nan 8.230 nan 0.000 0.433 755 K N -1.554 118.872 120.400 0.043 0.000 2.432 755 K HA 0.006 4.337 4.320 0.018 0.000 0.196 755 K C 1.725 178.302 176.600 -0.037 0.000 1.038 755 K CA 0.914 57.209 56.287 0.012 0.000 0.986 755 K CB 0.052 32.572 32.500 0.033 0.000 0.782 755 K HN 0.325 nan 8.250 nan 0.000 0.485 756 T N 1.476 115.970 114.554 -0.099 0.000 3.035 756 T HA 0.083 4.443 4.350 0.018 0.000 0.259 756 T C 1.180 175.756 174.700 -0.206 0.000 1.078 756 T CA 0.270 62.282 62.100 -0.146 0.000 1.132 756 T CB -0.021 68.704 68.868 -0.238 0.000 0.900 756 T HN 0.255 nan 8.240 nan 0.000 0.480 757 I N -0.362 120.044 120.570 -0.273 0.000 3.062 757 I HA 0.473 4.654 4.170 0.018 0.000 0.316 757 I C -0.295 175.723 176.117 -0.165 0.000 1.041 757 I CA -1.099 60.039 61.300 -0.269 0.000 1.069 757 I CB 0.588 38.346 38.000 -0.404 0.000 1.300 757 I HN -0.212 nan 8.210 nan 0.000 0.518 758 T N 4.022 118.470 114.554 -0.175 0.000 2.723 758 T HA 0.015 4.376 4.350 0.018 0.000 0.260 758 T C -2.092 172.561 174.700 -0.078 0.000 1.019 758 T CA -0.248 61.763 62.100 -0.149 0.000 1.155 758 T CB -0.828 67.921 68.868 -0.199 0.000 1.024 758 T HN 0.535 nan 8.240 nan 0.000 0.491 759 P HA 0.148 nan 4.420 nan 0.000 0.274 759 P C 0.929 178.189 177.300 -0.066 0.000 1.260 759 P CA -0.609 62.462 63.100 -0.049 0.000 0.793 759 P CB 0.922 32.587 31.700 -0.058 0.000 1.048 760 K N -0.030 120.277 120.400 -0.154 0.000 2.032 760 K HA -0.193 4.138 4.320 0.018 0.000 0.209 760 K C 1.992 178.492 176.600 -0.166 0.000 1.048 760 K CA 1.482 57.580 56.287 -0.316 0.000 0.927 760 K CB -0.619 31.580 32.500 -0.502 0.000 0.712 760 K HN 0.264 nan 8.250 nan 0.000 0.441 761 F N 1.926 121.596 119.950 -0.465 0.000 2.095 761 F HA -0.213 4.324 4.527 0.016 0.000 0.298 761 F C 2.151 177.729 175.800 -0.370 0.000 1.104 761 F CA 1.725 59.268 58.000 -0.762 0.000 1.232 761 F CB -0.310 38.071 39.000 -1.032 0.000 0.987 761 F HN 0.120 nan 8.300 nan 0.000 0.475 762 Q N -0.521 119.066 119.800 -0.355 0.000 2.167 762 Q HA -0.106 4.245 4.340 0.018 0.000 0.202 762 Q C 2.261 178.075 176.000 -0.311 0.000 0.970 762 Q CA 1.993 57.578 55.803 -0.363 0.000 0.855 762 Q CB -0.771 27.836 28.738 -0.218 0.000 0.911 762 Q HN 0.314 nan 8.270 nan 0.000 0.438 763 T N 0.368 114.796 114.554 -0.209 0.000 2.788 763 T HA -0.065 4.296 4.350 0.018 0.000 0.268 763 T C 1.516 176.107 174.700 -0.182 0.000 1.044 763 T CA 0.816 62.830 62.100 -0.144 0.000 1.139 763 T CB -0.130 68.773 68.868 0.058 0.000 0.867 763 T HN 0.197 nan 8.240 nan 0.000 0.454 764 L N 0.011 121.120 121.223 -0.191 0.000 2.217 764 L HA 0.042 4.393 4.340 0.018 0.000 0.211 764 L C 2.222 178.984 176.870 -0.180 0.000 1.107 764 L CA 0.859 55.610 54.840 -0.149 0.000 0.783 764 L CB -0.436 41.593 42.059 -0.051 0.000 0.919 764 L HN 0.299 nan 8.230 nan 0.000 0.442 765 I N -0.151 120.225 120.570 -0.322 0.000 2.206 765 I HA -0.264 3.916 4.170 0.018 0.000 0.239 765 I C 2.227 178.274 176.117 -0.117 0.000 1.078 765 I CA 1.417 62.565 61.300 -0.254 0.000 1.367 765 I CB -0.290 37.488 38.000 -0.370 0.000 1.078 765 I HN 0.213 nan 8.210 nan 0.000 0.413 766 D N 1.080 121.388 120.400 -0.153 0.000 2.133 766 D HA -0.230 4.420 4.640 0.018 0.000 0.195 766 D C 2.052 178.334 176.300 -0.030 0.000 0.997 766 D CA 1.624 55.567 54.000 -0.095 0.000 0.840 766 D CB 0.028 40.711 40.800 -0.196 0.000 0.947 766 D HN 0.062 nan 8.370 nan 0.000 0.452 767 L N -0.006 121.163 121.223 -0.090 0.000 2.056 767 L HA -0.067 4.284 4.340 0.018 0.000 0.207 767 L C 2.595 179.580 176.870 0.191 0.000 1.078 767 L CA 1.219 56.036 54.840 -0.037 0.000 0.749 767 L CB -0.623 41.169 42.059 -0.446 0.000 0.901 767 L HN -0.011 nan 8.230 nan 0.000 0.433 768 S N -1.311 114.510 115.700 0.201 0.000 2.370 768 S HA -0.167 4.314 4.470 0.018 0.000 0.226 768 S C 2.006 176.767 174.600 0.267 0.000 1.033 768 S CA 1.428 59.829 58.200 0.335 0.000 1.011 768 S CB -0.244 63.103 63.200 0.245 0.000 0.852 768 S HN 0.215 nan 8.310 nan 0.000 0.457 769 V N 2.577 122.592 119.914 0.169 0.000 2.323 769 V HA -0.094 4.037 4.120 0.018 0.000 0.244 769 V C 2.030 178.206 176.094 0.136 0.000 1.041 769 V CA 1.686 64.068 62.300 0.136 0.000 1.025 769 V CB -0.646 31.235 31.823 0.098 0.000 0.656 769 V HN 0.661 nan 8.190 nan 0.000 0.451 770 I N -2.017 118.646 120.570 0.154 0.000 3.176 770 I HA -0.046 4.134 4.170 0.018 0.000 0.275 770 I C 2.032 178.265 176.117 0.193 0.000 1.298 770 I CA 1.457 62.852 61.300 0.159 0.000 1.445 770 I CB -0.431 37.668 38.000 0.165 0.000 1.075 770 I HN 0.290 nan 8.210 nan 0.000 0.482 771 E N 1.490 121.799 120.200 0.182 0.000 2.230 771 E HA -0.025 4.336 4.350 0.018 0.000 0.192 771 E C 2.143 178.741 176.600 -0.004 0.000 0.987 771 E CA 0.613 56.999 56.400 -0.024 0.000 0.841 771 E CB 0.188 29.830 29.700 -0.096 0.000 0.783 771 E HN 0.668 nan 8.360 nan 0.000 0.481 772 I N 0.366 120.974 120.570 0.063 0.000 2.339 772 I HA -0.208 3.973 4.170 0.018 0.000 0.245 772 I C 2.051 178.185 176.117 0.029 0.000 1.096 772 I CA 0.341 61.671 61.300 0.049 0.000 1.408 772 I CB -0.032 38.010 38.000 0.070 0.000 1.092 772 I HN 0.116 nan 8.210 nan 0.000 0.423 773 L N 0.444 121.683 121.223 0.026 0.000 2.127 773 L HA -0.184 4.166 4.340 0.018 0.000 0.211 773 L C 2.168 178.933 176.870 -0.176 0.000 1.089 773 L CA 1.633 56.454 54.840 -0.032 0.000 0.757 773 L CB -0.627 41.426 42.059 -0.009 0.000 0.899 773 L HN 0.096 nan 8.230 nan 0.000 0.434 774 S N -1.394 114.251 115.700 -0.092 0.000 2.634 774 S HA 0.162 4.642 4.470 0.018 0.000 0.221 774 S C 0.826 175.469 174.600 0.073 0.000 0.952 774 S CA -0.133 58.021 58.200 -0.077 0.000 0.930 774 S CB -0.132 63.117 63.200 0.080 0.000 0.780 774 S HN 0.246 nan 8.310 nan 0.000 0.498 775 R N 1.196 121.725 120.500 0.049 0.000 2.573 775 R HA 0.384 4.735 4.340 0.018 0.000 0.272 775 R C -0.682 175.691 176.300 0.122 0.000 1.009 775 R CA -0.546 55.608 56.100 0.089 0.000 1.059 775 R CB 0.583 30.920 30.300 0.061 0.000 1.112 775 R HN 0.285 nan 8.270 nan 0.000 0.517 776 H N 0.183 119.389 119.070 0.226 0.000 2.505 776 H HA 0.297 4.864 4.556 0.017 0.000 0.338 776 H C -0.476 174.900 175.328 0.080 0.000 1.057 776 H CA -0.570 55.576 56.048 0.164 0.000 1.202 776 H CB 1.907 31.749 29.762 0.134 0.000 1.466 776 H HN 0.687 nan 8.280 nan 0.000 0.499 777 A N 2.031 124.934 122.820 0.140 0.000 2.407 777 A HA 0.124 4.455 4.320 0.018 0.000 0.248 777 A C 1.526 179.139 177.584 0.048 0.000 1.082 777 A CA 0.201 52.253 52.037 0.026 0.000 0.785 777 A CB 0.282 19.231 19.000 -0.085 0.000 1.020 777 A HN 0.852 nan 8.150 nan 0.000 0.489 778 S N 0.476 116.195 115.700 0.032 0.000 2.440 778 S HA -0.161 4.320 4.470 0.018 0.000 0.238 778 S C 0.621 175.249 174.600 0.046 0.000 1.010 778 S CA 1.513 59.743 58.200 0.050 0.000 0.972 778 S CB -0.391 62.833 63.200 0.039 0.000 0.774 778 S HN 0.798 nan 8.310 nan 0.000 0.501 779 D N 0.306 120.723 120.400 0.028 0.000 2.525 779 D HA 0.249 4.899 4.640 0.018 0.000 0.229 779 D C 0.011 176.289 176.300 -0.036 0.000 1.202 779 D CA -0.516 53.500 54.000 0.027 0.000 0.828 779 D CB -0.476 40.366 40.800 0.071 0.000 1.008 779 D HN 0.488 nan 8.370 nan 0.000 0.493 780 E N 0.258 120.393 120.200 -0.108 0.000 2.384 780 E HA 0.186 4.546 4.350 0.018 0.000 0.266 780 E C -0.741 175.600 176.600 -0.432 0.000 1.012 780 E CA -0.353 55.847 56.400 -0.334 0.000 0.901 780 E CB 0.972 30.329 29.700 -0.570 0.000 0.967 780 E HN -0.045 nan 8.360 nan 0.000 0.435 781 V N 6.529 126.216 119.914 -0.377 0.000 2.333 781 V HA 0.191 4.322 4.120 0.018 0.000 0.274 781 V C -0.624 175.297 176.094 -0.288 0.000 1.028 781 V CA -0.492 61.668 62.300 -0.232 0.000 0.851 781 V CB -0.251 31.479 31.823 -0.155 0.000 1.000 781 V HN 0.605 nan 8.190 nan 0.000 0.456 782 Y N 3.107 123.371 120.300 -0.060 0.000 2.316 782 Y HA 0.251 4.810 4.550 0.016 0.000 0.324 782 Y C 1.039 176.923 175.900 -0.026 0.000 1.267 782 Y CA -0.532 57.528 58.100 -0.067 0.000 1.311 782 Y CB 0.862 39.245 38.460 -0.129 0.000 1.267 782 Y HN 0.484 nan 8.280 nan 0.000 0.516 783 L N 1.979 123.306 121.223 0.173 0.000 2.263 783 L HA -0.049 4.302 4.340 0.018 0.000 0.216 783 L C 1.821 178.715 176.870 0.040 0.000 1.111 783 L CA 1.441 56.380 54.840 0.166 0.000 0.773 783 L CB -0.953 41.204 42.059 0.162 0.000 0.906 783 L HN 0.878 nan 8.230 nan 0.000 0.439 784 G N 0.644 109.435 108.800 -0.014 0.000 2.707 784 G HA2 -0.022 3.949 3.960 0.018 0.000 0.271 784 G HA3 -0.022 3.949 3.960 0.018 0.000 0.271 784 G C 0.506 175.312 174.900 -0.155 0.000 0.681 784 G CA 0.543 45.556 45.100 -0.145 0.000 2.072 784 G HN 0.699 nan 8.290 nan 0.000 0.569 785 E N -0.685 119.381 120.200 -0.222 0.000 2.210 785 E HA -0.275 4.085 4.350 0.018 0.000 0.201 785 E C 0.140 176.787 176.600 0.078 0.000 1.339 785 E CA 0.896 57.117 56.400 -0.298 0.000 0.699 785 E CB -1.387 27.952 29.700 -0.601 0.000 1.126 785 E HN 0.653 nan 8.360 nan 0.000 0.355 786 R N 1.124 121.766 120.500 0.235 0.000 2.599 786 R HA 0.645 4.996 4.340 0.018 0.000 0.295 786 R C -0.887 175.488 176.300 0.125 0.000 0.963 786 R CA -0.405 55.806 56.100 0.186 0.000 0.883 786 R CB 1.320 31.679 30.300 0.098 0.000 1.171 786 R HN 0.326 nan 8.270 nan 0.000 0.450 787 D N 0.064 120.507 120.400 0.072 0.000 2.837 787 D HA 0.337 4.987 4.640 0.018 0.000 0.294 787 D C -0.059 176.252 176.300 0.018 0.000 1.158 787 D CA -0.528 53.416 54.000 -0.093 0.000 1.073 787 D CB 1.109 41.746 40.800 -0.272 0.000 1.419 787 D HN 0.363 nan 8.370 nan 0.000 0.584 788 N N -0.367 118.360 118.700 0.046 0.000 2.358 788 N HA 0.269 5.019 4.740 0.018 0.000 0.209 788 N C -1.646 173.959 175.510 0.157 0.000 1.033 788 N CA 0.600 53.718 53.050 0.113 0.000 1.021 788 N CB -1.361 37.220 38.487 0.156 0.000 1.244 788 N HN 0.316 nan 8.380 nan 0.000 0.523 789 P HA 0.299 nan 4.420 nan 0.000 0.328 789 P C -0.905 176.580 177.300 0.307 0.000 1.257 789 P CA -0.174 63.061 63.100 0.225 0.000 0.795 789 P CB 0.461 32.298 31.700 0.229 0.000 1.903 790 N N 0.864 119.731 118.700 0.279 0.000 3.105 790 N HA 0.093 4.844 4.740 0.018 0.000 0.256 790 N C 1.163 176.781 175.510 0.180 0.000 1.174 790 N CA -0.619 52.566 53.050 0.224 0.000 1.030 790 N CB -0.406 38.134 38.487 0.088 0.000 1.305 790 N HN 0.405 nan 8.380 nan 0.000 0.509 791 W N 0.902 122.240 121.300 0.063 0.000 2.313 791 W HA -0.078 4.593 4.660 0.018 0.000 0.293 791 W C 0.009 176.554 176.519 0.043 0.000 1.216 791 W CA 0.386 57.760 57.345 0.048 0.000 1.223 791 W CB -1.166 28.302 29.460 0.014 0.000 1.138 791 W HN 0.284 nan 8.180 nan 0.000 0.535 792 T N -0.386 113.834 114.554 -0.557 0.000 2.864 792 T HA 0.342 4.703 4.350 0.018 0.000 0.299 792 T C 0.665 175.129 174.700 -0.392 0.000 1.166 792 T CA 0.118 61.931 62.100 -0.479 0.000 1.007 792 T CB 1.739 70.206 68.868 -0.668 0.000 1.219 792 T HN -0.004 nan 8.240 nan 0.000 0.506 793 S N 0.983 116.519 115.700 -0.273 0.000 2.539 793 S HA 0.202 4.683 4.470 0.018 0.000 0.221 793 S C 0.224 174.705 174.600 -0.198 0.000 0.987 793 S CA -0.196 57.878 58.200 -0.210 0.000 0.929 793 S CB 0.088 63.184 63.200 -0.172 0.000 0.832 793 S HN 0.655 nan 8.310 nan 0.000 0.492 794 D N 2.248 122.517 120.400 -0.218 0.000 2.359 794 D HA 0.228 4.879 4.640 0.018 0.000 0.250 794 D C 0.882 177.085 176.300 -0.161 0.000 1.264 794 D CA 0.295 54.195 54.000 -0.167 0.000 0.911 794 D CB 1.150 41.889 40.800 -0.101 0.000 1.056 794 D HN 0.094 nan 8.370 nan 0.000 0.499 795 T N 3.937 118.416 114.554 -0.125 0.000 2.720 795 T HA -0.170 4.190 4.350 0.018 0.000 0.268 795 T C 1.859 176.535 174.700 -0.041 0.000 1.037 795 T CA 1.196 63.246 62.100 -0.082 0.000 1.144 795 T CB 0.130 68.955 68.868 -0.071 0.000 0.864 795 T HN 0.475 nan 8.240 nan 0.000 0.444 796 R N 1.124 121.586 120.500 -0.062 0.000 2.091 796 R HA 0.004 4.355 4.340 0.018 0.000 0.238 796 R C 2.748 179.077 176.300 0.049 0.000 1.136 796 R CA 1.409 57.489 56.100 -0.033 0.000 0.959 796 R CB -0.480 29.753 30.300 -0.112 0.000 0.856 796 R HN 0.332 nan 8.270 nan 0.000 0.437 797 A N 1.211 124.051 122.820 0.033 0.000 1.873 797 A HA -0.114 4.217 4.320 0.018 0.000 0.215 797 A C 2.058 179.875 177.584 0.388 0.000 1.186 797 A CA 0.969 53.147 52.037 0.236 0.000 0.616 797 A CB -0.419 18.685 19.000 0.174 0.000 0.823 797 A HN 0.117 nan 8.150 nan 0.000 0.442 798 L N -0.236 121.072 121.223 0.142 0.000 2.081 798 L HA -0.179 4.172 4.340 0.018 0.000 0.212 798 L C 2.290 179.347 176.870 0.313 0.000 1.080 798 L CA 2.219 57.183 54.840 0.206 0.000 0.754 798 L CB -0.848 41.219 42.059 0.014 0.000 0.893 798 L HN 0.419 nan 8.230 nan 0.000 0.433 799 E N -1.285 119.047 120.200 0.221 0.000 2.112 799 E HA -0.014 4.347 4.350 0.018 0.000 0.190 799 E C 2.258 179.008 176.600 0.251 0.000 0.979 799 E CA 1.046 57.556 56.400 0.184 0.000 0.814 799 E CB -0.246 29.522 29.700 0.113 0.000 0.762 799 E HN 0.429 nan 8.360 nan 0.000 0.460 800 A N 0.064 123.108 122.820 0.373 0.000 1.933 800 A HA -0.165 4.165 4.320 0.018 0.000 0.218 800 A C 2.021 179.924 177.584 0.533 0.000 1.175 800 A CA 1.131 53.473 52.037 0.508 0.000 0.628 800 A CB -0.733 18.672 19.000 0.676 0.000 0.814 800 A HN 0.380 nan 8.150 nan 0.000 0.444 801 F N 0.354 120.520 119.950 0.361 0.000 2.234 801 F HA -0.035 4.503 4.527 0.017 0.000 0.299 801 F C 1.914 177.724 175.800 0.015 0.000 1.087 801 F CA 1.533 59.501 58.000 -0.053 0.000 1.340 801 F CB 0.034 39.218 39.000 0.307 0.000 1.031 801 F HN -0.001 nan 8.300 nan 0.000 0.500 802 K N 0.374 120.749 120.400 -0.041 0.000 2.167 802 K HA -0.016 4.314 4.320 0.018 0.000 0.203 802 K C 2.313 178.834 176.600 -0.131 0.000 1.052 802 K CA 0.813 57.010 56.287 -0.151 0.000 0.956 802 K CB -0.427 32.072 32.500 -0.002 0.000 0.735 802 K HN 0.253 nan 8.250 nan 0.000 0.451 803 R N -0.608 119.888 120.500 -0.007 0.000 2.075 803 R HA -0.075 4.276 4.340 0.018 0.000 0.232 803 R C 2.168 178.469 176.300 0.003 0.000 1.126 803 R CA 1.170 57.286 56.100 0.027 0.000 0.963 803 R CB -0.344 30.030 30.300 0.123 0.000 0.858 803 R HN 0.104 nan 8.270 nan 0.000 0.435 804 F N 0.664 120.501 119.950 -0.188 0.000 2.069 804 F HA -0.127 4.410 4.527 0.018 0.000 0.298 804 F C 2.038 177.643 175.800 -0.324 0.000 1.113 804 F CA 1.908 59.746 58.000 -0.271 0.000 1.214 804 F CB -0.967 37.659 39.000 -0.623 0.000 0.978 804 F HN 0.029 nan 8.300 nan 0.000 0.474 805 G N -0.188 108.276 108.800 -0.561 0.000 2.422 805 G HA2 -0.352 3.618 3.960 0.018 0.000 0.218 805 G HA3 -0.352 3.618 3.960 0.018 0.000 0.218 805 G C 1.652 176.321 174.900 -0.385 0.000 1.146 805 G CA 0.861 45.603 45.100 -0.596 0.000 0.769 805 G HN 0.525 nan 8.290 nan 0.000 0.547 806 N N 0.062 118.605 118.700 -0.261 0.000 2.270 806 N HA -0.068 4.683 4.740 0.018 0.000 0.181 806 N C 2.115 177.529 175.510 -0.160 0.000 1.016 806 N CA 0.741 53.687 53.050 -0.173 0.000 0.870 806 N CB -0.177 38.245 38.487 -0.108 0.000 0.979 806 N HN 0.226 nan 8.380 nan 0.000 0.431 807 K N 0.502 120.803 120.400 -0.164 0.000 2.148 807 K HA -0.094 4.237 4.320 0.018 0.000 0.204 807 K C 1.895 178.390 176.600 -0.176 0.000 1.050 807 K CA 0.449 56.662 56.287 -0.123 0.000 0.942 807 K CB 0.082 32.549 32.500 -0.056 0.000 0.724 807 K HN 0.095 nan 8.250 nan 0.000 0.446 808 L N 0.959 121.997 121.223 -0.309 0.000 2.017 808 L HA -0.100 4.251 4.340 0.018 0.000 0.208 808 L C 2.396 179.140 176.870 -0.210 0.000 1.073 808 L CA 1.882 56.535 54.840 -0.312 0.000 0.745 808 L CB -1.121 40.649 42.059 -0.481 0.000 0.894 808 L HN 0.150 nan 8.230 nan 0.000 0.432 809 A N -1.615 121.083 122.820 -0.202 0.000 1.933 809 A HA -0.259 4.072 4.320 0.018 0.000 0.218 809 A C 2.277 179.794 177.584 -0.112 0.000 1.175 809 A CA 1.638 53.584 52.037 -0.152 0.000 0.628 809 A CB -0.485 18.430 19.000 -0.143 0.000 0.814 809 A HN 0.524 nan 8.150 nan 0.000 0.444 810 Q N -0.598 119.141 119.800 -0.103 0.000 2.020 810 Q HA -0.151 4.199 4.340 0.018 0.000 0.202 810 Q C 2.033 177.998 176.000 -0.059 0.000 0.982 810 Q CA 1.728 57.489 55.803 -0.069 0.000 0.838 810 Q CB -0.249 28.454 28.738 -0.058 0.000 0.899 810 Q HN 0.717 nan 8.270 nan 0.000 0.423 811 I N 0.642 121.173 120.570 -0.064 0.000 2.194 811 I HA -0.334 3.846 4.170 0.018 0.000 0.246 811 I C 2.445 178.534 176.117 -0.046 0.000 1.093 811 I CA 1.599 62.873 61.300 -0.042 0.000 1.355 811 I CB -0.273 37.702 38.000 -0.043 0.000 1.046 811 I HN 0.365 nan 8.210 nan 0.000 0.413 812 E N 1.239 121.394 120.200 -0.076 0.000 2.070 812 E HA -0.282 4.079 4.350 0.018 0.000 0.197 812 E C 1.812 178.378 176.600 -0.057 0.000 1.004 812 E CA 2.142 58.494 56.400 -0.079 0.000 0.805 812 E CB -0.136 29.497 29.700 -0.111 0.000 0.744 812 E HN 0.565 nan 8.360 nan 0.000 0.451 813 N N 0.002 118.670 118.700 -0.054 0.000 2.188 813 N HA -0.161 4.590 4.740 0.018 0.000 0.184 813 N C 1.811 177.307 175.510 -0.022 0.000 1.018 813 N CA 1.068 54.095 53.050 -0.039 0.000 0.858 813 N CB -0.104 38.359 38.487 -0.041 0.000 0.989 813 N HN 0.069 nan 8.380 nan 0.000 0.426 814 K N 0.651 121.040 120.400 -0.018 0.000 2.063 814 K HA -0.113 4.218 4.320 0.018 0.000 0.208 814 K C 1.530 178.137 176.600 0.011 0.000 1.048 814 K CA 0.976 57.263 56.287 -0.001 0.000 0.928 814 K CB 0.051 32.553 32.500 0.004 0.000 0.713 814 K HN 0.028 nan 8.250 nan 0.000 0.442 815 L N 0.590 121.818 121.223 0.008 0.000 2.156 815 L HA -0.043 4.307 4.340 0.018 0.000 0.208 815 L C 2.170 179.055 176.870 0.026 0.000 1.095 815 L CA 1.434 56.290 54.840 0.026 0.000 0.770 815 L CB -0.482 41.588 42.059 0.019 0.000 0.914 815 L HN 0.070 nan 8.230 nan 0.000 0.439 816 S N -0.944 114.758 115.700 0.004 0.000 2.402 816 S HA -0.140 4.341 4.470 0.018 0.000 0.229 816 S C 1.824 176.433 174.600 0.014 0.000 1.021 816 S CA 0.828 59.030 58.200 0.005 0.000 0.974 816 S CB -0.115 63.075 63.200 -0.015 0.000 0.800 816 S HN 0.467 nan 8.310 nan 0.000 0.484 817 E N 1.006 121.213 120.200 0.011 0.000 2.072 817 E HA -0.091 4.270 4.350 0.018 0.000 0.191 817 E C 2.349 178.963 176.600 0.025 0.000 0.985 817 E CA 0.634 57.042 56.400 0.013 0.000 0.801 817 E CB -0.085 29.620 29.700 0.008 0.000 0.750 817 E HN 0.340 nan 8.360 nan 0.000 0.452 818 R N 0.628 121.148 120.500 0.034 0.000 2.105 818 R HA -0.113 4.238 4.340 0.018 0.000 0.239 818 R C 1.774 178.109 176.300 0.057 0.000 1.135 818 R CA 1.414 57.542 56.100 0.047 0.000 0.967 818 R CB -0.216 30.120 30.300 0.060 0.000 0.861 818 R HN 0.202 nan 8.270 nan 0.000 0.442 819 N N -0.315 118.423 118.700 0.063 0.000 2.573 819 N HA -0.091 4.660 4.740 0.018 0.000 0.187 819 N C 0.732 176.275 175.510 0.055 0.000 1.107 819 N CA 0.543 53.638 53.050 0.074 0.000 0.918 819 N CB 0.032 38.565 38.487 0.076 0.000 0.966 819 N HN 0.309 nan 8.380 nan 0.000 0.448 820 N N -0.231 118.493 118.700 0.040 0.000 2.348 820 N HA -0.029 4.722 4.740 0.018 0.000 0.183 820 N C -0.504 175.022 175.510 0.027 0.000 1.094 820 N CA -0.154 52.914 53.050 0.030 0.000 0.885 820 N CB 0.520 39.019 38.487 0.020 0.000 1.065 820 N HN 0.061 nan 8.380 nan 0.000 0.472 821 D N 1.338 121.756 120.400 0.030 0.000 2.412 821 D HA -0.046 4.604 4.640 0.018 0.000 0.257 821 D C 0.385 176.701 176.300 0.027 0.000 1.217 821 D CA 0.264 54.279 54.000 0.026 0.000 0.897 821 D CB 0.843 41.660 40.800 0.027 0.000 1.132 821 D HN 0.209 nan 8.370 nan 0.000 0.493 822 E N 2.725 122.938 120.200 0.022 0.000 2.347 822 E HA -0.092 4.268 4.350 0.018 0.000 0.196 822 E C 1.064 177.675 176.600 0.019 0.000 1.008 822 E CA 0.829 57.241 56.400 0.021 0.000 0.852 822 E CB -0.101 29.608 29.700 0.016 0.000 0.783 822 E HN 0.459 nan 8.360 nan 0.000 0.505 823 K N 0.519 120.930 120.400 0.017 0.000 2.487 823 K HA 0.162 4.493 4.320 0.018 0.000 0.192 823 K C 0.019 176.628 176.600 0.015 0.000 1.027 823 K CA 0.242 56.538 56.287 0.014 0.000 1.054 823 K CB 0.222 32.729 32.500 0.011 0.000 0.824 823 K HN 0.136 nan 8.250 nan 0.000 0.510 824 L N 1.233 122.470 121.223 0.023 0.000 2.825 824 L HA 0.266 4.616 4.340 0.018 0.000 0.236 824 L C 1.302 178.191 176.870 0.032 0.000 1.301 824 L CA -0.475 54.381 54.840 0.026 0.000 0.977 824 L CB 0.381 42.462 42.059 0.037 0.000 1.300 824 L HN 0.021 nan 8.230 nan 0.000 0.486 825 R N 1.029 121.543 120.500 0.023 0.000 2.119 825 R HA -0.173 4.178 4.340 0.018 0.000 0.246 825 R C 1.373 177.694 176.300 0.034 0.000 1.146 825 R CA 1.460 57.576 56.100 0.027 0.000 0.962 825 R CB -0.017 30.293 30.300 0.016 0.000 0.863 825 R HN 0.565 nan 8.270 nan 0.000 0.442 826 N N 0.762 119.473 118.700 0.018 0.000 2.430 826 N HA -0.155 4.596 4.740 0.018 0.000 0.186 826 N C 1.454 176.992 175.510 0.047 0.000 1.032 826 N CA 0.882 53.938 53.050 0.011 0.000 0.893 826 N CB -0.238 38.231 38.487 -0.029 0.000 0.957 826 N HN 0.329 nan 8.380 nan 0.000 0.442 827 R N -0.997 119.548 120.500 0.075 0.000 2.275 827 R HA 0.160 4.511 4.340 0.018 0.000 0.199 827 R C 1.008 177.417 176.300 0.181 0.000 0.989 827 R CA 0.457 56.641 56.100 0.140 0.000 1.016 827 R CB 0.199 30.583 30.300 0.140 0.000 0.918 827 R HN 0.283 nan 8.270 nan 0.000 0.473 828 C N -1.688 117.689 119.300 0.128 0.000 3.264 828 C HA 0.353 4.823 4.460 0.018 0.000 0.555 828 C C 1.131 176.184 174.990 0.104 0.000 1.349 828 C CA 0.119 59.210 59.018 0.122 0.000 2.522 828 C CB 0.207 28.000 27.740 0.088 0.000 3.588 828 C HN 0.690 nan 8.230 nan 0.000 0.547 829 G N 2.448 111.295 108.800 0.079 0.000 2.806 829 G HA2 -0.190 3.780 3.960 0.018 0.000 0.236 829 G HA3 -0.190 3.780 3.960 0.018 0.000 0.236 829 G C -1.693 173.244 174.900 0.061 0.000 1.387 829 G CA 0.119 45.260 45.100 0.069 0.000 0.884 829 G HN 0.197 nan 8.290 nan 0.000 0.560 830 P HA -0.010 nan 4.420 nan 0.000 0.228 830 P C 1.641 178.972 177.300 0.051 0.000 1.151 830 P CA 1.331 64.459 63.100 0.046 0.000 0.770 830 P CB 0.064 31.788 31.700 0.041 0.000 0.786 831 V N -0.689 119.267 119.914 0.070 0.000 3.306 831 V HA 0.024 4.155 4.120 0.018 0.000 0.264 831 V C 0.968 177.081 176.094 0.032 0.000 1.149 831 V CA 0.779 63.118 62.300 0.064 0.000 1.143 831 V CB -1.326 30.557 31.823 0.100 0.000 0.767 831 V HN 0.144 nan 8.190 nan 0.000 0.476 832 Q N 0.084 119.907 119.800 0.039 0.000 2.460 832 Q HA -0.224 4.126 4.340 0.018 0.000 0.311 832 Q C 0.028 176.035 176.000 0.012 0.000 1.396 832 Q CA 0.750 56.570 55.803 0.028 0.000 0.838 832 Q CB -0.961 27.786 28.738 0.015 0.000 1.140 832 Q HN 0.609 nan 8.270 nan 0.000 0.415 833 M N 1.673 121.290 119.600 0.028 0.000 2.158 833 M HA 0.287 4.777 4.480 0.018 0.000 0.326 833 M C -2.285 174.090 176.300 0.125 0.000 1.014 833 M CA -1.912 53.379 55.300 -0.016 0.000 0.961 833 M CB 1.090 33.609 32.600 -0.135 0.000 1.327 833 M HN -0.098 nan 8.290 nan 0.000 0.393 834 P HA -0.127 nan 4.420 nan 0.000 0.265 834 P C -1.186 176.335 177.300 0.368 0.000 1.193 834 P CA 0.185 63.412 63.100 0.213 0.000 0.765 834 P CB 0.237 32.020 31.700 0.139 0.000 0.823 835 Y N 2.677 123.119 120.300 0.237 0.000 2.637 835 Y HA 0.163 4.724 4.550 0.018 0.000 0.350 835 Y C 1.403 177.358 175.900 0.093 0.000 1.069 835 Y CA 0.836 59.083 58.100 0.245 0.000 1.397 835 Y CB 0.277 38.855 38.460 0.197 0.000 1.163 835 Y HN 0.349 nan 8.280 nan 0.000 0.527 836 T N 5.893 120.234 114.554 -0.356 0.000 3.170 836 T HA 0.072 4.432 4.350 0.018 0.000 0.288 836 T C 1.225 175.543 174.700 -0.635 0.000 0.992 836 T CA -0.107 61.770 62.100 -0.372 0.000 0.909 836 T CB -0.201 68.594 68.868 -0.122 0.000 1.133 836 T HN 0.510 nan 8.240 nan 0.000 0.530 837 L N 1.121 121.688 121.223 -1.093 0.000 2.353 837 L HA 0.264 4.615 4.340 0.018 0.000 0.220 837 L C 1.432 178.044 176.870 -0.430 0.000 1.133 837 L CA 1.120 55.468 54.840 -0.819 0.000 0.798 837 L CB -0.474 41.083 42.059 -0.837 0.000 0.922 837 L HN 0.347 nan 8.230 nan 0.000 0.445 838 L N -1.015 119.977 121.223 -0.384 0.000 2.769 838 L HA 0.212 4.563 4.340 0.018 0.000 0.240 838 L C -0.003 176.797 176.870 -0.117 0.000 1.163 838 L CA -0.203 54.556 54.840 -0.135 0.000 0.962 838 L CB -0.332 41.742 42.059 0.026 0.000 1.258 838 L HN -0.019 nan 8.230 nan 0.000 0.513 839 L N 1.168 122.284 121.223 -0.179 0.000 2.361 839 L HA 0.227 4.578 4.340 0.018 0.000 0.278 839 L C -1.056 175.705 176.870 -0.183 0.000 1.113 839 L CA -1.108 53.636 54.840 -0.159 0.000 0.849 839 L CB 0.572 42.526 42.059 -0.176 0.000 1.155 839 L HN -0.045 nan 8.230 nan 0.000 0.452 840 P HA -0.113 nan 4.420 nan 0.000 0.216 840 P C 0.063 177.188 177.300 -0.292 0.000 1.157 840 P CA 1.160 64.156 63.100 -0.175 0.000 0.880 840 P CB 0.289 31.887 31.700 -0.170 0.000 0.791 841 S N -1.550 113.930 115.700 -0.366 0.000 2.687 841 S HA 0.553 5.033 4.470 0.018 0.000 0.283 841 S C -0.005 174.196 174.600 -0.665 0.000 1.170 841 S CA -0.310 57.537 58.200 -0.588 0.000 1.008 841 S CB 1.070 64.024 63.200 -0.411 0.000 1.026 841 S HN 0.066 nan 8.310 nan 0.000 0.541 842 S N -0.224 114.930 115.700 -0.910 0.000 2.587 842 S HA 0.351 4.832 4.470 0.018 0.000 0.269 842 S C -0.043 174.250 174.600 -0.512 0.000 1.154 842 S CA -0.724 57.077 58.200 -0.664 0.000 0.824 842 S CB 0.808 63.528 63.200 -0.800 0.000 1.118 842 S HN 0.761 nan 8.310 nan 0.000 0.462 843 K N 1.321 121.570 120.400 -0.250 0.000 2.276 843 K HA 0.431 4.762 4.320 0.018 0.000 0.198 843 K C 0.311 176.901 176.600 -0.017 0.000 1.052 843 K CA 0.278 56.494 56.287 -0.118 0.000 0.984 843 K CB 0.245 32.701 32.500 -0.073 0.000 0.836 843 K HN 0.739 nan 8.250 nan 0.000 0.490 844 E N -0.705 119.510 120.200 0.025 0.000 3.018 844 E HA 0.162 4.523 4.350 0.018 0.000 0.322 844 E C -0.588 176.098 176.600 0.144 0.000 1.219 844 E CA 0.106 56.580 56.400 0.123 0.000 1.212 844 E CB -0.064 29.688 29.700 0.086 0.000 1.066 844 E HN 0.387 nan 8.360 nan 0.000 0.432 845 G N 1.373 110.286 108.800 0.190 0.000 2.508 845 G HA2 -0.177 3.793 3.960 0.018 0.000 0.220 845 G HA3 -0.177 3.793 3.960 0.018 0.000 0.220 845 G C -0.744 174.255 174.900 0.164 0.000 1.287 845 G CA -0.314 44.870 45.100 0.138 0.000 0.916 845 G HN 0.748 nan 8.290 nan 0.000 0.574 846 L N 2.364 123.650 121.223 0.104 0.000 2.437 846 L HA 0.442 4.793 4.340 0.018 0.000 0.243 846 L C 1.035 177.998 176.870 0.154 0.000 1.346 846 L CA 0.506 55.411 54.840 0.109 0.000 1.233 846 L CB -0.541 41.533 42.059 0.025 0.000 1.436 846 L HN 0.600 nan 8.230 nan 0.000 0.416 847 T N 1.057 115.747 114.554 0.226 0.000 2.767 847 T HA 0.133 4.494 4.350 0.018 0.000 0.288 847 T C 0.383 175.232 174.700 0.249 0.000 0.963 847 T CA -0.273 61.950 62.100 0.205 0.000 1.019 847 T CB 0.721 69.684 68.868 0.158 0.000 0.923 847 T HN 0.151 nan 8.240 nan 0.000 0.468 848 F N 5.422 125.392 119.950 0.033 0.000 2.818 848 F HA 0.225 4.762 4.527 0.017 0.000 0.303 848 F C 0.950 176.732 175.800 -0.029 0.000 1.250 848 F CA -0.797 57.205 58.000 0.004 0.000 1.409 848 F CB -0.842 38.122 39.000 -0.061 0.000 1.183 848 F HN 0.556 nan 8.300 nan 0.000 0.534 849 R N -0.927 119.522 120.500 -0.085 0.000 2.752 849 R HA 0.666 5.017 4.340 0.018 0.000 0.277 849 R C -0.654 175.537 176.300 -0.182 0.000 1.024 849 R CA -0.754 55.216 56.100 -0.218 0.000 0.866 849 R CB 0.734 30.913 30.300 -0.202 0.000 1.278 849 R HN 0.359 nan 8.270 nan 0.000 0.473 850 G N 0.679 109.309 108.800 -0.283 0.000 3.225 850 G HA2 0.053 4.023 3.960 0.018 0.000 0.686 850 G HA3 0.053 4.023 3.960 0.018 0.000 0.686 850 G C -0.955 173.850 174.900 -0.158 0.000 1.105 850 G CA -0.516 44.370 45.100 -0.358 0.000 0.831 850 G HN 0.540 nan 8.290 nan 0.000 0.578 851 I N 4.136 124.695 120.570 -0.019 0.000 2.388 851 I HA 0.276 4.457 4.170 0.018 0.000 0.281 851 I C -2.070 174.156 176.117 0.183 0.000 1.046 851 I CA -2.210 59.131 61.300 0.068 0.000 1.187 851 I CB 1.949 39.968 38.000 0.031 0.000 1.351 851 I HN 0.186 nan 8.210 nan 0.000 0.472 852 P HA 0.107 nan 4.420 nan 0.000 0.270 852 P C 0.364 177.714 177.300 0.083 0.000 1.223 852 P CA -0.173 62.934 63.100 0.011 0.000 0.785 852 P CB 0.708 32.436 31.700 0.045 0.000 0.923 853 N N -0.561 118.161 118.700 0.036 0.000 2.244 853 N HA -0.062 4.689 4.740 0.018 0.000 0.183 853 N C 0.694 176.354 175.510 0.250 0.000 1.016 853 N CA 1.116 54.263 53.050 0.161 0.000 0.866 853 N CB -0.091 38.350 38.487 -0.076 0.000 0.980 853 N HN 0.555 nan 8.380 nan 0.000 0.430 854 S N -1.133 114.609 115.700 0.070 0.000 2.697 854 S HA 0.535 5.016 4.470 0.018 0.000 0.289 854 S C -0.439 174.142 174.600 -0.032 0.000 1.149 854 S CA -0.872 57.348 58.200 0.034 0.000 0.850 854 S CB 1.305 64.485 63.200 -0.033 0.000 1.151 854 S HN -0.006 nan 8.310 nan 0.000 0.491 855 I N 2.970 123.438 120.570 -0.169 0.000 2.329 855 I HA 0.170 4.350 4.170 0.018 0.000 0.295 855 I C 0.992 176.948 176.117 -0.269 0.000 1.109 855 I CA -0.094 60.909 61.300 -0.494 0.000 1.297 855 I CB 0.794 38.324 38.000 -0.784 0.000 1.433 855 I HN 0.828 nan 8.210 nan 0.000 0.509 856 S N 6.066 121.706 115.700 -0.100 0.000 2.559 856 S HA 0.458 4.938 4.470 0.018 0.000 0.226 856 S C 0.207 174.865 174.600 0.097 0.000 1.000 856 S CA -0.311 57.890 58.200 0.001 0.000 0.948 856 S CB 0.342 63.547 63.200 0.010 0.000 0.870 856 S HN 0.569 nan 8.310 nan 0.000 0.497 857 I N 0.000 120.668 120.570 0.163 0.000 2.984 857 I HA 0.000 4.181 4.170 0.018 0.000 0.288 857 I CA 0.000 61.447 61.300 0.246 0.000 1.566 857 I CB 0.000 38.097 38.000 0.162 0.000 1.214 857 I HN 0.000 nan 8.210 nan 0.000 0.494