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_C 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 0.000 176.213 176.300 -0.145 0.000 0.893 13 R CA 0.000 56.030 56.100 -0.117 0.000 0.921 13 R CB 0.000 30.247 30.300 -0.089 0.000 0.687 14 L N 1.784 122.902 121.223 -0.175 0.000 2.483 14 L HA 0.231 4.571 4.340 0.000 0.000 0.275 14 L C 0.123 176.814 176.870 -0.299 0.000 1.220 14 L CA 0.176 54.883 54.840 -0.222 0.000 0.833 14 L CB 0.906 42.836 42.059 -0.216 0.000 1.102 14 L HN 0.213 nan 8.230 nan 0.000 0.490 15 S N 2.459 117.873 115.700 -0.476 0.000 2.593 15 S HA 0.091 4.561 4.470 0.000 0.000 0.269 15 S C -1.532 172.672 174.600 -0.659 0.000 1.334 15 S CA -0.977 56.780 58.200 -0.738 0.000 1.015 15 S CB 1.129 63.415 63.200 -1.523 0.000 0.912 15 S HN 0.466 nan 8.310 nan 0.000 0.541 16 P HA -0.099 nan 4.420 nan 0.000 0.216 16 P C 1.011 178.321 177.300 0.016 0.000 1.150 16 P CA 1.155 64.208 63.100 -0.078 0.000 0.843 16 P CB -0.028 31.743 31.700 0.119 0.000 0.787 17 W N 0.051 121.401 121.300 0.084 0.000 2.937 17 W HA 0.148 4.808 4.660 0.000 0.000 0.245 17 W C 0.956 177.598 176.519 0.206 0.000 1.306 17 W CA 0.207 57.630 57.345 0.129 0.000 1.470 17 W CB -1.167 28.351 29.460 0.097 0.000 1.132 17 W HN -0.002 nan 8.180 nan 0.000 0.675 18 E N 0.994 121.039 120.200 -0.258 0.000 2.474 18 E HA 0.055 4.405 4.350 0.000 0.000 0.195 18 E C 0.639 177.287 176.600 0.080 0.000 1.039 18 E CA -0.211 56.179 56.400 -0.017 0.000 0.881 18 E CB 0.236 29.793 29.700 -0.237 0.000 0.970 18 E HN 0.164 nan 8.360 nan 0.000 0.486 19 I N 3.525 124.072 120.570 -0.039 0.000 2.533 19 I HA 0.104 4.274 4.170 0.000 0.000 0.284 19 I C -2.167 173.760 176.117 -0.317 0.000 1.109 19 I CA -2.264 58.969 61.300 -0.112 0.000 1.412 19 I CB -0.228 37.745 38.000 -0.046 0.000 1.396 19 I HN -0.277 nan 8.210 nan 0.000 0.543 20 P HA 0.148 nan 4.420 nan 0.000 0.266 20 P C -0.496 176.510 177.300 -0.491 0.000 1.195 20 P CA 0.114 62.571 63.100 -1.072 0.000 0.768 20 P CB 0.551 32.133 31.700 -0.197 0.000 0.838 21 R N 1.705 121.608 120.500 -0.995 0.000 2.778 21 R HA 0.393 4.733 4.340 0.000 0.000 0.277 21 R C 1.204 177.268 176.300 -0.394 0.000 0.977 21 R CA -0.873 54.949 56.100 -0.463 0.000 0.950 21 R CB 1.122 31.198 30.300 -0.372 0.000 1.165 21 R HN 0.204 nan 8.270 nan 0.000 0.474 22 R N 1.557 121.573 120.500 -0.806 0.000 2.105 22 R HA -0.159 4.181 4.340 0.000 0.000 0.239 22 R C 0.943 177.199 176.300 -0.073 0.000 1.135 22 R CA 2.397 58.001 56.100 -0.827 0.000 0.967 22 R CB -0.411 29.308 30.300 -0.968 0.000 0.861 22 R HN 0.738 nan 8.270 nan 0.000 0.442 23 D N -1.543 118.843 120.400 -0.024 0.000 2.349 23 D HA -0.111 4.529 4.640 0.000 0.000 0.224 23 D C 0.902 177.343 176.300 0.234 0.000 1.029 23 D CA 0.121 54.188 54.000 0.111 0.000 0.879 23 D CB -0.621 40.217 40.800 0.063 0.000 0.906 23 D HN 0.222 nan 8.370 nan 0.000 0.528 24 W N 0.418 121.682 121.300 -0.059 0.000 2.392 24 W HA 0.098 4.758 4.660 0.000 0.000 0.279 24 W C 0.184 176.392 176.519 -0.518 0.000 1.225 24 W CA -0.061 57.110 57.345 -0.291 0.000 1.233 24 W CB -0.868 28.340 29.460 -0.421 0.000 1.122 24 W HN -0.096 nan 8.180 nan 0.000 0.561 25 F N 0.280 120.325 119.950 0.158 0.000 2.458 25 F HA 0.406 4.933 4.527 0.000 0.000 0.330 25 F C -1.608 174.225 175.800 0.055 0.000 1.082 25 F CA -3.173 54.803 58.000 -0.040 0.000 0.995 25 F CB -0.196 38.647 39.000 -0.261 0.000 1.170 25 F HN -0.505 nan 8.300 nan 0.000 0.478 26 P HA 0.019 nan 4.420 nan 0.000 0.266 26 P C -2.073 175.387 177.300 0.267 0.000 1.193 26 P CA -0.664 62.573 63.100 0.228 0.000 0.770 26 P CB 0.170 32.023 31.700 0.254 0.000 0.836 27 P HA -0.206 nan 4.420 nan 0.000 0.217 27 P C 1.194 178.608 177.300 0.190 0.000 1.148 27 P CA 1.761 64.960 63.100 0.165 0.000 0.828 27 P CB -0.232 31.536 31.700 0.112 0.000 0.783 28 S N -2.732 113.086 115.700 0.198 0.000 2.562 28 S HA 0.009 4.479 4.470 0.000 0.000 0.221 28 S C 0.519 175.245 174.600 0.209 0.000 0.975 28 S CA -0.428 57.880 58.200 0.180 0.000 0.918 28 S CB -1.240 62.049 63.200 0.148 0.000 0.772 28 S HN -0.038 nan 8.310 nan 0.000 0.531 29 F N 2.435 122.450 119.950 0.108 0.000 2.563 29 F HA 0.395 4.922 4.527 0.000 0.000 0.363 29 F C 0.030 175.802 175.800 -0.047 0.000 1.123 29 F CA -0.518 57.502 58.000 0.034 0.000 1.307 29 F CB 0.421 39.477 39.000 0.092 0.000 1.115 29 F HN 0.059 nan 8.300 nan 0.000 0.592 30 L N 6.250 127.177 121.223 -0.494 0.000 2.295 30 L HA 0.366 4.706 4.340 0.000 0.000 0.285 30 L C -1.023 175.460 176.870 -0.645 0.000 1.035 30 L CA -0.669 53.945 54.840 -0.376 0.000 0.806 30 L CB 1.077 42.907 42.059 -0.382 0.000 1.214 30 L HN 0.458 nan 8.230 nan 0.000 0.426 31 F N 1.064 120.945 119.950 -0.116 0.000 2.458 31 F HA 0.744 5.271 4.527 0.000 0.000 0.336 31 F C 0.750 176.405 175.800 -0.242 0.000 1.114 31 F CA -0.298 57.641 58.000 -0.102 0.000 0.987 31 F CB 2.046 41.105 39.000 0.099 0.000 1.130 31 F HN 0.473 nan 8.300 nan 0.000 0.458 32 G N 0.613 109.260 108.800 -0.255 0.000 2.782 32 G HA2 0.822 4.782 3.960 0.000 0.000 0.304 32 G HA3 0.822 4.782 3.960 0.000 0.000 0.304 32 G C -2.046 172.901 174.900 0.077 0.000 1.315 32 G CA -0.583 44.413 45.100 -0.174 0.000 0.791 32 G HN 0.848 nan 8.290 nan 0.000 0.519 33 A N -1.706 121.294 122.820 0.299 0.000 2.532 33 A HA 1.028 5.348 4.320 0.000 0.000 0.290 33 A C -0.516 177.330 177.584 0.437 0.000 1.143 33 A CA 0.024 52.245 52.037 0.307 0.000 0.728 33 A CB 1.513 20.622 19.000 0.180 0.000 1.317 33 A HN 2.304 nan 8.150 nan 0.000 0.414 34 A N -0.139 122.812 122.820 0.219 0.000 2.498 34 A HA 0.973 5.293 4.320 0.000 0.000 0.298 34 A C -0.171 177.295 177.584 -0.197 0.000 1.075 34 A CA 0.107 52.208 52.037 0.107 0.000 0.714 34 A CB 1.423 20.557 19.000 0.224 0.000 1.299 34 A HN 2.163 nan 8.150 nan 0.000 0.407 35 T N -1.641 112.832 114.554 -0.135 0.000 2.778 35 T HA 0.853 5.203 4.350 0.000 0.000 0.293 35 T C -0.214 174.502 174.700 0.027 0.000 1.144 35 T CA -0.020 61.913 62.100 -0.279 0.000 1.010 35 T CB 1.218 70.044 68.868 -0.070 0.000 1.325 35 T HN 1.975 nan 8.240 nan 0.000 0.515 36 S N -0.648 115.042 115.700 -0.017 0.000 2.599 36 S HA 0.762 5.232 4.470 0.000 0.000 0.287 36 S C 1.400 175.964 174.600 -0.060 0.000 1.105 36 S CA -0.361 57.743 58.200 -0.160 0.000 0.899 36 S CB 1.343 64.015 63.200 -0.880 0.000 1.100 36 S HN 1.386 nan 8.310 nan 0.000 0.482 37 A N 1.178 124.028 122.820 0.050 0.000 1.851 37 A HA -0.053 4.267 4.320 0.000 0.000 0.216 37 A C 1.875 179.516 177.584 0.096 0.000 1.195 37 A CA 1.933 54.070 52.037 0.166 0.000 0.622 37 A CB -1.642 17.531 19.000 0.287 0.000 0.831 37 A HN 1.110 nan 8.150 nan 0.000 0.444 38 Y N 0.718 121.018 120.300 -0.001 0.000 2.274 38 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 38 Y C 2.465 178.246 175.900 -0.199 0.000 1.145 38 Y CA 2.128 60.204 58.100 -0.040 0.000 1.203 38 Y CB -0.230 38.265 38.460 0.058 0.000 0.984 38 Y HN 0.476 nan 8.280 nan 0.000 0.533 39 Q N -0.494 119.111 119.800 -0.325 0.000 2.297 39 Q HA -0.022 4.318 4.340 0.000 0.000 0.204 39 Q C 1.844 177.722 176.000 -0.204 0.000 0.962 39 Q CA 1.658 57.235 55.803 -0.376 0.000 0.879 39 Q CB 0.084 28.547 28.738 -0.459 0.000 0.947 39 Q HN 0.778 nan 8.270 nan 0.000 0.462 40 I N -4.492 115.993 120.570 -0.143 0.000 4.433 40 I HA 0.169 4.339 4.170 0.000 0.000 0.322 40 I C 1.571 177.669 176.117 -0.032 0.000 1.284 40 I CA 0.008 61.270 61.300 -0.062 0.000 1.269 40 I CB 0.246 38.234 38.000 -0.021 0.000 1.219 40 I HN -0.137 nan 8.210 nan 0.000 0.436 41 E N 2.299 122.478 120.200 -0.036 0.000 2.072 41 E HA 0.145 4.496 4.350 0.000 0.000 0.190 41 E C 1.575 178.152 176.600 -0.039 0.000 0.982 41 E CA 1.005 57.403 56.400 -0.002 0.000 0.803 41 E CB -0.172 29.533 29.700 0.009 0.000 0.755 41 E HN 0.656 nan 8.360 nan 0.000 0.453 42 G N 0.787 109.537 108.800 -0.084 0.000 2.552 42 G HA2 -0.330 3.630 3.960 0.000 0.000 0.265 42 G HA3 -0.330 3.630 3.960 0.000 0.000 0.265 42 G C 0.461 175.334 174.900 -0.045 0.000 1.234 42 G CA 0.370 45.452 45.100 -0.030 0.000 0.944 42 G HN 1.000 nan 8.290 nan 0.000 0.568 43 A N -1.366 121.452 122.820 -0.003 0.000 2.596 43 A HA -0.174 4.146 4.320 0.000 0.000 0.300 43 A C 1.356 178.812 177.584 -0.213 0.000 1.495 43 A CA 2.054 53.986 52.037 -0.176 0.000 0.769 43 A CB -2.113 16.517 19.000 -0.616 0.000 1.047 43 A HN 2.367 nan 8.150 nan 0.000 0.436 44 W N 0.571 121.808 121.300 -0.105 0.000 2.465 44 W HA -0.069 4.591 4.660 -0.000 0.000 0.268 44 W C 0.618 177.134 176.519 -0.005 0.000 1.242 44 W CA 1.251 58.582 57.345 -0.024 0.000 1.248 44 W CB -0.599 28.909 29.460 0.081 0.000 1.118 44 W HN 1.007 nan 8.180 nan 0.000 0.587 45 N N -0.068 118.019 118.700 -1.022 0.000 2.377 45 N HA 0.111 4.851 4.740 0.000 0.000 0.259 45 N C -0.812 174.374 175.510 -0.539 0.000 1.332 45 N CA -0.233 52.245 53.050 -0.954 0.000 0.877 45 N CB -0.570 36.950 38.487 -1.612 0.000 1.299 45 N HN 0.150 nan 8.380 nan 0.000 0.501 46 E N 0.481 120.427 120.200 -0.423 0.000 2.283 46 E HA 0.195 4.545 4.350 0.000 0.000 0.271 46 E C -0.563 175.898 176.600 -0.231 0.000 1.031 46 E CA -0.507 55.724 56.400 -0.280 0.000 0.868 46 E CB 0.633 30.181 29.700 -0.253 0.000 1.094 46 E HN 0.061 nan 8.360 nan 0.000 0.401 47 D N 1.705 122.044 120.400 -0.100 0.000 2.751 47 D HA -0.214 4.426 4.640 0.000 0.000 0.233 47 D C 0.637 176.911 176.300 -0.043 0.000 1.149 47 D CA 1.524 55.508 54.000 -0.027 0.000 0.682 47 D CB -1.294 39.544 40.800 0.064 0.000 1.068 47 D HN 0.886 nan 8.370 nan 0.000 0.429 48 G N -0.291 108.464 108.800 -0.075 0.000 2.175 48 G HA2 -0.377 3.583 3.960 0.000 0.000 0.244 48 G HA3 -0.377 3.583 3.960 0.000 0.000 0.244 48 G C 0.353 175.220 174.900 -0.054 0.000 0.982 48 G CA 0.510 45.580 45.100 -0.050 0.000 0.641 48 G HN 0.633 nan 8.290 nan 0.000 0.527 49 K N 1.151 121.491 120.400 -0.100 0.000 2.451 49 K HA 0.455 4.775 4.320 0.000 0.000 0.280 49 K C 1.169 177.737 176.600 -0.054 0.000 1.020 49 K CA 0.328 56.573 56.287 -0.070 0.000 1.008 49 K CB 0.019 32.443 32.500 -0.128 0.000 0.917 49 K HN 0.353 nan 8.250 nan 0.000 0.478 50 G N 4.325 113.128 108.800 0.006 0.000 2.537 50 G HA2 0.285 4.245 3.960 0.000 0.000 0.273 50 G HA3 0.285 4.245 3.960 0.000 0.000 0.273 50 G C -2.460 172.500 174.900 0.100 0.000 1.189 50 G CA -1.287 43.830 45.100 0.027 0.000 0.881 50 G HN 0.559 nan 8.290 nan 0.000 0.535 51 P HA 0.192 nan 4.420 nan 0.000 0.278 51 P C 0.001 177.409 177.300 0.179 0.000 1.238 51 P CA -0.236 63.032 63.100 0.279 0.000 0.794 51 P CB 1.551 33.448 31.700 0.328 0.000 0.955 52 S N 0.202 116.032 115.700 0.215 0.000 2.758 52 S HA 0.298 4.768 4.470 0.000 0.000 0.292 52 S C 1.521 176.191 174.600 0.116 0.000 1.131 52 S CA 0.080 58.370 58.200 0.150 0.000 0.997 52 S CB -0.134 63.195 63.200 0.216 0.000 1.111 52 S HN 0.542 nan 8.310 nan 0.000 0.552 53 T N -2.242 112.353 114.554 0.069 0.000 2.803 53 T HA -0.142 4.208 4.350 0.000 0.000 0.269 53 T C 1.181 175.818 174.700 -0.106 0.000 1.052 53 T CA 1.190 63.271 62.100 -0.032 0.000 1.136 53 T CB -0.749 68.062 68.868 -0.094 0.000 0.864 53 T HN 0.704 nan 8.240 nan 0.000 0.467 54 W N 1.959 123.199 121.300 -0.100 0.000 2.409 54 W HA 0.075 4.735 4.660 0.000 0.000 0.299 54 W C 2.234 178.580 176.519 -0.287 0.000 1.203 54 W CA 0.619 57.787 57.345 -0.294 0.000 1.298 54 W CB -0.145 28.791 29.460 -0.874 0.000 1.127 54 W HN 0.193 nan 8.180 nan 0.000 0.528 55 D N -1.240 119.143 120.400 -0.028 0.000 2.104 55 D HA -0.270 4.370 4.640 0.000 0.000 0.194 55 D C 1.656 177.771 176.300 -0.308 0.000 0.994 55 D CA 2.025 55.895 54.000 -0.217 0.000 0.830 55 D CB -0.793 40.075 40.800 0.114 0.000 0.959 55 D HN 0.309 nan 8.370 nan 0.000 0.452 56 H N -0.672 118.353 119.070 -0.074 0.000 2.353 56 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 56 H C 1.953 177.309 175.328 0.047 0.000 1.090 56 H CA 1.454 57.507 56.048 0.008 0.000 1.327 56 H CB -0.282 29.507 29.762 0.045 0.000 1.383 56 H HN 0.037 nan 8.280 nan 0.000 0.508 57 F N 0.255 120.214 119.950 0.015 0.000 2.102 57 F HA -0.212 4.315 4.527 0.000 0.000 0.298 57 F C 2.361 178.207 175.800 0.076 0.000 1.105 57 F CA 1.532 59.554 58.000 0.036 0.000 1.239 57 F CB -0.915 37.892 39.000 -0.322 0.000 0.991 57 F HN 0.292 nan 8.300 nan 0.000 0.474 58 C N -0.339 118.987 119.300 0.044 0.000 2.440 58 C HA -0.162 4.298 4.460 0.000 0.000 0.278 58 C C 2.634 177.592 174.990 -0.052 0.000 1.295 58 C CA 1.412 60.437 59.018 0.012 0.000 1.738 58 C CB -1.760 26.015 27.740 0.059 0.000 1.987 58 C HN 0.541 nan 8.230 nan 0.000 0.492 59 H N -0.327 118.656 119.070 -0.145 0.000 2.470 59 H HA -0.012 4.544 4.556 0.000 0.000 0.289 59 H C 1.939 177.097 175.328 -0.284 0.000 1.033 59 H CA 0.784 56.698 56.048 -0.225 0.000 1.331 59 H CB 0.077 29.672 29.762 -0.278 0.000 1.414 59 H HN 0.530 nan 8.280 nan 0.000 0.545 60 N N -0.015 118.512 118.700 -0.289 0.000 2.415 60 N HA -0.003 4.737 4.740 0.000 0.000 0.174 60 N C -0.418 174.632 175.510 -0.765 0.000 1.048 60 N CA 0.543 53.237 53.050 -0.593 0.000 0.895 60 N CB 0.680 38.638 38.487 -0.880 0.000 1.036 60 N HN 0.177 nan 8.380 nan 0.000 0.449 61 F N 1.032 120.845 119.950 -0.228 0.000 2.597 61 F HA 0.356 4.883 4.527 0.000 0.000 0.336 61 F C -1.670 174.036 175.800 -0.157 0.000 1.432 61 F CA -1.566 56.326 58.000 -0.179 0.000 1.120 61 F CB 1.438 40.199 39.000 -0.398 0.000 1.253 61 F HN -0.115 nan 8.300 nan 0.000 0.546 62 P HA -0.229 nan 4.420 nan 0.000 0.218 62 P C 1.316 178.655 177.300 0.065 0.000 1.149 62 P CA 1.488 64.615 63.100 0.046 0.000 0.817 62 P CB 0.189 31.905 31.700 0.026 0.000 0.785 63 E N -0.667 119.556 120.200 0.037 0.000 2.472 63 E HA -0.165 4.185 4.350 0.000 0.000 0.200 63 E C 0.886 177.379 176.600 -0.179 0.000 1.046 63 E CA 0.656 57.009 56.400 -0.079 0.000 0.871 63 E CB -0.898 28.712 29.700 -0.150 0.000 0.806 63 E HN 0.369 nan 8.360 nan 0.000 0.533 64 W N 0.894 122.190 121.300 -0.007 0.000 3.278 64 W HA 0.293 4.953 4.660 -0.000 0.000 0.308 64 W C 0.154 176.736 176.519 0.104 0.000 1.253 64 W CA -0.580 56.775 57.345 0.016 0.000 1.759 64 W CB 0.552 29.976 29.460 -0.060 0.000 1.093 64 W HN -0.129 nan 8.180 nan 0.000 0.648 65 I N 0.685 121.413 120.570 0.262 0.000 2.359 65 I HA 0.049 4.219 4.170 0.000 0.000 0.294 65 I C 1.274 177.489 176.117 0.163 0.000 0.987 65 I CA -0.604 60.861 61.300 0.276 0.000 1.225 65 I CB 1.047 39.251 38.000 0.340 0.000 1.366 65 I HN -0.262 nan 8.210 nan 0.000 0.466 66 V N 5.359 125.355 119.914 0.138 0.000 2.407 66 V HA -0.214 3.906 4.120 0.000 0.000 0.248 66 V C 1.509 177.650 176.094 0.079 0.000 1.055 66 V CA 2.425 64.778 62.300 0.088 0.000 1.049 66 V CB -0.293 31.581 31.823 0.084 0.000 0.662 66 V HN 0.938 nan 8.190 nan 0.000 0.455 67 D N -0.664 119.799 120.400 0.106 0.000 2.402 67 D HA 0.170 4.810 4.640 0.000 0.000 0.216 67 D C 1.054 177.435 176.300 0.134 0.000 1.128 67 D CA 0.550 54.618 54.000 0.114 0.000 0.833 67 D CB -0.327 40.555 40.800 0.137 0.000 0.971 67 D HN 0.514 nan 8.370 nan 0.000 0.503 68 R N -0.032 120.551 120.500 0.138 0.000 3.641 68 R HA -0.169 4.171 4.340 0.000 0.000 0.286 68 R C 0.664 177.076 176.300 0.187 0.000 1.153 68 R CA 1.198 57.380 56.100 0.138 0.000 0.775 68 R CB -3.439 nan 30.300 nan 0.000 1.215 68 R HN 0.812 nan 8.270 nan 0.000 0.474 69 S N -0.533 115.335 115.700 0.279 0.000 2.738 69 S HA 0.775 5.245 4.470 0.000 0.000 0.284 69 S C 0.248 175.078 174.600 0.384 0.000 1.146 69 S CA -0.069 58.346 58.200 0.358 0.000 0.997 69 S CB 1.612 65.128 63.200 0.527 0.000 1.081 69 S HN 1.683 nan 8.310 nan 0.000 0.553 70 N N -2.039 116.807 118.700 0.243 0.000 2.972 70 N HA 0.525 5.265 4.740 0.000 0.000 0.262 70 N C -0.030 175.167 175.510 -0.522 0.000 1.478 70 N CA -0.641 52.319 53.050 -0.151 0.000 0.841 70 N CB 0.385 38.843 38.487 -0.049 0.000 1.512 70 N HN 0.712 nan 8.380 nan 0.000 0.548 71 G N -1.301 107.006 108.800 -0.822 0.000 3.383 71 G HA2 0.057 4.017 3.960 0.000 0.000 0.251 71 G HA3 0.057 4.017 3.960 0.000 0.000 0.251 71 G C -0.186 174.443 174.900 -0.453 0.000 1.203 71 G CA -0.198 44.330 45.100 -0.954 0.000 0.852 71 G HN 0.559 nan 8.290 nan 0.000 0.531 72 D N 0.229 120.504 120.400 -0.208 0.000 2.123 72 D HA -0.108 4.532 4.640 0.000 0.000 0.196 72 D C 2.377 178.746 176.300 0.115 0.000 0.992 72 D CA 1.030 55.020 54.000 -0.016 0.000 0.833 72 D CB 0.329 41.124 40.800 -0.009 0.000 0.954 72 D HN 0.289 nan 8.370 nan 0.000 0.455 73 V N -0.850 119.081 119.914 0.028 0.000 3.090 73 V HA 0.381 4.501 4.120 0.000 0.000 0.237 73 V C 1.285 177.373 176.094 -0.009 0.000 1.209 73 V CA 0.577 62.900 62.300 0.038 0.000 1.209 73 V CB -0.021 31.817 31.823 0.025 0.000 0.971 73 V HN 0.309 nan 8.190 nan 0.000 0.477 74 A N 1.227 124.040 122.820 -0.011 0.000 5.382 74 A HA -0.317 4.003 4.320 0.000 0.000 0.307 74 A C 1.622 179.200 177.584 -0.010 0.000 1.937 74 A CA 2.003 54.071 52.037 0.051 0.000 0.715 74 A CB -2.007 16.953 19.000 -0.068 0.000 1.293 74 A HN 1.541 nan 8.150 nan 0.000 0.374 75 A N -0.873 121.945 122.820 -0.003 0.000 2.307 75 A HA 0.428 4.748 4.320 0.000 0.000 0.218 75 A C 0.767 178.354 177.584 0.004 0.000 1.228 75 A CA 1.867 53.891 52.037 -0.021 0.000 0.857 75 A CB -0.439 18.547 19.000 -0.023 0.000 0.897 75 A HN 2.115 nan 8.150 nan 0.000 0.495 76 D N -1.298 119.119 120.400 0.028 0.000 2.772 76 D HA -0.147 4.493 4.640 0.000 0.000 0.233 76 D C 0.919 177.282 176.300 0.105 0.000 1.143 76 D CA 1.050 55.106 54.000 0.094 0.000 0.700 76 D CB -1.573 39.297 40.800 0.116 0.000 1.076 76 D HN 0.286 nan 8.370 nan 0.000 0.430 77 S N -1.222 114.528 115.700 0.083 0.000 2.474 77 S HA -0.128 4.342 4.470 0.000 0.000 0.235 77 S C 1.356 176.072 174.600 0.193 0.000 0.997 77 S CA 0.620 58.903 58.200 0.138 0.000 0.949 77 S CB -0.206 63.080 63.200 0.143 0.000 0.766 77 S HN 0.590 nan 8.310 nan 0.000 0.517 78 Y N 2.029 122.228 120.300 -0.169 0.000 2.274 78 Y HA -0.185 4.365 4.550 0.000 0.000 0.290 78 Y C 2.176 177.891 175.900 -0.308 0.000 1.145 78 Y CA 1.689 59.444 58.100 -0.575 0.000 1.203 78 Y CB -0.152 37.814 38.460 -0.824 0.000 0.984 78 Y HN 0.423 nan 8.280 nan 0.000 0.533 79 H N -2.019 117.106 119.070 0.092 0.000 2.553 79 H HA 0.217 4.773 4.556 0.000 0.000 0.276 79 H C 1.257 176.612 175.328 0.044 0.000 0.979 79 H CA 0.922 57.003 56.048 0.056 0.000 1.268 79 H CB 0.099 29.887 29.762 0.043 0.000 1.450 79 H HN 0.385 nan 8.280 nan 0.000 0.527 80 M N 1.373 121.059 119.600 0.143 0.000 2.475 80 M HA 0.073 4.553 4.480 0.000 0.000 0.283 80 M C 1.096 177.355 176.300 -0.068 0.000 1.165 80 M CA -0.317 54.981 55.300 -0.002 0.000 0.976 80 M CB 0.147 32.756 32.600 0.014 0.000 1.428 80 M HN 0.171 nan 8.290 nan 0.000 0.495 81 Y N -0.476 119.818 120.300 -0.009 0.000 2.315 81 Y HA -0.021 4.529 4.550 0.000 0.000 0.288 81 Y C 2.075 177.912 175.900 -0.104 0.000 1.154 81 Y CA 1.292 59.359 58.100 -0.056 0.000 1.229 81 Y CB -0.999 37.415 38.460 -0.076 0.000 0.980 81 Y HN 0.204 nan 8.280 nan 0.000 0.540 82 A N 0.862 123.165 122.820 -0.861 0.000 2.015 82 A HA -0.125 4.195 4.320 0.000 0.000 0.219 82 A C 2.143 179.561 177.584 -0.275 0.000 1.163 82 A CA 1.481 53.188 52.037 -0.549 0.000 0.646 82 A CB -0.474 18.174 19.000 -0.587 0.000 0.806 82 A HN 0.494 nan 8.150 nan 0.000 0.448 83 E N 0.518 120.581 120.200 -0.227 0.000 2.106 83 E HA -0.155 4.195 4.350 0.000 0.000 0.192 83 E C 1.319 177.836 176.600 -0.137 0.000 0.984 83 E CA 1.219 57.531 56.400 -0.147 0.000 0.806 83 E CB -0.320 29.314 29.700 -0.109 0.000 0.750 83 E HN 0.571 nan 8.360 nan 0.000 0.458 84 D N 0.328 120.643 120.400 -0.141 0.000 2.117 84 D HA -0.117 4.523 4.640 0.000 0.000 0.197 84 D C 2.138 178.290 176.300 -0.246 0.000 0.987 84 D CA 0.742 54.632 54.000 -0.183 0.000 0.829 84 D CB -0.253 40.447 40.800 -0.167 0.000 0.961 84 D HN 0.020 nan 8.370 nan 0.000 0.460 85 V N 0.937 120.727 119.914 -0.206 0.000 2.358 85 V HA -0.204 3.916 4.120 0.000 0.000 0.246 85 V C 2.559 178.568 176.094 -0.142 0.000 1.047 85 V CA 1.564 63.754 62.300 -0.183 0.000 1.035 85 V CB -0.477 31.279 31.823 -0.112 0.000 0.658 85 V HN 0.140 nan 8.190 nan 0.000 0.452 86 R N 0.006 120.430 120.500 -0.127 0.000 2.091 86 R HA -0.179 4.161 4.340 0.000 0.000 0.238 86 R C 2.273 178.519 176.300 -0.091 0.000 1.136 86 R CA 1.818 57.859 56.100 -0.098 0.000 0.959 86 R CB -0.345 29.898 30.300 -0.095 0.000 0.856 86 R HN 0.455 nan 8.270 nan 0.000 0.437 87 L N 0.593 121.753 121.223 -0.105 0.000 2.046 87 L HA -0.184 4.156 4.340 0.000 0.000 0.208 87 L C 2.500 179.315 176.870 -0.091 0.000 1.077 87 L CA 1.119 55.905 54.840 -0.090 0.000 0.747 87 L CB -0.376 41.628 42.059 -0.093 0.000 0.896 87 L HN 0.241 nan 8.230 nan 0.000 0.432 88 L N -0.266 120.877 121.223 -0.133 0.000 2.042 88 L HA -0.245 4.095 4.340 0.000 0.000 0.210 88 L C 2.703 179.536 176.870 -0.062 0.000 1.076 88 L CA 1.186 55.957 54.840 -0.115 0.000 0.749 88 L CB -0.441 41.503 42.059 -0.192 0.000 0.893 88 L HN 0.192 nan 8.230 nan 0.000 0.432 89 K N 0.659 121.020 120.400 -0.065 0.000 2.025 89 K HA -0.178 4.142 4.320 0.000 0.000 0.207 89 K C 1.895 178.472 176.600 -0.038 0.000 1.049 89 K CA 1.570 57.833 56.287 -0.041 0.000 0.933 89 K CB -0.168 32.306 32.500 -0.042 0.000 0.714 89 K HN 0.276 nan 8.250 nan 0.000 0.438 90 E N -0.335 119.838 120.200 -0.045 0.000 2.160 90 E HA -0.162 4.188 4.350 0.000 0.000 0.195 90 E C 1.839 178.416 176.600 -0.038 0.000 0.991 90 E CA 1.362 57.738 56.400 -0.040 0.000 0.810 90 E CB -0.128 29.547 29.700 -0.041 0.000 0.742 90 E HN 0.368 nan 8.360 nan 0.000 0.466 91 M N -0.719 118.860 119.600 -0.035 0.000 2.619 91 M HA 0.046 4.526 4.480 0.000 0.000 0.251 91 M C 1.063 177.347 176.300 -0.027 0.000 1.106 91 M CA 0.695 55.978 55.300 -0.029 0.000 1.086 91 M CB 0.477 33.069 32.600 -0.013 0.000 1.465 91 M HN 0.269 nan 8.290 nan 0.000 0.506 92 G N 1.092 109.878 108.800 -0.023 0.000 2.176 92 G HA2 -0.213 3.747 3.960 0.000 0.000 0.252 92 G HA3 -0.213 3.747 3.960 0.000 0.000 0.252 92 G C 0.092 175.003 174.900 0.019 0.000 1.024 92 G CA -0.231 44.860 45.100 -0.015 0.000 0.755 92 G HN 0.293 nan 8.290 nan 0.000 0.507 93 M N 0.523 120.141 119.600 0.030 0.000 2.245 93 M HA 0.195 4.675 4.480 0.000 0.000 0.344 93 M C 1.102 177.441 176.300 0.065 0.000 1.170 93 M CA 0.165 55.505 55.300 0.066 0.000 1.135 93 M CB 0.316 32.951 32.600 0.058 0.000 1.574 93 M HN 0.114 nan 8.290 nan 0.000 0.452 94 D N 0.995 121.440 120.400 0.076 0.000 2.305 94 D HA 0.255 4.895 4.640 0.000 0.000 0.206 94 D C 0.269 176.610 176.300 0.069 0.000 0.974 94 D CA 0.595 54.635 54.000 0.066 0.000 0.871 94 D CB 0.611 41.447 40.800 0.061 0.000 0.947 94 D HN 0.624 nan 8.370 nan 0.000 0.516 95 A N -0.080 122.774 122.820 0.057 0.000 2.609 95 A HA 0.516 4.836 4.320 0.000 0.000 0.291 95 A C -2.101 175.683 177.584 0.334 0.000 1.096 95 A CA -0.629 51.501 52.037 0.155 0.000 0.684 95 A CB 1.910 20.906 19.000 -0.008 0.000 1.282 95 A HN 0.020 nan 8.150 nan 0.000 0.412 96 Y N 0.696 121.186 120.300 0.317 0.000 2.396 96 Y HA 0.634 5.184 4.550 0.000 0.000 0.332 96 Y C -0.480 175.622 175.900 0.337 0.000 1.034 96 Y CA -0.863 57.436 58.100 0.331 0.000 1.057 96 Y CB 1.512 40.118 38.460 0.242 0.000 1.220 96 Y HN 0.834 nan 8.280 nan 0.000 0.440 97 R N 7.132 127.600 120.500 -0.053 0.000 2.255 97 R HA 0.635 4.975 4.340 0.000 0.000 0.326 97 R C -1.690 174.297 176.300 -0.521 0.000 0.986 97 R CA -0.344 55.507 56.100 -0.415 0.000 0.847 97 R CB 0.464 30.378 30.300 -0.642 0.000 1.111 97 R HN 0.582 nan 8.270 nan 0.000 0.452 98 F N 0.672 120.269 119.950 -0.588 0.000 2.664 98 F HA 0.641 5.168 4.527 -0.000 0.000 0.317 98 F C -1.009 174.653 175.800 -0.229 0.000 1.108 98 F CA -1.115 56.609 58.000 -0.460 0.000 0.957 98 F CB 1.384 40.040 39.000 -0.573 0.000 1.365 98 F HN 0.424 nan 8.300 nan 0.000 0.475 99 S N 0.960 116.692 115.700 0.053 0.000 2.648 99 S HA 0.795 5.265 4.470 0.000 0.000 0.305 99 S C -1.008 173.665 174.600 0.122 0.000 1.094 99 S CA -0.755 57.443 58.200 -0.003 0.000 0.983 99 S CB 1.603 64.850 63.200 0.078 0.000 1.101 99 S HN 0.723 nan 8.310 nan 0.000 0.514 100 I N 2.041 122.613 120.570 0.003 0.000 2.359 100 I HA 0.305 4.475 4.170 0.000 0.000 0.294 100 I C 0.362 176.646 176.117 0.278 0.000 0.987 100 I CA -0.522 60.715 61.300 -0.105 0.000 1.225 100 I CB 1.943 39.785 38.000 -0.262 0.000 1.366 100 I HN 0.756 nan 8.210 nan 0.000 0.466 101 S N 6.444 122.375 115.700 0.386 0.000 2.430 101 S HA -0.010 4.460 4.470 0.000 0.000 0.282 101 S C 0.885 175.675 174.600 0.317 0.000 1.186 101 S CA -0.360 58.075 58.200 0.392 0.000 1.060 101 S CB 0.155 63.594 63.200 0.397 0.000 0.966 101 S HN 0.685 nan 8.310 nan 0.000 0.501 102 W N 7.580 128.794 121.300 -0.143 0.000 2.301 102 W HA -0.087 4.573 4.660 0.000 0.000 0.325 102 W C -1.347 174.959 176.519 -0.355 0.000 1.250 102 W CA 1.692 58.510 57.345 -0.879 0.000 1.261 102 W CB -1.759 27.236 29.460 -0.775 0.000 1.157 102 W HN 0.626 nan 8.180 nan 0.000 0.473 103 P HA -0.098 nan 4.420 nan 0.000 0.237 103 P C 1.547 178.917 177.300 0.116 0.000 1.178 103 P CA 1.373 64.505 63.100 0.054 0.000 0.766 103 P CB -0.343 31.374 31.700 0.027 0.000 0.876 104 R N -0.247 120.364 120.500 0.185 0.000 2.153 104 R HA 0.014 4.354 4.340 0.000 0.000 0.218 104 R C 1.845 178.300 176.300 0.258 0.000 1.072 104 R CA 0.738 56.959 56.100 0.201 0.000 0.990 104 R CB -0.148 30.312 30.300 0.268 0.000 0.889 104 R HN 0.049 nan 8.270 nan 0.000 0.452 105 I N 0.434 121.185 120.570 0.301 0.000 2.429 105 I HA -0.013 4.157 4.170 0.000 0.000 0.247 105 I C 0.731 176.983 176.117 0.225 0.000 1.099 105 I CA 0.907 62.398 61.300 0.318 0.000 1.422 105 I CB -0.192 38.076 38.000 0.446 0.000 1.112 105 I HN 0.060 nan 8.210 nan 0.000 0.430 106 L N 1.956 123.305 121.223 0.209 0.000 2.408 106 L HA 0.264 4.604 4.340 0.000 0.000 0.257 106 L C -1.710 175.219 176.870 0.098 0.000 1.053 106 L CA -1.291 53.653 54.840 0.174 0.000 0.922 106 L CB 1.303 43.516 42.059 0.258 0.000 1.261 106 L HN -0.120 nan 8.230 nan 0.000 0.458 107 P HA -0.159 nan 4.420 nan 0.000 0.217 107 P C 0.805 178.102 177.300 -0.004 0.000 1.148 107 P CA 1.382 64.500 63.100 0.030 0.000 0.828 107 P CB 0.214 31.930 31.700 0.027 0.000 0.783 108 K N -2.072 118.329 120.400 0.003 0.000 2.387 108 K HA 0.302 4.622 4.320 0.000 0.000 0.198 108 K C 1.236 177.804 176.600 -0.054 0.000 1.022 108 K CA 0.553 56.827 56.287 -0.023 0.000 1.128 108 K CB -0.061 32.441 32.500 0.003 0.000 0.853 108 K HN 0.088 nan 8.250 nan 0.000 0.523 109 G N 1.676 110.439 108.800 -0.061 0.000 2.253 109 G HA2 -0.311 3.649 3.960 0.000 0.000 0.251 109 G HA3 -0.311 3.649 3.960 0.000 0.000 0.251 109 G C 0.392 175.418 174.900 0.211 0.000 0.998 109 G CA 0.798 45.831 45.100 -0.111 0.000 0.621 109 G HN 0.433 nan 8.290 nan 0.000 0.524 110 T N -2.033 112.613 114.554 0.155 0.000 2.924 110 T HA 0.729 5.079 4.350 0.000 0.000 0.291 110 T C 1.257 176.042 174.700 0.141 0.000 1.045 110 T CA -0.260 61.943 62.100 0.173 0.000 1.015 110 T CB 1.991 70.932 68.868 0.121 0.000 1.103 110 T HN 0.167 nan 8.240 nan 0.000 0.496 111 L N 0.996 122.291 121.223 0.120 0.000 2.046 111 L HA -0.039 4.301 4.340 0.000 0.000 0.208 111 L C 2.895 179.802 176.870 0.063 0.000 1.077 111 L CA 2.349 57.237 54.840 0.080 0.000 0.747 111 L CB -1.338 40.753 42.059 0.054 0.000 0.896 111 L HN 1.015 nan 8.230 nan 0.000 0.432 112 A N -0.416 122.441 122.820 0.062 0.000 1.972 112 A HA -0.116 4.204 4.320 0.000 0.000 0.219 112 A C 2.220 179.831 177.584 0.045 0.000 1.169 112 A CA 1.479 53.545 52.037 0.048 0.000 0.635 112 A CB -0.919 18.109 19.000 0.047 0.000 0.810 112 A HN 0.486 nan 8.150 nan 0.000 0.446 113 G N -1.286 107.546 108.800 0.052 0.000 2.598 113 G HA2 0.412 4.372 3.960 0.000 0.000 0.215 113 G HA3 0.412 4.372 3.960 0.000 0.000 0.215 113 G C 0.895 175.822 174.900 0.045 0.000 1.131 113 G CA 0.688 45.815 45.100 0.044 0.000 0.785 113 G HN 1.712 nan 8.290 nan 0.000 0.539 114 G N -0.787 108.044 108.800 0.052 0.000 2.712 114 G HA2 -0.110 3.850 3.960 0.000 0.000 0.686 114 G HA3 -0.110 3.850 3.960 0.000 0.000 0.686 114 G C -0.510 174.430 174.900 0.067 0.000 1.181 114 G CA -0.652 44.479 45.100 0.051 0.000 0.762 114 G HN 0.411 nan 8.290 nan 0.000 0.641 115 I N 1.290 121.898 120.570 0.065 0.000 2.371 115 I HA 0.167 4.337 4.170 0.000 0.000 0.290 115 I C 0.593 176.762 176.117 0.086 0.000 1.028 115 I CA -0.763 60.586 61.300 0.083 0.000 1.345 115 I CB 1.423 39.462 38.000 0.064 0.000 1.407 115 I HN 0.500 nan 8.210 nan 0.000 0.501 116 N N 5.196 123.964 118.700 0.112 0.000 2.421 116 N HA -0.027 4.713 4.740 0.000 0.000 0.260 116 N C 0.784 176.374 175.510 0.132 0.000 1.173 116 N CA 0.246 53.362 53.050 0.110 0.000 0.960 116 N CB 0.634 39.191 38.487 0.115 0.000 1.273 116 N HN 0.436 nan 8.380 nan 0.000 0.497 117 E N 2.913 123.174 120.200 0.103 0.000 2.204 117 E HA -0.104 4.246 4.350 0.000 0.000 0.195 117 E C 1.034 177.713 176.600 0.132 0.000 0.990 117 E CA 1.364 57.829 56.400 0.107 0.000 0.821 117 E CB 0.209 29.954 29.700 0.075 0.000 0.750 117 E HN 0.570 nan 8.360 nan 0.000 0.477 118 K N -1.005 119.471 120.400 0.126 0.000 2.155 118 K HA -0.091 4.229 4.320 0.000 0.000 0.203 118 K C 2.418 179.141 176.600 0.205 0.000 1.052 118 K CA 1.330 57.703 56.287 0.143 0.000 0.948 118 K CB -0.014 32.560 32.500 0.123 0.000 0.728 118 K HN 0.062 nan 8.250 nan 0.000 0.448 119 R N 0.780 121.416 120.500 0.227 0.000 2.075 119 R HA -0.055 4.285 4.340 0.000 0.000 0.232 119 R C 2.209 178.775 176.300 0.443 0.000 1.126 119 R CA 1.699 57.991 56.100 0.320 0.000 0.963 119 R CB -1.500 nan 30.300 nan 0.000 0.858 119 R HN 0.015 nan 8.270 nan 0.000 0.435 120 V N 1.657 121.812 119.914 0.401 0.000 2.332 120 V HA -0.307 3.813 4.120 0.000 0.000 0.248 120 V C 2.388 178.732 176.094 0.416 0.000 1.055 120 V CA 2.389 64.978 62.300 0.483 0.000 1.038 120 V CB -0.585 31.390 31.823 0.254 0.000 0.651 120 V HN 0.683 nan 8.190 nan 0.000 0.450 121 E N -0.841 119.506 120.200 0.246 0.000 2.077 121 E HA -0.269 4.081 4.350 0.000 0.000 0.193 121 E C 2.116 178.745 176.600 0.048 0.000 0.989 121 E CA 1.728 58.215 56.400 0.144 0.000 0.800 121 E CB -0.354 29.405 29.700 0.099 0.000 0.746 121 E HN 0.736 nan 8.360 nan 0.000 0.452 122 Y N 0.660 120.885 120.300 -0.126 0.000 2.081 122 Y HA -0.340 4.210 4.550 0.000 0.000 0.280 122 Y C 1.842 177.447 175.900 -0.492 0.000 1.163 122 Y CA 1.771 59.612 58.100 -0.432 0.000 1.135 122 Y CB -0.559 37.610 38.460 -0.484 0.000 0.970 122 Y HN 0.052 nan 8.280 nan 0.000 0.498 123 Y N 0.084 120.222 120.300 -0.270 0.000 2.314 123 Y HA -0.169 4.381 4.550 -0.000 0.000 0.293 123 Y C 2.489 178.147 175.900 -0.404 0.000 1.129 123 Y CA 1.358 59.156 58.100 -0.504 0.000 1.201 123 Y CB -0.840 37.339 38.460 -0.468 0.000 0.999 123 Y HN 0.181 nan 8.280 nan 0.000 0.541 124 N N 0.486 119.219 118.700 0.056 0.000 2.104 124 N HA -0.162 4.578 4.740 0.000 0.000 0.190 124 N C 1.633 177.103 175.510 -0.067 0.000 1.024 124 N CA 1.325 54.436 53.050 0.101 0.000 0.853 124 N CB -0.203 38.414 38.487 0.217 0.000 1.008 124 N HN 0.387 nan 8.380 nan 0.000 0.424 125 K N 0.337 120.617 120.400 -0.200 0.000 2.057 125 K HA -0.115 4.205 4.320 0.000 0.000 0.207 125 K C 1.935 178.362 176.600 -0.289 0.000 1.049 125 K CA 0.657 56.805 56.287 -0.231 0.000 0.931 125 K CB -0.289 32.013 32.500 -0.330 0.000 0.714 125 K HN 0.065 nan 8.250 nan 0.000 0.440 126 L N 1.640 122.512 121.223 -0.585 0.000 2.046 126 L HA -0.135 4.205 4.340 0.000 0.000 0.208 126 L C 1.942 178.674 176.870 -0.230 0.000 1.077 126 L CA 1.524 56.074 54.840 -0.485 0.000 0.747 126 L CB -0.275 41.289 42.059 -0.824 0.000 0.896 126 L HN 0.113 nan 8.230 nan 0.000 0.432 127 I N -0.390 120.073 120.570 -0.179 0.000 2.202 127 I HA -0.262 3.908 4.170 0.000 0.000 0.242 127 I C 2.066 178.184 176.117 0.002 0.000 1.091 127 I CA 1.292 62.571 61.300 -0.036 0.000 1.368 127 I CB -0.535 37.464 38.000 -0.003 0.000 1.058 127 I HN 0.267 nan 8.210 nan 0.000 0.410 128 D N 0.653 121.051 120.400 -0.003 0.000 2.104 128 D HA -0.193 4.447 4.640 0.000 0.000 0.194 128 D C 2.003 178.316 176.300 0.021 0.000 0.994 128 D CA 1.234 55.247 54.000 0.021 0.000 0.830 128 D CB -0.312 40.502 40.800 0.023 0.000 0.959 128 D HN 0.142 nan 8.370 nan 0.000 0.452 129 L N 0.460 121.693 121.223 0.017 0.000 2.056 129 L HA -0.071 4.269 4.340 0.000 0.000 0.207 129 L C 2.213 179.092 176.870 0.015 0.000 1.078 129 L CA 1.210 56.065 54.840 0.025 0.000 0.749 129 L CB -0.526 41.570 42.059 0.061 0.000 0.901 129 L HN 0.024 nan 8.230 nan 0.000 0.433 130 L N -1.294 119.940 121.223 0.017 0.000 1.989 130 L HA -0.289 4.051 4.340 0.000 0.000 0.211 130 L C 2.494 179.394 176.870 0.050 0.000 1.071 130 L CA 1.598 56.463 54.840 0.042 0.000 0.749 130 L CB -0.681 41.436 42.059 0.098 0.000 0.890 130 L HN 0.271 nan 8.230 nan 0.000 0.431 131 L N -0.459 120.794 121.223 0.050 0.000 2.083 131 L HA -0.227 4.113 4.340 0.000 0.000 0.209 131 L C 2.623 179.516 176.870 0.037 0.000 1.083 131 L CA 1.413 56.282 54.840 0.049 0.000 0.752 131 L CB -0.577 41.511 42.059 0.048 0.000 0.899 131 L HN 0.391 nan 8.230 nan 0.000 0.433 132 E N 0.795 121.012 120.200 0.029 0.000 2.204 132 E HA -0.231 4.119 4.350 0.000 0.000 0.195 132 E C 1.227 177.837 176.600 0.016 0.000 0.990 132 E CA 1.432 57.845 56.400 0.021 0.000 0.821 132 E CB 0.049 29.759 29.700 0.016 0.000 0.750 132 E HN 0.508 nan 8.360 nan 0.000 0.477 133 N N -0.758 117.951 118.700 0.016 0.000 2.270 133 N HA 0.157 4.897 4.740 0.000 0.000 0.198 133 N C 0.250 175.772 175.510 0.020 0.000 1.117 133 N CA 0.529 53.585 53.050 0.009 0.000 0.845 133 N CB 1.274 39.758 38.487 -0.004 0.000 0.980 133 N HN 0.272 nan 8.380 nan 0.000 0.486 134 G N 0.783 109.603 108.800 0.032 0.000 2.176 134 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 134 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 134 G C -0.166 174.769 174.900 0.058 0.000 1.024 134 G CA -0.044 45.081 45.100 0.042 0.000 0.755 134 G HN 0.287 nan 8.290 nan 0.000 0.507 135 I N 0.190 120.802 120.570 0.069 0.000 2.354 135 I HA 0.417 4.587 4.170 0.000 0.000 0.292 135 I C 0.247 176.448 176.117 0.140 0.000 0.989 135 I CA -0.944 60.418 61.300 0.102 0.000 1.188 135 I CB 1.690 39.749 38.000 0.098 0.000 1.342 135 I HN 0.088 nan 8.210 nan 0.000 0.457 136 E N 9.125 129.427 120.200 0.170 0.000 2.223 136 E HA 0.298 4.648 4.350 0.000 0.000 0.282 136 E C -2.415 174.347 176.600 0.271 0.000 1.046 136 E CA -2.043 54.474 56.400 0.194 0.000 0.857 136 E CB 0.772 30.610 29.700 0.230 0.000 1.055 136 E HN 0.140 nan 8.360 nan 0.000 0.409 137 P HA 0.083 nan 4.420 nan 0.000 0.282 137 P C -1.278 175.970 177.300 -0.087 0.000 1.262 137 P CA -0.063 63.113 63.100 0.127 0.000 0.773 137 P CB 0.240 31.978 31.700 0.063 0.000 0.879 138 Y N 3.017 123.110 120.300 -0.345 0.000 2.388 138 Y HA 0.406 4.956 4.550 0.000 0.000 0.328 138 Y C 0.516 175.945 175.900 -0.785 0.000 0.963 138 Y CA -0.513 57.271 58.100 -0.528 0.000 1.240 138 Y CB 0.915 39.083 38.460 -0.487 0.000 1.118 138 Y HN 0.224 nan 8.280 nan 0.000 0.484 139 I N 3.536 123.586 120.570 -0.866 0.000 2.336 139 I HA 0.260 4.430 4.170 0.000 0.000 0.292 139 I C -0.028 175.784 176.117 -0.509 0.000 0.991 139 I CA -0.512 60.213 61.300 -0.958 0.000 1.227 139 I CB 1.490 38.777 38.000 -1.189 0.000 1.366 139 I HN 0.462 nan 8.210 nan 0.000 0.466 140 T N 6.878 121.194 114.554 -0.397 0.000 2.743 140 T HA 0.348 4.698 4.350 0.000 0.000 0.293 140 T C 1.438 176.082 174.700 -0.094 0.000 0.945 140 T CA -0.231 61.764 62.100 -0.175 0.000 1.030 140 T CB 1.164 69.969 68.868 -0.105 0.000 0.912 140 T HN 0.384 nan 8.240 nan 0.000 0.483 141 I N 1.761 122.306 120.570 -0.041 0.000 2.286 141 I HA 0.076 4.246 4.170 0.000 0.000 0.245 141 I C 0.475 176.724 176.117 0.219 0.000 1.104 141 I CA 1.079 62.334 61.300 -0.075 0.000 1.397 141 I CB 0.145 37.961 38.000 -0.306 0.000 1.072 141 I HN 0.464 nan 8.210 nan 0.000 0.417 142 F N 0.608 120.578 119.950 0.033 0.000 2.507 142 F HA 0.402 4.929 4.527 -0.000 0.000 0.328 142 F C -0.159 175.722 175.800 0.134 0.000 1.136 142 F CA -0.735 57.386 58.000 0.202 0.000 0.930 142 F CB 0.830 39.959 39.000 0.214 0.000 1.166 142 F HN -0.074 nan 8.300 nan 0.000 0.436 143 H N 6.915 125.665 119.070 -0.534 0.000 2.535 143 H HA 0.187 4.743 4.556 0.000 0.000 0.232 143 H C -0.690 174.217 175.328 -0.702 0.000 1.405 143 H CA -0.242 55.432 56.048 -0.623 0.000 1.224 143 H CB -0.052 29.502 29.762 -0.346 0.000 1.763 143 H HN 0.888 nan 8.280 nan 0.000 0.529 144 W N 0.187 120.637 121.300 -1.417 0.000 1.619 144 W HA -0.207 4.453 4.660 0.000 0.000 0.250 144 W C -0.069 176.361 176.519 -0.148 0.000 1.014 144 W CA 0.732 57.606 57.345 -0.786 0.000 0.427 144 W CB -2.230 27.066 29.460 -0.274 0.000 2.027 144 W HN 0.525 nan 8.180 nan 0.000 1.216 145 D N 0.613 121.015 120.400 0.004 0.000 2.943 145 D HA 0.293 4.933 4.640 0.000 0.000 0.249 145 D C 0.311 176.884 176.300 0.455 0.000 1.231 145 D CA -0.092 54.114 54.000 0.342 0.000 0.979 145 D CB -0.494 40.501 40.800 0.326 0.000 1.053 145 D HN -0.114 nan 8.370 nan 0.000 0.504 146 T N 1.964 116.877 114.554 0.598 0.000 2.902 146 T HA 0.141 4.491 4.350 0.000 0.000 0.301 146 T C -2.286 172.408 174.700 -0.011 0.000 1.012 146 T CA -0.772 61.575 62.100 0.412 0.000 1.151 146 T CB 0.614 69.790 68.868 0.514 0.000 0.946 146 T HN 0.151 nan 8.240 nan 0.000 0.542 147 P HA 0.062 nan 4.420 nan 0.000 0.263 147 P C 0.542 177.702 177.300 -0.234 0.000 1.195 147 P CA 0.014 62.908 63.100 -0.344 0.000 0.762 147 P CB 0.502 31.826 31.700 -0.627 0.000 0.799 148 Q N 5.129 124.862 119.800 -0.112 0.000 2.226 148 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 148 Q C 1.894 177.797 176.000 -0.162 0.000 0.975 148 Q CA 2.066 57.799 55.803 -0.116 0.000 0.866 148 Q CB -1.001 27.721 28.738 -0.028 0.000 0.915 148 Q HN 0.487 nan 8.270 nan 0.000 0.440 149 A N 0.140 122.869 122.820 -0.152 0.000 1.978 149 A HA -0.156 4.164 4.320 0.000 0.000 0.220 149 A C 1.985 179.410 177.584 -0.265 0.000 1.170 149 A CA 1.525 53.466 52.037 -0.160 0.000 0.636 149 A CB -0.688 18.241 19.000 -0.118 0.000 0.810 149 A HN 0.474 nan 8.150 nan 0.000 0.448 150 L N -0.889 120.109 121.223 -0.376 0.000 2.156 150 L HA -0.091 4.249 4.340 0.000 0.000 0.208 150 L C 2.407 178.857 176.870 -0.700 0.000 1.095 150 L CA 0.541 54.992 54.840 -0.649 0.000 0.770 150 L CB -0.499 41.183 42.059 -0.629 0.000 0.914 150 L HN 0.223 nan 8.230 nan 0.000 0.439 151 V N -0.085 119.597 119.914 -0.387 0.000 2.307 151 V HA -0.264 3.856 4.120 0.000 0.000 0.245 151 V C 2.134 178.087 176.094 -0.235 0.000 1.045 151 V CA 1.849 63.991 62.300 -0.264 0.000 1.024 151 V CB -0.473 31.234 31.823 -0.192 0.000 0.651 151 V HN 0.411 nan 8.190 nan 0.000 0.449 152 D N 0.649 120.921 120.400 -0.213 0.000 2.133 152 D HA -0.177 4.463 4.640 0.000 0.000 0.195 152 D C 2.174 178.395 176.300 -0.131 0.000 0.997 152 D CA 1.856 55.771 54.000 -0.141 0.000 0.840 152 D CB -0.339 40.399 40.800 -0.103 0.000 0.947 152 D HN 0.469 nan 8.370 nan 0.000 0.452 153 A N -0.045 122.648 122.820 -0.212 0.000 1.897 153 A HA -0.105 4.215 4.320 0.000 0.000 0.215 153 A C 1.254 178.829 177.584 -0.016 0.000 1.181 153 A CA 1.581 53.541 52.037 -0.129 0.000 0.620 153 A CB -0.392 18.518 19.000 -0.149 0.000 0.821 153 A HN 0.470 nan 8.150 nan 0.000 0.443 154 Y N -5.105 115.180 120.300 -0.025 0.000 2.954 154 Y HA 0.476 5.026 4.550 0.000 0.000 0.267 154 Y C 0.705 176.596 175.900 -0.016 0.000 1.093 154 Y CA -0.518 57.571 58.100 -0.018 0.000 1.257 154 Y CB -0.483 37.967 38.460 -0.017 0.000 1.317 154 Y HN 0.724 nan 8.280 nan 0.000 0.587 155 G N 0.336 109.122 108.800 -0.024 0.000 2.141 155 G HA2 0.103 4.063 3.960 0.000 0.000 0.242 155 G HA3 0.103 4.063 3.960 0.000 0.000 0.242 155 G C 1.351 176.294 174.900 0.071 0.000 0.982 155 G CA 0.530 45.649 45.100 0.032 0.000 0.662 155 G HN 1.666 nan 8.290 nan 0.000 0.527 156 G N -0.284 108.480 108.800 -0.061 0.000 2.622 156 G HA2 -0.248 3.712 3.960 0.000 0.000 0.307 156 G HA3 -0.248 3.712 3.960 0.000 0.000 0.307 156 G C 0.846 175.865 174.900 0.199 0.000 1.226 156 G CA 0.849 45.965 45.100 0.027 0.000 0.997 156 G HN 1.023 nan 8.290 nan 0.000 0.551 157 F N 1.209 121.260 119.950 0.168 0.000 2.583 157 F HA 0.193 4.720 4.527 -0.000 0.000 0.297 157 F C 2.573 178.355 175.800 -0.030 0.000 1.131 157 F CA 1.008 59.062 58.000 0.091 0.000 1.467 157 F CB -0.108 38.943 39.000 0.085 0.000 1.097 157 F HN 0.174 nan 8.300 nan 0.000 0.586 158 L N -1.105 120.189 121.223 0.118 0.000 2.552 158 L HA -0.017 4.323 4.340 0.000 0.000 0.227 158 L C 0.464 177.367 176.870 0.055 0.000 1.146 158 L CA 0.617 55.474 54.840 0.029 0.000 0.858 158 L CB -0.190 41.891 42.059 0.038 0.000 0.969 158 L HN 0.011 nan 8.230 nan 0.000 0.451 159 D N -0.270 120.184 120.400 0.090 0.000 2.619 159 D HA 0.045 4.685 4.640 0.000 0.000 0.241 159 D C 0.495 176.758 176.300 -0.062 0.000 1.087 159 D CA -0.241 53.771 54.000 0.019 0.000 0.851 159 D CB 1.967 42.789 40.800 0.038 0.000 1.474 159 D HN 0.214 nan 8.370 nan 0.000 0.478 160 E N 2.292 122.448 120.200 -0.074 0.000 2.333 160 E HA -0.166 4.184 4.350 0.000 0.000 0.198 160 E C 1.164 177.668 176.600 -0.159 0.000 1.007 160 E CA 0.709 57.068 56.400 -0.067 0.000 0.845 160 E CB 0.043 29.732 29.700 -0.018 0.000 0.766 160 E HN 0.314 nan 8.360 nan 0.000 0.507 161 R N 0.069 120.354 120.500 -0.358 0.000 2.200 161 R HA -0.098 4.242 4.340 0.000 0.000 0.234 161 R C 2.114 178.182 176.300 -0.386 0.000 1.127 161 R CA 1.077 56.848 56.100 -0.548 0.000 0.989 161 R CB -0.385 29.192 30.300 -1.205 0.000 0.869 161 R HN 0.244 nan 8.270 nan 0.000 0.459 162 I N 0.894 121.325 120.570 -0.232 0.000 2.423 162 I HA -0.241 3.929 4.170 0.000 0.000 0.254 162 I C 1.644 177.790 176.117 0.049 0.000 1.151 162 I CA 1.313 62.608 61.300 -0.008 0.000 1.421 162 I CB 0.034 37.856 38.000 -0.297 0.000 1.079 162 I HN 0.112 nan 8.210 nan 0.000 0.431 163 I N 0.090 120.666 120.570 0.010 0.000 2.142 163 I HA -0.317 3.853 4.170 0.000 0.000 0.240 163 I C 2.465 178.663 176.117 0.135 0.000 1.078 163 I CA 1.519 62.870 61.300 0.086 0.000 1.343 163 I CB -0.551 37.485 38.000 0.060 0.000 1.046 163 I HN 0.120 nan 8.210 nan 0.000 0.405 164 K N 1.233 121.682 120.400 0.082 0.000 2.057 164 K HA -0.205 4.115 4.320 0.000 0.000 0.207 164 K C 1.645 178.321 176.600 0.127 0.000 1.049 164 K CA 1.809 58.146 56.287 0.083 0.000 0.931 164 K CB -0.358 32.169 32.500 0.045 0.000 0.714 164 K HN 0.255 nan 8.250 nan 0.000 0.440 165 D N -0.873 119.650 120.400 0.205 0.000 2.117 165 D HA -0.172 4.468 4.640 0.000 0.000 0.198 165 D C 1.799 178.290 176.300 0.318 0.000 0.982 165 D CA 1.084 55.282 54.000 0.330 0.000 0.828 165 D CB -0.374 40.714 40.800 0.481 0.000 0.967 165 D HN 0.292 nan 8.370 nan 0.000 0.464 166 Y N 2.005 122.393 120.300 0.147 0.000 2.128 166 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 166 Y C 2.553 178.309 175.900 -0.239 0.000 1.154 166 Y CA 2.604 60.550 58.100 -0.257 0.000 1.149 166 Y CB -0.540 37.855 38.460 -0.109 0.000 0.976 166 Y HN 0.036 nan 8.280 nan 0.000 0.505 167 T N -2.705 111.833 114.554 -0.026 0.000 2.867 167 T HA -0.154 4.196 4.350 0.000 0.000 0.268 167 T C 1.545 176.100 174.700 -0.242 0.000 1.057 167 T CA 1.440 63.457 62.100 -0.138 0.000 1.136 167 T CB -0.474 68.416 68.868 0.037 0.000 0.874 167 T HN 0.289 nan 8.240 nan 0.000 0.466 168 D N 0.628 120.950 120.400 -0.130 0.000 2.117 168 D HA -0.010 4.630 4.640 0.000 0.000 0.197 168 D C 1.580 177.762 176.300 -0.197 0.000 0.987 168 D CA 0.682 54.616 54.000 -0.110 0.000 0.829 168 D CB -0.540 40.265 40.800 0.008 0.000 0.961 168 D HN 0.410 nan 8.370 nan 0.000 0.460 169 F N 1.971 121.634 119.950 -0.478 0.000 2.095 169 F HA -0.155 4.372 4.527 0.000 0.000 0.298 169 F C 2.139 177.476 175.800 -0.772 0.000 1.104 169 F CA 1.560 59.165 58.000 -0.659 0.000 1.232 169 F CB -0.714 37.544 39.000 -1.237 0.000 0.987 169 F HN -0.056 nan 8.300 nan 0.000 0.475 170 A N 0.387 122.441 122.820 -1.276 0.000 1.933 170 A HA -0.238 4.082 4.320 0.000 0.000 0.218 170 A C 2.372 179.030 177.584 -1.543 0.000 1.175 170 A CA 1.865 52.930 52.037 -1.620 0.000 0.628 170 A CB -0.934 17.199 19.000 -1.444 0.000 0.814 170 A HN 0.523 nan 8.150 nan 0.000 0.444 171 K N -0.230 119.659 120.400 -0.852 0.000 2.063 171 K HA -0.113 4.207 4.320 0.000 0.000 0.208 171 K C 1.762 178.092 176.600 -0.450 0.000 1.048 171 K CA 1.711 57.708 56.287 -0.483 0.000 0.928 171 K CB -0.279 32.098 32.500 -0.204 0.000 0.713 171 K HN 0.226 nan 8.250 nan 0.000 0.442 172 V N 0.885 120.547 119.914 -0.419 0.000 2.295 172 V HA -0.320 3.800 4.120 0.000 0.000 0.246 172 V C 2.542 178.372 176.094 -0.441 0.000 1.049 172 V CA 1.767 63.880 62.300 -0.311 0.000 1.024 172 V CB -0.491 31.238 31.823 -0.156 0.000 0.648 172 V HN 0.534 nan 8.190 nan 0.000 0.447 173 C N -0.216 118.726 119.300 -0.597 0.000 2.413 173 C HA -0.175 4.285 4.460 0.000 0.000 0.276 173 C C 2.540 177.300 174.990 -0.382 0.000 1.236 173 C CA 0.904 59.645 59.018 -0.461 0.000 1.735 173 C CB -1.301 26.049 27.740 -0.650 0.000 2.031 173 C HN 0.542 nan 8.230 nan 0.000 0.474 174 F N 1.358 120.899 119.950 -0.683 0.000 2.146 174 F HA -0.074 4.453 4.527 0.000 0.000 0.298 174 F C 2.430 177.906 175.800 -0.540 0.000 1.096 174 F CA 1.046 58.572 58.000 -0.789 0.000 1.275 174 F CB -1.355 36.894 39.000 -1.252 0.000 1.008 174 F HN 0.392 nan 8.300 nan 0.000 0.480 175 E N 0.258 120.293 120.200 -0.274 0.000 2.051 175 E HA -0.178 4.172 4.350 0.000 0.000 0.192 175 E C 2.108 178.610 176.600 -0.162 0.000 0.991 175 E CA 1.024 57.341 56.400 -0.139 0.000 0.799 175 E CB -0.180 29.448 29.700 -0.121 0.000 0.748 175 E HN 0.278 nan 8.360 nan 0.000 0.449 176 K N 0.029 120.213 120.400 -0.361 0.000 2.116 176 K HA -0.015 4.305 4.320 0.000 0.000 0.203 176 K C 1.736 178.124 176.600 -0.353 0.000 1.052 176 K CA 0.924 56.894 56.287 -0.529 0.000 0.952 176 K CB -0.058 31.805 32.500 -1.061 0.000 0.729 176 K HN 0.150 nan 8.250 nan 0.000 0.446 177 F N -0.900 119.151 119.950 0.168 0.000 2.746 177 F HA 0.295 4.822 4.527 -0.000 0.000 0.313 177 F C 1.962 177.948 175.800 0.310 0.000 1.095 177 F CA -0.256 57.885 58.000 0.235 0.000 1.224 177 F CB -0.704 38.472 39.000 0.294 0.000 1.060 177 F HN -0.026 nan 8.300 nan 0.000 0.584 178 G N 0.210 109.278 108.800 0.447 0.000 2.471 178 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 178 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 178 G C 1.760 176.836 174.900 0.294 0.000 1.125 178 G CA 0.806 46.178 45.100 0.454 0.000 0.775 178 G HN 0.157 nan 8.290 nan 0.000 0.548 179 K N 0.314 120.840 120.400 0.210 0.000 2.148 179 K HA 0.028 4.348 4.320 0.000 0.000 0.204 179 K C 2.203 178.885 176.600 0.137 0.000 1.050 179 K CA 1.565 57.941 56.287 0.147 0.000 0.942 179 K CB -0.402 32.165 32.500 0.112 0.000 0.724 179 K HN 0.197 nan 8.250 nan 0.000 0.446 180 T N -0.787 113.865 114.554 0.163 0.000 3.015 180 T HA 0.214 4.564 4.350 0.000 0.000 0.250 180 T C -0.393 174.351 174.700 0.075 0.000 1.057 180 T CA 0.051 62.222 62.100 0.118 0.000 1.066 180 T CB 0.521 69.470 68.868 0.135 0.000 0.959 180 T HN -0.158 nan 8.240 nan 0.000 0.488 181 V N 2.365 122.336 119.914 0.096 0.000 2.409 181 V HA 0.389 4.509 4.120 0.000 0.000 0.291 181 V C 0.160 176.232 176.094 -0.037 0.000 1.020 181 V CA -0.677 61.558 62.300 -0.109 0.000 0.848 181 V CB 1.779 33.373 31.823 -0.381 0.000 0.990 181 V HN 0.194 nan 8.190 nan 0.000 0.430 182 K N 2.790 123.094 120.400 -0.159 0.000 2.438 182 K HA 0.358 4.678 4.320 0.000 0.000 0.205 182 K C -0.134 176.349 176.600 -0.195 0.000 1.033 182 K CA -0.132 56.140 56.287 -0.026 0.000 1.089 182 K CB 0.452 32.949 32.500 -0.006 0.000 0.857 182 K HN 0.522 nan 8.250 nan 0.000 0.522 183 N N 0.443 118.778 118.700 -0.609 0.000 2.519 183 N HA 0.194 4.934 4.740 0.000 0.000 0.286 183 N C -1.665 173.312 175.510 -0.888 0.000 1.079 183 N CA -0.329 52.246 53.050 -0.792 0.000 0.878 183 N CB 1.099 38.666 38.487 -1.533 0.000 1.375 183 N HN 0.010 nan 8.380 nan 0.000 0.514 184 W N 2.230 123.262 121.300 -0.447 0.000 2.819 184 W HA 0.590 5.250 4.660 0.000 0.000 0.337 184 W C -0.414 175.941 176.519 -0.274 0.000 1.077 184 W CA -0.608 56.518 57.345 -0.364 0.000 1.226 184 W CB 1.571 30.786 29.460 -0.409 0.000 1.419 184 W HN 0.144 nan 8.180 nan 0.000 0.502 185 L N 2.722 123.955 121.223 0.017 0.000 2.376 185 L HA 0.332 4.672 4.340 0.000 0.000 0.275 185 L C 1.307 178.197 176.870 0.033 0.000 0.987 185 L CA -0.547 54.302 54.840 0.015 0.000 0.828 185 L CB 1.999 44.022 42.059 -0.059 0.000 1.249 185 L HN 0.680 nan 8.230 nan 0.000 0.409 186 T N -0.384 114.222 114.554 0.087 0.000 2.737 186 T HA 0.021 4.371 4.350 0.000 0.000 0.265 186 T C 0.379 174.860 174.700 -0.365 0.000 1.038 186 T CA 1.161 63.238 62.100 -0.039 0.000 1.144 186 T CB -0.097 68.904 68.868 0.222 0.000 0.866 186 T HN 0.160 nan 8.240 nan 0.000 0.434 187 F N 1.086 121.102 119.950 0.110 0.000 2.578 187 F HA 0.548 5.075 4.527 -0.000 0.000 0.311 187 F C -0.327 175.425 175.800 -0.080 0.000 1.094 187 F CA -1.507 56.523 58.000 0.050 0.000 0.923 187 F CB 1.888 40.847 39.000 -0.067 0.000 1.230 187 F HN -0.001 nan 8.300 nan 0.000 0.450 188 N N 1.421 120.133 118.700 0.019 0.000 2.408 188 N HA 0.248 4.988 4.740 0.000 0.000 0.280 188 N C -0.999 174.448 175.510 -0.106 0.000 1.002 188 N CA -0.224 52.693 53.050 -0.222 0.000 0.907 188 N CB 0.731 38.773 38.487 -0.741 0.000 1.161 188 N HN 0.646 nan 8.380 nan 0.000 0.488 189 E N 1.744 121.878 120.200 -0.109 0.000 2.197 189 E HA -0.177 4.173 4.350 0.000 0.000 0.184 189 E C -1.706 174.828 176.600 -0.111 0.000 1.439 189 E CA 0.030 56.403 56.400 -0.044 0.000 0.688 189 E CB -0.576 29.204 29.700 0.133 0.000 1.090 189 E HN 0.667 nan 8.360 nan 0.000 0.341 190 P HA -0.228 nan 4.420 nan 0.000 0.218 190 P C 1.338 178.162 177.300 -0.793 0.000 1.148 190 P CA 1.139 63.757 63.100 -0.804 0.000 0.822 190 P CB 0.196 30.869 31.700 -1.711 0.000 0.784 191 E N -0.037 119.793 120.200 -0.616 0.000 2.051 191 E HA -0.123 4.228 4.350 0.000 0.000 0.192 191 E C 1.806 178.357 176.600 -0.082 0.000 0.991 191 E CA 1.601 57.933 56.400 -0.113 0.000 0.799 191 E CB -0.721 29.119 29.700 0.234 0.000 0.748 191 E HN 0.124 nan 8.360 nan 0.000 0.449 192 T N 1.113 115.605 114.554 -0.104 0.000 2.708 192 T HA -0.152 4.198 4.350 0.000 0.000 0.266 192 T C 1.539 175.986 174.700 -0.422 0.000 1.037 192 T CA 1.357 63.347 62.100 -0.184 0.000 1.146 192 T CB -0.568 68.236 68.868 -0.107 0.000 0.865 192 T HN 0.210 nan 8.240 nan 0.000 0.435 193 F N 1.545 121.084 119.950 -0.685 0.000 2.091 193 F HA -0.213 4.314 4.527 0.000 0.000 0.299 193 F C 2.391 177.907 175.800 -0.473 0.000 1.103 193 F CA 0.795 58.266 58.000 -0.882 0.000 1.228 193 F CB -0.852 37.718 39.000 -0.717 0.000 0.984 193 F HN 0.202 nan 8.300 nan 0.000 0.477 194 C N -0.825 118.221 119.300 -0.423 0.000 2.518 194 C HA -0.062 4.398 4.460 0.000 0.000 0.279 194 C C 3.001 177.884 174.990 -0.177 0.000 1.279 194 C CA 1.304 60.118 59.018 -0.341 0.000 1.703 194 C CB -1.219 26.350 27.740 -0.286 0.000 2.072 194 C HN 0.519 nan 8.230 nan 0.000 0.487 195 S N 0.753 116.394 115.700 -0.098 0.000 2.383 195 S HA -0.084 4.386 4.470 0.000 0.000 0.227 195 S C 1.736 176.226 174.600 -0.184 0.000 1.026 195 S CA 1.352 59.517 58.200 -0.059 0.000 0.981 195 S CB -0.147 63.071 63.200 0.030 0.000 0.818 195 S HN 0.491 nan 8.310 nan 0.000 0.472 196 V N 0.744 120.484 119.914 -0.290 0.000 3.125 196 V HA 0.099 4.219 4.120 0.000 0.000 0.249 196 V C 1.858 177.664 176.094 -0.482 0.000 1.113 196 V CA 0.939 63.029 62.300 -0.350 0.000 1.106 196 V CB -0.009 31.598 31.823 -0.360 0.000 0.768 196 V HN 0.356 nan 8.190 nan 0.000 0.468 197 S N -0.943 114.386 115.700 -0.618 0.000 2.458 197 S HA 0.065 4.535 4.470 0.000 0.000 0.223 197 S C 1.376 175.387 174.600 -0.981 0.000 1.019 197 S CA 0.771 58.448 58.200 -0.871 0.000 0.937 197 S CB -0.114 62.421 63.200 -1.108 0.000 0.788 197 S HN 0.677 nan 8.310 nan 0.000 0.511 198 Y N 0.250 120.257 120.300 -0.488 0.000 2.527 198 Y HA 0.419 4.969 4.550 0.000 0.000 0.247 198 Y C 1.950 177.684 175.900 -0.277 0.000 1.138 198 Y CA -0.224 57.654 58.100 -0.370 0.000 1.228 198 Y CB 0.309 38.559 38.460 -0.350 0.000 1.252 198 Y HN 0.274 nan 8.280 nan 0.000 0.531 199 G N -0.279 108.424 108.800 -0.162 0.000 2.797 199 G HA2 -0.070 3.890 3.960 0.000 0.000 0.211 199 G HA3 -0.070 3.890 3.960 0.000 0.000 0.211 199 G C 1.568 176.365 174.900 -0.171 0.000 1.236 199 G CA 0.844 45.859 45.100 -0.143 0.000 0.833 199 G HN 0.241 nan 8.290 nan 0.000 0.624 200 T N -1.693 112.746 114.554 -0.192 0.000 3.067 200 T HA 0.317 4.667 4.350 0.000 0.000 0.261 200 T C 1.956 176.516 174.700 -0.234 0.000 1.110 200 T CA 1.172 63.164 62.100 -0.181 0.000 1.113 200 T CB -0.096 68.678 68.868 -0.157 0.000 0.917 200 T HN 1.534 nan 8.240 nan 0.000 0.499 201 G N 0.710 109.315 108.800 -0.325 0.000 2.203 201 G HA2 -0.282 3.678 3.960 0.000 0.000 0.263 201 G HA3 -0.282 3.678 3.960 0.000 0.000 0.263 201 G C 0.828 175.471 174.900 -0.429 0.000 1.012 201 G CA 0.345 45.179 45.100 -0.443 0.000 0.749 201 G HN 0.554 nan 8.290 nan 0.000 0.512 202 V N -0.406 119.323 119.914 -0.309 0.000 2.453 202 V HA 0.121 4.241 4.120 0.000 0.000 0.247 202 V C 1.761 177.720 176.094 -0.225 0.000 1.048 202 V CA 1.767 63.971 62.300 -0.159 0.000 1.049 202 V CB -0.196 31.581 31.823 -0.076 0.000 0.672 202 V HN 0.456 nan 8.190 nan 0.000 0.457 203 L N -0.042 120.909 121.223 -0.453 0.000 2.334 203 L HA 0.654 4.994 4.340 0.000 0.000 0.275 203 L C 0.500 176.605 176.870 -1.275 0.000 1.036 203 L CA -0.672 53.810 54.840 -0.596 0.000 0.807 203 L CB 1.103 42.905 42.059 -0.428 0.000 1.231 203 L HN 0.123 nan 8.230 nan 0.000 0.438 204 A N 3.396 124.970 122.820 -2.076 0.000 2.565 204 A HA 0.163 4.483 4.320 0.000 0.000 0.237 204 A C -1.582 175.280 177.584 -1.204 0.000 1.053 204 A CA -0.580 50.214 52.037 -2.071 0.000 0.755 204 A CB -0.343 17.231 19.000 -2.377 0.000 0.980 204 A HN 0.640 nan 8.150 nan 0.000 0.506 205 P HA 0.119 nan 4.420 nan 0.000 0.249 205 P C 0.720 177.536 177.300 -0.806 0.000 1.229 205 P CA 0.962 63.590 63.100 -0.787 0.000 0.788 205 P CB 0.087 31.486 31.700 -0.501 0.000 1.072 206 G N 0.726 108.923 108.800 -1.006 0.000 2.248 206 G HA2 -0.236 3.724 3.960 0.000 0.000 0.252 206 G HA3 -0.236 3.724 3.960 0.000 0.000 0.252 206 G C -0.173 174.334 174.900 -0.656 0.000 1.085 206 G CA -0.528 44.074 45.100 -0.829 0.000 0.845 206 G HN 0.346 nan 8.290 nan 0.000 0.494 207 R N -0.691 119.432 120.500 -0.630 0.000 2.486 207 R HA 0.790 5.130 4.340 0.000 0.000 0.286 207 R C 0.652 176.751 176.300 -0.335 0.000 0.999 207 R CA 0.196 56.038 56.100 -0.431 0.000 0.993 207 R CB 1.358 31.454 30.300 -0.340 0.000 1.084 207 R HN 0.922 nan 8.270 nan 0.000 0.487 208 c N -1.542 116.913 118.600 -0.241 0.000 3.306 208 c HA 0.470 5.040 4.570 0.000 0.000 0.335 208 c C -0.119 173.895 174.090 -0.127 0.000 1.382 208 c CA -1.156 55.066 56.329 -0.179 0.000 1.254 208 c CB 1.270 43.662 42.510 -0.197 0.000 1.555 208 c HN 0.734 nan 8.230 nan 0.000 0.463 209 S N 2.428 118.069 115.700 -0.098 0.000 2.568 209 S HA 0.380 4.850 4.470 0.000 0.000 0.282 209 S C -2.437 172.122 174.600 -0.069 0.000 1.338 209 S CA 0.129 58.285 58.200 -0.074 0.000 1.045 209 S CB 0.013 63.175 63.200 -0.064 0.000 0.873 209 S HN 0.738 nan 8.310 nan 0.000 0.516 210 P HA 0.104 nan 4.420 nan 0.000 0.263 210 P C 0.948 178.226 177.300 -0.036 0.000 1.175 210 P CA 1.225 64.300 63.100 -0.041 0.000 0.761 210 P CB 0.105 31.787 31.700 -0.031 0.000 0.794 211 G N 0.948 109.732 108.800 -0.027 0.000 2.213 211 G HA2 -0.199 3.761 3.960 0.000 0.000 0.236 211 G HA3 -0.199 3.761 3.960 0.000 0.000 0.236 211 G C 0.023 174.910 174.900 -0.022 0.000 0.991 211 G CA -0.139 44.949 45.100 -0.020 0.000 0.629 211 G HN 0.539 nan 8.290 nan 0.000 0.517 212 V N 1.298 121.190 119.914 -0.037 0.000 2.539 212 V HA 0.681 4.801 4.120 0.000 0.000 0.292 212 V C 0.924 177.004 176.094 -0.024 0.000 1.045 212 V CA 0.246 62.521 62.300 -0.041 0.000 0.945 212 V CB 1.765 33.544 31.823 -0.073 0.000 0.993 212 V HN 0.454 nan 8.190 nan 0.000 0.464 213 S N 4.077 119.790 115.700 0.021 0.000 2.416 213 S HA 0.407 4.877 4.470 0.000 0.000 0.302 213 S C -0.275 174.368 174.600 0.071 0.000 1.120 213 S CA -0.415 57.858 58.200 0.122 0.000 1.067 213 S CB -0.817 62.492 63.200 0.183 0.000 1.057 213 S HN 1.049 nan 8.310 nan 0.000 0.518 214 c N 2.678 121.176 118.600 -0.171 0.000 3.318 214 c HA 0.854 5.424 4.570 0.000 0.000 0.322 214 c C 1.635 174.988 174.090 -1.229 0.000 1.398 214 c CA -0.260 55.591 56.329 -0.796 0.000 1.339 214 c CB 0.802 42.988 42.510 -0.540 0.000 1.668 214 c HN 0.714 nan 8.230 nan 0.000 0.462 215 A N 0.348 122.045 122.820 -1.872 0.000 1.940 215 A HA 0.185 4.505 4.320 0.000 0.000 0.219 215 A C 0.915 177.956 177.584 -0.905 0.000 1.176 215 A CA 2.233 53.275 52.037 -1.660 0.000 0.631 215 A CB -0.534 17.277 19.000 -1.981 0.000 0.814 215 A HN 1.475 nan 8.150 nan 0.000 0.446 216 V N 1.159 120.659 119.914 -0.690 0.000 2.320 216 V HA 0.217 4.337 4.120 0.000 0.000 0.257 216 V C -2.494 173.435 176.094 -0.276 0.000 0.996 216 V CA -0.883 61.180 62.300 -0.396 0.000 0.928 216 V CB 1.247 32.857 31.823 -0.355 0.000 1.169 216 V HN 0.309 nan 8.190 nan 0.000 0.475 217 P HA 0.117 nan 4.420 nan 0.000 0.226 217 P C 0.728 177.972 177.300 -0.093 0.000 1.758 217 P CA 0.224 63.237 63.100 -0.145 0.000 0.896 217 P CB -0.345 31.294 31.700 -0.102 0.000 1.784 218 T N -4.544 109.954 114.554 -0.094 0.000 3.252 218 T HA 0.427 4.777 4.350 0.000 0.000 0.286 218 T C 0.883 175.549 174.700 -0.056 0.000 1.013 218 T CA -0.289 61.776 62.100 -0.059 0.000 0.914 218 T CB 0.321 69.165 68.868 -0.040 0.000 1.131 218 T HN 0.067 nan 8.240 nan 0.000 0.529 219 G N 1.268 110.024 108.800 -0.073 0.000 3.075 219 G HA2 0.544 4.504 3.960 0.000 0.000 0.156 219 G HA3 0.544 4.504 3.960 0.000 0.000 0.156 219 G C -0.758 174.114 174.900 -0.045 0.000 1.403 219 G CA -0.663 44.406 45.100 -0.051 0.000 1.033 219 G HN 0.418 nan 8.290 nan 0.000 0.589 220 N N -1.238 117.439 118.700 -0.039 0.000 2.752 220 N HA 0.131 4.871 4.740 0.000 0.000 0.268 220 N C 0.316 175.805 175.510 -0.036 0.000 1.190 220 N CA -0.360 52.667 53.050 -0.038 0.000 0.897 220 N CB 1.522 39.992 38.487 -0.028 0.000 1.515 220 N HN 0.100 nan 8.380 nan 0.000 0.567 221 S N 2.111 117.779 115.700 -0.054 0.000 2.481 221 S HA -0.011 4.459 4.470 0.000 0.000 0.231 221 S C 1.508 176.080 174.600 -0.047 0.000 0.996 221 S CA 0.339 58.500 58.200 -0.064 0.000 0.942 221 S CB 0.182 63.330 63.200 -0.087 0.000 0.768 221 S HN 0.472 nan 8.310 nan 0.000 0.520 222 L N 1.155 122.364 121.223 -0.024 0.000 2.375 222 L HA 0.175 4.515 4.340 0.000 0.000 0.215 222 L C 2.244 179.179 176.870 0.109 0.000 1.108 222 L CA 1.141 55.992 54.840 0.019 0.000 0.830 222 L CB -0.569 41.477 42.059 -0.022 0.000 0.959 222 L HN 0.405 nan 8.230 nan 0.000 0.457 223 S N -2.874 112.862 115.700 0.060 0.000 2.641 223 S HA 0.067 4.537 4.470 0.000 0.000 0.239 223 S C 1.612 176.257 174.600 0.075 0.000 1.081 223 S CA -0.196 58.049 58.200 0.076 0.000 0.904 223 S CB -0.171 63.025 63.200 -0.007 0.000 0.803 223 S HN 0.299 nan 8.310 nan 0.000 0.510 224 E N 2.424 122.630 120.200 0.011 0.000 2.077 224 E HA -0.050 4.300 4.350 0.000 0.000 0.193 224 E C -0.819 175.714 176.600 -0.112 0.000 0.989 224 E CA 1.459 57.829 56.400 -0.050 0.000 0.800 224 E CB -1.132 28.559 29.700 -0.015 0.000 0.746 224 E HN 0.492 nan 8.360 nan 0.000 0.452 225 P HA -0.164 nan 4.420 nan 0.000 0.218 225 P C 0.707 178.019 177.300 0.020 0.000 1.148 225 P CA 1.221 64.273 63.100 -0.080 0.000 0.822 225 P CB -0.081 31.570 31.700 -0.082 0.000 0.784 226 Y N -1.336 119.025 120.300 0.103 0.000 2.263 226 Y HA -0.103 4.447 4.550 -0.000 0.000 0.292 226 Y C 2.251 178.174 175.900 0.038 0.000 1.130 226 Y CA 0.628 58.793 58.100 0.110 0.000 1.179 226 Y CB -0.914 37.477 38.460 -0.116 0.000 0.998 226 Y HN -0.121 nan 8.280 nan 0.000 0.532 227 I N -0.898 119.735 120.570 0.104 0.000 2.202 227 I HA -0.222 3.948 4.170 0.000 0.000 0.242 227 I C 2.289 178.423 176.117 0.028 0.000 1.091 227 I CA 1.105 62.427 61.300 0.037 0.000 1.368 227 I CB -1.343 36.641 38.000 -0.027 0.000 1.058 227 I HN 0.044 nan 8.210 nan 0.000 0.410 228 V N 1.278 121.123 119.914 -0.116 0.000 2.343 228 V HA -0.242 3.878 4.120 0.000 0.000 0.247 228 V C 2.801 178.882 176.094 -0.022 0.000 1.051 228 V CA 1.710 63.910 62.300 -0.166 0.000 1.036 228 V CB -1.161 30.283 31.823 -0.631 0.000 0.654 228 V HN 0.449 nan 8.190 nan 0.000 0.451 229 A N -0.660 122.159 122.820 -0.002 0.000 1.902 229 A HA -0.310 4.010 4.320 0.000 0.000 0.217 229 A C 2.101 179.798 177.584 0.188 0.000 1.181 229 A CA 2.395 54.466 52.037 0.058 0.000 0.623 229 A CB -0.841 18.076 19.000 -0.138 0.000 0.818 229 A HN 0.706 nan 8.150 nan 0.000 0.443 230 H N 0.192 119.351 119.070 0.148 0.000 2.326 230 H HA -0.066 4.490 4.556 0.000 0.000 0.301 230 H C 2.029 177.446 175.328 0.149 0.000 1.081 230 H CA 1.962 58.109 56.048 0.165 0.000 1.334 230 H CB -0.028 29.756 29.762 0.037 0.000 1.385 230 H HN 0.407 nan 8.280 nan 0.000 0.504 231 N N 0.263 119.067 118.700 0.174 0.000 2.166 231 N HA -0.141 4.599 4.740 0.000 0.000 0.186 231 N C 2.139 177.693 175.510 0.072 0.000 1.019 231 N CA 1.020 54.144 53.050 0.123 0.000 0.856 231 N CB -0.388 38.189 38.487 0.150 0.000 0.993 231 N HN 0.411 nan 8.380 nan 0.000 0.426 232 L N 0.587 121.821 121.223 0.018 0.000 2.056 232 L HA -0.062 4.278 4.340 0.000 0.000 0.207 232 L C 1.987 178.659 176.870 -0.330 0.000 1.078 232 L CA 1.001 55.630 54.840 -0.351 0.000 0.749 232 L CB -0.166 41.525 42.059 -0.613 0.000 0.901 232 L HN 0.077 nan 8.230 nan 0.000 0.433 233 L N -0.618 120.562 121.223 -0.072 0.000 2.093 233 L HA -0.160 4.180 4.340 0.000 0.000 0.208 233 L C 2.802 179.724 176.870 0.088 0.000 1.085 233 L CA 1.078 55.944 54.840 0.044 0.000 0.755 233 L CB -0.411 41.746 42.059 0.162 0.000 0.904 233 L HN 0.215 nan 8.230 nan 0.000 0.435 234 R N -0.157 120.402 120.500 0.097 0.000 2.081 234 R HA -0.140 4.200 4.340 0.000 0.000 0.235 234 R C 2.426 178.788 176.300 0.103 0.000 1.131 234 R CA 1.367 57.527 56.100 0.100 0.000 0.960 234 R CB -0.501 29.854 30.300 0.091 0.000 0.856 234 R HN 0.344 nan 8.270 nan 0.000 0.436 235 A N 0.372 123.251 122.820 0.099 0.000 1.930 235 A HA -0.228 4.092 4.320 0.000 0.000 0.217 235 A C 1.922 179.653 177.584 0.246 0.000 1.175 235 A CA 1.760 53.889 52.037 0.153 0.000 0.627 235 A CB -0.693 18.342 19.000 0.059 0.000 0.815 235 A HN 0.456 nan 8.150 nan 0.000 0.443 236 H N 0.120 119.309 119.070 0.198 0.000 2.290 236 H HA -0.029 4.527 4.556 0.000 0.000 0.298 236 H C 2.156 177.575 175.328 0.152 0.000 1.087 236 H CA 2.266 58.470 56.048 0.260 0.000 1.291 236 H CB -0.291 29.590 29.762 0.199 0.000 1.369 236 H HN 0.373 nan 8.280 nan 0.000 0.492 237 A N 0.271 123.135 122.820 0.073 0.000 1.908 237 A HA -0.198 4.122 4.320 0.000 0.000 0.218 237 A C 2.348 179.917 177.584 -0.025 0.000 1.181 237 A CA 1.943 53.970 52.037 -0.016 0.000 0.627 237 A CB -0.568 18.425 19.000 -0.012 0.000 0.818 237 A HN 0.541 nan 8.150 nan 0.000 0.445 238 E N -0.553 119.669 120.200 0.037 0.000 2.072 238 E HA -0.084 4.266 4.350 0.000 0.000 0.191 238 E C 2.140 178.782 176.600 0.071 0.000 0.985 238 E CA 1.750 58.185 56.400 0.059 0.000 0.801 238 E CB -0.535 29.219 29.700 0.091 0.000 0.750 238 E HN 0.540 nan 8.360 nan 0.000 0.452 239 T N -0.293 114.317 114.554 0.092 0.000 2.746 239 T HA -0.101 4.249 4.350 0.000 0.000 0.267 239 T C 1.881 176.640 174.700 0.098 0.000 1.039 239 T CA 1.282 63.459 62.100 0.128 0.000 1.142 239 T CB -0.259 68.724 68.868 0.191 0.000 0.866 239 T HN -0.010 nan 8.240 nan 0.000 0.444 240 V N 1.614 121.493 119.914 -0.059 0.000 2.407 240 V HA -0.168 3.952 4.120 0.000 0.000 0.248 240 V C 2.332 178.426 176.094 0.001 0.000 1.055 240 V CA 1.874 64.133 62.300 -0.068 0.000 1.049 240 V CB -0.598 31.101 31.823 -0.207 0.000 0.662 240 V HN 0.477 nan 8.190 nan 0.000 0.455 241 D N 0.097 120.491 120.400 -0.010 0.000 2.104 241 D HA -0.173 4.467 4.640 0.000 0.000 0.194 241 D C 1.971 178.262 176.300 -0.014 0.000 0.994 241 D CA 1.537 55.525 54.000 -0.020 0.000 0.830 241 D CB -0.146 40.647 40.800 -0.012 0.000 0.959 241 D HN 0.428 nan 8.370 nan 0.000 0.452 242 I N -0.471 120.147 120.570 0.081 0.000 2.226 242 I HA -0.258 3.912 4.170 0.000 0.000 0.245 242 I C 1.989 178.190 176.117 0.140 0.000 1.100 242 I CA 0.918 62.328 61.300 0.183 0.000 1.374 242 I CB -0.352 37.819 38.000 0.285 0.000 1.057 242 I HN 0.150 nan 8.210 nan 0.000 0.413 243 Y N 1.921 122.188 120.300 -0.054 0.000 2.128 243 Y HA -0.294 4.256 4.550 0.000 0.000 0.284 243 Y C 2.243 177.993 175.900 -0.250 0.000 1.154 243 Y CA 2.017 59.921 58.100 -0.327 0.000 1.149 243 Y CB -0.590 37.516 38.460 -0.590 0.000 0.976 243 Y HN 0.206 nan 8.280 nan 0.000 0.505 244 N N -0.377 118.223 118.700 -0.167 0.000 2.120 244 N HA -0.181 4.559 4.740 0.000 0.000 0.188 244 N C 1.679 176.980 175.510 -0.349 0.000 1.024 244 N CA 1.358 54.269 53.050 -0.231 0.000 0.852 244 N CB -0.143 38.267 38.487 -0.129 0.000 1.003 244 N HN 0.352 nan 8.380 nan 0.000 0.424 245 K N -0.281 119.866 120.400 -0.422 0.000 2.103 245 K HA -0.069 4.251 4.320 0.000 0.000 0.204 245 K C 0.737 176.816 176.600 -0.869 0.000 1.052 245 K CA 1.118 56.981 56.287 -0.707 0.000 0.945 245 K CB 0.129 32.041 32.500 -0.980 0.000 0.722 245 K HN 0.346 nan 8.250 nan 0.000 0.443 246 Y N -2.445 117.607 120.300 -0.414 0.000 2.432 246 Y HA 0.164 4.714 4.550 0.000 0.000 0.252 246 Y C 1.053 176.436 175.900 -0.862 0.000 1.097 246 Y CA -0.060 57.661 58.100 -0.632 0.000 1.250 246 Y CB 0.751 38.756 38.460 -0.759 0.000 1.245 246 Y HN 0.094 nan 8.280 nan 0.000 0.522 247 H N -1.878 116.935 119.070 -0.427 0.000 3.583 247 H HA 0.149 4.705 4.556 0.000 0.000 0.251 247 H C 1.774 176.614 175.328 -0.814 0.000 1.060 247 H CA -0.019 55.672 56.048 -0.594 0.000 1.159 247 H CB 0.565 29.880 29.762 -0.744 0.000 1.496 247 H HN -0.046 nan 8.280 nan 0.000 0.540 248 K N 1.569 121.416 120.400 -0.923 0.000 2.057 248 K HA -0.051 4.269 4.320 0.000 0.000 0.207 248 K C 1.275 177.715 176.600 -0.267 0.000 1.049 248 K CA 1.304 57.176 56.287 -0.693 0.000 0.931 248 K CB -0.238 31.988 32.500 -0.457 0.000 0.714 248 K HN 0.351 nan 8.250 nan 0.000 0.440 249 G N -0.404 108.259 108.800 -0.228 0.000 2.614 249 G HA2 -0.414 3.546 3.960 0.000 0.000 0.303 249 G HA3 -0.414 3.546 3.960 0.000 0.000 0.303 249 G C 0.817 175.670 174.900 -0.079 0.000 1.270 249 G CA 0.821 45.846 45.100 -0.125 0.000 0.988 249 G HN 0.587 nan 8.290 nan 0.000 0.551 250 A N -0.707 122.088 122.820 -0.042 0.000 2.081 250 A HA 0.397 4.718 4.320 0.000 0.000 0.214 250 A C 1.688 179.273 177.584 0.001 0.000 1.158 250 A CA 2.077 54.102 52.037 -0.020 0.000 0.724 250 A CB -0.048 18.946 19.000 -0.010 0.000 0.826 250 A HN 1.113 nan 8.150 nan 0.000 0.463 251 D N -1.884 118.523 120.400 0.012 0.000 2.510 251 D HA 0.184 4.824 4.640 0.000 0.000 0.234 251 D C 0.907 177.245 176.300 0.062 0.000 1.178 251 D CA 0.457 54.479 54.000 0.036 0.000 0.816 251 D CB -0.899 39.922 40.800 0.036 0.000 1.143 251 D HN 0.206 nan 8.370 nan 0.000 0.526 252 G N 0.214 109.065 108.800 0.084 0.000 2.527 252 G HA2 0.536 4.496 3.960 0.000 0.000 0.248 252 G HA3 0.536 4.496 3.960 0.000 0.000 0.248 252 G C -0.276 174.772 174.900 0.247 0.000 1.231 252 G CA -0.549 44.680 45.100 0.215 0.000 0.838 252 G HN 0.042 nan 8.290 nan 0.000 0.570 253 R N -0.099 120.533 120.500 0.221 0.000 2.698 253 R HA 0.590 4.930 4.340 0.000 0.000 0.275 253 R C -1.361 174.920 176.300 -0.032 0.000 1.001 253 R CA -0.779 55.392 56.100 0.118 0.000 0.896 253 R CB 2.637 32.970 30.300 0.055 0.000 1.218 253 R HN 0.507 nan 8.270 nan 0.000 0.462 254 I N 0.729 121.270 120.570 -0.048 0.000 2.722 254 I HA 0.725 4.896 4.170 0.000 0.000 0.295 254 I C -0.719 175.435 176.117 0.062 0.000 1.161 254 I CA -0.237 60.985 61.300 -0.130 0.000 1.032 254 I CB 2.189 39.929 38.000 -0.433 0.000 1.244 254 I HN 0.788 nan 8.210 nan 0.000 0.421 255 G N 6.226 115.095 108.800 0.115 0.000 2.772 255 G HA2 0.662 4.622 3.960 0.000 0.000 0.284 255 G HA3 0.662 4.622 3.960 0.000 0.000 0.284 255 G C -1.713 173.322 174.900 0.225 0.000 1.217 255 G CA -0.528 44.711 45.100 0.231 0.000 0.831 255 G HN 0.861 nan 8.290 nan 0.000 0.523 256 L N -3.275 118.030 121.223 0.138 0.000 2.568 256 L HA 0.959 5.299 4.340 0.000 0.000 0.257 256 L C -0.834 176.039 176.870 0.005 0.000 1.024 256 L CA -1.340 53.543 54.840 0.073 0.000 0.854 256 L CB 1.977 44.053 42.059 0.029 0.000 1.460 256 L HN 1.040 nan 8.230 nan 0.000 0.409 257 A N 2.407 125.210 122.820 -0.028 0.000 2.273 257 A HA 0.784 5.104 4.320 0.000 0.000 0.315 257 A C -0.804 176.733 177.584 -0.077 0.000 1.256 257 A CA -0.480 51.526 52.037 -0.051 0.000 0.851 257 A CB 0.753 19.702 19.000 -0.084 0.000 1.172 257 A HN 0.660 nan 8.150 nan 0.000 0.508 258 L N 3.888 125.078 121.223 -0.055 0.000 2.307 258 L HA 0.366 4.706 4.340 0.000 0.000 0.284 258 L C 0.084 176.942 176.870 -0.020 0.000 1.023 258 L CA -0.980 53.825 54.840 -0.059 0.000 0.810 258 L CB 1.487 43.530 42.059 -0.026 0.000 1.231 258 L HN 0.863 nan 8.230 nan 0.000 0.423 259 N N 2.955 121.636 118.700 -0.032 0.000 2.520 259 N HA 0.271 5.011 4.740 0.000 0.000 0.273 259 N C -0.993 174.512 175.510 -0.009 0.000 1.155 259 N CA -0.365 52.664 53.050 -0.035 0.000 0.967 259 N CB 2.120 40.555 38.487 -0.088 0.000 1.092 259 N HN 0.262 nan 8.380 nan 0.000 0.457 260 V N 2.266 122.185 119.914 0.007 0.000 2.488 260 V HA 0.323 4.443 4.120 0.000 0.000 0.293 260 V C -0.581 175.595 176.094 0.137 0.000 1.027 260 V CA -0.795 61.581 62.300 0.125 0.000 0.862 260 V CB 0.442 32.386 31.823 0.202 0.000 1.008 260 V HN 0.489 nan 8.190 nan 0.000 0.428 261 F N 2.368 122.486 119.950 0.280 0.000 2.443 261 F HA 0.550 5.077 4.527 0.000 0.000 0.353 261 F C 1.433 177.435 175.800 0.336 0.000 1.101 261 F CA 0.268 58.446 58.000 0.296 0.000 1.226 261 F CB 0.876 40.007 39.000 0.218 0.000 1.140 261 F HN 0.601 nan 8.300 nan 0.000 0.557 262 G N 3.285 112.456 108.800 0.619 0.000 2.441 262 G HA2 0.405 4.365 3.960 0.000 0.000 0.243 262 G HA3 0.405 4.365 3.960 0.000 0.000 0.243 262 G C -0.432 174.664 174.900 0.326 0.000 1.281 262 G CA -0.769 44.611 45.100 0.468 0.000 0.854 262 G HN 0.440 nan 8.290 nan 0.000 0.560 263 R N 1.039 121.686 120.500 0.244 0.000 2.513 263 R HA 0.433 4.773 4.340 0.000 0.000 0.301 263 R C -1.236 175.152 176.300 0.146 0.000 0.968 263 R CA -0.744 55.459 56.100 0.171 0.000 0.872 263 R CB 1.925 32.336 30.300 0.186 0.000 1.177 263 R HN 0.300 nan 8.270 nan 0.000 0.444 264 V N 4.703 124.671 119.914 0.090 0.000 2.448 264 V HA 0.355 4.475 4.120 0.000 0.000 0.295 264 V C -2.177 174.080 176.094 0.273 0.000 1.025 264 V CA -2.373 60.008 62.300 0.135 0.000 0.859 264 V CB 2.180 33.980 31.823 -0.039 0.000 0.988 264 V HN 0.519 nan 8.190 nan 0.000 0.431 265 P HA -0.002 nan 4.420 nan 0.000 0.264 265 P C 0.193 177.696 177.300 0.338 0.000 1.193 265 P CA 0.249 63.506 63.100 0.262 0.000 0.763 265 P CB 0.333 32.144 31.700 0.186 0.000 0.810 266 Y N 3.773 124.185 120.300 0.186 0.000 2.165 266 Y HA -0.192 4.358 4.550 0.000 0.000 0.286 266 Y C 1.071 176.943 175.900 -0.047 0.000 1.155 266 Y CA 2.116 60.249 58.100 0.055 0.000 1.164 266 Y CB -0.058 38.414 38.460 0.021 0.000 0.978 266 Y HN 0.384 nan 8.280 nan 0.000 0.513 267 T N -2.894 111.698 114.554 0.063 0.000 2.887 267 T HA 0.342 4.692 4.350 0.000 0.000 0.292 267 T C -0.452 174.271 174.700 0.039 0.000 1.087 267 T CA -0.897 61.188 62.100 -0.025 0.000 1.009 267 T CB 1.284 70.138 68.868 -0.023 0.000 1.203 267 T HN 0.227 nan 8.240 nan 0.000 0.518 268 N N 0.489 119.204 118.700 0.026 0.000 3.052 268 N HA 0.290 5.030 4.740 0.000 0.000 0.302 268 N C -0.670 174.867 175.510 0.045 0.000 1.332 268 N CA -0.226 52.856 53.050 0.053 0.000 1.129 268 N CB 0.390 38.910 38.487 0.055 0.000 1.436 268 N HN 0.457 nan 8.380 nan 0.000 0.536 269 T N -0.250 114.315 114.554 0.019 0.000 2.885 269 T HA 0.180 4.530 4.350 0.000 0.000 0.285 269 T C 1.127 175.802 174.700 -0.042 0.000 1.019 269 T CA -0.787 61.288 62.100 -0.043 0.000 1.010 269 T CB 0.670 69.457 68.868 -0.136 0.000 1.022 269 T HN 0.306 nan 8.240 nan 0.000 0.466 270 F N 2.313 122.269 119.950 0.009 0.000 2.161 270 F HA -0.022 4.505 4.527 0.000 0.000 0.300 270 F C 1.663 177.457 175.800 -0.011 0.000 1.089 270 F CA 1.192 59.194 58.000 0.005 0.000 1.282 270 F CB -0.930 38.066 39.000 -0.006 0.000 1.010 270 F HN 0.402 nan 8.300 nan 0.000 0.485 271 L N 0.445 121.321 121.223 -0.577 0.000 2.046 271 L HA -0.165 4.175 4.340 0.000 0.000 0.208 271 L C 2.135 178.948 176.870 -0.094 0.000 1.077 271 L CA 1.486 56.075 54.840 -0.417 0.000 0.747 271 L CB -0.754 40.854 42.059 -0.752 0.000 0.896 271 L HN 0.130 nan 8.230 nan 0.000 0.432 272 D N -0.684 119.691 120.400 -0.041 0.000 2.234 272 D HA -0.125 4.515 4.640 0.000 0.000 0.205 272 D C 2.282 178.663 176.300 0.134 0.000 0.962 272 D CA 0.726 54.789 54.000 0.104 0.000 0.855 272 D CB 0.014 40.899 40.800 0.142 0.000 0.951 272 D HN 0.376 nan 8.370 nan 0.000 0.500 273 Q N 0.394 120.262 119.800 0.114 0.000 2.084 273 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 273 Q C 2.157 178.245 176.000 0.147 0.000 0.978 273 Q CA 1.072 56.957 55.803 0.137 0.000 0.844 273 Q CB -0.032 28.789 28.738 0.137 0.000 0.898 273 Q HN 0.374 nan 8.270 nan 0.000 0.426 274 Q N -0.071 119.822 119.800 0.155 0.000 2.124 274 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 274 Q C 2.101 178.206 176.000 0.176 0.000 0.977 274 Q CA 1.255 57.157 55.803 0.166 0.000 0.850 274 Q CB -0.168 28.681 28.738 0.185 0.000 0.901 274 Q HN 0.380 nan 8.270 nan 0.000 0.429 275 A N 0.866 123.802 122.820 0.193 0.000 1.930 275 A HA -0.228 4.092 4.320 0.000 0.000 0.217 275 A C 2.075 179.754 177.584 0.158 0.000 1.175 275 A CA 1.291 53.440 52.037 0.186 0.000 0.627 275 A CB -0.492 18.627 19.000 0.197 0.000 0.815 275 A HN 0.286 nan 8.150 nan 0.000 0.443 276 Q N -0.287 119.610 119.800 0.163 0.000 2.084 276 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 276 Q C 1.776 177.868 176.000 0.155 0.000 0.978 276 Q CA 1.677 57.576 55.803 0.161 0.000 0.844 276 Q CB -0.214 28.625 28.738 0.168 0.000 0.898 276 Q HN 0.684 nan 8.270 nan 0.000 0.426 277 E N 0.393 120.682 120.200 0.150 0.000 2.051 277 E HA -0.157 4.193 4.350 0.000 0.000 0.192 277 E C 2.131 178.821 176.600 0.149 0.000 0.991 277 E CA 0.815 57.302 56.400 0.146 0.000 0.799 277 E CB -0.167 29.613 29.700 0.133 0.000 0.748 277 E HN 0.384 nan 8.360 nan 0.000 0.449 278 R N 0.490 121.077 120.500 0.144 0.000 2.105 278 R HA -0.065 4.275 4.340 0.000 0.000 0.239 278 R C 2.515 178.885 176.300 0.118 0.000 1.135 278 R CA 1.327 57.507 56.100 0.132 0.000 0.967 278 R CB -0.185 30.195 30.300 0.133 0.000 0.861 278 R HN 0.015 nan 8.270 nan 0.000 0.442 279 S N 0.427 116.201 115.700 0.123 0.000 2.371 279 S HA -0.034 4.436 4.470 0.000 0.000 0.224 279 S C 1.955 176.649 174.600 0.156 0.000 1.029 279 S CA 0.891 59.160 58.200 0.116 0.000 0.978 279 S CB 0.004 63.271 63.200 0.111 0.000 0.833 279 S HN 0.171 nan 8.310 nan 0.000 0.466 280 M N 1.827 121.533 119.600 0.178 0.000 2.117 280 M HA -0.106 4.374 4.480 0.000 0.000 0.262 280 M C 1.516 177.945 176.300 0.216 0.000 1.065 280 M CA 1.334 56.761 55.300 0.212 0.000 1.114 280 M CB -1.497 31.231 32.600 0.213 0.000 1.361 280 M HN 0.168 nan 8.290 nan 0.000 0.408 281 D N 0.329 120.845 120.400 0.193 0.000 2.123 281 D HA -0.176 4.465 4.640 0.000 0.000 0.196 281 D C 1.937 178.338 176.300 0.168 0.000 0.992 281 D CA 1.319 55.434 54.000 0.191 0.000 0.833 281 D CB -0.211 40.686 40.800 0.162 0.000 0.954 281 D HN 0.192 nan 8.370 nan 0.000 0.455 282 K N -0.108 120.365 120.400 0.121 0.000 2.432 282 K HA 0.018 4.338 4.320 0.000 0.000 0.196 282 K C 1.656 178.393 176.600 0.228 0.000 1.038 282 K CA 0.423 56.741 56.287 0.051 0.000 0.986 282 K CB -0.326 32.146 32.500 -0.048 0.000 0.782 282 K HN 0.179 nan 8.250 nan 0.000 0.485 283 C N -1.225 118.249 119.300 0.290 0.000 2.742 283 C HA 0.282 4.742 4.460 0.000 0.000 0.284 283 C C 2.138 177.358 174.990 0.384 0.000 1.481 283 C CA 0.003 59.253 59.018 0.386 0.000 1.809 283 C CB -0.885 27.084 27.740 0.381 0.000 1.991 283 C HN 0.550 nan 8.230 nan 0.000 0.660 284 L N 1.873 123.272 121.223 0.293 0.000 2.068 284 L HA 0.306 4.646 4.340 0.000 0.000 0.204 284 L C 2.345 179.330 176.870 0.190 0.000 1.076 284 L CA 2.773 57.745 54.840 0.220 0.000 0.753 284 L CB -1.284 40.882 42.059 0.177 0.000 0.910 284 L HN 0.450 nan 8.230 nan 0.000 0.439 285 G N -1.185 107.743 108.800 0.213 0.000 2.432 285 G HA2 -0.331 3.629 3.960 0.000 0.000 0.219 285 G HA3 -0.331 3.629 3.960 0.000 0.000 0.219 285 G C 1.343 176.381 174.900 0.231 0.000 1.135 285 G CA 0.626 45.840 45.100 0.190 0.000 0.767 285 G HN 0.569 nan 8.290 nan 0.000 0.550 286 W N 1.156 122.459 121.300 0.005 0.000 2.325 286 W HA -0.035 4.625 4.660 -0.000 0.000 0.299 286 W C 1.692 177.960 176.519 -0.419 0.000 1.215 286 W CA 1.046 58.282 57.345 -0.182 0.000 1.244 286 W CB -0.558 28.689 29.460 -0.355 0.000 1.140 286 W HN 0.243 nan 8.180 nan 0.000 0.523 287 F N -1.746 118.309 119.950 0.174 0.000 2.602 287 F HA 0.069 4.596 4.527 -0.000 0.000 0.284 287 F C 1.938 177.676 175.800 -0.103 0.000 1.111 287 F CA 0.344 58.315 58.000 -0.050 0.000 1.405 287 F CB -1.216 37.671 39.000 -0.189 0.000 1.121 287 F HN -0.258 nan 8.300 nan 0.000 0.603 288 L N 0.499 121.734 121.223 0.019 0.000 2.095 288 L HA -0.021 4.319 4.340 0.000 0.000 0.204 288 L C 2.068 178.833 176.870 -0.175 0.000 1.080 288 L CA 1.887 56.619 54.840 -0.180 0.000 0.759 288 L CB -0.584 41.255 42.059 -0.367 0.000 0.914 288 L HN 0.061 nan 8.230 nan 0.000 0.439 289 E N -0.325 119.835 120.200 -0.067 0.000 2.106 289 E HA -0.168 4.182 4.350 0.000 0.000 0.192 289 E C -0.472 176.125 176.600 -0.005 0.000 0.984 289 E CA 1.225 57.641 56.400 0.026 0.000 0.806 289 E CB -0.947 28.847 29.700 0.158 0.000 0.750 289 E HN 0.456 nan 8.360 nan 0.000 0.458 290 P HA -0.193 nan 4.420 nan 0.000 0.215 290 P C 1.746 178.960 177.300 -0.143 0.000 1.157 290 P CA 1.617 64.597 63.100 -0.199 0.000 0.874 290 P CB -0.088 31.436 31.700 -0.293 0.000 0.790 291 V N -4.033 115.833 119.914 -0.079 0.000 2.871 291 V HA -0.065 4.055 4.120 0.000 0.000 0.256 291 V C 1.906 178.116 176.094 0.194 0.000 1.082 291 V CA 1.373 63.699 62.300 0.044 0.000 1.105 291 V CB -1.240 30.608 31.823 0.042 0.000 0.713 291 V HN -0.071 nan 8.190 nan 0.000 0.473 292 V N 1.647 121.623 119.914 0.103 0.000 2.500 292 V HA 0.052 4.172 4.120 0.000 0.000 0.243 292 V C 2.626 178.820 176.094 0.166 0.000 1.039 292 V CA 2.223 64.646 62.300 0.206 0.000 1.053 292 V CB -0.286 31.610 31.823 0.120 0.000 0.695 292 V HN 0.803 nan 8.190 nan 0.000 0.463 293 R N -0.762 119.798 120.500 0.101 0.000 2.544 293 R HA 0.409 4.749 4.340 0.000 0.000 0.303 293 R C 1.305 177.630 176.300 0.041 0.000 0.939 293 R CA 0.864 57.017 56.100 0.089 0.000 1.102 293 R CB 0.805 31.177 30.300 0.120 0.000 1.440 293 R HN 0.326 nan 8.270 nan 0.000 0.532 294 G N 0.478 109.264 108.800 -0.023 0.000 2.176 294 G HA2 -0.245 3.715 3.960 0.000 0.000 0.232 294 G HA3 -0.245 3.715 3.960 0.000 0.000 0.232 294 G C -0.522 174.326 174.900 -0.087 0.000 0.986 294 G CA 0.291 45.330 45.100 -0.102 0.000 0.643 294 G HN 0.508 nan 8.290 nan 0.000 0.522 295 D N -1.723 118.667 120.400 -0.015 0.000 2.615 295 D HA 0.581 5.221 4.640 0.000 0.000 0.267 295 D C -0.178 176.143 176.300 0.036 0.000 1.236 295 D CA -0.667 53.367 54.000 0.056 0.000 0.839 295 D CB 0.692 41.601 40.800 0.181 0.000 1.380 295 D HN -0.007 nan 8.370 nan 0.000 0.433 296 Y N 0.261 120.690 120.300 0.216 0.000 2.330 296 Y HA 0.314 4.864 4.550 0.000 0.000 0.341 296 Y C -1.470 174.506 175.900 0.126 0.000 1.278 296 Y CA -1.294 56.898 58.100 0.154 0.000 1.453 296 Y CB -0.225 38.289 38.460 0.090 0.000 1.342 296 Y HN 0.142 nan 8.280 nan 0.000 0.590 297 P HA -0.063 nan 4.420 nan 0.000 0.268 297 P C 0.450 177.879 177.300 0.216 0.000 1.205 297 P CA 0.177 63.426 63.100 0.249 0.000 0.771 297 P CB 0.341 32.173 31.700 0.221 0.000 0.858 298 F N 3.188 123.203 119.950 0.109 0.000 2.091 298 F HA -0.304 4.223 4.527 0.000 0.000 0.299 298 F C 2.278 178.106 175.800 0.047 0.000 1.103 298 F CA 2.601 60.647 58.000 0.077 0.000 1.228 298 F CB -0.587 38.455 39.000 0.070 0.000 0.984 298 F HN 0.341 nan 8.300 nan 0.000 0.477 299 S N 0.242 116.087 115.700 0.241 0.000 2.383 299 S HA -0.288 4.182 4.470 0.000 0.000 0.229 299 S C 2.021 176.593 174.600 -0.047 0.000 1.030 299 S CA 1.595 59.870 58.200 0.125 0.000 1.002 299 S CB -0.796 62.503 63.200 0.165 0.000 0.829 299 S HN 0.562 nan 8.310 nan 0.000 0.467 300 M N 0.744 120.306 119.600 -0.063 0.000 2.175 300 M HA 0.035 4.515 4.480 0.000 0.000 0.264 300 M C 2.767 178.908 176.300 -0.264 0.000 1.063 300 M CA 1.216 56.419 55.300 -0.161 0.000 1.119 300 M CB -0.291 32.199 32.600 -0.183 0.000 1.377 300 M HN 0.317 nan 8.290 nan 0.000 0.415 301 R N -0.498 119.832 120.500 -0.283 0.000 2.073 301 R HA -0.079 4.261 4.340 0.000 0.000 0.229 301 R C 2.202 178.282 176.300 -0.367 0.000 1.120 301 R CA 1.161 57.053 56.100 -0.347 0.000 0.967 301 R CB -0.597 29.515 30.300 -0.314 0.000 0.862 301 R HN 0.227 nan 8.270 nan 0.000 0.436 302 V N 0.482 120.106 119.914 -0.483 0.000 2.626 302 V HA -0.208 3.912 4.120 0.000 0.000 0.252 302 V C 2.277 178.243 176.094 -0.213 0.000 1.067 302 V CA 2.011 64.069 62.300 -0.403 0.000 1.081 302 V CB 0.110 31.628 31.823 -0.507 0.000 0.686 302 V HN 0.304 nan 8.190 nan 0.000 0.468 303 S N -0.321 115.274 115.700 -0.175 0.000 2.336 303 S HA 0.031 4.501 4.470 0.000 0.000 0.216 303 S C 1.954 176.482 174.600 -0.120 0.000 1.032 303 S CA 1.307 59.459 58.200 -0.081 0.000 0.973 303 S CB -0.233 62.969 63.200 0.004 0.000 0.888 303 S HN 0.724 nan 8.310 nan 0.000 0.455 304 A N 1.152 123.834 122.820 -0.230 0.000 2.195 304 A HA 0.343 4.663 4.320 0.000 0.000 0.210 304 A C 1.191 178.565 177.584 -0.350 0.000 1.165 304 A CA 0.192 52.028 52.037 -0.335 0.000 0.806 304 A CB -0.274 18.369 19.000 -0.596 0.000 0.847 304 A HN 0.462 nan 8.150 nan 0.000 0.482 305 R N 0.101 120.421 120.500 -0.299 0.000 3.883 305 R HA -0.219 4.121 4.340 0.000 0.000 0.407 305 R C 0.450 176.600 176.300 -0.249 0.000 0.242 305 R CA 1.894 57.857 56.100 -0.229 0.000 1.306 305 R CB -1.945 28.262 30.300 -0.155 0.000 0.973 305 R HN 0.458 nan 8.270 nan 0.000 0.574 306 D N 1.483 121.771 120.400 -0.186 0.000 2.350 306 D HA -0.044 4.596 4.640 0.000 0.000 0.216 306 D C 1.773 177.926 176.300 -0.245 0.000 0.968 306 D CA 0.805 54.707 54.000 -0.163 0.000 0.894 306 D CB -0.217 40.518 40.800 -0.107 0.000 0.909 306 D HN 0.307 nan 8.370 nan 0.000 0.520 307 R N 0.010 120.299 120.500 -0.351 0.000 2.307 307 R HA 0.062 4.402 4.340 0.000 0.000 0.199 307 R C 0.170 176.082 176.300 -0.647 0.000 1.000 307 R CA 0.165 55.995 56.100 -0.449 0.000 1.023 307 R CB 0.529 30.529 30.300 -0.500 0.000 0.908 307 R HN -0.010 nan 8.270 nan 0.000 0.473 308 V N 3.399 122.913 119.914 -0.667 0.000 2.333 308 V HA 0.218 4.338 4.120 0.000 0.000 0.274 308 V C -2.110 173.634 176.094 -0.585 0.000 1.028 308 V CA -2.134 59.740 62.300 -0.710 0.000 0.851 308 V CB 1.089 32.449 31.823 -0.772 0.000 1.000 308 V HN -0.028 nan 8.190 nan 0.000 0.456 309 P HA 0.243 nan 4.420 nan 0.000 0.272 309 P C -1.106 175.806 177.300 -0.646 0.000 1.240 309 P CA -0.144 62.565 63.100 -0.651 0.000 0.791 309 P CB 0.409 31.424 31.700 -1.142 0.000 0.978 310 Y N -0.293 119.824 120.300 -0.305 0.000 2.360 310 Y HA 0.397 4.947 4.550 0.000 0.000 0.337 310 Y C 0.461 176.365 175.900 0.007 0.000 1.039 310 Y CA -0.261 57.795 58.100 -0.073 0.000 1.109 310 Y CB 0.658 39.117 38.460 -0.002 0.000 1.201 310 Y HN 0.220 nan 8.280 nan 0.000 0.458 311 F N 2.610 122.817 119.950 0.429 0.000 2.459 311 F HA 0.227 4.754 4.527 0.000 0.000 0.346 311 F C 0.669 176.595 175.800 0.210 0.000 1.128 311 F CA -0.358 57.818 58.000 0.293 0.000 1.268 311 F CB 0.538 39.614 39.000 0.127 0.000 1.161 311 F HN 0.282 nan 8.300 nan 0.000 0.583 312 K N 1.476 122.084 120.400 0.346 0.000 2.138 312 K HA 0.015 4.335 4.320 0.000 0.000 0.251 312 K C 1.219 177.925 176.600 0.177 0.000 1.015 312 K CA -0.403 56.011 56.287 0.211 0.000 0.917 312 K CB 0.684 33.278 32.500 0.157 0.000 1.021 312 K HN 0.734 nan 8.250 nan 0.000 0.485 313 E N 1.630 121.901 120.200 0.119 0.000 2.085 313 E HA -0.281 4.069 4.350 0.000 0.000 0.194 313 E C 1.555 178.197 176.600 0.070 0.000 0.994 313 E CA 1.662 58.116 56.400 0.090 0.000 0.801 313 E CB 0.177 29.914 29.700 0.062 0.000 0.743 313 E HN 0.378 nan 8.360 nan 0.000 0.453 314 K N 0.927 121.365 120.400 0.064 0.000 2.062 314 K HA -0.112 4.208 4.320 0.000 0.000 0.205 314 K C 1.893 178.516 176.600 0.038 0.000 1.051 314 K CA 1.689 58.002 56.287 0.044 0.000 0.941 314 K CB -0.058 32.466 32.500 0.041 0.000 0.719 314 K HN 0.198 nan 8.250 nan 0.000 0.440 315 E N 0.214 120.452 120.200 0.062 0.000 2.049 315 E HA -0.313 4.037 4.350 0.000 0.000 0.198 315 E C 2.152 178.735 176.600 -0.027 0.000 1.007 315 E CA 1.685 58.113 56.400 0.046 0.000 0.809 315 E CB -0.129 29.653 29.700 0.136 0.000 0.749 315 E HN 0.441 nan 8.360 nan 0.000 0.450 316 Q N 0.652 120.452 119.800 -0.000 0.000 2.096 316 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 316 Q C 1.925 177.891 176.000 -0.058 0.000 0.982 316 Q CA 1.587 57.350 55.803 -0.067 0.000 0.850 316 Q CB 0.083 28.848 28.738 0.045 0.000 0.901 316 Q HN 0.292 nan 8.270 nan 0.000 0.422 317 E N -0.020 120.171 120.200 -0.015 0.000 2.077 317 E HA -0.193 4.157 4.350 0.000 0.000 0.193 317 E C 1.936 178.520 176.600 -0.027 0.000 0.989 317 E CA 1.168 57.560 56.400 -0.013 0.000 0.800 317 E CB 0.082 29.782 29.700 -0.001 0.000 0.746 317 E HN 0.253 nan 8.360 nan 0.000 0.452 318 K N 0.444 120.826 120.400 -0.031 0.000 2.148 318 K HA -0.062 4.259 4.320 0.000 0.000 0.204 318 K C 2.149 178.724 176.600 -0.041 0.000 1.050 318 K CA 0.559 56.826 56.287 -0.033 0.000 0.942 318 K CB 0.018 32.504 32.500 -0.023 0.000 0.724 318 K HN 0.127 nan 8.250 nan 0.000 0.446 319 L N 1.175 122.348 121.223 -0.083 0.000 2.072 319 L HA -0.060 4.280 4.340 0.000 0.000 0.205 319 L C 0.383 177.235 176.870 -0.030 0.000 1.079 319 L CA 0.501 55.279 54.840 -0.102 0.000 0.752 319 L CB 0.138 41.998 42.059 -0.332 0.000 0.906 319 L HN -0.071 nan 8.230 nan 0.000 0.436 320 V N 1.267 121.159 119.914 -0.036 0.000 2.493 320 V HA 0.096 4.216 4.120 0.000 0.000 0.292 320 V C 1.248 177.356 176.094 0.023 0.000 1.016 320 V CA 1.007 63.313 62.300 0.010 0.000 1.097 320 V CB -0.031 31.795 31.823 0.005 0.000 0.947 320 V HN 0.670 nan 8.190 nan 0.000 0.479 321 G N 4.315 113.161 108.800 0.076 0.000 2.179 321 G HA2 -0.259 3.701 3.960 0.000 0.000 0.257 321 G HA3 -0.259 3.701 3.960 0.000 0.000 0.257 321 G C 0.472 175.274 174.900 -0.163 0.000 1.010 321 G CA 0.308 45.352 45.100 -0.095 0.000 0.736 321 G HN 1.306 nan 8.290 nan 0.000 0.513 322 S N -0.196 115.578 115.700 0.123 0.000 3.811 322 S HA 0.576 5.046 4.470 0.000 0.000 0.205 322 S C 0.040 174.866 174.600 0.375 0.000 1.445 322 S CA 0.213 58.516 58.200 0.172 0.000 1.097 322 S CB -0.770 62.549 63.200 0.199 0.000 1.350 322 S HN 1.649 nan 8.310 nan 0.000 0.471 323 Y N -2.826 117.549 120.300 0.125 0.000 2.565 323 Y HA 0.555 5.105 4.550 0.000 0.000 0.330 323 Y C -0.528 175.429 175.900 0.096 0.000 1.150 323 Y CA -1.269 56.909 58.100 0.130 0.000 1.055 323 Y CB 0.397 38.934 38.460 0.129 0.000 1.337 323 Y HN 0.009 nan 8.280 nan 0.000 0.457 324 D N 2.817 123.318 120.400 0.168 0.000 2.392 324 D HA 0.078 4.718 4.640 0.000 0.000 0.206 324 D C 0.392 176.849 176.300 0.262 0.000 1.046 324 D CA 1.068 55.144 54.000 0.127 0.000 0.865 324 D CB 0.735 41.600 40.800 0.109 0.000 0.969 324 D HN 0.613 nan 8.370 nan 0.000 0.509 325 M N -0.181 119.631 119.600 0.354 0.000 2.603 325 M HA 0.377 4.857 4.480 0.000 0.000 0.275 325 M C -2.259 174.215 176.300 0.290 0.000 1.226 325 M CA -0.779 54.735 55.300 0.357 0.000 0.870 325 M CB 2.338 35.193 32.600 0.425 0.000 1.716 325 M HN -0.393 nan 8.290 nan 0.000 0.482 326 I N 1.741 122.433 120.570 0.203 0.000 2.406 326 I HA 0.600 4.770 4.170 0.000 0.000 0.290 326 I C 0.608 176.806 176.117 0.136 0.000 0.999 326 I CA -0.189 61.159 61.300 0.079 0.000 1.124 326 I CB 1.482 39.446 38.000 -0.059 0.000 1.289 326 I HN 0.945 nan 8.210 nan 0.000 0.441 327 G N 6.822 115.684 108.800 0.103 0.000 2.372 327 G HA2 0.557 4.517 3.960 0.000 0.000 0.283 327 G HA3 0.557 4.517 3.960 0.000 0.000 0.283 327 G C -0.413 174.522 174.900 0.058 0.000 1.177 327 G CA -0.309 44.852 45.100 0.101 0.000 0.842 327 G HN 0.378 nan 8.290 nan 0.000 0.503 328 I N 2.129 122.748 120.570 0.082 0.000 2.389 328 I HA 0.236 4.406 4.170 0.000 0.000 0.288 328 I C -0.812 175.346 176.117 0.070 0.000 0.999 328 I CA -1.230 60.117 61.300 0.079 0.000 1.129 328 I CB 1.548 39.612 38.000 0.107 0.000 1.288 328 I HN 0.280 nan 8.210 nan 0.000 0.444 329 N N 6.260 124.985 118.700 0.042 0.000 2.457 329 N HA 0.247 4.987 4.740 0.000 0.000 0.250 329 N C -1.044 174.466 175.510 -0.001 0.000 0.982 329 N CA -0.245 52.798 53.050 -0.013 0.000 0.941 329 N CB 0.917 39.409 38.487 0.007 0.000 1.120 329 N HN 0.416 nan 8.380 nan 0.000 0.505 330 Y N 2.377 122.547 120.300 -0.217 0.000 2.350 330 Y HA 0.333 4.883 4.550 0.000 0.000 0.338 330 Y C -0.568 175.146 175.900 -0.310 0.000 0.961 330 Y CA -0.564 57.464 58.100 -0.121 0.000 1.100 330 Y CB 0.662 39.139 38.460 0.028 0.000 1.179 330 Y HN 0.535 nan 8.280 nan 0.000 0.454 331 Y N 1.992 121.857 120.300 -0.725 0.000 2.736 331 Y HA 0.317 4.867 4.550 0.000 0.000 0.272 331 Y C 1.013 176.614 175.900 -0.499 0.000 1.118 331 Y CA 0.565 58.421 58.100 -0.406 0.000 1.248 331 Y CB 1.047 39.439 38.460 -0.114 0.000 1.437 331 Y HN 0.576 nan 8.280 nan 0.000 0.481 332 T N -1.452 112.859 114.554 -0.406 0.000 2.693 332 T HA 0.616 4.966 4.350 0.000 0.000 0.304 332 T C -1.508 173.395 174.700 0.339 0.000 1.471 332 T CA -0.545 61.609 62.100 0.090 0.000 0.993 332 T CB 1.173 70.204 68.868 0.272 0.000 1.554 332 T HN -0.066 nan 8.240 nan 0.000 0.496 333 S N 0.348 116.276 115.700 0.380 0.000 2.627 333 S HA 0.871 5.341 4.470 0.000 0.000 0.283 333 S C -0.819 173.818 174.600 0.062 0.000 1.127 333 S CA -0.684 57.698 58.200 0.303 0.000 0.863 333 S CB 1.909 65.277 63.200 0.280 0.000 1.121 333 S HN 1.099 nan 8.310 nan 0.000 0.479 334 T N -0.974 113.571 114.554 -0.014 0.000 2.887 334 T HA 0.781 5.132 4.350 0.000 0.000 0.292 334 T C -0.878 173.687 174.700 -0.225 0.000 1.087 334 T CA -0.727 61.303 62.100 -0.118 0.000 1.009 334 T CB 0.417 69.287 68.868 0.004 0.000 1.203 334 T HN 0.288 nan 8.240 nan 0.000 0.518 335 F N 1.022 121.010 119.950 0.064 0.000 2.382 335 F HA 0.553 5.080 4.527 0.000 0.000 0.331 335 F C 1.064 176.940 175.800 0.128 0.000 1.121 335 F CA -0.356 57.717 58.000 0.122 0.000 1.183 335 F CB 1.316 40.451 39.000 0.226 0.000 1.207 335 F HN 0.496 nan 8.300 nan 0.000 0.555 336 S N 2.125 118.026 115.700 0.335 0.000 2.478 336 S HA 0.400 4.870 4.470 0.000 0.000 0.312 336 S C -0.725 174.000 174.600 0.208 0.000 1.094 336 S CA -0.937 57.388 58.200 0.208 0.000 1.081 336 S CB 1.361 64.662 63.200 0.168 0.000 1.007 336 S HN 0.479 nan 8.310 nan 0.000 0.475 337 K N 2.116 122.563 120.400 0.079 0.000 2.345 337 K HA 0.309 4.629 4.320 0.000 0.000 0.255 337 K C -0.623 175.987 176.600 0.017 0.000 0.934 337 K CA -0.705 55.570 56.287 -0.019 0.000 0.801 337 K CB 0.930 33.196 32.500 -0.391 0.000 1.137 337 K HN 0.832 nan 8.250 nan 0.000 0.424 338 H N 3.676 122.733 119.070 -0.022 0.000 2.897 338 H HA 0.149 4.705 4.556 0.000 0.000 0.347 338 H C -0.755 174.573 175.328 -0.001 0.000 1.068 338 H CA 0.523 56.577 56.048 0.008 0.000 1.426 338 H CB 0.400 30.164 29.762 0.003 0.000 1.410 338 H HN 0.421 nan 8.280 nan 0.000 0.597 339 I N 4.702 124.933 120.570 -0.565 0.000 2.465 339 I HA 0.131 4.301 4.170 0.000 0.000 0.291 339 I C -0.293 175.464 176.117 -0.600 0.000 1.014 339 I CA -0.979 60.072 61.300 -0.415 0.000 1.093 339 I CB 1.651 39.558 38.000 -0.154 0.000 1.267 339 I HN 0.663 nan 8.210 nan 0.000 0.431 340 D N 5.050 125.267 120.400 -0.306 0.000 2.372 340 D HA 0.116 4.756 4.640 0.000 0.000 0.243 340 D C -0.328 175.981 176.300 0.015 0.000 1.121 340 D CA -0.168 53.790 54.000 -0.071 0.000 0.898 340 D CB 1.621 42.476 40.800 0.091 0.000 1.202 340 D HN 0.116 nan 8.370 nan 0.000 0.428 341 L N 2.624 123.801 121.223 -0.078 0.000 2.325 341 L HA 0.236 4.576 4.340 0.000 0.000 0.284 341 L C -0.225 176.638 176.870 -0.012 0.000 1.089 341 L CA 0.213 54.974 54.840 -0.132 0.000 0.836 341 L CB -0.739 41.104 42.059 -0.360 0.000 1.184 341 L HN 0.457 nan 8.230 nan 0.000 0.444 342 S N 4.912 120.640 115.700 0.047 0.000 2.625 342 S HA 0.656 5.126 4.470 0.000 0.000 0.271 342 S C -2.440 172.179 174.600 0.033 0.000 1.161 342 S CA -0.856 57.361 58.200 0.029 0.000 0.820 342 S CB 1.507 64.723 63.200 0.028 0.000 1.137 342 S HN 0.386 nan 8.310 nan 0.000 0.470 343 P HA 0.073 nan 4.420 nan 0.000 0.225 343 P C 0.584 177.890 177.300 0.009 0.000 1.148 343 P CA 0.889 63.996 63.100 0.011 0.000 0.779 343 P CB -0.141 31.561 31.700 0.005 0.000 0.780 344 N N -1.181 117.525 118.700 0.011 0.000 2.463 344 N HA -0.031 4.709 4.740 0.000 0.000 0.181 344 N C 0.346 175.856 175.510 -0.001 0.000 1.078 344 N CA 0.513 53.565 53.050 0.003 0.000 0.902 344 N CB -0.356 38.132 38.487 0.002 0.000 0.970 344 N HN 0.208 nan 8.380 nan 0.000 0.451 345 N N 0.280 118.988 118.700 0.014 0.000 2.372 345 N HA 0.201 4.941 4.740 0.000 0.000 0.285 345 N C -1.459 174.049 175.510 -0.004 0.000 1.008 345 N CA 0.041 53.090 53.050 -0.001 0.000 0.880 345 N CB 1.031 39.533 38.487 0.025 0.000 1.239 345 N HN -0.231 nan 8.380 nan 0.000 0.484 346 S N 3.268 118.939 115.700 -0.049 0.000 2.707 346 S HA 0.437 4.907 4.470 0.000 0.000 0.303 346 S C -2.526 172.010 174.600 -0.107 0.000 1.132 346 S CA -0.807 57.359 58.200 -0.057 0.000 1.046 346 S CB 1.683 64.858 63.200 -0.042 0.000 1.004 346 S HN 0.505 nan 8.310 nan 0.000 0.483 347 P HA 0.112 nan 4.420 nan 0.000 0.264 347 P C 0.186 177.414 177.300 -0.120 0.000 1.183 347 P CA -0.087 62.908 63.100 -0.176 0.000 0.763 347 P CB 0.637 32.226 31.700 -0.184 0.000 0.807 348 V N 2.571 122.413 119.914 -0.120 0.000 3.013 348 V HA 0.113 4.233 4.120 0.000 0.000 0.238 348 V C 0.838 176.875 176.094 -0.095 0.000 1.161 348 V CA 0.646 62.890 62.300 -0.094 0.000 1.170 348 V CB -0.241 31.530 31.823 -0.086 0.000 0.917 348 V HN 0.335 nan 8.190 nan 0.000 0.478 349 L N 1.758 122.914 121.223 -0.112 0.000 2.344 349 L HA 0.404 4.744 4.340 0.000 0.000 0.272 349 L C 1.591 178.386 176.870 -0.126 0.000 1.035 349 L CA -0.434 54.337 54.840 -0.115 0.000 0.807 349 L CB 0.926 42.911 42.059 -0.123 0.000 1.237 349 L HN 0.287 nan 8.230 nan 0.000 0.442 350 N N 0.244 118.864 118.700 -0.133 0.000 2.137 350 N HA -0.232 4.508 4.740 0.000 0.000 0.190 350 N C 1.251 176.629 175.510 -0.221 0.000 1.017 350 N CA 2.102 55.046 53.050 -0.175 0.000 0.859 350 N CB -0.816 37.429 38.487 -0.402 0.000 1.002 350 N HN 0.857 nan 8.380 nan 0.000 0.428 351 T N -2.202 112.233 114.554 -0.198 0.000 3.007 351 T HA -0.052 4.298 4.350 0.000 0.000 0.270 351 T C 1.106 175.700 174.700 -0.178 0.000 1.107 351 T CA 1.019 63.012 62.100 -0.178 0.000 1.118 351 T CB -0.153 68.633 68.868 -0.136 0.000 0.889 351 T HN 0.036 nan 8.240 nan 0.000 0.506 352 D N 1.762 122.044 120.400 -0.197 0.000 2.310 352 D HA -0.046 4.594 4.640 0.000 0.000 0.212 352 D C 1.462 177.548 176.300 -0.357 0.000 0.965 352 D CA 0.574 54.414 54.000 -0.266 0.000 0.879 352 D CB -0.293 40.350 40.800 -0.261 0.000 0.921 352 D HN 0.412 nan 8.370 nan 0.000 0.510 353 D N 0.444 120.701 120.400 -0.238 0.000 2.310 353 D HA -0.059 4.581 4.640 0.000 0.000 0.212 353 D C 1.774 178.032 176.300 -0.069 0.000 0.965 353 D CA 0.348 54.246 54.000 -0.170 0.000 0.879 353 D CB 0.042 40.789 40.800 -0.088 0.000 0.921 353 D HN 0.146 nan 8.370 nan 0.000 0.510 354 A N -0.244 122.518 122.820 -0.097 0.000 2.206 354 A HA -0.095 4.225 4.320 0.000 0.000 0.211 354 A C 0.143 177.785 177.584 0.097 0.000 1.158 354 A CA -0.025 52.017 52.037 0.009 0.000 0.761 354 A CB -0.659 18.332 19.000 -0.014 0.000 0.801 354 A HN 0.260 nan 8.150 nan 0.000 0.473 355 Y N -2.422 117.831 120.300 -0.078 0.000 3.168 355 Y HA -0.153 4.397 4.550 0.000 0.000 0.207 355 Y C 0.503 176.330 175.900 -0.121 0.000 1.280 355 Y CA 0.522 58.554 58.100 -0.112 0.000 1.235 355 Y CB -1.893 36.499 38.460 -0.112 0.000 1.370 355 Y HN 0.712 nan 8.280 nan 0.000 0.537 356 A N 0.040 122.827 122.820 -0.055 0.000 2.547 356 A HA 0.791 5.111 4.320 0.000 0.000 0.297 356 A C -0.213 177.328 177.584 -0.071 0.000 1.056 356 A CA -0.150 51.867 52.037 -0.032 0.000 0.688 356 A CB 1.081 20.099 19.000 0.029 0.000 1.282 356 A HN 0.628 nan 8.150 nan 0.000 0.400 357 S N 1.607 117.262 115.700 -0.074 0.000 2.565 357 S HA 0.675 5.145 4.470 0.000 0.000 0.290 357 S C -0.779 173.797 174.600 -0.039 0.000 1.150 357 S CA -0.708 57.444 58.200 -0.080 0.000 1.058 357 S CB 1.323 64.460 63.200 -0.104 0.000 1.032 357 S HN 0.577 nan 8.310 nan 0.000 0.510 358 Q N 2.192 121.970 119.800 -0.037 0.000 2.368 358 Q HA 0.433 4.773 4.340 0.000 0.000 0.256 358 Q C -0.661 175.361 176.000 0.036 0.000 0.980 358 Q CA -0.219 55.584 55.803 -0.001 0.000 0.887 358 Q CB 1.158 29.854 28.738 -0.069 0.000 1.221 358 Q HN 0.680 nan 8.270 nan 0.000 0.458 359 E N 1.419 121.697 120.200 0.130 0.000 2.179 359 E HA 0.194 4.544 4.350 0.000 0.000 0.275 359 E C 0.739 177.501 176.600 0.270 0.000 0.945 359 E CA -0.293 56.218 56.400 0.184 0.000 0.792 359 E CB 1.672 31.517 29.700 0.241 0.000 1.125 359 E HN 0.568 nan 8.360 nan 0.000 0.397 360 T N -0.715 113.964 114.554 0.208 0.000 3.043 360 T HA 0.079 4.429 4.350 0.000 0.000 0.263 360 T C 0.662 175.553 174.700 0.318 0.000 1.094 360 T CA 0.555 62.786 62.100 0.217 0.000 1.127 360 T CB 0.339 69.296 68.868 0.148 0.000 0.905 360 T HN 0.075 nan 8.240 nan 0.000 0.490 361 K N 1.355 121.929 120.400 0.292 0.000 2.206 361 K HA 0.593 4.913 4.320 0.000 0.000 0.264 361 K C 0.486 177.155 176.600 0.114 0.000 0.967 361 K CA -0.716 55.706 56.287 0.225 0.000 0.844 361 K CB 1.798 34.377 32.500 0.132 0.000 1.099 361 K HN 0.315 nan 8.250 nan 0.000 0.441 362 G N 1.834 110.485 108.800 -0.249 0.000 2.543 362 G HA2 0.166 4.126 3.960 0.000 0.000 0.290 362 G HA3 0.166 4.126 3.960 0.000 0.000 0.290 362 G C -1.631 172.891 174.900 -0.630 0.000 1.310 362 G CA -0.959 43.535 45.100 -1.009 0.000 1.025 362 G HN 0.371 nan 8.290 nan 0.000 0.502 363 P HA 0.030 nan 4.420 nan 0.000 0.245 363 P C 0.243 177.389 177.300 -0.258 0.000 1.212 363 P CA 0.847 63.622 63.100 -0.540 0.000 0.774 363 P CB 0.289 31.579 31.700 -0.682 0.000 0.999 364 D N -1.645 118.608 120.400 -0.244 0.000 2.363 364 D HA 0.148 4.788 4.640 0.000 0.000 0.214 364 D C 1.401 177.659 176.300 -0.072 0.000 1.093 364 D CA 0.142 54.068 54.000 -0.123 0.000 0.837 364 D CB -0.687 40.054 40.800 -0.099 0.000 0.948 364 D HN 0.174 nan 8.370 nan 0.000 0.507 365 G N 0.069 108.824 108.800 -0.075 0.000 2.176 365 G HA2 -0.276 3.684 3.960 0.000 0.000 0.253 365 G HA3 -0.276 3.684 3.960 0.000 0.000 0.253 365 G C -0.115 174.790 174.900 0.009 0.000 0.979 365 G CA -0.191 44.898 45.100 -0.018 0.000 0.641 365 G HN 0.392 nan 8.290 nan 0.000 0.530 366 N N 0.962 119.663 118.700 0.001 0.000 2.479 366 N HA 0.661 5.401 4.740 0.000 0.000 0.285 366 N C 0.590 176.174 175.510 0.124 0.000 1.075 366 N CA 0.523 53.607 53.050 0.058 0.000 0.967 366 N CB 1.440 39.965 38.487 0.062 0.000 1.137 366 N HN 0.689 nan 8.380 nan 0.000 0.472 367 A N 1.781 124.685 122.820 0.139 0.000 2.466 367 A HA 0.074 4.394 4.320 0.000 0.000 0.238 367 A C 1.676 179.395 177.584 0.225 0.000 1.074 367 A CA -0.285 51.861 52.037 0.181 0.000 0.774 367 A CB -0.085 18.994 19.000 0.132 0.000 1.015 367 A HN 0.883 nan 8.150 nan 0.000 0.498 368 I N 0.624 121.315 120.570 0.202 0.000 2.286 368 I HA 0.061 4.231 4.170 0.000 0.000 0.248 368 I C 1.042 177.180 176.117 0.034 0.000 1.115 368 I CA 1.877 63.149 61.300 -0.047 0.000 1.392 368 I CB 0.012 37.683 38.000 -0.549 0.000 1.065 368 I HN 0.763 nan 8.210 nan 0.000 0.418 369 G N -0.469 108.401 108.800 0.115 0.000 2.608 369 G HA2 0.441 4.401 3.960 0.000 0.000 0.291 369 G HA3 0.441 4.401 3.960 0.000 0.000 0.291 369 G C -3.056 171.932 174.900 0.146 0.000 1.425 369 G CA -0.749 44.465 45.100 0.189 0.000 0.787 369 G HN -0.116 nan 8.290 nan 0.000 0.484 370 P HA 0.350 nan 4.420 nan 0.000 0.276 370 P C -2.661 174.700 177.300 0.102 0.000 1.244 370 P CA -1.357 61.805 63.100 0.104 0.000 0.801 370 P CB 1.110 32.863 31.700 0.088 0.000 1.006 371 P HA 0.056 nan 4.420 nan 0.000 0.272 371 P C 0.626 177.949 177.300 0.039 0.000 1.223 371 P CA 0.184 63.316 63.100 0.054 0.000 0.784 371 P CB 0.257 31.983 31.700 0.042 0.000 0.923 372 T N -2.313 112.240 114.554 -0.001 0.000 3.010 372 T HA 0.426 4.776 4.350 0.000 0.000 0.257 372 T C 1.085 175.730 174.700 -0.091 0.000 1.020 372 T CA 0.676 62.757 62.100 -0.031 0.000 0.938 372 T CB 0.044 68.873 68.868 -0.064 0.000 1.049 372 T HN 0.559 nan 8.240 nan 0.000 0.522 373 G N 2.333 111.081 108.800 -0.086 0.000 4.332 373 G HA2 -0.039 3.921 3.960 0.000 0.000 0.198 373 G HA3 -0.039 3.921 3.960 0.000 0.000 0.198 373 G C 0.073 174.932 174.900 -0.068 0.000 1.460 373 G CA 0.009 45.057 45.100 -0.087 0.000 0.900 373 G HN 0.757 nan 8.290 nan 0.000 0.325 374 N N 1.378 120.011 118.700 -0.111 0.000 2.443 374 N HA 0.642 5.382 4.740 0.000 0.000 0.294 374 N C 1.504 177.032 175.510 0.030 0.000 1.289 374 N CA 0.750 53.781 53.050 -0.032 0.000 0.966 374 N CB 0.216 38.689 38.487 -0.024 0.000 1.122 374 N HN 0.744 nan 8.380 nan 0.000 0.569 375 A N -1.755 121.161 122.820 0.160 0.000 2.169 375 A HA 0.060 4.380 4.320 0.000 0.000 0.212 375 A C 0.984 178.737 177.584 0.282 0.000 1.153 375 A CA 0.904 53.068 52.037 0.212 0.000 0.756 375 A CB -0.903 18.242 19.000 0.241 0.000 0.813 375 A HN 0.816 nan 8.150 nan 0.000 0.471 376 W N -2.398 118.956 121.300 0.090 0.000 2.340 376 W HA 0.409 5.069 4.660 0.000 0.000 0.250 376 W C -0.513 176.092 176.519 0.143 0.000 0.952 376 W CA -0.281 57.128 57.345 0.107 0.000 1.219 376 W CB -0.157 29.370 29.460 0.112 0.000 0.921 376 W HN -0.008 nan 8.180 nan 0.000 0.603 377 I N 4.618 124.894 120.570 -0.489 0.000 2.269 377 I HA 0.120 4.290 4.170 0.000 0.000 0.293 377 I C -0.333 175.743 176.117 -0.068 0.000 1.106 377 I CA 0.059 61.101 61.300 -0.430 0.000 1.248 377 I CB -0.148 37.446 38.000 -0.676 0.000 1.444 377 I HN -0.163 nan 8.210 nan 0.000 0.497 378 N N 6.416 125.166 118.700 0.083 0.000 2.456 378 N HA 0.275 5.015 4.740 0.000 0.000 0.288 378 N C -0.342 175.316 175.510 0.247 0.000 1.059 378 N CA -0.680 52.458 53.050 0.147 0.000 0.946 378 N CB 1.773 40.344 38.487 0.141 0.000 1.150 378 N HN 0.433 nan 8.380 nan 0.000 0.479 379 M N 3.301 123.058 119.600 0.262 0.000 2.292 379 M HA 0.075 4.555 4.480 0.000 0.000 0.342 379 M C -1.523 174.975 176.300 0.330 0.000 1.538 379 M CA 0.279 55.771 55.300 0.319 0.000 1.163 379 M CB -0.396 32.351 32.600 0.245 0.000 1.823 379 M HN 0.494 nan 8.290 nan 0.000 0.462 380 Y N 8.163 128.583 120.300 0.199 0.000 2.542 380 Y HA 0.415 4.966 4.550 0.000 0.000 0.316 380 Y C -2.367 173.634 175.900 0.170 0.000 1.107 380 Y CA -1.764 56.427 58.100 0.151 0.000 1.233 380 Y CB 0.748 39.308 38.460 0.167 0.000 1.111 380 Y HN 0.626 nan 8.280 nan 0.000 0.613 381 P HA -0.174 nan 4.420 nan 0.000 0.220 381 P C 1.368 178.446 177.300 -0.371 0.000 1.148 381 P CA 1.298 64.092 63.100 -0.509 0.000 0.803 381 P CB 0.402 31.577 31.700 -0.876 0.000 0.782 382 K N 0.316 120.381 120.400 -0.558 0.000 2.152 382 K HA -0.102 4.218 4.320 0.000 0.000 0.206 382 K C 2.230 178.720 176.600 -0.184 0.000 1.048 382 K CA 1.609 57.632 56.287 -0.440 0.000 0.933 382 K CB -1.021 31.091 32.500 -0.646 0.000 0.721 382 K HN 0.072 nan 8.250 nan 0.000 0.447 383 G N 1.557 110.304 108.800 -0.088 0.000 2.442 383 G HA2 -0.271 3.690 3.960 0.000 0.000 0.219 383 G HA3 -0.271 3.690 3.960 0.000 0.000 0.219 383 G C 1.403 176.189 174.900 -0.190 0.000 1.141 383 G CA 0.697 45.911 45.100 0.190 0.000 0.763 383 G HN 0.311 nan 8.290 nan 0.000 0.554 384 L N -0.115 120.759 121.223 -0.581 0.000 2.046 384 L HA -0.135 4.205 4.340 0.000 0.000 0.208 384 L C 2.633 179.398 176.870 -0.174 0.000 1.077 384 L CA 2.112 56.584 54.840 -0.613 0.000 0.747 384 L CB -0.571 41.196 42.059 -0.486 0.000 0.896 384 L HN 0.445 nan 8.230 nan 0.000 0.432 385 H N 0.072 119.046 119.070 -0.161 0.000 2.319 385 H HA -0.214 4.342 4.556 0.000 0.000 0.299 385 H C 1.627 176.940 175.328 -0.024 0.000 1.092 385 H CA 2.103 58.109 56.048 -0.071 0.000 1.302 385 H CB 0.040 29.757 29.762 -0.076 0.000 1.373 385 H HN 0.407 nan 8.280 nan 0.000 0.497 386 D N 0.711 121.080 120.400 -0.051 0.000 2.104 386 D HA -0.124 4.516 4.640 0.000 0.000 0.194 386 D C 2.563 178.834 176.300 -0.049 0.000 0.994 386 D CA 1.127 55.101 54.000 -0.043 0.000 0.830 386 D CB -0.324 40.548 40.800 0.119 0.000 0.959 386 D HN 0.467 nan 8.370 nan 0.000 0.452 387 I N 0.464 121.027 120.570 -0.011 0.000 2.252 387 I HA -0.214 3.956 4.170 0.000 0.000 0.245 387 I C 2.382 178.507 176.117 0.013 0.000 1.102 387 I CA 0.655 61.979 61.300 0.039 0.000 1.385 387 I CB -0.084 37.950 38.000 0.055 0.000 1.064 387 I HN -0.043 nan 8.210 nan 0.000 0.414 388 L N -0.512 120.687 121.223 -0.041 0.000 2.141 388 L HA -0.197 4.144 4.340 0.000 0.000 0.209 388 L C 2.562 179.404 176.870 -0.048 0.000 1.094 388 L CA 0.823 55.651 54.840 -0.021 0.000 0.763 388 L CB -0.405 41.648 42.059 -0.010 0.000 0.908 388 L HN 0.289 nan 8.230 nan 0.000 0.437 389 M N -0.920 118.589 119.600 -0.153 0.000 2.175 389 M HA -0.122 4.358 4.480 0.000 0.000 0.264 389 M C 2.346 178.625 176.300 -0.035 0.000 1.063 389 M CA 1.620 56.838 55.300 -0.137 0.000 1.119 389 M CB -1.393 31.049 32.600 -0.263 0.000 1.377 389 M HN 0.174 nan 8.290 nan 0.000 0.415 390 T N 1.013 115.568 114.554 0.001 0.000 2.708 390 T HA -0.124 4.226 4.350 0.000 0.000 0.266 390 T C 1.946 176.725 174.700 0.131 0.000 1.037 390 T CA 1.221 63.359 62.100 0.063 0.000 1.146 390 T CB -0.050 68.890 68.868 0.121 0.000 0.865 390 T HN 0.202 nan 8.240 nan 0.000 0.435 391 M N 1.069 120.764 119.600 0.160 0.000 2.108 391 M HA -0.053 4.427 4.480 0.000 0.000 0.261 391 M C 2.245 178.634 176.300 0.148 0.000 1.066 391 M CA 1.541 56.964 55.300 0.205 0.000 1.107 391 M CB -0.993 31.683 32.600 0.127 0.000 1.356 391 M HN 0.226 nan 8.290 nan 0.000 0.406 392 K N 0.019 120.468 120.400 0.081 0.000 2.025 392 K HA -0.148 4.172 4.320 0.000 0.000 0.207 392 K C 1.588 178.217 176.600 0.048 0.000 1.049 392 K CA 1.346 57.670 56.287 0.061 0.000 0.933 392 K CB 0.099 32.619 32.500 0.034 0.000 0.714 392 K HN 0.272 nan 8.250 nan 0.000 0.438 393 N N 0.391 119.105 118.700 0.023 0.000 2.395 393 N HA -0.073 4.667 4.740 0.000 0.000 0.175 393 N C 1.443 176.931 175.510 -0.036 0.000 1.029 393 N CA 0.838 53.887 53.050 -0.001 0.000 0.897 393 N CB 0.269 38.751 38.487 -0.009 0.000 0.991 393 N HN 0.248 nan 8.380 nan 0.000 0.441 394 K N -0.689 119.661 120.400 -0.084 0.000 2.287 394 K HA 0.082 4.402 4.320 0.000 0.000 0.199 394 K C 0.203 176.624 176.600 -0.299 0.000 1.061 394 K CA 0.432 56.559 56.287 -0.267 0.000 0.976 394 K CB 0.272 32.478 32.500 -0.490 0.000 0.898 394 K HN -0.018 nan 8.250 nan 0.000 0.492 395 Y N -0.248 120.084 120.300 0.053 0.000 2.696 395 Y HA 0.309 4.859 4.550 0.000 0.000 0.260 395 Y C 0.767 176.714 175.900 0.077 0.000 1.165 395 Y CA -0.030 58.107 58.100 0.061 0.000 1.189 395 Y CB 1.387 39.875 38.460 0.046 0.000 1.180 395 Y HN 0.338 nan 8.280 nan 0.000 0.538 396 G N 0.769 109.674 108.800 0.175 0.000 2.175 396 G HA2 -0.357 3.603 3.960 0.000 0.000 0.244 396 G HA3 -0.357 3.603 3.960 0.000 0.000 0.244 396 G C 0.353 175.336 174.900 0.139 0.000 0.982 396 G CA 0.020 45.210 45.100 0.149 0.000 0.641 396 G HN 0.413 nan 8.290 nan 0.000 0.527 397 N N -0.255 118.527 118.700 0.138 0.000 2.696 397 N HA -0.115 4.625 4.740 0.000 0.000 0.256 397 N C -1.341 174.246 175.510 0.128 0.000 1.031 397 N CA 1.239 54.357 53.050 0.114 0.000 0.730 397 N CB -0.425 38.113 38.487 0.085 0.000 0.894 397 N HN 0.634 nan 8.380 nan 0.000 0.544 398 P HA 0.294 nan 4.420 nan 0.000 0.274 398 P C -2.659 174.728 177.300 0.146 0.000 1.246 398 P CA -1.109 62.114 63.100 0.205 0.000 0.795 398 P CB 0.067 31.939 31.700 0.286 0.000 1.006 399 P HA 0.189 nan 4.420 nan 0.000 0.264 399 P C -0.317 177.027 177.300 0.074 0.000 1.193 399 P CA 0.925 64.079 63.100 0.091 0.000 0.763 399 P CB 0.175 31.963 31.700 0.147 0.000 0.810 400 M N 3.055 122.610 119.600 -0.075 0.000 2.591 400 M HA 0.470 4.950 4.480 0.000 0.000 0.306 400 M C -1.051 175.044 176.300 -0.341 0.000 1.190 400 M CA -0.624 54.647 55.300 -0.049 0.000 0.889 400 M CB 2.121 34.728 32.600 0.012 0.000 1.728 400 M HN 0.223 nan 8.290 nan 0.000 0.458 401 Y N 1.510 121.855 120.300 0.076 0.000 2.462 401 Y HA 0.461 5.011 4.550 0.000 0.000 0.346 401 Y C -0.255 175.699 175.900 0.090 0.000 0.976 401 Y CA -1.049 57.090 58.100 0.066 0.000 1.044 401 Y CB 1.463 39.982 38.460 0.097 0.000 1.230 401 Y HN 0.407 nan 8.280 nan 0.000 0.455 402 I N 3.315 124.024 120.570 0.231 0.000 2.293 402 I HA 0.031 4.201 4.170 0.000 0.000 0.299 402 I C 1.177 177.404 176.117 0.183 0.000 1.153 402 I CA 0.065 61.479 61.300 0.189 0.000 1.302 402 I CB -0.403 37.739 38.000 0.238 0.000 1.460 402 I HN 0.780 nan 8.210 nan 0.000 0.552 403 T N 2.132 116.751 114.554 0.108 0.000 3.088 403 T HA 0.162 4.512 4.350 0.000 0.000 0.259 403 T C 0.587 175.281 174.700 -0.011 0.000 1.122 403 T CA 0.329 62.409 62.100 -0.032 0.000 1.095 403 T CB 0.222 69.007 68.868 -0.139 0.000 0.930 403 T HN 0.558 nan 8.240 nan 0.000 0.508 404 E N 0.757 120.953 120.200 -0.006 0.000 2.335 404 E HA 0.451 4.801 4.350 0.000 0.000 0.280 404 E C -1.406 175.075 176.600 -0.198 0.000 0.918 404 E CA -0.766 55.636 56.400 0.003 0.000 0.765 404 E CB 1.907 31.625 29.700 0.029 0.000 1.218 404 E HN 0.208 nan 8.360 nan 0.000 0.425 405 N N 1.667 120.267 118.700 -0.168 0.000 2.493 405 N HA 0.534 5.274 4.740 0.000 0.000 0.279 405 N C -1.219 174.353 175.510 0.104 0.000 1.082 405 N CA -0.167 52.773 53.050 -0.182 0.000 0.963 405 N CB 2.053 40.555 38.487 0.025 0.000 1.627 405 N HN 0.678 nan 8.380 nan 0.000 0.499 406 G N 1.341 110.221 108.800 0.133 0.000 2.321 406 G HA2 0.511 4.471 3.960 0.000 0.000 0.296 406 G HA3 0.511 4.471 3.960 0.000 0.000 0.296 406 G C -1.667 173.157 174.900 -0.126 0.000 1.287 406 G CA -0.509 44.673 45.100 0.137 0.000 0.846 406 G HN 0.708 nan 8.290 nan 0.000 0.508 407 M N -1.474 117.967 119.600 -0.266 0.000 2.773 407 M HA 0.787 5.267 4.480 0.000 0.000 0.270 407 M C -0.361 175.239 176.300 -1.166 0.000 1.238 407 M CA -0.700 54.213 55.300 -0.645 0.000 0.832 407 M CB 1.701 33.800 32.600 -0.836 0.000 1.672 407 M HN 1.422 nan 8.290 nan 0.000 0.480 408 G N 0.174 108.158 108.800 -1.360 0.000 2.452 408 G HA2 0.663 4.623 3.960 0.000 0.000 0.324 408 G HA3 0.663 4.623 3.960 0.000 0.000 0.324 408 G C -1.789 172.796 174.900 -0.525 0.000 1.214 408 G CA -0.439 43.876 45.100 -1.308 0.000 0.947 408 G HN 0.686 nan 8.290 nan 0.000 0.478 409 D N 1.323 121.532 120.400 -0.319 0.000 2.177 409 D HA 0.263 4.903 4.640 0.000 0.000 0.247 409 D C 0.493 176.746 176.300 -0.079 0.000 1.063 409 D CA -0.293 53.617 54.000 -0.150 0.000 0.867 409 D CB 2.119 42.870 40.800 -0.080 0.000 1.168 409 D HN 0.021 nan 8.370 nan 0.000 0.445 410 I N 1.857 122.401 120.570 -0.042 0.000 2.496 410 I HA 0.071 4.241 4.170 0.000 0.000 0.285 410 I C 0.464 176.598 176.117 0.028 0.000 1.080 410 I CA 0.203 61.505 61.300 0.003 0.000 1.404 410 I CB 0.281 38.287 38.000 0.010 0.000 1.403 410 I HN 0.270 nan 8.210 nan 0.000 0.539 411 D N 6.308 126.738 120.400 0.050 0.000 2.358 411 D HA 0.226 4.866 4.640 0.000 0.000 0.253 411 D C -0.196 176.145 176.300 0.070 0.000 1.288 411 D CA -0.433 53.606 54.000 0.064 0.000 0.950 411 D CB 0.773 41.621 40.800 0.080 0.000 1.197 411 D HN 0.390 nan 8.370 nan 0.000 0.550 412 K N 1.632 122.068 120.400 0.059 0.000 2.811 412 K HA 0.401 4.721 4.320 0.000 0.000 0.217 412 K C 1.034 177.666 176.600 0.054 0.000 1.115 412 K CA -0.017 56.305 56.287 0.059 0.000 1.179 412 K CB 0.681 33.210 32.500 0.049 0.000 0.994 412 K HN 0.584 nan 8.250 nan 0.000 0.464 413 G N 0.913 109.747 108.800 0.058 0.000 2.179 413 G HA2 -0.284 3.676 3.960 0.000 0.000 0.260 413 G HA3 -0.284 3.676 3.960 0.000 0.000 0.260 413 G C 0.622 175.548 174.900 0.044 0.000 0.977 413 G CA 0.451 45.581 45.100 0.050 0.000 0.641 413 G HN 0.446 nan 8.290 nan 0.000 0.533 414 D N -0.382 120.044 120.400 0.043 0.000 2.216 414 D HA 0.101 4.741 4.640 0.000 0.000 0.208 414 D C 1.499 177.821 176.300 0.037 0.000 0.960 414 D CA -0.034 53.988 54.000 0.035 0.000 0.861 414 D CB 0.083 40.902 40.800 0.032 0.000 0.985 414 D HN 0.379 nan 8.370 nan 0.000 0.493 415 L N 3.269 124.521 121.223 0.049 0.000 2.530 415 L HA 0.107 4.447 4.340 0.000 0.000 0.273 415 L C -2.099 174.800 176.870 0.048 0.000 1.141 415 L CA -1.163 53.706 54.840 0.049 0.000 0.905 415 L CB 0.637 42.739 42.059 0.071 0.000 1.202 415 L HN -0.171 nan 8.230 nan 0.000 0.473 416 P HA 0.025 nan 4.420 nan 0.000 0.268 416 P C 0.331 177.600 177.300 -0.051 0.000 1.204 416 P CA -0.221 62.876 63.100 -0.006 0.000 0.768 416 P CB 0.686 32.376 31.700 -0.017 0.000 0.842 417 K N 4.484 124.825 120.400 -0.099 0.000 2.074 417 K HA -0.177 4.143 4.320 0.000 0.000 0.209 417 K C -0.971 175.437 176.600 -0.320 0.000 1.048 417 K CA 1.959 58.047 56.287 -0.331 0.000 0.926 417 K CB -1.384 30.899 32.500 -0.362 0.000 0.713 417 K HN 0.334 nan 8.250 nan 0.000 0.444 418 P HA -0.151 nan 4.420 nan 0.000 0.216 418 P C 1.330 178.559 177.300 -0.118 0.000 1.150 418 P CA 1.068 64.084 63.100 -0.141 0.000 0.837 418 P CB 0.096 31.745 31.700 -0.085 0.000 0.786 419 V N -0.131 119.730 119.914 -0.089 0.000 2.379 419 V HA -0.164 3.956 4.120 0.000 0.000 0.245 419 V C 2.438 178.488 176.094 -0.073 0.000 1.044 419 V CA 1.982 64.248 62.300 -0.057 0.000 1.036 419 V CB -1.723 30.087 31.823 -0.023 0.000 0.664 419 V HN 0.086 nan 8.190 nan 0.000 0.453 420 A N -0.055 122.712 122.820 -0.088 0.000 1.972 420 A HA -0.112 4.208 4.320 0.000 0.000 0.219 420 A C 2.174 179.701 177.584 -0.094 0.000 1.169 420 A CA 1.517 53.525 52.037 -0.048 0.000 0.635 420 A CB -0.484 18.549 19.000 0.055 0.000 0.810 420 A HN 0.520 nan 8.150 nan 0.000 0.446 421 L N -0.581 120.529 121.223 -0.190 0.000 2.217 421 L HA -0.031 4.309 4.340 0.000 0.000 0.211 421 L C 0.637 177.413 176.870 -0.156 0.000 1.107 421 L CA 0.482 55.224 54.840 -0.163 0.000 0.783 421 L CB -0.326 41.618 42.059 -0.191 0.000 0.919 421 L HN 0.229 nan 8.230 nan 0.000 0.442 422 E N 1.886 121.975 120.200 -0.185 0.000 2.122 422 E HA 0.024 4.374 4.350 0.000 0.000 0.288 422 E C -0.460 175.887 176.600 -0.423 0.000 1.260 422 E CA -0.062 56.139 56.400 -0.330 0.000 1.344 422 E CB -0.179 29.379 29.700 -0.237 0.000 1.337 422 E HN 0.305 nan 8.360 nan 0.000 0.484 423 D N -0.274 119.942 120.400 -0.308 0.000 2.741 423 D HA 0.014 4.654 4.640 0.000 0.000 0.233 423 D C 0.600 176.805 176.300 -0.159 0.000 1.160 423 D CA -0.436 53.455 54.000 -0.180 0.000 1.003 423 D CB -0.206 40.540 40.800 -0.090 0.000 1.064 423 D HN 0.255 nan 8.370 nan 0.000 0.503 424 H N -0.004 119.049 119.070 -0.029 0.000 2.387 424 H HA -0.097 4.459 4.556 0.000 0.000 0.299 424 H C 1.620 176.926 175.328 -0.037 0.000 1.090 424 H CA 1.938 57.963 56.048 -0.039 0.000 1.332 424 H CB 0.297 30.038 29.762 -0.036 0.000 1.386 424 H HN 0.236 nan 8.280 nan 0.000 0.516 425 T N 0.305 114.913 114.554 0.090 0.000 2.708 425 T HA -0.196 4.154 4.350 0.000 0.000 0.266 425 T C 1.955 176.687 174.700 0.053 0.000 1.037 425 T CA 1.477 63.611 62.100 0.056 0.000 1.146 425 T CB -0.148 68.734 68.868 0.024 0.000 0.865 425 T HN 0.342 nan 8.240 nan 0.000 0.435 426 R N 0.415 120.916 120.500 0.002 0.000 2.073 426 R HA -0.072 4.268 4.340 0.000 0.000 0.234 426 R C 2.413 178.743 176.300 0.051 0.000 1.134 426 R CA 1.207 57.309 56.100 0.003 0.000 0.952 426 R CB -0.517 29.757 30.300 -0.044 0.000 0.850 426 R HN 0.275 nan 8.270 nan 0.000 0.433 427 L N 1.494 122.712 121.223 -0.009 0.000 2.017 427 L HA -0.177 4.163 4.340 0.000 0.000 0.208 427 L C 1.743 178.519 176.870 -0.157 0.000 1.073 427 L CA 2.390 57.171 54.840 -0.099 0.000 0.745 427 L CB -0.856 41.128 42.059 -0.125 0.000 0.894 427 L HN 0.257 nan 8.230 nan 0.000 0.432 428 D N -1.988 118.370 120.400 -0.071 0.000 2.123 428 D HA -0.324 4.316 4.640 0.000 0.000 0.196 428 D C 2.159 178.467 176.300 0.013 0.000 0.992 428 D CA 1.608 55.565 54.000 -0.071 0.000 0.833 428 D CB -0.340 40.449 40.800 -0.019 0.000 0.954 428 D HN 0.502 nan 8.370 nan 0.000 0.455 429 Y N 0.721 121.020 120.300 -0.001 0.000 2.128 429 Y HA -0.144 4.406 4.550 0.000 0.000 0.284 429 Y C 2.082 178.106 175.900 0.207 0.000 1.154 429 Y CA 1.649 59.830 58.100 0.135 0.000 1.149 429 Y CB -0.352 38.175 38.460 0.112 0.000 0.976 429 Y HN 0.059 nan 8.280 nan 0.000 0.505 430 I N 0.027 120.788 120.570 0.319 0.000 2.142 430 I HA -0.374 3.796 4.170 0.000 0.000 0.240 430 I C 2.418 178.495 176.117 -0.066 0.000 1.078 430 I CA 1.807 63.224 61.300 0.196 0.000 1.343 430 I CB -0.554 37.531 38.000 0.142 0.000 1.046 430 I HN 0.314 nan 8.210 nan 0.000 0.405 431 Q N 0.281 119.912 119.800 -0.281 0.000 2.096 431 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 431 Q C 2.379 178.261 176.000 -0.196 0.000 0.982 431 Q CA 1.498 57.063 55.803 -0.398 0.000 0.850 431 Q CB -0.135 28.257 28.738 -0.577 0.000 0.901 431 Q HN 0.450 nan 8.270 nan 0.000 0.422 432 R N -0.700 119.704 120.500 -0.161 0.000 2.090 432 R HA -0.093 4.247 4.340 0.000 0.000 0.228 432 R C 1.915 178.074 176.300 -0.235 0.000 1.110 432 R CA 1.213 57.197 56.100 -0.193 0.000 0.973 432 R CB -0.151 30.004 30.300 -0.242 0.000 0.869 432 R HN 0.393 nan 8.270 nan 0.000 0.440 433 H N 0.352 119.335 119.070 -0.146 0.000 2.389 433 H HA -0.033 4.523 4.556 0.000 0.000 0.299 433 H C 1.952 177.277 175.328 -0.004 0.000 1.081 433 H CA 1.219 57.228 56.048 -0.064 0.000 1.345 433 H CB -0.009 29.748 29.762 -0.008 0.000 1.393 433 H HN 0.062 nan 8.280 nan 0.000 0.520 434 L N -0.742 120.498 121.223 0.028 0.000 2.093 434 L HA -0.180 4.160 4.340 0.000 0.000 0.208 434 L C 2.589 179.629 176.870 0.284 0.000 1.085 434 L CA 1.174 56.064 54.840 0.084 0.000 0.755 434 L CB -0.388 41.634 42.059 -0.062 0.000 0.904 434 L HN 0.279 nan 8.230 nan 0.000 0.435 435 S N -0.257 115.542 115.700 0.165 0.000 2.356 435 S HA -0.161 4.309 4.470 0.000 0.000 0.223 435 S C 1.958 176.631 174.600 0.121 0.000 1.032 435 S CA 1.456 59.786 58.200 0.217 0.000 1.005 435 S CB -0.137 63.131 63.200 0.113 0.000 0.867 435 S HN 0.186 nan 8.310 nan 0.000 0.449 436 V N 1.971 121.904 119.914 0.032 0.000 2.427 436 V HA -0.084 4.036 4.120 0.000 0.000 0.248 436 V C 2.400 178.548 176.094 0.090 0.000 1.051 436 V CA 1.589 63.889 62.300 0.000 0.000 1.048 436 V CB -0.597 31.172 31.823 -0.089 0.000 0.666 436 V HN 0.503 nan 8.190 nan 0.000 0.456 437 L N 0.116 121.441 121.223 0.170 0.000 2.046 437 L HA -0.219 4.121 4.340 0.000 0.000 0.208 437 L C 2.645 179.649 176.870 0.223 0.000 1.077 437 L CA 2.099 57.090 54.840 0.252 0.000 0.747 437 L CB -0.335 41.950 42.059 0.375 0.000 0.896 437 L HN 0.358 nan 8.230 nan 0.000 0.432 438 K N 0.198 120.707 120.400 0.183 0.000 2.057 438 K HA -0.229 4.091 4.320 0.000 0.000 0.207 438 K C 1.981 178.542 176.600 -0.066 0.000 1.049 438 K CA 1.653 57.892 56.287 -0.080 0.000 0.931 438 K CB -0.199 32.224 32.500 -0.129 0.000 0.714 438 K HN 0.351 nan 8.250 nan 0.000 0.440 439 Q N -0.248 119.540 119.800 -0.020 0.000 2.084 439 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 439 Q C 2.173 178.199 176.000 0.043 0.000 0.978 439 Q CA 1.843 57.627 55.803 -0.032 0.000 0.844 439 Q CB -0.039 28.668 28.738 -0.052 0.000 0.898 439 Q HN 0.313 nan 8.270 nan 0.000 0.426 440 S N 0.706 116.470 115.700 0.107 0.000 2.368 440 S HA -0.080 4.390 4.470 0.000 0.000 0.224 440 S C 1.946 176.598 174.600 0.087 0.000 1.029 440 S CA 0.818 59.100 58.200 0.137 0.000 0.988 440 S CB -0.138 63.145 63.200 0.137 0.000 0.838 440 S HN 0.274 nan 8.310 nan 0.000 0.462 441 I N 1.838 122.456 120.570 0.081 0.000 2.226 441 I HA -0.199 3.971 4.170 0.000 0.000 0.245 441 I C 1.886 178.014 176.117 0.019 0.000 1.100 441 I CA 1.122 62.462 61.300 0.067 0.000 1.374 441 I CB -0.393 37.654 38.000 0.077 0.000 1.057 441 I HN 0.149 nan 8.210 nan 0.000 0.413 442 D N 0.735 121.122 120.400 -0.022 0.000 2.178 442 D HA -0.119 4.521 4.640 0.000 0.000 0.201 442 D C 2.017 178.312 176.300 -0.009 0.000 0.980 442 D CA 1.203 55.178 54.000 -0.042 0.000 0.842 442 D CB -0.136 40.611 40.800 -0.089 0.000 0.948 442 D HN 0.311 nan 8.370 nan 0.000 0.472 443 L N -0.888 120.347 121.223 0.020 0.000 2.599 443 L HA 0.185 4.526 4.340 0.000 0.000 0.230 443 L C 1.454 178.345 176.870 0.034 0.000 1.141 443 L CA 0.378 55.240 54.840 0.035 0.000 0.877 443 L CB 0.140 42.244 42.059 0.075 0.000 1.009 443 L HN 0.156 nan 8.230 nan 0.000 0.447 444 G N -0.562 108.258 108.800 0.035 0.000 2.179 444 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 444 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 444 G C 0.399 175.328 174.900 0.049 0.000 0.990 444 G CA -0.167 44.956 45.100 0.039 0.000 0.646 444 G HN 0.439 nan 8.290 nan 0.000 0.517 445 A N 0.408 123.260 122.820 0.054 0.000 2.520 445 A HA 0.475 4.795 4.320 0.000 0.000 0.245 445 A C 0.545 178.175 177.584 0.076 0.000 1.072 445 A CA 0.775 52.848 52.037 0.061 0.000 0.761 445 A CB 0.309 19.345 19.000 0.060 0.000 1.004 445 A HN 0.359 nan 8.150 nan 0.000 0.499 446 D N 2.887 123.328 120.400 0.068 0.000 2.688 446 D HA 0.283 4.923 4.640 0.000 0.000 0.228 446 D C -0.388 175.929 176.300 0.028 0.000 1.116 446 D CA 0.179 54.215 54.000 0.060 0.000 1.023 446 D CB -0.401 40.433 40.800 0.057 0.000 1.100 446 D HN 0.128 nan 8.370 nan 0.000 0.487 447 V N 2.843 122.802 119.914 0.076 0.000 2.481 447 V HA 0.376 4.496 4.120 0.000 0.000 0.286 447 V C 1.409 177.517 176.094 0.023 0.000 1.042 447 V CA -0.468 61.853 62.300 0.035 0.000 0.928 447 V CB 1.794 33.731 31.823 0.189 0.000 0.986 447 V HN 0.286 nan 8.190 nan 0.000 0.462 448 R N 2.425 122.640 120.500 -0.475 0.000 2.509 448 R HA 0.461 4.801 4.340 0.000 0.000 0.297 448 R C 0.496 176.033 176.300 -1.272 0.000 0.951 448 R CA 0.225 55.928 56.100 -0.661 0.000 1.103 448 R CB 1.497 31.436 30.300 -0.601 0.000 1.283 448 R HN 0.852 nan 8.270 nan 0.000 0.534 449 G N 0.215 108.221 108.800 -1.323 0.000 2.523 449 G HA2 0.313 4.273 3.960 0.000 0.000 0.291 449 G HA3 0.313 4.273 3.960 0.000 0.000 0.291 449 G C -2.397 172.217 174.900 -0.477 0.000 1.450 449 G CA -0.531 43.855 45.100 -1.189 0.000 0.790 449 G HN 0.058 nan 8.290 nan 0.000 0.496 450 Y N 0.114 120.043 120.300 -0.618 0.000 2.396 450 Y HA 0.737 5.287 4.550 0.000 0.000 0.332 450 Y C -1.894 173.825 175.900 -0.302 0.000 1.034 450 Y CA -1.454 56.528 58.100 -0.196 0.000 1.057 450 Y CB 1.656 40.078 38.460 -0.064 0.000 1.220 450 Y HN 0.432 nan 8.280 nan 0.000 0.440 451 F N 5.058 124.738 119.950 -0.449 0.000 2.449 451 F HA 0.719 5.246 4.527 0.000 0.000 0.342 451 F C 0.315 175.855 175.800 -0.433 0.000 1.127 451 F CA -0.848 56.979 58.000 -0.288 0.000 0.975 451 F CB 1.665 40.572 39.000 -0.155 0.000 1.146 451 F HN 0.700 nan 8.300 nan 0.000 0.444 452 A N 4.310 127.098 122.820 -0.054 0.000 2.450 452 A HA 0.118 4.438 4.320 0.000 0.000 0.255 452 A C -0.748 176.931 177.584 0.157 0.000 1.096 452 A CA -0.388 51.680 52.037 0.053 0.000 0.778 452 A CB 0.220 19.348 19.000 0.213 0.000 1.031 452 A HN 0.872 nan 8.150 nan 0.000 0.494 453 W N 3.968 125.315 121.300 0.077 0.000 2.342 453 W HA 0.494 5.154 4.660 -0.000 0.000 0.310 453 W C -0.337 176.320 176.519 0.230 0.000 1.128 453 W CA -0.073 57.363 57.345 0.152 0.000 1.322 453 W CB 1.344 30.928 29.460 0.208 0.000 1.251 453 W HN 0.706 nan 8.180 nan 0.000 0.439 454 S N 4.975 120.508 115.700 -0.277 0.000 2.667 454 S HA 0.311 4.781 4.470 0.000 0.000 0.292 454 S C 0.733 175.164 174.600 -0.281 0.000 1.126 454 S CA -0.831 56.928 58.200 -0.735 0.000 0.881 454 S CB 1.629 63.993 63.200 -1.394 0.000 1.132 454 S HN 0.600 nan 8.310 nan 0.000 0.492 455 L N 1.270 122.361 121.223 -0.221 0.000 2.042 455 L HA 0.133 4.473 4.340 0.000 0.000 0.210 455 L C -0.372 176.434 176.870 -0.106 0.000 1.076 455 L CA 1.532 56.318 54.840 -0.089 0.000 0.749 455 L CB -0.185 41.855 42.059 -0.032 0.000 0.893 455 L HN 0.566 nan 8.230 nan 0.000 0.432 456 L N -0.368 120.757 121.223 -0.164 0.000 2.370 456 L HA 0.339 4.679 4.340 0.000 0.000 0.266 456 L C -0.770 176.032 176.870 -0.114 0.000 1.002 456 L CA -1.168 53.603 54.840 -0.115 0.000 0.818 456 L CB 1.712 43.711 42.059 -0.099 0.000 1.325 456 L HN -0.143 nan 8.230 nan 0.000 0.418 457 D N 2.876 123.237 120.400 -0.065 0.000 2.488 457 D HA 0.136 4.776 4.640 0.000 0.000 0.238 457 D C -0.386 175.912 176.300 -0.003 0.000 1.138 457 D CA 0.620 54.605 54.000 -0.025 0.000 0.873 457 D CB 0.436 41.183 40.800 -0.089 0.000 1.183 457 D HN 0.684 nan 8.370 nan 0.000 0.458 458 N N 0.097 118.835 118.700 0.062 0.000 3.364 458 N HA 0.176 4.916 4.740 0.000 0.000 0.294 458 N C -1.180 174.375 175.510 0.074 0.000 1.562 458 N CA -0.785 52.313 53.050 0.081 0.000 0.862 458 N CB 0.562 39.008 38.487 -0.067 0.000 1.691 458 N HN 0.202 nan 8.380 nan 0.000 0.572 459 F N 1.604 121.400 119.950 -0.257 0.000 2.468 459 F HA 0.193 4.720 4.527 0.000 0.000 0.356 459 F C 0.698 176.117 175.800 -0.636 0.000 1.167 459 F CA -0.307 57.302 58.000 -0.652 0.000 1.135 459 F CB 0.426 39.046 39.000 -0.634 0.000 1.197 459 F HN 0.560 nan 8.300 nan 0.000 0.569 460 E N 7.224 126.929 120.200 -0.825 0.000 2.392 460 E HA 0.147 4.497 4.350 0.000 0.000 0.307 460 E C -0.107 176.119 176.600 -0.623 0.000 1.505 460 E CA 0.017 56.049 56.400 -0.614 0.000 1.716 460 E CB -0.581 29.018 29.700 -0.168 0.000 1.450 460 E HN 0.736 nan 8.360 nan 0.000 0.484 461 W N 0.298 121.107 121.300 -0.817 0.000 2.259 461 W HA -0.461 4.199 4.660 -0.000 0.000 0.293 461 W C 1.873 178.194 176.519 -0.330 0.000 1.351 461 W CA 1.085 58.101 57.345 -0.548 0.000 1.295 461 W CB -1.658 27.715 29.460 -0.145 0.000 0.892 461 W HN 0.215 nan 8.180 nan 0.000 0.520 462 S N -0.065 115.864 115.700 0.382 0.000 2.561 462 S HA -0.029 4.441 4.470 0.000 0.000 0.225 462 S C 1.208 175.904 174.600 0.158 0.000 0.977 462 S CA 1.074 59.494 58.200 0.367 0.000 0.926 462 S CB -0.262 63.192 63.200 0.424 0.000 0.769 462 S HN 0.351 nan 8.310 nan 0.000 0.533 463 S N 0.746 116.466 115.700 0.032 0.000 2.593 463 S HA 0.340 4.810 4.470 0.000 0.000 0.217 463 S C 1.560 176.082 174.600 -0.130 0.000 0.966 463 S CA 0.269 58.473 58.200 0.006 0.000 0.914 463 S CB -0.206 63.038 63.200 0.073 0.000 0.776 463 S HN 0.721 nan 8.310 nan 0.000 0.523 464 G N 1.635 110.181 108.800 -0.423 0.000 2.611 464 G HA2 -0.342 3.618 3.960 0.000 0.000 0.301 464 G HA3 -0.342 3.618 3.960 0.000 0.000 0.301 464 G C 0.162 174.696 174.900 -0.611 0.000 1.233 464 G CA 0.690 45.432 45.100 -0.597 0.000 0.993 464 G HN 0.517 nan 8.290 nan 0.000 0.553 465 Y N 1.897 122.212 120.300 0.025 0.000 2.493 465 Y HA 0.298 4.848 4.550 -0.000 0.000 0.275 465 Y C 2.797 178.716 175.900 0.031 0.000 1.183 465 Y CA 1.068 59.186 58.100 0.031 0.000 1.258 465 Y CB 0.093 38.588 38.460 0.058 0.000 1.108 465 Y HN 0.638 nan 8.280 nan 0.000 0.521 466 T N -2.907 111.710 114.554 0.105 0.000 3.085 466 T HA 0.022 4.372 4.350 0.000 0.000 0.263 466 T C 0.376 175.131 174.700 0.091 0.000 1.127 466 T CA 0.340 62.500 62.100 0.099 0.000 1.103 466 T CB -0.091 68.826 68.868 0.082 0.000 0.921 466 T HN 0.268 nan 8.240 nan 0.000 0.510 467 E N 1.038 121.304 120.200 0.110 0.000 2.185 467 E HA 0.425 4.775 4.350 0.000 0.000 0.261 467 E C -0.872 175.843 176.600 0.191 0.000 0.879 467 E CA -0.637 55.847 56.400 0.141 0.000 0.756 467 E CB 1.712 31.580 29.700 0.279 0.000 1.152 467 E HN 0.248 nan 8.360 nan 0.000 0.416 468 R N 2.667 123.214 120.500 0.079 0.000 2.215 468 R HA 0.272 4.612 4.340 0.000 0.000 0.336 468 R C -0.185 176.136 176.300 0.034 0.000 0.996 468 R CA -0.224 55.931 56.100 0.092 0.000 0.847 468 R CB 0.536 30.862 30.300 0.044 0.000 1.127 468 R HN 0.532 nan 8.270 nan 0.000 0.465 469 F N 0.415 120.380 119.950 0.024 0.000 2.695 469 F HA 0.228 4.755 4.527 0.000 0.000 0.303 469 F C 1.623 177.403 175.800 -0.032 0.000 1.091 469 F CA -0.252 57.776 58.000 0.047 0.000 1.300 469 F CB 0.709 39.839 39.000 0.217 0.000 1.071 469 F HN 0.573 nan 8.300 nan 0.000 0.578 470 G N 0.853 109.700 108.800 0.079 0.000 2.527 470 G HA2 0.311 4.271 3.960 0.000 0.000 0.248 470 G HA3 0.311 4.271 3.960 0.000 0.000 0.248 470 G C 1.121 176.034 174.900 0.022 0.000 1.231 470 G CA -0.399 44.702 45.100 0.002 0.000 0.838 470 G HN 0.395 nan 8.290 nan 0.000 0.570 471 I N -1.290 119.291 120.570 0.017 0.000 3.419 471 I HA 0.241 4.411 4.170 0.000 0.000 0.286 471 I C -0.227 175.912 176.117 0.036 0.000 1.268 471 I CA 0.034 61.357 61.300 0.039 0.000 1.414 471 I CB 0.010 38.046 38.000 0.060 0.000 1.074 471 I HN -0.004 nan 8.210 nan 0.000 0.457 472 V N 1.374 121.302 119.914 0.023 0.000 2.448 472 V HA 0.267 4.387 4.120 0.000 0.000 0.295 472 V C -0.759 175.375 176.094 0.066 0.000 1.025 472 V CA -0.719 61.603 62.300 0.037 0.000 0.859 472 V CB 1.404 33.227 31.823 -0.001 0.000 0.988 472 V HN 0.190 nan 8.190 nan 0.000 0.431 473 Y N 4.880 125.163 120.300 -0.028 0.000 2.442 473 Y HA 0.438 4.988 4.550 0.000 0.000 0.330 473 Y C -0.071 175.814 175.900 -0.025 0.000 1.129 473 Y CA 0.179 58.265 58.100 -0.023 0.000 1.365 473 Y CB 1.090 39.535 38.460 -0.025 0.000 1.233 473 Y HN 0.406 nan 8.280 nan 0.000 0.529 474 V N 6.693 126.341 119.914 -0.443 0.000 2.384 474 V HA 0.148 4.268 4.120 0.000 0.000 0.287 474 V C -0.650 175.135 176.094 -0.515 0.000 1.020 474 V CA -0.908 61.194 62.300 -0.329 0.000 0.850 474 V CB 1.453 33.150 31.823 -0.210 0.000 0.987 474 V HN 0.691 nan 8.190 nan 0.000 0.436 475 D N 4.093 124.354 120.400 -0.230 0.000 2.479 475 D HA 0.255 4.895 4.640 0.000 0.000 0.218 475 D C 1.154 177.389 176.300 -0.109 0.000 1.131 475 D CA -0.231 53.701 54.000 -0.114 0.000 0.916 475 D CB 0.762 41.637 40.800 0.124 0.000 1.022 475 D HN 0.387 nan 8.370 nan 0.000 0.515 476 R N 1.686 122.085 120.500 -0.169 0.000 2.148 476 R HA -0.029 4.311 4.340 0.000 0.000 0.223 476 R C 1.296 177.534 176.300 -0.102 0.000 1.088 476 R CA 0.888 56.888 56.100 -0.167 0.000 0.985 476 R CB 0.350 30.486 30.300 -0.274 0.000 0.880 476 R HN 0.483 nan 8.270 nan 0.000 0.451 477 E N -0.094 120.066 120.200 -0.067 0.000 2.418 477 E HA -0.044 4.306 4.350 0.000 0.000 0.197 477 E C -0.019 176.568 176.600 -0.021 0.000 1.026 477 E CA 0.417 56.796 56.400 -0.035 0.000 0.862 477 E CB 0.214 29.907 29.700 -0.012 0.000 0.799 477 E HN 0.226 nan 8.360 nan 0.000 0.518 478 N N 0.034 118.722 118.700 -0.020 0.000 2.696 478 N HA 0.103 4.843 4.740 0.000 0.000 0.308 478 N C -0.134 175.365 175.510 -0.020 0.000 1.915 478 N CA 0.242 53.286 53.050 -0.011 0.000 0.906 478 N CB 1.463 39.955 38.487 0.010 0.000 1.284 478 N HN 0.153 nan 8.380 nan 0.000 0.488 479 G N 0.285 109.066 108.800 -0.031 0.000 2.225 479 G HA2 -0.363 3.597 3.960 0.000 0.000 0.267 479 G HA3 -0.363 3.597 3.960 0.000 0.000 0.267 479 G C 0.688 175.568 174.900 -0.034 0.000 1.024 479 G CA 0.092 45.173 45.100 -0.032 0.000 0.784 479 G HN 0.560 nan 8.290 nan 0.000 0.507 480 C N -0.524 118.746 119.300 -0.050 0.000 4.331 480 C HA -0.164 4.296 4.460 0.000 0.000 0.293 480 C C 1.267 176.233 174.990 -0.041 0.000 1.436 480 C CA 1.074 60.055 59.018 -0.062 0.000 1.993 480 C CB -2.239 25.470 27.740 -0.051 0.000 1.266 480 C HN 1.304 nan 8.230 nan 0.000 0.795 481 E N 0.706 120.894 120.200 -0.021 0.000 2.413 481 E HA 0.321 4.671 4.350 0.000 0.000 0.263 481 E C 0.195 176.805 176.600 0.017 0.000 1.015 481 E CA 0.153 56.551 56.400 -0.003 0.000 0.916 481 E CB 0.580 30.284 29.700 0.007 0.000 0.947 481 E HN 0.528 nan 8.360 nan 0.000 0.440 482 R N 2.161 122.667 120.500 0.010 0.000 2.407 482 R HA 0.419 4.759 4.340 0.000 0.000 0.303 482 R C -0.917 175.412 176.300 0.049 0.000 0.981 482 R CA -0.287 55.828 56.100 0.025 0.000 0.905 482 R CB 2.214 32.507 30.300 -0.012 0.000 1.099 482 R HN 0.520 nan 8.270 nan 0.000 0.459 483 T N 3.130 117.741 114.554 0.095 0.000 2.928 483 T HA 0.320 4.670 4.350 0.000 0.000 0.296 483 T C -0.124 174.610 174.700 0.056 0.000 1.000 483 T CA -0.758 61.379 62.100 0.062 0.000 0.989 483 T CB 1.114 70.014 68.868 0.053 0.000 1.005 483 T HN 0.347 nan 8.240 nan 0.000 0.442 484 M N 3.225 122.836 119.600 0.019 0.000 2.251 484 M HA 0.156 4.636 4.480 0.000 0.000 0.343 484 M C 0.690 176.996 176.300 0.009 0.000 1.245 484 M CA 0.432 55.741 55.300 0.015 0.000 1.061 484 M CB 0.389 32.990 32.600 0.002 0.000 1.723 484 M HN 0.404 nan 8.290 nan 0.000 0.449 485 K N 1.507 121.918 120.400 0.019 0.000 2.179 485 K HA 0.238 4.558 4.320 0.000 0.000 0.238 485 K C 0.854 177.449 176.600 -0.009 0.000 1.033 485 K CA -0.751 55.532 56.287 -0.006 0.000 0.926 485 K CB 0.605 33.109 32.500 0.007 0.000 1.151 485 K HN 0.420 nan 8.250 nan 0.000 0.492 486 R N 0.981 121.455 120.500 -0.043 0.000 2.105 486 R HA -0.160 4.180 4.340 0.000 0.000 0.239 486 R C 2.265 178.593 176.300 0.047 0.000 1.135 486 R CA 2.254 58.340 56.100 -0.023 0.000 0.967 486 R CB -0.486 29.746 30.300 -0.113 0.000 0.861 486 R HN 0.779 nan 8.270 nan 0.000 0.442 487 S N -0.391 115.329 115.700 0.035 0.000 2.359 487 S HA -0.165 4.305 4.470 0.000 0.000 0.224 487 S C 2.206 176.898 174.600 0.153 0.000 1.035 487 S CA 1.099 59.358 58.200 0.099 0.000 1.018 487 S CB -0.671 62.568 63.200 0.065 0.000 0.876 487 S HN 0.381 nan 8.310 nan 0.000 0.448 488 A N 2.534 125.410 122.820 0.092 0.000 1.933 488 A HA -0.052 4.268 4.320 0.000 0.000 0.218 488 A C 2.388 180.012 177.584 0.066 0.000 1.175 488 A CA 1.236 53.318 52.037 0.074 0.000 0.628 488 A CB -0.544 18.480 19.000 0.039 0.000 0.814 488 A HN 0.423 nan 8.150 nan 0.000 0.444 489 R N -1.837 118.705 120.500 0.069 0.000 2.092 489 R HA -0.171 4.169 4.340 0.000 0.000 0.231 489 R C 1.910 178.256 176.300 0.077 0.000 1.119 489 R CA 1.365 57.497 56.100 0.053 0.000 0.970 489 R CB -0.869 29.458 30.300 0.045 0.000 0.864 489 R HN 0.825 nan 8.270 nan 0.000 0.440 490 W N 1.603 122.889 121.300 -0.022 0.000 2.355 490 W HA -0.127 4.533 4.660 0.000 0.000 0.309 490 W C 1.852 178.362 176.519 -0.015 0.000 1.206 490 W CA 1.252 58.583 57.345 -0.024 0.000 1.284 490 W CB -0.425 29.007 29.460 -0.046 0.000 1.145 490 W HN -0.044 nan 8.180 nan 0.000 0.502 491 L N 0.333 121.568 121.223 0.019 0.000 2.083 491 L HA -0.280 4.060 4.340 0.000 0.000 0.209 491 L C 2.747 179.514 176.870 -0.171 0.000 1.083 491 L CA 1.969 56.712 54.840 -0.160 0.000 0.752 491 L CB -1.067 41.013 42.059 0.035 0.000 0.899 491 L HN 0.164 nan 8.230 nan 0.000 0.433 492 Q N 0.293 120.030 119.800 -0.105 0.000 2.050 492 Q HA -0.294 4.046 4.340 0.000 0.000 0.202 492 Q C 2.140 178.046 176.000 -0.156 0.000 0.980 492 Q CA 2.150 57.894 55.803 -0.099 0.000 0.840 492 Q CB -0.043 28.660 28.738 -0.057 0.000 0.898 492 Q HN 0.532 nan 8.270 nan 0.000 0.424 493 E N -0.484 119.593 120.200 -0.205 0.000 2.031 493 E HA -0.220 4.130 4.350 0.000 0.000 0.193 493 E C 1.831 178.226 176.600 -0.342 0.000 0.994 493 E CA 1.136 57.392 56.400 -0.240 0.000 0.800 493 E CB -0.395 29.169 29.700 -0.227 0.000 0.752 493 E HN 0.461 nan 8.360 nan 0.000 0.447 494 F N 2.140 121.634 119.950 -0.759 0.000 2.087 494 F HA -0.269 4.258 4.527 0.000 0.000 0.299 494 F C 1.905 177.374 175.800 -0.553 0.000 1.100 494 F CA 1.983 59.471 58.000 -0.853 0.000 1.226 494 F CB -0.247 37.898 39.000 -1.424 0.000 0.983 494 F HN 0.067 nan 8.300 nan 0.000 0.479 495 N N 0.815 119.307 118.700 -0.347 0.000 2.520 495 N HA 0.078 4.818 4.740 0.000 0.000 0.185 495 N C 1.054 176.408 175.510 -0.261 0.000 1.068 495 N CA 1.083 53.946 53.050 -0.311 0.000 0.911 495 N CB -0.664 37.750 38.487 -0.122 0.000 0.961 495 N HN 0.551 nan 8.380 nan 0.000 0.446 496 G N 0.000 108.650 108.800 -0.251 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 44.991 45.100 -0.181 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925