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 3f3c_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPPXX TDPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHESAG T 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.106 176.300 -0.324 0.000 0.893 5 R CA 0.000 55.982 56.100 -0.196 0.000 0.921 5 R CB 0.000 30.146 30.300 -0.257 0.000 0.687 6 E N 1.264 121.293 120.200 -0.285 0.000 2.398 6 E HA 0.167 4.520 4.350 0.005 0.000 0.263 6 E C -0.807 175.475 176.600 -0.529 0.000 1.046 6 E CA 0.190 56.387 56.400 -0.339 0.000 0.908 6 E CB 0.690 30.139 29.700 -0.418 0.000 0.963 6 E HN 0.479 nan 8.360 nan 0.000 0.431 7 H N -1.646 117.312 119.070 -0.186 0.000 2.928 7 H HA 0.410 4.969 4.556 0.005 0.000 0.371 7 H C -0.857 174.328 175.328 -0.239 0.000 1.186 7 H CA -0.935 55.016 56.048 -0.160 0.000 1.134 7 H CB 0.890 30.643 29.762 -0.015 0.000 1.824 7 H HN 0.570 nan 8.280 nan 0.000 0.554 8 W N 1.147 122.519 121.300 0.120 0.000 2.251 8 W HA 0.313 4.976 4.660 0.005 0.000 0.327 8 W C 1.071 177.616 176.519 0.044 0.000 1.361 8 W CA -0.024 57.337 57.345 0.027 0.000 1.234 8 W CB 0.498 29.976 29.460 0.029 0.000 1.212 8 W HN 0.786 nan 8.180 nan 0.000 0.557 9 A N 2.476 125.434 122.820 0.229 0.000 1.873 9 A HA -0.022 4.300 4.320 0.005 0.000 0.215 9 A C 1.121 178.783 177.584 0.130 0.000 1.186 9 A CA 1.770 53.888 52.037 0.135 0.000 0.616 9 A CB -0.751 18.299 19.000 0.083 0.000 0.823 9 A HN 0.560 nan 8.150 nan 0.000 0.442 10 T N -5.050 109.589 114.554 0.142 0.000 2.916 10 T HA 0.543 4.896 4.350 0.005 0.000 0.292 10 T C 0.474 175.233 174.700 0.097 0.000 1.064 10 T CA -0.385 61.775 62.100 0.099 0.000 1.011 10 T CB 1.974 70.883 68.868 0.067 0.000 1.152 10 T HN 0.230 nan 8.240 nan 0.000 0.510 11 R N -0.329 120.213 120.500 0.070 0.000 2.092 11 R HA 0.024 4.367 4.340 0.005 0.000 0.231 11 R C 2.146 178.463 176.300 0.027 0.000 1.119 11 R CA 1.122 57.255 56.100 0.055 0.000 0.970 11 R CB -0.501 29.829 30.300 0.050 0.000 0.864 11 R HN 0.644 nan 8.270 nan 0.000 0.440 12 L N 0.102 121.341 121.223 0.027 0.000 2.017 12 L HA 0.018 4.361 4.340 0.005 0.000 0.208 12 L C 2.150 179.017 176.870 -0.005 0.000 1.073 12 L CA 2.371 57.221 54.840 0.017 0.000 0.745 12 L CB -1.015 41.058 42.059 0.024 0.000 0.894 12 L HN 0.243 nan 8.230 nan 0.000 0.432 13 G N -0.233 108.571 108.800 0.006 0.000 2.442 13 G HA2 -0.310 3.652 3.960 0.005 0.000 0.219 13 G HA3 -0.310 3.652 3.960 0.005 0.000 0.219 13 G C 1.577 176.393 174.900 -0.141 0.000 1.141 13 G CA 1.082 46.178 45.100 -0.006 0.000 0.763 13 G HN 0.442 nan 8.290 nan 0.000 0.554 14 L N 0.819 121.924 121.223 -0.196 0.000 1.994 14 L HA -0.023 4.320 4.340 0.005 0.000 0.208 14 L C 2.589 179.251 176.870 -0.346 0.000 1.071 14 L CA 1.458 55.973 54.840 -0.543 0.000 0.745 14 L CB -0.438 41.435 42.059 -0.310 0.000 0.892 14 L HN 0.131 nan 8.230 nan 0.000 0.431 15 I N -0.451 120.059 120.570 -0.100 0.000 2.179 15 I HA -0.290 3.882 4.170 0.005 0.000 0.242 15 I C 2.615 178.729 176.117 -0.006 0.000 1.088 15 I CA 1.488 62.792 61.300 0.006 0.000 1.357 15 I CB -1.166 36.853 38.000 0.032 0.000 1.051 15 I HN 0.330 nan 8.210 nan 0.000 0.409 16 L N 0.545 121.749 121.223 -0.032 0.000 2.141 16 L HA -0.138 4.205 4.340 0.005 0.000 0.209 16 L C 2.797 179.635 176.870 -0.055 0.000 1.094 16 L CA 1.113 55.940 54.840 -0.022 0.000 0.763 16 L CB -0.676 41.364 42.059 -0.032 0.000 0.908 16 L HN 0.186 nan 8.230 nan 0.000 0.437 17 A N -0.327 122.415 122.820 -0.129 0.000 1.898 17 A HA -0.168 4.155 4.320 0.005 0.000 0.216 17 A C 2.311 179.918 177.584 0.039 0.000 1.181 17 A CA 1.266 53.242 52.037 -0.102 0.000 0.620 17 A CB -0.288 18.462 19.000 -0.418 0.000 0.819 17 A HN 0.245 nan 8.150 nan 0.000 0.442 18 M N -0.594 118.982 119.600 -0.041 0.000 2.254 18 M HA -0.039 4.443 4.480 0.005 0.000 0.265 18 M C 2.447 178.788 176.300 0.068 0.000 1.066 18 M CA 1.360 56.697 55.300 0.063 0.000 1.123 18 M CB -1.079 31.598 32.600 0.129 0.000 1.388 18 M HN 0.504 nan 8.290 nan 0.000 0.425 19 A N 0.186 123.046 122.820 0.066 0.000 1.930 19 A HA 0.037 4.360 4.320 0.005 0.000 0.217 19 A C 2.362 179.971 177.584 0.041 0.000 1.175 19 A CA 1.774 53.861 52.037 0.084 0.000 0.627 19 A CB -1.253 17.828 19.000 0.135 0.000 0.815 19 A HN 0.495 nan 8.150 nan 0.000 0.443 20 G N 0.126 108.929 108.800 0.005 0.000 2.408 20 G HA2 -0.276 3.687 3.960 0.005 0.000 0.217 20 G HA3 -0.276 3.687 3.960 0.005 0.000 0.217 20 G C 1.544 176.422 174.900 -0.036 0.000 1.150 20 G CA 1.113 46.197 45.100 -0.026 0.000 0.776 20 G HN 0.539 nan 8.290 nan 0.000 0.542 21 N N 1.706 120.376 118.700 -0.051 0.000 2.025 21 N HA -0.125 4.618 4.740 0.005 0.000 0.194 21 N C 2.447 177.843 175.510 -0.191 0.000 1.044 21 N CA 1.993 54.920 53.050 -0.205 0.000 0.851 21 N CB -0.559 37.709 38.487 -0.364 0.000 1.036 21 N HN 0.239 nan 8.380 nan 0.000 0.422 22 A N 1.032 123.790 122.820 -0.103 0.000 1.872 22 A HA 0.087 4.410 4.320 0.005 0.000 0.214 22 A C 1.024 178.600 177.584 -0.013 0.000 1.187 22 A CA 0.562 52.558 52.037 -0.068 0.000 0.614 22 A CB -0.684 18.315 19.000 -0.002 0.000 0.826 22 A HN 0.107 nan 8.150 nan 0.000 0.442 23 V N 0.827 120.762 119.914 0.034 0.000 2.421 23 V HA 0.482 4.605 4.120 0.005 0.000 0.271 23 V C 0.826 176.992 176.094 0.121 0.000 1.031 23 V CA 0.512 62.868 62.300 0.092 0.000 1.032 23 V CB -0.218 31.697 31.823 0.153 0.000 1.009 23 V HN 0.656 nan 8.190 nan 0.000 0.477 24 G N 3.044 111.950 108.800 0.177 0.000 2.871 24 G HA2 0.405 4.368 3.960 0.005 0.000 0.282 24 G HA3 0.405 4.368 3.960 0.005 0.000 0.282 24 G C 0.300 175.402 174.900 0.337 0.000 1.212 24 G CA -0.797 44.453 45.100 0.250 0.000 0.812 24 G HN 0.446 nan 8.290 nan 0.000 0.547 25 L N 0.927 122.349 121.223 0.331 0.000 2.187 25 L HA -0.005 4.338 4.340 0.005 0.000 0.213 25 L C 2.937 180.003 176.870 0.328 0.000 1.100 25 L CA 1.426 56.422 54.840 0.259 0.000 0.765 25 L CB -0.536 41.560 42.059 0.062 0.000 0.904 25 L HN 0.638 nan 8.230 nan 0.000 0.437 26 G N 0.171 109.243 108.800 0.452 0.000 2.432 26 G HA2 -0.243 3.720 3.960 0.005 0.000 0.219 26 G HA3 -0.243 3.720 3.960 0.005 0.000 0.219 26 G C 1.299 176.351 174.900 0.254 0.000 1.135 26 G CA 0.854 46.218 45.100 0.440 0.000 0.767 26 G HN 0.406 nan 8.290 nan 0.000 0.550 27 N N 0.099 118.866 118.700 0.112 0.000 2.171 27 N HA 0.026 4.769 4.740 0.005 0.000 0.184 27 N C 1.506 176.855 175.510 -0.269 0.000 1.021 27 N CA 0.997 53.922 53.050 -0.208 0.000 0.854 27 N CB -0.249 37.904 38.487 -0.556 0.000 0.994 27 N HN 0.399 nan 8.380 nan 0.000 0.426 28 F N -0.552 119.500 119.950 0.171 0.000 2.622 28 F HA 0.351 4.881 4.527 0.004 0.000 0.288 28 F C 1.687 177.636 175.800 0.249 0.000 1.120 28 F CA 0.147 58.271 58.000 0.207 0.000 1.423 28 F CB 0.094 39.125 39.000 0.051 0.000 1.127 28 F HN -0.080 nan 8.300 nan 0.000 0.588 29 L N -1.035 120.379 121.223 0.318 0.000 2.347 29 L HA 0.155 4.498 4.340 0.005 0.000 0.196 29 L C 2.491 179.436 176.870 0.125 0.000 1.072 29 L CA 0.486 55.471 54.840 0.241 0.000 0.817 29 L CB -0.315 41.884 42.059 0.233 0.000 1.029 29 L HN -0.098 nan 8.230 nan 0.000 0.478 30 R N -0.076 120.482 120.500 0.097 0.000 2.055 30 R HA -0.142 4.201 4.340 0.005 0.000 0.226 30 R C 2.406 178.704 176.300 -0.003 0.000 1.135 30 R CA 1.407 57.501 56.100 -0.010 0.000 0.959 30 R CB -0.291 29.961 30.300 -0.079 0.000 0.854 30 R HN 0.116 nan 8.270 nan 0.000 0.431 31 F N 2.274 122.196 119.950 -0.048 0.000 2.065 31 F HA -0.123 4.407 4.527 0.004 0.000 0.298 31 F C -1.192 174.485 175.800 -0.205 0.000 1.112 31 F CA 1.491 59.427 58.000 -0.107 0.000 1.212 31 F CB -0.997 37.952 39.000 -0.085 0.000 0.975 31 F HN 0.069 nan 8.300 nan 0.000 0.476 32 P HA -0.147 nan 4.420 nan 0.000 0.217 32 P C 2.115 179.196 177.300 -0.365 0.000 1.150 32 P CA 1.810 64.721 63.100 -0.315 0.000 0.832 32 P CB -0.103 31.576 31.700 -0.036 0.000 0.787 33 V N -0.007 119.752 119.914 -0.259 0.000 2.295 33 V HA -0.260 3.863 4.120 0.005 0.000 0.246 33 V C 2.602 178.468 176.094 -0.380 0.000 1.049 33 V CA 1.765 63.914 62.300 -0.253 0.000 1.024 33 V CB -1.198 30.515 31.823 -0.184 0.000 0.648 33 V HN 0.127 nan 8.190 nan 0.000 0.447 34 Q N 0.024 119.531 119.800 -0.487 0.000 2.050 34 Q HA -0.168 4.175 4.340 0.005 0.000 0.202 34 Q C 2.449 177.729 176.000 -1.199 0.000 0.980 34 Q CA 2.075 57.467 55.803 -0.684 0.000 0.840 34 Q CB -0.795 27.601 28.738 -0.571 0.000 0.898 34 Q HN 0.648 nan 8.270 nan 0.000 0.424 35 A N 1.081 123.027 122.820 -1.456 0.000 1.902 35 A HA -0.054 4.269 4.320 0.005 0.000 0.217 35 A C 2.344 179.506 177.584 -0.703 0.000 1.181 35 A CA 1.919 53.107 52.037 -1.415 0.000 0.623 35 A CB -0.662 17.528 19.000 -1.350 0.000 0.818 35 A HN 0.368 nan 8.150 nan 0.000 0.443 36 A N -0.246 122.304 122.820 -0.451 0.000 1.898 36 A HA -0.149 4.174 4.320 0.005 0.000 0.216 36 A C 1.902 179.433 177.584 -0.089 0.000 1.181 36 A CA 1.576 53.558 52.037 -0.093 0.000 0.620 36 A CB -0.502 18.454 19.000 -0.074 0.000 0.819 36 A HN 0.625 nan 8.150 nan 0.000 0.442 37 E N 0.078 120.151 120.200 -0.212 0.000 2.150 37 E HA -0.098 4.254 4.350 0.005 0.000 0.193 37 E C 0.279 176.801 176.600 -0.131 0.000 0.985 37 E CA 0.831 57.137 56.400 -0.157 0.000 0.814 37 E CB -0.081 29.510 29.700 -0.180 0.000 0.752 37 E HN 0.532 nan 8.360 nan 0.000 0.466 38 N N -0.151 118.428 118.700 -0.200 0.000 2.453 38 N HA 0.084 4.827 4.740 0.005 0.000 0.270 38 N C 0.244 175.701 175.510 -0.089 0.000 1.195 38 N CA 0.547 53.532 53.050 -0.108 0.000 0.902 38 N CB 1.447 39.922 38.487 -0.020 0.000 1.186 38 N HN 0.189 nan 8.380 nan 0.000 0.510 39 G N 0.394 109.154 108.800 -0.067 0.000 2.147 39 G HA2 -0.281 3.682 3.960 0.005 0.000 0.244 39 G HA3 -0.281 3.682 3.960 0.005 0.000 0.244 39 G C 0.963 175.654 174.900 -0.348 0.000 1.005 39 G CA 0.522 45.588 45.100 -0.056 0.000 0.713 39 G HN 0.691 nan 8.290 nan 0.000 0.515 40 G N -0.325 108.112 108.800 -0.605 0.000 3.099 40 G HA2 -0.073 3.890 3.960 0.005 0.000 0.331 40 G HA3 -0.073 3.890 3.960 0.005 0.000 0.331 40 G C 2.095 176.584 174.900 -0.685 0.000 1.216 40 G CA 1.926 46.353 45.100 -1.122 0.000 0.977 40 G HN 1.948 nan 8.290 nan 0.000 0.600 41 G N 0.651 109.071 108.800 -0.633 0.000 2.471 41 G HA2 0.300 4.263 3.960 0.005 0.000 0.219 41 G HA3 0.300 4.263 3.960 0.005 0.000 0.219 41 G C 1.994 176.700 174.900 -0.324 0.000 1.125 41 G CA 2.431 47.286 45.100 -0.409 0.000 0.775 41 G HN 1.746 nan 8.290 nan 0.000 0.548 42 A N 0.215 122.860 122.820 -0.291 0.000 2.015 42 A HA 0.141 4.464 4.320 0.005 0.000 0.219 42 A C 2.006 179.453 177.584 -0.228 0.000 1.163 42 A CA 1.162 53.053 52.037 -0.243 0.000 0.646 42 A CB -0.387 18.513 19.000 -0.166 0.000 0.806 42 A HN 0.418 nan 8.150 nan 0.000 0.448 43 F N -0.483 119.248 119.950 -0.366 0.000 2.416 43 F HA 0.013 4.542 4.527 0.004 0.000 0.296 43 F C 1.984 177.612 175.800 -0.287 0.000 1.099 43 F CA 1.053 58.849 58.000 -0.341 0.000 1.427 43 F CB 0.006 38.779 39.000 -0.378 0.000 1.079 43 F HN 0.059 nan 8.300 nan 0.000 0.536 44 M N -0.041 119.392 119.600 -0.278 0.000 2.254 44 M HA -0.071 4.412 4.480 0.005 0.000 0.265 44 M C 2.248 178.450 176.300 -0.163 0.000 1.066 44 M CA 1.191 56.347 55.300 -0.240 0.000 1.123 44 M CB -1.044 31.394 32.600 -0.270 0.000 1.388 44 M HN 0.216 nan 8.290 nan 0.000 0.425 45 I N 0.278 120.707 120.570 -0.235 0.000 2.163 45 I HA -0.193 3.980 4.170 0.005 0.000 0.240 45 I C -0.493 175.477 176.117 -0.246 0.000 1.081 45 I CA 1.397 62.591 61.300 -0.176 0.000 1.353 45 I CB -1.899 35.989 38.000 -0.187 0.000 1.054 45 I HN 0.135 nan 8.210 nan 0.000 0.407 46 P HA -0.223 nan 4.420 nan 0.000 0.216 46 P C 1.611 178.707 177.300 -0.340 0.000 1.150 46 P CA 1.504 64.099 63.100 -0.841 0.000 0.837 46 P CB -0.164 30.706 31.700 -1.384 0.000 0.786 47 Y N 0.236 120.217 120.300 -0.530 0.000 2.145 47 Y HA -0.198 4.355 4.550 0.005 0.000 0.286 47 Y C 2.113 177.961 175.900 -0.086 0.000 1.145 47 Y CA 1.534 59.412 58.100 -0.369 0.000 1.148 47 Y CB -0.858 37.299 38.460 -0.505 0.000 0.981 47 Y HN -0.188 nan 8.280 nan 0.000 0.507 48 I N -0.230 120.388 120.570 0.080 0.000 2.179 48 I HA -0.324 3.849 4.170 0.005 0.000 0.242 48 I C 2.280 178.455 176.117 0.097 0.000 1.088 48 I CA 1.517 62.886 61.300 0.115 0.000 1.357 48 I CB -0.376 37.716 38.000 0.154 0.000 1.051 48 I HN 0.246 nan 8.210 nan 0.000 0.409 49 I N 0.732 121.351 120.570 0.082 0.000 2.286 49 I HA -0.284 3.889 4.170 0.005 0.000 0.248 49 I C 2.744 178.876 176.117 0.024 0.000 1.115 49 I CA 1.272 62.640 61.300 0.114 0.000 1.392 49 I CB -0.414 37.748 38.000 0.271 0.000 1.065 49 I HN 0.193 nan 8.210 nan 0.000 0.418 50 A N 0.523 123.359 122.820 0.027 0.000 1.930 50 A HA -0.243 4.080 4.320 0.005 0.000 0.217 50 A C 2.196 179.697 177.584 -0.138 0.000 1.175 50 A CA 1.222 53.225 52.037 -0.056 0.000 0.627 50 A CB -0.865 18.167 19.000 0.054 0.000 0.815 50 A HN 0.450 nan 8.150 nan 0.000 0.443 51 F N 0.618 120.396 119.950 -0.285 0.000 2.134 51 F HA -0.129 4.401 4.527 0.005 0.000 0.299 51 F C 1.804 177.485 175.800 -0.198 0.000 1.097 51 F CA 1.723 59.550 58.000 -0.288 0.000 1.264 51 F CB -0.249 38.573 39.000 -0.297 0.000 1.001 51 F HN 0.141 nan 8.300 nan 0.000 0.479 52 L N -0.584 120.523 121.223 -0.195 0.000 2.095 52 L HA -0.123 4.220 4.340 0.005 0.000 0.204 52 L C 2.214 179.016 176.870 -0.112 0.000 1.080 52 L CA 0.868 55.603 54.840 -0.174 0.000 0.759 52 L CB -0.522 41.541 42.059 0.007 0.000 0.914 52 L HN 0.154 nan 8.230 nan 0.000 0.439 53 L N -1.641 119.462 121.223 -0.200 0.000 2.477 53 L HA 0.026 4.369 4.340 0.005 0.000 0.220 53 L C 1.651 178.333 176.870 -0.313 0.000 1.106 53 L CA 0.062 54.750 54.840 -0.254 0.000 0.851 53 L CB 0.361 42.145 42.059 -0.459 0.000 0.994 53 L HN 0.058 nan 8.230 nan 0.000 0.462 54 V N -1.630 118.075 119.914 -0.347 0.000 3.102 54 V HA 0.196 4.319 4.120 0.005 0.000 0.225 54 V C 2.269 178.128 176.094 -0.391 0.000 1.301 54 V CA 0.914 63.024 62.300 -0.318 0.000 1.308 54 V CB -0.171 31.506 31.823 -0.243 0.000 1.129 54 V HN 0.286 nan 8.190 nan 0.000 0.502 55 G N 1.291 109.838 108.800 -0.423 0.000 2.514 55 G HA2 -0.210 3.753 3.960 0.005 0.000 0.217 55 G HA3 -0.210 3.753 3.960 0.005 0.000 0.217 55 G C 1.455 175.999 174.900 -0.593 0.000 1.198 55 G CA 1.418 46.247 45.100 -0.451 0.000 0.780 55 G HN 0.298 nan 8.290 nan 0.000 0.565 56 I N 2.391 122.436 120.570 -0.876 0.000 2.113 56 I HA -0.095 4.078 4.170 0.005 0.000 0.238 56 I C 0.282 175.836 176.117 -0.939 0.000 1.070 56 I CA 1.406 62.056 61.300 -1.082 0.000 1.332 56 I CB -2.041 35.221 38.000 -1.230 0.000 1.044 56 I HN 0.179 nan 8.210 nan 0.000 0.402 57 P HA -0.156 nan 4.420 nan 0.000 0.215 57 P C 2.314 179.526 177.300 -0.147 0.000 1.157 57 P CA 1.528 64.474 63.100 -0.257 0.000 0.868 57 P CB -0.076 31.557 31.700 -0.113 0.000 0.788 58 L N -1.290 119.807 121.223 -0.209 0.000 2.131 58 L HA -0.129 4.214 4.340 0.005 0.000 0.210 58 L C 2.846 179.669 176.870 -0.078 0.000 1.092 58 L CA 1.246 56.007 54.840 -0.132 0.000 0.759 58 L CB -0.730 41.208 42.059 -0.202 0.000 0.903 58 L HN 0.015 nan 8.230 nan 0.000 0.435 59 M N -0.573 118.919 119.600 -0.180 0.000 2.067 59 M HA -0.266 4.216 4.480 0.005 0.000 0.260 59 M C 2.214 178.570 176.300 0.093 0.000 1.069 59 M CA 2.103 57.358 55.300 -0.075 0.000 1.117 59 M CB -0.696 31.732 32.600 -0.287 0.000 1.334 59 M HN 0.278 nan 8.290 nan 0.000 0.407 60 W N 0.982 122.234 121.300 -0.079 0.000 2.358 60 W HA -0.143 4.520 4.660 0.005 0.000 0.303 60 W C 2.452 179.012 176.519 0.068 0.000 1.208 60 W CA 0.935 58.239 57.345 -0.069 0.000 1.274 60 W CB -1.242 28.130 29.460 -0.147 0.000 1.138 60 W HN 0.299 nan 8.180 nan 0.000 0.515 61 I N 0.254 120.996 120.570 0.287 0.000 2.208 61 I HA -0.302 3.871 4.170 0.005 0.000 0.245 61 I C 2.266 178.374 176.117 -0.014 0.000 1.097 61 I CA 1.548 62.958 61.300 0.183 0.000 1.363 61 I CB -0.476 37.633 38.000 0.181 0.000 1.051 61 I HN -0.025 nan 8.210 nan 0.000 0.413 62 E N -0.333 119.914 120.200 0.077 0.000 2.107 62 E HA -0.219 4.133 4.350 0.005 0.000 0.191 62 E C 2.047 178.708 176.600 0.101 0.000 0.982 62 E CA 1.186 57.616 56.400 0.050 0.000 0.809 62 E CB -0.145 29.603 29.700 0.080 0.000 0.756 62 E HN 0.493 nan 8.360 nan 0.000 0.459 63 W N 1.211 122.522 121.300 0.018 0.000 2.358 63 W HA -0.149 4.514 4.660 0.005 0.000 0.303 63 W C 2.597 179.139 176.519 0.038 0.000 1.208 63 W CA 1.454 58.835 57.345 0.060 0.000 1.274 63 W CB -0.593 28.931 29.460 0.107 0.000 1.138 63 W HN 0.072 nan 8.180 nan 0.000 0.515 64 A N -0.349 122.616 122.820 0.242 0.000 1.877 64 A HA -0.218 4.105 4.320 0.005 0.000 0.216 64 A C 1.961 179.526 177.584 -0.033 0.000 1.186 64 A CA 2.054 54.166 52.037 0.124 0.000 0.620 64 A CB -0.884 18.207 19.000 0.151 0.000 0.822 64 A HN 0.254 nan 8.150 nan 0.000 0.443 65 M N -0.565 118.854 119.600 -0.302 0.000 2.117 65 M HA -0.106 4.376 4.480 0.005 0.000 0.262 65 M C 2.313 178.603 176.300 -0.016 0.000 1.065 65 M CA 1.489 56.605 55.300 -0.307 0.000 1.114 65 M CB -0.643 31.718 32.600 -0.397 0.000 1.361 65 M HN 0.513 nan 8.290 nan 0.000 0.408 66 G N -0.018 108.779 108.800 -0.005 0.000 2.404 66 G HA2 -0.216 3.746 3.960 0.005 0.000 0.215 66 G HA3 -0.216 3.746 3.960 0.005 0.000 0.215 66 G C 1.587 176.508 174.900 0.036 0.000 1.174 66 G CA 0.776 45.879 45.100 0.004 0.000 0.780 66 G HN 0.374 nan 8.290 nan 0.000 0.537 67 R N -0.875 119.682 120.500 0.096 0.000 2.083 67 R HA -0.168 4.175 4.340 0.005 0.000 0.237 67 R C 2.258 178.636 176.300 0.130 0.000 1.137 67 R CA 1.669 57.847 56.100 0.130 0.000 0.951 67 R CB -0.630 29.787 30.300 0.195 0.000 0.851 67 R HN 0.419 nan 8.270 nan 0.000 0.434 68 Y N 0.334 120.659 120.300 0.042 0.000 2.081 68 Y HA -0.220 4.333 4.550 0.005 0.000 0.280 68 Y C 2.155 178.076 175.900 0.034 0.000 1.163 68 Y CA 2.235 60.361 58.100 0.044 0.000 1.135 68 Y CB -0.848 37.627 38.460 0.024 0.000 0.970 68 Y HN 0.203 nan 8.280 nan 0.000 0.498 69 G N -0.959 107.918 108.800 0.128 0.000 2.408 69 G HA2 -0.206 3.756 3.960 0.005 0.000 0.217 69 G HA3 -0.206 3.756 3.960 0.005 0.000 0.217 69 G C 1.876 176.765 174.900 -0.019 0.000 1.150 69 G CA 0.687 45.824 45.100 0.062 0.000 0.776 69 G HN 0.648 nan 8.290 nan 0.000 0.542 70 G N 1.168 109.932 108.800 -0.060 0.000 2.442 70 G HA2 0.017 3.980 3.960 0.005 0.000 0.219 70 G HA3 0.017 3.980 3.960 0.005 0.000 0.219 70 G C 2.016 176.859 174.900 -0.095 0.000 1.141 70 G CA 1.448 46.467 45.100 -0.134 0.000 0.763 70 G HN 0.642 nan 8.290 nan 0.000 0.554 71 A N 0.133 122.915 122.820 -0.063 0.000 2.024 71 A HA -0.060 4.263 4.320 0.005 0.000 0.220 71 A C 2.175 179.708 177.584 -0.084 0.000 1.164 71 A CA 1.662 53.666 52.037 -0.054 0.000 0.643 71 A CB -0.199 18.757 19.000 -0.073 0.000 0.806 71 A HN 0.500 nan 8.150 nan 0.000 0.451 72 Q N -1.785 117.952 119.800 -0.105 0.000 2.247 72 Q HA 0.326 4.669 4.340 0.005 0.000 0.204 72 Q C 0.772 176.685 176.000 -0.144 0.000 0.872 72 Q CA 0.238 56.003 55.803 -0.063 0.000 0.951 72 Q CB 0.470 29.211 28.738 0.004 0.000 1.099 72 Q HN 0.836 nan 8.270 nan 0.000 0.501 73 G N 1.692 110.357 108.800 -0.225 0.000 2.149 73 G HA2 -0.196 3.767 3.960 0.005 0.000 0.235 73 G HA3 -0.196 3.767 3.960 0.005 0.000 0.235 73 G C -0.428 174.081 174.900 -0.651 0.000 1.018 73 G CA -0.299 44.560 45.100 -0.402 0.000 0.728 73 G HN 0.424 nan 8.290 nan 0.000 0.508 74 H N -1.109 117.897 119.070 -0.108 0.000 2.689 74 H HA 0.548 5.106 4.556 0.005 0.000 0.346 74 H C 0.889 176.148 175.328 -0.115 0.000 1.037 74 H CA -0.051 55.946 56.048 -0.085 0.000 1.234 74 H CB 1.645 31.391 29.762 -0.027 0.000 1.572 74 H HN 0.269 nan 8.280 nan 0.000 0.524 75 G N 1.959 110.740 108.800 -0.032 0.000 3.062 75 G HA2 0.009 3.972 3.960 0.005 0.000 0.228 75 G HA3 0.009 3.972 3.960 0.005 0.000 0.228 75 G C 0.489 175.382 174.900 -0.011 0.000 1.094 75 G CA 0.208 45.239 45.100 -0.114 0.000 0.782 75 G HN 0.579 nan 8.290 nan 0.000 0.541 76 T N -3.030 111.557 114.554 0.055 0.000 2.942 76 T HA 0.455 4.807 4.350 0.005 0.000 0.289 76 T C 1.499 176.201 174.700 0.002 0.000 1.044 76 T CA 0.418 62.547 62.100 0.047 0.000 1.023 76 T CB 1.517 70.443 68.868 0.097 0.000 1.123 76 T HN 0.013 nan 8.240 nan 0.000 0.512 77 T N -2.389 112.103 114.554 -0.103 0.000 2.951 77 T HA 0.097 4.450 4.350 0.005 0.000 0.268 77 T C -1.076 173.437 174.700 -0.312 0.000 1.073 77 T CA 0.501 62.395 62.100 -0.344 0.000 1.134 77 T CB -1.659 66.824 68.868 -0.642 0.000 0.884 77 T HN 0.419 nan 8.240 nan 0.000 0.479 78 P HA 0.008 nan 4.420 nan 0.000 0.215 78 P C 1.759 179.064 177.300 0.008 0.000 1.157 78 P CA 1.673 64.726 63.100 -0.078 0.000 0.874 78 P CB -0.327 31.329 31.700 -0.074 0.000 0.790 79 A N -1.199 121.624 122.820 0.004 0.000 1.903 79 A HA -0.058 4.265 4.320 0.005 0.000 0.213 79 A C 2.214 179.822 177.584 0.040 0.000 1.185 79 A CA 0.965 52.964 52.037 -0.063 0.000 0.628 79 A CB -1.409 17.418 19.000 -0.289 0.000 0.830 79 A HN 0.071 nan 8.150 nan 0.000 0.446 80 I N -1.304 119.322 120.570 0.094 0.000 2.252 80 I HA -0.207 3.966 4.170 0.005 0.000 0.245 80 I C 2.131 178.459 176.117 0.351 0.000 1.102 80 I CA 1.079 62.497 61.300 0.197 0.000 1.385 80 I CB -0.375 37.729 38.000 0.174 0.000 1.064 80 I HN 0.222 nan 8.210 nan 0.000 0.414 81 F N 0.189 120.209 119.950 0.116 0.000 2.161 81 F HA -0.263 4.267 4.527 0.004 0.000 0.300 81 F C 2.467 178.391 175.800 0.206 0.000 1.089 81 F CA 1.186 59.277 58.000 0.152 0.000 1.282 81 F CB -1.270 37.827 39.000 0.161 0.000 1.010 81 F HN 0.104 nan 8.300 nan 0.000 0.485 82 Y N 0.065 120.503 120.300 0.230 0.000 2.373 82 Y HA -0.078 4.475 4.550 0.005 0.000 0.293 82 Y C 2.073 178.049 175.900 0.126 0.000 1.129 82 Y CA 1.095 59.258 58.100 0.106 0.000 1.226 82 Y CB -0.363 38.107 38.460 0.016 0.000 1.000 82 Y HN -0.027 nan 8.280 nan 0.000 0.549 83 L N -0.814 120.511 121.223 0.169 0.000 2.156 83 L HA -0.174 4.169 4.340 0.005 0.000 0.208 83 L C 1.912 178.885 176.870 0.172 0.000 1.095 83 L CA 0.911 55.844 54.840 0.155 0.000 0.770 83 L CB -0.335 41.886 42.059 0.270 0.000 0.914 83 L HN 0.250 nan 8.230 nan 0.000 0.439 84 L N -2.366 118.937 121.223 0.134 0.000 2.375 84 L HA 0.002 4.345 4.340 0.005 0.000 0.215 84 L C 0.224 177.296 176.870 0.336 0.000 1.108 84 L CA 0.078 54.968 54.840 0.083 0.000 0.830 84 L CB 0.112 42.110 42.059 -0.102 0.000 0.959 84 L HN 0.273 nan 8.230 nan 0.000 0.457 85 W N 1.031 122.352 121.300 0.034 0.000 2.740 85 W HA 0.322 4.985 4.660 0.005 0.000 0.316 85 W C -0.460 176.011 176.519 -0.080 0.000 1.020 85 W CA -1.328 56.031 57.345 0.023 0.000 1.278 85 W CB 0.735 30.223 29.460 0.047 0.000 1.224 85 W HN -0.233 nan 8.180 nan 0.000 0.393 86 R N 4.865 125.295 120.500 -0.117 0.000 4.154 86 R HA 0.118 4.461 4.340 0.005 0.000 0.186 86 R C -0.281 175.809 176.300 -0.350 0.000 1.750 86 R CA 0.110 55.889 56.100 -0.535 0.000 1.431 86 R CB -0.675 29.425 30.300 -0.333 0.000 1.383 86 R HN 0.392 nan 8.270 nan 0.000 0.788 87 N N 0.370 118.831 118.700 -0.398 0.000 2.264 87 N HA 0.105 4.848 4.740 0.005 0.000 0.288 87 N C 0.526 175.995 175.510 -0.068 0.000 1.094 87 N CA -0.499 52.351 53.050 -0.333 0.000 0.817 87 N CB 1.802 39.716 38.487 -0.955 0.000 1.604 87 N HN 0.002 nan 8.380 nan 0.000 0.473 88 R N 1.840 122.361 120.500 0.036 0.000 2.159 88 R HA -0.009 4.334 4.340 0.005 0.000 0.237 88 R C 1.495 177.839 176.300 0.074 0.000 1.131 88 R CA 1.390 57.520 56.100 0.049 0.000 0.982 88 R CB -0.596 29.740 30.300 0.062 0.000 0.868 88 R HN 0.579 nan 8.270 nan 0.000 0.453 89 F N 0.013 119.861 119.950 -0.169 0.000 2.325 89 F HA 0.117 4.647 4.527 0.005 0.000 0.299 89 F C 1.861 177.626 175.800 -0.058 0.000 1.090 89 F CA 0.757 58.697 58.000 -0.101 0.000 1.392 89 F CB -0.433 38.512 39.000 -0.092 0.000 1.053 89 F HN 0.108 nan 8.300 nan 0.000 0.521 90 A N 0.050 122.721 122.820 -0.248 0.000 1.930 90 A HA -0.156 4.167 4.320 0.005 0.000 0.217 90 A C 2.296 179.998 177.584 0.197 0.000 1.175 90 A CA 1.463 53.510 52.037 0.016 0.000 0.627 90 A CB -0.507 18.522 19.000 0.048 0.000 0.815 90 A HN 0.375 nan 8.150 nan 0.000 0.443 91 K N -0.344 120.111 120.400 0.092 0.000 2.026 91 K HA -0.088 4.235 4.320 0.005 0.000 0.208 91 K C 1.772 178.375 176.600 0.004 0.000 1.048 91 K CA 1.365 57.665 56.287 0.021 0.000 0.929 91 K CB -0.297 32.143 32.500 -0.099 0.000 0.713 91 K HN 0.363 nan 8.250 nan 0.000 0.439 92 I N 1.416 121.991 120.570 0.010 0.000 2.179 92 I HA -0.235 3.938 4.170 0.005 0.000 0.242 92 I C 2.255 178.439 176.117 0.111 0.000 1.088 92 I CA 1.478 62.798 61.300 0.033 0.000 1.357 92 I CB -0.970 37.094 38.000 0.106 0.000 1.051 92 I HN 0.183 nan 8.210 nan 0.000 0.409 93 L N 0.388 121.654 121.223 0.073 0.000 2.191 93 L HA -0.110 4.233 4.340 0.005 0.000 0.212 93 L C 2.535 179.744 176.870 0.566 0.000 1.103 93 L CA 1.204 56.263 54.840 0.365 0.000 0.769 93 L CB -0.937 41.244 42.059 0.203 0.000 0.908 93 L HN 0.293 nan 8.230 nan 0.000 0.438 94 G N -0.651 108.331 108.800 0.303 0.000 2.443 94 G HA2 -0.154 3.809 3.960 0.005 0.000 0.219 94 G HA3 -0.154 3.809 3.960 0.005 0.000 0.219 94 G C 1.561 176.393 174.900 -0.113 0.000 1.131 94 G CA 0.534 45.582 45.100 -0.085 0.000 0.775 94 G HN 0.202 nan 8.290 nan 0.000 0.547 95 V N 0.380 120.213 119.914 -0.137 0.000 2.568 95 V HA -0.162 3.961 4.120 0.005 0.000 0.253 95 V C 2.394 178.277 176.094 -0.351 0.000 1.072 95 V CA 1.316 63.366 62.300 -0.416 0.000 1.084 95 V CB -0.631 30.708 31.823 -0.807 0.000 0.676 95 V HN 0.354 nan 8.190 nan 0.000 0.469 96 F N 1.258 121.158 119.950 -0.084 0.000 2.269 96 F HA -0.037 4.493 4.527 0.005 0.000 0.301 96 F C 2.314 177.770 175.800 -0.572 0.000 1.082 96 F CA 1.424 59.351 58.000 -0.122 0.000 1.360 96 F CB -0.802 38.169 39.000 -0.047 0.000 1.041 96 F HN 0.242 nan 8.300 nan 0.000 0.512 97 G N -0.896 107.560 108.800 -0.573 0.000 2.848 97 G HA2 0.010 3.973 3.960 0.005 0.000 0.208 97 G HA3 0.010 3.973 3.960 0.005 0.000 0.208 97 G C 1.455 176.234 174.900 -0.203 0.000 1.152 97 G CA 0.301 45.123 45.100 -0.462 0.000 0.789 97 G HN 0.338 nan 8.290 nan 0.000 0.531 98 L N -2.272 118.829 121.223 -0.202 0.000 2.445 98 L HA 0.264 4.607 4.340 0.005 0.000 0.207 98 L C 2.353 179.176 176.870 -0.078 0.000 1.053 98 L CA -0.099 54.636 54.840 -0.176 0.000 0.841 98 L CB -0.177 41.676 42.059 -0.344 0.000 1.074 98 L HN 0.354 nan 8.230 nan 0.000 0.479 99 W N 1.718 122.869 121.300 -0.247 0.000 2.379 99 W HA -0.143 4.520 4.660 0.005 0.000 0.307 99 W C 2.188 178.701 176.519 -0.010 0.000 1.200 99 W CA 1.589 58.856 57.345 -0.131 0.000 1.297 99 W CB -0.111 29.266 29.460 -0.139 0.000 1.140 99 W HN -0.065 nan 8.180 nan 0.000 0.507 100 I N 1.901 122.512 120.570 0.068 0.000 2.118 100 I HA -0.299 3.874 4.170 0.005 0.000 0.241 100 I C -0.308 175.755 176.117 -0.091 0.000 1.070 100 I CA 1.794 63.030 61.300 -0.105 0.000 1.327 100 I CB -2.079 35.901 38.000 -0.034 0.000 1.034 100 I HN -0.034 nan 8.210 nan 0.000 0.405 101 P HA -0.158 nan 4.420 nan 0.000 0.219 101 P C 1.901 179.162 177.300 -0.066 0.000 1.150 101 P CA 1.244 64.345 63.100 0.002 0.000 0.814 101 P CB -0.015 31.683 31.700 -0.004 0.000 0.787 102 L N 0.126 121.301 121.223 -0.081 0.000 2.027 102 L HA -0.094 4.248 4.340 0.005 0.000 0.206 102 L C 2.456 179.279 176.870 -0.078 0.000 1.074 102 L CA 1.694 56.504 54.840 -0.051 0.000 0.745 102 L CB -1.245 40.805 42.059 -0.015 0.000 0.898 102 L HN -0.244 nan 8.230 nan 0.000 0.433 103 V N -1.207 118.573 119.914 -0.224 0.000 2.343 103 V HA -0.250 3.872 4.120 0.005 0.000 0.247 103 V C 2.473 178.564 176.094 -0.005 0.000 1.051 103 V CA 1.578 63.770 62.300 -0.182 0.000 1.036 103 V CB -0.391 31.113 31.823 -0.532 0.000 0.654 103 V HN 0.341 nan 8.190 nan 0.000 0.451 104 V N 0.328 120.204 119.914 -0.064 0.000 2.358 104 V HA -0.234 3.889 4.120 0.005 0.000 0.246 104 V C 2.718 178.583 176.094 -0.383 0.000 1.047 104 V CA 1.823 63.986 62.300 -0.228 0.000 1.035 104 V CB -1.153 30.648 31.823 -0.036 0.000 0.658 104 V HN 0.554 nan 8.190 nan 0.000 0.452 105 A N 0.178 122.898 122.820 -0.166 0.000 1.917 105 A HA -0.239 4.084 4.320 0.005 0.000 0.219 105 A C 2.165 179.765 177.584 0.027 0.000 1.182 105 A CA 2.154 54.148 52.037 -0.070 0.000 0.633 105 A CB -0.661 18.330 19.000 -0.015 0.000 0.819 105 A HN 0.519 nan 8.150 nan 0.000 0.448 106 I N -1.183 119.425 120.570 0.065 0.000 2.423 106 I HA -0.304 3.868 4.170 0.005 0.000 0.254 106 I C 2.297 178.526 176.117 0.187 0.000 1.151 106 I CA 1.875 63.268 61.300 0.154 0.000 1.421 106 I CB -0.259 37.849 38.000 0.179 0.000 1.079 106 I HN 0.768 nan 8.210 nan 0.000 0.431 107 Y N -3.009 117.378 120.300 0.145 0.000 2.535 107 Y HA 0.100 4.653 4.550 0.004 0.000 0.266 107 Y C 2.168 178.139 175.900 0.118 0.000 1.088 107 Y CA -0.256 57.919 58.100 0.125 0.000 1.285 107 Y CB -0.971 37.568 38.460 0.131 0.000 1.166 107 Y HN -0.019 nan 8.280 nan 0.000 0.525 108 Y N 1.380 121.466 120.300 -0.356 0.000 2.200 108 Y HA -0.126 4.426 4.550 0.005 0.000 0.290 108 Y C 2.260 178.114 175.900 -0.077 0.000 1.137 108 Y CA 2.091 60.054 58.100 -0.228 0.000 1.163 108 Y CB -0.176 38.099 38.460 -0.308 0.000 0.988 108 Y HN 0.027 nan 8.280 nan 0.000 0.518 109 V N -0.561 119.477 119.914 0.206 0.000 2.490 109 V HA -0.297 3.826 4.120 0.005 0.000 0.250 109 V C 1.936 178.209 176.094 0.298 0.000 1.061 109 V CA 1.999 64.452 62.300 0.256 0.000 1.064 109 V CB -1.074 30.941 31.823 0.319 0.000 0.670 109 V HN 0.506 nan 8.190 nan 0.000 0.461 110 Y N 0.780 121.107 120.300 0.046 0.000 2.163 110 Y HA -0.153 4.400 4.550 0.005 0.000 0.288 110 Y C 2.224 177.743 175.900 -0.636 0.000 1.136 110 Y CA 1.282 59.256 58.100 -0.210 0.000 1.147 110 Y CB -0.329 37.876 38.460 -0.426 0.000 0.987 110 Y HN 0.196 nan 8.280 nan 0.000 0.509 111 I N 0.204 120.186 120.570 -0.981 0.000 2.286 111 I HA -0.279 3.893 4.170 0.005 0.000 0.248 111 I C 2.511 178.179 176.117 -0.749 0.000 1.115 111 I CA 1.816 62.153 61.300 -1.605 0.000 1.392 111 I CB -0.486 36.897 38.000 -1.028 0.000 1.065 111 I HN 0.302 nan 8.210 nan 0.000 0.418 112 E N 1.249 121.229 120.200 -0.367 0.000 2.077 112 E HA -0.261 4.092 4.350 0.005 0.000 0.193 112 E C 2.283 178.975 176.600 0.153 0.000 0.989 112 E CA 1.825 58.190 56.400 -0.058 0.000 0.800 112 E CB 0.008 29.711 29.700 0.005 0.000 0.746 112 E HN 0.529 nan 8.360 nan 0.000 0.452 113 S N -0.113 115.673 115.700 0.143 0.000 2.400 113 S HA -0.165 4.308 4.470 0.005 0.000 0.232 113 S C 1.682 176.484 174.600 0.336 0.000 1.025 113 S CA 1.005 59.378 58.200 0.289 0.000 0.993 113 S CB -0.743 62.745 63.200 0.480 0.000 0.808 113 S HN 0.438 nan 8.310 nan 0.000 0.478 114 W N 2.870 124.179 121.300 0.015 0.000 2.358 114 W HA 0.009 4.671 4.660 0.004 0.000 0.303 114 W C 3.070 179.587 176.519 -0.003 0.000 1.208 114 W CA 1.362 58.670 57.345 -0.062 0.000 1.274 114 W CB -1.943 27.255 29.460 -0.437 0.000 1.138 114 W HN 0.622 nan 8.180 nan 0.000 0.515 115 T N -0.742 114.007 114.554 0.325 0.000 2.788 115 T HA -0.202 4.150 4.350 0.005 0.000 0.268 115 T C 1.944 176.760 174.700 0.193 0.000 1.044 115 T CA 1.458 63.706 62.100 0.246 0.000 1.139 115 T CB -0.819 68.184 68.868 0.224 0.000 0.867 115 T HN -0.017 nan 8.240 nan 0.000 0.454 116 L N 2.230 123.524 121.223 0.119 0.000 2.017 116 L HA 0.266 4.609 4.340 0.005 0.000 0.208 116 L C 2.755 179.692 176.870 0.111 0.000 1.073 116 L CA 2.132 56.888 54.840 -0.139 0.000 0.745 116 L CB -1.337 40.439 42.059 -0.472 0.000 0.894 116 L HN 0.388 nan 8.230 nan 0.000 0.432 117 G N -1.304 107.629 108.800 0.222 0.000 2.418 117 G HA2 -0.297 3.666 3.960 0.005 0.000 0.217 117 G HA3 -0.297 3.666 3.960 0.005 0.000 0.217 117 G C 1.428 176.612 174.900 0.473 0.000 1.158 117 G CA 0.893 46.217 45.100 0.374 0.000 0.771 117 G HN 0.390 nan 8.290 nan 0.000 0.545 118 F N 1.763 121.709 119.950 -0.006 0.000 2.186 118 F HA 0.119 4.648 4.527 0.004 0.000 0.299 118 F C 2.982 178.907 175.800 0.208 0.000 1.090 118 F CA 0.524 58.491 58.000 -0.056 0.000 1.307 118 F CB -0.556 37.883 39.000 -0.937 0.000 1.019 118 F HN 0.245 nan 8.300 nan 0.000 0.489 119 A N 0.397 123.454 122.820 0.395 0.000 1.877 119 A HA -0.168 4.155 4.320 0.005 0.000 0.216 119 A C 2.313 180.264 177.584 0.612 0.000 1.186 119 A CA 1.748 54.113 52.037 0.547 0.000 0.620 119 A CB -1.103 18.150 19.000 0.420 0.000 0.822 119 A HN 0.353 nan 8.150 nan 0.000 0.443 120 I N -0.509 120.334 120.570 0.455 0.000 2.127 120 I HA -0.310 3.863 4.170 0.005 0.000 0.241 120 I C 2.480 178.779 176.117 0.303 0.000 1.075 120 I CA 1.912 63.438 61.300 0.377 0.000 1.334 120 I CB -0.314 37.952 38.000 0.443 0.000 1.040 120 I HN 0.307 nan 8.210 nan 0.000 0.405 121 K N -0.024 120.573 120.400 0.328 0.000 2.148 121 K HA -0.107 4.216 4.320 0.005 0.000 0.204 121 K C 2.018 178.691 176.600 0.121 0.000 1.050 121 K CA 1.291 57.674 56.287 0.160 0.000 0.942 121 K CB -0.157 32.446 32.500 0.172 0.000 0.724 121 K HN 0.124 nan 8.250 nan 0.000 0.446 122 F N 0.767 120.828 119.950 0.184 0.000 2.259 122 F HA -0.114 4.416 4.527 0.005 0.000 0.298 122 F C 2.028 177.925 175.800 0.163 0.000 1.088 122 F CA 0.579 58.709 58.000 0.218 0.000 1.358 122 F CB -0.171 39.071 39.000 0.404 0.000 1.040 122 F HN -0.044 nan 8.300 nan 0.000 0.505 123 L N -0.370 121.000 121.223 0.246 0.000 2.056 123 L HA -0.096 4.247 4.340 0.005 0.000 0.207 123 L C 1.840 178.684 176.870 -0.044 0.000 1.078 123 L CA 1.642 56.410 54.840 -0.120 0.000 0.749 123 L CB -0.657 41.166 42.059 -0.392 0.000 0.901 123 L HN -0.064 nan 8.230 nan 0.000 0.433 124 V N 0.352 120.264 119.914 -0.004 0.000 3.623 124 V HA 0.271 4.394 4.120 0.005 0.000 0.271 124 V C 1.670 177.742 176.094 -0.036 0.000 1.248 124 V CA 0.697 62.983 62.300 -0.024 0.000 1.156 124 V CB -1.064 30.746 31.823 -0.022 0.000 0.870 124 V HN 0.713 nan 8.190 nan 0.000 0.453 125 G N 0.957 109.736 108.800 -0.036 0.000 2.179 125 G HA2 -0.278 3.684 3.960 0.005 0.000 0.257 125 G HA3 -0.278 3.684 3.960 0.005 0.000 0.257 125 G C 0.286 175.102 174.900 -0.140 0.000 1.010 125 G CA 0.262 45.314 45.100 -0.080 0.000 0.736 125 G HN 0.515 nan 8.290 nan 0.000 0.513 126 L N 0.913 122.047 121.223 -0.148 0.000 2.727 126 L HA 0.411 4.754 4.340 0.005 0.000 0.237 126 L C 1.108 177.844 176.870 -0.222 0.000 1.370 126 L CA -0.422 54.331 54.840 -0.146 0.000 1.248 126 L CB -0.176 41.815 42.059 -0.115 0.000 1.556 126 L HN 0.324 nan 8.230 nan 0.000 0.420 127 V N -2.377 117.298 119.914 -0.397 0.000 3.166 127 V HA 0.740 4.863 4.120 0.005 0.000 0.317 127 V C -2.442 173.309 176.094 -0.573 0.000 1.136 127 V CA -2.295 59.548 62.300 -0.761 0.000 1.035 127 V CB 1.160 32.365 31.823 -1.029 0.000 1.110 127 V HN 0.098 nan 8.190 nan 0.000 0.450 128 P HA 0.390 nan 4.420 nan 0.000 0.275 128 P C -0.913 176.123 177.300 -0.441 0.000 1.228 128 P CA -0.115 62.612 63.100 -0.621 0.000 0.786 128 P CB 0.396 31.519 31.700 -0.963 0.000 0.927 129 E N 2.814 122.870 120.200 -0.240 0.000 2.073 129 E HA 0.296 4.649 4.350 0.005 0.000 0.269 129 E C -2.169 174.398 176.600 -0.055 0.000 0.917 129 E CA -1.668 54.668 56.400 -0.106 0.000 0.757 129 E CB 0.820 30.479 29.700 -0.070 0.000 1.111 129 E HN 0.353 nan 8.360 nan 0.000 0.410 130 P HA 0.235 nan 4.420 nan 0.000 0.277 130 P C -2.508 174.825 177.300 0.056 0.000 1.240 130 P CA -1.436 61.709 63.100 0.076 0.000 0.798 130 P CB -0.146 31.667 31.700 0.189 0.000 0.979 131 P HA 0.128 nan 4.420 nan 0.000 0.263 131 P C -2.291 175.037 177.300 0.047 0.000 1.195 131 P CA -0.640 62.483 63.100 0.038 0.000 0.762 131 P CB -0.493 31.228 31.700 0.035 0.000 0.799 136 D N 3.371 123.805 120.400 0.056 0.000 2.371 136 D HA 0.231 4.873 4.640 0.005 0.000 0.242 136 D C -1.390 174.972 176.300 0.103 0.000 1.218 136 D CA -1.584 52.458 54.000 0.070 0.000 0.945 136 D CB 0.849 41.683 40.800 0.056 0.000 1.137 136 D HN 0.274 nan 8.370 nan 0.000 0.464 137 P HA -0.171 nan 4.420 nan 0.000 0.216 137 P C 0.567 177.958 177.300 0.152 0.000 1.150 137 P CA 1.201 64.432 63.100 0.219 0.000 0.837 137 P CB 0.178 32.058 31.700 0.301 0.000 0.786 138 D N -0.371 120.085 120.400 0.093 0.000 2.269 138 D HA -0.093 4.550 4.640 0.005 0.000 0.208 138 D C 2.127 178.470 176.300 0.072 0.000 0.963 138 D CA 1.341 55.379 54.000 0.063 0.000 0.864 138 D CB -0.508 40.312 40.800 0.034 0.000 0.936 138 D HN 0.278 nan 8.370 nan 0.000 0.505 139 S N -0.292 115.455 115.700 0.078 0.000 2.453 139 S HA -0.046 4.426 4.470 0.005 0.000 0.231 139 S C 1.797 176.461 174.600 0.107 0.000 1.005 139 S CA 0.298 58.543 58.200 0.075 0.000 0.949 139 S CB -0.029 63.209 63.200 0.062 0.000 0.774 139 S HN 0.087 nan 8.310 nan 0.000 0.510 140 I N 1.296 121.951 120.570 0.143 0.000 2.429 140 I HA 0.164 4.337 4.170 0.005 0.000 0.247 140 I C 2.330 178.613 176.117 0.277 0.000 1.099 140 I CA 0.610 62.032 61.300 0.204 0.000 1.422 140 I CB -1.287 36.826 38.000 0.190 0.000 1.112 140 I HN 0.304 nan 8.210 nan 0.000 0.430 141 L N 0.326 121.672 121.223 0.205 0.000 2.109 141 L HA -0.101 4.242 4.340 0.005 0.000 0.207 141 L C 2.783 179.769 176.870 0.194 0.000 1.086 141 L CA 0.954 55.911 54.840 0.195 0.000 0.760 141 L CB -0.530 41.581 42.059 0.087 0.000 0.910 141 L HN 0.186 nan 8.230 nan 0.000 0.437 142 R N 0.412 120.982 120.500 0.115 0.000 2.083 142 R HA -0.164 4.179 4.340 0.005 0.000 0.237 142 R C -0.420 175.905 176.300 0.041 0.000 1.137 142 R CA 1.729 57.856 56.100 0.046 0.000 0.951 142 R CB -1.099 29.212 30.300 0.019 0.000 0.851 142 R HN 0.236 nan 8.270 nan 0.000 0.434 143 P HA -0.135 nan 4.420 nan 0.000 0.218 143 P C 0.635 177.864 177.300 -0.119 0.000 1.148 143 P CA 1.406 64.457 63.100 -0.081 0.000 0.822 143 P CB -0.080 31.508 31.700 -0.187 0.000 0.784 144 F N -0.136 119.861 119.950 0.079 0.000 2.335 144 F HA 0.035 4.566 4.527 0.005 0.000 0.296 144 F C 2.422 178.343 175.800 0.201 0.000 1.091 144 F CA 0.975 59.072 58.000 0.161 0.000 1.399 144 F CB -0.522 38.575 39.000 0.163 0.000 1.067 144 F HN -0.178 nan 8.300 nan 0.000 0.520 145 K N 0.976 121.495 120.400 0.198 0.000 2.057 145 K HA -0.191 4.132 4.320 0.005 0.000 0.207 145 K C 1.732 178.211 176.600 -0.201 0.000 1.049 145 K CA 1.814 58.057 56.287 -0.073 0.000 0.931 145 K CB -0.150 32.192 32.500 -0.264 0.000 0.714 145 K HN 0.261 nan 8.250 nan 0.000 0.440 146 E N -0.398 119.748 120.200 -0.090 0.000 2.150 146 E HA -0.174 4.179 4.350 0.005 0.000 0.193 146 E C 1.766 178.431 176.600 0.109 0.000 0.985 146 E CA 0.909 57.297 56.400 -0.020 0.000 0.814 146 E CB -0.141 29.552 29.700 -0.011 0.000 0.752 146 E HN 0.311 nan 8.360 nan 0.000 0.466 147 F N 1.272 121.219 119.950 -0.005 0.000 2.113 147 F HA -0.183 4.347 4.527 0.005 0.000 0.297 147 F C 2.076 177.953 175.800 0.129 0.000 1.103 147 F CA 0.973 58.969 58.000 -0.005 0.000 1.248 147 F CB -0.116 38.830 39.000 -0.090 0.000 0.999 147 F HN 0.002 nan 8.300 nan 0.000 0.475 148 L N -0.449 121.031 121.223 0.427 0.000 2.027 148 L HA -0.215 4.127 4.340 0.005 0.000 0.206 148 L C 2.119 179.141 176.870 0.255 0.000 1.074 148 L CA 1.863 56.960 54.840 0.428 0.000 0.745 148 L CB -1.411 40.946 42.059 0.496 0.000 0.898 148 L HN 0.155 nan 8.230 nan 0.000 0.433 149 Y N -0.017 120.293 120.300 0.016 0.000 2.207 149 Y HA -0.176 4.376 4.550 0.005 0.000 0.287 149 Y C 2.814 178.666 175.900 -0.080 0.000 1.156 149 Y CA 1.249 59.323 58.100 -0.044 0.000 1.182 149 Y CB -1.171 37.285 38.460 -0.006 0.000 0.979 149 Y HN 0.281 nan 8.280 nan 0.000 0.521 150 S N -1.501 114.246 115.700 0.078 0.000 2.436 150 S HA -0.137 4.336 4.470 0.005 0.000 0.228 150 S C 1.744 176.290 174.600 -0.091 0.000 1.014 150 S CA 0.549 58.730 58.200 -0.031 0.000 0.950 150 S CB -0.500 62.660 63.200 -0.066 0.000 0.784 150 S HN 0.532 nan 8.310 nan 0.000 0.504 151 Y N 2.988 123.142 120.300 -0.243 0.000 2.130 151 Y HA 0.007 4.560 4.550 0.005 0.000 0.287 151 Y C 1.998 177.726 175.900 -0.286 0.000 1.124 151 Y CA 1.611 59.554 58.100 -0.262 0.000 1.118 151 Y CB -0.204 38.098 38.460 -0.263 0.000 0.994 151 Y HN 0.281 nan 8.280 nan 0.000 0.497 152 I N -2.379 118.049 120.570 -0.237 0.000 3.251 152 I HA 0.309 4.481 4.170 0.005 0.000 0.277 152 I C 1.297 177.243 176.117 -0.286 0.000 1.268 152 I CA 0.848 61.904 61.300 -0.408 0.000 1.449 152 I CB -0.582 36.974 38.000 -0.740 0.000 1.083 152 I HN 0.349 nan 8.210 nan 0.000 0.464 153 G N 2.424 111.094 108.800 -0.217 0.000 2.289 153 G HA2 -0.194 3.769 3.960 0.005 0.000 0.280 153 G HA3 -0.194 3.769 3.960 0.005 0.000 0.280 153 G C 0.043 174.838 174.900 -0.175 0.000 1.089 153 G CA 0.124 45.126 45.100 -0.164 0.000 0.939 153 G HN 0.294 nan 8.290 nan 0.000 0.499 154 V N 0.854 120.621 119.914 -0.245 0.000 2.720 154 V HA 0.146 4.269 4.120 0.005 0.000 0.307 154 V C -0.863 175.129 176.094 -0.170 0.000 1.071 154 V CA -0.219 61.895 62.300 -0.310 0.000 1.199 154 V CB 0.511 31.923 31.823 -0.685 0.000 0.900 154 V HN 0.385 nan 8.190 nan 0.000 0.494 155 P HA 0.127 nan 4.420 nan 0.000 0.264 155 P C 0.204 177.475 177.300 -0.047 0.000 1.193 155 P CA 0.103 63.156 63.100 -0.079 0.000 0.763 155 P CB 0.381 32.032 31.700 -0.082 0.000 0.810 156 K N 1.354 121.743 120.400 -0.018 0.000 2.352 156 K HA 0.164 4.487 4.320 0.005 0.000 0.194 156 K C 1.322 177.927 176.600 0.007 0.000 1.038 156 K CA 0.238 56.530 56.287 0.008 0.000 1.023 156 K CB 0.427 32.937 32.500 0.016 0.000 0.840 156 K HN 0.559 nan 8.250 nan 0.000 0.519 157 G N 1.444 110.244 108.800 -0.001 0.000 3.019 157 G HA2 0.031 3.993 3.960 0.005 0.000 0.152 157 G HA3 0.031 3.993 3.960 0.005 0.000 0.152 157 G C -0.275 174.623 174.900 -0.003 0.000 1.320 157 G CA -0.189 44.913 45.100 0.004 0.000 1.013 157 G HN 0.137 nan 8.290 nan 0.000 0.593 158 D N -0.798 119.604 120.400 0.004 0.000 2.433 158 D HA 0.132 4.775 4.640 0.005 0.000 0.211 158 D C 0.292 176.589 176.300 -0.006 0.000 1.114 158 D CA -0.130 53.869 54.000 -0.001 0.000 0.837 158 D CB 0.256 41.069 40.800 0.022 0.000 0.984 158 D HN 0.397 nan 8.370 nan 0.000 0.505 159 E N 1.854 122.055 120.200 0.001 0.000 2.313 159 E HA 0.189 4.542 4.350 0.005 0.000 0.276 159 E C -1.915 174.656 176.600 -0.049 0.000 1.031 159 E CA -1.778 54.626 56.400 0.006 0.000 0.857 159 E CB 1.126 30.844 29.700 0.030 0.000 1.040 159 E HN 0.052 nan 8.360 nan 0.000 0.408 160 P HA 0.143 nan 4.420 nan 0.000 0.226 160 P C -0.756 176.490 177.300 -0.090 0.000 1.758 160 P CA 0.187 63.193 63.100 -0.156 0.000 0.896 160 P CB -0.078 31.453 31.700 -0.281 0.000 1.784 161 I N 1.179 121.721 120.570 -0.047 0.000 2.406 161 I HA 0.319 4.492 4.170 0.005 0.000 0.290 161 I C 0.572 176.680 176.117 -0.014 0.000 0.999 161 I CA -1.371 59.927 61.300 -0.004 0.000 1.124 161 I CB 1.818 39.834 38.000 0.027 0.000 1.289 161 I HN -0.070 nan 8.210 nan 0.000 0.441 162 L N 5.918 127.136 121.223 -0.009 0.000 2.379 162 L HA 0.489 4.832 4.340 0.005 0.000 0.269 162 L C 0.639 177.490 176.870 -0.032 0.000 1.084 162 L CA -0.551 54.247 54.840 -0.069 0.000 0.802 162 L CB 0.935 42.911 42.059 -0.139 0.000 1.175 162 L HN 0.416 nan 8.230 nan 0.000 0.448 163 K N 3.796 124.147 120.400 -0.082 0.000 2.753 163 K HA 0.325 4.648 4.320 0.005 0.000 0.185 163 K C -2.597 173.925 176.600 -0.129 0.000 1.071 163 K CA -1.683 54.581 56.287 -0.040 0.000 0.999 163 K CB 1.211 33.716 32.500 0.007 0.000 1.244 163 K HN 0.221 nan 8.250 nan 0.000 0.594 164 P HA -0.045 nan 4.420 nan 0.000 0.266 164 P C 0.091 177.288 177.300 -0.172 0.000 1.195 164 P CA 0.151 63.099 63.100 -0.254 0.000 0.768 164 P CB 0.577 32.092 31.700 -0.310 0.000 0.838 165 S N 2.286 117.857 115.700 -0.216 0.000 2.576 165 S HA -0.023 4.450 4.470 0.005 0.000 0.272 165 S C 1.324 175.889 174.600 -0.058 0.000 1.352 165 S CA -0.568 57.553 58.200 -0.132 0.000 1.021 165 S CB 0.066 63.176 63.200 -0.149 0.000 0.887 165 S HN 0.410 nan 8.310 nan 0.000 0.542 166 L N 1.342 122.573 121.223 0.014 0.000 2.079 166 L HA 0.017 4.360 4.340 0.005 0.000 0.210 166 L C 1.997 178.952 176.870 0.142 0.000 1.081 166 L CA 1.826 56.714 54.840 0.080 0.000 0.752 166 L CB -1.114 40.989 42.059 0.074 0.000 0.896 166 L HN 0.825 nan 8.230 nan 0.000 0.433 167 F N 0.446 120.373 119.950 -0.039 0.000 2.102 167 F HA -0.171 4.359 4.527 0.004 0.000 0.298 167 F C 2.323 178.092 175.800 -0.050 0.000 1.105 167 F CA 1.476 59.465 58.000 -0.018 0.000 1.239 167 F CB -0.828 38.161 39.000 -0.018 0.000 0.991 167 F HN 0.161 nan 8.300 nan 0.000 0.474 168 A N -0.778 121.805 122.820 -0.395 0.000 1.902 168 A HA -0.264 4.059 4.320 0.005 0.000 0.217 168 A C 2.166 179.689 177.584 -0.102 0.000 1.181 168 A CA 1.759 53.425 52.037 -0.620 0.000 0.623 168 A CB -1.672 16.700 19.000 -1.047 0.000 0.818 168 A HN 0.605 nan 8.150 nan 0.000 0.443 169 Y N 0.279 120.518 120.300 -0.102 0.000 2.163 169 Y HA -0.146 4.407 4.550 0.005 0.000 0.288 169 Y C 2.052 178.035 175.900 0.139 0.000 1.136 169 Y CA 1.857 59.992 58.100 0.057 0.000 1.147 169 Y CB -0.183 38.309 38.460 0.054 0.000 0.987 169 Y HN 0.263 nan 8.280 nan 0.000 0.509 170 I N -1.189 119.484 120.570 0.171 0.000 2.315 170 I HA -0.277 3.896 4.170 0.005 0.000 0.248 170 I C 2.108 178.211 176.117 -0.023 0.000 1.117 170 I CA 1.033 62.386 61.300 0.088 0.000 1.404 170 I CB -0.435 37.629 38.000 0.106 0.000 1.071 170 I HN 0.059 nan 8.210 nan 0.000 0.419 171 V N 0.585 120.429 119.914 -0.118 0.000 2.515 171 V HA -0.279 3.844 4.120 0.005 0.000 0.250 171 V C 2.230 178.371 176.094 0.079 0.000 1.058 171 V CA 1.635 63.873 62.300 -0.103 0.000 1.064 171 V CB -0.719 30.945 31.823 -0.265 0.000 0.675 171 V HN 0.370 nan 8.190 nan 0.000 0.461 172 F N 0.487 120.432 119.950 -0.008 0.000 2.113 172 F HA -0.143 4.387 4.527 0.005 0.000 0.297 172 F C 2.036 177.859 175.800 0.038 0.000 1.103 172 F CA 1.518 59.556 58.000 0.064 0.000 1.248 172 F CB -0.412 38.618 39.000 0.050 0.000 0.999 172 F HN 0.028 nan 8.300 nan 0.000 0.475 173 L N -0.097 121.036 121.223 -0.149 0.000 2.043 173 L HA -0.277 4.066 4.340 0.005 0.000 0.212 173 L C 2.483 179.257 176.870 -0.161 0.000 1.075 173 L CA 1.581 56.274 54.840 -0.246 0.000 0.752 173 L CB -0.580 41.389 42.059 -0.150 0.000 0.891 173 L HN 0.199 nan 8.230 nan 0.000 0.432 174 I N -1.168 119.364 120.570 -0.063 0.000 2.252 174 I HA -0.272 3.901 4.170 0.005 0.000 0.245 174 I C 2.426 178.598 176.117 0.092 0.000 1.102 174 I CA 1.433 62.750 61.300 0.029 0.000 1.385 174 I CB -0.488 37.525 38.000 0.022 0.000 1.064 174 I HN 0.231 nan 8.210 nan 0.000 0.414 175 T N 0.839 115.421 114.554 0.046 0.000 2.720 175 T HA -0.178 4.175 4.350 0.005 0.000 0.268 175 T C 1.961 176.652 174.700 -0.015 0.000 1.037 175 T CA 1.283 63.446 62.100 0.105 0.000 1.144 175 T CB -0.115 68.854 68.868 0.169 0.000 0.864 175 T HN 0.151 nan 8.240 nan 0.000 0.444 176 M N 0.392 119.877 119.600 -0.193 0.000 2.117 176 M HA 0.035 4.518 4.480 0.005 0.000 0.262 176 M C 2.109 178.344 176.300 -0.109 0.000 1.065 176 M CA 1.262 56.427 55.300 -0.225 0.000 1.114 176 M CB -1.296 31.063 32.600 -0.401 0.000 1.361 176 M HN 0.277 nan 8.290 nan 0.000 0.408 177 F N 1.222 121.058 119.950 -0.190 0.000 2.126 177 F HA -0.193 4.337 4.527 0.005 0.000 0.299 177 F C 2.121 177.861 175.800 -0.101 0.000 1.096 177 F CA 1.506 59.422 58.000 -0.140 0.000 1.255 177 F CB -0.307 38.623 39.000 -0.117 0.000 0.997 177 F HN 0.024 nan 8.300 nan 0.000 0.479 178 I N 0.115 120.638 120.570 -0.077 0.000 2.353 178 I HA -0.289 3.884 4.170 0.005 0.000 0.248 178 I C 2.181 178.133 176.117 -0.274 0.000 1.119 178 I CA 1.070 62.275 61.300 -0.159 0.000 1.417 178 I CB -0.623 37.425 38.000 0.080 0.000 1.078 178 I HN 0.223 nan 8.210 nan 0.000 0.421 179 N N 0.577 119.153 118.700 -0.208 0.000 2.142 179 N HA -0.127 4.616 4.740 0.005 0.000 0.186 179 N C 1.999 177.361 175.510 -0.247 0.000 1.023 179 N CA 1.241 54.157 53.050 -0.223 0.000 0.852 179 N CB -0.007 38.397 38.487 -0.138 0.000 0.998 179 N HN 0.146 nan 8.380 nan 0.000 0.424 180 V N 1.806 121.564 119.914 -0.259 0.000 2.343 180 V HA -0.229 3.893 4.120 0.005 0.000 0.247 180 V C 2.661 178.558 176.094 -0.329 0.000 1.051 180 V CA 2.046 64.189 62.300 -0.260 0.000 1.036 180 V CB -0.742 30.933 31.823 -0.247 0.000 0.654 180 V HN 0.442 nan 8.190 nan 0.000 0.451 181 S N 0.018 115.429 115.700 -0.482 0.000 2.383 181 S HA -0.178 4.294 4.470 0.005 0.000 0.229 181 S C 1.910 176.322 174.600 -0.313 0.000 1.030 181 S CA 1.860 59.787 58.200 -0.455 0.000 1.002 181 S CB -0.609 62.243 63.200 -0.580 0.000 0.829 181 S HN 0.558 nan 8.310 nan 0.000 0.467 182 I N 1.123 121.495 120.570 -0.330 0.000 2.235 182 I HA -0.052 4.121 4.170 0.005 0.000 0.241 182 I C 2.494 178.480 176.117 -0.218 0.000 1.085 182 I CA 0.977 62.101 61.300 -0.294 0.000 1.378 182 I CB -0.397 37.347 38.000 -0.428 0.000 1.076 182 I HN 0.244 nan 8.210 nan 0.000 0.415 183 L N 0.416 121.516 121.223 -0.206 0.000 2.079 183 L HA -0.222 4.121 4.340 0.005 0.000 0.210 183 L C 2.515 179.292 176.870 -0.156 0.000 1.081 183 L CA 1.387 56.132 54.840 -0.159 0.000 0.752 183 L CB -0.347 41.638 42.059 -0.124 0.000 0.896 183 L HN 0.281 nan 8.230 nan 0.000 0.433 184 I N -0.392 120.081 120.570 -0.162 0.000 2.756 184 I HA -0.220 3.952 4.170 0.005 0.000 0.262 184 I C 2.273 178.304 176.117 -0.143 0.000 1.225 184 I CA 0.902 62.116 61.300 -0.144 0.000 1.472 184 I CB -0.031 37.881 38.000 -0.147 0.000 1.094 184 I HN 0.218 nan 8.210 nan 0.000 0.454 185 R N 0.623 121.032 120.500 -0.151 0.000 2.297 185 R HA 0.203 4.546 4.340 0.005 0.000 0.197 185 R C 0.899 177.103 176.300 -0.160 0.000 0.943 185 R CA 0.510 56.527 56.100 -0.137 0.000 1.038 185 R CB 0.189 30.418 30.300 -0.119 0.000 0.957 185 R HN 0.495 nan 8.270 nan 0.000 0.484 186 G N 0.688 109.372 108.800 -0.193 0.000 2.582 186 G HA2 -0.230 3.733 3.960 0.005 0.000 0.222 186 G HA3 -0.230 3.733 3.960 0.005 0.000 0.222 186 G C 0.357 175.050 174.900 -0.344 0.000 1.311 186 G CA -0.563 44.377 45.100 -0.266 0.000 0.915 186 G HN -0.062 nan 8.290 nan 0.000 0.528 187 I N 1.267 121.520 120.570 -0.529 0.000 2.141 187 I HA -0.086 4.087 4.170 0.005 0.000 0.236 187 I C 3.231 179.055 176.117 -0.488 0.000 1.071 187 I CA 2.981 63.815 61.300 -0.778 0.000 1.345 187 I CB -1.715 35.485 38.000 -1.333 0.000 1.066 187 I HN 0.903 nan 8.210 nan 0.000 0.406 188 S N 0.727 116.214 115.700 -0.356 0.000 2.377 188 S HA -0.070 4.403 4.470 0.005 0.000 0.223 188 S C 1.810 176.369 174.600 -0.069 0.000 1.030 188 S CA 0.574 58.693 58.200 -0.135 0.000 0.970 188 S CB -0.363 62.779 63.200 -0.096 0.000 0.830 188 S HN 0.373 nan 8.310 nan 0.000 0.473 189 K N 1.030 121.368 120.400 -0.102 0.000 2.426 189 K HA 0.224 4.547 4.320 0.005 0.000 0.193 189 K C 1.637 178.201 176.600 -0.061 0.000 1.028 189 K CA 0.538 56.786 56.287 -0.065 0.000 1.047 189 K CB 0.170 32.628 32.500 -0.071 0.000 0.821 189 K HN 0.546 nan 8.250 nan 0.000 0.513 190 G N 0.851 109.598 108.800 -0.087 0.000 2.531 190 G HA2 0.034 3.997 3.960 0.005 0.000 0.210 190 G HA3 0.034 3.997 3.960 0.005 0.000 0.210 190 G C 1.283 176.170 174.900 -0.022 0.000 1.547 190 G CA -0.282 44.769 45.100 -0.081 0.000 0.740 190 G HN -0.035 nan 8.290 nan 0.000 0.611 191 I N 0.992 121.536 120.570 -0.044 0.000 2.142 191 I HA -0.137 4.036 4.170 0.005 0.000 0.240 191 I C 2.682 178.890 176.117 0.152 0.000 1.078 191 I CA 1.819 63.153 61.300 0.057 0.000 1.343 191 I CB -0.214 37.798 38.000 0.020 0.000 1.046 191 I HN 0.359 nan 8.210 nan 0.000 0.405 192 E N 1.261 121.574 120.200 0.190 0.000 2.051 192 E HA -0.293 4.059 4.350 0.005 0.000 0.192 192 E C 2.389 179.049 176.600 0.100 0.000 0.991 192 E CA 1.344 57.872 56.400 0.214 0.000 0.799 192 E CB -0.029 29.858 29.700 0.312 0.000 0.748 192 E HN 0.260 nan 8.360 nan 0.000 0.449 193 R N -0.559 119.989 120.500 0.080 0.000 2.073 193 R HA -0.178 4.164 4.340 0.005 0.000 0.234 193 R C 2.287 178.626 176.300 0.064 0.000 1.134 193 R CA 1.699 57.834 56.100 0.058 0.000 0.952 193 R CB -0.460 29.869 30.300 0.048 0.000 0.850 193 R HN 0.255 nan 8.270 nan 0.000 0.433 194 F N 0.986 120.899 119.950 -0.062 0.000 2.134 194 F HA -0.060 4.470 4.527 0.005 0.000 0.299 194 F C 2.093 177.817 175.800 -0.127 0.000 1.097 194 F CA 1.384 59.318 58.000 -0.110 0.000 1.264 194 F CB -0.600 38.306 39.000 -0.156 0.000 1.001 194 F HN 0.126 nan 8.300 nan 0.000 0.479 195 A N 0.326 123.088 122.820 -0.097 0.000 1.948 195 A HA -0.256 4.067 4.320 0.005 0.000 0.220 195 A C 2.274 179.729 177.584 -0.216 0.000 1.177 195 A CA 2.012 53.935 52.037 -0.191 0.000 0.636 195 A CB -0.763 18.205 19.000 -0.053 0.000 0.815 195 A HN 0.480 nan 8.150 nan 0.000 0.449 196 K N -0.815 119.507 120.400 -0.131 0.000 2.148 196 K HA -0.012 4.310 4.320 0.005 0.000 0.204 196 K C 1.671 178.195 176.600 -0.127 0.000 1.050 196 K CA 1.384 57.615 56.287 -0.093 0.000 0.942 196 K CB -0.246 32.233 32.500 -0.034 0.000 0.724 196 K HN 0.595 nan 8.250 nan 0.000 0.446 197 I N 0.066 120.514 120.570 -0.204 0.000 2.585 197 I HA -0.117 4.055 4.170 0.005 0.000 0.254 197 I C 2.351 178.301 176.117 -0.278 0.000 1.129 197 I CA 0.546 61.731 61.300 -0.193 0.000 1.455 197 I CB -0.119 37.781 38.000 -0.166 0.000 1.111 197 I HN 0.051 nan 8.210 nan 0.000 0.433 198 A N 0.806 123.262 122.820 -0.607 0.000 1.930 198 A HA -0.098 4.225 4.320 0.005 0.000 0.215 198 A C 2.305 179.681 177.584 -0.347 0.000 1.176 198 A CA 1.066 52.715 52.037 -0.647 0.000 0.632 198 A CB -0.260 17.923 19.000 -1.362 0.000 0.819 198 A HN 0.190 nan 8.150 nan 0.000 0.445 199 M N -0.460 118.910 119.600 -0.382 0.000 2.099 199 M HA -0.029 4.454 4.480 0.005 0.000 0.262 199 M C -0.474 175.512 176.300 -0.524 0.000 1.067 199 M CA 1.285 56.273 55.300 -0.521 0.000 1.124 199 M CB -2.458 29.894 32.600 -0.414 0.000 1.353 199 M HN 0.124 nan 8.290 nan 0.000 0.410 200 P HA -0.082 nan 4.420 nan 0.000 0.215 200 P C 1.551 178.860 177.300 0.014 0.000 1.157 200 P CA 1.551 64.658 63.100 0.011 0.000 0.868 200 P CB -0.345 31.377 31.700 0.035 0.000 0.788 201 T N 0.490 115.039 114.554 -0.008 0.000 2.607 201 T HA -0.203 4.150 4.350 0.005 0.000 0.267 201 T C 1.751 176.460 174.700 0.015 0.000 1.049 201 T CA 1.270 63.395 62.100 0.042 0.000 1.162 201 T CB -1.171 67.772 68.868 0.125 0.000 0.863 201 T HN 0.066 nan 8.240 nan 0.000 0.424 202 L N -0.139 121.050 121.223 -0.057 0.000 2.012 202 L HA -0.142 4.201 4.340 0.005 0.000 0.210 202 L C 2.254 179.132 176.870 0.013 0.000 1.073 202 L CA 1.769 56.548 54.840 -0.101 0.000 0.748 202 L CB -0.391 41.536 42.059 -0.219 0.000 0.891 202 L HN 0.152 nan 8.230 nan 0.000 0.431 203 F N 0.138 120.128 119.950 0.065 0.000 2.171 203 F HA -0.200 4.330 4.527 0.005 0.000 0.300 203 F C 2.339 178.179 175.800 0.068 0.000 1.090 203 F CA 1.112 59.158 58.000 0.077 0.000 1.293 203 F CB -0.854 38.183 39.000 0.060 0.000 1.013 203 F HN 0.056 nan 8.300 nan 0.000 0.486 204 I N -0.397 120.307 120.570 0.224 0.000 2.142 204 I HA -0.325 3.848 4.170 0.005 0.000 0.240 204 I C 2.394 178.598 176.117 0.145 0.000 1.078 204 I CA 1.263 62.654 61.300 0.151 0.000 1.343 204 I CB -0.597 37.460 38.000 0.094 0.000 1.046 204 I HN 0.062 nan 8.210 nan 0.000 0.405 205 L N 0.423 121.707 121.223 0.102 0.000 2.013 205 L HA -0.271 4.072 4.340 0.005 0.000 0.212 205 L C 2.810 179.765 176.870 0.142 0.000 1.073 205 L CA 1.622 56.519 54.840 0.096 0.000 0.753 205 L CB -0.795 41.266 42.059 0.003 0.000 0.890 205 L HN 0.282 nan 8.230 nan 0.000 0.432 206 A N -0.595 122.302 122.820 0.128 0.000 1.902 206 A HA -0.146 4.177 4.320 0.005 0.000 0.217 206 A C 2.348 180.025 177.584 0.155 0.000 1.181 206 A CA 1.787 53.925 52.037 0.168 0.000 0.623 206 A CB -0.851 18.333 19.000 0.305 0.000 0.818 206 A HN 0.187 nan 8.150 nan 0.000 0.443 207 V N -1.201 118.803 119.914 0.151 0.000 2.295 207 V HA -0.243 3.880 4.120 0.005 0.000 0.246 207 V C 2.281 178.412 176.094 0.062 0.000 1.049 207 V CA 2.183 64.530 62.300 0.078 0.000 1.024 207 V CB -0.905 30.970 31.823 0.088 0.000 0.648 207 V HN 0.637 nan 8.190 nan 0.000 0.447 208 F N 0.274 120.220 119.950 -0.007 0.000 2.126 208 F HA -0.194 4.337 4.527 0.006 0.000 0.299 208 F C 2.027 177.802 175.800 -0.042 0.000 1.096 208 F CA 1.684 59.673 58.000 -0.019 0.000 1.255 208 F CB -0.280 38.721 39.000 0.002 0.000 0.997 208 F HN 0.034 nan 8.300 nan 0.000 0.479 209 L N -0.888 120.317 121.223 -0.030 0.000 2.093 209 L HA -0.212 4.131 4.340 0.005 0.000 0.208 209 L C 2.370 179.135 176.870 -0.175 0.000 1.085 209 L CA 0.887 55.658 54.840 -0.115 0.000 0.755 209 L CB -0.741 41.366 42.059 0.080 0.000 0.904 209 L HN 0.004 nan 8.230 nan 0.000 0.435 210 V N 0.149 119.958 119.914 -0.174 0.000 2.295 210 V HA -0.313 3.810 4.120 0.005 0.000 0.246 210 V C 2.308 178.039 176.094 -0.605 0.000 1.049 210 V CA 1.924 63.995 62.300 -0.382 0.000 1.024 210 V CB -0.313 31.264 31.823 -0.411 0.000 0.648 210 V HN 0.302 nan 8.190 nan 0.000 0.447 211 I N -0.235 120.066 120.570 -0.448 0.000 2.127 211 I HA -0.279 3.894 4.170 0.005 0.000 0.241 211 I C 2.744 178.704 176.117 -0.262 0.000 1.075 211 I CA 1.846 62.946 61.300 -0.334 0.000 1.334 211 I CB -0.400 37.464 38.000 -0.228 0.000 1.040 211 I HN 0.229 nan 8.210 nan 0.000 0.405 212 R N 0.846 121.090 120.500 -0.427 0.000 2.096 212 R HA -0.116 4.226 4.340 0.005 0.000 0.235 212 R C 1.970 178.183 176.300 -0.144 0.000 1.127 212 R CA 1.529 57.403 56.100 -0.376 0.000 0.968 212 R CB -0.801 29.117 30.300 -0.636 0.000 0.861 212 R HN 0.190 nan 8.270 nan 0.000 0.440 213 V N 0.140 120.006 119.914 -0.080 0.000 2.453 213 V HA -0.129 3.994 4.120 0.005 0.000 0.247 213 V C 1.682 177.932 176.094 0.260 0.000 1.048 213 V CA 1.263 63.621 62.300 0.096 0.000 1.049 213 V CB -0.600 31.293 31.823 0.116 0.000 0.672 213 V HN 0.188 nan 8.190 nan 0.000 0.457 214 F N -0.123 119.816 119.950 -0.019 0.000 2.408 214 F HA -0.029 4.503 4.527 0.008 0.000 0.300 214 F C 1.863 177.660 175.800 -0.006 0.000 1.090 214 F CA 0.745 58.743 58.000 -0.002 0.000 1.427 214 F CB -0.717 38.279 39.000 -0.006 0.000 1.070 214 F HN 0.142 nan 8.300 nan 0.000 0.549 215 L N -0.697 120.624 121.223 0.162 0.000 2.591 215 L HA 0.051 4.394 4.340 0.005 0.000 0.228 215 L C 0.639 177.554 176.870 0.075 0.000 1.133 215 L CA -0.037 54.852 54.840 0.082 0.000 0.880 215 L CB -0.272 41.807 42.059 0.034 0.000 1.033 215 L HN -0.115 nan 8.230 nan 0.000 0.450 216 L N 0.926 122.217 121.223 0.113 0.000 2.416 216 L HA 0.157 4.500 4.340 0.005 0.000 0.272 216 L C 0.011 176.921 176.870 0.066 0.000 1.161 216 L CA 0.530 55.459 54.840 0.149 0.000 0.845 216 L CB 0.716 42.932 42.059 0.261 0.000 1.119 216 L HN 0.126 nan 8.230 nan 0.000 0.464 217 E N 1.499 121.693 120.200 -0.010 0.000 2.347 217 E HA 0.429 4.782 4.350 0.005 0.000 0.285 217 E C -1.316 175.139 176.600 -0.243 0.000 0.925 217 E CA -0.427 55.913 56.400 -0.101 0.000 0.779 217 E CB 2.066 31.728 29.700 -0.063 0.000 1.233 217 E HN 0.673 nan 8.360 nan 0.000 0.414 218 T N 0.131 114.507 114.554 -0.297 0.000 2.816 218 T HA 0.438 4.791 4.350 0.005 0.000 0.299 218 T C -2.348 172.210 174.700 -0.237 0.000 1.230 218 T CA -1.570 60.304 62.100 -0.376 0.000 1.007 218 T CB 1.333 69.794 68.868 -0.679 0.000 1.289 218 T HN 0.117 nan 8.240 nan 0.000 0.508 219 P HA -0.011 nan 4.420 nan 0.000 0.220 219 P C 1.023 178.250 177.300 -0.122 0.000 1.144 219 P CA 0.781 63.800 63.100 -0.135 0.000 0.800 219 P CB -0.017 31.613 31.700 -0.117 0.000 0.772 220 N N -1.003 117.602 118.700 -0.158 0.000 2.463 220 N HA 0.110 4.853 4.740 0.005 0.000 0.181 220 N C 1.159 176.612 175.510 -0.095 0.000 1.078 220 N CA 1.143 54.124 53.050 -0.116 0.000 0.902 220 N CB 0.412 38.823 38.487 -0.126 0.000 0.970 220 N HN 0.181 nan 8.380 nan 0.000 0.451 221 G N -0.663 108.069 108.800 -0.113 0.000 2.362 221 G HA2 0.106 4.069 3.960 0.005 0.000 0.288 221 G HA3 0.106 4.069 3.960 0.005 0.000 0.288 221 G C -1.029 173.824 174.900 -0.079 0.000 1.305 221 G CA -0.299 44.754 45.100 -0.078 0.000 0.910 221 G HN 0.182 nan 8.290 nan 0.000 0.518 222 T N -2.638 111.885 114.554 -0.051 0.000 2.910 222 T HA 0.769 5.122 4.350 0.005 0.000 0.287 222 T C 1.634 176.320 174.700 -0.024 0.000 1.050 222 T CA 0.616 62.691 62.100 -0.041 0.000 1.011 222 T CB 1.587 70.424 68.868 -0.052 0.000 1.195 222 T HN 2.091 nan 8.240 nan 0.000 0.540 223 A N 0.488 123.295 122.820 -0.021 0.000 1.972 223 A HA 0.214 4.537 4.320 0.005 0.000 0.219 223 A C 2.539 180.057 177.584 -0.110 0.000 1.169 223 A CA 1.902 53.923 52.037 -0.028 0.000 0.635 223 A CB -1.537 17.461 19.000 -0.003 0.000 0.810 223 A HN 1.305 nan 8.150 nan 0.000 0.446 224 A N 0.161 122.889 122.820 -0.154 0.000 1.972 224 A HA -0.191 4.132 4.320 0.005 0.000 0.219 224 A C 1.692 179.249 177.584 -0.044 0.000 1.169 224 A CA 1.810 53.758 52.037 -0.148 0.000 0.635 224 A CB -0.510 18.410 19.000 -0.133 0.000 0.810 224 A HN 0.490 nan 8.150 nan 0.000 0.446 225 D N -0.198 120.190 120.400 -0.020 0.000 2.144 225 D HA -0.091 4.551 4.640 0.005 0.000 0.199 225 D C 2.040 178.381 176.300 0.069 0.000 0.984 225 D CA 1.457 55.468 54.000 0.018 0.000 0.834 225 D CB -0.686 40.112 40.800 -0.002 0.000 0.955 225 D HN 0.455 nan 8.370 nan 0.000 0.465 226 G N 0.654 109.493 108.800 0.064 0.000 2.408 226 G HA2 -0.154 3.808 3.960 0.005 0.000 0.217 226 G HA3 -0.154 3.808 3.960 0.005 0.000 0.217 226 G C 1.812 176.825 174.900 0.188 0.000 1.150 226 G CA 0.169 45.347 45.100 0.129 0.000 0.776 226 G HN 0.233 nan 8.290 nan 0.000 0.542 227 L N 0.496 121.802 121.223 0.139 0.000 2.056 227 L HA -0.048 4.294 4.340 0.005 0.000 0.207 227 L C 2.695 179.719 176.870 0.258 0.000 1.078 227 L CA 0.807 55.782 54.840 0.225 0.000 0.749 227 L CB -0.396 41.741 42.059 0.129 0.000 0.901 227 L HN 0.118 nan 8.230 nan 0.000 0.433 228 N N -0.005 118.795 118.700 0.167 0.000 2.166 228 N HA -0.224 4.519 4.740 0.005 0.000 0.186 228 N C 1.769 177.365 175.510 0.144 0.000 1.019 228 N CA 1.383 54.523 53.050 0.150 0.000 0.856 228 N CB -0.325 38.221 38.487 0.098 0.000 0.993 228 N HN 0.275 nan 8.380 nan 0.000 0.426 229 F N 1.555 121.508 119.950 0.006 0.000 2.186 229 F HA -0.064 4.464 4.527 0.002 0.000 0.299 229 F C 2.014 177.753 175.800 -0.102 0.000 1.090 229 F CA 0.665 58.640 58.000 -0.043 0.000 1.307 229 F CB -0.299 38.667 39.000 -0.055 0.000 1.019 229 F HN -0.065 nan 8.300 nan 0.000 0.489 230 L N -1.116 119.871 121.223 -0.393 0.000 2.240 230 L HA -0.003 4.340 4.340 0.005 0.000 0.211 230 L C 0.849 177.277 176.870 -0.737 0.000 1.106 230 L CA 1.626 56.032 54.840 -0.725 0.000 0.793 230 L CB -0.708 40.987 42.059 -0.605 0.000 0.927 230 L HN 0.249 nan 8.230 nan 0.000 0.446 231 W N -0.982 120.230 121.300 -0.146 0.000 2.991 231 W HA 0.332 4.993 4.660 0.002 0.000 0.391 231 W C 0.262 176.725 176.519 -0.094 0.000 1.054 231 W CA -0.400 56.887 57.345 -0.098 0.000 1.856 231 W CB 0.141 29.574 29.460 -0.045 0.000 1.132 231 W HN -0.213 nan 8.180 nan 0.000 0.601 232 T N 2.715 117.280 114.554 0.019 0.000 2.738 232 T HA 0.248 4.600 4.350 0.005 0.000 0.298 232 T C -2.415 172.228 174.700 -0.095 0.000 0.962 232 T CA -1.487 60.615 62.100 0.003 0.000 0.972 232 T CB 0.951 69.832 68.868 0.022 0.000 0.928 232 T HN -0.406 nan 8.240 nan 0.000 0.474 233 P HA 0.258 nan 4.420 nan 0.000 0.271 233 P C -0.686 176.421 177.300 -0.322 0.000 1.216 233 P CA -0.332 62.570 63.100 -0.331 0.000 0.771 233 P CB 0.505 31.909 31.700 -0.494 0.000 0.864 234 D N 2.079 122.259 120.400 -0.366 0.000 2.462 234 D HA 0.221 4.863 4.640 0.005 0.000 0.245 234 D C -0.127 176.036 176.300 -0.229 0.000 1.122 234 D CA -0.531 53.360 54.000 -0.182 0.000 0.864 234 D CB 0.230 40.971 40.800 -0.099 0.000 1.098 234 D HN 0.107 nan 8.370 nan 0.000 0.541 235 F N 1.386 121.346 119.950 0.016 0.000 2.710 235 F HA 0.114 4.642 4.527 0.002 0.000 0.298 235 F C 2.126 177.952 175.800 0.044 0.000 1.137 235 F CA 0.239 58.258 58.000 0.032 0.000 1.444 235 F CB 0.181 39.205 39.000 0.040 0.000 1.111 235 F HN 0.419 nan 8.300 nan 0.000 0.580 236 E N 0.321 120.626 120.200 0.175 0.000 2.463 236 E HA -0.045 4.308 4.350 0.005 0.000 0.191 236 E C 1.439 178.092 176.600 0.089 0.000 1.083 236 E CA 0.260 56.735 56.400 0.126 0.000 0.872 236 E CB 0.098 29.858 29.700 0.099 0.000 0.966 236 E HN 0.094 nan 8.360 nan 0.000 0.491 237 K N -0.277 120.158 120.400 0.060 0.000 2.373 237 K HA 0.149 4.472 4.320 0.005 0.000 0.200 237 K C 1.438 178.069 176.600 0.052 0.000 1.054 237 K CA -0.062 56.242 56.287 0.029 0.000 1.065 237 K CB 0.488 32.965 32.500 -0.039 0.000 0.886 237 K HN 0.236 nan 8.250 nan 0.000 0.546 238 L N 0.700 121.990 121.223 0.113 0.000 2.549 238 L HA -0.106 4.237 4.340 0.005 0.000 0.229 238 L C 1.174 178.344 176.870 0.500 0.000 1.158 238 L CA 0.991 55.998 54.840 0.279 0.000 0.842 238 L CB -0.064 42.188 42.059 0.321 0.000 0.952 238 L HN -0.077 nan 8.230 nan 0.000 0.452 239 K N -1.056 119.521 120.400 0.294 0.000 2.367 239 K HA 0.052 4.375 4.320 0.005 0.000 0.194 239 K C 0.122 176.852 176.600 0.216 0.000 1.027 239 K CA 0.024 56.450 56.287 0.230 0.000 1.075 239 K CB 0.022 32.608 32.500 0.144 0.000 0.845 239 K HN -0.032 nan 8.250 nan 0.000 0.529 240 D N 0.655 121.196 120.400 0.234 0.000 2.316 240 D HA 0.102 4.745 4.640 0.005 0.000 0.245 240 D C -1.904 174.578 176.300 0.304 0.000 1.171 240 D CA -2.407 51.711 54.000 0.197 0.000 0.856 240 D CB 1.426 42.298 40.800 0.120 0.000 1.090 240 D HN -0.157 nan 8.370 nan 0.000 0.476 241 P HA -0.042 nan 4.420 nan 0.000 0.216 241 P C 1.378 178.766 177.300 0.146 0.000 1.150 241 P CA 1.017 64.258 63.100 0.235 0.000 0.837 241 P CB 0.175 31.991 31.700 0.193 0.000 0.786 242 G N -0.211 108.645 108.800 0.093 0.000 2.442 242 G HA2 -0.247 3.716 3.960 0.005 0.000 0.219 242 G HA3 -0.247 3.716 3.960 0.005 0.000 0.219 242 G C 1.571 176.421 174.900 -0.082 0.000 1.141 242 G CA 0.840 45.880 45.100 -0.099 0.000 0.763 242 G HN 0.185 nan 8.290 nan 0.000 0.554 243 V N -0.686 119.224 119.914 -0.006 0.000 2.453 243 V HA -0.111 4.012 4.120 0.005 0.000 0.247 243 V C 2.406 178.420 176.094 -0.133 0.000 1.048 243 V CA 1.502 63.761 62.300 -0.068 0.000 1.049 243 V CB -0.623 31.105 31.823 -0.159 0.000 0.672 243 V HN 0.567 nan 8.190 nan 0.000 0.457 244 W N -0.151 121.108 121.300 -0.069 0.000 2.381 244 W HA -0.030 4.633 4.660 0.005 0.000 0.301 244 W C 2.327 178.790 176.519 -0.094 0.000 1.205 244 W CA 0.865 58.171 57.345 -0.066 0.000 1.285 244 W CB -0.430 28.985 29.460 -0.076 0.000 1.133 244 W HN 0.130 nan 8.180 nan 0.000 0.521 245 I N 0.073 120.636 120.570 -0.011 0.000 2.226 245 I HA -0.305 3.868 4.170 0.005 0.000 0.245 245 I C 2.553 178.551 176.117 -0.197 0.000 1.100 245 I CA 1.411 62.532 61.300 -0.298 0.000 1.374 245 I CB -0.976 36.544 38.000 -0.800 0.000 1.057 245 I HN -0.029 nan 8.210 nan 0.000 0.413 246 A N 0.754 123.516 122.820 -0.096 0.000 1.902 246 A HA -0.144 4.178 4.320 0.005 0.000 0.217 246 A C 2.527 180.299 177.584 0.313 0.000 1.181 246 A CA 1.835 53.928 52.037 0.093 0.000 0.623 246 A CB -0.721 18.363 19.000 0.142 0.000 0.818 246 A HN 0.438 nan 8.150 nan 0.000 0.443 247 A N -0.738 122.196 122.820 0.190 0.000 1.930 247 A HA 0.065 4.387 4.320 0.005 0.000 0.217 247 A C 2.190 179.892 177.584 0.197 0.000 1.175 247 A CA 1.682 53.727 52.037 0.012 0.000 0.627 247 A CB -0.723 18.029 19.000 -0.412 0.000 0.815 247 A HN 0.368 nan 8.150 nan 0.000 0.443 248 V N -0.245 119.826 119.914 0.261 0.000 2.453 248 V HA -0.094 4.029 4.120 0.005 0.000 0.247 248 V C 2.776 179.183 176.094 0.522 0.000 1.048 248 V CA 1.673 64.215 62.300 0.404 0.000 1.049 248 V CB -1.248 30.875 31.823 0.499 0.000 0.672 248 V HN 0.590 nan 8.190 nan 0.000 0.457 249 G N -0.631 108.417 108.800 0.413 0.000 2.422 249 G HA2 -0.330 3.633 3.960 0.005 0.000 0.218 249 G HA3 -0.330 3.633 3.960 0.005 0.000 0.218 249 G C 1.529 176.734 174.900 0.508 0.000 1.146 249 G CA 1.093 46.463 45.100 0.450 0.000 0.769 249 G HN 0.497 nan 8.290 nan 0.000 0.547 250 Q N 0.263 120.348 119.800 0.475 0.000 2.083 250 Q HA -0.001 4.342 4.340 0.005 0.000 0.198 250 Q C 2.453 178.770 176.000 0.527 0.000 0.969 250 Q CA 0.828 56.952 55.803 0.536 0.000 0.838 250 Q CB -0.372 28.770 28.738 0.674 0.000 0.900 250 Q HN 0.341 nan 8.270 nan 0.000 0.436 251 I N 0.217 121.021 120.570 0.389 0.000 2.151 251 I HA -0.265 3.908 4.170 0.005 0.000 0.243 251 I C 2.001 178.261 176.117 0.238 0.000 1.080 251 I CA 1.430 62.841 61.300 0.186 0.000 1.339 251 I CB -1.175 36.824 38.000 -0.003 0.000 1.039 251 I HN 0.212 nan 8.210 nan 0.000 0.409 252 F N 0.243 120.356 119.950 0.272 0.000 2.046 252 F HA -0.292 4.238 4.527 0.004 0.000 0.297 252 F C 2.557 178.612 175.800 0.426 0.000 1.123 252 F CA 1.969 60.147 58.000 0.296 0.000 1.199 252 F CB -0.910 38.253 39.000 0.271 0.000 0.972 252 F HN -0.069 nan 8.300 nan 0.000 0.474 253 F N 0.097 120.393 119.950 0.576 0.000 2.126 253 F HA -0.265 4.264 4.527 0.005 0.000 0.299 253 F C 2.696 178.685 175.800 0.316 0.000 1.096 253 F CA 2.121 60.446 58.000 0.542 0.000 1.255 253 F CB -0.756 38.514 39.000 0.450 0.000 0.997 253 F HN -0.085 nan 8.300 nan 0.000 0.479 254 T N -0.004 114.845 114.554 0.492 0.000 2.812 254 T HA -0.085 4.268 4.350 0.005 0.000 0.264 254 T C 1.769 176.547 174.700 0.132 0.000 1.042 254 T CA 1.312 63.598 62.100 0.310 0.000 1.140 254 T CB -0.329 68.725 68.868 0.310 0.000 0.870 254 T HN 0.231 nan 8.240 nan 0.000 0.445 255 L N 0.981 122.281 121.223 0.128 0.000 2.627 255 L HA 0.232 4.575 4.340 0.005 0.000 0.233 255 L C 1.035 177.918 176.870 0.023 0.000 1.144 255 L CA 0.047 54.924 54.840 0.061 0.000 0.892 255 L CB -0.152 41.932 42.059 0.043 0.000 1.039 255 L HN 0.193 nan 8.230 nan 0.000 0.442 256 S N 0.062 115.751 115.700 -0.019 0.000 3.561 256 S HA -0.160 4.313 4.470 0.005 0.000 0.318 256 S C 0.289 175.040 174.600 0.252 0.000 1.181 256 S CA 0.456 58.569 58.200 -0.145 0.000 0.916 256 S CB -1.761 61.267 63.200 -0.288 0.000 0.966 256 S HN 0.308 nan 8.310 nan 0.000 0.550 257 L N 0.492 121.942 121.223 0.378 0.000 2.312 257 L HA 0.605 4.948 4.340 0.005 0.000 0.281 257 L C 1.448 178.640 176.870 0.537 0.000 1.070 257 L CA 0.439 55.482 54.840 0.338 0.000 0.805 257 L CB 1.019 43.090 42.059 0.019 0.000 1.174 257 L HN 0.392 nan 8.230 nan 0.000 0.434 258 G N 1.936 110.995 108.800 0.432 0.000 2.157 258 G HA2 -0.295 3.668 3.960 0.005 0.000 0.239 258 G HA3 -0.295 3.668 3.960 0.005 0.000 0.239 258 G C 0.264 175.273 174.900 0.183 0.000 0.982 258 G CA -0.050 45.287 45.100 0.394 0.000 0.650 258 G HN 0.559 nan 8.290 nan 0.000 0.527 259 F N 0.741 120.808 119.950 0.195 0.000 2.678 259 F HA 0.426 4.956 4.527 0.004 0.000 0.305 259 F C 2.063 177.867 175.800 0.006 0.000 1.090 259 F CA 0.615 58.635 58.000 0.033 0.000 1.272 259 F CB 0.819 39.771 39.000 -0.080 0.000 1.060 259 F HN 0.605 nan 8.300 nan 0.000 0.576 260 G N 0.738 109.712 108.800 0.290 0.000 2.175 260 G HA2 -0.366 3.597 3.960 0.005 0.000 0.265 260 G HA3 -0.366 3.597 3.960 0.005 0.000 0.265 260 G C 1.164 176.125 174.900 0.101 0.000 0.979 260 G CA 0.578 45.805 45.100 0.211 0.000 0.663 260 G HN 0.539 nan 8.290 nan 0.000 0.533 261 A N -0.466 122.395 122.820 0.068 0.000 2.014 261 A HA 0.533 4.856 4.320 0.005 0.000 0.210 261 A C 2.236 179.728 177.584 -0.154 0.000 1.188 261 A CA 1.290 53.282 52.037 -0.074 0.000 0.731 261 A CB -0.079 18.803 19.000 -0.197 0.000 0.858 261 A HN 0.388 nan 8.150 nan 0.000 0.464 262 I N 0.970 121.473 120.570 -0.113 0.000 2.315 262 I HA -0.195 3.978 4.170 0.005 0.000 0.248 262 I C 2.290 178.323 176.117 -0.139 0.000 1.117 262 I CA 1.085 62.285 61.300 -0.167 0.000 1.404 262 I CB -0.868 37.079 38.000 -0.088 0.000 1.071 262 I HN 0.266 nan 8.210 nan 0.000 0.419 263 I N 0.757 121.305 120.570 -0.036 0.000 2.099 263 I HA -0.289 3.883 4.170 0.005 0.000 0.239 263 I C 2.533 178.643 176.117 -0.012 0.000 1.066 263 I CA 1.710 63.000 61.300 -0.017 0.000 1.324 263 I CB -1.688 36.335 38.000 0.039 0.000 1.037 263 I HN 0.206 nan 8.210 nan 0.000 0.401 264 T N 0.398 114.973 114.554 0.036 0.000 2.720 264 T HA -0.208 4.144 4.350 0.005 0.000 0.268 264 T C 1.947 176.769 174.700 0.204 0.000 1.037 264 T CA 1.439 63.582 62.100 0.072 0.000 1.144 264 T CB -0.431 68.523 68.868 0.144 0.000 0.864 264 T HN 0.141 nan 8.240 nan 0.000 0.444 265 Y N 1.495 121.851 120.300 0.094 0.000 2.165 265 Y HA -0.001 4.552 4.550 0.005 0.000 0.286 265 Y C 2.706 178.771 175.900 0.274 0.000 1.155 265 Y CA 0.236 58.527 58.100 0.318 0.000 1.164 265 Y CB -1.099 37.443 38.460 0.137 0.000 0.978 265 Y HN 0.218 nan 8.280 nan 0.000 0.513 266 A N -0.743 122.112 122.820 0.058 0.000 2.121 266 A HA -0.122 4.201 4.320 0.005 0.000 0.218 266 A C 2.311 179.911 177.584 0.026 0.000 1.154 266 A CA 1.494 53.485 52.037 -0.078 0.000 0.679 266 A CB -0.946 17.895 19.000 -0.265 0.000 0.795 266 A HN 0.453 nan 8.150 nan 0.000 0.458 267 S N -1.664 113.967 115.700 -0.116 0.000 2.603 267 S HA -0.047 4.426 4.470 0.005 0.000 0.229 267 S C 1.059 175.389 174.600 -0.450 0.000 0.972 267 S CA 0.669 58.695 58.200 -0.289 0.000 0.935 267 S CB -0.661 62.282 63.200 -0.429 0.000 0.769 267 S HN 0.580 nan 8.310 nan 0.000 0.536 268 Y N 0.939 121.230 120.300 -0.016 0.000 2.458 268 Y HA 0.461 5.014 4.550 0.005 0.000 0.256 268 Y C 0.589 176.571 175.900 0.135 0.000 1.159 268 Y CA -0.862 57.107 58.100 -0.218 0.000 1.261 268 Y CB 0.034 38.038 38.460 -0.758 0.000 1.119 268 Y HN 0.086 nan 8.280 nan 0.000 0.524 269 V N 2.274 122.446 119.914 0.430 0.000 2.530 269 V HA 0.138 4.261 4.120 0.005 0.000 0.282 269 V C 0.609 176.910 176.094 0.345 0.000 1.048 269 V CA -1.036 61.541 62.300 0.462 0.000 0.997 269 V CB 0.674 32.721 31.823 0.374 0.000 0.987 269 V HN 0.224 nan 8.190 nan 0.000 0.477 270 R N 2.997 123.660 120.500 0.271 0.000 2.623 270 R HA 0.048 4.390 4.340 0.005 0.000 0.271 270 R C 1.560 177.920 176.300 0.100 0.000 1.043 270 R CA -0.196 55.958 56.100 0.090 0.000 1.083 270 R CB 0.464 30.708 30.300 -0.093 0.000 0.974 270 R HN 0.674 nan 8.270 nan 0.000 0.436 271 K N 1.672 122.115 120.400 0.071 0.000 2.144 271 K HA -0.250 4.072 4.320 0.005 0.000 0.209 271 K C 0.264 176.908 176.600 0.074 0.000 1.047 271 K CA 2.030 58.360 56.287 0.072 0.000 0.927 271 K CB 0.169 32.694 32.500 0.041 0.000 0.716 271 K HN 0.547 nan 8.250 nan 0.000 0.454 272 D N -0.180 120.251 120.400 0.053 0.000 2.398 272 D HA -0.033 4.610 4.640 0.005 0.000 0.210 272 D C 0.050 176.382 176.300 0.054 0.000 1.094 272 D CA 0.035 54.063 54.000 0.048 0.000 0.839 272 D CB 0.360 41.176 40.800 0.027 0.000 0.963 272 D HN 0.347 nan 8.370 nan 0.000 0.506 273 Q N 1.848 121.693 119.800 0.075 0.000 2.395 273 Q HA -0.024 4.319 4.340 0.005 0.000 0.271 273 Q C 0.148 176.209 176.000 0.102 0.000 1.026 273 Q CA -0.098 55.759 55.803 0.091 0.000 0.900 273 Q CB 0.945 29.760 28.738 0.128 0.000 1.266 273 Q HN 0.095 nan 8.270 nan 0.000 0.430 274 D N 3.123 123.567 120.400 0.073 0.000 2.443 274 D HA -0.043 4.600 4.640 0.005 0.000 0.239 274 D C 0.508 176.854 176.300 0.077 0.000 1.136 274 D CA 0.356 54.380 54.000 0.040 0.000 0.879 274 D CB 0.558 41.358 40.800 0.000 0.000 1.195 274 D HN 0.687 nan 8.370 nan 0.000 0.443 275 I N 0.130 120.712 120.570 0.020 0.000 4.730 275 I HA 0.008 4.181 4.170 0.005 0.000 0.332 275 I C 1.298 177.279 176.117 -0.228 0.000 1.299 275 I CA -0.466 60.820 61.300 -0.023 0.000 1.294 275 I CB 0.233 38.399 38.000 0.277 0.000 1.317 275 I HN 0.165 nan 8.210 nan 0.000 0.457 276 V N 1.774 121.575 119.914 -0.189 0.000 2.270 276 V HA -0.209 3.913 4.120 0.005 0.000 0.245 276 V C 2.488 178.571 176.094 -0.019 0.000 1.043 276 V CA 2.184 64.336 62.300 -0.246 0.000 1.014 276 V CB -0.494 31.073 31.823 -0.427 0.000 0.645 276 V HN 0.461 nan 8.190 nan 0.000 0.447 277 L N -0.078 121.093 121.223 -0.086 0.000 2.072 277 L HA -0.042 4.300 4.340 0.005 0.000 0.205 277 L C 2.509 179.305 176.870 -0.124 0.000 1.079 277 L CA 1.894 56.703 54.840 -0.052 0.000 0.752 277 L CB -0.610 41.423 42.059 -0.043 0.000 0.906 277 L HN 0.248 nan 8.230 nan 0.000 0.436 278 S N -0.119 115.452 115.700 -0.215 0.000 2.370 278 S HA -0.135 4.337 4.470 0.005 0.000 0.226 278 S C 1.884 176.098 174.600 -0.644 0.000 1.033 278 S CA 1.205 59.217 58.200 -0.313 0.000 1.011 278 S CB -1.021 62.037 63.200 -0.236 0.000 0.852 278 S HN 0.695 nan 8.310 nan 0.000 0.457 279 G N 1.700 109.855 108.800 -1.075 0.000 2.433 279 G HA2 -0.164 3.798 3.960 0.005 0.000 0.216 279 G HA3 -0.164 3.798 3.960 0.005 0.000 0.216 279 G C 1.392 175.968 174.900 -0.540 0.000 1.186 279 G CA 0.928 45.257 45.100 -1.285 0.000 0.779 279 G HN 0.415 nan 8.290 nan 0.000 0.543 280 L N 1.112 122.157 121.223 -0.296 0.000 2.042 280 L HA -0.045 4.298 4.340 0.005 0.000 0.210 280 L C 2.878 179.681 176.870 -0.113 0.000 1.076 280 L CA 2.682 57.397 54.840 -0.209 0.000 0.749 280 L CB -1.007 41.067 42.059 0.026 0.000 0.893 280 L HN 0.213 nan 8.230 nan 0.000 0.432 281 T N -0.207 114.293 114.554 -0.091 0.000 2.777 281 T HA -0.117 4.236 4.350 0.005 0.000 0.266 281 T C 1.913 176.608 174.700 -0.009 0.000 1.040 281 T CA 1.298 63.376 62.100 -0.037 0.000 1.141 281 T CB -0.563 68.288 68.868 -0.028 0.000 0.868 281 T HN 0.520 nan 8.240 nan 0.000 0.444 282 A N 1.386 124.205 122.820 -0.002 0.000 1.933 282 A HA 0.166 4.489 4.320 0.005 0.000 0.218 282 A C 2.600 180.226 177.584 0.069 0.000 1.175 282 A CA 1.792 53.880 52.037 0.085 0.000 0.628 282 A CB -0.985 18.153 19.000 0.230 0.000 0.814 282 A HN 0.509 nan 8.150 nan 0.000 0.444 283 A N -0.300 122.536 122.820 0.027 0.000 1.897 283 A HA -0.041 4.282 4.320 0.005 0.000 0.215 283 A C 2.424 180.063 177.584 0.091 0.000 1.181 283 A CA 2.300 54.377 52.037 0.067 0.000 0.620 283 A CB -1.291 17.711 19.000 0.002 0.000 0.821 283 A HN 0.697 nan 8.150 nan 0.000 0.443 284 T N -1.165 113.427 114.554 0.064 0.000 2.821 284 T HA -0.059 4.293 4.350 0.005 0.000 0.267 284 T C 1.862 176.537 174.700 -0.042 0.000 1.046 284 T CA 1.306 63.414 62.100 0.013 0.000 1.139 284 T CB -0.607 68.275 68.868 0.023 0.000 0.871 284 T HN 0.263 nan 8.240 nan 0.000 0.454 285 L N 1.565 122.780 121.223 -0.012 0.000 2.012 285 L HA -0.143 4.200 4.340 0.005 0.000 0.210 285 L C 2.917 179.786 176.870 -0.001 0.000 1.073 285 L CA 2.015 56.847 54.840 -0.014 0.000 0.748 285 L CB -0.805 41.293 42.059 0.065 0.000 0.891 285 L HN 0.373 nan 8.230 nan 0.000 0.431 286 N N -0.328 118.387 118.700 0.025 0.000 2.104 286 N HA -0.223 4.520 4.740 0.005 0.000 0.190 286 N C 1.795 177.258 175.510 -0.080 0.000 1.024 286 N CA 1.230 54.286 53.050 0.010 0.000 0.853 286 N CB 0.091 38.595 38.487 0.027 0.000 1.008 286 N HN 0.160 nan 8.380 nan 0.000 0.424 287 E N 0.332 120.447 120.200 -0.142 0.000 2.153 287 E HA -0.133 4.220 4.350 0.005 0.000 0.194 287 E C 1.694 178.172 176.600 -0.204 0.000 0.988 287 E CA 0.801 57.052 56.400 -0.249 0.000 0.811 287 E CB -0.089 29.309 29.700 -0.502 0.000 0.746 287 E HN 0.393 nan 8.360 nan 0.000 0.466 288 K N 0.590 120.893 120.400 -0.162 0.000 2.062 288 K HA 0.053 4.375 4.320 0.005 0.000 0.205 288 K C 2.051 178.568 176.600 -0.139 0.000 1.051 288 K CA 1.061 57.261 56.287 -0.145 0.000 0.941 288 K CB -0.580 31.826 32.500 -0.157 0.000 0.719 288 K HN 0.091 nan 8.250 nan 0.000 0.440 289 A N 1.255 124.004 122.820 -0.119 0.000 2.019 289 A HA -0.206 4.117 4.320 0.005 0.000 0.219 289 A C 2.191 179.619 177.584 -0.261 0.000 1.164 289 A CA 1.914 53.909 52.037 -0.069 0.000 0.644 289 A CB -0.295 18.778 19.000 0.121 0.000 0.805 289 A HN 0.477 nan 8.150 nan 0.000 0.449 290 E N -0.200 119.815 120.200 -0.310 0.000 2.024 290 E HA -0.093 4.260 4.350 0.005 0.000 0.190 290 E C 1.944 178.163 176.600 -0.635 0.000 0.974 290 E CA 1.563 57.650 56.400 -0.522 0.000 0.810 290 E CB -0.140 29.258 29.700 -0.503 0.000 0.775 290 E HN 0.439 nan 8.360 nan 0.000 0.453 291 V N -0.907 118.726 119.914 -0.469 0.000 2.591 291 V HA -0.004 4.118 4.120 0.005 0.000 0.249 291 V C 2.074 178.251 176.094 0.137 0.000 1.053 291 V CA 1.138 63.295 62.300 -0.239 0.000 1.068 291 V CB -0.394 31.457 31.823 0.047 0.000 0.689 291 V HN 0.272 nan 8.190 nan 0.000 0.462 292 I N -0.576 120.022 120.570 0.048 0.000 2.556 292 I HA 0.048 4.221 4.170 0.005 0.000 0.251 292 I C 2.398 178.573 176.117 0.097 0.000 1.105 292 I CA 0.993 62.351 61.300 0.097 0.000 1.436 292 I CB -0.042 37.964 38.000 0.008 0.000 1.139 292 I HN 0.227 nan 8.210 nan 0.000 0.438 293 L N 0.249 121.499 121.223 0.045 0.000 2.116 293 L HA 0.109 4.452 4.340 0.005 0.000 0.200 293 L C 2.713 179.691 176.870 0.180 0.000 1.084 293 L CA 1.349 56.268 54.840 0.133 0.000 0.766 293 L CB -1.269 40.920 42.059 0.217 0.000 0.930 293 L HN 0.227 nan 8.230 nan 0.000 0.453 294 G N 0.008 108.772 108.800 -0.061 0.000 2.440 294 G HA2 -0.224 3.739 3.960 0.005 0.000 0.218 294 G HA3 -0.224 3.739 3.960 0.005 0.000 0.218 294 G C 1.539 176.562 174.900 0.205 0.000 1.154 294 G CA 0.868 45.938 45.100 -0.049 0.000 0.767 294 G HN 0.501 nan 8.290 nan 0.000 0.552 295 G N -0.073 108.853 108.800 0.210 0.000 2.448 295 G HA2 0.016 3.979 3.960 0.005 0.000 0.218 295 G HA3 0.016 3.979 3.960 0.005 0.000 0.218 295 G C 1.832 176.898 174.900 0.277 0.000 1.135 295 G CA 1.159 46.456 45.100 0.329 0.000 0.784 295 G HN 0.422 nan 8.290 nan 0.000 0.543 296 S N -0.137 115.734 115.700 0.285 0.000 2.575 296 S HA 0.270 4.743 4.470 0.005 0.000 0.215 296 S C 1.795 176.557 174.600 0.271 0.000 0.966 296 S CA -0.180 58.231 58.200 0.351 0.000 0.911 296 S CB 0.124 63.534 63.200 0.350 0.000 0.780 296 S HN 0.366 nan 8.310 nan 0.000 0.514 297 I N 0.138 120.824 120.570 0.192 0.000 3.025 297 I HA -0.001 4.172 4.170 0.005 0.000 0.236 297 I C 2.276 178.372 176.117 -0.034 0.000 1.063 297 I CA 0.443 61.796 61.300 0.089 0.000 1.476 297 I CB -0.600 37.477 38.000 0.129 0.000 1.331 297 I HN 0.114 nan 8.210 nan 0.000 0.457 298 S N 1.249 116.902 115.700 -0.077 0.000 2.348 298 S HA -0.101 4.372 4.470 0.005 0.000 0.221 298 S C 2.017 176.563 174.600 -0.091 0.000 1.033 298 S CA 1.223 59.313 58.200 -0.182 0.000 1.010 298 S CB -0.184 62.951 63.200 -0.107 0.000 0.891 298 S HN 0.211 nan 8.310 nan 0.000 0.442 299 I N 2.016 122.584 120.570 -0.004 0.000 2.113 299 I HA -0.073 4.100 4.170 0.005 0.000 0.238 299 I C -0.839 175.306 176.117 0.048 0.000 1.070 299 I CA 1.285 62.601 61.300 0.025 0.000 1.332 299 I CB -2.739 35.305 38.000 0.074 0.000 1.044 299 I HN 0.168 nan 8.210 nan 0.000 0.402 300 P HA -0.119 nan 4.420 nan 0.000 0.216 300 P C 1.651 178.997 177.300 0.077 0.000 1.150 300 P CA 1.992 65.153 63.100 0.102 0.000 0.837 300 P CB -0.017 31.789 31.700 0.177 0.000 0.786 301 A N -0.029 122.814 122.820 0.038 0.000 1.873 301 A HA -0.088 4.235 4.320 0.005 0.000 0.215 301 A C 2.336 179.910 177.584 -0.016 0.000 1.186 301 A CA 2.087 54.117 52.037 -0.012 0.000 0.616 301 A CB -1.594 17.312 19.000 -0.157 0.000 0.823 301 A HN 0.193 nan 8.150 nan 0.000 0.442 302 A N -0.624 122.185 122.820 -0.019 0.000 1.902 302 A HA 0.008 4.330 4.320 0.005 0.000 0.217 302 A C 2.198 179.887 177.584 0.175 0.000 1.181 302 A CA 1.789 53.890 52.037 0.107 0.000 0.623 302 A CB -0.889 18.137 19.000 0.044 0.000 0.818 302 A HN 0.403 nan 8.150 nan 0.000 0.443 303 V N -0.222 119.733 119.914 0.069 0.000 2.515 303 V HA -0.182 3.941 4.120 0.005 0.000 0.250 303 V C 2.968 179.085 176.094 0.038 0.000 1.058 303 V CA 1.669 63.987 62.300 0.030 0.000 1.064 303 V CB -1.057 30.750 31.823 -0.026 0.000 0.675 303 V HN 0.603 nan 8.190 nan 0.000 0.461 304 A N -0.828 122.034 122.820 0.068 0.000 1.969 304 A HA -0.124 4.198 4.320 0.005 0.000 0.218 304 A C 1.961 179.533 177.584 -0.020 0.000 1.169 304 A CA 1.615 53.682 52.037 0.049 0.000 0.635 304 A CB -0.500 18.575 19.000 0.125 0.000 0.810 304 A HN 0.479 nan 8.150 nan 0.000 0.445 305 F N -2.646 117.142 119.950 -0.270 0.000 2.530 305 F HA 0.240 4.770 4.527 0.005 0.000 0.292 305 F C 1.267 176.667 175.800 -0.668 0.000 1.109 305 F CA 0.610 58.282 58.000 -0.547 0.000 1.450 305 F CB 0.147 38.640 39.000 -0.845 0.000 1.114 305 F HN 0.213 nan 8.300 nan 0.000 0.560 306 F N -0.725 119.276 119.950 0.085 0.000 2.784 306 F HA 0.507 5.036 4.527 0.004 0.000 0.323 306 F C 1.105 176.881 175.800 -0.040 0.000 1.085 306 F CA 0.124 58.131 58.000 0.011 0.000 1.196 306 F CB -0.075 38.921 39.000 -0.006 0.000 1.053 306 F HN -0.093 nan 8.300 nan 0.000 0.578 307 G N 0.505 109.356 108.800 0.085 0.000 2.712 307 G HA2 -0.148 3.815 3.960 0.005 0.000 0.686 307 G HA3 -0.148 3.815 3.960 0.005 0.000 0.686 307 G C 0.466 175.333 174.900 -0.056 0.000 1.321 307 G CA -0.601 44.500 45.100 0.001 0.000 0.813 307 G HN -0.056 nan 8.290 nan 0.000 0.599 308 V N 1.372 121.204 119.914 -0.136 0.000 2.255 308 V HA -0.142 3.981 4.120 0.005 0.000 0.247 308 V C 3.446 179.350 176.094 -0.317 0.000 1.051 308 V CA 3.628 65.740 62.300 -0.312 0.000 1.018 308 V CB -1.376 30.242 31.823 -0.341 0.000 0.641 308 V HN 1.875 nan 8.190 nan 0.000 0.445 309 A N 0.119 122.825 122.820 -0.191 0.000 1.940 309 A HA -0.243 4.080 4.320 0.005 0.000 0.219 309 A C 2.065 179.570 177.584 -0.132 0.000 1.176 309 A CA 2.121 54.069 52.037 -0.149 0.000 0.631 309 A CB -0.674 18.273 19.000 -0.088 0.000 0.814 309 A HN 0.597 nan 8.150 nan 0.000 0.446 310 N N 0.179 118.822 118.700 -0.096 0.000 2.216 310 N HA -0.043 4.700 4.740 0.005 0.000 0.183 310 N C 1.884 177.303 175.510 -0.152 0.000 1.017 310 N CA 1.377 54.367 53.050 -0.100 0.000 0.861 310 N CB -0.500 37.972 38.487 -0.026 0.000 0.986 310 N HN 0.466 nan 8.380 nan 0.000 0.428 311 A N 0.736 123.476 122.820 -0.134 0.000 1.877 311 A HA -0.075 4.248 4.320 0.005 0.000 0.216 311 A C 2.471 179.945 177.584 -0.183 0.000 1.186 311 A CA 1.289 53.238 52.037 -0.147 0.000 0.620 311 A CB -0.861 18.051 19.000 -0.146 0.000 0.822 311 A HN 0.081 nan 8.150 nan 0.000 0.443 312 V N 0.029 119.804 119.914 -0.232 0.000 2.324 312 V HA -0.304 3.819 4.120 0.005 0.000 0.250 312 V C 3.025 179.040 176.094 -0.132 0.000 1.060 312 V CA 2.084 64.275 62.300 -0.181 0.000 1.042 312 V CB -1.272 30.438 31.823 -0.189 0.000 0.650 312 V HN 0.629 nan 8.190 nan 0.000 0.450 313 A N -0.313 122.427 122.820 -0.133 0.000 1.898 313 A HA -0.139 4.183 4.320 0.005 0.000 0.216 313 A C 2.177 179.689 177.584 -0.120 0.000 1.181 313 A CA 1.760 53.729 52.037 -0.113 0.000 0.620 313 A CB -0.485 18.450 19.000 -0.109 0.000 0.819 313 A HN 0.505 nan 8.150 nan 0.000 0.442 314 I N -0.186 120.292 120.570 -0.154 0.000 2.179 314 I HA -0.294 3.879 4.170 0.005 0.000 0.242 314 I C 3.003 179.055 176.117 -0.109 0.000 1.088 314 I CA 1.119 62.327 61.300 -0.155 0.000 1.357 314 I CB -0.349 37.521 38.000 -0.218 0.000 1.051 314 I HN 0.352 nan 8.210 nan 0.000 0.409 315 A N 0.753 123.505 122.820 -0.113 0.000 1.908 315 A HA -0.253 4.070 4.320 0.005 0.000 0.218 315 A C 2.280 179.804 177.584 -0.101 0.000 1.181 315 A CA 1.800 53.774 52.037 -0.106 0.000 0.627 315 A CB -0.536 18.391 19.000 -0.123 0.000 0.818 315 A HN 0.353 nan 8.150 nan 0.000 0.445 316 K N -0.327 120.015 120.400 -0.096 0.000 2.280 316 K HA -0.005 4.318 4.320 0.005 0.000 0.202 316 K C 2.166 178.728 176.600 -0.063 0.000 1.047 316 K CA 0.798 57.036 56.287 -0.082 0.000 0.942 316 K CB -0.293 32.164 32.500 -0.072 0.000 0.739 316 K HN 0.474 nan 8.250 nan 0.000 0.457 317 A N 1.450 124.236 122.820 -0.056 0.000 1.933 317 A HA -0.002 4.321 4.320 0.005 0.000 0.218 317 A C 1.130 178.709 177.584 -0.008 0.000 1.175 317 A CA 1.688 53.708 52.037 -0.029 0.000 0.628 317 A CB -0.185 18.799 19.000 -0.026 0.000 0.814 317 A HN 0.414 nan 8.150 nan 0.000 0.444 318 G N -4.650 104.138 108.800 -0.020 0.000 2.441 318 G HA2 0.524 4.487 3.960 0.005 0.000 0.294 318 G HA3 0.524 4.487 3.960 0.005 0.000 0.294 318 G C 0.351 175.196 174.900 -0.092 0.000 1.393 318 G CA -0.041 45.046 45.100 -0.021 0.000 0.796 318 G HN 0.741 nan 8.290 nan 0.000 0.494 319 A N -1.036 121.649 122.820 -0.226 0.000 1.975 319 A HA 0.427 4.750 4.320 0.005 0.000 0.215 319 A C 1.563 178.917 177.584 -0.383 0.000 1.170 319 A CA 1.427 53.200 52.037 -0.439 0.000 0.656 319 A CB -0.304 18.230 19.000 -0.777 0.000 0.821 319 A HN 0.549 nan 8.150 nan 0.000 0.449 320 F N -0.599 119.460 119.950 0.181 0.000 2.717 320 F HA 0.139 4.669 4.527 0.005 0.000 0.295 320 F C 1.917 177.921 175.800 0.340 0.000 1.117 320 F CA 0.013 58.209 58.000 0.326 0.000 1.361 320 F CB -0.347 38.796 39.000 0.238 0.000 1.112 320 F HN 0.187 nan 8.300 nan 0.000 0.594 321 N N 1.607 120.507 118.700 0.333 0.000 2.036 321 N HA -0.208 4.535 4.740 0.005 0.000 0.195 321 N C 1.967 177.586 175.510 0.181 0.000 1.037 321 N CA 1.573 54.765 53.050 0.237 0.000 0.855 321 N CB -0.423 38.137 38.487 0.121 0.000 1.033 321 N HN 0.296 nan 8.380 nan 0.000 0.423 322 L N 0.437 121.729 121.223 0.115 0.000 2.017 322 L HA 0.049 4.392 4.340 0.005 0.000 0.208 322 L C 2.169 179.059 176.870 0.034 0.000 1.073 322 L CA 2.260 57.117 54.840 0.029 0.000 0.745 322 L CB -1.112 40.940 42.059 -0.011 0.000 0.894 322 L HN 0.268 nan 8.230 nan 0.000 0.432 323 G N -2.402 106.511 108.800 0.189 0.000 2.539 323 G HA2 -0.130 3.832 3.960 0.005 0.000 0.215 323 G HA3 -0.130 3.832 3.960 0.005 0.000 0.215 323 G C 1.160 176.176 174.900 0.193 0.000 1.141 323 G CA 0.344 45.575 45.100 0.219 0.000 0.806 323 G HN 0.411 nan 8.290 nan 0.000 0.533 324 F N -0.439 119.735 119.950 0.373 0.000 2.717 324 F HA 0.453 4.982 4.527 0.005 0.000 0.295 324 F C 1.959 178.044 175.800 0.474 0.000 1.117 324 F CA 0.089 58.347 58.000 0.431 0.000 1.361 324 F CB 0.456 39.568 39.000 0.186 0.000 1.112 324 F HN 0.046 nan 8.300 nan 0.000 0.594 325 I N -2.072 118.763 120.570 0.441 0.000 3.534 325 I HA -0.058 4.115 4.170 0.005 0.000 0.251 325 I C 2.022 178.182 176.117 0.072 0.000 1.136 325 I CA 0.516 62.012 61.300 0.327 0.000 1.475 325 I CB -0.457 37.709 38.000 0.276 0.000 1.526 325 I HN -0.219 nan 8.210 nan 0.000 0.454 326 T N 1.964 116.514 114.554 -0.006 0.000 2.674 326 T HA -0.149 4.204 4.350 0.005 0.000 0.265 326 T C 1.852 176.366 174.700 -0.310 0.000 1.039 326 T CA 1.521 63.548 62.100 -0.121 0.000 1.150 326 T CB -0.288 68.513 68.868 -0.112 0.000 0.864 326 T HN 0.058 nan 8.240 nan 0.000 0.427 327 L N 2.467 123.421 121.223 -0.448 0.000 1.989 327 L HA -0.024 4.319 4.340 0.005 0.000 0.211 327 L C -0.799 175.437 176.870 -1.058 0.000 1.071 327 L CA 2.023 56.317 54.840 -0.911 0.000 0.749 327 L CB -1.336 39.996 42.059 -1.211 0.000 0.890 327 L HN 0.164 nan 8.230 nan 0.000 0.431 328 P HA -0.126 nan 4.420 nan 0.000 0.220 328 P C 1.343 178.227 177.300 -0.692 0.000 1.148 328 P CA 1.845 64.714 63.100 -0.385 0.000 0.803 328 P CB -0.183 31.599 31.700 0.137 0.000 0.782 329 A N -0.031 122.238 122.820 -0.918 0.000 1.898 329 A HA -0.118 4.205 4.320 0.005 0.000 0.216 329 A C 2.330 179.615 177.584 -0.499 0.000 1.181 329 A CA 1.154 52.597 52.037 -0.989 0.000 0.620 329 A CB -1.491 17.208 19.000 -0.502 0.000 0.819 329 A HN 0.091 nan 8.150 nan 0.000 0.442 330 I N -1.253 118.996 120.570 -0.535 0.000 2.179 330 I HA -0.248 3.925 4.170 0.005 0.000 0.242 330 I C 2.213 178.051 176.117 -0.465 0.000 1.088 330 I CA 1.263 62.122 61.300 -0.735 0.000 1.357 330 I CB -0.422 36.974 38.000 -1.006 0.000 1.051 330 I HN 0.254 nan 8.210 nan 0.000 0.409 331 F N 1.369 121.072 119.950 -0.412 0.000 2.161 331 F HA -0.242 4.288 4.527 0.004 0.000 0.300 331 F C 3.014 178.765 175.800 -0.081 0.000 1.089 331 F CA 1.448 59.315 58.000 -0.220 0.000 1.282 331 F CB -1.622 37.286 39.000 -0.155 0.000 1.010 331 F HN 0.204 nan 8.300 nan 0.000 0.485 332 S N -0.718 115.049 115.700 0.112 0.000 2.500 332 S HA -0.157 4.316 4.470 0.005 0.000 0.239 332 S C 1.384 176.069 174.600 0.142 0.000 0.989 332 S CA 0.782 59.081 58.200 0.166 0.000 0.951 332 S CB -0.370 62.962 63.200 0.220 0.000 0.759 332 S HN 0.408 nan 8.310 nan 0.000 0.523 333 Q N 1.659 121.527 119.800 0.113 0.000 2.246 333 Q HA 0.198 4.541 4.340 0.005 0.000 0.202 333 Q C 0.386 176.492 176.000 0.177 0.000 0.883 333 Q CA 0.378 56.277 55.803 0.161 0.000 0.952 333 Q CB 0.630 29.517 28.738 0.248 0.000 1.078 333 Q HN 0.836 nan 8.270 nan 0.000 0.493 334 T N -3.244 111.400 114.554 0.150 0.000 2.893 334 T HA 0.721 5.074 4.350 0.005 0.000 0.291 334 T C -0.207 174.549 174.700 0.093 0.000 1.028 334 T CA -0.827 61.350 62.100 0.129 0.000 0.995 334 T CB 2.148 71.090 68.868 0.124 0.000 1.051 334 T HN 0.089 nan 8.240 nan 0.000 0.470 335 A N 1.163 124.026 122.820 0.072 0.000 2.548 335 A HA 0.528 4.851 4.320 0.005 0.000 0.247 335 A C 1.650 179.273 177.584 0.064 0.000 1.067 335 A CA 0.362 52.435 52.037 0.060 0.000 0.757 335 A CB -1.435 17.591 19.000 0.044 0.000 0.996 335 A HN 2.477 nan 8.150 nan 0.000 0.504 336 G N 1.745 110.592 108.800 0.079 0.000 2.153 336 G HA2 -0.139 3.824 3.960 0.005 0.000 0.252 336 G HA3 -0.139 3.824 3.960 0.005 0.000 0.252 336 G C 1.177 176.169 174.900 0.154 0.000 0.994 336 G CA 0.841 46.009 45.100 0.113 0.000 0.698 336 G HN 1.851 nan 8.290 nan 0.000 0.521 337 G N -0.638 108.240 108.800 0.131 0.000 2.443 337 G HA2 0.023 3.986 3.960 0.005 0.000 0.219 337 G HA3 0.023 3.986 3.960 0.005 0.000 0.219 337 G C 1.600 176.661 174.900 0.269 0.000 1.131 337 G CA 2.193 47.374 45.100 0.135 0.000 0.775 337 G HN 0.603 nan 8.290 nan 0.000 0.547 338 T N 0.550 115.294 114.554 0.317 0.000 2.777 338 T HA -0.084 4.269 4.350 0.005 0.000 0.266 338 T C 1.905 176.919 174.700 0.523 0.000 1.040 338 T CA 0.879 63.247 62.100 0.447 0.000 1.141 338 T CB -0.259 68.772 68.868 0.271 0.000 0.868 338 T HN 0.240 nan 8.240 nan 0.000 0.444 339 F N 1.337 121.439 119.950 0.254 0.000 2.186 339 F HA 0.044 4.573 4.527 0.004 0.000 0.299 339 F C 1.877 177.854 175.800 0.296 0.000 1.090 339 F CA 0.501 58.661 58.000 0.267 0.000 1.307 339 F CB -0.338 38.750 39.000 0.146 0.000 1.019 339 F HN 0.015 nan 8.300 nan 0.000 0.489 340 L N 0.308 121.641 121.223 0.184 0.000 2.093 340 L HA 0.057 4.400 4.340 0.005 0.000 0.208 340 L C 2.492 179.319 176.870 -0.072 0.000 1.085 340 L CA 1.971 56.745 54.840 -0.110 0.000 0.755 340 L CB -1.451 40.309 42.059 -0.499 0.000 0.904 340 L HN 0.181 nan 8.230 nan 0.000 0.435 341 G N -0.986 107.932 108.800 0.197 0.000 2.418 341 G HA2 -0.370 3.593 3.960 0.005 0.000 0.217 341 G HA3 -0.370 3.593 3.960 0.005 0.000 0.217 341 G C 1.573 176.561 174.900 0.146 0.000 1.158 341 G CA 0.912 46.147 45.100 0.225 0.000 0.771 341 G HN 0.484 nan 8.290 nan 0.000 0.545 342 F N 1.428 121.461 119.950 0.139 0.000 2.102 342 F HA -0.010 4.520 4.527 0.005 0.000 0.298 342 F C 2.384 178.166 175.800 -0.031 0.000 1.105 342 F CA 1.301 59.359 58.000 0.096 0.000 1.239 342 F CB -0.339 38.626 39.000 -0.059 0.000 0.991 342 F HN 0.060 nan 8.300 nan 0.000 0.474 343 L N -0.375 120.569 121.223 -0.465 0.000 2.079 343 L HA -0.255 4.088 4.340 0.005 0.000 0.210 343 L C 2.610 179.340 176.870 -0.234 0.000 1.081 343 L CA 1.657 56.208 54.840 -0.483 0.000 0.752 343 L CB -1.124 40.806 42.059 -0.215 0.000 0.896 343 L HN 0.558 nan 8.230 nan 0.000 0.433 344 W N 0.934 122.040 121.300 -0.325 0.000 2.355 344 W HA -0.257 4.407 4.660 0.006 0.000 0.309 344 W C 2.120 178.355 176.519 -0.473 0.000 1.206 344 W CA 1.337 58.445 57.345 -0.394 0.000 1.284 344 W CB -0.338 28.881 29.460 -0.402 0.000 1.145 344 W HN 0.064 nan 8.180 nan 0.000 0.502 345 F N -0.220 119.522 119.950 -0.347 0.000 2.259 345 F HA -0.099 4.431 4.527 0.005 0.000 0.298 345 F C 2.254 177.882 175.800 -0.286 0.000 1.088 345 F CA 1.214 58.967 58.000 -0.413 0.000 1.358 345 F CB -1.574 37.340 39.000 -0.144 0.000 1.040 345 F HN -0.177 nan 8.300 nan 0.000 0.505 346 F N 0.285 120.018 119.950 -0.362 0.000 2.146 346 F HA -0.165 4.364 4.527 0.004 0.000 0.298 346 F C 2.250 177.850 175.800 -0.333 0.000 1.096 346 F CA 1.027 58.783 58.000 -0.407 0.000 1.275 346 F CB -0.573 37.911 39.000 -0.859 0.000 1.008 346 F HN -0.040 nan 8.300 nan 0.000 0.480 347 L N 0.387 121.402 121.223 -0.347 0.000 2.012 347 L HA -0.220 4.123 4.340 0.005 0.000 0.210 347 L C 2.088 178.655 176.870 -0.505 0.000 1.073 347 L CA 1.924 56.495 54.840 -0.448 0.000 0.748 347 L CB -0.986 40.770 42.059 -0.506 0.000 0.891 347 L HN 0.223 nan 8.230 nan 0.000 0.431 348 L N -1.585 119.277 121.223 -0.602 0.000 2.083 348 L HA -0.224 4.119 4.340 0.005 0.000 0.209 348 L C 2.504 179.272 176.870 -0.170 0.000 1.083 348 L CA 1.499 56.053 54.840 -0.475 0.000 0.752 348 L CB -0.790 40.916 42.059 -0.589 0.000 0.899 348 L HN 0.350 nan 8.230 nan 0.000 0.433 349 F N 0.234 120.046 119.950 -0.231 0.000 2.134 349 F HA -0.241 4.288 4.527 0.004 0.000 0.299 349 F C 2.193 178.013 175.800 0.033 0.000 1.097 349 F CA 1.400 59.345 58.000 -0.092 0.000 1.264 349 F CB -0.301 38.645 39.000 -0.090 0.000 1.001 349 F HN -0.108 nan 8.300 nan 0.000 0.479 350 F N 0.499 120.157 119.950 -0.487 0.000 2.259 350 F HA 0.046 4.576 4.527 0.005 0.000 0.298 350 F C 2.555 178.174 175.800 -0.303 0.000 1.088 350 F CA 0.718 58.444 58.000 -0.457 0.000 1.358 350 F CB -1.490 37.258 39.000 -0.420 0.000 1.040 350 F HN 0.074 nan 8.300 nan 0.000 0.505 351 A N -0.008 122.768 122.820 -0.074 0.000 1.902 351 A HA -0.060 4.263 4.320 0.005 0.000 0.217 351 A C 2.609 180.196 177.584 0.005 0.000 1.181 351 A CA 1.833 53.863 52.037 -0.011 0.000 0.623 351 A CB -1.507 17.523 19.000 0.050 0.000 0.818 351 A HN 0.384 nan 8.150 nan 0.000 0.443 352 G N -0.274 108.496 108.800 -0.050 0.000 2.414 352 G HA2 -0.110 3.853 3.960 0.005 0.000 0.215 352 G HA3 -0.110 3.853 3.960 0.005 0.000 0.215 352 G C 1.493 176.374 174.900 -0.031 0.000 1.188 352 G CA 1.147 46.255 45.100 0.013 0.000 0.783 352 G HN 0.462 nan 8.290 nan 0.000 0.537 353 L N 1.789 122.830 121.223 -0.303 0.000 2.012 353 L HA -0.092 4.251 4.340 0.005 0.000 0.210 353 L C 3.149 179.910 176.870 -0.182 0.000 1.073 353 L CA 2.942 57.563 54.840 -0.365 0.000 0.748 353 L CB -1.162 40.460 42.059 -0.727 0.000 0.891 353 L HN 0.394 nan 8.230 nan 0.000 0.431 354 T N -4.646 109.850 114.554 -0.096 0.000 2.929 354 T HA -0.110 4.243 4.350 0.005 0.000 0.271 354 T C 1.878 176.554 174.700 -0.040 0.000 1.085 354 T CA 1.483 63.580 62.100 -0.006 0.000 1.125 354 T CB -0.554 68.287 68.868 -0.045 0.000 0.874 354 T HN 0.335 nan 8.240 nan 0.000 0.494 355 S N 1.550 117.212 115.700 -0.063 0.000 2.421 355 S HA 0.029 4.502 4.470 0.005 0.000 0.224 355 S C 2.416 176.867 174.600 -0.248 0.000 1.035 355 S CA 0.768 58.870 58.200 -0.162 0.000 0.953 355 S CB -0.199 62.924 63.200 -0.128 0.000 0.810 355 S HN 0.834 nan 8.310 nan 0.000 0.497 356 S N 2.511 118.140 115.700 -0.118 0.000 2.461 356 S HA 0.016 4.489 4.470 0.005 0.000 0.228 356 S C 1.880 176.412 174.600 -0.113 0.000 1.005 356 S CA 0.615 58.744 58.200 -0.117 0.000 0.942 356 S CB -0.851 62.380 63.200 0.051 0.000 0.776 356 S HN 0.703 nan 8.310 nan 0.000 0.514 357 I N -0.154 120.358 120.570 -0.097 0.000 2.439 357 I HA 0.143 4.316 4.170 0.005 0.000 0.251 357 I C 2.580 178.705 176.117 0.013 0.000 1.139 357 I CA 0.997 62.265 61.300 -0.052 0.000 1.438 357 I CB -0.873 37.092 38.000 -0.058 0.000 1.085 357 I HN 0.286 nan 8.210 nan 0.000 0.427 358 A N 1.757 124.552 122.820 -0.042 0.000 1.930 358 A HA -0.095 4.228 4.320 0.005 0.000 0.217 358 A C 2.447 179.885 177.584 -0.243 0.000 1.175 358 A CA 1.635 53.546 52.037 -0.210 0.000 0.627 358 A CB -0.804 17.872 19.000 -0.541 0.000 0.815 358 A HN 0.568 nan 8.150 nan 0.000 0.443 359 I N -1.289 119.117 120.570 -0.274 0.000 2.546 359 I HA -0.115 4.058 4.170 0.005 0.000 0.255 359 I C 2.112 178.153 176.117 -0.127 0.000 1.163 359 I CA 0.970 62.108 61.300 -0.270 0.000 1.457 359 I CB 0.020 37.776 38.000 -0.407 0.000 1.092 359 I HN 0.323 nan 8.210 nan 0.000 0.434 360 M N -0.700 118.857 119.600 -0.073 0.000 2.509 360 M HA -0.069 4.413 4.480 0.005 0.000 0.250 360 M C 1.904 178.224 176.300 0.033 0.000 1.132 360 M CA 0.441 55.735 55.300 -0.009 0.000 1.080 360 M CB 0.155 32.755 32.600 -0.000 0.000 1.408 360 M HN 0.134 nan 8.290 nan 0.000 0.484 361 Q N 1.397 121.230 119.800 0.054 0.000 2.119 361 Q HA -0.065 4.278 4.340 0.005 0.000 0.201 361 Q C -1.019 175.057 176.000 0.127 0.000 0.972 361 Q CA 1.862 57.734 55.803 0.116 0.000 0.847 361 Q CB -1.155 27.727 28.738 0.240 0.000 0.903 361 Q HN 0.210 nan 8.270 nan 0.000 0.433 362 P HA -0.162 nan 4.420 nan 0.000 0.216 362 P C 1.125 178.488 177.300 0.105 0.000 1.153 362 P CA 1.446 64.598 63.100 0.087 0.000 0.858 362 P CB -0.135 31.585 31.700 0.035 0.000 0.789 363 M N -1.242 118.411 119.600 0.087 0.000 2.117 363 M HA -0.106 4.377 4.480 0.005 0.000 0.262 363 M C 1.849 178.255 176.300 0.177 0.000 1.065 363 M CA 1.794 57.168 55.300 0.123 0.000 1.114 363 M CB -1.070 31.595 32.600 0.108 0.000 1.361 363 M HN -0.208 nan 8.290 nan 0.000 0.408 364 I N -0.270 120.379 120.570 0.133 0.000 2.179 364 I HA -0.257 3.916 4.170 0.005 0.000 0.242 364 I C 2.419 178.600 176.117 0.106 0.000 1.088 364 I CA 1.284 62.652 61.300 0.112 0.000 1.357 364 I CB -0.787 37.253 38.000 0.066 0.000 1.051 364 I HN 0.373 nan 8.210 nan 0.000 0.409 365 A N 0.529 123.427 122.820 0.130 0.000 1.908 365 A HA -0.270 4.053 4.320 0.005 0.000 0.218 365 A C 2.264 179.902 177.584 0.090 0.000 1.181 365 A CA 1.640 53.750 52.037 0.123 0.000 0.627 365 A CB -1.039 18.051 19.000 0.149 0.000 0.818 365 A HN 0.486 nan 8.150 nan 0.000 0.445 366 F N 0.588 120.537 119.950 -0.001 0.000 2.102 366 F HA -0.133 4.397 4.527 0.005 0.000 0.298 366 F C 1.855 177.634 175.800 -0.035 0.000 1.105 366 F CA 1.818 59.801 58.000 -0.028 0.000 1.239 366 F CB -0.297 38.670 39.000 -0.055 0.000 0.991 366 F HN 0.138 nan 8.300 nan 0.000 0.474 367 L N -0.018 121.174 121.223 -0.052 0.000 2.093 367 L HA -0.167 4.175 4.340 0.005 0.000 0.208 367 L C 2.364 179.127 176.870 -0.178 0.000 1.085 367 L CA 1.503 56.248 54.840 -0.158 0.000 0.755 367 L CB -0.742 41.354 42.059 0.061 0.000 0.904 367 L HN 0.208 nan 8.230 nan 0.000 0.435 368 E N 0.116 120.256 120.200 -0.100 0.000 2.006 368 E HA -0.197 4.156 4.350 0.005 0.000 0.192 368 E C 1.810 178.319 176.600 -0.152 0.000 0.993 368 E CA 1.398 57.742 56.400 -0.094 0.000 0.808 368 E CB -0.053 29.618 29.700 -0.049 0.000 0.764 368 E HN 0.413 nan 8.360 nan 0.000 0.449 369 D N 0.453 120.755 120.400 -0.164 0.000 2.092 369 D HA -0.151 4.492 4.640 0.005 0.000 0.193 369 D C 1.859 178.021 176.300 -0.231 0.000 0.994 369 D CA 1.193 55.079 54.000 -0.190 0.000 0.828 369 D CB -0.088 40.630 40.800 -0.137 0.000 0.963 369 D HN 0.151 nan 8.370 nan 0.000 0.450 370 E N -0.441 119.533 120.200 -0.377 0.000 2.251 370 E HA 0.134 4.487 4.350 0.005 0.000 0.194 370 E C 2.003 178.341 176.600 -0.437 0.000 0.964 370 E CA 0.097 56.240 56.400 -0.428 0.000 0.868 370 E CB 0.344 29.638 29.700 -0.677 0.000 0.828 370 E HN 0.295 nan 8.360 nan 0.000 0.481 371 L N 0.778 121.707 121.223 -0.491 0.000 2.693 371 L HA 0.160 4.503 4.340 0.005 0.000 0.235 371 L C -0.144 176.604 176.870 -0.203 0.000 1.127 371 L CA -0.131 54.509 54.840 -0.333 0.000 0.914 371 L CB 0.222 42.077 42.059 -0.340 0.000 1.193 371 L HN -0.146 nan 8.230 nan 0.000 0.502 372 K N 0.031 120.321 120.400 -0.183 0.000 3.069 372 K HA -0.185 4.138 4.320 0.005 0.000 0.267 372 K C -0.282 176.280 176.600 -0.063 0.000 1.082 372 K CA 0.511 56.729 56.287 -0.114 0.000 0.782 372 K CB -2.198 30.245 32.500 -0.095 0.000 1.230 372 K HN 0.139 nan 8.250 nan 0.000 0.488 373 L N 1.022 122.214 121.223 -0.052 0.000 2.417 373 L HA 0.119 4.462 4.340 0.005 0.000 0.268 373 L C 1.394 178.281 176.870 0.028 0.000 1.158 373 L CA 0.399 55.262 54.840 0.037 0.000 0.819 373 L CB 0.878 42.983 42.059 0.076 0.000 1.112 373 L HN 0.339 nan 8.230 nan 0.000 0.458 374 S N 2.722 118.454 115.700 0.054 0.000 2.596 374 S HA 0.164 4.637 4.470 0.005 0.000 0.260 374 S C 1.254 175.828 174.600 -0.044 0.000 1.336 374 S CA -0.212 57.962 58.200 -0.045 0.000 0.993 374 S CB 0.501 63.610 63.200 -0.152 0.000 0.923 374 S HN 0.646 nan 8.310 nan 0.000 0.567 375 R N 1.056 121.507 120.500 -0.083 0.000 2.073 375 R HA -0.129 4.214 4.340 0.005 0.000 0.234 375 R C 2.375 178.634 176.300 -0.069 0.000 1.134 375 R CA 1.767 57.821 56.100 -0.076 0.000 0.952 375 R CB -0.469 29.765 30.300 -0.110 0.000 0.850 375 R HN 0.848 nan 8.270 nan 0.000 0.433 376 K N -0.277 120.046 120.400 -0.128 0.000 2.015 376 K HA -0.260 4.063 4.320 0.005 0.000 0.216 376 K C 1.882 178.465 176.600 -0.029 0.000 1.052 376 K CA 2.367 58.573 56.287 -0.136 0.000 0.937 376 K CB -0.331 32.023 32.500 -0.244 0.000 0.719 376 K HN 0.498 nan 8.250 nan 0.000 0.446 377 H N -0.781 118.317 119.070 0.047 0.000 2.387 377 H HA -0.068 4.491 4.556 0.005 0.000 0.299 377 H C 2.084 177.549 175.328 0.229 0.000 1.090 377 H CA 0.794 56.928 56.048 0.145 0.000 1.332 377 H CB 0.001 29.891 29.762 0.213 0.000 1.386 377 H HN 0.437 nan 8.280 nan 0.000 0.516 378 A N 0.619 123.594 122.820 0.260 0.000 1.902 378 A HA -0.137 4.186 4.320 0.005 0.000 0.217 378 A C 2.576 180.268 177.584 0.181 0.000 1.181 378 A CA 1.525 53.689 52.037 0.211 0.000 0.623 378 A CB -0.758 18.307 19.000 0.108 0.000 0.818 378 A HN 0.216 nan 8.150 nan 0.000 0.443 379 V N 0.060 120.031 119.914 0.095 0.000 2.307 379 V HA -0.230 3.893 4.120 0.005 0.000 0.245 379 V C 2.569 178.693 176.094 0.050 0.000 1.045 379 V CA 1.898 64.225 62.300 0.044 0.000 1.024 379 V CB -0.702 31.104 31.823 -0.028 0.000 0.651 379 V HN 0.562 nan 8.190 nan 0.000 0.449 380 L N -1.934 119.307 121.223 0.031 0.000 2.056 380 L HA -0.180 4.163 4.340 0.005 0.000 0.207 380 L C 2.397 179.236 176.870 -0.052 0.000 1.078 380 L CA 1.911 56.716 54.840 -0.058 0.000 0.749 380 L CB -0.489 41.487 42.059 -0.138 0.000 0.901 380 L HN 0.387 nan 8.230 nan 0.000 0.433 381 W N 0.026 121.379 121.300 0.089 0.000 2.388 381 W HA -0.154 4.509 4.660 0.005 0.000 0.294 381 W C 2.701 179.295 176.519 0.126 0.000 1.212 381 W CA 1.241 58.649 57.345 0.104 0.000 1.271 381 W CB -0.433 29.093 29.460 0.109 0.000 1.126 381 W HN 0.006 nan 8.180 nan 0.000 0.535 382 T N 0.098 114.854 114.554 0.337 0.000 2.708 382 T HA -0.217 4.136 4.350 0.005 0.000 0.266 382 T C 1.958 176.783 174.700 0.207 0.000 1.037 382 T CA 1.819 64.069 62.100 0.251 0.000 1.146 382 T CB -0.779 68.196 68.868 0.178 0.000 0.865 382 T HN 0.184 nan 8.240 nan 0.000 0.435 383 A N 1.400 124.305 122.820 0.141 0.000 1.933 383 A HA 0.127 4.450 4.320 0.005 0.000 0.218 383 A C 2.630 180.328 177.584 0.191 0.000 1.175 383 A CA 1.872 53.975 52.037 0.110 0.000 0.628 383 A CB -1.073 17.933 19.000 0.011 0.000 0.814 383 A HN 0.511 nan 8.150 nan 0.000 0.444 384 A N 0.082 123.012 122.820 0.182 0.000 1.902 384 A HA -0.069 4.253 4.320 0.005 0.000 0.217 384 A C 1.972 179.788 177.584 0.387 0.000 1.181 384 A CA 1.680 53.868 52.037 0.251 0.000 0.623 384 A CB -0.467 18.601 19.000 0.114 0.000 0.818 384 A HN 0.429 nan 8.150 nan 0.000 0.443 385 I N -0.209 120.581 120.570 0.366 0.000 2.252 385 I HA -0.133 4.040 4.170 0.005 0.000 0.245 385 I C 2.480 178.833 176.117 0.393 0.000 1.102 385 I CA 1.015 62.540 61.300 0.375 0.000 1.385 385 I CB -1.561 36.632 38.000 0.321 0.000 1.064 385 I HN 0.124 nan 8.210 nan 0.000 0.414 386 V N 0.960 121.075 119.914 0.334 0.000 2.358 386 V HA -0.279 3.844 4.120 0.005 0.000 0.246 386 V C 2.406 178.738 176.094 0.396 0.000 1.047 386 V CA 1.722 64.210 62.300 0.313 0.000 1.035 386 V CB -0.781 31.189 31.823 0.245 0.000 0.658 386 V HN 0.273 nan 8.190 nan 0.000 0.452 387 F N 0.775 120.897 119.950 0.286 0.000 2.051 387 F HA -0.216 4.314 4.527 0.005 0.000 0.296 387 F C 2.181 178.262 175.800 0.469 0.000 1.122 387 F CA 1.922 60.135 58.000 0.355 0.000 1.201 387 F CB -0.722 38.406 39.000 0.212 0.000 0.978 387 F HN 0.204 nan 8.300 nan 0.000 0.472 388 F N 0.966 121.039 119.950 0.206 0.000 2.091 388 F HA -0.233 4.297 4.527 0.005 0.000 0.299 388 F C 2.390 178.237 175.800 0.079 0.000 1.103 388 F CA 2.275 60.301 58.000 0.044 0.000 1.228 388 F CB -1.083 37.976 39.000 0.097 0.000 0.984 388 F HN -0.032 nan 8.300 nan 0.000 0.477 389 S N 0.424 116.120 115.700 -0.007 0.000 2.423 389 S HA -0.069 4.404 4.470 0.005 0.000 0.231 389 S C 2.181 176.675 174.600 -0.176 0.000 1.014 389 S CA 0.786 58.906 58.200 -0.134 0.000 0.965 389 S CB -0.716 62.677 63.200 0.321 0.000 0.785 389 S HN 0.577 nan 8.310 nan 0.000 0.495 390 A N 0.880 123.647 122.820 -0.089 0.000 2.066 390 A HA -0.073 4.249 4.320 0.005 0.000 0.218 390 A C 1.553 178.873 177.584 -0.439 0.000 1.157 390 A CA 1.105 53.003 52.037 -0.233 0.000 0.670 390 A CB -0.695 18.172 19.000 -0.221 0.000 0.804 390 A HN 0.506 nan 8.150 nan 0.000 0.453 391 H N -1.133 117.682 119.070 -0.424 0.000 2.489 391 H HA -0.087 4.472 4.556 0.005 0.000 0.295 391 H C 1.779 177.011 175.328 -0.161 0.000 1.082 391 H CA 1.435 57.336 56.048 -0.246 0.000 1.295 391 H CB -0.090 29.513 29.762 -0.265 0.000 1.380 391 H HN 0.420 nan 8.280 nan 0.000 0.548 392 L N -0.269 120.837 121.223 -0.195 0.000 2.027 392 L HA -0.099 4.244 4.340 0.005 0.000 0.206 392 L C 2.112 178.923 176.870 -0.098 0.000 1.074 392 L CA 1.183 55.930 54.840 -0.155 0.000 0.745 392 L CB -0.520 41.392 42.059 -0.245 0.000 0.898 392 L HN 0.106 nan 8.230 nan 0.000 0.433 393 V N -0.597 119.230 119.914 -0.145 0.000 2.548 393 V HA -0.259 3.863 4.120 0.005 0.000 0.249 393 V C 2.478 178.442 176.094 -0.217 0.000 1.055 393 V CA 1.786 64.022 62.300 -0.108 0.000 1.065 393 V CB -0.365 31.439 31.823 -0.031 0.000 0.681 393 V HN 0.428 nan 8.190 nan 0.000 0.462 394 M N -1.708 117.581 119.600 -0.518 0.000 2.254 394 M HA -0.029 4.454 4.480 0.005 0.000 0.265 394 M C 1.613 177.526 176.300 -0.646 0.000 1.066 394 M CA 1.962 56.781 55.300 -0.801 0.000 1.123 394 M CB -0.098 31.773 32.600 -1.215 0.000 1.388 394 M HN 0.337 nan 8.290 nan 0.000 0.425 395 F N -1.179 118.662 119.950 -0.182 0.000 2.724 395 F HA 0.263 4.793 4.527 0.005 0.000 0.306 395 F C 0.241 175.986 175.800 -0.092 0.000 1.100 395 F CA -0.395 57.535 58.000 -0.117 0.000 1.255 395 F CB 0.567 39.506 39.000 -0.102 0.000 1.072 395 F HN -0.083 nan 8.300 nan 0.000 0.589 396 L N 1.229 122.479 121.223 0.045 0.000 2.294 396 L HA 0.430 4.773 4.340 0.005 0.000 0.283 396 L C -0.233 176.616 176.870 -0.033 0.000 1.015 396 L CA -0.675 54.166 54.840 0.002 0.000 0.831 396 L CB 0.391 42.448 42.059 -0.002 0.000 1.217 396 L HN -0.099 nan 8.230 nan 0.000 0.420 397 N N 4.614 123.277 118.700 -0.061 0.000 2.447 397 N HA 0.091 4.834 4.740 0.005 0.000 0.263 397 N C 0.209 175.675 175.510 -0.072 0.000 1.226 397 N CA 0.596 53.599 53.050 -0.078 0.000 0.906 397 N CB 0.365 38.784 38.487 -0.114 0.000 1.060 397 N HN 0.485 nan 8.380 nan 0.000 0.468 398 K N 0.274 120.650 120.400 -0.040 0.000 3.548 398 K HA -0.198 4.125 4.320 0.005 0.000 0.296 398 K C 1.214 177.809 176.600 -0.010 0.000 1.324 398 K CA 1.101 57.371 56.287 -0.028 0.000 0.976 398 K CB -2.134 30.331 32.500 -0.058 0.000 1.294 398 K HN 0.511 nan 8.250 nan 0.000 0.464 399 S N 0.858 116.559 115.700 0.001 0.000 2.359 399 S HA -0.029 4.444 4.470 0.005 0.000 0.224 399 S C 1.831 176.449 174.600 0.029 0.000 1.035 399 S CA 1.547 59.764 58.200 0.029 0.000 1.018 399 S CB -0.097 63.119 63.200 0.028 0.000 0.876 399 S HN 0.431 nan 8.310 nan 0.000 0.448 400 L N 1.168 122.402 121.223 0.018 0.000 2.021 400 L HA -0.232 4.111 4.340 0.005 0.000 0.215 400 L C 1.800 178.562 176.870 -0.180 0.000 1.074 400 L CA 2.589 57.400 54.840 -0.049 0.000 0.760 400 L CB -0.723 41.374 42.059 0.064 0.000 0.889 400 L HN 0.286 nan 8.230 nan 0.000 0.433 401 D N -0.584 119.776 120.400 -0.066 0.000 2.144 401 D HA -0.232 4.411 4.640 0.005 0.000 0.199 401 D C 2.076 178.355 176.300 -0.035 0.000 0.984 401 D CA 1.348 55.308 54.000 -0.067 0.000 0.834 401 D CB -0.017 40.761 40.800 -0.036 0.000 0.955 401 D HN 0.411 nan 8.370 nan 0.000 0.465 402 E N -0.096 120.116 120.200 0.020 0.000 2.072 402 E HA -0.047 4.305 4.350 0.005 0.000 0.190 402 E C 1.945 178.697 176.600 0.253 0.000 0.982 402 E CA 0.804 57.289 56.400 0.142 0.000 0.803 402 E CB -0.054 29.746 29.700 0.167 0.000 0.755 402 E HN 0.230 nan 8.360 nan 0.000 0.453 403 M N 0.081 119.767 119.600 0.143 0.000 2.117 403 M HA -0.132 4.351 4.480 0.005 0.000 0.262 403 M C 1.883 178.253 176.300 0.116 0.000 1.065 403 M CA 1.925 57.329 55.300 0.174 0.000 1.114 403 M CB -0.314 32.396 32.600 0.183 0.000 1.361 403 M HN 0.089 nan 8.290 nan 0.000 0.408 404 D N 0.082 120.364 120.400 -0.196 0.000 2.178 404 D HA -0.182 4.461 4.640 0.005 0.000 0.201 404 D C 1.674 178.038 176.300 0.108 0.000 0.980 404 D CA 1.044 54.983 54.000 -0.102 0.000 0.842 404 D CB 0.022 40.619 40.800 -0.339 0.000 0.948 404 D HN 0.274 nan 8.370 nan 0.000 0.472 405 F N -0.662 119.236 119.950 -0.086 0.000 2.098 405 F HA -0.001 4.528 4.527 0.004 0.000 0.294 405 F C 1.562 177.247 175.800 -0.190 0.000 1.107 405 F CA 1.359 59.241 58.000 -0.197 0.000 1.234 405 F CB -0.589 38.171 39.000 -0.399 0.000 1.002 405 F HN 0.026 nan 8.300 nan 0.000 0.472 406 W N 0.043 121.362 121.300 0.031 0.000 2.409 406 W HA 0.017 4.680 4.660 0.005 0.000 0.299 406 W C 2.495 179.047 176.519 0.055 0.000 1.203 406 W CA 1.414 58.752 57.345 -0.011 0.000 1.298 406 W CB -0.726 28.889 29.460 0.258 0.000 1.127 406 W HN 0.105 nan 8.180 nan 0.000 0.528 407 A N -0.273 122.691 122.820 0.241 0.000 1.887 407 A HA 0.209 4.531 4.320 0.005 0.000 0.210 407 A C 2.135 179.755 177.584 0.060 0.000 1.221 407 A CA 1.248 53.330 52.037 0.074 0.000 0.635 407 A CB -1.322 17.560 19.000 -0.196 0.000 0.881 407 A HN 0.214 nan 8.150 nan 0.000 0.456 408 G N -1.637 107.288 108.800 0.208 0.000 2.650 408 G HA2 0.208 4.171 3.960 0.005 0.000 0.214 408 G HA3 0.208 4.171 3.960 0.005 0.000 0.214 408 G C 1.145 176.193 174.900 0.248 0.000 1.136 408 G CA 1.597 46.910 45.100 0.355 0.000 0.789 408 G HN 0.448 nan 8.290 nan 0.000 0.536 409 T N 0.285 114.856 114.554 0.029 0.000 3.311 409 T HA 0.186 4.538 4.350 0.005 0.000 0.239 409 T C 2.180 176.683 174.700 -0.328 0.000 0.976 409 T CA -0.076 61.999 62.100 -0.041 0.000 1.283 409 T CB 0.038 68.896 68.868 -0.017 0.000 1.113 409 T HN -0.053 nan 8.240 nan 0.000 0.392 410 I N 2.261 122.425 120.570 -0.677 0.000 2.163 410 I HA -0.019 4.154 4.170 0.005 0.000 0.240 410 I C 2.913 178.807 176.117 -0.371 0.000 1.081 410 I CA 1.699 62.520 61.300 -0.799 0.000 1.353 410 I CB -1.881 35.550 38.000 -0.949 0.000 1.054 410 I HN 0.395 nan 8.210 nan 0.000 0.407 411 G N 1.598 110.307 108.800 -0.152 0.000 2.513 411 G HA2 -0.258 3.705 3.960 0.005 0.000 0.219 411 G HA3 -0.258 3.705 3.960 0.005 0.000 0.219 411 G C 1.819 176.717 174.900 -0.004 0.000 1.160 411 G CA 2.076 47.216 45.100 0.067 0.000 0.767 411 G HN 0.399 nan 8.290 nan 0.000 0.571 412 V N -1.020 118.769 119.914 -0.208 0.000 2.427 412 V HA -0.117 4.005 4.120 0.005 0.000 0.248 412 V C 2.713 178.561 176.094 -0.411 0.000 1.051 412 V CA 1.841 63.962 62.300 -0.299 0.000 1.048 412 V CB -0.811 30.709 31.823 -0.505 0.000 0.666 412 V HN 0.174 nan 8.190 nan 0.000 0.456 413 V N 0.127 119.670 119.914 -0.618 0.000 2.307 413 V HA -0.159 3.964 4.120 0.005 0.000 0.245 413 V C 2.376 178.335 176.094 -0.225 0.000 1.045 413 V CA 2.387 64.236 62.300 -0.753 0.000 1.024 413 V CB -1.040 30.510 31.823 -0.455 0.000 0.651 413 V HN 0.602 nan 8.190 nan 0.000 0.449 414 F N 0.594 120.395 119.950 -0.248 0.000 2.095 414 F HA -0.249 4.281 4.527 0.004 0.000 0.298 414 F C 2.082 177.859 175.800 -0.038 0.000 1.104 414 F CA 1.838 59.748 58.000 -0.151 0.000 1.232 414 F CB -0.557 38.317 39.000 -0.211 0.000 0.987 414 F HN 0.164 nan 8.300 nan 0.000 0.475 415 F N 1.130 120.884 119.950 -0.327 0.000 2.186 415 F HA 0.090 4.620 4.527 0.004 0.000 0.299 415 F C 2.481 178.206 175.800 -0.125 0.000 1.090 415 F CA 1.346 59.165 58.000 -0.301 0.000 1.307 415 F CB -1.152 37.817 39.000 -0.051 0.000 1.019 415 F HN 0.040 nan 8.300 nan 0.000 0.489 416 G N 0.434 109.275 108.800 0.069 0.000 2.491 416 G HA2 -0.311 3.652 3.960 0.005 0.000 0.218 416 G HA3 -0.311 3.652 3.960 0.005 0.000 0.218 416 G C 1.654 176.531 174.900 -0.039 0.000 1.180 416 G CA 1.110 46.320 45.100 0.183 0.000 0.774 416 G HN 0.395 nan 8.290 nan 0.000 0.562 417 L N 0.857 122.023 121.223 -0.094 0.000 2.046 417 L HA 0.009 4.352 4.340 0.005 0.000 0.208 417 L C 2.938 179.599 176.870 -0.348 0.000 1.077 417 L CA 2.617 57.345 54.840 -0.186 0.000 0.747 417 L CB -1.006 40.976 42.059 -0.128 0.000 0.896 417 L HN 0.205 nan 8.230 nan 0.000 0.432 418 T N 0.194 114.463 114.554 -0.474 0.000 2.652 418 T HA -0.229 4.123 4.350 0.005 0.000 0.267 418 T C 1.612 175.982 174.700 -0.550 0.000 1.039 418 T CA 1.758 63.532 62.100 -0.544 0.000 1.153 418 T CB -0.326 68.126 68.868 -0.692 0.000 0.863 418 T HN 0.706 nan 8.240 nan 0.000 0.428 419 E N 1.224 121.086 120.200 -0.564 0.000 2.150 419 E HA -0.093 4.259 4.350 0.005 0.000 0.193 419 E C 2.354 178.775 176.600 -0.298 0.000 0.985 419 E CA 0.865 56.971 56.400 -0.491 0.000 0.814 419 E CB -0.555 28.939 29.700 -0.343 0.000 0.752 419 E HN 0.462 nan 8.360 nan 0.000 0.466 420 L N 0.769 121.836 121.223 -0.260 0.000 2.027 420 L HA -0.097 4.245 4.340 0.005 0.000 0.206 420 L C 2.553 179.228 176.870 -0.325 0.000 1.074 420 L CA 1.133 55.856 54.840 -0.196 0.000 0.745 420 L CB -0.139 41.772 42.059 -0.246 0.000 0.898 420 L HN 0.139 nan 8.230 nan 0.000 0.433 421 I N 0.009 120.251 120.570 -0.545 0.000 2.163 421 I HA -0.376 3.797 4.170 0.005 0.000 0.243 421 I C 2.424 178.354 176.117 -0.312 0.000 1.085 421 I CA 1.724 62.624 61.300 -0.667 0.000 1.347 421 I CB -0.283 37.361 38.000 -0.592 0.000 1.044 421 I HN 0.282 nan 8.210 nan 0.000 0.408 422 I N -0.368 120.009 120.570 -0.322 0.000 2.179 422 I HA -0.326 3.847 4.170 0.005 0.000 0.242 422 I C 2.471 178.569 176.117 -0.032 0.000 1.088 422 I CA 1.598 62.741 61.300 -0.261 0.000 1.357 422 I CB -0.354 37.350 38.000 -0.493 0.000 1.051 422 I HN 0.184 nan 8.210 nan 0.000 0.409 423 F N 0.650 120.504 119.950 -0.159 0.000 2.118 423 F HA -0.109 4.421 4.527 0.004 0.000 0.293 423 F C 2.050 177.921 175.800 0.118 0.000 1.102 423 F CA 1.417 59.404 58.000 -0.021 0.000 1.247 423 F CB -0.420 38.571 39.000 -0.014 0.000 1.017 423 F HN -0.133 nan 8.300 nan 0.000 0.475 424 F N -1.863 118.051 119.950 -0.059 0.000 2.743 424 F HA -0.020 4.510 4.527 0.005 0.000 0.297 424 F C 1.114 177.001 175.800 0.145 0.000 1.131 424 F CA 0.464 58.414 58.000 -0.082 0.000 1.426 424 F CB -0.047 38.906 39.000 -0.079 0.000 1.116 424 F HN -0.001 nan 8.300 nan 0.000 0.583 425 W N -1.213 120.045 121.300 -0.070 0.000 3.227 425 W HA 0.181 4.844 4.660 0.004 0.000 0.246 425 W C 2.022 178.428 176.519 -0.188 0.000 1.007 425 W CA -0.147 57.114 57.345 -0.139 0.000 1.925 425 W CB -1.014 28.366 29.460 -0.133 0.000 1.062 425 W HN -0.312 nan 8.180 nan 0.000 0.649 426 I N 0.064 120.650 120.570 0.027 0.000 2.162 426 I HA -0.224 3.949 4.170 0.005 0.000 0.238 426 I C 2.316 178.403 176.117 -0.050 0.000 1.076 426 I CA 1.384 62.599 61.300 -0.141 0.000 1.353 426 I CB -1.933 35.818 38.000 -0.414 0.000 1.063 426 I HN -0.116 nan 8.210 nan 0.000 0.408 427 F N 1.764 121.624 119.950 -0.150 0.000 2.171 427 F HA 0.193 4.722 4.527 0.005 0.000 0.300 427 F C 1.096 176.769 175.800 -0.211 0.000 1.090 427 F CA 1.021 58.930 58.000 -0.153 0.000 1.293 427 F CB -0.149 38.748 39.000 -0.170 0.000 1.013 427 F HN 0.225 nan 8.300 nan 0.000 0.486 428 G N -1.008 107.595 108.800 -0.328 0.000 2.957 428 G HA2 0.315 4.278 3.960 0.005 0.000 0.636 428 G HA3 0.315 4.278 3.960 0.005 0.000 0.636 428 G C 0.263 174.859 174.900 -0.506 0.000 1.401 428 G CA -0.443 44.409 45.100 -0.413 0.000 0.941 428 G HN 0.598 nan 8.290 nan 0.000 0.610 429 A N 1.549 124.125 122.820 -0.407 0.000 1.877 429 A HA 0.018 4.341 4.320 0.005 0.000 0.216 429 A C 2.022 179.347 177.584 -0.431 0.000 1.186 429 A CA 2.517 54.184 52.037 -0.617 0.000 0.620 429 A CB -0.286 18.566 19.000 -0.247 0.000 0.822 429 A HN 0.685 nan 8.150 nan 0.000 0.443 430 D N -0.248 120.054 120.400 -0.164 0.000 2.144 430 D HA -0.094 4.549 4.640 0.005 0.000 0.200 430 D C 1.883 178.112 176.300 -0.117 0.000 0.978 430 D CA 1.296 55.264 54.000 -0.053 0.000 0.833 430 D CB -0.257 40.495 40.800 -0.079 0.000 0.961 430 D HN 0.528 nan 8.370 nan 0.000 0.470 431 K N 0.842 121.065 120.400 -0.294 0.000 2.148 431 K HA 0.013 4.336 4.320 0.005 0.000 0.204 431 K C 2.133 178.571 176.600 -0.270 0.000 1.050 431 K CA 0.951 57.034 56.287 -0.340 0.000 0.942 431 K CB 0.060 32.137 32.500 -0.706 0.000 0.724 431 K HN -0.001 nan 8.250 nan 0.000 0.446 432 A N 1.506 124.013 122.820 -0.523 0.000 1.872 432 A HA -0.161 4.162 4.320 0.005 0.000 0.214 432 A C 1.916 179.340 177.584 -0.267 0.000 1.187 432 A CA 0.804 52.362 52.037 -0.798 0.000 0.614 432 A CB -0.957 17.030 19.000 -1.689 0.000 0.826 432 A HN 0.577 nan 8.150 nan 0.000 0.442 433 W N 0.948 122.007 121.300 -0.403 0.000 2.321 433 W HA -0.270 4.393 4.660 0.004 0.000 0.306 433 W C 2.268 178.787 176.519 -0.001 0.000 1.217 433 W CA 2.834 60.169 57.345 -0.017 0.000 1.257 433 W CB -0.095 29.437 29.460 0.120 0.000 1.145 433 W HN 0.539 nan 8.180 nan 0.000 0.509 434 E N 0.643 120.855 120.200 0.021 0.000 2.152 434 E HA -0.258 4.094 4.350 0.005 0.000 0.192 434 E C 1.524 178.110 176.600 -0.023 0.000 0.983 434 E CA 1.685 58.059 56.400 -0.043 0.000 0.818 434 E CB -0.873 28.833 29.700 0.010 0.000 0.758 434 E HN 0.394 nan 8.360 nan 0.000 0.467 435 E N 0.209 120.448 120.200 0.063 0.000 2.072 435 E HA -0.048 4.305 4.350 0.005 0.000 0.191 435 E C 1.916 178.597 176.600 0.135 0.000 0.985 435 E CA 1.164 57.669 56.400 0.174 0.000 0.801 435 E CB -0.301 29.600 29.700 0.335 0.000 0.750 435 E HN 0.626 nan 8.360 nan 0.000 0.452 436 I N 0.805 121.433 120.570 0.097 0.000 2.179 436 I HA -0.265 3.908 4.170 0.005 0.000 0.242 436 I C 1.977 177.976 176.117 -0.196 0.000 1.088 436 I CA 1.176 62.474 61.300 -0.004 0.000 1.357 436 I CB -0.383 37.586 38.000 -0.052 0.000 1.051 436 I HN 0.146 nan 8.210 nan 0.000 0.409 437 N N 0.787 119.281 118.700 -0.343 0.000 2.459 437 N HA -0.082 4.661 4.740 0.005 0.000 0.181 437 N C 0.919 176.313 175.510 -0.193 0.000 1.046 437 N CA 0.248 53.073 53.050 -0.375 0.000 0.904 437 N CB -0.109 38.060 38.487 -0.530 0.000 0.964 437 N HN 0.286 nan 8.380 nan 0.000 0.444 438 R N 0.667 121.106 120.500 -0.102 0.000 2.502 438 R HA 0.053 4.396 4.340 0.005 0.000 0.292 438 R C 0.843 177.128 176.300 -0.025 0.000 0.998 438 R CA 1.023 57.100 56.100 -0.038 0.000 1.056 438 R CB -0.039 30.273 30.300 0.019 0.000 0.939 438 R HN 0.315 nan 8.270 nan 0.000 0.411 439 G N 2.618 111.402 108.800 -0.026 0.000 2.179 439 G HA2 -0.269 3.694 3.960 0.005 0.000 0.260 439 G HA3 -0.269 3.694 3.960 0.005 0.000 0.260 439 G C 0.420 175.300 174.900 -0.033 0.000 0.977 439 G CA 0.033 45.125 45.100 -0.013 0.000 0.641 439 G HN 0.953 nan 8.290 nan 0.000 0.533 440 G N -0.329 108.426 108.800 -0.075 0.000 2.340 440 G HA2 0.434 4.397 3.960 0.005 0.000 0.245 440 G HA3 0.434 4.397 3.960 0.005 0.000 0.245 440 G C 1.227 176.081 174.900 -0.076 0.000 1.294 440 G CA 0.109 45.146 45.100 -0.105 0.000 0.896 440 G HN 0.442 nan 8.290 nan 0.000 0.522 441 I N 1.969 122.501 120.570 -0.063 0.000 2.252 441 I HA -0.016 4.157 4.170 0.005 0.000 0.245 441 I C 1.291 177.377 176.117 -0.051 0.000 1.102 441 I CA 0.868 62.142 61.300 -0.043 0.000 1.385 441 I CB -0.241 37.741 38.000 -0.029 0.000 1.064 441 I HN 0.472 nan 8.210 nan 0.000 0.414 442 I N -1.091 119.434 120.570 -0.075 0.000 3.067 442 I HA 0.446 4.619 4.170 0.005 0.000 0.312 442 I C -0.824 175.203 176.117 -0.149 0.000 1.073 442 I CA -0.823 60.428 61.300 -0.080 0.000 1.016 442 I CB 1.884 39.855 38.000 -0.048 0.000 1.227 442 I HN -0.069 nan 8.210 nan 0.000 0.456 443 K N 2.072 122.387 120.400 -0.141 0.000 2.118 443 K HA 0.584 4.906 4.320 0.005 0.000 0.254 443 K C -0.823 175.615 176.600 -0.270 0.000 0.961 443 K CA -0.901 55.255 56.287 -0.219 0.000 0.876 443 K CB 2.188 34.612 32.500 -0.127 0.000 1.077 443 K HN 0.426 nan 8.250 nan 0.000 0.440 444 V N 3.665 123.295 119.914 -0.473 0.000 2.521 444 V HA 0.062 4.185 4.120 0.005 0.000 0.286 444 V C -2.068 174.070 176.094 0.073 0.000 1.034 444 V CA -1.516 60.489 62.300 -0.490 0.000 1.045 444 V CB 0.099 31.384 31.823 -0.898 0.000 0.974 444 V HN 0.647 nan 8.190 nan 0.000 0.480 445 P HA 0.001 nan 4.420 nan 0.000 0.261 445 P C 0.911 178.468 177.300 0.429 0.000 1.173 445 P CA 0.221 63.507 63.100 0.309 0.000 0.760 445 P CB 0.396 32.299 31.700 0.339 0.000 0.783 446 R N 3.205 123.898 120.500 0.322 0.000 2.133 446 R HA -0.222 4.121 4.340 0.005 0.000 0.247 446 R C 1.826 178.259 176.300 0.222 0.000 1.151 446 R CA 1.471 57.722 56.100 0.252 0.000 0.971 446 R CB -0.595 29.805 30.300 0.167 0.000 0.866 446 R HN 0.381 nan 8.270 nan 0.000 0.447 447 I N 0.189 120.891 120.570 0.219 0.000 2.335 447 I HA -0.277 3.895 4.170 0.005 0.000 0.251 447 I C 1.260 177.478 176.117 0.170 0.000 1.129 447 I CA 1.528 62.936 61.300 0.179 0.000 1.402 447 I CB -0.226 37.779 38.000 0.008 0.000 1.069 447 I HN 0.234 nan 8.210 nan 0.000 0.424 448 Y N -1.649 118.795 120.300 0.239 0.000 2.571 448 Y HA -0.255 4.298 4.550 0.005 0.000 0.294 448 Y C 2.173 178.135 175.900 0.103 0.000 1.141 448 Y CA 1.154 59.398 58.100 0.240 0.000 1.308 448 Y CB -0.356 38.346 38.460 0.404 0.000 1.002 448 Y HN 0.337 nan 8.280 nan 0.000 0.551 449 Y N -0.860 119.303 120.300 -0.227 0.000 2.200 449 Y HA -0.314 4.239 4.550 0.005 0.000 0.290 449 Y C 1.493 177.144 175.900 -0.416 0.000 1.137 449 Y CA 1.593 59.266 58.100 -0.712 0.000 1.163 449 Y CB -0.642 36.910 38.460 -1.512 0.000 0.988 449 Y HN 0.105 nan 8.280 nan 0.000 0.518 450 Y N -1.224 119.108 120.300 0.052 0.000 2.373 450 Y HA -0.117 4.436 4.550 0.005 0.000 0.293 450 Y C 2.421 178.375 175.900 0.089 0.000 1.129 450 Y CA 1.096 59.289 58.100 0.154 0.000 1.226 450 Y CB -0.733 37.857 38.460 0.217 0.000 1.000 450 Y HN -0.024 nan 8.280 nan 0.000 0.549 451 V N -0.040 119.961 119.914 0.144 0.000 2.270 451 V HA -0.345 3.777 4.120 0.005 0.000 0.245 451 V C 2.221 178.300 176.094 -0.025 0.000 1.043 451 V CA 2.094 64.446 62.300 0.088 0.000 1.014 451 V CB -0.616 31.283 31.823 0.128 0.000 0.645 451 V HN 0.402 nan 8.190 nan 0.000 0.447 452 M N -0.785 118.708 119.600 -0.179 0.000 2.159 452 M HA -0.178 4.305 4.480 0.005 0.000 0.263 452 M C 2.433 178.360 176.300 -0.621 0.000 1.063 452 M CA 1.818 56.803 55.300 -0.525 0.000 1.110 452 M CB -0.392 31.591 32.600 -1.028 0.000 1.374 452 M HN 0.167 nan 8.290 nan 0.000 0.411 453 R N -0.863 119.287 120.500 -0.584 0.000 2.100 453 R HA -0.091 4.252 4.340 0.005 0.000 0.220 453 R C 1.266 177.415 176.300 -0.252 0.000 1.091 453 R CA 1.406 57.254 56.100 -0.419 0.000 0.986 453 R CB 0.253 30.051 30.300 -0.838 0.000 0.888 453 R HN 0.338 nan 8.270 nan 0.000 0.444 454 Y N -1.318 119.044 120.300 0.103 0.000 2.678 454 Y HA 0.156 4.709 4.550 0.005 0.000 0.274 454 Y C 1.936 177.918 175.900 0.137 0.000 1.114 454 Y CA -0.307 57.888 58.100 0.159 0.000 1.274 454 Y CB 0.062 38.593 38.460 0.118 0.000 1.438 454 Y HN -0.129 nan 8.280 nan 0.000 0.493 455 I N 0.149 120.868 120.570 0.248 0.000 2.193 455 I HA -0.187 3.986 4.170 0.005 0.000 0.240 455 I C 2.010 178.220 176.117 0.155 0.000 1.084 455 I CA 1.668 63.074 61.300 0.177 0.000 1.365 455 I CB -1.694 36.371 38.000 0.109 0.000 1.064 455 I HN 0.206 nan 8.210 nan 0.000 0.410 456 T N 2.714 117.309 114.554 0.069 0.000 2.684 456 T HA -0.070 4.282 4.350 0.005 0.000 0.267 456 T C -0.354 174.403 174.700 0.096 0.000 1.036 456 T CA 1.744 63.866 62.100 0.038 0.000 1.148 456 T CB -1.470 67.361 68.868 -0.062 0.000 0.863 456 T HN 0.291 nan 8.240 nan 0.000 0.436 457 P HA 0.061 nan 4.420 nan 0.000 0.217 457 P C 1.397 178.770 177.300 0.121 0.000 1.151 457 P CA 1.203 64.296 63.100 -0.012 0.000 0.828 457 P CB -0.182 31.403 31.700 -0.191 0.000 0.788 458 A N -0.798 122.143 122.820 0.202 0.000 1.930 458 A HA -0.138 4.185 4.320 0.005 0.000 0.217 458 A C 2.136 179.828 177.584 0.179 0.000 1.175 458 A CA 0.952 53.106 52.037 0.195 0.000 0.627 458 A CB -1.774 17.347 19.000 0.201 0.000 0.815 458 A HN 0.090 nan 8.150 nan 0.000 0.443 459 F N 0.673 120.661 119.950 0.065 0.000 2.069 459 F HA -0.175 4.355 4.527 0.004 0.000 0.298 459 F C 1.998 177.850 175.800 0.086 0.000 1.113 459 F CA 1.946 59.979 58.000 0.055 0.000 1.214 459 F CB -0.175 38.861 39.000 0.061 0.000 0.978 459 F HN 0.137 nan 8.300 nan 0.000 0.474 460 L N -0.553 120.870 121.223 0.334 0.000 2.093 460 L HA -0.165 4.177 4.340 0.005 0.000 0.208 460 L C 2.737 179.691 176.870 0.140 0.000 1.085 460 L CA 1.028 56.020 54.840 0.253 0.000 0.755 460 L CB -1.218 40.987 42.059 0.243 0.000 0.904 460 L HN 0.227 nan 8.230 nan 0.000 0.435 461 A N -0.187 122.700 122.820 0.111 0.000 1.873 461 A HA -0.133 4.190 4.320 0.005 0.000 0.215 461 A C 2.350 179.982 177.584 0.079 0.000 1.186 461 A CA 1.603 53.697 52.037 0.095 0.000 0.616 461 A CB -0.801 18.260 19.000 0.101 0.000 0.823 461 A HN 0.162 nan 8.150 nan 0.000 0.442 462 V N -0.274 119.663 119.914 0.039 0.000 2.343 462 V HA -0.250 3.873 4.120 0.005 0.000 0.247 462 V C 2.508 178.600 176.094 -0.002 0.000 1.051 462 V CA 2.013 64.310 62.300 -0.005 0.000 1.036 462 V CB -0.791 30.984 31.823 -0.080 0.000 0.654 462 V HN 0.590 nan 8.190 nan 0.000 0.451 463 L N -0.422 120.781 121.223 -0.033 0.000 1.990 463 L HA -0.207 4.136 4.340 0.005 0.000 0.213 463 L C 2.246 179.251 176.870 0.226 0.000 1.072 463 L CA 2.028 56.889 54.840 0.035 0.000 0.755 463 L CB -0.458 41.634 42.059 0.055 0.000 0.889 463 L HN 0.208 nan 8.230 nan 0.000 0.432 464 L N -1.858 119.505 121.223 0.234 0.000 2.131 464 L HA -0.223 4.120 4.340 0.005 0.000 0.210 464 L C 2.356 179.366 176.870 0.234 0.000 1.092 464 L CA 0.899 55.892 54.840 0.254 0.000 0.759 464 L CB -0.538 41.605 42.059 0.140 0.000 0.903 464 L HN 0.157 nan 8.230 nan 0.000 0.435 465 V N -0.900 119.117 119.914 0.171 0.000 2.270 465 V HA -0.233 3.890 4.120 0.005 0.000 0.245 465 V C 2.382 178.585 176.094 0.183 0.000 1.043 465 V CA 1.507 63.895 62.300 0.147 0.000 1.014 465 V CB -0.164 31.718 31.823 0.098 0.000 0.645 465 V HN 0.171 nan 8.190 nan 0.000 0.447 466 V N -1.024 118.995 119.914 0.176 0.000 2.469 466 V HA -0.277 3.846 4.120 0.005 0.000 0.251 466 V C 2.105 178.424 176.094 0.375 0.000 1.064 466 V CA 2.022 64.442 62.300 0.201 0.000 1.066 466 V CB -0.668 31.237 31.823 0.137 0.000 0.667 466 V HN 0.723 nan 8.190 nan 0.000 0.461 467 W N 0.897 122.317 121.300 0.199 0.000 2.380 467 W HA -0.128 4.536 4.660 0.006 0.000 0.317 467 W C 2.549 179.218 176.519 0.250 0.000 1.196 467 W CA 2.012 59.509 57.345 0.254 0.000 1.307 467 W CB -0.749 28.772 29.460 0.103 0.000 1.157 467 W HN 0.264 nan 8.180 nan 0.000 0.483 468 A N 0.277 123.353 122.820 0.428 0.000 2.119 468 A HA -0.102 4.221 4.320 0.005 0.000 0.217 468 A C 2.070 179.775 177.584 0.202 0.000 1.153 468 A CA 1.229 53.416 52.037 0.250 0.000 0.692 468 A CB -0.471 18.614 19.000 0.142 0.000 0.799 468 A HN 0.344 nan 8.150 nan 0.000 0.458 469 R N -0.705 119.909 120.500 0.190 0.000 2.075 469 R HA 0.043 4.386 4.340 0.005 0.000 0.220 469 R C 0.790 177.116 176.300 0.043 0.000 1.118 469 R CA 1.114 57.276 56.100 0.103 0.000 0.986 469 R CB 0.038 30.384 30.300 0.077 0.000 0.884 469 R HN 0.359 nan 8.270 nan 0.000 0.439 470 E N -0.846 119.349 120.200 -0.009 0.000 2.548 470 E HA 0.070 4.423 4.350 0.005 0.000 0.206 470 E C 0.074 176.334 176.600 -0.566 0.000 1.005 470 E CA 0.290 56.502 56.400 -0.314 0.000 0.951 470 E CB 0.790 30.190 29.700 -0.499 0.000 1.035 470 E HN 0.396 nan 8.360 nan 0.000 0.470 471 Y N -1.090 119.299 120.300 0.149 0.000 2.498 471 Y HA 0.083 4.636 4.550 0.004 0.000 0.278 471 Y C 1.836 177.846 175.900 0.183 0.000 1.148 471 Y CA -0.239 57.959 58.100 0.165 0.000 1.126 471 Y CB 0.020 38.597 38.460 0.195 0.000 1.320 471 Y HN -0.012 nan 8.280 nan 0.000 0.538 472 I N -0.764 120.018 120.570 0.353 0.000 2.716 472 I HA 0.157 4.329 4.170 0.005 0.000 0.259 472 I C -1.060 175.138 176.117 0.135 0.000 1.172 472 I CA 0.300 61.740 61.300 0.233 0.000 1.478 472 I CB -1.562 36.580 38.000 0.236 0.000 1.104 472 I HN -0.144 nan 8.210 nan 0.000 0.439 473 P HA -0.118 nan 4.420 nan 0.000 0.226 473 P C 1.034 178.372 177.300 0.063 0.000 1.153 473 P CA 1.336 64.490 63.100 0.089 0.000 0.777 473 P CB -0.141 31.601 31.700 0.071 0.000 0.794 474 K N -0.448 119.983 120.400 0.052 0.000 2.525 474 K HA 0.131 4.454 4.320 0.005 0.000 0.192 474 K C 1.643 178.244 176.600 0.001 0.000 1.029 474 K CA 0.611 56.916 56.287 0.030 0.000 1.029 474 K CB -0.064 32.456 32.500 0.033 0.000 0.814 474 K HN 0.274 nan 8.250 nan 0.000 0.503 475 I N -0.643 119.915 120.570 -0.020 0.000 4.323 475 I HA 0.019 4.192 4.170 0.005 0.000 0.328 475 I C 1.360 177.457 176.117 -0.033 0.000 1.310 475 I CA -0.029 61.212 61.300 -0.099 0.000 1.186 475 I CB 0.250 38.064 38.000 -0.311 0.000 1.130 475 I HN 0.038 nan 8.210 nan 0.000 0.411 476 M N 0.596 120.224 119.600 0.047 0.000 2.558 476 M HA 0.052 4.535 4.480 0.005 0.000 0.255 476 M C 1.333 177.713 176.300 0.132 0.000 1.113 476 M CA 1.316 56.686 55.300 0.117 0.000 1.097 476 M CB -0.711 31.988 32.600 0.165 0.000 1.426 476 M HN 0.258 nan 8.290 nan 0.000 0.488 477 E N -0.731 119.526 120.200 0.095 0.000 2.421 477 E HA 0.018 4.370 4.350 0.005 0.000 0.209 477 E C 0.450 177.102 176.600 0.086 0.000 0.871 477 E CA 0.064 56.525 56.400 0.102 0.000 1.064 477 E CB 0.446 30.195 29.700 0.082 0.000 1.075 477 E HN 0.202 nan 8.360 nan 0.000 0.513 478 E N 1.754 121.987 120.200 0.055 0.000 2.411 478 E HA 0.057 4.410 4.350 0.005 0.000 0.228 478 E C -1.004 175.619 176.600 0.038 0.000 1.169 478 E CA -0.043 56.383 56.400 0.044 0.000 1.421 478 E CB 0.266 29.980 29.700 0.023 0.000 1.333 478 E HN 0.136 nan 8.360 nan 0.000 0.434 479 T N -3.097 111.494 114.554 0.061 0.000 2.907 479 T HA 0.283 4.635 4.350 0.005 0.000 0.292 479 T C -0.189 174.588 174.700 0.127 0.000 1.043 479 T CA -0.912 61.224 62.100 0.060 0.000 1.003 479 T CB 1.225 70.092 68.868 -0.001 0.000 1.084 479 T HN 0.136 nan 8.240 nan 0.000 0.483 480 H N 2.000 121.078 119.070 0.014 0.000 2.871 480 H HA -0.012 4.547 4.556 0.005 0.000 0.355 480 H C 1.118 176.479 175.328 0.054 0.000 1.092 480 H CA 0.233 56.288 56.048 0.011 0.000 1.420 480 H CB 0.584 30.275 29.762 -0.118 0.000 1.400 480 H HN 0.933 nan 8.280 nan 0.000 0.604 481 W N 4.032 125.154 121.300 -0.296 0.000 2.387 481 W HA -0.174 4.489 4.660 0.005 0.000 0.272 481 W C 1.238 177.858 176.519 0.167 0.000 1.224 481 W CA 1.257 58.612 57.345 0.018 0.000 1.210 481 W CB -1.313 28.096 29.460 -0.085 0.000 1.125 481 W HN 0.555 nan 8.180 nan 0.000 0.572 482 T N 0.445 114.643 114.554 -0.593 0.000 2.977 482 T HA -0.189 4.164 4.350 0.005 0.000 0.271 482 T C 1.953 176.621 174.700 -0.053 0.000 1.105 482 T CA 1.834 63.657 62.100 -0.462 0.000 1.116 482 T CB -1.113 67.455 68.868 -0.499 0.000 0.878 482 T HN 0.207 nan 8.240 nan 0.000 0.509 483 V N -2.390 117.512 119.914 -0.020 0.000 2.568 483 V HA -0.076 4.046 4.120 0.005 0.000 0.253 483 V C 2.166 178.240 176.094 -0.034 0.000 1.072 483 V CA 0.887 63.156 62.300 -0.052 0.000 1.084 483 V CB -1.522 30.215 31.823 -0.144 0.000 0.676 483 V HN 0.635 nan 8.190 nan 0.000 0.469 484 W N 0.277 121.682 121.300 0.175 0.000 2.465 484 W HA 0.168 4.831 4.660 0.005 0.000 0.268 484 W C 2.290 178.956 176.519 0.246 0.000 1.242 484 W CA 0.856 58.326 57.345 0.208 0.000 1.248 484 W CB -0.335 29.248 29.460 0.204 0.000 1.118 484 W HN 0.227 nan 8.180 nan 0.000 0.587 485 I N -0.474 120.337 120.570 0.402 0.000 2.179 485 I HA -0.293 3.879 4.170 0.005 0.000 0.242 485 I C 2.255 178.601 176.117 0.381 0.000 1.088 485 I CA 1.500 63.014 61.300 0.357 0.000 1.357 485 I CB -1.080 37.052 38.000 0.220 0.000 1.051 485 I HN -0.144 nan 8.210 nan 0.000 0.409 486 T N 0.462 115.179 114.554 0.272 0.000 2.737 486 T HA -0.100 4.253 4.350 0.005 0.000 0.265 486 T C 2.033 176.914 174.700 0.303 0.000 1.038 486 T CA 1.118 63.381 62.100 0.272 0.000 1.144 486 T CB -0.221 68.763 68.868 0.194 0.000 0.866 486 T HN 0.259 nan 8.240 nan 0.000 0.434 487 R N 0.281 120.920 120.500 0.231 0.000 2.094 487 R HA -0.102 4.241 4.340 0.005 0.000 0.239 487 R C 2.206 178.669 176.300 0.271 0.000 1.137 487 R CA 1.747 57.937 56.100 0.151 0.000 0.943 487 R CB -0.715 29.566 30.300 -0.032 0.000 0.850 487 R HN 0.344 nan 8.270 nan 0.000 0.433 488 F N 0.606 120.719 119.950 0.271 0.000 2.065 488 F HA -0.322 4.208 4.527 0.005 0.000 0.298 488 F C 2.238 178.181 175.800 0.238 0.000 1.112 488 F CA 1.646 59.795 58.000 0.250 0.000 1.212 488 F CB -0.634 38.527 39.000 0.268 0.000 0.975 488 F HN 0.013 nan 8.300 nan 0.000 0.476 489 Y N 1.397 121.775 120.300 0.130 0.000 2.200 489 Y HA -0.177 4.376 4.550 0.005 0.000 0.290 489 Y C 2.302 178.233 175.900 0.053 0.000 1.137 489 Y CA 2.227 60.334 58.100 0.012 0.000 1.163 489 Y CB -0.638 37.911 38.460 0.149 0.000 0.988 489 Y HN 0.293 nan 8.280 nan 0.000 0.518 490 I N -2.367 118.281 120.570 0.129 0.000 2.617 490 I HA -0.111 4.062 4.170 0.005 0.000 0.256 490 I C 1.915 178.205 176.117 0.288 0.000 1.167 490 I CA 1.193 62.635 61.300 0.236 0.000 1.469 490 I CB -0.607 37.649 38.000 0.427 0.000 1.098 490 I HN 0.158 nan 8.210 nan 0.000 0.436 491 I N 2.474 123.074 120.570 0.050 0.000 2.252 491 I HA -0.142 4.031 4.170 0.005 0.000 0.245 491 I C 2.815 178.865 176.117 -0.111 0.000 1.102 491 I CA 1.594 62.839 61.300 -0.093 0.000 1.385 491 I CB -0.832 37.094 38.000 -0.124 0.000 1.064 491 I HN 0.358 nan 8.210 nan 0.000 0.414 492 G N 1.028 109.677 108.800 -0.252 0.000 2.442 492 G HA2 -0.195 3.768 3.960 0.005 0.000 0.219 492 G HA3 -0.195 3.768 3.960 0.005 0.000 0.219 492 G C 1.724 176.539 174.900 -0.141 0.000 1.141 492 G CA 0.476 45.406 45.100 -0.283 0.000 0.763 492 G HN 0.265 nan 8.290 nan 0.000 0.554 493 L N -0.984 120.157 121.223 -0.136 0.000 2.093 493 L HA 0.033 4.375 4.340 0.005 0.000 0.208 493 L C 2.534 179.549 176.870 0.243 0.000 1.085 493 L CA 0.857 55.745 54.840 0.080 0.000 0.755 493 L CB -0.371 41.743 42.059 0.091 0.000 0.904 493 L HN 0.262 nan 8.230 nan 0.000 0.435 494 F N 0.395 120.355 119.950 0.017 0.000 2.134 494 F HA -0.275 4.255 4.527 0.005 0.000 0.299 494 F C 2.286 177.964 175.800 -0.202 0.000 1.097 494 F CA 1.420 59.255 58.000 -0.275 0.000 1.264 494 F CB 0.000 38.539 39.000 -0.769 0.000 1.001 494 F HN -0.054 nan 8.300 nan 0.000 0.479 495 L N -0.270 121.009 121.223 0.094 0.000 2.046 495 L HA -0.178 4.164 4.340 0.005 0.000 0.208 495 L C 2.168 179.057 176.870 0.031 0.000 1.077 495 L CA 1.781 56.646 54.840 0.042 0.000 0.747 495 L CB -1.291 40.773 42.059 0.010 0.000 0.896 495 L HN 0.287 nan 8.230 nan 0.000 0.432 496 F N -0.212 119.692 119.950 -0.077 0.000 2.102 496 F HA -0.211 4.319 4.527 0.005 0.000 0.298 496 F C 1.951 177.729 175.800 -0.038 0.000 1.105 496 F CA 1.915 59.900 58.000 -0.026 0.000 1.239 496 F CB -0.479 38.496 39.000 -0.041 0.000 0.991 496 F HN 0.075 nan 8.300 nan 0.000 0.474 497 L N -0.543 120.441 121.223 -0.399 0.000 2.109 497 L HA -0.168 4.175 4.340 0.005 0.000 0.207 497 L C 2.349 178.892 176.870 -0.545 0.000 1.086 497 L CA 1.549 56.012 54.840 -0.628 0.000 0.760 497 L CB -1.111 40.628 42.059 -0.534 0.000 0.910 497 L HN 0.119 nan 8.230 nan 0.000 0.437 498 T N -0.162 114.115 114.554 -0.461 0.000 2.746 498 T HA -0.227 4.126 4.350 0.005 0.000 0.267 498 T C 1.628 176.274 174.700 -0.091 0.000 1.039 498 T CA 1.456 63.372 62.100 -0.307 0.000 1.142 498 T CB -0.358 68.377 68.868 -0.220 0.000 0.866 498 T HN 0.199 nan 8.240 nan 0.000 0.444 499 F N 1.749 121.574 119.950 -0.209 0.000 2.171 499 F HA 0.006 4.536 4.527 0.005 0.000 0.300 499 F C 1.881 177.653 175.800 -0.046 0.000 1.090 499 F CA 0.862 58.795 58.000 -0.111 0.000 1.293 499 F CB -0.544 38.388 39.000 -0.112 0.000 1.013 499 F HN 0.079 nan 8.300 nan 0.000 0.486 500 L N -1.051 119.990 121.223 -0.305 0.000 2.093 500 L HA -0.187 4.155 4.340 0.005 0.000 0.208 500 L C 2.389 179.234 176.870 -0.042 0.000 1.085 500 L CA 0.921 55.596 54.840 -0.275 0.000 0.755 500 L CB -0.953 40.938 42.059 -0.279 0.000 0.904 500 L HN -0.020 nan 8.230 nan 0.000 0.435 501 V N -0.096 119.773 119.914 -0.077 0.000 2.343 501 V HA -0.326 3.797 4.120 0.005 0.000 0.247 501 V C 2.273 178.345 176.094 -0.036 0.000 1.051 501 V CA 2.001 64.302 62.300 0.002 0.000 1.036 501 V CB -0.623 31.123 31.823 -0.128 0.000 0.654 501 V HN 0.367 nan 8.190 nan 0.000 0.451 502 F N 0.285 120.126 119.950 -0.183 0.000 2.134 502 F HA -0.181 4.349 4.527 0.005 0.000 0.299 502 F C 2.044 177.700 175.800 -0.239 0.000 1.097 502 F CA 1.707 59.601 58.000 -0.177 0.000 1.264 502 F CB -0.173 38.758 39.000 -0.115 0.000 1.001 502 F HN 0.030 nan 8.300 nan 0.000 0.479 503 L N -0.119 120.933 121.223 -0.284 0.000 2.141 503 L HA -0.155 4.188 4.340 0.005 0.000 0.209 503 L C 2.760 179.434 176.870 -0.327 0.000 1.094 503 L CA 0.986 55.595 54.840 -0.386 0.000 0.763 503 L CB -1.060 40.746 42.059 -0.421 0.000 0.908 503 L HN 0.296 nan 8.230 nan 0.000 0.437 504 A N 0.769 123.442 122.820 -0.244 0.000 1.929 504 A HA -0.193 4.130 4.320 0.005 0.000 0.216 504 A C 2.174 179.625 177.584 -0.221 0.000 1.176 504 A CA 1.436 53.343 52.037 -0.217 0.000 0.628 504 A CB -0.373 18.522 19.000 -0.175 0.000 0.816 504 A HN 0.606 nan 8.150 nan 0.000 0.444 505 E N -0.570 119.473 120.200 -0.261 0.000 2.106 505 E HA -0.181 4.172 4.350 0.005 0.000 0.192 505 E C 1.917 178.345 176.600 -0.287 0.000 0.984 505 E CA 0.733 56.972 56.400 -0.268 0.000 0.806 505 E CB -0.313 29.212 29.700 -0.291 0.000 0.750 505 E HN 0.355 nan 8.360 nan 0.000 0.458 506 R N 0.897 121.154 120.500 -0.405 0.000 2.092 506 R HA -0.031 4.312 4.340 0.005 0.000 0.231 506 R C 2.402 178.588 176.300 -0.189 0.000 1.119 506 R CA 1.212 57.106 56.100 -0.343 0.000 0.970 506 R CB -0.653 29.367 30.300 -0.466 0.000 0.864 506 R HN 0.274 nan 8.270 nan 0.000 0.440 507 R N 0.984 121.370 120.500 -0.189 0.000 2.066 507 R HA -0.075 4.268 4.340 0.005 0.000 0.232 507 R C 2.360 178.622 176.300 -0.064 0.000 1.131 507 R CA 1.266 57.295 56.100 -0.118 0.000 0.955 507 R CB -0.176 30.038 30.300 -0.143 0.000 0.851 507 R HN 0.076 nan 8.270 nan 0.000 0.432 508 R N 0.315 120.760 120.500 -0.092 0.000 2.105 508 R HA -0.136 4.207 4.340 0.005 0.000 0.239 508 R C 1.490 177.764 176.300 -0.043 0.000 1.135 508 R CA 1.865 57.928 56.100 -0.062 0.000 0.967 508 R CB -0.200 30.057 30.300 -0.072 0.000 0.861 508 R HN 0.272 nan 8.270 nan 0.000 0.442 509 N N -0.038 118.628 118.700 -0.056 0.000 2.142 509 N HA -0.179 4.564 4.740 0.005 0.000 0.186 509 N C 1.673 177.177 175.510 -0.010 0.000 1.023 509 N CA 1.073 54.099 53.050 -0.039 0.000 0.852 509 N CB -0.619 37.833 38.487 -0.059 0.000 0.998 509 N HN 0.401 nan 8.380 nan 0.000 0.424 510 H N 0.975 119.998 119.070 -0.079 0.000 2.428 510 H HA 0.029 4.588 4.556 0.005 0.000 0.296 510 H C 0.955 176.253 175.328 -0.051 0.000 1.062 510 H CA 0.936 56.947 56.048 -0.062 0.000 1.350 510 H CB 0.595 30.316 29.762 -0.068 0.000 1.403 510 H HN 0.157 nan 8.280 nan 0.000 0.533 511 E N 0.203 120.408 120.200 0.007 0.000 2.107 511 E HA -0.062 4.290 4.350 0.005 0.000 0.191 511 E C 2.333 178.893 176.600 -0.067 0.000 0.982 511 E CA 0.538 56.921 56.400 -0.029 0.000 0.809 511 E CB -0.012 29.682 29.700 -0.010 0.000 0.756 511 E HN 0.337 nan 8.360 nan 0.000 0.459 512 S N 0.870 116.535 115.700 -0.058 0.000 2.428 512 S HA -0.031 4.442 4.470 0.005 0.000 0.230 512 S C 1.998 176.555 174.600 -0.073 0.000 1.014 512 S CA 0.799 58.969 58.200 -0.051 0.000 0.957 512 S CB 0.040 63.221 63.200 -0.031 0.000 0.784 512 S HN 0.351 nan 8.310 nan 0.000 0.499 513 A N 1.326 124.076 122.820 -0.115 0.000 1.929 513 A HA 0.210 4.533 4.320 0.005 0.000 0.216 513 A C 2.037 179.529 177.584 -0.153 0.000 1.176 513 A CA 1.257 53.213 52.037 -0.135 0.000 0.628 513 A CB -0.899 17.996 19.000 -0.175 0.000 0.816 513 A HN 0.488 nan 8.150 nan 0.000 0.444 514 G N -0.194 108.486 108.800 -0.201 0.000 3.279 514 G HA2 0.364 4.327 3.960 0.005 0.000 0.230 514 G HA3 0.364 4.327 3.960 0.005 0.000 0.230 514 G C 0.527 175.373 174.900 -0.089 0.000 1.230 514 G CA 0.904 45.910 45.100 -0.158 0.000 0.891 514 G HN 0.691 nan 8.290 nan 0.000 0.518 515 T N 0.000 114.510 114.554 -0.073 0.000 3.816 515 T HA 0.000 4.353 4.350 0.005 0.000 0.228 515 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 515 T CB 0.000 68.844 68.868 -0.039 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658