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 1v02_1_D DATA FIRST_RESID 13 DATA SEQUENCE RLSPWEIPRR DWFPPSFLFG AATSAYQIEG AWNEDGKGPS TWDHFCHNFP DATA SEQUENCE EWIVDRSNGD VAADSYHMYA EDVRLLKEMG MDAYRFSISW PRILPKGTLA DATA SEQUENCE GGINEKRVEY YNKLIDLLLE NGIEPYITIF HWDTPQALVD AYGGFLDERI DATA SEQUENCE IKDYTDFAKV CFEKFGKTVK NWLTFNEPET FCSVSYGTGV LAPGRcSPGV DATA SEQUENCE ScAVPTGNSL SEPYIVAHNL LRAHAETVDI YNKYHKGADG RIGLALNVFG DATA SEQUENCE RVPYTNTFLD QQAQERSMDK CLGWFLEPVV RGDYPFSMRV SARDRVPYFK DATA SEQUENCE EKEQEKLVGS YDMIGINYYT STFSKHIDLS PNNSPVLNTD DAYASQETKG DATA SEQUENCE PDGNAIGPPT GNAWINMYPK GLHDILMTMK NKYGNPPMYI TENGMGDIDK DATA SEQUENCE GDLPKPVALE DHTRLDYIQR HLSVLKQSID LGADVRGYFA WSLLDNFEWS DATA SEQUENCE SGYTERFGIV YVDRENGCER TMKRSARWLQ EFNG 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.216 176.300 -0.140 0.000 0.893 13 R CA 0.000 56.035 56.100 -0.108 0.000 0.921 13 R CB 0.000 30.253 30.300 -0.079 0.000 0.687 14 L N 2.971 124.096 121.223 -0.163 0.000 2.543 14 L HA 0.069 4.409 4.340 -0.000 0.000 0.285 14 L C 0.155 176.841 176.870 -0.306 0.000 1.236 14 L CA 0.360 55.067 54.840 -0.221 0.000 0.871 14 L CB 0.913 42.847 42.059 -0.208 0.000 1.121 14 L HN 0.307 nan 8.230 nan 0.000 0.501 15 S N 3.658 119.058 115.700 -0.499 0.000 2.584 15 S HA 0.082 4.552 4.470 -0.000 0.000 0.270 15 S C -1.421 172.782 174.600 -0.661 0.000 1.346 15 S CA -1.022 56.720 58.200 -0.763 0.000 1.018 15 S CB 1.086 63.298 63.200 -1.646 0.000 0.899 15 S HN 0.487 nan 8.310 nan 0.000 0.542 16 P HA -0.119 nan 4.420 nan 0.000 0.216 16 P C 1.075 178.383 177.300 0.014 0.000 1.153 16 P CA 1.261 64.318 63.100 -0.073 0.000 0.858 16 P CB -0.049 31.723 31.700 0.119 0.000 0.789 17 W N -0.014 121.332 121.300 0.076 0.000 2.937 17 W HA 0.133 4.792 4.660 -0.000 0.000 0.245 17 W C 1.062 177.684 176.519 0.170 0.000 1.306 17 W CA 0.274 57.685 57.345 0.110 0.000 1.470 17 W CB -1.205 28.305 29.460 0.084 0.000 1.132 17 W HN -0.000 nan 8.180 nan 0.000 0.675 18 E N 0.874 120.910 120.200 -0.274 0.000 2.472 18 E HA 0.036 4.385 4.350 -0.000 0.000 0.196 18 E C 0.631 177.278 176.600 0.078 0.000 1.033 18 E CA -0.194 56.170 56.400 -0.059 0.000 0.886 18 E CB 0.209 29.744 29.700 -0.276 0.000 0.944 18 E HN 0.145 nan 8.360 nan 0.000 0.492 19 I N 3.200 123.758 120.570 -0.019 0.000 2.471 19 I HA 0.110 4.280 4.170 -0.000 0.000 0.286 19 I C -2.156 173.797 176.117 -0.274 0.000 1.079 19 I CA -2.396 58.853 61.300 -0.083 0.000 1.398 19 I CB -0.169 37.818 38.000 -0.022 0.000 1.403 19 I HN -0.280 nan 8.210 nan 0.000 0.530 20 P HA 0.152 nan 4.420 nan 0.000 0.267 20 P C -0.491 176.464 177.300 -0.576 0.000 1.200 20 P CA 0.078 62.479 63.100 -1.166 0.000 0.772 20 P CB 0.558 32.107 31.700 -0.252 0.000 0.855 21 R N 1.731 121.547 120.500 -1.140 0.000 2.832 21 R HA 0.393 4.733 4.340 -0.000 0.000 0.271 21 R C 1.187 177.180 176.300 -0.511 0.000 0.996 21 R CA -0.881 54.889 56.100 -0.550 0.000 0.977 21 R CB 1.034 31.091 30.300 -0.406 0.000 1.168 21 R HN 0.216 nan 8.270 nan 0.000 0.482 22 R N 1.497 121.403 120.500 -0.990 0.000 2.127 22 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 22 R C 0.775 176.987 176.300 -0.148 0.000 1.134 22 R CA 2.319 57.816 56.100 -1.005 0.000 0.975 22 R CB -0.366 29.278 30.300 -1.093 0.000 0.865 22 R HN 0.722 nan 8.270 nan 0.000 0.447 23 D N -1.775 118.576 120.400 -0.082 0.000 2.328 23 D HA -0.087 4.552 4.640 -0.000 0.000 0.226 23 D C 0.792 177.219 176.300 0.211 0.000 1.066 23 D CA 0.014 54.060 54.000 0.078 0.000 0.861 23 D CB -0.601 40.222 40.800 0.038 0.000 0.912 23 D HN 0.206 nan 8.370 nan 0.000 0.521 24 W N 0.381 121.623 121.300 -0.096 0.000 2.465 24 W HA 0.157 4.817 4.660 -0.000 0.000 0.268 24 W C 0.114 176.331 176.519 -0.504 0.000 1.242 24 W CA -0.203 56.950 57.345 -0.320 0.000 1.248 24 W CB -0.718 28.452 29.460 -0.483 0.000 1.118 24 W HN -0.102 nan 8.180 nan 0.000 0.587 25 F N 0.223 120.265 119.950 0.154 0.000 2.507 25 F HA 0.416 4.943 4.527 -0.000 0.000 0.327 25 F C -1.623 174.217 175.800 0.067 0.000 1.068 25 F CA -3.078 54.911 58.000 -0.017 0.000 0.965 25 F CB -0.138 38.713 39.000 -0.249 0.000 1.192 25 F HN -0.498 nan 8.300 nan 0.000 0.476 26 P HA 0.055 nan 4.420 nan 0.000 0.268 26 P C -2.101 175.362 177.300 0.271 0.000 1.208 26 P CA -0.764 62.482 63.100 0.243 0.000 0.777 26 P CB 0.160 32.018 31.700 0.263 0.000 0.875 27 P HA -0.207 nan 4.420 nan 0.000 0.216 27 P C 1.230 178.645 177.300 0.191 0.000 1.150 27 P CA 1.794 64.993 63.100 0.164 0.000 0.843 27 P CB -0.231 31.535 31.700 0.111 0.000 0.787 28 S N -2.756 113.063 115.700 0.198 0.000 2.593 28 S HA 0.019 4.489 4.470 -0.000 0.000 0.217 28 S C 0.504 175.221 174.600 0.195 0.000 0.966 28 S CA -0.489 57.815 58.200 0.174 0.000 0.914 28 S CB -1.240 62.045 63.200 0.140 0.000 0.776 28 S HN -0.045 nan 8.310 nan 0.000 0.523 29 F N 2.422 122.433 119.950 0.101 0.000 2.563 29 F HA 0.404 4.930 4.527 -0.000 0.000 0.363 29 F C 0.014 175.789 175.800 -0.041 0.000 1.123 29 F CA -0.475 57.540 58.000 0.025 0.000 1.307 29 F CB 0.442 39.484 39.000 0.070 0.000 1.115 29 F HN 0.069 nan 8.300 nan 0.000 0.592 30 L N 6.278 127.213 121.223 -0.480 0.000 2.295 30 L HA 0.376 4.716 4.340 -0.000 0.000 0.285 30 L C -1.013 175.517 176.870 -0.566 0.000 1.035 30 L CA -0.662 53.972 54.840 -0.342 0.000 0.806 30 L CB 1.110 42.946 42.059 -0.372 0.000 1.214 30 L HN 0.470 nan 8.230 nan 0.000 0.426 31 F N 0.926 120.824 119.950 -0.087 0.000 2.469 31 F HA 0.766 5.293 4.527 -0.000 0.000 0.332 31 F C 0.715 176.392 175.800 -0.206 0.000 1.103 31 F CA -0.315 57.644 58.000 -0.069 0.000 0.979 31 F CB 2.152 41.225 39.000 0.122 0.000 1.137 31 F HN 0.467 nan 8.300 nan 0.000 0.463 32 G N 0.511 109.207 108.800 -0.175 0.000 2.749 32 G HA2 0.812 4.772 3.960 -0.000 0.000 0.300 32 G HA3 0.812 4.772 3.960 -0.000 0.000 0.300 32 G C -2.097 172.886 174.900 0.138 0.000 1.352 32 G CA -0.555 44.477 45.100 -0.113 0.000 0.789 32 G HN 0.859 nan 8.290 nan 0.000 0.509 33 A N -1.656 121.376 122.820 0.353 0.000 2.532 33 A HA 1.037 5.357 4.320 -0.000 0.000 0.290 33 A C -0.515 177.333 177.584 0.440 0.000 1.143 33 A CA 0.009 52.245 52.037 0.332 0.000 0.728 33 A CB 1.523 20.641 19.000 0.196 0.000 1.317 33 A HN 2.331 nan 8.150 nan 0.000 0.414 34 A N -0.137 122.813 122.820 0.217 0.000 2.498 34 A HA 0.963 5.282 4.320 -0.000 0.000 0.298 34 A C -0.171 177.284 177.584 -0.215 0.000 1.075 34 A CA 0.119 52.209 52.037 0.088 0.000 0.714 34 A CB 1.403 20.523 19.000 0.201 0.000 1.299 34 A HN 2.144 nan 8.150 nan 0.000 0.407 35 T N -1.596 112.857 114.554 -0.167 0.000 2.778 35 T HA 0.867 5.217 4.350 -0.000 0.000 0.293 35 T C -0.195 174.490 174.700 -0.024 0.000 1.144 35 T CA -0.029 61.885 62.100 -0.311 0.000 1.010 35 T CB 1.252 70.063 68.868 -0.096 0.000 1.325 35 T HN 2.002 nan 8.240 nan 0.000 0.515 36 S N -0.760 114.900 115.700 -0.067 0.000 2.595 36 S HA 0.756 5.225 4.470 -0.000 0.000 0.281 36 S C 1.322 175.869 174.600 -0.088 0.000 1.117 36 S CA -0.358 57.703 58.200 -0.232 0.000 0.873 36 S CB 1.330 63.964 63.200 -0.943 0.000 1.108 36 S HN 1.374 nan 8.310 nan 0.000 0.477 37 A N 1.158 123.993 122.820 0.025 0.000 1.858 37 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 37 A C 1.858 179.496 177.584 0.090 0.000 1.190 37 A CA 1.809 53.940 52.037 0.156 0.000 0.617 37 A CB -1.610 17.560 19.000 0.282 0.000 0.827 37 A HN 1.099 nan 8.150 nan 0.000 0.443 38 Y N 0.678 120.981 120.300 0.005 0.000 2.274 38 Y HA -0.205 4.344 4.550 -0.000 0.000 0.290 38 Y C 2.457 178.241 175.900 -0.193 0.000 1.145 38 Y CA 2.196 60.276 58.100 -0.034 0.000 1.203 38 Y CB -0.193 38.314 38.460 0.078 0.000 0.984 38 Y HN 0.468 nan 8.280 nan 0.000 0.533 39 Q N -0.614 119.001 119.800 -0.308 0.000 2.311 39 Q HA 0.005 4.344 4.340 -0.000 0.000 0.203 39 Q C 1.849 177.724 176.000 -0.209 0.000 0.954 39 Q CA 1.561 57.141 55.803 -0.372 0.000 0.885 39 Q CB 0.147 28.602 28.738 -0.472 0.000 0.963 39 Q HN 0.771 nan 8.270 nan 0.000 0.471 40 I N -4.435 116.047 120.570 -0.147 0.000 4.471 40 I HA 0.178 4.348 4.170 -0.000 0.000 0.326 40 I C 1.521 177.616 176.117 -0.037 0.000 1.300 40 I CA 0.027 61.286 61.300 -0.068 0.000 1.237 40 I CB 0.277 38.258 38.000 -0.031 0.000 1.195 40 I HN -0.130 nan 8.210 nan 0.000 0.427 41 E N 2.315 122.488 120.200 -0.045 0.000 2.072 41 E HA 0.165 4.515 4.350 -0.000 0.000 0.190 41 E C 1.552 178.121 176.600 -0.051 0.000 0.982 41 E CA 0.980 57.371 56.400 -0.014 0.000 0.803 41 E CB -0.158 29.540 29.700 -0.003 0.000 0.755 41 E HN 0.651 nan 8.360 nan 0.000 0.453 42 G N 0.761 109.505 108.800 -0.094 0.000 2.552 42 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.265 42 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.265 42 G C 0.423 175.289 174.900 -0.056 0.000 1.234 42 G CA 0.281 45.357 45.100 -0.039 0.000 0.944 42 G HN 1.004 nan 8.290 nan 0.000 0.568 43 A N -1.456 121.360 122.820 -0.007 0.000 2.640 43 A HA -0.165 4.155 4.320 -0.000 0.000 0.300 43 A C 1.347 178.801 177.584 -0.216 0.000 1.499 43 A CA 2.016 53.949 52.037 -0.174 0.000 0.759 43 A CB -2.134 16.503 19.000 -0.606 0.000 1.048 43 A HN 2.390 nan 8.150 nan 0.000 0.450 44 W N 0.602 121.839 121.300 -0.105 0.000 2.465 44 W HA -0.072 4.588 4.660 -0.000 0.000 0.268 44 W C 0.648 177.164 176.519 -0.005 0.000 1.242 44 W CA 1.292 58.622 57.345 -0.026 0.000 1.248 44 W CB -0.625 28.884 29.460 0.082 0.000 1.118 44 W HN 1.015 nan 8.180 nan 0.000 0.587 45 N N -0.078 117.996 118.700 -1.044 0.000 2.377 45 N HA 0.101 4.841 4.740 -0.000 0.000 0.259 45 N C -0.748 174.438 175.510 -0.540 0.000 1.332 45 N CA -0.236 52.231 53.050 -0.972 0.000 0.877 45 N CB -0.578 36.935 38.487 -1.624 0.000 1.299 45 N HN 0.150 nan 8.380 nan 0.000 0.501 46 E N 0.553 120.499 120.200 -0.425 0.000 2.319 46 E HA 0.178 4.528 4.350 -0.000 0.000 0.268 46 E C -0.561 175.905 176.600 -0.223 0.000 1.050 46 E CA -0.446 55.788 56.400 -0.276 0.000 0.878 46 E CB 0.567 30.117 29.700 -0.251 0.000 1.066 46 E HN 0.061 nan 8.360 nan 0.000 0.406 47 D N 1.781 122.125 120.400 -0.093 0.000 2.751 47 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 47 D C 0.637 176.917 176.300 -0.034 0.000 1.149 47 D CA 1.494 55.483 54.000 -0.018 0.000 0.682 47 D CB -1.342 39.505 40.800 0.079 0.000 1.068 47 D HN 0.876 nan 8.370 nan 0.000 0.429 48 G N -0.300 108.459 108.800 -0.068 0.000 2.176 48 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.253 48 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.253 48 G C 0.379 175.248 174.900 -0.053 0.000 0.979 48 G CA 0.569 45.640 45.100 -0.047 0.000 0.641 48 G HN 0.650 nan 8.290 nan 0.000 0.530 49 K N 1.138 121.480 120.400 -0.096 0.000 2.484 49 K HA 0.434 4.754 4.320 -0.000 0.000 0.280 49 K C 1.139 177.706 176.600 -0.055 0.000 1.013 49 K CA 0.408 56.654 56.287 -0.069 0.000 1.029 49 K CB -0.016 32.409 32.500 -0.124 0.000 0.902 49 K HN 0.375 nan 8.250 nan 0.000 0.481 50 G N 4.227 113.031 108.800 0.008 0.000 2.504 50 G HA2 0.323 4.283 3.960 -0.000 0.000 0.288 50 G HA3 0.323 4.283 3.960 -0.000 0.000 0.288 50 G C -2.501 172.460 174.900 0.103 0.000 1.182 50 G CA -1.359 43.758 45.100 0.029 0.000 0.894 50 G HN 0.559 nan 8.290 nan 0.000 0.521 51 P HA 0.183 nan 4.420 nan 0.000 0.279 51 P C 0.055 177.465 177.300 0.183 0.000 1.239 51 P CA -0.207 63.061 63.100 0.280 0.000 0.789 51 P CB 1.529 33.426 31.700 0.329 0.000 0.933 52 S N 0.547 116.382 115.700 0.223 0.000 2.730 52 S HA 0.278 4.748 4.470 -0.000 0.000 0.284 52 S C 1.521 176.197 174.600 0.126 0.000 1.153 52 S CA 0.072 58.367 58.200 0.159 0.000 0.995 52 S CB -0.155 63.182 63.200 0.228 0.000 1.058 52 S HN 0.537 nan 8.310 nan 0.000 0.552 53 T N -2.292 112.309 114.554 0.079 0.000 2.849 53 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 53 T C 1.163 175.804 174.700 -0.100 0.000 1.066 53 T CA 1.095 63.181 62.100 -0.023 0.000 1.130 53 T CB -0.708 68.108 68.868 -0.086 0.000 0.864 53 T HN 0.709 nan 8.240 nan 0.000 0.481 54 W N 1.954 123.199 121.300 -0.092 0.000 2.409 54 W HA 0.080 4.739 4.660 -0.000 0.000 0.299 54 W C 2.227 178.563 176.519 -0.305 0.000 1.203 54 W CA 0.591 57.758 57.345 -0.297 0.000 1.298 54 W CB -0.129 28.820 29.460 -0.853 0.000 1.127 54 W HN 0.179 nan 8.180 nan 0.000 0.528 55 D N -1.153 119.231 120.400 -0.026 0.000 2.116 55 D HA -0.280 4.360 4.640 -0.000 0.000 0.193 55 D C 1.647 177.764 176.300 -0.304 0.000 0.998 55 D CA 2.087 55.966 54.000 -0.200 0.000 0.836 55 D CB -0.815 40.057 40.800 0.120 0.000 0.951 55 D HN 0.309 nan 8.370 nan 0.000 0.449 56 H N -0.628 118.398 119.070 -0.074 0.000 2.321 56 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 56 H C 1.955 177.302 175.328 0.032 0.000 1.087 56 H CA 1.547 57.596 56.048 0.001 0.000 1.319 56 H CB -0.306 29.479 29.762 0.039 0.000 1.379 56 H HN 0.051 nan 8.280 nan 0.000 0.501 57 F N 0.254 120.208 119.950 0.007 0.000 2.113 57 F HA -0.193 4.333 4.527 -0.000 0.000 0.297 57 F C 2.360 178.215 175.800 0.092 0.000 1.103 57 F CA 1.462 59.498 58.000 0.059 0.000 1.248 57 F CB -0.925 37.895 39.000 -0.300 0.000 0.999 57 F HN 0.293 nan 8.300 nan 0.000 0.475 58 C N -0.179 119.157 119.300 0.059 0.000 2.425 58 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 58 C C 2.636 177.594 174.990 -0.054 0.000 1.280 58 C CA 1.516 60.547 59.018 0.022 0.000 1.744 58 C CB -1.810 25.980 27.740 0.083 0.000 1.989 58 C HN 0.544 nan 8.230 nan 0.000 0.491 59 H N -0.348 118.631 119.070 -0.152 0.000 2.470 59 H HA -0.007 4.549 4.556 -0.000 0.000 0.289 59 H C 1.889 177.031 175.328 -0.311 0.000 1.033 59 H CA 0.740 56.645 56.048 -0.239 0.000 1.331 59 H CB 0.055 29.642 29.762 -0.292 0.000 1.414 59 H HN 0.549 nan 8.280 nan 0.000 0.545 60 N N -0.045 118.451 118.700 -0.340 0.000 2.368 60 N HA 0.007 4.747 4.740 -0.000 0.000 0.178 60 N C -0.524 174.455 175.510 -0.885 0.000 1.076 60 N CA 0.491 53.133 53.050 -0.680 0.000 0.889 60 N CB 0.762 38.660 38.487 -0.981 0.000 1.040 60 N HN 0.189 nan 8.380 nan 0.000 0.463 61 F N 0.789 120.609 119.950 -0.217 0.000 2.577 61 F HA 0.354 4.881 4.527 -0.000 0.000 0.342 61 F C -1.750 173.967 175.800 -0.139 0.000 1.479 61 F CA -1.497 56.400 58.000 -0.173 0.000 1.110 61 F CB 1.474 40.255 39.000 -0.365 0.000 1.306 61 F HN -0.146 nan 8.300 nan 0.000 0.554 62 P HA -0.230 nan 4.420 nan 0.000 0.219 62 P C 1.312 178.651 177.300 0.065 0.000 1.146 62 P CA 1.505 64.644 63.100 0.064 0.000 0.808 62 P CB 0.207 31.930 31.700 0.039 0.000 0.779 63 E N -0.723 119.494 120.200 0.029 0.000 2.409 63 E HA -0.170 4.180 4.350 -0.000 0.000 0.198 63 E C 0.934 177.395 176.600 -0.232 0.000 1.024 63 E CA 0.768 57.096 56.400 -0.120 0.000 0.861 63 E CB -0.981 28.593 29.700 -0.209 0.000 0.788 63 E HN 0.395 nan 8.360 nan 0.000 0.521 64 W N 0.895 122.195 121.300 0.001 0.000 3.239 64 W HA 0.317 4.977 4.660 -0.000 0.000 0.348 64 W C 0.070 176.650 176.519 0.101 0.000 1.183 64 W CA -0.588 56.764 57.345 0.011 0.000 1.819 64 W CB 0.614 30.023 29.460 -0.085 0.000 1.091 64 W HN -0.150 nan 8.180 nan 0.000 0.629 65 I N 0.431 121.157 120.570 0.259 0.000 2.377 65 I HA 0.093 4.263 4.170 -0.000 0.000 0.293 65 I C 1.314 177.532 176.117 0.167 0.000 0.987 65 I CA -0.822 60.644 61.300 0.275 0.000 1.185 65 I CB 1.188 39.390 38.000 0.337 0.000 1.341 65 I HN -0.263 nan 8.210 nan 0.000 0.455 66 V N 4.367 124.368 119.914 0.145 0.000 2.317 66 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 66 V C 1.442 177.589 176.094 0.089 0.000 1.065 66 V CA 2.429 64.788 62.300 0.098 0.000 1.049 66 V CB -0.642 31.236 31.823 0.092 0.000 0.651 66 V HN 0.919 nan 8.190 nan 0.000 0.450 67 D N -0.744 119.726 120.400 0.118 0.000 2.424 67 D HA 0.215 4.855 4.640 -0.000 0.000 0.220 67 D C 1.004 177.391 176.300 0.146 0.000 1.150 67 D CA 0.444 54.519 54.000 0.126 0.000 0.831 67 D CB -0.518 40.374 40.800 0.153 0.000 0.981 67 D HN 0.417 nan 8.370 nan 0.000 0.500 68 R N 0.001 120.590 120.500 0.148 0.000 3.516 68 R HA -0.158 4.182 4.340 -0.000 0.000 0.271 68 R C 0.602 177.019 176.300 0.195 0.000 1.098 68 R CA 1.176 57.363 56.100 0.146 0.000 0.732 68 R CB -3.418 nan 30.300 nan 0.000 1.152 68 R HN 0.790 nan 8.270 nan 0.000 0.455 69 S N -0.731 115.147 115.700 0.296 0.000 2.745 69 S HA 0.798 5.268 4.470 -0.000 0.000 0.292 69 S C 0.221 175.060 174.600 0.400 0.000 1.127 69 S CA -0.140 58.283 58.200 0.372 0.000 1.007 69 S CB 1.603 65.140 63.200 0.562 0.000 1.165 69 S HN 1.659 nan 8.310 nan 0.000 0.544 70 N N -2.176 116.693 118.700 0.283 0.000 2.853 70 N HA 0.535 5.275 4.740 -0.000 0.000 0.258 70 N C -0.097 175.168 175.510 -0.408 0.000 1.444 70 N CA -0.673 52.336 53.050 -0.068 0.000 0.837 70 N CB 0.473 38.956 38.487 -0.007 0.000 1.489 70 N HN 0.729 nan 8.380 nan 0.000 0.529 71 G N -1.224 107.125 108.800 -0.752 0.000 3.448 71 G HA2 0.063 4.022 3.960 -0.000 0.000 0.261 71 G HA3 0.063 4.022 3.960 -0.000 0.000 0.261 71 G C -0.194 174.447 174.900 -0.433 0.000 1.173 71 G CA -0.232 44.331 45.100 -0.895 0.000 0.835 71 G HN 0.566 nan 8.290 nan 0.000 0.534 72 D N 0.298 120.583 120.400 -0.191 0.000 2.133 72 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 72 D C 2.371 178.738 176.300 0.111 0.000 0.997 72 D CA 1.058 55.061 54.000 0.005 0.000 0.840 72 D CB 0.303 41.111 40.800 0.014 0.000 0.947 72 D HN 0.297 nan 8.370 nan 0.000 0.452 73 V N -0.748 119.179 119.914 0.023 0.000 3.090 73 V HA 0.383 4.503 4.120 -0.000 0.000 0.237 73 V C 1.268 177.355 176.094 -0.011 0.000 1.209 73 V CA 0.595 62.913 62.300 0.030 0.000 1.209 73 V CB -0.055 31.779 31.823 0.018 0.000 0.971 73 V HN 0.328 nan 8.190 nan 0.000 0.477 74 A N 1.138 123.957 122.820 -0.001 0.000 5.382 74 A HA -0.285 4.035 4.320 -0.000 0.000 0.307 74 A C 1.557 179.152 177.584 0.019 0.000 1.937 74 A CA 1.784 53.865 52.037 0.073 0.000 0.715 74 A CB -1.999 16.957 19.000 -0.074 0.000 1.293 74 A HN 1.555 nan 8.150 nan 0.000 0.374 75 A N -0.859 121.967 122.820 0.011 0.000 2.345 75 A HA 0.437 4.757 4.320 -0.000 0.000 0.225 75 A C 0.745 178.334 177.584 0.009 0.000 1.243 75 A CA 1.853 53.885 52.037 -0.010 0.000 0.875 75 A CB -0.413 18.576 19.000 -0.017 0.000 0.929 75 A HN 2.144 nan 8.150 nan 0.000 0.502 76 D N -1.187 119.230 120.400 0.029 0.000 2.772 76 D HA -0.148 4.492 4.640 -0.000 0.000 0.233 76 D C 0.902 177.260 176.300 0.096 0.000 1.143 76 D CA 1.071 55.126 54.000 0.091 0.000 0.700 76 D CB -1.580 39.289 40.800 0.116 0.000 1.076 76 D HN 0.291 nan 8.370 nan 0.000 0.430 77 S N -1.224 114.520 115.700 0.072 0.000 2.481 77 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 77 S C 1.355 176.055 174.600 0.167 0.000 0.996 77 S CA 0.556 58.831 58.200 0.124 0.000 0.942 77 S CB -0.201 63.079 63.200 0.133 0.000 0.768 77 S HN 0.578 nan 8.310 nan 0.000 0.520 78 Y N 2.160 122.333 120.300 -0.213 0.000 2.207 78 Y HA -0.213 4.337 4.550 -0.000 0.000 0.287 78 Y C 2.201 177.879 175.900 -0.370 0.000 1.156 78 Y CA 1.746 59.457 58.100 -0.647 0.000 1.182 78 Y CB -0.182 37.761 38.460 -0.862 0.000 0.979 78 Y HN 0.424 nan 8.280 nan 0.000 0.521 79 H N -1.966 117.153 119.070 0.082 0.000 2.553 79 H HA 0.206 4.762 4.556 -0.000 0.000 0.276 79 H C 1.301 176.648 175.328 0.032 0.000 0.979 79 H CA 1.055 57.130 56.048 0.045 0.000 1.268 79 H CB 0.054 29.837 29.762 0.035 0.000 1.450 79 H HN 0.392 nan 8.280 nan 0.000 0.527 80 M N 1.255 120.933 119.600 0.129 0.000 2.475 80 M HA 0.079 4.559 4.480 -0.000 0.000 0.283 80 M C 1.173 177.429 176.300 -0.073 0.000 1.165 80 M CA -0.342 54.953 55.300 -0.010 0.000 0.976 80 M CB 0.137 32.743 32.600 0.010 0.000 1.428 80 M HN 0.153 nan 8.290 nan 0.000 0.495 81 Y N -0.089 120.207 120.300 -0.006 0.000 2.241 81 Y HA -0.098 4.452 4.550 -0.000 0.000 0.286 81 Y C 2.140 177.979 175.900 -0.100 0.000 1.166 81 Y CA 1.443 59.512 58.100 -0.052 0.000 1.203 81 Y CB -1.103 37.317 38.460 -0.067 0.000 0.977 81 Y HN 0.205 nan 8.280 nan 0.000 0.529 82 A N 0.865 123.173 122.820 -0.853 0.000 1.972 82 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 82 A C 2.160 179.582 177.584 -0.270 0.000 1.169 82 A CA 1.601 53.319 52.037 -0.532 0.000 0.635 82 A CB -0.519 18.141 19.000 -0.567 0.000 0.810 82 A HN 0.521 nan 8.150 nan 0.000 0.446 83 E N 0.501 120.564 120.200 -0.229 0.000 2.106 83 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 83 E C 1.408 177.926 176.600 -0.138 0.000 0.984 83 E CA 1.264 57.576 56.400 -0.148 0.000 0.806 83 E CB -0.342 29.290 29.700 -0.112 0.000 0.750 83 E HN 0.588 nan 8.360 nan 0.000 0.458 84 D N 0.471 120.785 120.400 -0.144 0.000 2.092 84 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 84 D C 2.182 178.334 176.300 -0.246 0.000 0.994 84 D CA 0.903 54.790 54.000 -0.188 0.000 0.828 84 D CB -0.460 40.228 40.800 -0.186 0.000 0.963 84 D HN 0.019 nan 8.370 nan 0.000 0.450 85 V N 1.036 120.822 119.914 -0.213 0.000 2.287 85 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 85 V C 2.574 178.585 176.094 -0.138 0.000 1.053 85 V CA 1.811 64.002 62.300 -0.183 0.000 1.027 85 V CB -0.544 31.213 31.823 -0.111 0.000 0.646 85 V HN 0.162 nan 8.190 nan 0.000 0.447 86 R N -0.071 120.354 120.500 -0.125 0.000 2.091 86 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 86 R C 2.276 178.522 176.300 -0.089 0.000 1.136 86 R CA 1.828 57.870 56.100 -0.096 0.000 0.959 86 R CB -0.337 29.908 30.300 -0.093 0.000 0.856 86 R HN 0.468 nan 8.270 nan 0.000 0.437 87 L N 0.554 121.715 121.223 -0.104 0.000 2.056 87 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 87 L C 2.484 179.301 176.870 -0.088 0.000 1.078 87 L CA 1.085 55.872 54.840 -0.088 0.000 0.749 87 L CB -0.361 41.644 42.059 -0.091 0.000 0.901 87 L HN 0.238 nan 8.230 nan 0.000 0.433 88 L N -0.254 120.890 121.223 -0.131 0.000 2.042 88 L HA -0.241 4.098 4.340 -0.000 0.000 0.210 88 L C 2.692 179.528 176.870 -0.056 0.000 1.076 88 L CA 1.169 55.944 54.840 -0.109 0.000 0.749 88 L CB -0.441 41.508 42.059 -0.183 0.000 0.893 88 L HN 0.184 nan 8.230 nan 0.000 0.432 89 K N 0.636 121.000 120.400 -0.060 0.000 2.025 89 K HA -0.175 4.144 4.320 -0.000 0.000 0.207 89 K C 1.902 178.482 176.600 -0.033 0.000 1.049 89 K CA 1.550 57.815 56.287 -0.037 0.000 0.933 89 K CB -0.148 32.329 32.500 -0.039 0.000 0.714 89 K HN 0.272 nan 8.250 nan 0.000 0.438 90 E N -0.408 119.767 120.200 -0.041 0.000 2.153 90 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 90 E C 1.765 178.345 176.600 -0.034 0.000 0.988 90 E CA 1.227 57.605 56.400 -0.037 0.000 0.811 90 E CB -0.092 29.585 29.700 -0.038 0.000 0.746 90 E HN 0.364 nan 8.360 nan 0.000 0.466 91 M N -0.709 118.873 119.600 -0.030 0.000 2.595 91 M HA 0.053 4.533 4.480 -0.000 0.000 0.248 91 M C 1.065 177.353 176.300 -0.020 0.000 1.119 91 M CA 0.624 55.910 55.300 -0.023 0.000 1.079 91 M CB 0.495 33.090 32.600 -0.008 0.000 1.472 91 M HN 0.254 nan 8.290 nan 0.000 0.501 92 G N 1.173 109.963 108.800 -0.016 0.000 2.160 92 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.251 92 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.251 92 G C 0.132 175.050 174.900 0.029 0.000 1.008 92 G CA -0.163 44.934 45.100 -0.007 0.000 0.724 92 G HN 0.309 nan 8.290 nan 0.000 0.514 93 M N 0.458 120.083 119.600 0.041 0.000 2.248 93 M HA 0.181 4.661 4.480 -0.000 0.000 0.337 93 M C 1.098 177.446 176.300 0.080 0.000 1.121 93 M CA 0.234 55.583 55.300 0.080 0.000 1.155 93 M CB 0.254 32.899 32.600 0.075 0.000 1.514 93 M HN 0.103 nan 8.290 nan 0.000 0.452 94 D N 0.877 121.333 120.400 0.094 0.000 2.305 94 D HA 0.277 4.917 4.640 -0.000 0.000 0.206 94 D C 0.273 176.624 176.300 0.086 0.000 0.974 94 D CA 0.577 54.626 54.000 0.082 0.000 0.871 94 D CB 0.601 41.447 40.800 0.077 0.000 0.947 94 D HN 0.624 nan 8.370 nan 0.000 0.516 95 A N -0.092 122.778 122.820 0.084 0.000 2.610 95 A HA 0.521 4.840 4.320 -0.000 0.000 0.291 95 A C -2.118 175.687 177.584 0.368 0.000 1.086 95 A CA -0.638 51.510 52.037 0.184 0.000 0.677 95 A CB 1.867 20.882 19.000 0.026 0.000 1.278 95 A HN 0.014 nan 8.150 nan 0.000 0.414 96 Y N 0.638 121.135 120.300 0.328 0.000 2.401 96 Y HA 0.638 5.188 4.550 -0.000 0.000 0.330 96 Y C -0.496 175.586 175.900 0.304 0.000 1.071 96 Y CA -0.838 57.460 58.100 0.329 0.000 1.049 96 Y CB 1.532 40.138 38.460 0.243 0.000 1.239 96 Y HN 0.841 nan 8.280 nan 0.000 0.437 97 R N 7.200 127.611 120.500 -0.149 0.000 2.255 97 R HA 0.632 4.971 4.340 -0.000 0.000 0.326 97 R C -1.693 174.257 176.300 -0.584 0.000 0.986 97 R CA -0.337 55.467 56.100 -0.493 0.000 0.847 97 R CB 0.429 30.280 30.300 -0.748 0.000 1.111 97 R HN 0.571 nan 8.270 nan 0.000 0.452 98 F N 0.775 120.346 119.950 -0.633 0.000 2.650 98 F HA 0.664 5.191 4.527 -0.000 0.000 0.320 98 F C -1.006 174.640 175.800 -0.257 0.000 1.091 98 F CA -1.127 56.577 58.000 -0.492 0.000 0.962 98 F CB 1.407 40.057 39.000 -0.582 0.000 1.363 98 F HN 0.422 nan 8.300 nan 0.000 0.482 99 S N 0.884 116.592 115.700 0.013 0.000 2.607 99 S HA 0.785 5.255 4.470 -0.000 0.000 0.303 99 S C -1.017 173.641 174.600 0.097 0.000 1.086 99 S CA -0.754 57.427 58.200 -0.033 0.000 0.995 99 S CB 1.562 64.781 63.200 0.032 0.000 1.084 99 S HN 0.720 nan 8.310 nan 0.000 0.507 100 I N 2.168 122.722 120.570 -0.026 0.000 2.359 100 I HA 0.303 4.473 4.170 -0.000 0.000 0.294 100 I C 0.401 176.664 176.117 0.242 0.000 0.987 100 I CA -0.497 60.716 61.300 -0.145 0.000 1.225 100 I CB 1.905 39.727 38.000 -0.296 0.000 1.366 100 I HN 0.759 nan 8.210 nan 0.000 0.466 101 S N 6.450 122.363 115.700 0.355 0.000 2.430 101 S HA -0.001 4.469 4.470 -0.000 0.000 0.282 101 S C 0.863 175.649 174.600 0.310 0.000 1.186 101 S CA -0.388 58.039 58.200 0.379 0.000 1.060 101 S CB 0.214 63.648 63.200 0.390 0.000 0.966 101 S HN 0.689 nan 8.310 nan 0.000 0.501 102 W N 7.575 128.798 121.300 -0.127 0.000 2.301 102 W HA -0.071 4.589 4.660 -0.000 0.000 0.325 102 W C -1.339 174.970 176.519 -0.349 0.000 1.250 102 W CA 1.653 58.497 57.345 -0.835 0.000 1.261 102 W CB -1.757 27.284 29.460 -0.698 0.000 1.157 102 W HN 0.632 nan 8.180 nan 0.000 0.473 103 P HA -0.114 nan 4.420 nan 0.000 0.233 103 P C 1.591 178.961 177.300 0.116 0.000 1.167 103 P CA 1.445 64.576 63.100 0.052 0.000 0.770 103 P CB -0.343 31.375 31.700 0.030 0.000 0.837 104 R N -0.231 120.380 120.500 0.184 0.000 2.115 104 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 104 R C 1.910 178.364 176.300 0.258 0.000 1.100 104 R CA 0.853 57.075 56.100 0.204 0.000 0.980 104 R CB -0.182 30.285 30.300 0.278 0.000 0.875 104 R HN 0.060 nan 8.270 nan 0.000 0.445 105 I N 0.416 121.165 120.570 0.299 0.000 2.494 105 I HA -0.025 4.145 4.170 -0.000 0.000 0.250 105 I C 0.731 176.983 176.117 0.225 0.000 1.112 105 I CA 0.942 62.433 61.300 0.318 0.000 1.438 105 I CB -0.194 38.074 38.000 0.446 0.000 1.111 105 I HN 0.066 nan 8.210 nan 0.000 0.431 106 L N 1.751 123.095 121.223 0.202 0.000 2.408 106 L HA 0.268 4.608 4.340 -0.000 0.000 0.257 106 L C -1.758 175.171 176.870 0.097 0.000 1.053 106 L CA -1.267 53.676 54.840 0.171 0.000 0.922 106 L CB 1.440 43.651 42.059 0.253 0.000 1.261 106 L HN -0.135 nan 8.230 nan 0.000 0.458 107 P HA -0.155 nan 4.420 nan 0.000 0.218 107 P C 0.820 178.118 177.300 -0.003 0.000 1.148 107 P CA 1.380 64.499 63.100 0.031 0.000 0.822 107 P CB 0.220 31.937 31.700 0.029 0.000 0.784 108 K N -2.142 118.261 120.400 0.004 0.000 2.374 108 K HA 0.294 4.614 4.320 -0.000 0.000 0.196 108 K C 1.244 177.813 176.600 -0.052 0.000 1.023 108 K CA 0.570 56.844 56.287 -0.021 0.000 1.103 108 K CB -0.067 32.437 32.500 0.006 0.000 0.848 108 K HN 0.085 nan 8.250 nan 0.000 0.528 109 G N 1.763 110.530 108.800 -0.056 0.000 2.225 109 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.254 109 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.254 109 G C 0.377 175.406 174.900 0.215 0.000 0.988 109 G CA 0.812 45.851 45.100 -0.102 0.000 0.625 109 G HN 0.434 nan 8.290 nan 0.000 0.527 110 T N -2.180 112.469 114.554 0.159 0.000 2.924 110 T HA 0.732 5.082 4.350 -0.000 0.000 0.291 110 T C 1.268 176.054 174.700 0.144 0.000 1.045 110 T CA -0.276 61.930 62.100 0.176 0.000 1.015 110 T CB 1.982 70.925 68.868 0.125 0.000 1.103 110 T HN 0.149 nan 8.240 nan 0.000 0.496 111 L N 0.993 122.289 121.223 0.122 0.000 2.046 111 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 111 L C 2.943 179.852 176.870 0.064 0.000 1.077 111 L CA 2.363 57.252 54.840 0.082 0.000 0.747 111 L CB -1.363 40.729 42.059 0.055 0.000 0.896 111 L HN 1.016 nan 8.230 nan 0.000 0.432 112 A N -0.309 122.548 122.820 0.062 0.000 1.978 112 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 112 A C 2.230 179.841 177.584 0.046 0.000 1.170 112 A CA 1.560 53.626 52.037 0.048 0.000 0.636 112 A CB -0.993 18.035 19.000 0.047 0.000 0.810 112 A HN 0.497 nan 8.150 nan 0.000 0.448 113 G N -1.288 107.545 108.800 0.054 0.000 2.598 113 G HA2 0.402 4.362 3.960 -0.000 0.000 0.215 113 G HA3 0.402 4.362 3.960 -0.000 0.000 0.215 113 G C 0.922 175.851 174.900 0.047 0.000 1.131 113 G CA 0.704 45.831 45.100 0.046 0.000 0.785 113 G HN 1.740 nan 8.290 nan 0.000 0.539 114 G N -0.849 107.984 108.800 0.055 0.000 2.712 114 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 114 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 114 G C -0.496 174.446 174.900 0.070 0.000 1.181 114 G CA -0.625 44.507 45.100 0.053 0.000 0.762 114 G HN 0.416 nan 8.290 nan 0.000 0.641 115 I N 1.314 121.925 120.570 0.068 0.000 2.371 115 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 115 I C 0.567 176.738 176.117 0.091 0.000 1.028 115 I CA -0.756 60.596 61.300 0.087 0.000 1.345 115 I CB 1.421 39.462 38.000 0.068 0.000 1.407 115 I HN 0.512 nan 8.210 nan 0.000 0.501 116 N N 5.171 123.942 118.700 0.118 0.000 2.415 116 N HA -0.016 4.723 4.740 -0.000 0.000 0.250 116 N C 0.702 176.295 175.510 0.138 0.000 1.127 116 N CA 0.179 53.298 53.050 0.116 0.000 0.945 116 N CB 0.800 39.359 38.487 0.120 0.000 1.196 116 N HN 0.435 nan 8.380 nan 0.000 0.499 117 E N 3.240 123.505 120.200 0.109 0.000 2.204 117 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 117 E C 0.933 177.615 176.600 0.135 0.000 0.989 117 E CA 1.329 57.797 56.400 0.113 0.000 0.824 117 E CB 0.212 29.959 29.700 0.079 0.000 0.756 117 E HN 0.600 nan 8.360 nan 0.000 0.477 118 K N -0.774 119.704 120.400 0.130 0.000 2.097 118 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 118 K C 2.490 179.217 176.600 0.211 0.000 1.050 118 K CA 1.459 57.834 56.287 0.147 0.000 0.938 118 K CB -0.122 32.457 32.500 0.131 0.000 0.718 118 K HN 0.066 nan 8.250 nan 0.000 0.442 119 R N 1.106 121.748 120.500 0.236 0.000 2.073 119 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 119 R C 2.294 178.863 176.300 0.448 0.000 1.134 119 R CA 1.805 58.105 56.100 0.333 0.000 0.952 119 R CB -1.612 nan 30.300 nan 0.000 0.850 119 R HN 0.024 nan 8.270 nan 0.000 0.433 120 V N 1.108 121.267 119.914 0.408 0.000 2.343 120 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 120 V C 2.531 178.879 176.094 0.424 0.000 1.051 120 V CA 2.306 64.905 62.300 0.498 0.000 1.036 120 V CB -0.482 31.503 31.823 0.271 0.000 0.654 120 V HN 0.744 nan 8.190 nan 0.000 0.451 121 E N -0.812 119.536 120.200 0.247 0.000 2.110 121 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 121 E C 2.163 178.789 176.600 0.044 0.000 0.988 121 E CA 1.577 58.064 56.400 0.145 0.000 0.804 121 E CB -0.243 29.515 29.700 0.097 0.000 0.745 121 E HN 0.712 nan 8.360 nan 0.000 0.458 122 Y N 0.224 120.445 120.300 -0.131 0.000 2.097 122 Y HA -0.311 4.238 4.550 -0.000 0.000 0.282 122 Y C 1.677 177.277 175.900 -0.500 0.000 1.152 122 Y CA 2.059 59.892 58.100 -0.446 0.000 1.136 122 Y CB -0.711 37.441 38.460 -0.513 0.000 0.975 122 Y HN 0.118 nan 8.280 nan 0.000 0.498 123 Y N 0.338 120.449 120.300 -0.315 0.000 2.242 123 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 123 Y C 2.519 178.165 175.900 -0.424 0.000 1.137 123 Y CA 1.442 59.216 58.100 -0.543 0.000 1.181 123 Y CB -0.882 37.272 38.460 -0.510 0.000 0.989 123 Y HN 0.193 nan 8.280 nan 0.000 0.527 124 N N 0.512 119.242 118.700 0.051 0.000 2.104 124 N HA -0.171 4.568 4.740 -0.000 0.000 0.190 124 N C 1.618 177.087 175.510 -0.070 0.000 1.024 124 N CA 1.433 54.545 53.050 0.104 0.000 0.853 124 N CB -0.224 38.399 38.487 0.226 0.000 1.008 124 N HN 0.409 nan 8.380 nan 0.000 0.424 125 K N 0.333 120.609 120.400 -0.207 0.000 2.097 125 K HA -0.090 4.229 4.320 -0.000 0.000 0.205 125 K C 1.952 178.381 176.600 -0.285 0.000 1.050 125 K CA 0.537 56.690 56.287 -0.224 0.000 0.938 125 K CB -0.190 32.134 32.500 -0.294 0.000 0.718 125 K HN 0.059 nan 8.250 nan 0.000 0.442 126 L N 1.578 122.451 121.223 -0.583 0.000 2.027 126 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 126 L C 1.916 178.646 176.870 -0.233 0.000 1.074 126 L CA 1.481 56.031 54.840 -0.484 0.000 0.745 126 L CB -0.294 41.256 42.059 -0.848 0.000 0.898 126 L HN 0.082 nan 8.230 nan 0.000 0.433 127 I N 0.002 120.460 120.570 -0.186 0.000 2.163 127 I HA -0.315 3.854 4.170 -0.000 0.000 0.243 127 I C 2.113 178.233 176.117 0.006 0.000 1.085 127 I CA 1.560 62.841 61.300 -0.031 0.000 1.347 127 I CB -0.625 37.380 38.000 0.008 0.000 1.044 127 I HN 0.299 nan 8.210 nan 0.000 0.408 128 D N 0.536 120.937 120.400 0.001 0.000 2.123 128 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 128 D C 2.007 178.321 176.300 0.024 0.000 0.992 128 D CA 1.188 55.203 54.000 0.025 0.000 0.833 128 D CB -0.341 40.475 40.800 0.027 0.000 0.954 128 D HN 0.143 nan 8.370 nan 0.000 0.455 129 L N 0.524 121.760 121.223 0.020 0.000 2.046 129 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 129 L C 2.222 179.103 176.870 0.019 0.000 1.077 129 L CA 1.257 56.114 54.840 0.029 0.000 0.747 129 L CB -0.637 41.461 42.059 0.064 0.000 0.896 129 L HN 0.030 nan 8.230 nan 0.000 0.432 130 L N -1.386 119.850 121.223 0.022 0.000 1.989 130 L HA -0.284 4.055 4.340 -0.000 0.000 0.211 130 L C 2.501 179.403 176.870 0.053 0.000 1.071 130 L CA 1.577 56.445 54.840 0.046 0.000 0.749 130 L CB -0.651 41.469 42.059 0.102 0.000 0.890 130 L HN 0.264 nan 8.230 nan 0.000 0.431 131 L N -0.422 120.833 121.223 0.054 0.000 2.046 131 L HA -0.239 4.100 4.340 -0.000 0.000 0.208 131 L C 2.646 179.540 176.870 0.040 0.000 1.077 131 L CA 1.567 56.438 54.840 0.052 0.000 0.747 131 L CB -0.674 41.415 42.059 0.051 0.000 0.896 131 L HN 0.406 nan 8.230 nan 0.000 0.432 132 E N 0.811 121.030 120.200 0.032 0.000 2.209 132 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 132 E C 1.165 177.776 176.600 0.019 0.000 0.993 132 E CA 1.518 57.933 56.400 0.024 0.000 0.819 132 E CB -0.006 29.706 29.700 0.020 0.000 0.745 132 E HN 0.539 nan 8.360 nan 0.000 0.477 133 N N -0.793 117.919 118.700 0.019 0.000 2.230 133 N HA 0.161 4.901 4.740 -0.000 0.000 0.202 133 N C 0.305 175.829 175.510 0.024 0.000 1.119 133 N CA 0.531 53.589 53.050 0.013 0.000 0.851 133 N CB 1.324 39.810 38.487 -0.000 0.000 0.990 133 N HN 0.275 nan 8.380 nan 0.000 0.497 134 G N 0.746 109.568 108.800 0.036 0.000 2.147 134 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 134 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 134 G C -0.175 174.762 174.900 0.063 0.000 1.005 134 G CA -0.145 44.982 45.100 0.046 0.000 0.713 134 G HN 0.276 nan 8.290 nan 0.000 0.515 135 I N 0.367 120.981 120.570 0.074 0.000 2.339 135 I HA 0.414 4.583 4.170 -0.000 0.000 0.290 135 I C 0.248 176.452 176.117 0.145 0.000 0.994 135 I CA -0.956 60.408 61.300 0.108 0.000 1.191 135 I CB 1.692 39.753 38.000 0.103 0.000 1.343 135 I HN 0.089 nan 8.210 nan 0.000 0.458 136 E N 9.235 129.540 120.200 0.174 0.000 2.223 136 E HA 0.253 4.603 4.350 -0.000 0.000 0.282 136 E C -2.334 174.428 176.600 0.270 0.000 1.046 136 E CA -1.852 54.665 56.400 0.194 0.000 0.857 136 E CB 0.752 30.594 29.700 0.235 0.000 1.055 136 E HN 0.185 nan 8.360 nan 0.000 0.409 137 P HA 0.056 nan 4.420 nan 0.000 0.281 137 P C -1.257 175.998 177.300 -0.075 0.000 1.252 137 P CA -0.099 63.084 63.100 0.140 0.000 0.778 137 P CB 0.348 32.097 31.700 0.083 0.000 0.895 138 Y N 2.771 122.856 120.300 -0.359 0.000 2.345 138 Y HA 0.413 4.963 4.550 -0.000 0.000 0.331 138 Y C 0.580 176.003 175.900 -0.795 0.000 0.959 138 Y CA -0.572 57.204 58.100 -0.540 0.000 1.204 138 Y CB 1.175 39.341 38.460 -0.490 0.000 1.135 138 Y HN 0.213 nan 8.280 nan 0.000 0.477 139 I N 3.531 123.595 120.570 -0.844 0.000 2.354 139 I HA 0.267 4.436 4.170 -0.000 0.000 0.292 139 I C -0.131 175.696 176.117 -0.483 0.000 0.989 139 I CA -0.559 60.181 61.300 -0.933 0.000 1.188 139 I CB 1.614 38.922 38.000 -1.154 0.000 1.342 139 I HN 0.479 nan 8.210 nan 0.000 0.457 140 T N 6.941 121.262 114.554 -0.389 0.000 2.749 140 T HA 0.338 4.688 4.350 -0.000 0.000 0.295 140 T C 1.463 176.111 174.700 -0.087 0.000 0.936 140 T CA -0.220 61.782 62.100 -0.163 0.000 1.060 140 T CB 1.043 69.858 68.868 -0.088 0.000 0.904 140 T HN 0.382 nan 8.240 nan 0.000 0.500 141 I N 1.831 122.379 120.570 -0.036 0.000 2.286 141 I HA 0.057 4.227 4.170 -0.000 0.000 0.245 141 I C 0.504 176.746 176.117 0.208 0.000 1.104 141 I CA 1.130 62.388 61.300 -0.069 0.000 1.397 141 I CB 0.134 37.953 38.000 -0.302 0.000 1.072 141 I HN 0.471 nan 8.210 nan 0.000 0.417 142 F N -0.059 119.909 119.950 0.029 0.000 2.536 142 F HA 0.373 4.900 4.527 -0.000 0.000 0.322 142 F C -0.230 175.653 175.800 0.137 0.000 1.144 142 F CA -0.794 57.324 58.000 0.196 0.000 0.924 142 F CB 0.869 39.991 39.000 0.204 0.000 1.181 142 F HN -0.090 nan 8.300 nan 0.000 0.438 143 H N 6.534 125.268 119.070 -0.561 0.000 2.535 143 H HA 0.238 4.794 4.556 -0.000 0.000 0.232 143 H C -0.829 174.067 175.328 -0.720 0.000 1.405 143 H CA -0.182 55.487 56.048 -0.632 0.000 1.224 143 H CB 0.044 29.589 29.762 -0.362 0.000 1.763 143 H HN 0.754 nan 8.280 nan 0.000 0.529 144 W N 0.088 120.524 121.300 -1.440 0.000 1.432 144 W HA -0.218 4.442 4.660 -0.000 0.000 0.247 144 W C -0.399 176.017 176.519 -0.172 0.000 1.009 144 W CA 0.765 57.627 57.345 -0.805 0.000 0.410 144 W CB -2.171 27.116 29.460 -0.289 0.000 2.021 144 W HN 0.584 nan 8.180 nan 0.000 1.167 145 D N 0.617 121.000 120.400 -0.027 0.000 2.943 145 D HA 0.298 4.938 4.640 -0.000 0.000 0.249 145 D C 0.312 176.883 176.300 0.452 0.000 1.231 145 D CA -0.104 54.100 54.000 0.339 0.000 0.979 145 D CB -0.495 40.502 40.800 0.328 0.000 1.053 145 D HN -0.116 nan 8.370 nan 0.000 0.504 146 T N 2.014 116.928 114.554 0.601 0.000 2.902 146 T HA 0.130 4.480 4.350 -0.000 0.000 0.301 146 T C -2.283 172.413 174.700 -0.006 0.000 1.012 146 T CA -0.756 61.591 62.100 0.412 0.000 1.151 146 T CB 0.564 69.737 68.868 0.508 0.000 0.946 146 T HN 0.152 nan 8.240 nan 0.000 0.542 147 P HA 0.055 nan 4.420 nan 0.000 0.260 147 P C 0.551 177.711 177.300 -0.233 0.000 1.185 147 P CA 0.035 62.929 63.100 -0.342 0.000 0.763 147 P CB 0.489 31.811 31.700 -0.629 0.000 0.776 148 Q N 5.190 124.925 119.800 -0.109 0.000 2.226 148 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 148 Q C 1.892 177.798 176.000 -0.158 0.000 0.975 148 Q CA 2.087 57.823 55.803 -0.113 0.000 0.866 148 Q CB -0.968 27.756 28.738 -0.023 0.000 0.915 148 Q HN 0.489 nan 8.270 nan 0.000 0.440 149 A N 0.073 122.804 122.820 -0.148 0.000 1.978 149 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 149 A C 1.971 179.401 177.584 -0.257 0.000 1.170 149 A CA 1.460 53.405 52.037 -0.154 0.000 0.636 149 A CB -0.641 18.291 19.000 -0.113 0.000 0.810 149 A HN 0.473 nan 8.150 nan 0.000 0.448 150 L N -0.866 120.134 121.223 -0.371 0.000 2.179 150 L HA -0.089 4.250 4.340 -0.000 0.000 0.208 150 L C 2.417 178.862 176.870 -0.709 0.000 1.096 150 L CA 0.577 55.028 54.840 -0.649 0.000 0.779 150 L CB -0.538 41.140 42.059 -0.636 0.000 0.922 150 L HN 0.220 nan 8.230 nan 0.000 0.443 151 V N -0.040 119.638 119.914 -0.394 0.000 2.295 151 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 151 V C 2.145 178.099 176.094 -0.233 0.000 1.049 151 V CA 1.881 64.020 62.300 -0.268 0.000 1.024 151 V CB -0.500 31.207 31.823 -0.194 0.000 0.648 151 V HN 0.414 nan 8.190 nan 0.000 0.447 152 D N 0.595 120.868 120.400 -0.212 0.000 2.104 152 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 152 D C 2.206 178.430 176.300 -0.126 0.000 0.994 152 D CA 1.839 55.756 54.000 -0.139 0.000 0.830 152 D CB -0.370 40.369 40.800 -0.102 0.000 0.959 152 D HN 0.460 nan 8.370 nan 0.000 0.452 153 A N 0.006 122.707 122.820 -0.199 0.000 1.898 153 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 153 A C 1.352 178.934 177.584 -0.002 0.000 1.181 153 A CA 1.765 53.734 52.037 -0.114 0.000 0.620 153 A CB -0.441 18.482 19.000 -0.129 0.000 0.819 153 A HN 0.489 nan 8.150 nan 0.000 0.442 154 Y N -5.326 114.959 120.300 -0.025 0.000 2.957 154 Y HA 0.469 5.018 4.550 -0.000 0.000 0.274 154 Y C 0.726 176.616 175.900 -0.016 0.000 1.065 154 Y CA -0.426 57.663 58.100 -0.018 0.000 1.273 154 Y CB -0.478 37.972 38.460 -0.017 0.000 1.358 154 Y HN 0.754 nan 8.280 nan 0.000 0.585 155 G N 0.414 109.190 108.800 -0.040 0.000 2.141 155 G HA2 0.112 4.071 3.960 -0.000 0.000 0.242 155 G HA3 0.112 4.071 3.960 -0.000 0.000 0.242 155 G C 1.370 176.302 174.900 0.054 0.000 0.982 155 G CA 0.560 45.670 45.100 0.018 0.000 0.662 155 G HN 1.675 nan 8.290 nan 0.000 0.527 156 G N -0.336 108.412 108.800 -0.087 0.000 2.591 156 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.298 156 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.298 156 G C 0.846 175.850 174.900 0.175 0.000 1.195 156 G CA 0.812 45.907 45.100 -0.008 0.000 0.989 156 G HN 1.018 nan 8.290 nan 0.000 0.551 157 F N 1.227 121.271 119.950 0.156 0.000 2.583 157 F HA 0.169 4.696 4.527 -0.000 0.000 0.297 157 F C 2.628 178.411 175.800 -0.028 0.000 1.131 157 F CA 1.109 59.160 58.000 0.085 0.000 1.467 157 F CB -0.143 38.901 39.000 0.073 0.000 1.097 157 F HN 0.187 nan 8.300 nan 0.000 0.586 158 L N -1.051 120.243 121.223 0.117 0.000 2.551 158 L HA -0.058 4.282 4.340 -0.000 0.000 0.228 158 L C 0.480 177.386 176.870 0.059 0.000 1.153 158 L CA 0.680 55.539 54.840 0.032 0.000 0.851 158 L CB -0.253 41.828 42.059 0.037 0.000 0.959 158 L HN 0.023 nan 8.230 nan 0.000 0.451 159 D N -0.337 120.120 120.400 0.096 0.000 2.619 159 D HA 0.041 4.681 4.640 -0.000 0.000 0.241 159 D C 0.559 176.829 176.300 -0.049 0.000 1.087 159 D CA -0.285 53.734 54.000 0.032 0.000 0.851 159 D CB 1.950 42.792 40.800 0.070 0.000 1.474 159 D HN 0.213 nan 8.370 nan 0.000 0.478 160 E N 2.338 122.499 120.200 -0.065 0.000 2.333 160 E HA -0.167 4.182 4.350 -0.000 0.000 0.198 160 E C 1.124 177.630 176.600 -0.157 0.000 1.007 160 E CA 0.701 57.062 56.400 -0.065 0.000 0.845 160 E CB 0.023 29.713 29.700 -0.017 0.000 0.766 160 E HN 0.318 nan 8.360 nan 0.000 0.507 161 R N 0.093 120.383 120.500 -0.349 0.000 2.200 161 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 161 R C 2.118 178.171 176.300 -0.412 0.000 1.127 161 R CA 1.110 56.878 56.100 -0.553 0.000 0.989 161 R CB -0.407 29.181 30.300 -1.188 0.000 0.869 161 R HN 0.259 nan 8.270 nan 0.000 0.459 162 I N 0.729 121.161 120.570 -0.230 0.000 2.454 162 I HA -0.232 3.938 4.170 -0.000 0.000 0.254 162 I C 1.623 177.769 176.117 0.049 0.000 1.156 162 I CA 1.323 62.625 61.300 0.002 0.000 1.433 162 I CB 0.080 37.920 38.000 -0.266 0.000 1.082 162 I HN 0.112 nan 8.210 nan 0.000 0.432 163 I N 0.131 120.708 120.570 0.012 0.000 2.163 163 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 163 I C 2.458 178.655 176.117 0.132 0.000 1.081 163 I CA 1.447 62.798 61.300 0.085 0.000 1.353 163 I CB -0.533 37.503 38.000 0.059 0.000 1.054 163 I HN 0.120 nan 8.210 nan 0.000 0.407 164 K N 1.254 121.700 120.400 0.077 0.000 2.063 164 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 164 K C 1.641 178.317 176.600 0.126 0.000 1.048 164 K CA 1.863 58.198 56.287 0.079 0.000 0.928 164 K CB -0.320 32.204 32.500 0.040 0.000 0.713 164 K HN 0.248 nan 8.250 nan 0.000 0.442 165 D N -0.951 119.573 120.400 0.206 0.000 2.144 165 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 165 D C 1.753 178.248 176.300 0.325 0.000 0.978 165 D CA 0.972 55.171 54.000 0.332 0.000 0.833 165 D CB -0.289 40.801 40.800 0.483 0.000 0.961 165 D HN 0.297 nan 8.370 nan 0.000 0.470 166 Y N 2.014 122.398 120.300 0.140 0.000 2.145 166 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 166 Y C 2.533 178.296 175.900 -0.229 0.000 1.145 166 Y CA 2.535 60.492 58.100 -0.238 0.000 1.148 166 Y CB -0.530 37.871 38.460 -0.097 0.000 0.981 166 Y HN 0.014 nan 8.280 nan 0.000 0.507 167 T N -2.608 111.936 114.554 -0.016 0.000 2.867 167 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 167 T C 1.516 176.072 174.700 -0.240 0.000 1.057 167 T CA 1.460 63.481 62.100 -0.131 0.000 1.136 167 T CB -0.457 68.434 68.868 0.038 0.000 0.874 167 T HN 0.284 nan 8.240 nan 0.000 0.466 168 D N 0.594 120.915 120.400 -0.132 0.000 2.117 168 D HA 0.009 4.649 4.640 -0.000 0.000 0.198 168 D C 1.574 177.754 176.300 -0.200 0.000 0.982 168 D CA 0.611 54.544 54.000 -0.112 0.000 0.828 168 D CB -0.532 40.273 40.800 0.008 0.000 0.967 168 D HN 0.401 nan 8.370 nan 0.000 0.464 169 F N 1.957 121.625 119.950 -0.469 0.000 2.095 169 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 169 F C 2.122 177.447 175.800 -0.792 0.000 1.104 169 F CA 1.499 59.110 58.000 -0.649 0.000 1.232 169 F CB -0.688 37.596 39.000 -1.194 0.000 0.987 169 F HN -0.059 nan 8.300 nan 0.000 0.475 170 A N 0.452 122.488 122.820 -1.307 0.000 1.908 170 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 170 A C 2.331 178.963 177.584 -1.587 0.000 1.181 170 A CA 1.878 52.922 52.037 -1.655 0.000 0.627 170 A CB -0.749 17.378 19.000 -1.456 0.000 0.818 170 A HN 0.483 nan 8.150 nan 0.000 0.445 171 K N -0.504 119.369 120.400 -0.878 0.000 2.057 171 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 171 K C 1.899 178.209 176.600 -0.484 0.000 1.049 171 K CA 1.359 57.333 56.287 -0.522 0.000 0.931 171 K CB -0.370 32.000 32.500 -0.216 0.000 0.714 171 K HN 0.316 nan 8.250 nan 0.000 0.440 172 V N 1.191 120.845 119.914 -0.433 0.000 2.287 172 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 172 V C 2.449 178.284 176.094 -0.432 0.000 1.053 172 V CA 1.678 63.789 62.300 -0.315 0.000 1.027 172 V CB -0.533 31.195 31.823 -0.158 0.000 0.646 172 V HN 0.443 nan 8.190 nan 0.000 0.447 173 C N -0.421 118.510 119.300 -0.615 0.000 2.413 173 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 173 C C 2.523 177.281 174.990 -0.386 0.000 1.248 173 C CA 0.809 59.553 59.018 -0.457 0.000 1.742 173 C CB -1.300 26.017 27.740 -0.705 0.000 2.017 173 C HN 0.540 nan 8.230 nan 0.000 0.481 174 F N 1.279 120.829 119.950 -0.666 0.000 2.146 174 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 174 F C 2.353 177.912 175.800 -0.402 0.000 1.096 174 F CA 1.245 58.804 58.000 -0.734 0.000 1.275 174 F CB -1.362 36.863 39.000 -1.293 0.000 1.008 174 F HN 0.362 nan 8.300 nan 0.000 0.480 175 E N 0.092 120.186 120.200 -0.177 0.000 2.051 175 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 175 E C 2.152 178.678 176.600 -0.123 0.000 0.991 175 E CA 1.103 57.472 56.400 -0.051 0.000 0.799 175 E CB -0.045 29.617 29.700 -0.063 0.000 0.748 175 E HN 0.179 nan 8.360 nan 0.000 0.449 176 K N -0.174 120.017 120.400 -0.349 0.000 2.116 176 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 176 K C 1.476 177.809 176.600 -0.445 0.000 1.052 176 K CA 0.984 56.925 56.287 -0.577 0.000 0.952 176 K CB 0.107 31.916 32.500 -1.151 0.000 0.729 176 K HN 0.174 nan 8.250 nan 0.000 0.446 177 F N -1.065 118.996 119.950 0.185 0.000 2.728 177 F HA 0.291 4.817 4.527 -0.000 0.000 0.314 177 F C 1.952 177.953 175.800 0.335 0.000 1.094 177 F CA -0.256 57.895 58.000 0.251 0.000 1.217 177 F CB -0.557 38.621 39.000 0.297 0.000 1.056 177 F HN -0.048 nan 8.300 nan 0.000 0.577 178 G N 0.207 109.304 108.800 0.494 0.000 2.471 178 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.219 178 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.219 178 G C 1.734 176.833 174.900 0.333 0.000 1.125 178 G CA 0.702 46.119 45.100 0.529 0.000 0.775 178 G HN 0.153 nan 8.290 nan 0.000 0.548 179 K N 0.524 121.068 120.400 0.239 0.000 2.097 179 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 179 K C 2.259 178.948 176.600 0.150 0.000 1.049 179 K CA 1.806 58.190 56.287 0.162 0.000 0.933 179 K CB -0.403 32.171 32.500 0.124 0.000 0.717 179 K HN 0.238 nan 8.250 nan 0.000 0.442 180 T N -0.884 113.777 114.554 0.178 0.000 3.040 180 T HA 0.194 4.544 4.350 -0.000 0.000 0.252 180 T C -0.171 174.579 174.700 0.083 0.000 1.064 180 T CA 0.040 62.218 62.100 0.129 0.000 1.110 180 T CB 0.529 69.481 68.868 0.139 0.000 0.921 180 T HN -0.151 nan 8.240 nan 0.000 0.480 181 V N 2.367 122.342 119.914 0.102 0.000 2.417 181 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 181 V C 0.199 176.259 176.094 -0.056 0.000 1.024 181 V CA -0.670 61.559 62.300 -0.118 0.000 0.861 181 V CB 1.781 33.369 31.823 -0.392 0.000 0.985 181 V HN 0.211 nan 8.190 nan 0.000 0.436 182 K N 2.894 123.188 120.400 -0.177 0.000 2.438 182 K HA 0.361 4.680 4.320 -0.000 0.000 0.205 182 K C -0.181 176.290 176.600 -0.215 0.000 1.033 182 K CA -0.144 56.120 56.287 -0.037 0.000 1.089 182 K CB 0.443 32.934 32.500 -0.015 0.000 0.857 182 K HN 0.527 nan 8.250 nan 0.000 0.522 183 N N 0.473 118.793 118.700 -0.632 0.000 2.519 183 N HA 0.197 4.937 4.740 -0.000 0.000 0.286 183 N C -1.640 173.333 175.510 -0.896 0.000 1.079 183 N CA -0.335 52.234 53.050 -0.802 0.000 0.878 183 N CB 1.100 38.674 38.487 -1.523 0.000 1.375 183 N HN 0.013 nan 8.380 nan 0.000 0.514 184 W N 2.209 123.256 121.300 -0.420 0.000 2.736 184 W HA 0.597 5.257 4.660 -0.000 0.000 0.335 184 W C -0.374 175.993 176.519 -0.254 0.000 1.059 184 W CA -0.622 56.516 57.345 -0.344 0.000 1.226 184 W CB 1.573 30.802 29.460 -0.385 0.000 1.416 184 W HN 0.135 nan 8.180 nan 0.000 0.505 185 L N 2.618 123.862 121.223 0.036 0.000 2.349 185 L HA 0.344 4.684 4.340 -0.000 0.000 0.278 185 L C 1.289 178.184 176.870 0.041 0.000 0.996 185 L CA -0.547 54.310 54.840 0.028 0.000 0.825 185 L CB 2.075 44.107 42.059 -0.044 0.000 1.243 185 L HN 0.682 nan 8.230 nan 0.000 0.412 186 T N -0.448 114.161 114.554 0.091 0.000 2.737 186 T HA 0.052 4.401 4.350 -0.000 0.000 0.265 186 T C 0.367 174.843 174.700 -0.373 0.000 1.038 186 T CA 1.089 63.166 62.100 -0.038 0.000 1.144 186 T CB -0.080 68.921 68.868 0.222 0.000 0.866 186 T HN 0.154 nan 8.240 nan 0.000 0.434 187 F N 1.180 121.196 119.950 0.110 0.000 2.578 187 F HA 0.540 5.067 4.527 -0.000 0.000 0.311 187 F C -0.293 175.464 175.800 -0.072 0.000 1.094 187 F CA -1.519 56.508 58.000 0.045 0.000 0.923 187 F CB 1.829 40.777 39.000 -0.086 0.000 1.230 187 F HN 0.003 nan 8.300 nan 0.000 0.450 188 N N 1.566 120.289 118.700 0.039 0.000 2.419 188 N HA 0.243 4.983 4.740 -0.000 0.000 0.277 188 N C -0.961 174.493 175.510 -0.094 0.000 1.006 188 N CA -0.183 52.751 53.050 -0.193 0.000 0.923 188 N CB 0.623 38.718 38.487 -0.653 0.000 1.140 188 N HN 0.651 nan 8.380 nan 0.000 0.488 189 E N 1.747 121.884 120.200 -0.105 0.000 2.197 189 E HA -0.176 4.174 4.350 -0.000 0.000 0.184 189 E C -1.729 174.790 176.600 -0.135 0.000 1.439 189 E CA 0.013 56.380 56.400 -0.056 0.000 0.688 189 E CB -0.606 29.160 29.700 0.110 0.000 1.090 189 E HN 0.670 nan 8.360 nan 0.000 0.341 190 P HA -0.232 nan 4.420 nan 0.000 0.218 190 P C 1.330 178.123 177.300 -0.845 0.000 1.148 190 P CA 1.176 63.768 63.100 -0.846 0.000 0.822 190 P CB 0.200 30.854 31.700 -1.743 0.000 0.784 191 E N -0.105 119.701 120.200 -0.656 0.000 2.047 191 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 191 E C 1.814 178.355 176.600 -0.099 0.000 0.987 191 E CA 1.535 57.849 56.400 -0.143 0.000 0.799 191 E CB -0.700 29.134 29.700 0.224 0.000 0.752 191 E HN 0.116 nan 8.360 nan 0.000 0.449 192 T N 1.168 115.653 114.554 -0.114 0.000 2.708 192 T HA -0.160 4.189 4.350 -0.000 0.000 0.266 192 T C 1.544 175.985 174.700 -0.431 0.000 1.037 192 T CA 1.423 63.409 62.100 -0.190 0.000 1.146 192 T CB -0.582 68.220 68.868 -0.111 0.000 0.865 192 T HN 0.212 nan 8.240 nan 0.000 0.435 193 F N 1.499 121.025 119.950 -0.705 0.000 2.091 193 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 193 F C 2.416 177.923 175.800 -0.489 0.000 1.103 193 F CA 0.834 58.293 58.000 -0.902 0.000 1.228 193 F CB -0.840 37.708 39.000 -0.754 0.000 0.984 193 F HN 0.204 nan 8.300 nan 0.000 0.477 194 C N -0.823 118.220 119.300 -0.428 0.000 2.489 194 C HA -0.075 4.385 4.460 -0.000 0.000 0.279 194 C C 3.012 177.891 174.990 -0.185 0.000 1.266 194 C CA 1.327 60.135 59.018 -0.349 0.000 1.707 194 C CB -1.243 26.316 27.740 -0.302 0.000 2.059 194 C HN 0.523 nan 8.230 nan 0.000 0.481 195 S N 0.772 116.411 115.700 -0.102 0.000 2.383 195 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 195 S C 1.750 176.238 174.600 -0.187 0.000 1.026 195 S CA 1.462 59.624 58.200 -0.064 0.000 0.981 195 S CB -0.178 63.039 63.200 0.029 0.000 0.818 195 S HN 0.491 nan 8.310 nan 0.000 0.472 196 V N 0.685 120.424 119.914 -0.291 0.000 3.125 196 V HA 0.092 4.212 4.120 -0.000 0.000 0.249 196 V C 1.888 177.693 176.094 -0.482 0.000 1.113 196 V CA 0.994 63.083 62.300 -0.352 0.000 1.106 196 V CB -0.069 31.538 31.823 -0.359 0.000 0.768 196 V HN 0.355 nan 8.190 nan 0.000 0.468 197 S N -1.050 114.277 115.700 -0.622 0.000 2.458 197 S HA 0.075 4.545 4.470 -0.000 0.000 0.223 197 S C 1.365 175.377 174.600 -0.980 0.000 1.019 197 S CA 0.739 58.413 58.200 -0.876 0.000 0.937 197 S CB -0.096 62.435 63.200 -1.114 0.000 0.788 197 S HN 0.675 nan 8.310 nan 0.000 0.511 198 Y N 0.168 120.175 120.300 -0.487 0.000 2.563 198 Y HA 0.415 4.965 4.550 -0.000 0.000 0.250 198 Y C 1.926 177.661 175.900 -0.275 0.000 1.126 198 Y CA -0.219 57.659 58.100 -0.370 0.000 1.231 198 Y CB 0.335 38.585 38.460 -0.351 0.000 1.288 198 Y HN 0.270 nan 8.280 nan 0.000 0.537 199 G N -0.312 108.392 108.800 -0.161 0.000 2.797 199 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.211 199 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.211 199 G C 1.574 176.369 174.900 -0.174 0.000 1.236 199 G CA 0.839 45.854 45.100 -0.142 0.000 0.833 199 G HN 0.237 nan 8.290 nan 0.000 0.624 200 T N -1.623 112.814 114.554 -0.195 0.000 3.055 200 T HA 0.309 4.659 4.350 -0.000 0.000 0.265 200 T C 1.981 176.533 174.700 -0.246 0.000 1.111 200 T CA 1.181 63.168 62.100 -0.189 0.000 1.118 200 T CB -0.145 68.624 68.868 -0.165 0.000 0.909 200 T HN 1.537 nan 8.240 nan 0.000 0.501 201 G N 0.682 109.281 108.800 -0.334 0.000 2.203 201 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 201 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 201 G C 0.858 175.494 174.900 -0.441 0.000 1.012 201 G CA 0.361 45.190 45.100 -0.452 0.000 0.749 201 G HN 0.561 nan 8.290 nan 0.000 0.512 202 V N -0.410 119.313 119.914 -0.318 0.000 2.427 202 V HA 0.090 4.210 4.120 -0.000 0.000 0.248 202 V C 1.786 177.747 176.094 -0.223 0.000 1.051 202 V CA 1.849 64.044 62.300 -0.175 0.000 1.048 202 V CB -0.228 31.540 31.823 -0.091 0.000 0.666 202 V HN 0.460 nan 8.190 nan 0.000 0.456 203 L N -0.231 120.726 121.223 -0.444 0.000 2.344 203 L HA 0.662 5.002 4.340 -0.000 0.000 0.272 203 L C 0.476 176.595 176.870 -1.251 0.000 1.035 203 L CA -0.670 53.828 54.840 -0.570 0.000 0.807 203 L CB 1.111 42.925 42.059 -0.409 0.000 1.237 203 L HN 0.120 nan 8.230 nan 0.000 0.442 204 A N 2.967 124.577 122.820 -2.017 0.000 2.540 204 A HA 0.196 4.516 4.320 -0.000 0.000 0.239 204 A C -1.648 175.204 177.584 -1.220 0.000 1.061 204 A CA -0.651 50.130 52.037 -2.094 0.000 0.758 204 A CB -0.347 17.187 19.000 -2.443 0.000 0.991 204 A HN 0.621 nan 8.150 nan 0.000 0.502 205 P HA 0.114 nan 4.420 nan 0.000 0.253 205 P C 0.727 177.546 177.300 -0.802 0.000 1.260 205 P CA 0.945 63.569 63.100 -0.793 0.000 0.800 205 P CB -0.016 31.382 31.700 -0.505 0.000 1.162 206 G N 0.699 108.886 108.800 -1.022 0.000 2.248 206 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 206 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 206 G C -0.144 174.370 174.900 -0.643 0.000 1.082 206 G CA -0.470 44.136 45.100 -0.822 0.000 0.863 206 G HN 0.356 nan 8.290 nan 0.000 0.495 207 R N -0.707 119.421 120.500 -0.620 0.000 2.540 207 R HA 0.792 5.132 4.340 -0.000 0.000 0.287 207 R C 0.608 176.708 176.300 -0.334 0.000 0.980 207 R CA 0.148 55.991 56.100 -0.429 0.000 0.966 207 R CB 1.426 31.513 30.300 -0.354 0.000 1.106 207 R HN 0.884 nan 8.270 nan 0.000 0.480 208 c N -1.542 116.913 118.600 -0.242 0.000 3.295 208 c HA 0.487 5.057 4.570 -0.000 0.000 0.341 208 c C -0.072 173.940 174.090 -0.130 0.000 1.418 208 c CA -1.148 55.071 56.329 -0.183 0.000 1.240 208 c CB 1.282 43.670 42.510 -0.204 0.000 1.562 208 c HN 0.718 nan 8.230 nan 0.000 0.457 209 S N 2.323 117.962 115.700 -0.101 0.000 2.568 209 S HA 0.398 4.868 4.470 -0.000 0.000 0.282 209 S C -2.469 172.088 174.600 -0.072 0.000 1.338 209 S CA 0.110 58.264 58.200 -0.076 0.000 1.045 209 S CB 0.060 63.221 63.200 -0.066 0.000 0.873 209 S HN 0.721 nan 8.310 nan 0.000 0.516 210 P HA 0.130 nan 4.420 nan 0.000 0.262 210 P C 0.873 178.150 177.300 -0.039 0.000 1.182 210 P CA 1.123 64.197 63.100 -0.044 0.000 0.761 210 P CB 0.123 31.803 31.700 -0.033 0.000 0.795 211 G N 1.140 109.921 108.800 -0.031 0.000 2.194 211 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 211 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 211 G C 0.019 174.903 174.900 -0.027 0.000 0.987 211 G CA -0.200 44.886 45.100 -0.024 0.000 0.635 211 G HN 0.523 nan 8.290 nan 0.000 0.520 212 V N 1.193 121.080 119.914 -0.044 0.000 2.539 212 V HA 0.688 4.807 4.120 -0.000 0.000 0.292 212 V C 0.924 176.994 176.094 -0.040 0.000 1.045 212 V CA 0.238 62.507 62.300 -0.051 0.000 0.945 212 V CB 1.780 33.553 31.823 -0.083 0.000 0.993 212 V HN 0.483 nan 8.190 nan 0.000 0.464 213 S N 4.061 119.762 115.700 0.001 0.000 2.411 213 S HA 0.442 4.911 4.470 -0.000 0.000 0.304 213 S C -0.299 174.302 174.600 0.001 0.000 1.098 213 S CA -0.410 57.846 58.200 0.094 0.000 1.068 213 S CB -0.744 62.558 63.200 0.171 0.000 1.032 213 S HN 1.065 nan 8.310 nan 0.000 0.511 214 c N 2.664 121.105 118.600 -0.266 0.000 3.320 214 c HA 0.860 5.430 4.570 -0.000 0.000 0.335 214 c C 1.649 174.970 174.090 -1.283 0.000 1.430 214 c CA -0.215 55.577 56.329 -0.895 0.000 1.271 214 c CB 0.796 42.956 42.510 -0.583 0.000 1.609 214 c HN 0.714 nan 8.230 nan 0.000 0.457 215 A N 0.225 121.963 122.820 -1.804 0.000 1.972 215 A HA 0.233 4.553 4.320 -0.000 0.000 0.219 215 A C 0.873 177.933 177.584 -0.874 0.000 1.169 215 A CA 2.149 53.178 52.037 -1.680 0.000 0.635 215 A CB -0.516 17.268 19.000 -2.027 0.000 0.810 215 A HN 1.484 nan 8.150 nan 0.000 0.446 216 V N 0.985 120.510 119.914 -0.648 0.000 2.383 216 V HA 0.224 4.344 4.120 -0.000 0.000 0.261 216 V C -2.589 173.348 176.094 -0.261 0.000 0.987 216 V CA -0.923 61.165 62.300 -0.353 0.000 0.853 216 V CB 1.279 32.919 31.823 -0.304 0.000 1.095 216 V HN 0.287 nan 8.190 nan 0.000 0.461 217 P HA 0.140 nan 4.420 nan 0.000 0.226 217 P C 0.718 177.962 177.300 -0.093 0.000 1.758 217 P CA 0.180 63.192 63.100 -0.146 0.000 0.896 217 P CB -0.331 31.306 31.700 -0.106 0.000 1.784 218 T N -4.242 110.257 114.554 -0.091 0.000 3.252 218 T HA 0.443 4.792 4.350 -0.000 0.000 0.286 218 T C 0.852 175.520 174.700 -0.054 0.000 1.013 218 T CA -0.321 61.745 62.100 -0.057 0.000 0.914 218 T CB 0.332 69.177 68.868 -0.037 0.000 1.131 218 T HN 0.079 nan 8.240 nan 0.000 0.529 219 G N 1.178 109.936 108.800 -0.071 0.000 2.945 219 G HA2 0.548 4.508 3.960 -0.000 0.000 0.156 219 G HA3 0.548 4.508 3.960 -0.000 0.000 0.156 219 G C -0.810 174.064 174.900 -0.044 0.000 1.375 219 G CA -0.689 44.382 45.100 -0.050 0.000 1.039 219 G HN 0.395 nan 8.290 nan 0.000 0.586 220 N N -1.074 117.605 118.700 -0.036 0.000 2.655 220 N HA 0.147 4.887 4.740 -0.000 0.000 0.277 220 N C 0.310 175.799 175.510 -0.034 0.000 1.177 220 N CA -0.372 52.657 53.050 -0.036 0.000 0.882 220 N CB 1.640 40.111 38.487 -0.026 0.000 1.481 220 N HN 0.110 nan 8.380 nan 0.000 0.547 221 S N 2.081 117.749 115.700 -0.052 0.000 2.481 221 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 221 S C 1.527 176.100 174.600 -0.044 0.000 0.996 221 S CA 0.302 58.464 58.200 -0.062 0.000 0.942 221 S CB 0.176 63.324 63.200 -0.086 0.000 0.768 221 S HN 0.471 nan 8.310 nan 0.000 0.520 222 L N 1.202 122.412 121.223 -0.022 0.000 2.307 222 L HA 0.168 4.508 4.340 -0.000 0.000 0.211 222 L C 2.202 179.134 176.870 0.103 0.000 1.099 222 L CA 1.241 56.091 54.840 0.017 0.000 0.816 222 L CB -0.534 41.513 42.059 -0.021 0.000 0.952 222 L HN 0.404 nan 8.230 nan 0.000 0.455 223 S N -3.169 112.566 115.700 0.059 0.000 2.665 223 S HA 0.076 4.546 4.470 -0.000 0.000 0.240 223 S C 1.590 176.237 174.600 0.078 0.000 1.081 223 S CA -0.236 58.013 58.200 0.080 0.000 0.887 223 S CB -0.131 63.066 63.200 -0.005 0.000 0.805 223 S HN 0.299 nan 8.310 nan 0.000 0.486 224 E N 2.430 122.640 120.200 0.016 0.000 2.077 224 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 224 E C -0.836 175.700 176.600 -0.106 0.000 0.989 224 E CA 1.483 57.856 56.400 -0.045 0.000 0.800 224 E CB -1.122 28.574 29.700 -0.007 0.000 0.746 224 E HN 0.482 nan 8.360 nan 0.000 0.452 225 P HA -0.173 nan 4.420 nan 0.000 0.216 225 P C 0.748 178.065 177.300 0.028 0.000 1.150 225 P CA 1.273 64.329 63.100 -0.073 0.000 0.837 225 P CB -0.090 31.569 31.700 -0.069 0.000 0.786 226 Y N -1.286 119.081 120.300 0.112 0.000 2.263 226 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 226 Y C 2.332 178.258 175.900 0.043 0.000 1.130 226 Y CA 0.667 58.840 58.100 0.123 0.000 1.179 226 Y CB -0.908 37.494 38.460 -0.096 0.000 0.998 226 Y HN -0.115 nan 8.280 nan 0.000 0.532 227 I N -0.876 119.764 120.570 0.116 0.000 2.179 227 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 227 I C 2.221 178.358 176.117 0.032 0.000 1.088 227 I CA 1.261 62.588 61.300 0.045 0.000 1.357 227 I CB -1.239 36.748 38.000 -0.022 0.000 1.051 227 I HN 0.078 nan 8.210 nan 0.000 0.409 228 V N 1.326 121.174 119.914 -0.111 0.000 2.358 228 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 228 V C 2.830 178.906 176.094 -0.031 0.000 1.047 228 V CA 1.655 63.860 62.300 -0.159 0.000 1.035 228 V CB -1.081 30.375 31.823 -0.612 0.000 0.658 228 V HN 0.444 nan 8.190 nan 0.000 0.452 229 A N -0.555 122.257 122.820 -0.014 0.000 1.908 229 A HA -0.313 4.006 4.320 -0.000 0.000 0.218 229 A C 2.110 179.802 177.584 0.180 0.000 1.181 229 A CA 2.431 54.497 52.037 0.048 0.000 0.627 229 A CB -0.809 18.126 19.000 -0.107 0.000 0.818 229 A HN 0.717 nan 8.150 nan 0.000 0.445 230 H N 0.037 119.189 119.070 0.136 0.000 2.363 230 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 230 H C 2.014 177.426 175.328 0.139 0.000 1.074 230 H CA 1.749 57.894 56.048 0.162 0.000 1.354 230 H CB -0.016 29.774 29.762 0.047 0.000 1.397 230 H HN 0.402 nan 8.280 nan 0.000 0.516 231 N N 0.340 119.127 118.700 0.145 0.000 2.188 231 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 231 N C 2.147 177.689 175.510 0.054 0.000 1.018 231 N CA 1.019 54.129 53.050 0.100 0.000 0.858 231 N CB -0.412 38.156 38.487 0.136 0.000 0.989 231 N HN 0.400 nan 8.380 nan 0.000 0.426 232 L N 0.803 122.030 121.223 0.007 0.000 2.046 232 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 232 L C 2.020 178.698 176.870 -0.321 0.000 1.077 232 L CA 1.066 55.688 54.840 -0.362 0.000 0.747 232 L CB -0.193 41.481 42.059 -0.642 0.000 0.896 232 L HN 0.091 nan 8.230 nan 0.000 0.432 233 L N -0.667 120.513 121.223 -0.071 0.000 2.093 233 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 233 L C 2.792 179.715 176.870 0.089 0.000 1.085 233 L CA 1.147 56.015 54.840 0.047 0.000 0.755 233 L CB -0.404 41.763 42.059 0.180 0.000 0.904 233 L HN 0.220 nan 8.230 nan 0.000 0.435 234 R N -0.227 120.321 120.500 0.081 0.000 2.075 234 R HA -0.107 4.232 4.340 -0.000 0.000 0.232 234 R C 2.453 178.815 176.300 0.103 0.000 1.126 234 R CA 1.268 57.423 56.100 0.093 0.000 0.963 234 R CB -0.508 29.835 30.300 0.072 0.000 0.858 234 R HN 0.331 nan 8.270 nan 0.000 0.435 235 A N 0.561 123.441 122.820 0.100 0.000 1.902 235 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 235 A C 1.952 179.693 177.584 0.263 0.000 1.181 235 A CA 1.876 54.012 52.037 0.165 0.000 0.623 235 A CB -0.755 18.296 19.000 0.086 0.000 0.818 235 A HN 0.475 nan 8.150 nan 0.000 0.443 236 H N -0.027 119.166 119.070 0.206 0.000 2.319 236 H HA -0.011 4.544 4.556 -0.000 0.000 0.299 236 H C 2.154 177.579 175.328 0.162 0.000 1.092 236 H CA 2.201 58.414 56.048 0.274 0.000 1.302 236 H CB -0.277 29.620 29.762 0.225 0.000 1.373 236 H HN 0.383 nan 8.280 nan 0.000 0.497 237 A N 0.355 123.227 122.820 0.087 0.000 1.883 237 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 237 A C 2.359 179.933 177.584 -0.016 0.000 1.186 237 A CA 1.985 54.017 52.037 -0.008 0.000 0.624 237 A CB -0.684 18.314 19.000 -0.004 0.000 0.822 237 A HN 0.587 nan 8.150 nan 0.000 0.444 238 E N -0.379 119.848 120.200 0.046 0.000 2.106 238 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 238 E C 1.999 178.645 176.600 0.077 0.000 0.984 238 E CA 1.917 58.356 56.400 0.064 0.000 0.806 238 E CB -0.589 29.165 29.700 0.090 0.000 0.750 238 E HN 0.514 nan 8.360 nan 0.000 0.458 239 T N -0.284 114.330 114.554 0.100 0.000 2.746 239 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 239 T C 1.838 176.591 174.700 0.090 0.000 1.039 239 T CA 1.342 63.521 62.100 0.131 0.000 1.142 239 T CB -0.266 68.721 68.868 0.200 0.000 0.866 239 T HN 0.017 nan 8.240 nan 0.000 0.444 240 V N 1.572 121.448 119.914 -0.063 0.000 2.427 240 V HA -0.150 3.969 4.120 -0.000 0.000 0.248 240 V C 2.328 178.420 176.094 -0.004 0.000 1.051 240 V CA 1.800 64.054 62.300 -0.076 0.000 1.048 240 V CB -0.578 31.120 31.823 -0.210 0.000 0.666 240 V HN 0.468 nan 8.190 nan 0.000 0.456 241 D N 0.176 120.571 120.400 -0.008 0.000 2.097 241 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 241 D C 1.983 178.287 176.300 0.007 0.000 0.989 241 D CA 1.490 55.483 54.000 -0.011 0.000 0.827 241 D CB -0.143 40.655 40.800 -0.002 0.000 0.966 241 D HN 0.419 nan 8.370 nan 0.000 0.456 242 I N -0.410 120.220 120.570 0.101 0.000 2.208 242 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 242 I C 2.001 178.229 176.117 0.186 0.000 1.097 242 I CA 0.990 62.425 61.300 0.225 0.000 1.363 242 I CB -0.362 37.814 38.000 0.293 0.000 1.051 242 I HN 0.158 nan 8.210 nan 0.000 0.413 243 Y N 1.880 122.126 120.300 -0.090 0.000 2.145 243 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 243 Y C 2.254 178.011 175.900 -0.238 0.000 1.145 243 Y CA 1.972 59.841 58.100 -0.385 0.000 1.148 243 Y CB -0.584 37.478 38.460 -0.663 0.000 0.981 243 Y HN 0.202 nan 8.280 nan 0.000 0.507 244 N N -0.360 118.252 118.700 -0.146 0.000 2.120 244 N HA -0.184 4.555 4.740 -0.000 0.000 0.188 244 N C 1.679 176.997 175.510 -0.319 0.000 1.024 244 N CA 1.366 54.288 53.050 -0.214 0.000 0.852 244 N CB -0.145 38.271 38.487 -0.119 0.000 1.003 244 N HN 0.343 nan 8.380 nan 0.000 0.424 245 K N -0.345 119.829 120.400 -0.376 0.000 2.155 245 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 245 K C 0.657 176.756 176.600 -0.835 0.000 1.052 245 K CA 1.096 56.983 56.287 -0.666 0.000 0.948 245 K CB 0.155 32.099 32.500 -0.927 0.000 0.728 245 K HN 0.350 nan 8.250 nan 0.000 0.448 246 Y N -2.426 117.682 120.300 -0.320 0.000 2.448 246 Y HA 0.188 4.738 4.550 -0.000 0.000 0.257 246 Y C 1.459 176.858 175.900 -0.836 0.000 1.089 246 Y CA -0.267 57.516 58.100 -0.528 0.000 1.245 246 Y CB 0.834 38.949 38.460 -0.575 0.000 1.282 246 Y HN 0.082 nan 8.280 nan 0.000 0.529 247 H N -1.484 117.345 119.070 -0.402 0.000 3.583 247 H HA 0.161 4.717 4.556 -0.000 0.000 0.251 247 H C 1.549 176.407 175.328 -0.783 0.000 1.060 247 H CA 0.114 55.820 56.048 -0.570 0.000 1.159 247 H CB 0.647 29.979 29.762 -0.717 0.000 1.496 247 H HN 0.149 nan 8.280 nan 0.000 0.540 248 K N 1.839 121.714 120.400 -0.874 0.000 2.057 248 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 248 K C 1.219 177.658 176.600 -0.269 0.000 1.050 248 K CA 1.332 57.202 56.287 -0.695 0.000 0.935 248 K CB 0.076 32.294 32.500 -0.471 0.000 0.715 248 K HN 0.305 nan 8.250 nan 0.000 0.439 249 G N -0.373 108.289 108.800 -0.230 0.000 2.582 249 G HA2 -0.408 3.551 3.960 -0.000 0.000 0.288 249 G HA3 -0.408 3.551 3.960 -0.000 0.000 0.288 249 G C 0.798 175.648 174.900 -0.083 0.000 1.247 249 G CA 0.733 45.756 45.100 -0.129 0.000 0.972 249 G HN 0.564 nan 8.290 nan 0.000 0.557 250 A N -0.726 122.067 122.820 -0.045 0.000 2.081 250 A HA 0.377 4.696 4.320 -0.000 0.000 0.214 250 A C 1.695 179.278 177.584 -0.002 0.000 1.158 250 A CA 2.180 54.204 52.037 -0.023 0.000 0.724 250 A CB -0.106 18.887 19.000 -0.013 0.000 0.826 250 A HN 1.170 nan 8.150 nan 0.000 0.463 251 D N -2.004 118.401 120.400 0.009 0.000 2.510 251 D HA 0.182 4.822 4.640 -0.000 0.000 0.234 251 D C 0.884 177.220 176.300 0.060 0.000 1.178 251 D CA 0.430 54.450 54.000 0.033 0.000 0.816 251 D CB -0.935 39.885 40.800 0.033 0.000 1.143 251 D HN 0.209 nan 8.370 nan 0.000 0.526 252 G N 0.294 109.143 108.800 0.083 0.000 2.483 252 G HA2 0.514 4.473 3.960 -0.000 0.000 0.248 252 G HA3 0.514 4.473 3.960 -0.000 0.000 0.248 252 G C -0.258 174.794 174.900 0.254 0.000 1.248 252 G CA -0.524 44.708 45.100 0.219 0.000 0.838 252 G HN 0.041 nan 8.290 nan 0.000 0.566 253 R N 0.147 120.789 120.500 0.236 0.000 2.698 253 R HA 0.583 4.923 4.340 -0.000 0.000 0.275 253 R C -1.306 174.990 176.300 -0.006 0.000 1.001 253 R CA -0.774 55.405 56.100 0.131 0.000 0.896 253 R CB 2.627 32.964 30.300 0.062 0.000 1.218 253 R HN 0.515 nan 8.270 nan 0.000 0.462 254 I N 0.719 121.270 120.570 -0.030 0.000 2.686 254 I HA 0.744 4.914 4.170 -0.000 0.000 0.295 254 I C -0.703 175.459 176.117 0.076 0.000 1.114 254 I CA -0.272 60.963 61.300 -0.108 0.000 1.038 254 I CB 2.239 39.996 38.000 -0.404 0.000 1.238 254 I HN 0.784 nan 8.210 nan 0.000 0.420 255 G N 6.077 114.952 108.800 0.126 0.000 2.772 255 G HA2 0.646 4.606 3.960 -0.000 0.000 0.284 255 G HA3 0.646 4.606 3.960 -0.000 0.000 0.284 255 G C -1.752 173.285 174.900 0.227 0.000 1.217 255 G CA -0.534 44.707 45.100 0.234 0.000 0.831 255 G HN 0.865 nan 8.290 nan 0.000 0.523 256 L N -3.281 118.027 121.223 0.141 0.000 2.479 256 L HA 0.965 5.305 4.340 -0.000 0.000 0.255 256 L C -0.883 175.994 176.870 0.012 0.000 1.026 256 L CA -1.332 53.552 54.840 0.074 0.000 0.842 256 L CB 1.986 44.057 42.059 0.020 0.000 1.444 256 L HN 1.080 nan 8.230 nan 0.000 0.409 257 A N 2.395 125.203 122.820 -0.020 0.000 2.291 257 A HA 0.767 5.087 4.320 -0.000 0.000 0.311 257 A C -0.820 176.723 177.584 -0.069 0.000 1.224 257 A CA -0.477 51.535 52.037 -0.041 0.000 0.821 257 A CB 0.762 19.721 19.000 -0.069 0.000 1.172 257 A HN 0.658 nan 8.150 nan 0.000 0.494 258 L N 3.923 125.117 121.223 -0.048 0.000 2.295 258 L HA 0.352 4.692 4.340 -0.000 0.000 0.285 258 L C 0.158 177.017 176.870 -0.018 0.000 1.035 258 L CA -0.975 53.833 54.840 -0.053 0.000 0.806 258 L CB 1.334 43.381 42.059 -0.020 0.000 1.214 258 L HN 0.856 nan 8.230 nan 0.000 0.426 259 N N 2.982 121.662 118.700 -0.033 0.000 2.520 259 N HA 0.256 4.996 4.740 -0.000 0.000 0.273 259 N C -0.960 174.547 175.510 -0.006 0.000 1.155 259 N CA -0.355 52.674 53.050 -0.035 0.000 0.967 259 N CB 2.047 40.479 38.487 -0.092 0.000 1.092 259 N HN 0.264 nan 8.380 nan 0.000 0.457 260 V N 2.054 121.972 119.914 0.006 0.000 2.524 260 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 260 V C -0.640 175.529 176.094 0.125 0.000 1.035 260 V CA -0.793 61.581 62.300 0.124 0.000 0.867 260 V CB 0.569 32.514 31.823 0.203 0.000 1.004 260 V HN 0.490 nan 8.190 nan 0.000 0.426 261 F N 2.423 122.542 119.950 0.282 0.000 2.427 261 F HA 0.568 5.094 4.527 -0.000 0.000 0.352 261 F C 1.417 177.420 175.800 0.338 0.000 1.100 261 F CA 0.186 58.363 58.000 0.295 0.000 1.191 261 F CB 0.977 40.108 39.000 0.218 0.000 1.128 261 F HN 0.613 nan 8.300 nan 0.000 0.533 262 G N 3.449 112.625 108.800 0.627 0.000 2.441 262 G HA2 0.380 4.340 3.960 -0.000 0.000 0.243 262 G HA3 0.380 4.340 3.960 -0.000 0.000 0.243 262 G C -0.397 174.707 174.900 0.340 0.000 1.281 262 G CA -0.743 44.647 45.100 0.483 0.000 0.854 262 G HN 0.451 nan 8.290 nan 0.000 0.560 263 R N 1.175 121.828 120.500 0.257 0.000 2.502 263 R HA 0.388 4.728 4.340 -0.000 0.000 0.300 263 R C -1.214 175.183 176.300 0.163 0.000 0.984 263 R CA -0.713 55.498 56.100 0.185 0.000 0.882 263 R CB 1.847 32.265 30.300 0.197 0.000 1.180 263 R HN 0.305 nan 8.270 nan 0.000 0.444 264 V N 4.816 124.795 119.914 0.108 0.000 2.459 264 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 264 V C -2.125 174.143 176.094 0.290 0.000 1.029 264 V CA -2.388 60.008 62.300 0.161 0.000 0.874 264 V CB 2.085 33.913 31.823 0.008 0.000 0.985 264 V HN 0.509 nan 8.190 nan 0.000 0.438 265 P HA -0.009 nan 4.420 nan 0.000 0.264 265 P C 0.191 177.694 177.300 0.339 0.000 1.193 265 P CA 0.252 63.513 63.100 0.269 0.000 0.763 265 P CB 0.318 32.133 31.700 0.190 0.000 0.810 266 Y N 3.785 124.195 120.300 0.183 0.000 2.151 266 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 266 Y C 1.106 176.972 175.900 -0.057 0.000 1.166 266 Y CA 2.173 60.299 58.100 0.043 0.000 1.163 266 Y CB -0.082 38.386 38.460 0.013 0.000 0.974 266 Y HN 0.390 nan 8.280 nan 0.000 0.511 267 T N -2.871 111.724 114.554 0.069 0.000 2.887 267 T HA 0.343 4.693 4.350 -0.000 0.000 0.292 267 T C -0.463 174.261 174.700 0.041 0.000 1.087 267 T CA -0.895 61.194 62.100 -0.020 0.000 1.009 267 T CB 1.281 70.140 68.868 -0.014 0.000 1.203 267 T HN 0.226 nan 8.240 nan 0.000 0.518 268 N N 0.520 119.237 118.700 0.027 0.000 3.259 268 N HA 0.300 5.040 4.740 -0.000 0.000 0.308 268 N C -0.691 174.845 175.510 0.044 0.000 1.334 268 N CA -0.226 52.856 53.050 0.053 0.000 1.202 268 N CB 0.379 38.899 38.487 0.055 0.000 1.485 268 N HN 0.459 nan 8.380 nan 0.000 0.549 269 T N -0.267 114.299 114.554 0.020 0.000 2.885 269 T HA 0.187 4.537 4.350 -0.000 0.000 0.285 269 T C 1.092 175.764 174.700 -0.047 0.000 1.019 269 T CA -0.791 61.282 62.100 -0.045 0.000 1.010 269 T CB 0.684 69.475 68.868 -0.129 0.000 1.022 269 T HN 0.309 nan 8.240 nan 0.000 0.466 270 F N 2.167 122.122 119.950 0.008 0.000 2.202 270 F HA -0.001 4.526 4.527 -0.000 0.000 0.301 270 F C 1.682 177.472 175.800 -0.018 0.000 1.082 270 F CA 1.127 59.127 58.000 0.001 0.000 1.313 270 F CB -0.927 38.067 39.000 -0.010 0.000 1.024 270 F HN 0.395 nan 8.300 nan 0.000 0.495 271 L N 0.553 121.433 121.223 -0.572 0.000 2.017 271 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 271 L C 2.194 179.002 176.870 -0.104 0.000 1.073 271 L CA 1.574 56.160 54.840 -0.423 0.000 0.745 271 L CB -0.784 40.844 42.059 -0.718 0.000 0.894 271 L HN 0.132 nan 8.230 nan 0.000 0.432 272 D N -0.663 119.715 120.400 -0.038 0.000 2.234 272 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 272 D C 2.286 178.665 176.300 0.131 0.000 0.962 272 D CA 0.782 54.844 54.000 0.104 0.000 0.855 272 D CB -0.006 40.881 40.800 0.145 0.000 0.951 272 D HN 0.404 nan 8.370 nan 0.000 0.500 273 Q N 0.376 120.243 119.800 0.112 0.000 2.079 273 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 273 Q C 2.176 178.262 176.000 0.143 0.000 0.974 273 Q CA 0.988 56.871 55.803 0.135 0.000 0.840 273 Q CB -0.028 28.790 28.738 0.134 0.000 0.898 273 Q HN 0.361 nan 8.270 nan 0.000 0.430 274 Q N 0.039 119.928 119.800 0.148 0.000 2.124 274 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 274 Q C 2.122 178.224 176.000 0.170 0.000 0.977 274 Q CA 1.280 57.176 55.803 0.157 0.000 0.850 274 Q CB -0.193 28.645 28.738 0.167 0.000 0.901 274 Q HN 0.385 nan 8.270 nan 0.000 0.429 275 A N 0.909 123.842 122.820 0.188 0.000 1.902 275 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 275 A C 2.085 179.767 177.584 0.162 0.000 1.181 275 A CA 1.404 53.556 52.037 0.191 0.000 0.623 275 A CB -0.565 18.559 19.000 0.206 0.000 0.818 275 A HN 0.294 nan 8.150 nan 0.000 0.443 276 Q N -0.338 119.561 119.800 0.165 0.000 2.124 276 Q HA -0.202 4.137 4.340 -0.000 0.000 0.202 276 Q C 1.756 177.851 176.000 0.158 0.000 0.977 276 Q CA 1.777 57.679 55.803 0.164 0.000 0.850 276 Q CB -0.218 28.623 28.738 0.172 0.000 0.901 276 Q HN 0.688 nan 8.270 nan 0.000 0.429 277 E N 0.302 120.592 120.200 0.150 0.000 2.072 277 E HA -0.141 4.208 4.350 -0.000 0.000 0.191 277 E C 2.135 178.825 176.600 0.150 0.000 0.985 277 E CA 0.707 57.195 56.400 0.146 0.000 0.801 277 E CB -0.201 29.578 29.700 0.131 0.000 0.750 277 E HN 0.381 nan 8.360 nan 0.000 0.452 278 R N 0.601 121.188 120.500 0.146 0.000 2.096 278 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 278 R C 2.542 178.914 176.300 0.120 0.000 1.127 278 R CA 1.352 57.532 56.100 0.134 0.000 0.968 278 R CB -0.183 30.200 30.300 0.138 0.000 0.861 278 R HN 0.024 nan 8.270 nan 0.000 0.440 279 S N 0.508 116.283 115.700 0.126 0.000 2.368 279 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 279 S C 1.951 176.646 174.600 0.159 0.000 1.029 279 S CA 0.973 59.244 58.200 0.119 0.000 0.988 279 S CB -0.028 63.242 63.200 0.117 0.000 0.838 279 S HN 0.177 nan 8.310 nan 0.000 0.462 280 M N 1.738 121.446 119.600 0.181 0.000 2.117 280 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 280 M C 1.485 177.917 176.300 0.219 0.000 1.065 280 M CA 1.306 56.735 55.300 0.214 0.000 1.114 280 M CB -1.457 31.272 32.600 0.215 0.000 1.361 280 M HN 0.168 nan 8.290 nan 0.000 0.408 281 D N 0.184 120.700 120.400 0.194 0.000 2.144 281 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 281 D C 1.959 178.357 176.300 0.164 0.000 0.984 281 D CA 1.226 55.340 54.000 0.190 0.000 0.834 281 D CB -0.154 40.742 40.800 0.160 0.000 0.955 281 D HN 0.157 nan 8.370 nan 0.000 0.465 282 K N 0.007 120.477 120.400 0.117 0.000 2.366 282 K HA 0.010 4.330 4.320 -0.000 0.000 0.198 282 K C 1.736 178.472 176.600 0.226 0.000 1.044 282 K CA 0.495 56.806 56.287 0.041 0.000 0.973 282 K CB -0.438 32.035 32.500 -0.046 0.000 0.767 282 K HN 0.195 nan 8.250 nan 0.000 0.475 283 C N -1.136 118.336 119.300 0.286 0.000 2.742 283 C HA 0.266 4.726 4.460 -0.000 0.000 0.284 283 C C 2.209 177.432 174.990 0.388 0.000 1.481 283 C CA 0.042 59.293 59.018 0.387 0.000 1.809 283 C CB -0.942 27.029 27.740 0.385 0.000 1.991 283 C HN 0.535 nan 8.230 nan 0.000 0.660 284 L N 1.986 123.387 121.223 0.297 0.000 2.044 284 L HA 0.266 4.606 4.340 -0.000 0.000 0.205 284 L C 2.407 179.392 176.870 0.192 0.000 1.075 284 L CA 2.777 57.751 54.840 0.225 0.000 0.747 284 L CB -1.321 40.848 42.059 0.184 0.000 0.903 284 L HN 0.471 nan 8.230 nan 0.000 0.435 285 G N -1.348 107.579 108.800 0.212 0.000 2.432 285 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.219 285 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.219 285 G C 1.347 176.384 174.900 0.229 0.000 1.135 285 G CA 0.613 45.827 45.100 0.190 0.000 0.767 285 G HN 0.565 nan 8.290 nan 0.000 0.550 286 W N 1.162 122.462 121.300 0.001 0.000 2.321 286 W HA -0.043 4.617 4.660 -0.000 0.000 0.306 286 W C 1.695 177.954 176.519 -0.434 0.000 1.217 286 W CA 1.083 58.312 57.345 -0.194 0.000 1.257 286 W CB -0.577 28.665 29.460 -0.364 0.000 1.145 286 W HN 0.242 nan 8.180 nan 0.000 0.509 287 F N -1.704 118.353 119.950 0.179 0.000 2.602 287 F HA 0.071 4.598 4.527 -0.000 0.000 0.284 287 F C 1.950 177.692 175.800 -0.096 0.000 1.111 287 F CA 0.367 58.343 58.000 -0.040 0.000 1.405 287 F CB -1.240 37.651 39.000 -0.182 0.000 1.121 287 F HN -0.255 nan 8.300 nan 0.000 0.603 288 L N 0.490 121.727 121.223 0.022 0.000 2.072 288 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 288 L C 2.090 178.855 176.870 -0.175 0.000 1.079 288 L CA 1.902 56.636 54.840 -0.176 0.000 0.752 288 L CB -0.562 41.287 42.059 -0.350 0.000 0.906 288 L HN 0.065 nan 8.230 nan 0.000 0.436 289 E N -0.340 119.819 120.200 -0.067 0.000 2.072 289 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 289 E C -0.463 176.135 176.600 -0.003 0.000 0.985 289 E CA 1.261 57.677 56.400 0.026 0.000 0.801 289 E CB -0.946 28.850 29.700 0.159 0.000 0.750 289 E HN 0.463 nan 8.360 nan 0.000 0.452 290 P HA -0.192 nan 4.420 nan 0.000 0.215 290 P C 1.743 178.959 177.300 -0.139 0.000 1.157 290 P CA 1.607 64.590 63.100 -0.196 0.000 0.874 290 P CB -0.094 31.434 31.700 -0.287 0.000 0.790 291 V N -4.067 115.801 119.914 -0.076 0.000 2.871 291 V HA -0.062 4.058 4.120 -0.000 0.000 0.256 291 V C 1.935 178.134 176.094 0.174 0.000 1.082 291 V CA 1.346 63.670 62.300 0.041 0.000 1.105 291 V CB -1.245 30.602 31.823 0.039 0.000 0.713 291 V HN -0.073 nan 8.190 nan 0.000 0.473 292 V N 1.683 121.648 119.914 0.085 0.000 2.446 292 V HA 0.030 4.150 4.120 -0.000 0.000 0.244 292 V C 2.680 178.875 176.094 0.168 0.000 1.039 292 V CA 2.297 64.716 62.300 0.198 0.000 1.045 292 V CB -0.335 31.556 31.823 0.114 0.000 0.681 292 V HN 0.794 nan 8.190 nan 0.000 0.459 293 R N -0.634 119.929 120.500 0.104 0.000 2.521 293 R HA 0.398 4.738 4.340 -0.000 0.000 0.289 293 R C 1.330 177.656 176.300 0.045 0.000 0.936 293 R CA 0.910 57.066 56.100 0.092 0.000 1.089 293 R CB 0.866 31.239 30.300 0.122 0.000 1.348 293 R HN 0.350 nan 8.270 nan 0.000 0.536 294 G N 0.509 109.298 108.800 -0.019 0.000 2.176 294 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 294 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 294 G C -0.535 174.312 174.900 -0.088 0.000 0.986 294 G CA 0.260 45.303 45.100 -0.096 0.000 0.643 294 G HN 0.514 nan 8.290 nan 0.000 0.522 295 D N -1.710 118.679 120.400 -0.019 0.000 2.599 295 D HA 0.564 5.204 4.640 -0.000 0.000 0.252 295 D C -0.192 176.130 176.300 0.037 0.000 1.232 295 D CA -0.661 53.372 54.000 0.054 0.000 0.819 295 D CB 0.665 41.573 40.800 0.180 0.000 1.401 295 D HN -0.004 nan 8.370 nan 0.000 0.429 296 Y N 0.388 120.822 120.300 0.222 0.000 2.426 296 Y HA 0.290 4.839 4.550 -0.000 0.000 0.344 296 Y C -1.479 174.496 175.900 0.126 0.000 1.256 296 Y CA -1.208 56.985 58.100 0.155 0.000 1.451 296 Y CB -0.272 38.242 38.460 0.089 0.000 1.342 296 Y HN 0.146 nan 8.280 nan 0.000 0.600 297 P HA -0.081 nan 4.420 nan 0.000 0.266 297 P C 0.483 177.912 177.300 0.216 0.000 1.195 297 P CA 0.225 63.475 63.100 0.249 0.000 0.768 297 P CB 0.337 32.168 31.700 0.219 0.000 0.838 298 F N 3.181 123.196 119.950 0.108 0.000 2.120 298 F HA -0.304 4.223 4.527 -0.000 0.000 0.300 298 F C 2.248 178.075 175.800 0.045 0.000 1.095 298 F CA 2.589 60.634 58.000 0.076 0.000 1.249 298 F CB -0.566 38.475 39.000 0.068 0.000 0.995 298 F HN 0.335 nan 8.300 nan 0.000 0.480 299 S N 0.178 116.009 115.700 0.218 0.000 2.399 299 S HA -0.274 4.195 4.470 -0.000 0.000 0.231 299 S C 2.030 176.596 174.600 -0.058 0.000 1.022 299 S CA 1.506 59.770 58.200 0.108 0.000 0.983 299 S CB -0.786 62.509 63.200 0.157 0.000 0.803 299 S HN 0.548 nan 8.310 nan 0.000 0.480 300 M N 0.915 120.474 119.600 -0.069 0.000 2.132 300 M HA 0.000 4.480 4.480 -0.000 0.000 0.263 300 M C 2.770 178.911 176.300 -0.265 0.000 1.065 300 M CA 1.355 56.556 55.300 -0.164 0.000 1.122 300 M CB -0.326 32.164 32.600 -0.184 0.000 1.365 300 M HN 0.318 nan 8.290 nan 0.000 0.411 301 R N -0.530 119.797 120.500 -0.288 0.000 2.075 301 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 301 R C 2.207 178.284 176.300 -0.372 0.000 1.126 301 R CA 1.184 57.074 56.100 -0.350 0.000 0.963 301 R CB -0.649 29.460 30.300 -0.318 0.000 0.858 301 R HN 0.233 nan 8.270 nan 0.000 0.435 302 V N 0.479 120.093 119.914 -0.500 0.000 2.626 302 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 302 V C 2.289 178.248 176.094 -0.225 0.000 1.067 302 V CA 2.052 64.104 62.300 -0.414 0.000 1.081 302 V CB 0.078 31.589 31.823 -0.519 0.000 0.686 302 V HN 0.306 nan 8.190 nan 0.000 0.468 303 S N -0.425 115.164 115.700 -0.186 0.000 2.336 303 S HA 0.029 4.499 4.470 -0.000 0.000 0.216 303 S C 1.951 176.479 174.600 -0.120 0.000 1.032 303 S CA 1.307 59.452 58.200 -0.092 0.000 0.973 303 S CB -0.234 62.964 63.200 -0.004 0.000 0.888 303 S HN 0.729 nan 8.310 nan 0.000 0.455 304 A N 1.218 123.904 122.820 -0.225 0.000 2.195 304 A HA 0.327 4.647 4.320 -0.000 0.000 0.210 304 A C 1.185 178.564 177.584 -0.341 0.000 1.165 304 A CA 0.191 52.033 52.037 -0.325 0.000 0.806 304 A CB -0.269 18.389 19.000 -0.571 0.000 0.847 304 A HN 0.470 nan 8.150 nan 0.000 0.482 305 R N 0.108 120.431 120.500 -0.294 0.000 3.812 305 R HA -0.226 4.114 4.340 -0.000 0.000 0.448 305 R C 0.444 176.594 176.300 -0.250 0.000 0.241 305 R CA 1.888 57.851 56.100 -0.228 0.000 1.418 305 R CB -1.941 28.267 30.300 -0.153 0.000 0.951 305 R HN 0.449 nan 8.270 nan 0.000 0.584 306 D N 1.470 121.758 120.400 -0.187 0.000 2.350 306 D HA -0.032 4.607 4.640 -0.000 0.000 0.216 306 D C 1.816 177.969 176.300 -0.245 0.000 0.968 306 D CA 0.775 54.677 54.000 -0.164 0.000 0.894 306 D CB -0.221 40.515 40.800 -0.107 0.000 0.909 306 D HN 0.301 nan 8.370 nan 0.000 0.520 307 R N 0.019 120.311 120.500 -0.347 0.000 2.280 307 R HA 0.043 4.383 4.340 -0.000 0.000 0.207 307 R C 0.177 176.090 176.300 -0.645 0.000 1.043 307 R CA 0.218 56.048 56.100 -0.450 0.000 1.006 307 R CB 0.458 30.457 30.300 -0.502 0.000 0.885 307 R HN -0.001 nan 8.270 nan 0.000 0.467 308 V N 3.366 122.883 119.914 -0.663 0.000 2.318 308 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 308 V C -2.112 173.628 176.094 -0.591 0.000 1.030 308 V CA -2.147 59.731 62.300 -0.704 0.000 0.844 308 V CB 1.058 32.424 31.823 -0.761 0.000 1.015 308 V HN -0.025 nan 8.190 nan 0.000 0.460 309 P HA 0.219 nan 4.420 nan 0.000 0.271 309 P C -1.054 175.825 177.300 -0.701 0.000 1.233 309 P CA -0.094 62.600 63.100 -0.676 0.000 0.789 309 P CB 0.397 31.420 31.700 -1.128 0.000 0.951 310 Y N -0.254 119.844 120.300 -0.337 0.000 2.387 310 Y HA 0.402 4.952 4.550 -0.000 0.000 0.336 310 Y C 0.468 176.345 175.900 -0.038 0.000 1.067 310 Y CA -0.232 57.800 58.100 -0.114 0.000 1.114 310 Y CB 0.683 39.130 38.460 -0.021 0.000 1.208 310 Y HN 0.223 nan 8.280 nan 0.000 0.458 311 F N 2.481 122.672 119.950 0.402 0.000 2.418 311 F HA 0.264 4.791 4.527 -0.000 0.000 0.341 311 F C 0.596 176.522 175.800 0.209 0.000 1.120 311 F CA -0.461 57.716 58.000 0.294 0.000 1.232 311 F CB 0.589 39.675 39.000 0.144 0.000 1.175 311 F HN 0.268 nan 8.300 nan 0.000 0.569 312 K N 1.562 122.170 120.400 0.347 0.000 2.168 312 K HA 0.011 4.331 4.320 -0.000 0.000 0.258 312 K C 1.211 177.918 176.600 0.180 0.000 1.010 312 K CA -0.352 56.062 56.287 0.212 0.000 0.929 312 K CB 0.753 33.348 32.500 0.159 0.000 0.998 312 K HN 0.739 nan 8.250 nan 0.000 0.479 313 E N 1.837 122.110 120.200 0.122 0.000 2.058 313 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 313 E C 1.548 178.192 176.600 0.072 0.000 0.997 313 E CA 1.727 58.181 56.400 0.092 0.000 0.801 313 E CB 0.156 29.894 29.700 0.064 0.000 0.746 313 E HN 0.379 nan 8.360 nan 0.000 0.450 314 K N 0.887 121.327 120.400 0.066 0.000 2.057 314 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 314 K C 1.895 178.522 176.600 0.044 0.000 1.050 314 K CA 1.766 58.082 56.287 0.047 0.000 0.935 314 K CB -0.052 32.475 32.500 0.044 0.000 0.715 314 K HN 0.229 nan 8.250 nan 0.000 0.439 315 E N 0.057 120.298 120.200 0.069 0.000 2.058 315 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 315 E C 2.149 178.738 176.600 -0.018 0.000 0.997 315 E CA 1.455 57.888 56.400 0.054 0.000 0.801 315 E CB -0.100 29.686 29.700 0.143 0.000 0.746 315 E HN 0.441 nan 8.360 nan 0.000 0.450 316 Q N 0.739 120.544 119.800 0.008 0.000 2.124 316 Q HA -0.213 4.126 4.340 -0.000 0.000 0.202 316 Q C 1.882 177.851 176.000 -0.052 0.000 0.977 316 Q CA 1.387 57.153 55.803 -0.061 0.000 0.850 316 Q CB 0.120 28.886 28.738 0.047 0.000 0.901 316 Q HN 0.288 nan 8.270 nan 0.000 0.429 317 E N 0.079 120.274 120.200 -0.010 0.000 2.077 317 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 317 E C 1.942 178.528 176.600 -0.022 0.000 0.989 317 E CA 1.198 57.593 56.400 -0.009 0.000 0.800 317 E CB 0.080 29.781 29.700 0.003 0.000 0.746 317 E HN 0.250 nan 8.360 nan 0.000 0.452 318 K N 0.461 120.846 120.400 -0.026 0.000 2.148 318 K HA -0.055 4.264 4.320 -0.000 0.000 0.204 318 K C 2.191 178.768 176.600 -0.037 0.000 1.050 318 K CA 0.558 56.828 56.287 -0.028 0.000 0.942 318 K CB -0.012 32.477 32.500 -0.017 0.000 0.724 318 K HN 0.121 nan 8.250 nan 0.000 0.446 319 L N 1.293 122.468 121.223 -0.079 0.000 2.056 319 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 319 L C 0.390 177.243 176.870 -0.028 0.000 1.078 319 L CA 0.592 55.372 54.840 -0.101 0.000 0.749 319 L CB 0.083 41.942 42.059 -0.335 0.000 0.901 319 L HN -0.063 nan 8.230 nan 0.000 0.433 320 V N 1.260 121.154 119.914 -0.033 0.000 2.493 320 V HA 0.099 4.219 4.120 -0.000 0.000 0.292 320 V C 1.226 177.340 176.094 0.033 0.000 1.016 320 V CA 0.999 63.308 62.300 0.016 0.000 1.097 320 V CB -0.068 31.761 31.823 0.009 0.000 0.947 320 V HN 0.669 nan 8.190 nan 0.000 0.479 321 G N 4.307 113.163 108.800 0.094 0.000 2.176 321 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 321 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 321 G C 0.454 175.285 174.900 -0.116 0.000 1.024 321 G CA 0.278 45.340 45.100 -0.064 0.000 0.755 321 G HN 1.305 nan 8.290 nan 0.000 0.507 322 S N -0.192 115.600 115.700 0.154 0.000 3.811 322 S HA 0.574 5.043 4.470 -0.000 0.000 0.205 322 S C 0.027 174.852 174.600 0.375 0.000 1.445 322 S CA 0.213 58.522 58.200 0.182 0.000 1.097 322 S CB -0.766 62.550 63.200 0.193 0.000 1.350 322 S HN 1.709 nan 8.310 nan 0.000 0.471 323 Y N -2.786 117.587 120.300 0.123 0.000 2.565 323 Y HA 0.541 5.091 4.550 -0.000 0.000 0.330 323 Y C -0.604 175.355 175.900 0.098 0.000 1.150 323 Y CA -1.233 56.945 58.100 0.130 0.000 1.055 323 Y CB 0.388 38.929 38.460 0.134 0.000 1.337 323 Y HN 0.014 nan 8.280 nan 0.000 0.457 324 D N 3.281 123.776 120.400 0.160 0.000 2.392 324 D HA 0.080 4.720 4.640 -0.000 0.000 0.206 324 D C 0.396 176.846 176.300 0.251 0.000 1.046 324 D CA 1.063 55.134 54.000 0.119 0.000 0.865 324 D CB 0.731 41.597 40.800 0.110 0.000 0.969 324 D HN 0.623 nan 8.370 nan 0.000 0.509 325 M N -0.233 119.580 119.600 0.355 0.000 2.643 325 M HA 0.358 4.838 4.480 -0.000 0.000 0.276 325 M C -2.323 174.156 176.300 0.299 0.000 1.200 325 M CA -0.750 54.765 55.300 0.359 0.000 0.863 325 M CB 2.251 35.105 32.600 0.424 0.000 1.711 325 M HN -0.398 nan 8.290 nan 0.000 0.492 326 I N 1.845 122.543 120.570 0.212 0.000 2.406 326 I HA 0.590 4.760 4.170 -0.000 0.000 0.290 326 I C 0.639 176.842 176.117 0.143 0.000 0.999 326 I CA -0.186 61.168 61.300 0.090 0.000 1.124 326 I CB 1.405 39.378 38.000 -0.045 0.000 1.289 326 I HN 0.937 nan 8.210 nan 0.000 0.441 327 G N 6.937 115.804 108.800 0.110 0.000 2.372 327 G HA2 0.540 4.500 3.960 -0.000 0.000 0.283 327 G HA3 0.540 4.500 3.960 -0.000 0.000 0.283 327 G C -0.378 174.559 174.900 0.063 0.000 1.177 327 G CA -0.298 44.866 45.100 0.106 0.000 0.842 327 G HN 0.379 nan 8.290 nan 0.000 0.503 328 I N 2.309 122.930 120.570 0.085 0.000 2.362 328 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 328 I C -0.787 175.371 176.117 0.069 0.000 0.994 328 I CA -1.226 60.122 61.300 0.080 0.000 1.158 328 I CB 1.505 39.568 38.000 0.106 0.000 1.315 328 I HN 0.284 nan 8.210 nan 0.000 0.451 329 N N 6.341 125.066 118.700 0.041 0.000 2.457 329 N HA 0.236 4.975 4.740 -0.000 0.000 0.250 329 N C -1.005 174.507 175.510 0.003 0.000 0.982 329 N CA -0.255 52.787 53.050 -0.014 0.000 0.941 329 N CB 0.910 39.399 38.487 0.004 0.000 1.120 329 N HN 0.405 nan 8.380 nan 0.000 0.505 330 Y N 2.260 122.438 120.300 -0.203 0.000 2.341 330 Y HA 0.334 4.884 4.550 -0.000 0.000 0.338 330 Y C -0.508 175.213 175.900 -0.297 0.000 0.965 330 Y CA -0.532 57.502 58.100 -0.110 0.000 1.108 330 Y CB 0.690 39.171 38.460 0.034 0.000 1.180 330 Y HN 0.536 nan 8.280 nan 0.000 0.458 331 Y N 1.851 121.713 120.300 -0.730 0.000 2.736 331 Y HA 0.304 4.854 4.550 -0.000 0.000 0.272 331 Y C 0.963 176.571 175.900 -0.488 0.000 1.118 331 Y CA 0.529 58.387 58.100 -0.405 0.000 1.248 331 Y CB 1.079 39.458 38.460 -0.135 0.000 1.437 331 Y HN 0.579 nan 8.280 nan 0.000 0.481 332 T N -1.435 112.868 114.554 -0.418 0.000 2.693 332 T HA 0.618 4.968 4.350 -0.000 0.000 0.304 332 T C -1.526 173.367 174.700 0.323 0.000 1.471 332 T CA -0.528 61.620 62.100 0.079 0.000 0.993 332 T CB 1.212 70.242 68.868 0.270 0.000 1.554 332 T HN -0.072 nan 8.240 nan 0.000 0.496 333 S N 0.343 116.273 115.700 0.385 0.000 2.588 333 S HA 0.863 5.333 4.470 -0.000 0.000 0.275 333 S C -0.828 173.814 174.600 0.071 0.000 1.130 333 S CA -0.674 57.719 58.200 0.321 0.000 0.855 333 S CB 1.918 65.320 63.200 0.336 0.000 1.116 333 S HN 1.093 nan 8.310 nan 0.000 0.472 334 T N -0.934 113.620 114.554 -0.001 0.000 2.864 334 T HA 0.783 5.133 4.350 -0.000 0.000 0.289 334 T C -0.870 173.701 174.700 -0.214 0.000 1.082 334 T CA -0.726 61.305 62.100 -0.114 0.000 1.009 334 T CB 0.421 69.292 68.868 0.005 0.000 1.234 334 T HN 0.288 nan 8.240 nan 0.000 0.526 335 F N 1.038 121.028 119.950 0.067 0.000 2.382 335 F HA 0.548 5.075 4.527 -0.000 0.000 0.331 335 F C 1.065 176.946 175.800 0.134 0.000 1.121 335 F CA -0.370 57.706 58.000 0.127 0.000 1.183 335 F CB 1.310 40.444 39.000 0.223 0.000 1.207 335 F HN 0.494 nan 8.300 nan 0.000 0.555 336 S N 2.211 118.117 115.700 0.343 0.000 2.478 336 S HA 0.393 4.863 4.470 -0.000 0.000 0.312 336 S C -0.704 174.022 174.600 0.211 0.000 1.094 336 S CA -0.938 57.391 58.200 0.214 0.000 1.081 336 S CB 1.340 64.644 63.200 0.174 0.000 1.007 336 S HN 0.483 nan 8.310 nan 0.000 0.475 337 K N 2.131 122.578 120.400 0.080 0.000 2.345 337 K HA 0.312 4.632 4.320 -0.000 0.000 0.255 337 K C -0.670 175.937 176.600 0.012 0.000 0.934 337 K CA -0.701 55.573 56.287 -0.021 0.000 0.801 337 K CB 0.963 33.217 32.500 -0.410 0.000 1.137 337 K HN 0.826 nan 8.250 nan 0.000 0.424 338 H N 3.665 122.720 119.070 -0.026 0.000 2.897 338 H HA 0.162 4.718 4.556 -0.000 0.000 0.347 338 H C -0.758 174.566 175.328 -0.006 0.000 1.068 338 H CA 0.514 56.565 56.048 0.005 0.000 1.426 338 H CB 0.384 30.148 29.762 0.003 0.000 1.410 338 H HN 0.423 nan 8.280 nan 0.000 0.597 339 I N 4.741 124.955 120.570 -0.594 0.000 2.433 339 I HA 0.130 4.300 4.170 -0.000 0.000 0.292 339 I C -0.264 175.454 176.117 -0.665 0.000 1.001 339 I CA -0.970 60.048 61.300 -0.471 0.000 1.119 339 I CB 1.611 39.497 38.000 -0.191 0.000 1.289 339 I HN 0.653 nan 8.210 nan 0.000 0.438 340 D N 5.177 125.354 120.400 -0.370 0.000 2.372 340 D HA 0.102 4.741 4.640 -0.000 0.000 0.243 340 D C -0.300 176.031 176.300 0.051 0.000 1.121 340 D CA -0.161 53.797 54.000 -0.071 0.000 0.898 340 D CB 1.608 42.458 40.800 0.083 0.000 1.202 340 D HN 0.121 nan 8.370 nan 0.000 0.428 341 L N 2.717 123.937 121.223 -0.005 0.000 2.315 341 L HA 0.222 4.562 4.340 -0.000 0.000 0.283 341 L C -0.197 176.688 176.870 0.025 0.000 1.089 341 L CA 0.230 55.046 54.840 -0.041 0.000 0.833 341 L CB -0.680 41.201 42.059 -0.297 0.000 1.170 341 L HN 0.462 nan 8.230 nan 0.000 0.442 342 S N 4.832 120.575 115.700 0.072 0.000 2.615 342 S HA 0.651 5.120 4.470 -0.000 0.000 0.269 342 S C -2.417 172.206 174.600 0.039 0.000 1.161 342 S CA -0.847 57.377 58.200 0.040 0.000 0.817 342 S CB 1.450 64.670 63.200 0.034 0.000 1.131 342 S HN 0.397 nan 8.310 nan 0.000 0.467 343 P HA 0.070 nan 4.420 nan 0.000 0.225 343 P C 0.592 177.897 177.300 0.008 0.000 1.148 343 P CA 0.894 64.002 63.100 0.013 0.000 0.779 343 P CB -0.142 31.561 31.700 0.006 0.000 0.780 344 N N -1.170 117.535 118.700 0.009 0.000 2.463 344 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 344 N C 0.363 175.867 175.510 -0.009 0.000 1.078 344 N CA 0.513 53.563 53.050 -0.001 0.000 0.902 344 N CB -0.354 38.132 38.487 -0.002 0.000 0.970 344 N HN 0.206 nan 8.380 nan 0.000 0.451 345 N N 0.268 118.970 118.700 0.004 0.000 2.372 345 N HA 0.199 4.939 4.740 -0.000 0.000 0.285 345 N C -1.465 174.031 175.510 -0.022 0.000 1.008 345 N CA 0.054 53.092 53.050 -0.020 0.000 0.880 345 N CB 1.046 39.526 38.487 -0.011 0.000 1.239 345 N HN -0.237 nan 8.380 nan 0.000 0.484 346 S N 3.303 118.965 115.700 -0.063 0.000 2.707 346 S HA 0.428 4.898 4.470 -0.000 0.000 0.303 346 S C -2.538 171.994 174.600 -0.113 0.000 1.132 346 S CA -0.791 57.370 58.200 -0.066 0.000 1.046 346 S CB 1.616 64.787 63.200 -0.047 0.000 1.004 346 S HN 0.504 nan 8.310 nan 0.000 0.483 347 P HA 0.119 nan 4.420 nan 0.000 0.264 347 P C 0.216 177.443 177.300 -0.121 0.000 1.183 347 P CA -0.125 62.868 63.100 -0.178 0.000 0.763 347 P CB 0.659 32.249 31.700 -0.184 0.000 0.807 348 V N 2.431 122.273 119.914 -0.121 0.000 2.911 348 V HA 0.111 4.231 4.120 -0.000 0.000 0.237 348 V C 0.861 176.899 176.094 -0.094 0.000 1.156 348 V CA 0.673 62.916 62.300 -0.095 0.000 1.180 348 V CB -0.261 31.509 31.823 -0.088 0.000 0.932 348 V HN 0.335 nan 8.190 nan 0.000 0.483 349 L N 1.702 122.858 121.223 -0.111 0.000 2.344 349 L HA 0.401 4.740 4.340 -0.000 0.000 0.272 349 L C 1.572 178.369 176.870 -0.122 0.000 1.035 349 L CA -0.443 54.329 54.840 -0.113 0.000 0.807 349 L CB 0.907 42.892 42.059 -0.122 0.000 1.237 349 L HN 0.294 nan 8.230 nan 0.000 0.442 350 N N 0.194 118.818 118.700 -0.128 0.000 2.137 350 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 350 N C 1.267 176.649 175.510 -0.213 0.000 1.017 350 N CA 2.088 55.038 53.050 -0.167 0.000 0.859 350 N CB -0.867 37.387 38.487 -0.388 0.000 1.002 350 N HN 0.854 nan 8.380 nan 0.000 0.428 351 T N -2.140 112.297 114.554 -0.195 0.000 3.007 351 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 351 T C 1.110 175.707 174.700 -0.172 0.000 1.107 351 T CA 1.051 63.046 62.100 -0.175 0.000 1.118 351 T CB -0.173 68.614 68.868 -0.135 0.000 0.889 351 T HN 0.029 nan 8.240 nan 0.000 0.506 352 D N 1.776 122.062 120.400 -0.190 0.000 2.310 352 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 352 D C 1.477 177.573 176.300 -0.340 0.000 0.965 352 D CA 0.608 54.454 54.000 -0.257 0.000 0.879 352 D CB -0.317 40.328 40.800 -0.257 0.000 0.921 352 D HN 0.411 nan 8.370 nan 0.000 0.510 353 D N 0.393 120.664 120.400 -0.216 0.000 2.310 353 D HA -0.061 4.578 4.640 -0.000 0.000 0.212 353 D C 1.759 178.059 176.300 -0.001 0.000 0.965 353 D CA 0.382 54.307 54.000 -0.125 0.000 0.879 353 D CB 0.010 40.772 40.800 -0.062 0.000 0.921 353 D HN 0.153 nan 8.370 nan 0.000 0.510 354 A N -0.241 122.544 122.820 -0.058 0.000 2.206 354 A HA -0.084 4.235 4.320 -0.000 0.000 0.211 354 A C 0.111 177.778 177.584 0.139 0.000 1.158 354 A CA -0.076 51.986 52.037 0.042 0.000 0.761 354 A CB -0.660 18.340 19.000 -0.001 0.000 0.801 354 A HN 0.243 nan 8.150 nan 0.000 0.473 355 Y N -2.288 117.970 120.300 -0.070 0.000 3.108 355 Y HA -0.152 4.398 4.550 -0.000 0.000 0.208 355 Y C 0.533 176.369 175.900 -0.106 0.000 1.245 355 Y CA 0.504 58.545 58.100 -0.099 0.000 1.171 355 Y CB -1.948 36.458 38.460 -0.090 0.000 1.331 355 Y HN 0.697 nan 8.280 nan 0.000 0.534 356 A N -0.040 122.756 122.820 -0.041 0.000 2.547 356 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 356 A C -0.229 177.314 177.584 -0.068 0.000 1.056 356 A CA -0.167 51.855 52.037 -0.024 0.000 0.688 356 A CB 1.101 20.126 19.000 0.042 0.000 1.282 356 A HN 0.618 nan 8.150 nan 0.000 0.400 357 S N 1.624 117.280 115.700 -0.073 0.000 2.525 357 S HA 0.643 5.113 4.470 -0.000 0.000 0.290 357 S C -0.764 173.814 174.600 -0.036 0.000 1.152 357 S CA -0.731 57.421 58.200 -0.079 0.000 1.072 357 S CB 1.303 64.438 63.200 -0.107 0.000 1.027 357 S HN 0.574 nan 8.310 nan 0.000 0.500 358 Q N 2.374 122.152 119.800 -0.036 0.000 2.360 358 Q HA 0.413 4.753 4.340 -0.000 0.000 0.254 358 Q C -0.539 175.481 176.000 0.034 0.000 0.975 358 Q CA -0.118 55.683 55.803 -0.002 0.000 0.912 358 Q CB 0.938 29.634 28.738 -0.071 0.000 1.212 358 Q HN 0.678 nan 8.270 nan 0.000 0.452 359 E N 1.485 121.763 120.200 0.129 0.000 2.166 359 E HA 0.197 4.547 4.350 -0.000 0.000 0.275 359 E C 0.650 177.413 176.600 0.272 0.000 0.941 359 E CA -0.307 56.205 56.400 0.187 0.000 0.784 359 E CB 1.673 31.519 29.700 0.244 0.000 1.115 359 E HN 0.568 nan 8.360 nan 0.000 0.399 360 T N -0.787 113.891 114.554 0.207 0.000 3.067 360 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 360 T C 0.568 175.445 174.700 0.295 0.000 1.105 360 T CA 0.419 62.642 62.100 0.204 0.000 1.104 360 T CB 0.284 69.236 68.868 0.139 0.000 0.925 360 T HN 0.105 nan 8.240 nan 0.000 0.498 361 K N 1.337 121.911 120.400 0.289 0.000 2.182 361 K HA 0.612 4.932 4.320 -0.000 0.000 0.262 361 K C 0.436 177.124 176.600 0.146 0.000 0.957 361 K CA -0.864 55.565 56.287 0.236 0.000 0.842 361 K CB 1.964 34.546 32.500 0.136 0.000 1.099 361 K HN 0.257 nan 8.250 nan 0.000 0.438 362 G N 1.792 110.467 108.800 -0.208 0.000 2.563 362 G HA2 0.157 4.117 3.960 -0.000 0.000 0.283 362 G HA3 0.157 4.117 3.960 -0.000 0.000 0.283 362 G C -1.497 173.018 174.900 -0.643 0.000 1.309 362 G CA -1.030 43.461 45.100 -1.015 0.000 1.022 362 G HN 0.344 nan 8.290 nan 0.000 0.501 363 P HA -0.023 nan 4.420 nan 0.000 0.229 363 P C 0.530 177.674 177.300 -0.261 0.000 1.160 363 P CA 1.105 63.863 63.100 -0.571 0.000 0.777 363 P CB 0.186 31.467 31.700 -0.699 0.000 0.814 364 D N -1.278 118.970 120.400 -0.253 0.000 2.328 364 D HA 0.112 4.752 4.640 -0.000 0.000 0.226 364 D C 1.443 177.699 176.300 -0.072 0.000 1.066 364 D CA 0.366 54.291 54.000 -0.125 0.000 0.861 364 D CB -0.816 39.924 40.800 -0.100 0.000 0.912 364 D HN 0.230 nan 8.370 nan 0.000 0.521 365 G N -0.112 108.644 108.800 -0.074 0.000 2.176 365 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 365 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 365 G C -0.042 174.866 174.900 0.013 0.000 0.979 365 G CA -0.175 44.916 45.100 -0.014 0.000 0.641 365 G HN 0.401 nan 8.290 nan 0.000 0.530 366 N N 1.031 119.736 118.700 0.008 0.000 2.498 366 N HA 0.654 5.394 4.740 -0.000 0.000 0.287 366 N C 0.607 176.192 175.510 0.124 0.000 1.097 366 N CA 0.496 53.582 53.050 0.060 0.000 0.973 366 N CB 1.430 39.955 38.487 0.063 0.000 1.153 366 N HN 0.707 nan 8.380 nan 0.000 0.472 367 A N 1.648 124.548 122.820 0.133 0.000 2.520 367 A HA 0.030 4.349 4.320 -0.000 0.000 0.235 367 A C 1.681 179.386 177.584 0.203 0.000 1.065 367 A CA -0.229 51.909 52.037 0.168 0.000 0.764 367 A CB -0.148 18.925 19.000 0.121 0.000 1.002 367 A HN 0.887 nan 8.150 nan 0.000 0.502 368 I N 0.636 121.308 120.570 0.170 0.000 2.335 368 I HA 0.040 4.209 4.170 -0.000 0.000 0.251 368 I C 1.037 177.150 176.117 -0.007 0.000 1.129 368 I CA 1.804 63.053 61.300 -0.084 0.000 1.402 368 I CB 0.006 37.648 38.000 -0.598 0.000 1.069 368 I HN 0.789 nan 8.210 nan 0.000 0.424 369 G N -0.395 108.459 108.800 0.089 0.000 2.559 369 G HA2 0.394 4.354 3.960 -0.000 0.000 0.291 369 G HA3 0.394 4.354 3.960 -0.000 0.000 0.291 369 G C -3.088 171.893 174.900 0.135 0.000 1.424 369 G CA -0.740 44.461 45.100 0.167 0.000 0.786 369 G HN -0.144 nan 8.290 nan 0.000 0.485 370 P HA 0.336 nan 4.420 nan 0.000 0.274 370 P C -2.635 174.724 177.300 0.098 0.000 1.231 370 P CA -1.311 61.849 63.100 0.100 0.000 0.790 370 P CB 0.951 32.704 31.700 0.087 0.000 0.951 371 P HA 0.035 nan 4.420 nan 0.000 0.271 371 P C 0.663 177.982 177.300 0.033 0.000 1.218 371 P CA 0.250 63.379 63.100 0.049 0.000 0.780 371 P CB 0.195 31.918 31.700 0.038 0.000 0.901 372 T N -2.044 112.504 114.554 -0.010 0.000 3.010 372 T HA 0.421 4.770 4.350 -0.000 0.000 0.257 372 T C 1.098 175.738 174.700 -0.101 0.000 1.020 372 T CA 0.649 62.724 62.100 -0.042 0.000 0.938 372 T CB 0.061 68.879 68.868 -0.083 0.000 1.049 372 T HN 0.562 nan 8.240 nan 0.000 0.522 373 G N 2.301 111.045 108.800 -0.093 0.000 4.172 373 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.204 373 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.204 373 G C 0.058 174.914 174.900 -0.074 0.000 1.256 373 G CA -0.016 45.029 45.100 -0.093 0.000 0.886 373 G HN 0.758 nan 8.290 nan 0.000 0.344 374 N N 1.315 119.945 118.700 -0.117 0.000 2.443 374 N HA 0.651 5.391 4.740 -0.000 0.000 0.294 374 N C 1.448 176.973 175.510 0.025 0.000 1.289 374 N CA 0.664 53.692 53.050 -0.037 0.000 0.966 374 N CB 0.341 38.808 38.487 -0.033 0.000 1.122 374 N HN 0.728 nan 8.380 nan 0.000 0.569 375 A N -1.691 121.220 122.820 0.152 0.000 2.169 375 A HA 0.066 4.386 4.320 -0.000 0.000 0.212 375 A C 0.909 178.664 177.584 0.285 0.000 1.153 375 A CA 0.824 52.985 52.037 0.206 0.000 0.756 375 A CB -0.931 18.211 19.000 0.236 0.000 0.813 375 A HN 0.812 nan 8.150 nan 0.000 0.471 376 W N -2.377 118.974 121.300 0.085 0.000 2.340 376 W HA 0.396 5.056 4.660 -0.000 0.000 0.250 376 W C -0.492 176.109 176.519 0.137 0.000 0.952 376 W CA -0.261 57.145 57.345 0.102 0.000 1.219 376 W CB -0.154 29.370 29.460 0.107 0.000 0.921 376 W HN -0.011 nan 8.180 nan 0.000 0.603 377 I N 4.740 125.015 120.570 -0.492 0.000 2.278 377 I HA 0.106 4.276 4.170 -0.000 0.000 0.296 377 I C -0.279 175.798 176.117 -0.067 0.000 1.121 377 I CA 0.076 61.123 61.300 -0.423 0.000 1.267 377 I CB -0.186 37.414 38.000 -0.666 0.000 1.447 377 I HN -0.157 nan 8.210 nan 0.000 0.509 378 N N 6.409 125.161 118.700 0.086 0.000 2.498 378 N HA 0.277 5.017 4.740 -0.000 0.000 0.287 378 N C -0.367 175.295 175.510 0.253 0.000 1.097 378 N CA -0.649 52.491 53.050 0.149 0.000 0.973 378 N CB 1.731 40.300 38.487 0.137 0.000 1.153 378 N HN 0.425 nan 8.380 nan 0.000 0.472 379 M N 3.032 122.792 119.600 0.265 0.000 2.156 379 M HA 0.121 4.601 4.480 -0.000 0.000 0.345 379 M C -1.594 174.906 176.300 0.334 0.000 1.398 379 M CA 0.112 55.609 55.300 0.328 0.000 1.148 379 M CB -0.315 32.438 32.600 0.254 0.000 1.663 379 M HN 0.501 nan 8.290 nan 0.000 0.464 380 Y N 8.131 128.543 120.300 0.187 0.000 2.542 380 Y HA 0.417 4.967 4.550 -0.000 0.000 0.316 380 Y C -2.377 173.601 175.900 0.131 0.000 1.107 380 Y CA -1.785 56.395 58.100 0.134 0.000 1.233 380 Y CB 0.710 39.266 38.460 0.159 0.000 1.111 380 Y HN 0.625 nan 8.280 nan 0.000 0.613 381 P HA -0.191 nan 4.420 nan 0.000 0.219 381 P C 1.389 178.446 177.300 -0.405 0.000 1.146 381 P CA 1.348 64.111 63.100 -0.562 0.000 0.808 381 P CB 0.398 31.599 31.700 -0.831 0.000 0.779 382 K N 0.306 120.353 120.400 -0.589 0.000 2.152 382 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 382 K C 2.225 178.673 176.600 -0.254 0.000 1.048 382 K CA 1.646 57.640 56.287 -0.489 0.000 0.933 382 K CB -1.022 31.084 32.500 -0.658 0.000 0.721 382 K HN 0.080 nan 8.250 nan 0.000 0.447 383 G N 1.426 110.125 108.800 -0.168 0.000 2.450 383 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 383 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 383 G C 1.400 176.179 174.900 -0.203 0.000 1.130 383 G CA 0.571 45.762 45.100 0.152 0.000 0.760 383 G HN 0.300 nan 8.290 nan 0.000 0.557 384 L N -0.248 120.639 121.223 -0.560 0.000 2.056 384 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 384 L C 2.647 179.403 176.870 -0.189 0.000 1.078 384 L CA 1.795 56.256 54.840 -0.632 0.000 0.749 384 L CB -0.504 41.258 42.059 -0.494 0.000 0.901 384 L HN 0.428 nan 8.230 nan 0.000 0.433 385 H N 0.067 119.032 119.070 -0.176 0.000 2.353 385 H HA -0.209 4.347 4.556 -0.000 0.000 0.300 385 H C 1.581 176.889 175.328 -0.034 0.000 1.090 385 H CA 2.040 58.039 56.048 -0.081 0.000 1.327 385 H CB 0.047 29.758 29.762 -0.085 0.000 1.383 385 H HN 0.380 nan 8.280 nan 0.000 0.508 386 D N 0.825 121.193 120.400 -0.054 0.000 2.104 386 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 386 D C 2.568 178.837 176.300 -0.051 0.000 0.994 386 D CA 1.242 55.217 54.000 -0.041 0.000 0.830 386 D CB -0.396 40.476 40.800 0.119 0.000 0.959 386 D HN 0.464 nan 8.370 nan 0.000 0.452 387 I N 0.398 120.960 120.570 -0.014 0.000 2.226 387 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 387 I C 2.357 178.480 176.117 0.008 0.000 1.100 387 I CA 0.743 62.064 61.300 0.035 0.000 1.374 387 I CB -0.111 37.923 38.000 0.056 0.000 1.057 387 I HN -0.028 nan 8.210 nan 0.000 0.413 388 L N -0.597 120.595 121.223 -0.052 0.000 2.156 388 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 388 L C 2.539 179.377 176.870 -0.052 0.000 1.095 388 L CA 0.705 55.528 54.840 -0.028 0.000 0.770 388 L CB -0.369 41.679 42.059 -0.019 0.000 0.914 388 L HN 0.278 nan 8.230 nan 0.000 0.439 389 M N -0.906 118.601 119.600 -0.156 0.000 2.175 389 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 389 M C 2.342 178.621 176.300 -0.034 0.000 1.063 389 M CA 1.627 56.845 55.300 -0.136 0.000 1.119 389 M CB -1.382 31.061 32.600 -0.261 0.000 1.377 389 M HN 0.166 nan 8.290 nan 0.000 0.415 390 T N 0.969 115.525 114.554 0.002 0.000 2.708 390 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 390 T C 1.941 176.721 174.700 0.133 0.000 1.037 390 T CA 1.184 63.324 62.100 0.065 0.000 1.146 390 T CB -0.045 68.898 68.868 0.125 0.000 0.865 390 T HN 0.204 nan 8.240 nan 0.000 0.435 391 M N 1.025 120.720 119.600 0.159 0.000 2.159 391 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 391 M C 2.239 178.630 176.300 0.151 0.000 1.063 391 M CA 1.495 56.920 55.300 0.208 0.000 1.110 391 M CB -0.923 31.754 32.600 0.129 0.000 1.374 391 M HN 0.231 nan 8.290 nan 0.000 0.411 392 K N 0.034 120.483 120.400 0.082 0.000 2.031 392 K HA -0.130 4.189 4.320 -0.000 0.000 0.205 392 K C 1.577 178.206 176.600 0.049 0.000 1.049 392 K CA 1.262 57.586 56.287 0.062 0.000 0.939 392 K CB 0.123 32.643 32.500 0.034 0.000 0.717 392 K HN 0.249 nan 8.250 nan 0.000 0.438 393 N N 0.554 119.267 118.700 0.023 0.000 2.368 393 N HA -0.080 4.660 4.740 -0.000 0.000 0.176 393 N C 1.445 176.933 175.510 -0.037 0.000 1.021 393 N CA 0.873 53.922 53.050 -0.001 0.000 0.888 393 N CB 0.244 38.726 38.487 -0.009 0.000 0.995 393 N HN 0.257 nan 8.380 nan 0.000 0.437 394 K N -0.689 119.659 120.400 -0.087 0.000 2.287 394 K HA 0.078 4.398 4.320 -0.000 0.000 0.199 394 K C 0.245 176.655 176.600 -0.317 0.000 1.061 394 K CA 0.436 56.559 56.287 -0.273 0.000 0.976 394 K CB 0.249 32.457 32.500 -0.485 0.000 0.898 394 K HN -0.015 nan 8.250 nan 0.000 0.492 395 Y N -0.236 120.096 120.300 0.054 0.000 2.636 395 Y HA 0.313 4.863 4.550 -0.000 0.000 0.260 395 Y C 0.798 176.745 175.900 0.078 0.000 1.177 395 Y CA -0.035 58.102 58.100 0.062 0.000 1.209 395 Y CB 1.375 39.864 38.460 0.048 0.000 1.166 395 Y HN 0.333 nan 8.280 nan 0.000 0.531 396 G N 0.801 109.706 108.800 0.175 0.000 2.157 396 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.239 396 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.239 396 G C 0.350 175.333 174.900 0.138 0.000 0.982 396 G CA 0.029 45.217 45.100 0.147 0.000 0.650 396 G HN 0.408 nan 8.290 nan 0.000 0.527 397 N N -0.359 118.423 118.700 0.138 0.000 2.708 397 N HA -0.116 4.624 4.740 -0.000 0.000 0.255 397 N C -1.281 174.305 175.510 0.126 0.000 1.046 397 N CA 1.237 54.355 53.050 0.113 0.000 0.715 397 N CB -0.439 38.098 38.487 0.084 0.000 0.895 397 N HN 0.640 nan 8.380 nan 0.000 0.545 398 P HA 0.274 nan 4.420 nan 0.000 0.274 398 P C -2.638 174.748 177.300 0.143 0.000 1.246 398 P CA -1.042 62.180 63.100 0.204 0.000 0.795 398 P CB 0.088 31.966 31.700 0.297 0.000 1.006 399 P HA 0.189 nan 4.420 nan 0.000 0.264 399 P C -0.291 177.049 177.300 0.068 0.000 1.193 399 P CA 0.930 64.078 63.100 0.081 0.000 0.763 399 P CB 0.204 31.985 31.700 0.135 0.000 0.810 400 M N 2.967 122.515 119.600 -0.087 0.000 2.518 400 M HA 0.458 4.938 4.480 -0.000 0.000 0.300 400 M C -1.115 174.987 176.300 -0.330 0.000 1.175 400 M CA -0.589 54.679 55.300 -0.054 0.000 0.890 400 M CB 2.130 34.735 32.600 0.007 0.000 1.710 400 M HN 0.236 nan 8.290 nan 0.000 0.453 401 Y N 1.703 122.046 120.300 0.071 0.000 2.462 401 Y HA 0.466 5.015 4.550 -0.000 0.000 0.346 401 Y C -0.228 175.724 175.900 0.087 0.000 0.976 401 Y CA -1.039 57.096 58.100 0.059 0.000 1.044 401 Y CB 1.493 40.013 38.460 0.100 0.000 1.230 401 Y HN 0.408 nan 8.280 nan 0.000 0.455 402 I N 3.291 123.997 120.570 0.226 0.000 2.293 402 I HA 0.028 4.198 4.170 -0.000 0.000 0.299 402 I C 1.184 177.406 176.117 0.175 0.000 1.153 402 I CA 0.089 61.496 61.300 0.179 0.000 1.302 402 I CB -0.352 37.781 38.000 0.220 0.000 1.460 402 I HN 0.788 nan 8.210 nan 0.000 0.552 403 T N 2.134 116.757 114.554 0.114 0.000 3.088 403 T HA 0.154 4.504 4.350 -0.000 0.000 0.259 403 T C 0.579 175.269 174.700 -0.017 0.000 1.122 403 T CA 0.338 62.429 62.100 -0.013 0.000 1.095 403 T CB 0.198 68.992 68.868 -0.123 0.000 0.930 403 T HN 0.561 nan 8.240 nan 0.000 0.508 404 E N 0.749 120.936 120.200 -0.021 0.000 2.352 404 E HA 0.461 4.811 4.350 -0.000 0.000 0.280 404 E C -1.384 175.079 176.600 -0.229 0.000 0.930 404 E CA -0.788 55.597 56.400 -0.026 0.000 0.765 404 E CB 1.895 31.593 29.700 -0.003 0.000 1.219 404 E HN 0.203 nan 8.360 nan 0.000 0.434 405 N N 1.606 120.191 118.700 -0.191 0.000 2.493 405 N HA 0.527 5.266 4.740 -0.000 0.000 0.279 405 N C -1.253 174.322 175.510 0.109 0.000 1.082 405 N CA -0.182 52.751 53.050 -0.194 0.000 0.963 405 N CB 2.042 40.534 38.487 0.008 0.000 1.627 405 N HN 0.683 nan 8.380 nan 0.000 0.499 406 G N 1.268 110.165 108.800 0.161 0.000 2.321 406 G HA2 0.536 4.496 3.960 -0.000 0.000 0.296 406 G HA3 0.536 4.496 3.960 -0.000 0.000 0.296 406 G C -1.749 173.102 174.900 -0.082 0.000 1.287 406 G CA -0.566 44.648 45.100 0.190 0.000 0.846 406 G HN 0.678 nan 8.290 nan 0.000 0.508 407 M N -1.394 118.050 119.600 -0.260 0.000 2.773 407 M HA 0.779 5.258 4.480 -0.000 0.000 0.270 407 M C -0.287 175.326 176.300 -1.146 0.000 1.238 407 M CA -0.555 54.356 55.300 -0.649 0.000 0.832 407 M CB 1.504 33.579 32.600 -0.876 0.000 1.672 407 M HN 1.396 nan 8.290 nan 0.000 0.480 408 G N -0.149 107.809 108.800 -1.404 0.000 2.420 408 G HA2 0.688 4.648 3.960 -0.000 0.000 0.331 408 G HA3 0.688 4.648 3.960 -0.000 0.000 0.331 408 G C -1.760 172.818 174.900 -0.538 0.000 1.168 408 G CA -0.466 43.836 45.100 -1.330 0.000 0.936 408 G HN 0.675 nan 8.290 nan 0.000 0.479 409 D N 1.096 121.302 120.400 -0.322 0.000 2.198 409 D HA 0.267 4.907 4.640 -0.000 0.000 0.245 409 D C 0.490 176.741 176.300 -0.081 0.000 1.079 409 D CA -0.258 53.652 54.000 -0.150 0.000 0.854 409 D CB 2.081 42.835 40.800 -0.077 0.000 1.148 409 D HN 0.029 nan 8.370 nan 0.000 0.456 410 I N 1.908 122.450 120.570 -0.046 0.000 2.496 410 I HA 0.068 4.238 4.170 -0.000 0.000 0.285 410 I C 0.380 176.513 176.117 0.026 0.000 1.080 410 I CA 0.353 61.652 61.300 -0.002 0.000 1.404 410 I CB 0.602 38.605 38.000 0.006 0.000 1.403 410 I HN 0.284 nan 8.210 nan 0.000 0.539 411 D N 6.570 127.000 120.400 0.049 0.000 2.336 411 D HA 0.215 4.855 4.640 -0.000 0.000 0.248 411 D C -0.140 176.203 176.300 0.071 0.000 1.326 411 D CA -0.373 53.666 54.000 0.065 0.000 0.973 411 D CB 0.836 41.686 40.800 0.084 0.000 1.255 411 D HN 0.424 nan 8.370 nan 0.000 0.558 412 K N 1.487 121.923 120.400 0.060 0.000 2.576 412 K HA 0.404 4.723 4.320 -0.000 0.000 0.209 412 K C 0.855 177.488 176.600 0.055 0.000 1.049 412 K CA -0.034 56.290 56.287 0.061 0.000 1.140 412 K CB 1.138 33.669 32.500 0.052 0.000 0.871 412 K HN 0.553 nan 8.250 nan 0.000 0.479 413 G N 1.313 110.147 108.800 0.057 0.000 2.184 413 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.206 413 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.206 413 G C 0.169 175.095 174.900 0.043 0.000 0.995 413 G CA -0.127 45.003 45.100 0.050 0.000 0.651 413 G HN 0.317 nan 8.290 nan 0.000 0.511 414 D N -0.140 120.285 120.400 0.043 0.000 2.469 414 D HA 0.232 4.871 4.640 -0.000 0.000 0.213 414 D C 0.845 177.166 176.300 0.034 0.000 1.135 414 D CA -0.189 53.831 54.000 0.034 0.000 0.834 414 D CB 0.529 41.346 40.800 0.028 0.000 1.009 414 D HN 0.378 nan 8.370 nan 0.000 0.507 415 L N 2.877 124.128 121.223 0.047 0.000 2.268 415 L HA 0.305 4.645 4.340 -0.000 0.000 0.289 415 L C -2.257 174.639 176.870 0.043 0.000 1.064 415 L CA -1.369 53.499 54.840 0.047 0.000 0.824 415 L CB 1.039 43.140 42.059 0.071 0.000 1.202 415 L HN -0.318 nan 8.230 nan 0.000 0.433 416 P HA 0.083 nan 4.420 nan 0.000 0.268 416 P C 0.287 177.548 177.300 -0.064 0.000 1.205 416 P CA -0.179 62.913 63.100 -0.014 0.000 0.771 416 P CB 0.709 32.396 31.700 -0.022 0.000 0.858 417 K N 3.399 123.727 120.400 -0.119 0.000 2.063 417 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 417 K C -0.831 175.579 176.600 -0.316 0.000 1.048 417 K CA 1.859 57.936 56.287 -0.351 0.000 0.928 417 K CB -1.551 30.716 32.500 -0.387 0.000 0.713 417 K HN 0.475 nan 8.250 nan 0.000 0.442 418 P HA -0.121 nan 4.420 nan 0.000 0.219 418 P C 1.341 178.578 177.300 -0.105 0.000 1.146 418 P CA 0.957 63.978 63.100 -0.132 0.000 0.808 418 P CB 0.095 31.747 31.700 -0.079 0.000 0.779 419 V N -0.042 119.822 119.914 -0.084 0.000 2.407 419 V HA -0.110 4.010 4.120 -0.000 0.000 0.245 419 V C 2.483 178.543 176.094 -0.057 0.000 1.041 419 V CA 1.833 64.104 62.300 -0.047 0.000 1.040 419 V CB -1.679 30.133 31.823 -0.020 0.000 0.671 419 V HN 0.073 nan 8.190 nan 0.000 0.455 420 A N 0.082 122.853 122.820 -0.081 0.000 1.978 420 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 420 A C 2.178 179.714 177.584 -0.079 0.000 1.170 420 A CA 1.668 53.679 52.037 -0.044 0.000 0.636 420 A CB -0.518 18.504 19.000 0.037 0.000 0.810 420 A HN 0.520 nan 8.150 nan 0.000 0.448 421 L N -0.422 120.699 121.223 -0.170 0.000 2.217 421 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 421 L C 1.724 178.521 176.870 -0.121 0.000 1.107 421 L CA 1.088 55.844 54.840 -0.140 0.000 0.783 421 L CB -0.391 41.566 42.059 -0.170 0.000 0.919 421 L HN 0.658 nan 8.230 nan 0.000 0.442 422 E N 2.031 122.159 120.200 -0.119 0.000 2.110 422 E HA -0.032 4.318 4.350 -0.000 0.000 0.300 422 E C -0.563 175.918 176.600 -0.197 0.000 1.278 422 E CA -0.470 55.827 56.400 -0.170 0.000 1.365 422 E CB -0.189 29.482 29.700 -0.048 0.000 1.283 422 E HN 0.279 nan 8.360 nan 0.000 0.490 423 D N 1.677 121.950 120.400 -0.211 0.000 2.713 423 D HA 0.006 4.646 4.640 -0.000 0.000 0.229 423 D C 0.201 176.417 176.300 -0.140 0.000 1.136 423 D CA -0.466 53.459 54.000 -0.124 0.000 1.010 423 D CB -0.069 40.688 40.800 -0.072 0.000 1.084 423 D HN 0.466 nan 8.370 nan 0.000 0.495 424 H N 0.006 119.056 119.070 -0.034 0.000 2.387 424 H HA -0.106 4.449 4.556 -0.000 0.000 0.299 424 H C 1.612 176.914 175.328 -0.043 0.000 1.090 424 H CA 2.111 58.132 56.048 -0.046 0.000 1.332 424 H CB 0.336 30.073 29.762 -0.042 0.000 1.386 424 H HN 0.231 nan 8.280 nan 0.000 0.516 425 T N 0.008 114.607 114.554 0.076 0.000 2.746 425 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 425 T C 1.961 176.689 174.700 0.047 0.000 1.039 425 T CA 1.442 63.571 62.100 0.048 0.000 1.142 425 T CB -0.121 68.757 68.868 0.017 0.000 0.866 425 T HN 0.353 nan 8.240 nan 0.000 0.444 426 R N 0.360 120.858 120.500 -0.004 0.000 2.081 426 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 426 R C 2.372 178.695 176.300 0.038 0.000 1.131 426 R CA 1.077 57.175 56.100 -0.003 0.000 0.960 426 R CB -0.470 29.801 30.300 -0.048 0.000 0.856 426 R HN 0.256 nan 8.270 nan 0.000 0.436 427 L N 1.493 122.695 121.223 -0.035 0.000 2.046 427 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 427 L C 1.722 178.485 176.870 -0.177 0.000 1.077 427 L CA 2.319 57.075 54.840 -0.140 0.000 0.747 427 L CB -0.831 41.112 42.059 -0.193 0.000 0.896 427 L HN 0.250 nan 8.230 nan 0.000 0.432 428 D N -1.958 118.396 120.400 -0.076 0.000 2.084 428 D HA -0.320 4.320 4.640 -0.000 0.000 0.194 428 D C 2.189 178.499 176.300 0.018 0.000 0.990 428 D CA 1.648 55.607 54.000 -0.067 0.000 0.826 428 D CB -0.387 40.407 40.800 -0.010 0.000 0.971 428 D HN 0.449 nan 8.370 nan 0.000 0.453 429 Y N 0.848 121.151 120.300 0.004 0.000 2.069 429 Y HA -0.258 4.292 4.550 -0.000 0.000 0.278 429 Y C 2.175 178.192 175.900 0.196 0.000 1.175 429 Y CA 2.013 60.193 58.100 0.133 0.000 1.134 429 Y CB -0.463 38.057 38.460 0.101 0.000 0.965 429 Y HN 0.088 nan 8.280 nan 0.000 0.498 430 I N -0.079 120.671 120.570 0.301 0.000 2.179 430 I HA -0.379 3.791 4.170 -0.000 0.000 0.242 430 I C 2.446 178.525 176.117 -0.063 0.000 1.088 430 I CA 1.837 63.240 61.300 0.171 0.000 1.357 430 I CB -0.564 37.510 38.000 0.123 0.000 1.051 430 I HN 0.349 nan 8.210 nan 0.000 0.409 431 Q N 0.254 119.901 119.800 -0.254 0.000 2.124 431 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 431 Q C 2.375 178.283 176.000 -0.153 0.000 0.977 431 Q CA 1.395 56.989 55.803 -0.348 0.000 0.850 431 Q CB -0.119 28.307 28.738 -0.520 0.000 0.901 431 Q HN 0.450 nan 8.270 nan 0.000 0.429 432 R N -0.639 119.787 120.500 -0.122 0.000 2.092 432 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 432 R C 1.823 178.017 176.300 -0.177 0.000 1.119 432 R CA 1.231 57.242 56.100 -0.148 0.000 0.970 432 R CB -0.147 30.032 30.300 -0.202 0.000 0.864 432 R HN 0.404 nan 8.270 nan 0.000 0.440 433 H N 0.284 119.272 119.070 -0.135 0.000 2.428 433 H HA 0.021 4.577 4.556 -0.000 0.000 0.296 433 H C 1.948 177.279 175.328 0.006 0.000 1.062 433 H CA 1.000 57.011 56.048 -0.061 0.000 1.350 433 H CB 0.025 29.776 29.762 -0.018 0.000 1.403 433 H HN 0.046 nan 8.280 nan 0.000 0.533 434 L N -0.780 120.477 121.223 0.057 0.000 2.141 434 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 434 L C 2.543 179.605 176.870 0.321 0.000 1.094 434 L CA 1.148 56.063 54.840 0.126 0.000 0.763 434 L CB -0.357 41.715 42.059 0.022 0.000 0.908 434 L HN 0.253 nan 8.230 nan 0.000 0.437 435 S N -0.337 115.486 115.700 0.205 0.000 2.368 435 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 435 S C 1.963 176.642 174.600 0.131 0.000 1.030 435 S CA 1.218 59.571 58.200 0.255 0.000 0.999 435 S CB -0.084 63.214 63.200 0.164 0.000 0.844 435 S HN 0.178 nan 8.310 nan 0.000 0.459 436 V N 2.038 121.978 119.914 0.043 0.000 2.515 436 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 436 V C 2.353 178.501 176.094 0.090 0.000 1.058 436 V CA 1.528 63.830 62.300 0.003 0.000 1.064 436 V CB -0.559 31.211 31.823 -0.087 0.000 0.675 436 V HN 0.507 nan 8.190 nan 0.000 0.461 437 L N 0.132 121.458 121.223 0.173 0.000 2.093 437 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 437 L C 2.626 179.639 176.870 0.239 0.000 1.085 437 L CA 1.987 56.977 54.840 0.251 0.000 0.755 437 L CB -0.322 41.953 42.059 0.360 0.000 0.904 437 L HN 0.353 nan 8.230 nan 0.000 0.435 438 K N 0.312 120.829 120.400 0.194 0.000 2.063 438 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 438 K C 1.981 178.541 176.600 -0.067 0.000 1.048 438 K CA 1.725 57.967 56.287 -0.076 0.000 0.928 438 K CB -0.232 32.165 32.500 -0.170 0.000 0.713 438 K HN 0.379 nan 8.250 nan 0.000 0.442 439 Q N -0.242 119.542 119.800 -0.027 0.000 2.096 439 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 439 Q C 2.203 178.230 176.000 0.045 0.000 0.982 439 Q CA 1.877 57.660 55.803 -0.034 0.000 0.850 439 Q CB -0.094 28.611 28.738 -0.055 0.000 0.901 439 Q HN 0.306 nan 8.270 nan 0.000 0.422 440 S N 0.746 116.513 115.700 0.113 0.000 2.368 440 S HA -0.091 4.378 4.470 -0.000 0.000 0.224 440 S C 1.942 176.599 174.600 0.094 0.000 1.029 440 S CA 0.884 59.169 58.200 0.142 0.000 0.988 440 S CB -0.139 63.144 63.200 0.138 0.000 0.838 440 S HN 0.275 nan 8.310 nan 0.000 0.462 441 I N 1.666 122.291 120.570 0.092 0.000 2.315 441 I HA -0.167 4.002 4.170 -0.000 0.000 0.248 441 I C 1.826 177.964 176.117 0.035 0.000 1.117 441 I CA 1.016 62.368 61.300 0.086 0.000 1.404 441 I CB -0.336 37.735 38.000 0.118 0.000 1.071 441 I HN 0.138 nan 8.210 nan 0.000 0.419 442 D N 0.784 121.180 120.400 -0.008 0.000 2.178 442 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 442 D C 2.012 178.311 176.300 -0.002 0.000 0.980 442 D CA 1.204 55.185 54.000 -0.031 0.000 0.842 442 D CB -0.113 40.639 40.800 -0.080 0.000 0.948 442 D HN 0.311 nan 8.370 nan 0.000 0.472 443 L N -0.846 120.392 121.223 0.025 0.000 2.599 443 L HA 0.188 4.528 4.340 -0.000 0.000 0.230 443 L C 1.456 178.348 176.870 0.038 0.000 1.141 443 L CA 0.376 55.239 54.840 0.039 0.000 0.877 443 L CB 0.134 42.239 42.059 0.076 0.000 1.009 443 L HN 0.142 nan 8.230 nan 0.000 0.447 444 G N -0.588 108.235 108.800 0.039 0.000 2.179 444 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 444 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 444 G C 0.363 175.294 174.900 0.051 0.000 0.990 444 G CA -0.181 44.944 45.100 0.042 0.000 0.646 444 G HN 0.433 nan 8.290 nan 0.000 0.517 445 A N 0.313 123.167 122.820 0.057 0.000 2.477 445 A HA 0.512 4.831 4.320 -0.000 0.000 0.246 445 A C 0.498 178.127 177.584 0.075 0.000 1.078 445 A CA 0.662 52.736 52.037 0.061 0.000 0.770 445 A CB 0.387 19.423 19.000 0.060 0.000 1.011 445 A HN 0.324 nan 8.150 nan 0.000 0.494 446 D N 2.689 123.128 120.400 0.064 0.000 2.845 446 D HA 0.286 4.926 4.640 -0.000 0.000 0.235 446 D C -0.395 175.913 176.300 0.014 0.000 1.158 446 D CA 0.147 54.179 54.000 0.053 0.000 0.990 446 D CB -0.410 40.420 40.800 0.050 0.000 1.094 446 D HN 0.127 nan 8.370 nan 0.000 0.486 447 V N 2.493 122.442 119.914 0.058 0.000 2.465 447 V HA 0.360 4.479 4.120 -0.000 0.000 0.279 447 V C 1.455 177.533 176.094 -0.027 0.000 1.045 447 V CA -0.404 61.903 62.300 0.011 0.000 0.938 447 V CB 1.754 33.677 31.823 0.167 0.000 0.986 447 V HN 0.273 nan 8.190 nan 0.000 0.467 448 R N 2.432 122.625 120.500 -0.512 0.000 2.509 448 R HA 0.448 4.788 4.340 -0.000 0.000 0.297 448 R C 0.519 176.042 176.300 -1.295 0.000 0.951 448 R CA 0.278 55.951 56.100 -0.712 0.000 1.103 448 R CB 1.502 31.400 30.300 -0.669 0.000 1.283 448 R HN 0.857 nan 8.270 nan 0.000 0.534 449 G N 0.150 108.148 108.800 -1.337 0.000 2.523 449 G HA2 0.303 4.263 3.960 -0.000 0.000 0.291 449 G HA3 0.303 4.263 3.960 -0.000 0.000 0.291 449 G C -2.403 172.206 174.900 -0.485 0.000 1.450 449 G CA -0.535 43.816 45.100 -1.248 0.000 0.790 449 G HN 0.054 nan 8.290 nan 0.000 0.496 450 Y N 0.122 120.048 120.300 -0.623 0.000 2.396 450 Y HA 0.743 5.292 4.550 -0.000 0.000 0.332 450 Y C -1.836 173.878 175.900 -0.310 0.000 1.034 450 Y CA -1.446 56.528 58.100 -0.210 0.000 1.057 450 Y CB 1.654 40.070 38.460 -0.073 0.000 1.220 450 Y HN 0.432 nan 8.280 nan 0.000 0.440 451 F N 5.006 124.678 119.950 -0.463 0.000 2.449 451 F HA 0.722 5.249 4.527 -0.000 0.000 0.342 451 F C 0.307 175.847 175.800 -0.434 0.000 1.127 451 F CA -0.843 56.980 58.000 -0.295 0.000 0.975 451 F CB 1.689 40.592 39.000 -0.162 0.000 1.146 451 F HN 0.696 nan 8.300 nan 0.000 0.444 452 A N 4.328 127.138 122.820 -0.017 0.000 2.450 452 A HA 0.128 4.447 4.320 -0.000 0.000 0.255 452 A C -0.788 176.901 177.584 0.174 0.000 1.096 452 A CA -0.403 51.681 52.037 0.078 0.000 0.778 452 A CB 0.249 19.386 19.000 0.229 0.000 1.031 452 A HN 0.879 nan 8.150 nan 0.000 0.494 453 W N 3.857 125.199 121.300 0.071 0.000 2.332 453 W HA 0.498 5.158 4.660 -0.000 0.000 0.306 453 W C -0.386 176.265 176.519 0.220 0.000 1.149 453 W CA -0.092 57.335 57.345 0.138 0.000 1.271 453 W CB 1.394 30.965 29.460 0.185 0.000 1.243 453 W HN 0.689 nan 8.180 nan 0.000 0.459 454 S N 4.966 120.504 115.700 -0.270 0.000 2.634 454 S HA 0.307 4.777 4.470 -0.000 0.000 0.296 454 S C 0.752 175.183 174.600 -0.282 0.000 1.104 454 S CA -0.832 56.931 58.200 -0.729 0.000 0.920 454 S CB 1.660 64.058 63.200 -1.336 0.000 1.111 454 S HN 0.619 nan 8.310 nan 0.000 0.493 455 L N 1.448 122.539 121.223 -0.219 0.000 2.042 455 L HA 0.141 4.480 4.340 -0.000 0.000 0.210 455 L C -0.377 176.425 176.870 -0.113 0.000 1.076 455 L CA 1.528 56.313 54.840 -0.091 0.000 0.749 455 L CB -0.157 41.882 42.059 -0.033 0.000 0.893 455 L HN 0.559 nan 8.230 nan 0.000 0.432 456 L N -0.060 121.057 121.223 -0.178 0.000 2.381 456 L HA 0.327 4.667 4.340 -0.000 0.000 0.268 456 L C -0.763 176.030 176.870 -0.128 0.000 0.997 456 L CA -1.162 53.602 54.840 -0.128 0.000 0.818 456 L CB 1.733 43.726 42.059 -0.110 0.000 1.310 456 L HN -0.115 nan 8.230 nan 0.000 0.416 457 D N 3.161 123.516 120.400 -0.074 0.000 2.525 457 D HA 0.097 4.736 4.640 -0.000 0.000 0.235 457 D C -0.365 175.927 176.300 -0.014 0.000 1.137 457 D CA 0.689 54.668 54.000 -0.035 0.000 0.868 457 D CB 0.383 41.127 40.800 -0.093 0.000 1.180 457 D HN 0.668 nan 8.370 nan 0.000 0.465 458 N N 0.248 118.969 118.700 0.035 0.000 3.344 458 N HA 0.204 4.944 4.740 -0.000 0.000 0.296 458 N C -1.142 174.370 175.510 0.003 0.000 1.571 458 N CA -0.805 52.269 53.050 0.040 0.000 0.844 458 N CB 0.627 39.055 38.487 -0.098 0.000 1.718 458 N HN 0.190 nan 8.380 nan 0.000 0.589 459 F N 1.570 121.331 119.950 -0.314 0.000 2.462 459 F HA 0.178 4.705 4.527 -0.000 0.000 0.360 459 F C 0.658 176.080 175.800 -0.630 0.000 1.134 459 F CA -0.299 57.282 58.000 -0.698 0.000 1.148 459 F CB 0.425 39.039 39.000 -0.643 0.000 1.147 459 F HN 0.584 nan 8.300 nan 0.000 0.550 460 E N 7.391 127.080 120.200 -0.852 0.000 2.261 460 E HA 0.174 4.524 4.350 -0.000 0.000 0.308 460 E C -0.124 176.106 176.600 -0.617 0.000 1.400 460 E CA -0.095 55.938 56.400 -0.612 0.000 1.542 460 E CB -0.520 29.083 29.700 -0.162 0.000 1.369 460 E HN 0.735 nan 8.360 nan 0.000 0.493 461 W N 0.557 121.376 121.300 -0.802 0.000 2.047 461 W HA -0.459 4.201 4.660 -0.000 0.000 0.283 461 W C 1.825 178.157 176.519 -0.311 0.000 1.201 461 W CA 1.068 58.095 57.345 -0.531 0.000 1.140 461 W CB -1.616 27.753 29.460 -0.152 0.000 0.885 461 W HN 0.244 nan 8.180 nan 0.000 0.538 462 S N 0.004 115.956 115.700 0.420 0.000 2.561 462 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 462 S C 1.174 175.883 174.600 0.180 0.000 0.977 462 S CA 1.071 59.508 58.200 0.395 0.000 0.926 462 S CB -0.291 63.190 63.200 0.467 0.000 0.769 462 S HN 0.357 nan 8.310 nan 0.000 0.533 463 S N 0.963 116.700 115.700 0.061 0.000 2.603 463 S HA 0.323 4.792 4.470 -0.000 0.000 0.220 463 S C 1.614 176.146 174.600 -0.114 0.000 0.967 463 S CA 0.235 58.448 58.200 0.022 0.000 0.920 463 S CB -0.345 62.909 63.200 0.090 0.000 0.773 463 S HN 0.720 nan 8.310 nan 0.000 0.529 464 G N 1.701 110.259 108.800 -0.404 0.000 2.614 464 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.303 464 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.303 464 G C 0.264 174.812 174.900 -0.587 0.000 1.270 464 G CA 0.786 45.526 45.100 -0.601 0.000 0.988 464 G HN 0.504 nan 8.290 nan 0.000 0.551 465 Y N 1.847 122.164 120.300 0.028 0.000 2.490 465 Y HA 0.221 4.770 4.550 -0.000 0.000 0.281 465 Y C 2.984 178.904 175.900 0.034 0.000 1.174 465 Y CA 1.320 59.442 58.100 0.036 0.000 1.295 465 Y CB -0.052 38.447 38.460 0.064 0.000 1.062 465 Y HN 0.650 nan 8.280 nan 0.000 0.522 466 T N -2.469 112.151 114.554 0.110 0.000 3.072 466 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 466 T C 0.390 175.143 174.700 0.088 0.000 1.127 466 T CA 0.520 62.681 62.100 0.101 0.000 1.107 466 T CB -0.172 68.748 68.868 0.086 0.000 0.910 466 T HN 0.288 nan 8.240 nan 0.000 0.513 467 E N 1.007 121.270 120.200 0.104 0.000 2.185 467 E HA 0.408 4.758 4.350 -0.000 0.000 0.261 467 E C -0.836 175.868 176.600 0.174 0.000 0.879 467 E CA -0.635 55.838 56.400 0.122 0.000 0.756 467 E CB 1.593 31.441 29.700 0.247 0.000 1.152 467 E HN 0.265 nan 8.360 nan 0.000 0.416 468 R N 2.676 123.218 120.500 0.070 0.000 2.198 468 R HA 0.245 4.585 4.340 -0.000 0.000 0.339 468 R C -0.164 176.160 176.300 0.039 0.000 1.020 468 R CA -0.180 55.973 56.100 0.087 0.000 0.864 468 R CB 0.460 30.788 30.300 0.047 0.000 1.105 468 R HN 0.538 nan 8.270 nan 0.000 0.463 469 F N 0.442 120.400 119.950 0.013 0.000 2.695 469 F HA 0.215 4.742 4.527 -0.000 0.000 0.303 469 F C 1.658 177.432 175.800 -0.044 0.000 1.091 469 F CA -0.253 57.766 58.000 0.032 0.000 1.300 469 F CB 0.645 39.758 39.000 0.188 0.000 1.071 469 F HN 0.569 nan 8.300 nan 0.000 0.578 470 G N 0.897 109.745 108.800 0.079 0.000 2.527 470 G HA2 0.306 4.266 3.960 -0.000 0.000 0.248 470 G HA3 0.306 4.266 3.960 -0.000 0.000 0.248 470 G C 1.129 176.042 174.900 0.023 0.000 1.231 470 G CA -0.407 44.693 45.100 -0.001 0.000 0.838 470 G HN 0.408 nan 8.290 nan 0.000 0.570 471 I N -0.992 119.589 120.570 0.017 0.000 3.251 471 I HA 0.226 4.396 4.170 -0.000 0.000 0.277 471 I C -0.153 175.985 176.117 0.035 0.000 1.268 471 I CA 0.042 61.365 61.300 0.039 0.000 1.449 471 I CB -0.034 38.002 38.000 0.060 0.000 1.083 471 I HN 0.003 nan 8.210 nan 0.000 0.464 472 V N 1.371 121.298 119.914 0.022 0.000 2.448 472 V HA 0.267 4.387 4.120 -0.000 0.000 0.295 472 V C -0.767 175.366 176.094 0.065 0.000 1.025 472 V CA -0.720 61.601 62.300 0.035 0.000 0.859 472 V CB 1.456 33.276 31.823 -0.004 0.000 0.988 472 V HN 0.190 nan 8.190 nan 0.000 0.431 473 Y N 4.953 125.238 120.300 -0.024 0.000 2.442 473 Y HA 0.446 4.995 4.550 -0.000 0.000 0.330 473 Y C -0.084 175.804 175.900 -0.019 0.000 1.129 473 Y CA 0.177 58.266 58.100 -0.018 0.000 1.365 473 Y CB 1.135 39.583 38.460 -0.019 0.000 1.233 473 Y HN 0.389 nan 8.280 nan 0.000 0.529 474 V N 6.716 126.346 119.914 -0.474 0.000 2.378 474 V HA 0.147 4.267 4.120 -0.000 0.000 0.288 474 V C -0.721 175.075 176.094 -0.496 0.000 1.016 474 V CA -0.919 61.185 62.300 -0.328 0.000 0.840 474 V CB 1.438 33.139 31.823 -0.202 0.000 0.994 474 V HN 0.693 nan 8.190 nan 0.000 0.431 475 D N 4.136 124.398 120.400 -0.229 0.000 2.479 475 D HA 0.262 4.902 4.640 -0.000 0.000 0.218 475 D C 1.216 177.455 176.300 -0.102 0.000 1.131 475 D CA -0.290 53.640 54.000 -0.117 0.000 0.916 475 D CB 0.793 41.659 40.800 0.110 0.000 1.022 475 D HN 0.386 nan 8.370 nan 0.000 0.515 476 R N 1.530 121.937 120.500 -0.155 0.000 2.148 476 R HA -0.093 4.247 4.340 -0.000 0.000 0.227 476 R C 1.855 178.095 176.300 -0.100 0.000 1.103 476 R CA 1.030 57.037 56.100 -0.156 0.000 0.983 476 R CB 0.151 30.296 30.300 -0.258 0.000 0.874 476 R HN 0.535 nan 8.270 nan 0.000 0.451 477 E N 0.145 120.306 120.200 -0.065 0.000 2.427 477 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 477 E C -0.098 176.490 176.600 -0.021 0.000 1.028 477 E CA 0.694 57.073 56.400 -0.035 0.000 0.864 477 E CB 0.186 29.877 29.700 -0.015 0.000 0.813 477 E HN 0.150 nan 8.360 nan 0.000 0.514 478 N N 0.476 119.165 118.700 -0.017 0.000 2.696 478 N HA 0.167 4.906 4.740 -0.000 0.000 0.308 478 N C -0.170 175.330 175.510 -0.017 0.000 1.915 478 N CA 0.448 53.493 53.050 -0.009 0.000 0.906 478 N CB 1.134 39.628 38.487 0.011 0.000 1.284 478 N HN 0.313 nan 8.380 nan 0.000 0.488 479 G N 0.236 109.019 108.800 -0.029 0.000 2.198 479 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.260 479 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.260 479 G C 0.682 175.564 174.900 -0.031 0.000 1.025 479 G CA -0.022 45.060 45.100 -0.030 0.000 0.769 479 G HN 0.552 nan 8.290 nan 0.000 0.507 480 C N -0.509 118.763 119.300 -0.046 0.000 4.274 480 C HA -0.170 4.289 4.460 -0.000 0.000 0.297 480 C C 1.249 176.216 174.990 -0.038 0.000 1.446 480 C CA 1.081 60.065 59.018 -0.056 0.000 2.016 480 C CB -2.226 25.486 27.740 -0.046 0.000 1.273 480 C HN 1.233 nan 8.230 nan 0.000 0.782 481 E N 0.701 120.889 120.200 -0.019 0.000 2.442 481 E HA 0.261 4.611 4.350 -0.000 0.000 0.262 481 E C 0.303 176.911 176.600 0.014 0.000 1.004 481 E CA 0.181 56.580 56.400 -0.003 0.000 0.928 481 E CB 0.546 30.252 29.700 0.010 0.000 0.937 481 E HN 0.540 nan 8.360 nan 0.000 0.446 482 R N 2.288 122.792 120.500 0.008 0.000 2.407 482 R HA 0.406 4.746 4.340 -0.000 0.000 0.303 482 R C -0.935 175.394 176.300 0.049 0.000 0.981 482 R CA -0.291 55.822 56.100 0.022 0.000 0.905 482 R CB 2.200 32.491 30.300 -0.014 0.000 1.099 482 R HN 0.468 nan 8.270 nan 0.000 0.459 483 T N 3.153 117.766 114.554 0.097 0.000 2.879 483 T HA 0.320 4.670 4.350 -0.000 0.000 0.290 483 T C -0.071 174.666 174.700 0.062 0.000 0.993 483 T CA -0.764 61.377 62.100 0.068 0.000 0.975 483 T CB 1.152 70.059 68.868 0.064 0.000 0.981 483 T HN 0.343 nan 8.240 nan 0.000 0.439 484 M N 3.231 122.845 119.600 0.023 0.000 2.251 484 M HA 0.148 4.627 4.480 -0.000 0.000 0.343 484 M C 0.672 176.981 176.300 0.014 0.000 1.245 484 M CA 0.454 55.765 55.300 0.018 0.000 1.061 484 M CB 0.398 33.000 32.600 0.004 0.000 1.723 484 M HN 0.426 nan 8.290 nan 0.000 0.449 485 K N 1.535 121.948 120.400 0.021 0.000 2.179 485 K HA 0.251 4.571 4.320 -0.000 0.000 0.238 485 K C 0.965 177.555 176.600 -0.017 0.000 1.033 485 K CA -0.718 55.566 56.287 -0.006 0.000 0.926 485 K CB 0.666 33.171 32.500 0.009 0.000 1.151 485 K HN 0.544 nan 8.250 nan 0.000 0.492 486 R N 0.950 121.414 120.500 -0.060 0.000 2.103 486 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 486 R C 2.171 178.477 176.300 0.010 0.000 1.142 486 R CA 2.442 58.503 56.100 -0.065 0.000 0.960 486 R CB -0.312 29.862 30.300 -0.209 0.000 0.858 486 R HN 0.770 nan 8.270 nan 0.000 0.439 487 S N 0.093 115.794 115.700 0.002 0.000 2.370 487 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 487 S C 2.188 176.874 174.600 0.143 0.000 1.033 487 S CA 1.076 59.321 58.200 0.075 0.000 1.011 487 S CB -0.488 62.739 63.200 0.046 0.000 0.852 487 S HN 0.476 nan 8.310 nan 0.000 0.457 488 A N 2.663 125.533 122.820 0.084 0.000 1.902 488 A HA -0.057 4.262 4.320 -0.000 0.000 0.217 488 A C 2.388 180.009 177.584 0.062 0.000 1.181 488 A CA 1.262 53.341 52.037 0.070 0.000 0.623 488 A CB -0.550 18.472 19.000 0.036 0.000 0.818 488 A HN 0.414 nan 8.150 nan 0.000 0.443 489 R N -1.807 118.729 120.500 0.061 0.000 2.096 489 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 489 R C 1.909 178.251 176.300 0.071 0.000 1.127 489 R CA 1.389 57.516 56.100 0.046 0.000 0.968 489 R CB -0.865 29.458 30.300 0.038 0.000 0.861 489 R HN 0.836 nan 8.270 nan 0.000 0.440 490 W N 1.458 122.736 121.300 -0.038 0.000 2.379 490 W HA -0.099 4.561 4.660 -0.000 0.000 0.307 490 W C 1.835 178.337 176.519 -0.028 0.000 1.200 490 W CA 1.096 58.418 57.345 -0.038 0.000 1.297 490 W CB -0.407 29.017 29.460 -0.061 0.000 1.140 490 W HN -0.054 nan 8.180 nan 0.000 0.507 491 L N 0.486 121.723 121.223 0.024 0.000 2.079 491 L HA -0.291 4.049 4.340 -0.000 0.000 0.210 491 L C 2.760 179.533 176.870 -0.161 0.000 1.081 491 L CA 2.011 56.756 54.840 -0.159 0.000 0.752 491 L CB -1.054 41.022 42.059 0.029 0.000 0.896 491 L HN 0.176 nan 8.230 nan 0.000 0.433 492 Q N 0.374 120.115 119.800 -0.099 0.000 2.061 492 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 492 Q C 2.011 177.921 176.000 -0.151 0.000 0.984 492 Q CA 2.040 57.787 55.803 -0.093 0.000 0.846 492 Q CB 0.026 28.731 28.738 -0.055 0.000 0.902 492 Q HN 0.542 nan 8.270 nan 0.000 0.421 493 E N -0.102 119.975 120.200 -0.204 0.000 2.051 493 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 493 E C 1.743 178.143 176.600 -0.334 0.000 0.991 493 E CA 1.275 57.531 56.400 -0.241 0.000 0.799 493 E CB -0.352 29.205 29.700 -0.238 0.000 0.748 493 E HN 0.386 nan 8.360 nan 0.000 0.449 494 F N 2.393 121.898 119.950 -0.742 0.000 2.091 494 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 494 F C 1.766 177.241 175.800 -0.542 0.000 1.103 494 F CA 1.495 58.993 58.000 -0.836 0.000 1.228 494 F CB -0.047 38.122 39.000 -1.385 0.000 0.984 494 F HN -0.069 nan 8.300 nan 0.000 0.477 495 N N 0.688 119.212 118.700 -0.292 0.000 2.512 495 N HA 0.112 4.852 4.740 -0.000 0.000 0.183 495 N C 1.007 176.381 175.510 -0.227 0.000 1.073 495 N CA 1.067 53.959 53.050 -0.263 0.000 0.911 495 N CB -0.421 38.009 38.487 -0.094 0.000 0.964 495 N HN 0.532 nan 8.380 nan 0.000 0.447 496 G N 0.000 108.665 108.800 -0.225 0.000 5.446 496 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 496 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 496 G CA 0.000 45.002 45.100 -0.164 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925