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 1gnx_1_B DATA FIRST_RESID 15 DATA SEQUENCE ALTFPEGFLW GSATASYQIE GAAAEDGRTP SIWDTYARTP GRVRNGDTGD DATA SEQUENCE VATDHYHRWR EDVALMAELG LGAYRFSLAW PRIQPTGRGP ALQKGLDFYR DATA SEQUENCE RLADELLAKG IQPVATLYHW DLPQELENAG GWPERATAER FAEYAAIAAD DATA SEQUENCE ALGDRVKTWT TLNEPWCSAF LGYGSGVHAP GRTDPVAALR AAHHLNLGHG DATA SEQUENCE LAVQALRDRL PADAQCSVTL NIHHVRPLTD SDADADAVRR IDALANRVFT DATA SEQUENCE GPMLQGAYPE DLVKDTAGLT DWSFVRDGDL RLAHQKLDFL GVNYYSPTLV DATA SEQUENCE SXXXXXXXXX XXXXXXXXHS PWPGADRVAF HQPPGETTAM GWAVDPSGLY DATA SEQUENCE ELLRRLSSDF PALPLVITEN GAAFHDYADP EGNVNDPERI AYVRDHLAAV DATA SEQUENCE HRAIKDGSDV RGYFLWSLLD NFEWAHGYSK RFGAVYVDYP TGTRIPKASA DATA SEQUENCE RWYAEVARTG VLPTA 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.519 177.584 -0.108 0.000 1.274 15 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 15 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 16 L N 1.750 122.872 121.223 -0.169 0.000 2.313 16 L HA 0.622 4.963 4.340 0.002 0.000 0.283 16 L C -0.176 176.564 176.870 -0.218 0.000 1.013 16 L CA -0.566 54.024 54.840 -0.416 0.000 0.816 16 L CB 2.205 43.759 42.059 -0.842 0.000 1.236 16 L HN 0.750 nan 8.230 nan 0.000 0.419 17 T N 2.552 117.050 114.554 -0.094 0.000 2.749 17 T HA 0.490 4.841 4.350 0.002 0.000 0.287 17 T C -0.256 174.556 174.700 0.188 0.000 0.970 17 T CA -0.291 61.871 62.100 0.104 0.000 0.980 17 T CB 0.552 69.468 68.868 0.080 0.000 0.924 17 T HN 0.058 nan 8.240 nan 0.000 0.456 18 F N 3.240 123.280 119.950 0.149 0.000 2.380 18 F HA 0.398 4.926 4.527 0.002 0.000 0.325 18 F C -1.677 174.163 175.800 0.066 0.000 1.136 18 F CA -2.230 55.808 58.000 0.063 0.000 1.171 18 F CB 0.062 39.032 39.000 -0.051 0.000 1.230 18 F HN 0.347 nan 8.300 nan 0.000 0.554 19 P HA -0.042 nan 4.420 nan 0.000 0.264 19 P C 0.531 177.973 177.300 0.236 0.000 1.183 19 P CA 0.252 63.450 63.100 0.163 0.000 0.763 19 P CB 0.389 32.182 31.700 0.156 0.000 0.807 20 E N 2.479 122.782 120.200 0.171 0.000 2.219 20 E HA -0.185 4.166 4.350 0.002 0.000 0.198 20 E C 1.572 178.275 176.600 0.170 0.000 0.998 20 E CA 1.648 58.148 56.400 0.168 0.000 0.818 20 E CB -0.772 28.993 29.700 0.108 0.000 0.741 20 E HN 0.580 nan 8.360 nan 0.000 0.477 21 G N 0.189 109.078 108.800 0.148 0.000 2.985 21 G HA2 -0.046 3.915 3.960 0.002 0.000 0.209 21 G HA3 -0.046 3.915 3.960 0.002 0.000 0.209 21 G C 0.071 175.025 174.900 0.090 0.000 1.165 21 G CA -0.567 44.595 45.100 0.104 0.000 0.776 21 G HN 0.262 nan 8.290 nan 0.000 0.541 22 F N 1.064 120.995 119.950 -0.031 0.000 2.623 22 F HA 0.277 4.805 4.527 0.001 0.000 0.383 22 F C 0.299 175.880 175.800 -0.366 0.000 1.077 22 F CA -0.906 56.975 58.000 -0.198 0.000 1.268 22 F CB 0.706 39.581 39.000 -0.208 0.000 1.053 22 F HN -0.062 nan 8.300 nan 0.000 0.571 23 L N 7.515 128.220 121.223 -0.863 0.000 2.276 23 L HA 0.318 4.659 4.340 0.002 0.000 0.286 23 L C -1.606 174.750 176.870 -0.857 0.000 1.061 23 L CA -0.365 54.093 54.840 -0.638 0.000 0.807 23 L CB 0.395 42.177 42.059 -0.462 0.000 1.177 23 L HN 0.560 nan 8.230 nan 0.000 0.429 24 W N 4.995 126.121 121.300 -0.290 0.000 2.417 24 W HA 0.734 5.394 4.660 0.001 0.000 0.315 24 W C 0.416 176.730 176.519 -0.341 0.000 1.045 24 W CA -0.370 56.825 57.345 -0.249 0.000 1.221 24 W CB 1.856 31.188 29.460 -0.214 0.000 1.309 24 W HN 0.775 nan 8.180 nan 0.000 0.453 25 G N 0.908 109.559 108.800 -0.248 0.000 2.870 25 G HA2 0.701 4.662 3.960 0.002 0.000 0.299 25 G HA3 0.701 4.662 3.960 0.002 0.000 0.299 25 G C -1.126 173.903 174.900 0.214 0.000 1.324 25 G CA -0.895 44.081 45.100 -0.206 0.000 0.808 25 G HN 0.463 nan 8.290 nan 0.000 0.535 26 S N -1.815 114.137 115.700 0.419 0.000 2.595 26 S HA 0.898 5.369 4.470 0.002 0.000 0.281 26 S C -0.536 174.346 174.600 0.470 0.000 1.117 26 S CA -0.042 58.402 58.200 0.407 0.000 0.873 26 S CB 1.830 65.221 63.200 0.318 0.000 1.108 26 S HN 2.123 nan 8.310 nan 0.000 0.477 27 A N 0.938 123.899 122.820 0.235 0.000 2.454 27 A HA 0.999 5.320 4.320 0.002 0.000 0.302 27 A C -0.069 177.379 177.584 -0.227 0.000 1.079 27 A CA -0.448 51.657 52.037 0.113 0.000 0.731 27 A CB 1.496 20.666 19.000 0.284 0.000 1.299 27 A HN 1.821 nan 8.150 nan 0.000 0.413 28 T N -2.252 112.231 114.554 -0.119 0.000 2.754 28 T HA 0.883 5.234 4.350 0.002 0.000 0.296 28 T C -0.537 174.210 174.700 0.078 0.000 1.205 28 T CA -0.138 61.836 62.100 -0.210 0.000 1.009 28 T CB 1.398 70.212 68.868 -0.091 0.000 1.368 28 T HN 2.270 nan 8.240 nan 0.000 0.509 29 A N 0.481 123.308 122.820 0.010 0.000 2.475 29 A HA 0.747 5.068 4.320 0.002 0.000 0.301 29 A C 1.176 178.733 177.584 -0.046 0.000 1.059 29 A CA -0.105 51.825 52.037 -0.179 0.000 0.710 29 A CB 1.420 19.921 19.000 -0.832 0.000 1.288 29 A HN 1.559 nan 8.150 nan 0.000 0.408 30 S N 1.075 116.825 115.700 0.084 0.000 2.369 30 S HA -0.301 4.170 4.470 0.002 0.000 0.225 30 S C 1.687 176.361 174.600 0.122 0.000 1.043 30 S CA 2.237 60.557 58.200 0.201 0.000 1.074 30 S CB -0.891 62.501 63.200 0.319 0.000 0.962 30 S HN 1.050 nan 8.310 nan 0.000 0.433 31 Y N 2.616 122.911 120.300 -0.008 0.000 2.352 31 Y HA 0.017 4.568 4.550 0.001 0.000 0.292 31 Y C 2.606 178.357 175.900 -0.248 0.000 1.136 31 Y CA 1.391 59.438 58.100 -0.088 0.000 1.227 31 Y CB -0.486 37.973 38.460 -0.002 0.000 0.991 31 Y HN 0.393 nan 8.280 nan 0.000 0.545 32 Q N -0.490 119.102 119.800 -0.346 0.000 2.230 32 Q HA -0.053 4.288 4.340 0.002 0.000 0.202 32 Q C 1.900 177.778 176.000 -0.203 0.000 0.963 32 Q CA 1.802 57.366 55.803 -0.399 0.000 0.866 32 Q CB 0.075 28.550 28.738 -0.438 0.000 0.931 32 Q HN 0.759 nan 8.270 nan 0.000 0.452 33 I N -4.402 116.087 120.570 -0.136 0.000 4.433 33 I HA 0.146 4.317 4.170 0.002 0.000 0.322 33 I C 1.461 177.598 176.117 0.033 0.000 1.284 33 I CA -0.024 61.252 61.300 -0.040 0.000 1.269 33 I CB 0.155 38.107 38.000 -0.079 0.000 1.219 33 I HN -0.124 nan 8.210 nan 0.000 0.436 34 E N 2.577 122.796 120.200 0.033 0.000 2.051 34 E HA 0.098 4.449 4.350 0.002 0.000 0.192 34 E C 1.522 178.101 176.600 -0.035 0.000 0.991 34 E CA 1.210 57.661 56.400 0.085 0.000 0.799 34 E CB -0.306 29.436 29.700 0.071 0.000 0.748 34 E HN 0.685 nan 8.360 nan 0.000 0.449 35 G N 0.502 109.215 108.800 -0.145 0.000 2.562 35 G HA2 -0.246 3.715 3.960 0.002 0.000 0.250 35 G HA3 -0.246 3.715 3.960 0.002 0.000 0.250 35 G C 0.385 175.151 174.900 -0.224 0.000 1.269 35 G CA 0.208 45.209 45.100 -0.166 0.000 0.919 35 G HN 1.013 nan 8.290 nan 0.000 0.574 36 A N -2.117 120.571 122.820 -0.219 0.000 2.596 36 A HA 0.132 4.453 4.320 0.002 0.000 0.300 36 A C 2.387 179.800 177.584 -0.286 0.000 1.495 36 A CA 1.828 53.692 52.037 -0.288 0.000 0.769 36 A CB -1.584 17.072 19.000 -0.573 0.000 1.047 36 A HN 2.702 nan 8.150 nan 0.000 0.436 37 A N -0.955 121.772 122.820 -0.155 0.000 2.024 37 A HA 0.273 4.594 4.320 0.002 0.000 0.220 37 A C 1.903 179.446 177.584 -0.069 0.000 1.164 37 A CA 1.993 53.983 52.037 -0.079 0.000 0.643 37 A CB -0.271 18.731 19.000 0.004 0.000 0.806 37 A HN 2.272 nan 8.150 nan 0.000 0.451 38 A N -0.659 122.117 122.820 -0.074 0.000 2.606 38 A HA 0.427 4.748 4.320 0.002 0.000 0.290 38 A C 0.117 177.667 177.584 -0.058 0.000 1.174 38 A CA -0.409 51.598 52.037 -0.049 0.000 0.958 38 A CB 0.191 19.179 19.000 -0.019 0.000 1.194 38 A HN 0.482 nan 8.150 nan 0.000 0.526 39 E N 0.520 120.651 120.200 -0.116 0.000 2.250 39 E HA 0.330 4.681 4.350 0.002 0.000 0.269 39 E C -0.702 175.841 176.600 -0.096 0.000 1.018 39 E CA -0.917 55.434 56.400 -0.083 0.000 0.873 39 E CB 0.619 30.279 29.700 -0.067 0.000 1.134 39 E HN 0.209 nan 8.360 nan 0.000 0.403 40 D N 0.897 121.297 120.400 0.001 0.000 2.811 40 D HA -0.220 4.421 4.640 0.002 0.000 0.231 40 D C 0.783 177.098 176.300 0.025 0.000 1.157 40 D CA 1.590 55.614 54.000 0.040 0.000 0.716 40 D CB -1.292 39.570 40.800 0.103 0.000 1.077 40 D HN 0.934 nan 8.370 nan 0.000 0.428 41 G N -0.227 108.579 108.800 0.009 0.000 2.195 41 G HA2 -0.382 3.578 3.960 0.002 0.000 0.246 41 G HA3 -0.382 3.578 3.960 0.002 0.000 0.246 41 G C 0.372 175.276 174.900 0.007 0.000 0.984 41 G CA 0.345 45.455 45.100 0.017 0.000 0.633 41 G HN 0.642 nan 8.290 nan 0.000 0.525 42 R N 1.681 122.166 120.500 -0.024 0.000 2.489 42 R HA 0.464 4.805 4.340 0.002 0.000 0.287 42 R C 0.710 177.001 176.300 -0.016 0.000 1.053 42 R CA 0.953 57.039 56.100 -0.022 0.000 1.036 42 R CB 0.200 30.453 30.300 -0.079 0.000 0.966 42 R HN 0.394 nan 8.270 nan 0.000 0.432 43 T N 2.031 116.581 114.554 -0.006 0.000 2.942 43 T HA 0.478 4.829 4.350 0.002 0.000 0.289 43 T C -2.589 172.104 174.700 -0.012 0.000 1.044 43 T CA -2.350 59.742 62.100 -0.014 0.000 1.023 43 T CB 1.737 70.590 68.868 -0.025 0.000 1.123 43 T HN 0.395 nan 8.240 nan 0.000 0.512 44 P HA 0.126 nan 4.420 nan 0.000 0.261 44 P C -0.085 177.196 177.300 -0.033 0.000 1.173 44 P CA 0.086 63.179 63.100 -0.012 0.000 0.760 44 P CB 0.284 31.974 31.700 -0.018 0.000 0.783 45 S N 2.661 118.348 115.700 -0.022 0.000 2.745 45 S HA 0.337 4.808 4.470 0.002 0.000 0.292 45 S C 1.470 176.044 174.600 -0.043 0.000 1.133 45 S CA -0.724 57.463 58.200 -0.023 0.000 0.998 45 S CB 0.446 63.663 63.200 0.028 0.000 1.087 45 S HN 0.466 nan 8.310 nan 0.000 0.551 46 I N -2.910 117.635 120.570 -0.042 0.000 2.423 46 I HA -0.034 4.137 4.170 0.002 0.000 0.254 46 I C 1.694 177.709 176.117 -0.170 0.000 1.151 46 I CA 1.132 62.359 61.300 -0.121 0.000 1.421 46 I CB -0.457 37.439 38.000 -0.173 0.000 1.079 46 I HN 0.626 nan 8.210 nan 0.000 0.431 47 W N 2.120 123.327 121.300 -0.155 0.000 2.518 47 W HA -0.042 4.620 4.660 0.003 0.000 0.273 47 W C 1.955 178.351 176.519 -0.206 0.000 1.247 47 W CA 1.206 58.446 57.345 -0.176 0.000 1.288 47 W CB -0.171 29.084 29.460 -0.341 0.000 1.107 47 W HN 0.176 nan 8.180 nan 0.000 0.586 48 D N -1.052 119.303 120.400 -0.075 0.000 2.097 48 D HA -0.168 4.473 4.640 0.002 0.000 0.197 48 D C 2.131 178.469 176.300 0.063 0.000 0.984 48 D CA 2.142 56.166 54.000 0.039 0.000 0.826 48 D CB -0.588 40.237 40.800 0.041 0.000 0.973 48 D HN -0.068 nan 8.370 nan 0.000 0.460 49 T N -0.443 114.120 114.554 0.015 0.000 2.746 49 T HA -0.194 4.157 4.350 0.002 0.000 0.267 49 T C 1.665 176.373 174.700 0.014 0.000 1.039 49 T CA 0.898 62.997 62.100 -0.001 0.000 1.142 49 T CB -0.507 68.339 68.868 -0.037 0.000 0.866 49 T HN 0.180 nan 8.240 nan 0.000 0.444 50 Y N 2.003 122.212 120.300 -0.152 0.000 2.145 50 Y HA -0.014 4.537 4.550 0.002 0.000 0.286 50 Y C 2.571 178.454 175.900 -0.028 0.000 1.145 50 Y CA 0.860 58.840 58.100 -0.199 0.000 1.148 50 Y CB -0.725 37.426 38.460 -0.515 0.000 0.981 50 Y HN 0.186 nan 8.280 nan 0.000 0.507 51 A N 0.048 122.985 122.820 0.195 0.000 2.019 51 A HA -0.150 4.171 4.320 0.002 0.000 0.219 51 A C 2.259 179.897 177.584 0.089 0.000 1.164 51 A CA 1.416 53.598 52.037 0.240 0.000 0.644 51 A CB -0.531 18.719 19.000 0.416 0.000 0.805 51 A HN 0.472 nan 8.150 nan 0.000 0.449 52 R N -0.390 120.138 120.500 0.046 0.000 2.276 52 R HA 0.000 4.341 4.340 0.002 0.000 0.203 52 R C -0.192 176.087 176.300 -0.036 0.000 1.017 52 R CA 0.583 56.692 56.100 0.015 0.000 1.010 52 R CB -0.173 30.135 30.300 0.015 0.000 0.900 52 R HN 0.374 nan 8.270 nan 0.000 0.469 53 T N 3.285 117.779 114.554 -0.101 0.000 2.737 53 T HA 0.178 4.529 4.350 0.002 0.000 0.296 53 T C -2.406 172.210 174.700 -0.140 0.000 0.922 53 T CA -1.291 60.722 62.100 -0.144 0.000 1.079 53 T CB 1.367 70.092 68.868 -0.240 0.000 0.892 53 T HN -0.045 nan 8.240 nan 0.000 0.514 54 P HA 0.169 nan 4.420 nan 0.000 0.261 54 P C 1.108 178.360 177.300 -0.080 0.000 1.183 54 P CA 0.930 63.993 63.100 -0.061 0.000 0.761 54 P CB 0.232 31.908 31.700 -0.039 0.000 0.785 55 G N 3.249 112.012 108.800 -0.061 0.000 2.199 55 G HA2 -0.282 3.679 3.960 0.002 0.000 0.254 55 G HA3 -0.282 3.679 3.960 0.002 0.000 0.254 55 G C 1.387 176.234 174.900 -0.090 0.000 0.982 55 G CA -0.212 44.853 45.100 -0.057 0.000 0.632 55 G HN 0.442 nan 8.290 nan 0.000 0.529 56 R N -0.252 120.139 120.500 -0.183 0.000 2.100 56 R HA 0.298 4.639 4.340 0.002 0.000 0.220 56 R C 0.979 177.222 176.300 -0.095 0.000 1.091 56 R CA 1.191 57.103 56.100 -0.313 0.000 0.986 56 R CB -0.198 29.548 30.300 -0.924 0.000 0.888 56 R HN 0.468 nan 8.270 nan 0.000 0.444 57 V N 1.583 121.494 119.914 -0.005 0.000 2.680 57 V HA 0.276 4.397 4.120 0.002 0.000 0.309 57 V C -0.051 176.091 176.094 0.079 0.000 1.052 57 V CA -1.304 61.069 62.300 0.123 0.000 0.908 57 V CB 2.356 34.351 31.823 0.288 0.000 1.001 57 V HN 0.041 nan 8.190 nan 0.000 0.431 58 R N 4.491 125.024 120.500 0.056 0.000 2.481 58 R HA -0.041 4.300 4.340 0.002 0.000 0.291 58 R C 0.967 177.315 176.300 0.081 0.000 0.934 58 R CA 1.017 57.149 56.100 0.055 0.000 1.116 58 R CB -0.703 29.630 30.300 0.054 0.000 0.895 58 R HN 0.789 nan 8.270 nan 0.000 0.410 59 N N 2.863 121.605 118.700 0.071 0.000 2.678 59 N HA -0.226 4.515 4.740 0.002 0.000 0.250 59 N C 0.535 176.097 175.510 0.087 0.000 1.136 59 N CA 1.762 54.858 53.050 0.077 0.000 0.757 59 N CB -1.299 37.242 38.487 0.090 0.000 1.135 59 N HN 1.001 nan 8.380 nan 0.000 0.565 60 G N -0.516 108.338 108.800 0.089 0.000 2.153 60 G HA2 -0.306 3.655 3.960 0.002 0.000 0.252 60 G HA3 -0.306 3.655 3.960 0.002 0.000 0.252 60 G C -0.238 174.753 174.900 0.151 0.000 0.994 60 G CA 0.460 45.617 45.100 0.096 0.000 0.698 60 G HN 0.504 nan 8.290 nan 0.000 0.521 61 D N 0.625 121.149 120.400 0.207 0.000 2.400 61 D HA 0.523 5.164 4.640 0.002 0.000 0.238 61 D C 1.105 177.630 176.300 0.375 0.000 1.157 61 D CA 1.403 55.590 54.000 0.310 0.000 0.889 61 D CB 1.166 42.165 40.800 0.332 0.000 1.199 61 D HN 0.644 nan 8.370 nan 0.000 0.436 62 T N -2.944 111.757 114.554 0.246 0.000 2.841 62 T HA 0.592 4.943 4.350 0.002 0.000 0.296 62 T C 0.674 175.093 174.700 -0.468 0.000 1.166 62 T CA -0.898 61.169 62.100 -0.056 0.000 1.007 62 T CB 1.529 70.423 68.868 0.042 0.000 1.253 62 T HN 0.180 nan 8.240 nan 0.000 0.511 63 G N 0.069 108.330 108.800 -0.899 0.000 3.383 63 G HA2 0.191 4.152 3.960 0.002 0.000 0.251 63 G HA3 0.191 4.152 3.960 0.002 0.000 0.251 63 G C 0.565 175.145 174.900 -0.533 0.000 1.203 63 G CA -0.209 44.214 45.100 -1.128 0.000 0.852 63 G HN 0.750 nan 8.290 nan 0.000 0.531 64 D N 0.277 120.544 120.400 -0.223 0.000 2.133 64 D HA -0.123 4.518 4.640 0.002 0.000 0.195 64 D C 2.375 178.607 176.300 -0.114 0.000 0.997 64 D CA 1.097 55.034 54.000 -0.106 0.000 0.840 64 D CB 0.323 41.101 40.800 -0.036 0.000 0.947 64 D HN 0.285 nan 8.370 nan 0.000 0.452 65 V N -0.552 119.299 119.914 -0.106 0.000 3.013 65 V HA 0.321 4.442 4.120 0.002 0.000 0.238 65 V C 1.334 177.386 176.094 -0.071 0.000 1.161 65 V CA 0.670 62.926 62.300 -0.072 0.000 1.170 65 V CB 0.035 31.829 31.823 -0.047 0.000 0.917 65 V HN 0.323 nan 8.190 nan 0.000 0.478 66 A N 1.482 124.259 122.820 -0.071 0.000 5.395 66 A HA -0.435 3.885 4.320 0.002 0.000 0.324 66 A C 1.725 179.359 177.584 0.083 0.000 1.813 66 A CA 2.877 54.934 52.037 0.032 0.000 0.714 66 A CB -2.145 16.828 19.000 -0.046 0.000 1.374 66 A HN 1.154 nan 8.150 nan 0.000 0.390 67 T N -2.712 111.925 114.554 0.138 0.000 3.086 67 T HA 0.396 4.747 4.350 0.002 0.000 0.250 67 T C 0.494 175.268 174.700 0.123 0.000 1.074 67 T CA 1.558 63.751 62.100 0.155 0.000 0.988 67 T CB 0.052 69.006 68.868 0.144 0.000 0.988 67 T HN 1.943 nan 8.240 nan 0.000 0.530 68 D N 0.842 121.302 120.400 0.099 0.000 2.870 68 D HA -0.260 4.381 4.640 0.002 0.000 0.228 68 D C 0.541 176.934 176.300 0.156 0.000 1.147 68 D CA 0.944 55.007 54.000 0.104 0.000 0.757 68 D CB -2.008 38.868 40.800 0.127 0.000 1.091 68 D HN 0.740 nan 8.370 nan 0.000 0.429 69 H N -0.991 118.134 119.070 0.091 0.000 2.421 69 H HA -0.180 4.377 4.556 0.002 0.000 0.298 69 H C 1.780 177.259 175.328 0.253 0.000 1.087 69 H CA 1.740 57.892 56.048 0.173 0.000 1.330 69 H CB -0.179 29.692 29.762 0.181 0.000 1.388 69 H HN 0.599 nan 8.280 nan 0.000 0.526 70 Y N 0.850 121.101 120.300 -0.081 0.000 2.241 70 Y HA -0.276 4.275 4.550 0.002 0.000 0.286 70 Y C 1.955 177.819 175.900 -0.060 0.000 1.166 70 Y CA 2.294 60.154 58.100 -0.400 0.000 1.203 70 Y CB -0.158 37.904 38.460 -0.662 0.000 0.977 70 Y HN 0.406 nan 8.280 nan 0.000 0.529 71 H N -1.734 117.418 119.070 0.137 0.000 2.418 71 H HA 0.202 4.759 4.556 0.002 0.000 0.300 71 H C 1.532 176.890 175.328 0.049 0.000 1.041 71 H CA 0.464 56.574 56.048 0.102 0.000 1.364 71 H CB 0.201 30.014 29.762 0.085 0.000 1.439 71 H HN 0.090 nan 8.280 nan 0.000 0.540 72 R N 1.656 122.234 120.500 0.130 0.000 2.388 72 R HA -0.027 4.314 4.340 0.002 0.000 0.247 72 R C 1.145 177.330 176.300 -0.191 0.000 0.931 72 R CA 0.031 56.098 56.100 -0.055 0.000 1.082 72 R CB 0.016 30.323 30.300 0.011 0.000 1.135 72 R HN 0.547 nan 8.270 nan 0.000 0.525 73 W N 1.405 122.520 121.300 -0.308 0.000 2.292 73 W HA -0.252 4.409 4.660 0.001 0.000 0.304 73 W C 0.847 177.236 176.519 -0.216 0.000 1.228 73 W CA 0.887 57.952 57.345 -0.468 0.000 1.241 73 W CB -0.870 28.224 29.460 -0.610 0.000 1.142 73 W HN 0.039 nan 8.180 nan 0.000 0.520 74 R N 1.020 120.860 120.500 -1.100 0.000 2.120 74 R HA -0.186 4.155 4.340 0.002 0.000 0.234 74 R C 2.395 178.457 176.300 -0.397 0.000 1.123 74 R CA 2.091 57.663 56.100 -0.880 0.000 0.975 74 R CB -0.568 29.086 30.300 -1.076 0.000 0.866 74 R HN 0.413 nan 8.270 nan 0.000 0.446 75 E N 0.747 120.761 120.200 -0.310 0.000 2.106 75 E HA -0.191 4.160 4.350 0.002 0.000 0.192 75 E C 0.920 177.457 176.600 -0.104 0.000 0.984 75 E CA 1.359 57.656 56.400 -0.172 0.000 0.806 75 E CB 0.117 29.739 29.700 -0.130 0.000 0.750 75 E HN 0.238 nan 8.360 nan 0.000 0.458 76 D N 0.325 120.688 120.400 -0.062 0.000 2.149 76 D HA -0.110 4.531 4.640 0.002 0.000 0.201 76 D C 2.117 178.366 176.300 -0.084 0.000 0.972 76 D CA 0.909 54.899 54.000 -0.017 0.000 0.835 76 D CB -0.027 40.852 40.800 0.132 0.000 0.966 76 D HN 0.128 nan 8.370 nan 0.000 0.476 77 V N 1.572 121.432 119.914 -0.091 0.000 2.427 77 V HA -0.196 3.925 4.120 0.002 0.000 0.248 77 V C 2.545 178.585 176.094 -0.090 0.000 1.051 77 V CA 1.622 63.856 62.300 -0.110 0.000 1.048 77 V CB -0.708 31.085 31.823 -0.049 0.000 0.666 77 V HN 0.159 nan 8.190 nan 0.000 0.456 78 A N -0.217 122.545 122.820 -0.097 0.000 1.933 78 A HA -0.144 4.177 4.320 0.002 0.000 0.218 78 A C 2.213 179.760 177.584 -0.061 0.000 1.175 78 A CA 1.666 53.654 52.037 -0.082 0.000 0.628 78 A CB -0.473 18.468 19.000 -0.099 0.000 0.814 78 A HN 0.505 nan 8.150 nan 0.000 0.444 79 L N -1.257 119.932 121.223 -0.058 0.000 2.056 79 L HA -0.192 4.149 4.340 0.002 0.000 0.207 79 L C 2.850 179.703 176.870 -0.028 0.000 1.078 79 L CA 1.391 56.209 54.840 -0.037 0.000 0.749 79 L CB -0.495 41.548 42.059 -0.027 0.000 0.901 79 L HN 0.426 nan 8.230 nan 0.000 0.433 80 M N -0.559 119.014 119.600 -0.044 0.000 2.108 80 M HA -0.213 4.268 4.480 0.002 0.000 0.261 80 M C 2.524 178.815 176.300 -0.014 0.000 1.066 80 M CA 2.000 57.285 55.300 -0.025 0.000 1.107 80 M CB -0.552 32.010 32.600 -0.064 0.000 1.356 80 M HN 0.317 nan 8.290 nan 0.000 0.406 81 A N -0.092 122.712 122.820 -0.027 0.000 1.902 81 A HA -0.206 4.115 4.320 0.002 0.000 0.217 81 A C 2.020 179.588 177.584 -0.027 0.000 1.181 81 A CA 1.860 53.884 52.037 -0.022 0.000 0.623 81 A CB -0.806 18.179 19.000 -0.026 0.000 0.818 81 A HN 0.582 nan 8.150 nan 0.000 0.443 82 E N -0.038 120.145 120.200 -0.029 0.000 2.110 82 E HA -0.151 4.200 4.350 0.002 0.000 0.193 82 E C 1.488 178.069 176.600 -0.032 0.000 0.988 82 E CA 1.047 57.429 56.400 -0.030 0.000 0.804 82 E CB -0.173 29.511 29.700 -0.027 0.000 0.745 82 E HN 0.642 nan 8.360 nan 0.000 0.458 83 L N -0.276 120.933 121.223 -0.024 0.000 2.599 83 L HA 0.162 4.503 4.340 0.002 0.000 0.230 83 L C 1.388 178.215 176.870 -0.071 0.000 1.141 83 L CA 0.344 55.165 54.840 -0.031 0.000 0.877 83 L CB -0.047 42.022 42.059 0.017 0.000 1.009 83 L HN 0.353 nan 8.230 nan 0.000 0.447 84 G N 0.994 109.759 108.800 -0.058 0.000 2.203 84 G HA2 -0.294 3.667 3.960 0.002 0.000 0.263 84 G HA3 -0.294 3.667 3.960 0.002 0.000 0.263 84 G C 0.301 175.162 174.900 -0.064 0.000 1.012 84 G CA -0.019 45.040 45.100 -0.068 0.000 0.749 84 G HN 0.284 nan 8.290 nan 0.000 0.512 85 L N -0.485 120.722 121.223 -0.028 0.000 2.456 85 L HA 0.438 4.779 4.340 0.002 0.000 0.272 85 L C 1.851 178.747 176.870 0.044 0.000 1.189 85 L CA 0.408 55.256 54.840 0.013 0.000 0.846 85 L CB 0.694 42.804 42.059 0.085 0.000 1.111 85 L HN 0.155 nan 8.230 nan 0.000 0.475 86 G N 1.401 110.236 108.800 0.059 0.000 2.744 86 G HA2 0.414 4.375 3.960 0.002 0.000 0.211 86 G HA3 0.414 4.375 3.960 0.002 0.000 0.211 86 G C 0.320 175.267 174.900 0.077 0.000 1.146 86 G CA 0.744 45.879 45.100 0.059 0.000 0.787 86 G HN 0.716 nan 8.290 nan 0.000 0.534 87 A N -0.959 121.919 122.820 0.098 0.000 2.606 87 A HA 0.698 5.019 4.320 0.002 0.000 0.293 87 A C -2.127 175.710 177.584 0.422 0.000 1.082 87 A CA -0.724 51.451 52.037 0.230 0.000 0.685 87 A CB 1.298 20.438 19.000 0.232 0.000 1.284 87 A HN 0.402 nan 8.150 nan 0.000 0.408 88 Y N 1.019 121.543 120.300 0.373 0.000 2.354 88 Y HA 0.634 5.185 4.550 0.002 0.000 0.330 88 Y C -0.198 175.966 175.900 0.439 0.000 1.011 88 Y CA -0.590 57.749 58.100 0.399 0.000 1.099 88 Y CB 1.265 39.895 38.460 0.284 0.000 1.179 88 Y HN 0.844 nan 8.280 nan 0.000 0.442 89 R N 7.402 127.874 120.500 -0.046 0.000 2.255 89 R HA 0.494 4.835 4.340 0.002 0.000 0.326 89 R C -1.790 174.201 176.300 -0.516 0.000 0.986 89 R CA -0.339 55.545 56.100 -0.361 0.000 0.847 89 R CB 0.517 30.529 30.300 -0.482 0.000 1.111 89 R HN 0.631 nan 8.270 nan 0.000 0.452 90 F N 0.681 120.295 119.950 -0.560 0.000 2.629 90 F HA 0.615 5.143 4.527 0.001 0.000 0.316 90 F C -0.909 174.805 175.800 -0.144 0.000 1.081 90 F CA -1.174 56.592 58.000 -0.391 0.000 0.954 90 F CB 1.444 40.213 39.000 -0.386 0.000 1.337 90 F HN 0.414 nan 8.300 nan 0.000 0.474 91 S N 1.476 117.232 115.700 0.092 0.000 2.578 91 S HA 0.781 5.252 4.470 0.002 0.000 0.301 91 S C -1.080 173.619 174.600 0.165 0.000 1.091 91 S CA -0.828 57.400 58.200 0.047 0.000 1.032 91 S CB 1.469 64.752 63.200 0.138 0.000 1.064 91 S HN 0.795 nan 8.310 nan 0.000 0.508 92 L N 2.072 123.309 121.223 0.023 0.000 2.289 92 L HA 0.616 4.957 4.340 0.002 0.000 0.285 92 L C 0.451 177.444 176.870 0.205 0.000 1.049 92 L CA -0.909 53.830 54.840 -0.168 0.000 0.804 92 L CB 1.279 43.205 42.059 -0.222 0.000 1.195 92 L HN 0.920 nan 8.230 nan 0.000 0.428 93 A N 2.905 125.920 122.820 0.324 0.000 2.343 93 A HA 0.040 4.361 4.320 0.002 0.000 0.305 93 A C 0.581 178.429 177.584 0.439 0.000 1.308 93 A CA -0.443 51.848 52.037 0.423 0.000 0.949 93 A CB -0.125 19.137 19.000 0.437 0.000 1.148 93 A HN 0.940 nan 8.150 nan 0.000 0.545 94 W N 4.949 126.337 121.300 0.147 0.000 2.321 94 W HA -0.088 4.573 4.660 0.002 0.000 0.306 94 W C -1.562 174.943 176.519 -0.024 0.000 1.217 94 W CA 1.874 59.120 57.345 -0.165 0.000 1.257 94 W CB -1.493 27.741 29.460 -0.376 0.000 1.145 94 W HN 0.546 nan 8.180 nan 0.000 0.509 95 P HA -0.163 nan 4.420 nan 0.000 0.219 95 P C 1.580 178.966 177.300 0.144 0.000 1.146 95 P CA 2.398 65.564 63.100 0.110 0.000 0.808 95 P CB -0.176 31.579 31.700 0.093 0.000 0.779 96 R N -1.289 119.346 120.500 0.225 0.000 2.127 96 R HA 0.139 4.480 4.340 0.002 0.000 0.217 96 R C 2.191 178.654 176.300 0.271 0.000 1.074 96 R CA 0.842 57.070 56.100 0.214 0.000 0.991 96 R CB -0.446 30.017 30.300 0.272 0.000 0.895 96 R HN 0.252 nan 8.270 nan 0.000 0.450 97 I N -0.299 120.485 120.570 0.357 0.000 2.480 97 I HA -0.114 4.057 4.170 0.002 0.000 0.251 97 I C 1.011 177.315 176.117 0.312 0.000 1.124 97 I CA 0.965 62.485 61.300 0.367 0.000 1.444 97 I CB 0.269 38.548 38.000 0.466 0.000 1.098 97 I HN 0.078 nan 8.210 nan 0.000 0.428 98 Q N -0.058 119.941 119.800 0.331 0.000 3.412 98 Q HA 0.196 4.537 4.340 0.002 0.000 0.219 98 Q C -2.094 173.976 176.000 0.116 0.000 0.913 98 Q CA -1.512 54.449 55.803 0.263 0.000 0.722 98 Q CB 1.418 30.406 28.738 0.417 0.000 1.385 98 Q HN -0.088 nan 8.270 nan 0.000 0.461 99 P HA -0.280 nan 4.420 nan 0.000 0.222 99 P C 1.012 178.253 177.300 -0.097 0.000 1.159 99 P CA 2.442 65.536 63.100 -0.010 0.000 0.920 99 P CB 0.144 31.851 31.700 0.010 0.000 0.793 100 T N -6.287 108.214 114.554 -0.088 0.000 3.107 100 T HA 0.374 4.725 4.350 0.002 0.000 0.249 100 T C 1.454 176.015 174.700 -0.231 0.000 1.096 100 T CA 0.449 62.466 62.100 -0.138 0.000 1.012 100 T CB -0.511 68.309 68.868 -0.079 0.000 0.977 100 T HN 0.310 nan 8.240 nan 0.000 0.527 101 G N 2.116 110.742 108.800 -0.291 0.000 2.176 101 G HA2 -0.247 3.714 3.960 0.002 0.000 0.253 101 G HA3 -0.247 3.714 3.960 0.002 0.000 0.253 101 G C 0.087 175.004 174.900 0.028 0.000 0.979 101 G CA 0.173 45.014 45.100 -0.430 0.000 0.641 101 G HN 1.016 nan 8.290 nan 0.000 0.530 102 R N -1.683 118.844 120.500 0.045 0.000 2.747 102 R HA 0.708 5.049 4.340 0.002 0.000 0.272 102 R C 0.729 177.075 176.300 0.076 0.000 1.032 102 R CA 0.114 56.267 56.100 0.088 0.000 0.896 102 R CB 0.664 30.983 30.300 0.031 0.000 1.253 102 R HN 1.882 nan 8.270 nan 0.000 0.461 103 G N 0.417 109.260 108.800 0.071 0.000 2.632 103 G HA2 -0.147 3.814 3.960 0.002 0.000 0.224 103 G HA3 -0.147 3.814 3.960 0.002 0.000 0.224 103 G C -2.393 172.554 174.900 0.078 0.000 1.341 103 G CA -0.360 44.776 45.100 0.059 0.000 0.880 103 G HN 0.754 nan 8.290 nan 0.000 0.566 104 P HA 0.482 nan 4.420 nan 0.000 0.268 104 P C 0.033 177.394 177.300 0.102 0.000 1.204 104 P CA 0.863 64.007 63.100 0.075 0.000 0.768 104 P CB 0.828 32.564 31.700 0.059 0.000 0.842 105 A N 4.468 127.356 122.820 0.113 0.000 2.331 105 A HA 0.410 4.731 4.320 0.002 0.000 0.283 105 A C 0.323 177.986 177.584 0.132 0.000 1.142 105 A CA -0.746 51.379 52.037 0.146 0.000 0.812 105 A CB 0.024 19.114 19.000 0.149 0.000 1.074 105 A HN 0.588 nan 8.150 nan 0.000 0.497 106 L N 2.686 124.000 121.223 0.151 0.000 2.313 106 L HA 0.125 4.466 4.340 0.002 0.000 0.282 106 L C 1.202 178.162 176.870 0.150 0.000 1.092 106 L CA -0.601 54.320 54.840 0.135 0.000 0.831 106 L CB 1.053 43.193 42.059 0.135 0.000 1.159 106 L HN 0.810 nan 8.230 nan 0.000 0.442 107 Q N 2.183 122.057 119.800 0.123 0.000 2.170 107 Q HA -0.151 4.190 4.340 0.002 0.000 0.203 107 Q C 1.744 177.825 176.000 0.135 0.000 0.976 107 Q CA 1.372 57.248 55.803 0.121 0.000 0.858 107 Q CB 0.036 28.829 28.738 0.093 0.000 0.907 107 Q HN 0.539 nan 8.270 nan 0.000 0.433 108 K N -0.428 120.053 120.400 0.134 0.000 2.097 108 K HA -0.110 4.211 4.320 0.002 0.000 0.206 108 K C 2.050 178.770 176.600 0.200 0.000 1.049 108 K CA 1.196 57.573 56.287 0.149 0.000 0.933 108 K CB -0.272 32.312 32.500 0.141 0.000 0.717 108 K HN 0.284 nan 8.250 nan 0.000 0.442 109 G N 1.034 109.968 108.800 0.224 0.000 2.404 109 G HA2 -0.211 3.750 3.960 0.002 0.000 0.215 109 G HA3 -0.211 3.750 3.960 0.002 0.000 0.215 109 G C 1.448 176.583 174.900 0.392 0.000 1.174 109 G CA 0.433 45.719 45.100 0.309 0.000 0.780 109 G HN 0.100 nan 8.290 nan 0.000 0.537 110 L N 0.456 121.877 121.223 0.330 0.000 2.083 110 L HA -0.066 4.275 4.340 0.002 0.000 0.209 110 L C 2.461 179.471 176.870 0.232 0.000 1.083 110 L CA 1.062 56.100 54.840 0.329 0.000 0.752 110 L CB -0.347 41.849 42.059 0.229 0.000 0.899 110 L HN 0.097 nan 8.230 nan 0.000 0.433 111 D N -0.359 120.133 120.400 0.153 0.000 2.178 111 D HA -0.215 4.426 4.640 0.002 0.000 0.201 111 D C 1.850 178.117 176.300 -0.055 0.000 0.980 111 D CA 1.035 55.070 54.000 0.059 0.000 0.842 111 D CB -0.138 40.700 40.800 0.063 0.000 0.948 111 D HN 0.218 nan 8.370 nan 0.000 0.472 112 F N 0.479 120.303 119.950 -0.210 0.000 2.102 112 F HA -0.241 4.287 4.527 0.002 0.000 0.298 112 F C 1.913 177.336 175.800 -0.629 0.000 1.105 112 F CA 1.441 59.118 58.000 -0.540 0.000 1.239 112 F CB -0.655 37.994 39.000 -0.585 0.000 0.991 112 F HN -0.012 nan 8.300 nan 0.000 0.474 113 Y N -0.037 120.109 120.300 -0.256 0.000 2.373 113 Y HA -0.039 4.512 4.550 0.001 0.000 0.293 113 Y C 2.582 178.326 175.900 -0.260 0.000 1.129 113 Y CA 1.105 59.021 58.100 -0.307 0.000 1.226 113 Y CB -0.459 38.049 38.460 0.080 0.000 1.000 113 Y HN -0.057 nan 8.280 nan 0.000 0.549 114 R N 0.101 120.573 120.500 -0.047 0.000 2.066 114 R HA -0.117 4.224 4.340 0.002 0.000 0.232 114 R C 2.302 178.514 176.300 -0.147 0.000 1.131 114 R CA 1.382 57.462 56.100 -0.032 0.000 0.955 114 R CB -0.265 30.042 30.300 0.012 0.000 0.851 114 R HN 0.296 nan 8.270 nan 0.000 0.432 115 R N 0.424 120.751 120.500 -0.290 0.000 2.081 115 R HA -0.145 4.196 4.340 0.002 0.000 0.235 115 R C 2.337 178.364 176.300 -0.454 0.000 1.131 115 R CA 1.204 57.102 56.100 -0.336 0.000 0.960 115 R CB -0.498 29.524 30.300 -0.463 0.000 0.856 115 R HN 0.125 nan 8.270 nan 0.000 0.436 116 L N 0.806 121.539 121.223 -0.817 0.000 1.994 116 L HA -0.123 4.218 4.340 0.002 0.000 0.208 116 L C 2.277 178.986 176.870 -0.268 0.000 1.071 116 L CA 2.130 56.558 54.840 -0.685 0.000 0.745 116 L CB -0.736 40.738 42.059 -0.975 0.000 0.892 116 L HN 0.122 nan 8.230 nan 0.000 0.431 117 A N -0.809 121.891 122.820 -0.199 0.000 1.908 117 A HA -0.236 4.085 4.320 0.002 0.000 0.218 117 A C 2.015 179.604 177.584 0.009 0.000 1.181 117 A CA 1.968 53.990 52.037 -0.024 0.000 0.627 117 A CB -0.922 18.111 19.000 0.056 0.000 0.818 117 A HN 0.578 nan 8.150 nan 0.000 0.445 118 D N -0.799 119.596 120.400 -0.009 0.000 2.144 118 D HA -0.121 4.520 4.640 0.002 0.000 0.199 118 D C 1.921 178.248 176.300 0.045 0.000 0.984 118 D CA 1.589 55.603 54.000 0.025 0.000 0.834 118 D CB -0.256 40.556 40.800 0.021 0.000 0.955 118 D HN 0.571 nan 8.370 nan 0.000 0.465 119 E N 0.536 120.777 120.200 0.068 0.000 2.072 119 E HA -0.086 4.265 4.350 0.002 0.000 0.191 119 E C 2.235 178.873 176.600 0.062 0.000 0.985 119 E CA 0.625 57.086 56.400 0.102 0.000 0.801 119 E CB -0.315 29.537 29.700 0.252 0.000 0.750 119 E HN 0.217 nan 8.360 nan 0.000 0.452 120 L N -0.106 121.151 121.223 0.057 0.000 2.017 120 L HA -0.191 4.150 4.340 0.002 0.000 0.208 120 L C 2.541 179.450 176.870 0.066 0.000 1.073 120 L CA 1.116 55.995 54.840 0.065 0.000 0.745 120 L CB -0.476 41.647 42.059 0.107 0.000 0.894 120 L HN 0.209 nan 8.230 nan 0.000 0.432 121 L N -0.482 120.780 121.223 0.065 0.000 2.083 121 L HA -0.195 4.146 4.340 0.002 0.000 0.209 121 L C 2.808 179.705 176.870 0.044 0.000 1.083 121 L CA 1.073 55.949 54.840 0.059 0.000 0.752 121 L CB -0.729 41.364 42.059 0.058 0.000 0.899 121 L HN 0.257 nan 8.230 nan 0.000 0.433 122 A N -0.262 122.581 122.820 0.038 0.000 2.070 122 A HA -0.168 4.153 4.320 0.002 0.000 0.220 122 A C 1.966 179.562 177.584 0.020 0.000 1.159 122 A CA 1.397 53.450 52.037 0.027 0.000 0.656 122 A CB -0.224 18.790 19.000 0.025 0.000 0.800 122 A HN 0.354 nan 8.150 nan 0.000 0.453 123 K N -1.359 119.054 120.400 0.022 0.000 2.498 123 K HA 0.309 4.630 4.320 0.002 0.000 0.207 123 K C 0.704 177.317 176.600 0.022 0.000 1.033 123 K CA 0.311 56.606 56.287 0.013 0.000 1.138 123 K CB 0.176 32.677 32.500 0.002 0.000 0.860 123 K HN 0.529 nan 8.250 nan 0.000 0.490 124 G N 2.005 110.824 108.800 0.032 0.000 2.198 124 G HA2 -0.266 3.695 3.960 0.002 0.000 0.260 124 G HA3 -0.266 3.695 3.960 0.002 0.000 0.260 124 G C -0.014 174.918 174.900 0.052 0.000 1.025 124 G CA 0.055 45.178 45.100 0.038 0.000 0.769 124 G HN 0.314 nan 8.290 nan 0.000 0.507 125 I N 0.202 120.813 120.570 0.068 0.000 2.354 125 I HA 0.277 4.448 4.170 0.002 0.000 0.292 125 I C 0.658 176.854 176.117 0.132 0.000 0.989 125 I CA -0.672 60.689 61.300 0.101 0.000 1.188 125 I CB 1.772 39.838 38.000 0.109 0.000 1.342 125 I HN 0.176 nan 8.210 nan 0.000 0.457 126 Q N 8.054 127.940 119.800 0.143 0.000 2.286 126 Q HA 0.258 4.599 4.340 0.002 0.000 0.267 126 Q C -2.382 173.745 176.000 0.212 0.000 1.028 126 Q CA -1.537 54.355 55.803 0.148 0.000 0.901 126 Q CB 0.918 29.729 28.738 0.122 0.000 1.183 126 Q HN 0.278 nan 8.270 nan 0.000 0.392 127 P HA 0.108 nan 4.420 nan 0.000 0.281 127 P C -1.365 175.974 177.300 0.066 0.000 1.252 127 P CA -0.225 63.048 63.100 0.290 0.000 0.778 127 P CB 1.104 32.977 31.700 0.288 0.000 0.895 128 V N 3.197 123.077 119.914 -0.057 0.000 2.409 128 V HA 0.611 4.732 4.120 0.002 0.000 0.290 128 V C 0.058 175.665 176.094 -0.812 0.000 1.017 128 V CA -0.758 61.336 62.300 -0.344 0.000 0.841 128 V CB 1.325 33.002 31.823 -0.244 0.000 1.003 128 V HN 0.610 nan 8.190 nan 0.000 0.426 129 A N 3.417 125.630 122.820 -1.013 0.000 2.292 129 A HA 0.796 5.117 4.320 0.002 0.000 0.319 129 A C 0.181 177.370 177.584 -0.658 0.000 1.206 129 A CA -0.387 50.909 52.037 -1.234 0.000 0.835 129 A CB 0.866 19.053 19.000 -1.355 0.000 1.164 129 A HN 0.656 nan 8.150 nan 0.000 0.505 130 T N 3.632 117.903 114.554 -0.472 0.000 2.749 130 T HA 0.354 4.705 4.350 0.002 0.000 0.287 130 T C 1.407 176.111 174.700 0.006 0.000 0.970 130 T CA -0.302 61.712 62.100 -0.143 0.000 0.980 130 T CB 0.788 69.617 68.868 -0.064 0.000 0.924 130 T HN 0.494 nan 8.240 nan 0.000 0.456 131 L N 2.128 123.451 121.223 0.167 0.000 2.056 131 L HA 0.086 4.427 4.340 0.002 0.000 0.207 131 L C 0.383 177.622 176.870 0.615 0.000 1.078 131 L CA 1.173 56.192 54.840 0.299 0.000 0.749 131 L CB -0.029 42.172 42.059 0.237 0.000 0.901 131 L HN 0.618 nan 8.230 nan 0.000 0.433 132 Y N -0.939 119.617 120.300 0.427 0.000 2.327 132 Y HA 0.278 4.829 4.550 0.001 0.000 0.325 132 Y C -0.339 175.729 175.900 0.280 0.000 0.999 132 Y CA -0.818 57.537 58.100 0.425 0.000 1.195 132 Y CB 0.802 39.467 38.460 0.341 0.000 1.132 132 Y HN -0.007 nan 8.280 nan 0.000 0.455 133 H N 6.604 125.504 119.070 -0.284 0.000 2.500 133 H HA 0.190 4.746 4.556 0.001 0.000 0.243 133 H C -0.767 174.227 175.328 -0.557 0.000 1.318 133 H CA -0.292 55.488 56.048 -0.447 0.000 1.077 133 H CB 0.044 29.640 29.762 -0.278 0.000 1.748 133 H HN 0.891 nan 8.280 nan 0.000 0.556 134 W N -0.148 120.577 121.300 -0.959 0.000 1.277 134 W HA -0.242 4.419 4.660 0.002 0.000 0.236 134 W C -0.185 176.294 176.519 -0.067 0.000 0.973 134 W CA 0.773 57.788 57.345 -0.551 0.000 0.390 134 W CB -2.081 27.179 29.460 -0.333 0.000 1.977 134 W HN 0.582 nan 8.180 nan 0.000 1.223 135 D N 1.416 121.915 120.400 0.164 0.000 2.713 135 D HA 0.362 5.003 4.640 0.002 0.000 0.229 135 D C 0.322 176.840 176.300 0.363 0.000 1.136 135 D CA -0.231 53.954 54.000 0.309 0.000 1.010 135 D CB -0.412 40.555 40.800 0.278 0.000 1.084 135 D HN 0.129 nan 8.370 nan 0.000 0.495 136 L N 1.193 122.693 121.223 0.461 0.000 2.455 136 L HA 0.262 4.603 4.340 0.002 0.000 0.272 136 L C -2.405 174.429 176.870 -0.060 0.000 1.174 136 L CA -1.375 53.645 54.840 0.299 0.000 0.869 136 L CB 0.408 42.631 42.059 0.273 0.000 1.130 136 L HN -0.044 nan 8.230 nan 0.000 0.474 137 P HA -0.008 nan 4.420 nan 0.000 0.264 137 P C -0.205 176.933 177.300 -0.269 0.000 1.193 137 P CA 0.086 62.973 63.100 -0.354 0.000 0.763 137 P CB 0.688 32.011 31.700 -0.628 0.000 0.810 138 Q N 3.403 123.099 119.800 -0.174 0.000 2.152 138 Q HA -0.263 4.078 4.340 0.002 0.000 0.206 138 Q C 1.316 177.217 176.000 -0.165 0.000 0.985 138 Q CA 2.084 57.800 55.803 -0.145 0.000 0.863 138 Q CB -0.578 28.099 28.738 -0.103 0.000 0.904 138 Q HN 0.385 nan 8.270 nan 0.000 0.422 139 E N -0.246 119.847 120.200 -0.178 0.000 2.118 139 E HA -0.151 4.199 4.350 0.002 0.000 0.195 139 E C 1.831 178.310 176.600 -0.202 0.000 0.992 139 E CA 1.281 57.580 56.400 -0.168 0.000 0.804 139 E CB -0.247 29.358 29.700 -0.159 0.000 0.741 139 E HN 0.401 nan 8.360 nan 0.000 0.458 140 L N 0.286 121.339 121.223 -0.283 0.000 2.141 140 L HA -0.131 4.210 4.340 0.002 0.000 0.209 140 L C 2.354 179.063 176.870 -0.268 0.000 1.094 140 L CA 1.020 55.667 54.840 -0.321 0.000 0.763 140 L CB -0.236 41.526 42.059 -0.494 0.000 0.908 140 L HN 0.116 nan 8.230 nan 0.000 0.437 141 E N 0.722 120.788 120.200 -0.222 0.000 2.107 141 E HA -0.157 4.194 4.350 0.002 0.000 0.191 141 E C 1.863 178.391 176.600 -0.120 0.000 0.982 141 E CA 1.058 57.368 56.400 -0.151 0.000 0.809 141 E CB -0.023 29.602 29.700 -0.126 0.000 0.756 141 E HN 0.286 nan 8.360 nan 0.000 0.459 142 N N 0.398 119.024 118.700 -0.123 0.000 2.289 142 N HA -0.108 4.633 4.740 0.002 0.000 0.184 142 N C 1.127 176.578 175.510 -0.098 0.000 1.016 142 N CA 1.307 54.297 53.050 -0.099 0.000 0.872 142 N CB -0.307 38.123 38.487 -0.094 0.000 0.973 142 N HN 0.282 nan 8.380 nan 0.000 0.433 143 A N -0.762 121.986 122.820 -0.120 0.000 2.251 143 A HA 0.489 4.810 4.320 0.002 0.000 0.209 143 A C 1.520 179.033 177.584 -0.118 0.000 1.187 143 A CA 0.904 52.871 52.037 -0.115 0.000 0.823 143 A CB -0.006 18.916 19.000 -0.129 0.000 0.846 143 A HN 0.344 nan 8.150 nan 0.000 0.486 144 G N -2.818 105.911 108.800 -0.117 0.000 2.705 144 G HA2 0.352 4.313 3.960 0.002 0.000 0.193 144 G HA3 0.352 4.313 3.960 0.002 0.000 0.193 144 G C 1.322 176.151 174.900 -0.118 0.000 1.015 144 G CA 0.605 45.638 45.100 -0.112 0.000 0.743 144 G HN 2.126 nan 8.290 nan 0.000 0.476 145 G N -0.618 108.082 108.800 -0.166 0.000 2.598 145 G HA2 -0.231 3.730 3.960 0.002 0.000 0.244 145 G HA3 -0.231 3.730 3.960 0.002 0.000 0.244 145 G C 0.694 175.408 174.900 -0.309 0.000 1.302 145 G CA 0.619 45.611 45.100 -0.180 0.000 0.903 145 G HN 0.959 nan 8.290 nan 0.000 0.575 146 W N 0.530 121.704 121.300 -0.210 0.000 2.421 146 W HA 0.148 4.809 4.660 0.001 0.000 0.270 146 W C -0.385 175.962 176.519 -0.287 0.000 1.233 146 W CA 1.537 58.705 57.345 -0.294 0.000 1.226 146 W CB -0.684 28.568 29.460 -0.347 0.000 1.121 146 W HN 0.419 nan 8.180 nan 0.000 0.579 147 P HA -0.105 nan 4.420 nan 0.000 0.233 147 P C 0.051 177.362 177.300 0.018 0.000 1.167 147 P CA 1.301 64.249 63.100 -0.254 0.000 0.770 147 P CB 0.128 31.585 31.700 -0.406 0.000 0.837 148 E N -0.567 119.603 120.200 -0.050 0.000 2.156 148 E HA 0.171 4.522 4.350 0.002 0.000 0.279 148 E C 1.132 177.498 176.600 -0.390 0.000 0.965 148 E CA -0.516 55.802 56.400 -0.136 0.000 0.789 148 E CB 0.383 29.986 29.700 -0.161 0.000 1.098 148 E HN -0.204 nan 8.360 nan 0.000 0.397 149 R N 3.500 123.635 120.500 -0.608 0.000 2.117 149 R HA -0.238 4.103 4.340 0.002 0.000 0.243 149 R C 1.487 177.561 176.300 -0.376 0.000 1.143 149 R CA 1.722 57.327 56.100 -0.826 0.000 0.968 149 R CB -0.213 29.866 30.300 -0.368 0.000 0.863 149 R HN 0.613 nan 8.270 nan 0.000 0.444 150 A N -0.116 122.562 122.820 -0.237 0.000 1.978 150 A HA -0.164 4.157 4.320 0.002 0.000 0.220 150 A C 2.068 179.565 177.584 -0.145 0.000 1.170 150 A CA 2.064 54.014 52.037 -0.146 0.000 0.636 150 A CB -0.746 18.182 19.000 -0.120 0.000 0.810 150 A HN 0.466 nan 8.150 nan 0.000 0.448 151 T N 0.237 114.644 114.554 -0.246 0.000 2.788 151 T HA -0.040 4.311 4.350 0.002 0.000 0.268 151 T C 2.195 176.796 174.700 -0.164 0.000 1.044 151 T CA 1.528 63.425 62.100 -0.339 0.000 1.139 151 T CB -0.403 68.051 68.868 -0.690 0.000 0.867 151 T HN 0.629 nan 8.240 nan 0.000 0.454 152 A N 1.705 124.496 122.820 -0.049 0.000 1.898 152 A HA -0.112 4.209 4.320 0.002 0.000 0.216 152 A C 2.337 180.032 177.584 0.185 0.000 1.181 152 A CA 1.173 53.328 52.037 0.196 0.000 0.620 152 A CB -0.325 18.776 19.000 0.168 0.000 0.819 152 A HN 0.345 nan 8.150 nan 0.000 0.442 153 E N -0.001 120.242 120.200 0.071 0.000 2.072 153 E HA -0.148 4.203 4.350 0.002 0.000 0.191 153 E C 2.195 178.852 176.600 0.095 0.000 0.985 153 E CA 0.783 57.220 56.400 0.060 0.000 0.801 153 E CB -0.373 29.336 29.700 0.016 0.000 0.750 153 E HN 0.501 nan 8.360 nan 0.000 0.452 154 R N 0.049 120.629 120.500 0.134 0.000 2.096 154 R HA -0.096 4.245 4.340 0.002 0.000 0.235 154 R C 2.291 178.803 176.300 0.353 0.000 1.127 154 R CA 0.690 56.935 56.100 0.241 0.000 0.968 154 R CB -0.578 29.871 30.300 0.249 0.000 0.861 154 R HN 0.181 nan 8.270 nan 0.000 0.440 155 F N 1.660 121.733 119.950 0.206 0.000 2.134 155 F HA -0.129 4.399 4.527 0.002 0.000 0.299 155 F C 2.237 178.008 175.800 -0.048 0.000 1.097 155 F CA 1.191 59.201 58.000 0.016 0.000 1.264 155 F CB -0.408 38.699 39.000 0.178 0.000 1.001 155 F HN -0.029 nan 8.300 nan 0.000 0.479 156 A N -0.060 122.665 122.820 -0.159 0.000 1.930 156 A HA -0.170 4.151 4.320 0.002 0.000 0.217 156 A C 2.158 179.580 177.584 -0.269 0.000 1.175 156 A CA 1.719 53.578 52.037 -0.297 0.000 0.627 156 A CB -0.817 18.116 19.000 -0.113 0.000 0.815 156 A HN 0.553 nan 8.150 nan 0.000 0.443 157 E N -1.727 118.397 120.200 -0.125 0.000 2.208 157 E HA -0.165 4.186 4.350 0.002 0.000 0.193 157 E C 1.754 178.293 176.600 -0.102 0.000 0.988 157 E CA 1.157 57.508 56.400 -0.082 0.000 0.828 157 E CB -0.224 29.483 29.700 0.013 0.000 0.763 157 E HN 0.833 nan 8.360 nan 0.000 0.478 158 Y N 1.094 121.199 120.300 -0.324 0.000 2.263 158 Y HA -0.057 4.494 4.550 0.002 0.000 0.292 158 Y C 2.056 177.671 175.900 -0.475 0.000 1.130 158 Y CA 1.022 58.851 58.100 -0.453 0.000 1.179 158 Y CB -0.489 37.369 38.460 -1.004 0.000 0.998 158 Y HN -0.050 nan 8.280 nan 0.000 0.532 159 A N 1.034 123.367 122.820 -0.812 0.000 1.908 159 A HA -0.106 4.214 4.320 0.002 0.000 0.218 159 A C 2.477 179.703 177.584 -0.597 0.000 1.181 159 A CA 2.089 53.621 52.037 -0.842 0.000 0.627 159 A CB -1.485 17.044 19.000 -0.785 0.000 0.818 159 A HN 0.633 nan 8.150 nan 0.000 0.445 160 A N -0.166 122.401 122.820 -0.422 0.000 1.898 160 A HA -0.046 4.275 4.320 0.002 0.000 0.216 160 A C 2.112 179.548 177.584 -0.246 0.000 1.181 160 A CA 1.426 53.277 52.037 -0.310 0.000 0.620 160 A CB -0.575 18.299 19.000 -0.211 0.000 0.819 160 A HN 0.494 nan 8.150 nan 0.000 0.442 161 I N -0.247 120.207 120.570 -0.194 0.000 2.226 161 I HA -0.301 3.870 4.170 0.002 0.000 0.245 161 I C 2.967 179.026 176.117 -0.095 0.000 1.100 161 I CA 1.124 62.371 61.300 -0.087 0.000 1.374 161 I CB -0.307 37.705 38.000 0.018 0.000 1.057 161 I HN 0.371 nan 8.210 nan 0.000 0.413 162 A N 0.621 123.313 122.820 -0.212 0.000 1.898 162 A HA -0.123 4.198 4.320 0.002 0.000 0.216 162 A C 2.542 180.080 177.584 -0.077 0.000 1.181 162 A CA 1.723 53.696 52.037 -0.107 0.000 0.620 162 A CB -0.830 18.042 19.000 -0.214 0.000 0.819 162 A HN 0.422 nan 8.150 nan 0.000 0.442 163 A N 0.031 122.609 122.820 -0.403 0.000 1.902 163 A HA -0.188 4.133 4.320 0.002 0.000 0.217 163 A C 1.768 179.243 177.584 -0.182 0.000 1.181 163 A CA 1.924 53.655 52.037 -0.510 0.000 0.623 163 A CB -0.590 18.006 19.000 -0.673 0.000 0.818 163 A HN 0.451 nan 8.150 nan 0.000 0.443 164 D N -0.041 120.277 120.400 -0.136 0.000 2.144 164 D HA -0.033 4.608 4.640 0.002 0.000 0.199 164 D C 2.139 178.445 176.300 0.009 0.000 0.984 164 D CA 1.552 55.517 54.000 -0.058 0.000 0.834 164 D CB -0.314 40.456 40.800 -0.050 0.000 0.955 164 D HN 0.439 nan 8.370 nan 0.000 0.465 165 A N -0.282 122.563 122.820 0.043 0.000 1.975 165 A HA 0.064 4.385 4.320 0.002 0.000 0.215 165 A C 2.038 179.703 177.584 0.135 0.000 1.170 165 A CA 0.637 52.730 52.037 0.093 0.000 0.656 165 A CB -0.110 18.961 19.000 0.119 0.000 0.821 165 A HN 0.225 nan 8.150 nan 0.000 0.449 166 L N -1.855 119.488 121.223 0.199 0.000 2.817 166 L HA 0.232 4.573 4.340 0.002 0.000 0.248 166 L C 2.277 179.337 176.870 0.317 0.000 1.133 166 L CA 0.380 55.382 54.840 0.269 0.000 0.935 166 L CB 0.020 42.292 42.059 0.355 0.000 1.266 166 L HN 0.356 nan 8.230 nan 0.000 0.535 167 G N 0.285 109.235 108.800 0.250 0.000 2.485 167 G HA2 -0.264 3.697 3.960 0.002 0.000 0.221 167 G HA3 -0.264 3.697 3.960 0.002 0.000 0.221 167 G C 0.955 175.955 174.900 0.165 0.000 1.115 167 G CA 1.008 46.231 45.100 0.206 0.000 0.751 167 G HN 0.262 nan 8.290 nan 0.000 0.567 168 D N -0.400 120.075 120.400 0.124 0.000 2.347 168 D HA 0.088 4.729 4.640 0.002 0.000 0.215 168 D C 2.530 178.891 176.300 0.103 0.000 0.976 168 D CA 0.443 54.500 54.000 0.095 0.000 0.884 168 D CB 0.198 41.040 40.800 0.069 0.000 0.915 168 D HN 0.362 nan 8.370 nan 0.000 0.526 169 R N -0.860 119.717 120.500 0.129 0.000 2.215 169 R HA 0.228 4.569 4.340 0.002 0.000 0.190 169 R C 0.253 176.623 176.300 0.116 0.000 0.968 169 R CA 0.038 56.205 56.100 0.110 0.000 1.122 169 R CB 0.656 31.015 30.300 0.098 0.000 1.151 169 R HN -0.126 nan 8.270 nan 0.000 0.582 170 V N 3.351 123.349 119.914 0.140 0.000 2.408 170 V HA 0.156 4.277 4.120 0.002 0.000 0.267 170 V C 0.621 176.830 176.094 0.192 0.000 1.047 170 V CA 0.035 62.352 62.300 0.029 0.000 0.937 170 V CB 1.426 33.071 31.823 -0.297 0.000 0.999 170 V HN 0.240 nan 8.190 nan 0.000 0.472 171 K N 2.123 122.592 120.400 0.115 0.000 2.358 171 K HA 0.203 4.524 4.320 0.002 0.000 0.200 171 K C 0.161 176.895 176.600 0.223 0.000 1.030 171 K CA 0.144 56.557 56.287 0.210 0.000 1.097 171 K CB 0.974 33.558 32.500 0.140 0.000 0.862 171 K HN 0.619 nan 8.250 nan 0.000 0.534 172 T N 1.043 115.622 114.554 0.042 0.000 2.840 172 T HA 0.398 4.749 4.350 0.002 0.000 0.287 172 T C -1.248 173.344 174.700 -0.180 0.000 0.991 172 T CA -0.576 61.573 62.100 0.081 0.000 0.964 172 T CB 0.842 69.760 68.868 0.082 0.000 0.954 172 T HN 0.037 nan 8.240 nan 0.000 0.438 173 W N 1.452 122.732 121.300 -0.033 0.000 2.819 173 W HA 0.598 5.259 4.660 0.001 0.000 0.337 173 W C -0.123 176.317 176.519 -0.132 0.000 1.077 173 W CA -0.612 56.668 57.345 -0.109 0.000 1.226 173 W CB 1.755 31.139 29.460 -0.128 0.000 1.419 173 W HN 0.383 nan 8.180 nan 0.000 0.502 174 T N 0.881 115.479 114.554 0.073 0.000 2.824 174 T HA 0.244 4.595 4.350 0.002 0.000 0.282 174 T C 1.029 175.803 174.700 0.122 0.000 0.993 174 T CA -0.423 61.689 62.100 0.021 0.000 0.967 174 T CB 1.648 70.483 68.868 -0.055 0.000 0.960 174 T HN 0.531 nan 8.240 nan 0.000 0.441 175 T N 2.020 116.678 114.554 0.174 0.000 2.643 175 T HA 0.207 4.558 4.350 0.002 0.000 0.256 175 T C 0.684 175.612 174.700 0.381 0.000 1.061 175 T CA 0.495 62.800 62.100 0.341 0.000 1.163 175 T CB -0.334 68.799 68.868 0.440 0.000 0.865 175 T HN 0.403 nan 8.240 nan 0.000 0.407 176 L N 1.264 122.605 121.223 0.196 0.000 2.333 176 L HA 0.626 4.967 4.340 0.002 0.000 0.269 176 L C -0.743 176.112 176.870 -0.026 0.000 1.010 176 L CA -1.183 53.712 54.840 0.093 0.000 0.818 176 L CB 1.716 43.734 42.059 -0.068 0.000 1.306 176 L HN 0.232 nan 8.230 nan 0.000 0.430 177 N N 0.566 119.223 118.700 -0.073 0.000 2.407 177 N HA 0.207 4.948 4.740 0.002 0.000 0.277 177 N C -1.043 174.414 175.510 -0.089 0.000 0.995 177 N CA -0.333 52.571 53.050 -0.243 0.000 0.903 177 N CB 0.883 38.932 38.487 -0.730 0.000 1.218 177 N HN 0.599 nan 8.380 nan 0.000 0.487 178 E N 2.102 122.259 120.200 -0.071 0.000 2.273 178 E HA -0.166 4.184 4.350 0.002 0.000 0.177 178 E C -1.754 174.835 176.600 -0.018 0.000 1.511 178 E CA 0.093 56.517 56.400 0.040 0.000 0.675 178 E CB -0.429 29.412 29.700 0.236 0.000 1.094 178 E HN 0.671 nan 8.360 nan 0.000 0.348 179 P HA -0.206 nan 4.420 nan 0.000 0.222 179 P C 1.243 178.335 177.300 -0.347 0.000 1.147 179 P CA 1.069 63.859 63.100 -0.518 0.000 0.790 179 P CB -0.029 31.120 31.700 -0.918 0.000 0.780 180 W N 0.923 122.044 121.300 -0.299 0.000 2.358 180 W HA -0.209 4.452 4.660 0.001 0.000 0.303 180 W C 2.236 178.801 176.519 0.077 0.000 1.208 180 W CA 1.632 59.147 57.345 0.282 0.000 1.274 180 W CB -0.915 28.746 29.460 0.336 0.000 1.138 180 W HN -0.042 nan 8.180 nan 0.000 0.515 181 C N -0.322 119.020 119.300 0.070 0.000 2.432 181 C HA -0.177 4.284 4.460 0.002 0.000 0.277 181 C C 2.884 177.487 174.990 -0.644 0.000 1.249 181 C CA 1.583 60.409 59.018 -0.321 0.000 1.725 181 C CB -1.422 26.116 27.740 -0.337 0.000 2.028 181 C HN 0.354 nan 8.230 nan 0.000 0.477 182 S N 1.012 116.308 115.700 -0.673 0.000 2.365 182 S HA -0.171 4.300 4.470 0.002 0.000 0.225 182 S C 2.131 176.485 174.600 -0.410 0.000 1.039 182 S CA 1.687 59.529 58.200 -0.596 0.000 1.033 182 S CB -0.490 62.421 63.200 -0.480 0.000 0.887 182 S HN 0.734 nan 8.310 nan 0.000 0.447 183 A N 0.677 123.201 122.820 -0.494 0.000 1.843 183 A HA 0.140 4.461 4.320 0.002 0.000 0.213 183 A C 1.855 178.962 177.584 -0.795 0.000 1.202 183 A CA 1.076 52.740 52.037 -0.621 0.000 0.607 183 A CB -0.805 17.667 19.000 -0.879 0.000 0.847 183 A HN 0.483 nan 8.150 nan 0.000 0.445 184 F N -0.202 119.313 119.950 -0.726 0.000 2.335 184 F HA 0.142 4.669 4.527 0.001 0.000 0.296 184 F C 1.999 177.317 175.800 -0.805 0.000 1.091 184 F CA 0.605 58.073 58.000 -0.887 0.000 1.399 184 F CB -0.142 37.961 39.000 -1.494 0.000 1.067 184 F HN 0.057 nan 8.300 nan 0.000 0.520 185 L N -0.726 120.068 121.223 -0.715 0.000 2.209 185 L HA 0.089 4.430 4.340 0.002 0.000 0.207 185 L C 2.610 179.173 176.870 -0.512 0.000 1.094 185 L CA 1.046 55.521 54.840 -0.608 0.000 0.790 185 L CB -1.047 40.529 42.059 -0.805 0.000 0.932 185 L HN 0.229 nan 8.230 nan 0.000 0.447 186 G N -1.031 107.446 108.800 -0.539 0.000 2.408 186 G HA2 -0.208 3.753 3.960 0.002 0.000 0.215 186 G HA3 -0.208 3.753 3.960 0.002 0.000 0.215 186 G C 1.045 175.473 174.900 -0.786 0.000 1.156 186 G CA 0.477 45.180 45.100 -0.661 0.000 0.793 186 G HN 0.335 nan 8.290 nan 0.000 0.535 187 Y N -0.567 119.499 120.300 -0.390 0.000 2.471 187 Y HA 0.327 4.878 4.550 0.002 0.000 0.249 187 Y C 2.383 178.099 175.900 -0.306 0.000 1.116 187 Y CA -0.110 57.793 58.100 -0.330 0.000 1.240 187 Y CB 0.671 38.933 38.460 -0.330 0.000 1.251 187 Y HN 0.163 nan 8.280 nan 0.000 0.527 188 G N -0.156 108.529 108.800 -0.193 0.000 2.688 188 G HA2 -0.098 3.863 3.960 0.002 0.000 0.214 188 G HA3 -0.098 3.863 3.960 0.002 0.000 0.214 188 G C 1.615 176.441 174.900 -0.124 0.000 1.211 188 G CA 0.772 45.787 45.100 -0.141 0.000 0.853 188 G HN 0.294 nan 8.290 nan 0.000 0.591 189 S N -0.539 115.065 115.700 -0.160 0.000 2.503 189 S HA 0.345 4.816 4.470 0.002 0.000 0.217 189 S C 1.902 176.442 174.600 -0.101 0.000 0.999 189 S CA 1.126 59.277 58.200 -0.081 0.000 0.914 189 S CB 0.150 63.291 63.200 -0.099 0.000 0.782 189 S HN 1.645 nan 8.310 nan 0.000 0.520 190 G N 1.279 109.960 108.800 -0.198 0.000 2.155 190 G HA2 -0.327 3.633 3.960 0.002 0.000 0.257 190 G HA3 -0.327 3.633 3.960 0.002 0.000 0.257 190 G C 0.771 175.612 174.900 -0.098 0.000 0.983 190 G CA 0.618 45.600 45.100 -0.197 0.000 0.676 190 G HN 1.437 nan 8.290 nan 0.000 0.528 191 V N -3.335 116.517 119.914 -0.103 0.000 3.461 191 V HA 0.328 4.449 4.120 0.002 0.000 0.267 191 V C 0.965 177.131 176.094 0.121 0.000 1.186 191 V CA 1.242 63.569 62.300 0.045 0.000 1.154 191 V CB -0.520 31.303 31.823 -0.000 0.000 0.802 191 V HN 0.588 nan 8.190 nan 0.000 0.474 192 H N -0.417 118.396 119.070 -0.427 0.000 2.771 192 H HA 0.762 5.319 4.556 0.001 0.000 0.367 192 H C 0.193 174.560 175.328 -1.601 0.000 1.172 192 H CA -0.770 54.809 56.048 -0.782 0.000 1.186 192 H CB 2.020 31.494 29.762 -0.480 0.000 1.790 192 H HN 0.416 nan 8.280 nan 0.000 0.556 193 A N 2.072 123.576 122.820 -2.193 0.000 2.483 193 A HA 0.057 4.378 4.320 0.002 0.000 0.238 193 A C -1.629 175.321 177.584 -1.057 0.000 1.070 193 A CA -0.885 50.035 52.037 -1.862 0.000 0.770 193 A CB -0.100 17.727 19.000 -1.955 0.000 1.008 193 A HN 0.591 nan 8.150 nan 0.000 0.497 194 P HA 0.096 nan 4.420 nan 0.000 0.249 194 P C 0.773 177.777 177.300 -0.492 0.000 1.229 194 P CA 1.077 63.787 63.100 -0.650 0.000 0.788 194 P CB 0.225 31.635 31.700 -0.483 0.000 1.072 195 G N 0.325 108.759 108.800 -0.609 0.000 2.142 195 G HA2 -0.223 3.738 3.960 0.002 0.000 0.225 195 G HA3 -0.223 3.738 3.960 0.002 0.000 0.225 195 G C 0.012 174.768 174.900 -0.240 0.000 1.015 195 G CA -0.510 44.440 45.100 -0.250 0.000 0.716 195 G HN 0.335 nan 8.290 nan 0.000 0.508 196 R N 0.060 120.344 120.500 -0.360 0.000 2.528 196 R HA 0.643 4.984 4.340 0.002 0.000 0.271 196 R C 0.468 176.619 176.300 -0.249 0.000 1.056 196 R CA 0.408 56.357 56.100 -0.252 0.000 1.117 196 R CB 0.822 31.021 30.300 -0.168 0.000 1.085 196 R HN 0.384 nan 8.270 nan 0.000 0.530 197 T N -1.329 113.063 114.554 -0.270 0.000 3.226 197 T HA 0.258 4.609 4.350 0.002 0.000 0.378 197 T C -1.062 173.477 174.700 -0.269 0.000 1.380 197 T CA -0.873 61.010 62.100 -0.362 0.000 1.396 197 T CB 0.397 68.752 68.868 -0.854 0.000 1.044 197 T HN 0.431 nan 8.240 nan 0.000 0.586 198 D N 3.481 123.791 120.400 -0.150 0.000 2.763 198 D HA 0.281 4.922 4.640 0.002 0.000 0.235 198 D C -1.992 174.250 176.300 -0.097 0.000 1.334 198 D CA -1.999 51.937 54.000 -0.106 0.000 0.950 198 D CB 3.024 43.759 40.800 -0.109 0.000 1.433 198 D HN 0.148 nan 8.370 nan 0.000 0.580 199 P HA -0.132 nan 4.420 nan 0.000 0.216 199 P C 1.511 178.738 177.300 -0.123 0.000 1.150 199 P CA 0.596 63.669 63.100 -0.045 0.000 0.837 199 P CB 0.666 32.370 31.700 0.006 0.000 0.786 200 V N 0.746 120.566 119.914 -0.156 0.000 2.453 200 V HA -0.161 3.960 4.120 0.002 0.000 0.247 200 V C 2.910 178.785 176.094 -0.365 0.000 1.048 200 V CA 1.942 64.093 62.300 -0.248 0.000 1.049 200 V CB -1.660 30.045 31.823 -0.196 0.000 0.672 200 V HN 0.100 nan 8.190 nan 0.000 0.457 201 A N 0.217 122.859 122.820 -0.297 0.000 1.902 201 A HA -0.133 4.188 4.320 0.002 0.000 0.217 201 A C 2.427 179.728 177.584 -0.471 0.000 1.181 201 A CA 2.105 53.926 52.037 -0.359 0.000 0.623 201 A CB -0.737 18.139 19.000 -0.206 0.000 0.818 201 A HN 0.558 nan 8.150 nan 0.000 0.443 202 A N -0.301 122.294 122.820 -0.376 0.000 1.902 202 A HA -0.025 4.296 4.320 0.002 0.000 0.217 202 A C 2.158 179.336 177.584 -0.676 0.000 1.181 202 A CA 1.485 53.205 52.037 -0.528 0.000 0.623 202 A CB -0.570 18.191 19.000 -0.398 0.000 0.818 202 A HN 0.474 nan 8.150 nan 0.000 0.443 203 L N -1.251 119.681 121.223 -0.486 0.000 2.093 203 L HA -0.145 4.196 4.340 0.002 0.000 0.208 203 L C 2.845 179.332 176.870 -0.638 0.000 1.085 203 L CA 1.191 55.752 54.840 -0.465 0.000 0.755 203 L CB -0.432 41.312 42.059 -0.524 0.000 0.904 203 L HN 0.348 nan 8.230 nan 0.000 0.435 204 R N -0.038 119.901 120.500 -0.935 0.000 2.075 204 R HA -0.097 4.244 4.340 0.002 0.000 0.232 204 R C 2.473 178.310 176.300 -0.773 0.000 1.126 204 R CA 1.245 56.585 56.100 -1.267 0.000 0.963 204 R CB -0.463 29.130 30.300 -1.179 0.000 0.858 204 R HN 0.326 nan 8.270 nan 0.000 0.435 205 A N 1.389 123.840 122.820 -0.614 0.000 1.902 205 A HA -0.131 4.190 4.320 0.002 0.000 0.217 205 A C 2.388 179.793 177.584 -0.298 0.000 1.181 205 A CA 1.709 53.483 52.037 -0.438 0.000 0.623 205 A CB -0.679 17.913 19.000 -0.680 0.000 0.818 205 A HN 0.395 nan 8.150 nan 0.000 0.443 206 A N -1.220 121.401 122.820 -0.331 0.000 1.908 206 A HA -0.250 4.071 4.320 0.002 0.000 0.218 206 A C 2.153 179.843 177.584 0.177 0.000 1.181 206 A CA 1.815 53.822 52.037 -0.050 0.000 0.627 206 A CB -1.016 17.919 19.000 -0.109 0.000 0.818 206 A HN 0.787 nan 8.150 nan 0.000 0.445 207 H N -1.169 117.952 119.070 0.085 0.000 2.357 207 H HA -0.146 4.410 4.556 0.001 0.000 0.301 207 H C 1.863 177.334 175.328 0.239 0.000 1.082 207 H CA 1.901 58.123 56.048 0.289 0.000 1.342 207 H CB -0.118 29.873 29.762 0.382 0.000 1.389 207 H HN 0.779 nan 8.280 nan 0.000 0.511 208 H N -0.329 118.770 119.070 0.049 0.000 2.524 208 H HA -0.020 4.537 4.556 0.001 0.000 0.282 208 H C 2.410 177.797 175.328 0.098 0.000 1.016 208 H CA 0.382 56.462 56.048 0.054 0.000 1.270 208 H CB 0.455 30.311 29.762 0.157 0.000 1.394 208 H HN 0.265 nan 8.280 nan 0.000 0.568 209 L N 0.005 121.255 121.223 0.044 0.000 2.095 209 L HA -0.109 4.232 4.340 0.002 0.000 0.204 209 L C 1.889 178.769 176.870 0.016 0.000 1.080 209 L CA 0.983 55.682 54.840 -0.234 0.000 0.759 209 L CB -0.217 41.583 42.059 -0.431 0.000 0.914 209 L HN 0.303 nan 8.230 nan 0.000 0.439 210 N N -0.211 118.572 118.700 0.140 0.000 2.084 210 N HA -0.234 4.507 4.740 0.002 0.000 0.190 210 N C 1.733 177.333 175.510 0.150 0.000 1.030 210 N CA 1.042 54.201 53.050 0.182 0.000 0.849 210 N CB -0.067 38.533 38.487 0.189 0.000 1.012 210 N HN 0.108 nan 8.380 nan 0.000 0.423 211 L N 0.879 122.129 121.223 0.044 0.000 1.994 211 L HA 0.014 4.355 4.340 0.002 0.000 0.208 211 L C 2.179 179.145 176.870 0.159 0.000 1.071 211 L CA 1.741 56.618 54.840 0.062 0.000 0.745 211 L CB -1.152 40.909 42.059 0.002 0.000 0.892 211 L HN 0.138 nan 8.230 nan 0.000 0.431 212 G N -1.783 107.162 108.800 0.242 0.000 2.440 212 G HA2 -0.411 3.550 3.960 0.002 0.000 0.218 212 G HA3 -0.411 3.550 3.960 0.002 0.000 0.218 212 G C 1.538 176.695 174.900 0.430 0.000 1.154 212 G CA 1.183 46.525 45.100 0.403 0.000 0.767 212 G HN 0.678 nan 8.290 nan 0.000 0.552 213 H N 0.697 119.898 119.070 0.218 0.000 2.290 213 H HA -0.015 4.542 4.556 0.002 0.000 0.298 213 H C 2.672 178.074 175.328 0.124 0.000 1.087 213 H CA 2.397 58.559 56.048 0.190 0.000 1.291 213 H CB -0.784 29.018 29.762 0.067 0.000 1.369 213 H HN 0.195 nan 8.280 nan 0.000 0.492 214 G N 0.741 109.453 108.800 -0.146 0.000 2.446 214 G HA2 -0.216 3.745 3.960 0.002 0.000 0.217 214 G HA3 -0.216 3.745 3.960 0.002 0.000 0.217 214 G C 1.799 176.606 174.900 -0.155 0.000 1.168 214 G CA 1.055 46.028 45.100 -0.212 0.000 0.771 214 G HN 0.447 nan 8.290 nan 0.000 0.551 215 L N 0.566 121.760 121.223 -0.048 0.000 2.141 215 L HA -0.024 4.317 4.340 0.002 0.000 0.209 215 L C 3.372 180.163 176.870 -0.131 0.000 1.094 215 L CA 0.905 55.712 54.840 -0.055 0.000 0.763 215 L CB -0.441 41.624 42.059 0.011 0.000 0.908 215 L HN 0.316 nan 8.230 nan 0.000 0.437 216 A N -0.130 122.603 122.820 -0.145 0.000 1.898 216 A HA -0.113 4.208 4.320 0.002 0.000 0.216 216 A C 2.347 179.757 177.584 -0.290 0.000 1.181 216 A CA 1.468 53.330 52.037 -0.291 0.000 0.620 216 A CB -0.721 18.091 19.000 -0.313 0.000 0.819 216 A HN 0.168 nan 8.150 nan 0.000 0.442 217 V N 0.116 119.856 119.914 -0.290 0.000 2.343 217 V HA -0.337 3.784 4.120 0.002 0.000 0.247 217 V C 2.647 178.603 176.094 -0.230 0.000 1.051 217 V CA 2.268 64.402 62.300 -0.277 0.000 1.036 217 V CB -0.964 30.663 31.823 -0.327 0.000 0.654 217 V HN 0.627 nan 8.190 nan 0.000 0.451 218 Q N -0.264 119.416 119.800 -0.200 0.000 2.061 218 Q HA -0.231 4.110 4.340 0.002 0.000 0.204 218 Q C 2.454 178.346 176.000 -0.179 0.000 0.984 218 Q CA 1.952 57.659 55.803 -0.160 0.000 0.846 218 Q CB -0.434 28.230 28.738 -0.123 0.000 0.902 218 Q HN 0.686 nan 8.270 nan 0.000 0.421 219 A N 0.817 123.511 122.820 -0.211 0.000 1.902 219 A HA -0.165 4.156 4.320 0.002 0.000 0.217 219 A C 2.084 179.493 177.584 -0.291 0.000 1.181 219 A CA 1.139 53.033 52.037 -0.238 0.000 0.623 219 A CB -0.689 18.146 19.000 -0.275 0.000 0.818 219 A HN 0.279 nan 8.150 nan 0.000 0.443 220 L N -1.089 119.925 121.223 -0.347 0.000 2.017 220 L HA -0.186 4.155 4.340 0.002 0.000 0.208 220 L C 2.844 179.521 176.870 -0.321 0.000 1.073 220 L CA 1.146 55.726 54.840 -0.433 0.000 0.745 220 L CB -0.554 41.224 42.059 -0.469 0.000 0.894 220 L HN 0.263 nan 8.230 nan 0.000 0.432 221 R N 0.095 120.454 120.500 -0.235 0.000 2.105 221 R HA -0.210 4.131 4.340 0.002 0.000 0.239 221 R C 1.813 178.022 176.300 -0.151 0.000 1.135 221 R CA 1.781 57.780 56.100 -0.169 0.000 0.967 221 R CB -0.891 29.328 30.300 -0.135 0.000 0.861 221 R HN 0.420 nan 8.270 nan 0.000 0.442 222 D N 0.067 120.372 120.400 -0.159 0.000 2.149 222 D HA -0.084 4.557 4.640 0.002 0.000 0.201 222 D C 1.441 177.659 176.300 -0.137 0.000 0.972 222 D CA 0.880 54.801 54.000 -0.132 0.000 0.835 222 D CB 0.283 41.009 40.800 -0.125 0.000 0.966 222 D HN -0.041 nan 8.370 nan 0.000 0.476 223 R N -0.446 119.944 120.500 -0.184 0.000 2.312 223 R HA 0.275 4.616 4.340 0.002 0.000 0.205 223 R C 0.191 176.381 176.300 -0.183 0.000 0.904 223 R CA -0.061 55.931 56.100 -0.180 0.000 1.052 223 R CB 0.173 30.343 30.300 -0.216 0.000 1.014 223 R HN 0.273 nan 8.270 nan 0.000 0.503 224 L N 1.562 122.661 121.223 -0.206 0.000 2.352 224 L HA 0.421 4.762 4.340 0.002 0.000 0.269 224 L C -2.028 174.791 176.870 -0.085 0.000 1.034 224 L CA -2.179 52.560 54.840 -0.168 0.000 0.806 224 L CB 0.831 42.742 42.059 -0.247 0.000 1.244 224 L HN -0.244 nan 8.230 nan 0.000 0.447 225 P HA 0.033 nan 4.420 nan 0.000 0.269 225 P C 0.093 177.387 177.300 -0.010 0.000 1.215 225 P CA -0.116 62.978 63.100 -0.009 0.000 0.780 225 P CB 0.719 32.432 31.700 0.022 0.000 0.898 226 A N 2.535 125.351 122.820 -0.008 0.000 1.986 226 A HA -0.216 4.104 4.320 0.002 0.000 0.220 226 A C 1.560 179.150 177.584 0.010 0.000 1.171 226 A CA 2.109 54.143 52.037 -0.006 0.000 0.640 226 A CB -1.136 17.861 19.000 -0.004 0.000 0.811 226 A HN 0.696 nan 8.150 nan 0.000 0.451 227 D N 0.016 120.431 120.400 0.026 0.000 2.349 227 D HA 0.289 4.930 4.640 0.002 0.000 0.224 227 D C 0.747 177.087 176.300 0.067 0.000 1.029 227 D CA 0.545 54.571 54.000 0.044 0.000 0.879 227 D CB -0.666 40.161 40.800 0.046 0.000 0.906 227 D HN 0.404 nan 8.370 nan 0.000 0.528 228 A N 0.247 123.107 122.820 0.067 0.000 2.445 228 A HA 0.243 4.564 4.320 0.002 0.000 0.242 228 A C 0.205 177.857 177.584 0.113 0.000 1.075 228 A CA -0.177 51.929 52.037 0.115 0.000 0.777 228 A CB 0.236 19.292 19.000 0.093 0.000 1.013 228 A HN 0.220 nan 8.150 nan 0.000 0.493 229 Q N 0.014 119.924 119.800 0.183 0.000 2.274 229 Q HA 0.511 4.852 4.340 0.002 0.000 0.260 229 Q C -1.245 174.837 176.000 0.137 0.000 0.974 229 Q CA -0.520 55.385 55.803 0.170 0.000 0.876 229 Q CB 1.965 30.876 28.738 0.287 0.000 1.297 229 Q HN 0.758 nan 8.270 nan 0.000 0.446 230 C N 0.994 120.288 119.300 -0.010 0.000 2.561 230 C HA 0.868 5.329 4.460 0.002 0.000 0.319 230 C C 0.072 174.879 174.990 -0.306 0.000 1.198 230 C CA -0.356 58.611 59.018 -0.086 0.000 1.665 230 C CB 1.701 29.387 27.740 -0.090 0.000 2.258 230 C HN 0.892 nan 8.230 nan 0.000 0.493 231 S N 0.524 116.034 115.700 -0.317 0.000 2.727 231 S HA 0.840 5.311 4.470 0.002 0.000 0.278 231 S C -1.896 172.607 174.600 -0.163 0.000 1.186 231 S CA -0.379 57.539 58.200 -0.471 0.000 0.836 231 S CB 1.536 63.988 63.200 -1.246 0.000 1.186 231 S HN 1.048 nan 8.310 nan 0.000 0.499 232 V N 1.166 120.971 119.914 -0.181 0.000 2.925 232 V HA 0.778 4.899 4.120 0.002 0.000 0.311 232 V C -1.074 174.934 176.094 -0.144 0.000 1.104 232 V CA -0.111 62.108 62.300 -0.136 0.000 0.954 232 V CB 2.192 33.816 31.823 -0.331 0.000 1.022 232 V HN 0.958 nan 8.190 nan 0.000 0.427 233 T N 7.322 121.804 114.554 -0.120 0.000 2.770 233 T HA 0.647 4.998 4.350 0.002 0.000 0.283 233 T C -0.707 173.928 174.700 -0.108 0.000 0.988 233 T CA -0.160 61.885 62.100 -0.092 0.000 0.957 233 T CB 0.594 69.408 68.868 -0.090 0.000 0.930 233 T HN 0.516 nan 8.240 nan 0.000 0.443 234 L N 4.389 125.572 121.223 -0.066 0.000 2.365 234 L HA 0.535 4.876 4.340 0.002 0.000 0.273 234 L C 0.177 177.069 176.870 0.038 0.000 1.000 234 L CA -1.284 53.532 54.840 -0.040 0.000 0.819 234 L CB 1.506 43.550 42.059 -0.024 0.000 1.284 234 L HN 0.614 nan 8.230 nan 0.000 0.418 235 N N 3.920 122.666 118.700 0.076 0.000 2.439 235 N HA 0.166 4.907 4.740 0.002 0.000 0.243 235 N C -0.666 174.938 175.510 0.156 0.000 1.088 235 N CA -0.407 52.698 53.050 0.091 0.000 0.940 235 N CB 1.147 39.678 38.487 0.075 0.000 1.180 235 N HN 0.380 nan 8.380 nan 0.000 0.505 236 I N 3.356 124.024 120.570 0.164 0.000 2.363 236 I HA 0.034 4.205 4.170 0.002 0.000 0.292 236 I C 0.974 177.241 176.117 0.251 0.000 1.075 236 I CA -0.472 60.963 61.300 0.224 0.000 1.333 236 I CB -0.526 37.592 38.000 0.197 0.000 1.415 236 I HN 0.335 nan 8.210 nan 0.000 0.502 237 H N 5.428 124.552 119.070 0.090 0.000 2.848 237 H HA 0.032 4.588 4.556 0.001 0.000 0.317 237 H C -0.250 175.179 175.328 0.168 0.000 1.046 237 H CA -0.090 56.012 56.048 0.091 0.000 1.470 237 H CB 0.727 30.480 29.762 -0.016 0.000 1.483 237 H HN 0.428 nan 8.280 nan 0.000 0.548 238 H N 3.908 123.110 119.070 0.220 0.000 2.787 238 H HA 0.200 4.757 4.556 0.002 0.000 0.275 238 H C -0.924 174.484 175.328 0.134 0.000 1.183 238 H CA -0.504 55.643 56.048 0.166 0.000 1.290 238 H CB -0.344 29.529 29.762 0.183 0.000 1.438 238 H HN 0.258 nan 8.280 nan 0.000 0.487 239 V N 6.547 126.371 119.914 -0.149 0.000 2.465 239 V HA 0.426 4.547 4.120 0.002 0.000 0.279 239 V C 0.444 176.388 176.094 -0.251 0.000 1.045 239 V CA -0.488 61.721 62.300 -0.151 0.000 0.938 239 V CB 1.038 32.786 31.823 -0.126 0.000 0.986 239 V HN 0.745 nan 8.190 nan 0.000 0.467 240 R N 5.235 125.640 120.500 -0.159 0.000 2.807 240 R HA 0.568 4.909 4.340 0.002 0.000 0.276 240 R C -2.831 173.416 176.300 -0.089 0.000 0.979 240 R CA -1.820 54.206 56.100 -0.122 0.000 0.928 240 R CB 2.816 33.083 30.300 -0.055 0.000 1.191 240 R HN 0.467 nan 8.270 nan 0.000 0.471 241 P HA 0.079 nan 4.420 nan 0.000 0.290 241 P C 0.044 177.318 177.300 -0.042 0.000 1.275 241 P CA -0.518 62.541 63.100 -0.068 0.000 0.841 241 P CB 1.327 32.986 31.700 -0.068 0.000 1.042 242 L N 2.687 123.887 121.223 -0.039 0.000 2.017 242 L HA -0.031 4.310 4.340 0.002 0.000 0.208 242 L C 1.157 177.987 176.870 -0.065 0.000 1.073 242 L CA 2.501 57.301 54.840 -0.066 0.000 0.745 242 L CB -0.927 41.038 42.059 -0.156 0.000 0.894 242 L HN 0.632 nan 8.230 nan 0.000 0.432 243 T N -5.346 109.173 114.554 -0.059 0.000 2.773 243 T HA 0.337 4.688 4.350 0.002 0.000 0.278 243 T C 0.121 174.798 174.700 -0.038 0.000 1.011 243 T CA -0.135 61.937 62.100 -0.047 0.000 1.014 243 T CB 0.941 69.780 68.868 -0.048 0.000 1.293 243 T HN 0.079 nan 8.240 nan 0.000 0.554 244 D N 1.138 121.520 120.400 -0.030 0.000 2.319 244 D HA 0.178 4.819 4.640 0.002 0.000 0.230 244 D C 0.822 177.105 176.300 -0.028 0.000 1.094 244 D CA -0.050 53.934 54.000 -0.027 0.000 0.856 244 D CB -0.032 40.757 40.800 -0.020 0.000 0.915 244 D HN 0.660 nan 8.370 nan 0.000 0.517 245 S N -0.098 115.583 115.700 -0.031 0.000 2.579 245 S HA -0.031 4.440 4.470 0.002 0.000 0.275 245 S C 1.076 175.656 174.600 -0.033 0.000 1.345 245 S CA -0.622 57.561 58.200 -0.030 0.000 1.031 245 S CB 1.611 64.793 63.200 -0.031 0.000 0.892 245 S HN 0.060 nan 8.310 nan 0.000 0.529 246 D N 2.088 122.471 120.400 -0.029 0.000 2.178 246 D HA -0.031 4.610 4.640 0.002 0.000 0.202 246 D C 2.005 178.283 176.300 -0.037 0.000 0.974 246 D CA 1.424 55.405 54.000 -0.031 0.000 0.841 246 D CB -0.443 40.341 40.800 -0.026 0.000 0.953 246 D HN 0.704 nan 8.370 nan 0.000 0.478 247 A N 0.327 123.125 122.820 -0.036 0.000 1.902 247 A HA -0.176 4.145 4.320 0.002 0.000 0.217 247 A C 1.925 179.476 177.584 -0.054 0.000 1.181 247 A CA 1.857 53.870 52.037 -0.040 0.000 0.623 247 A CB -0.565 18.415 19.000 -0.033 0.000 0.818 247 A HN 0.188 nan 8.150 nan 0.000 0.443 248 D N -0.188 120.179 120.400 -0.055 0.000 2.149 248 D HA 0.043 4.684 4.640 0.002 0.000 0.201 248 D C 2.195 178.447 176.300 -0.081 0.000 0.972 248 D CA 1.314 55.272 54.000 -0.070 0.000 0.835 248 D CB -0.337 40.427 40.800 -0.059 0.000 0.966 248 D HN 0.409 nan 8.370 nan 0.000 0.476 249 A N 0.505 123.285 122.820 -0.066 0.000 1.933 249 A HA -0.198 4.123 4.320 0.002 0.000 0.218 249 A C 1.939 179.480 177.584 -0.072 0.000 1.175 249 A CA 1.847 53.844 52.037 -0.066 0.000 0.628 249 A CB -0.532 18.439 19.000 -0.050 0.000 0.814 249 A HN 0.139 nan 8.150 nan 0.000 0.444 250 D N -0.658 119.702 120.400 -0.066 0.000 2.183 250 D HA 0.085 4.726 4.640 0.002 0.000 0.203 250 D C 2.003 178.250 176.300 -0.088 0.000 0.969 250 D CA 1.115 55.076 54.000 -0.065 0.000 0.842 250 D CB -0.098 40.672 40.800 -0.051 0.000 0.957 250 D HN 0.348 nan 8.370 nan 0.000 0.484 251 A N -0.286 122.466 122.820 -0.112 0.000 1.930 251 A HA -0.093 4.228 4.320 0.002 0.000 0.217 251 A C 2.373 179.835 177.584 -0.202 0.000 1.175 251 A CA 1.156 53.093 52.037 -0.167 0.000 0.627 251 A CB -0.698 18.185 19.000 -0.196 0.000 0.815 251 A HN 0.195 nan 8.150 nan 0.000 0.443 252 V N 0.271 120.083 119.914 -0.170 0.000 2.343 252 V HA -0.257 3.864 4.120 0.002 0.000 0.247 252 V C 2.673 178.688 176.094 -0.133 0.000 1.051 252 V CA 2.263 64.462 62.300 -0.169 0.000 1.036 252 V CB -0.793 30.949 31.823 -0.134 0.000 0.654 252 V HN 0.696 nan 8.190 nan 0.000 0.451 253 R N 0.299 120.740 120.500 -0.099 0.000 2.073 253 R HA -0.212 4.129 4.340 0.002 0.000 0.234 253 R C 2.515 178.777 176.300 -0.062 0.000 1.134 253 R CA 2.113 58.172 56.100 -0.068 0.000 0.952 253 R CB -0.348 29.921 30.300 -0.053 0.000 0.850 253 R HN 0.433 nan 8.270 nan 0.000 0.433 254 R N 0.215 120.669 120.500 -0.076 0.000 2.081 254 R HA -0.108 4.233 4.340 0.002 0.000 0.235 254 R C 2.131 178.394 176.300 -0.062 0.000 1.131 254 R CA 1.563 57.630 56.100 -0.056 0.000 0.960 254 R CB -0.120 30.141 30.300 -0.065 0.000 0.856 254 R HN 0.248 nan 8.270 nan 0.000 0.436 255 I N 1.184 121.659 120.570 -0.159 0.000 2.353 255 I HA -0.179 3.992 4.170 0.002 0.000 0.248 255 I C 1.879 177.932 176.117 -0.105 0.000 1.119 255 I CA 1.325 62.485 61.300 -0.233 0.000 1.417 255 I CB -1.249 36.456 38.000 -0.491 0.000 1.078 255 I HN 0.252 nan 8.210 nan 0.000 0.421 256 D N 1.062 121.413 120.400 -0.083 0.000 2.178 256 D HA -0.116 4.524 4.640 0.002 0.000 0.201 256 D C 2.197 178.512 176.300 0.025 0.000 0.980 256 D CA 1.332 55.318 54.000 -0.023 0.000 0.842 256 D CB 0.295 41.080 40.800 -0.024 0.000 0.948 256 D HN 0.252 nan 8.370 nan 0.000 0.472 257 A N -0.085 122.750 122.820 0.023 0.000 1.873 257 A HA -0.036 4.285 4.320 0.002 0.000 0.215 257 A C 2.324 179.958 177.584 0.083 0.000 1.186 257 A CA 0.861 52.928 52.037 0.049 0.000 0.616 257 A CB -0.735 18.287 19.000 0.037 0.000 0.823 257 A HN 0.348 nan 8.150 nan 0.000 0.442 258 L N -1.137 120.152 121.223 0.110 0.000 2.156 258 L HA -0.091 4.250 4.340 0.002 0.000 0.208 258 L C 2.939 179.917 176.870 0.179 0.000 1.095 258 L CA 0.911 55.831 54.840 0.133 0.000 0.770 258 L CB -0.290 41.918 42.059 0.250 0.000 0.914 258 L HN 0.454 nan 8.230 nan 0.000 0.439 259 A N -0.393 122.514 122.820 0.145 0.000 1.911 259 A HA -0.041 4.280 4.320 0.002 0.000 0.212 259 A C 1.883 179.516 177.584 0.082 0.000 1.189 259 A CA 1.013 52.932 52.037 -0.198 0.000 0.639 259 A CB -0.071 18.539 19.000 -0.650 0.000 0.839 259 A HN 0.387 nan 8.150 nan 0.000 0.449 260 N N -0.943 117.842 118.700 0.142 0.000 2.684 260 N HA 0.052 4.793 4.740 0.002 0.000 0.220 260 N C 1.609 177.253 175.510 0.223 0.000 1.037 260 N CA 0.455 53.646 53.050 0.235 0.000 0.975 260 N CB -0.349 38.252 38.487 0.189 0.000 1.426 260 N HN 0.291 nan 8.380 nan 0.000 0.450 261 R N 1.060 121.645 120.500 0.143 0.000 2.241 261 R HA 0.018 4.359 4.340 0.002 0.000 0.224 261 R C 1.879 178.207 176.300 0.046 0.000 1.101 261 R CA 0.395 56.558 56.100 0.105 0.000 0.995 261 R CB -0.275 30.072 30.300 0.078 0.000 0.870 261 R HN 0.022 nan 8.270 nan 0.000 0.463 262 V N 0.197 120.116 119.914 0.008 0.000 2.913 262 V HA -0.177 3.944 4.120 0.002 0.000 0.260 262 V C 1.081 176.998 176.094 -0.294 0.000 1.098 262 V CA 1.687 63.943 62.300 -0.074 0.000 1.121 262 V CB -0.199 31.559 31.823 -0.109 0.000 0.714 262 V HN 0.209 nan 8.190 nan 0.000 0.487 263 F N -0.076 119.953 119.950 0.132 0.000 2.490 263 F HA 0.056 4.584 4.527 0.001 0.000 0.280 263 F C 2.605 178.368 175.800 -0.061 0.000 1.030 263 F CA 0.926 58.946 58.000 0.034 0.000 1.367 263 F CB -0.619 38.414 39.000 0.056 0.000 1.131 263 F HN 0.194 nan 8.300 nan 0.000 0.632 264 T N -1.756 112.885 114.554 0.144 0.000 2.867 264 T HA -0.040 4.311 4.350 0.002 0.000 0.268 264 T C 2.220 176.910 174.700 -0.018 0.000 1.057 264 T CA 1.195 63.300 62.100 0.009 0.000 1.136 264 T CB -1.125 67.794 68.868 0.085 0.000 0.874 264 T HN 0.272 nan 8.240 nan 0.000 0.466 265 G N 2.799 111.587 108.800 -0.020 0.000 2.480 265 G HA2 -0.073 3.888 3.960 0.002 0.000 0.216 265 G HA3 -0.073 3.888 3.960 0.002 0.000 0.216 265 G C -0.593 174.176 174.900 -0.219 0.000 1.200 265 G CA 0.824 45.867 45.100 -0.095 0.000 0.782 265 G HN 0.453 nan 8.290 nan 0.000 0.554 266 P HA -0.001 nan 4.420 nan 0.000 0.215 266 P C 2.256 179.473 177.300 -0.138 0.000 1.157 266 P CA 1.181 64.085 63.100 -0.326 0.000 0.859 266 P CB -0.087 31.324 31.700 -0.481 0.000 0.786 267 M N -1.644 117.921 119.600 -0.059 0.000 2.175 267 M HA -0.088 4.393 4.480 0.002 0.000 0.264 267 M C 1.642 177.989 176.300 0.079 0.000 1.063 267 M CA 1.750 57.075 55.300 0.041 0.000 1.119 267 M CB -0.610 31.943 32.600 -0.079 0.000 1.377 267 M HN -0.082 nan 8.290 nan 0.000 0.415 268 L N -1.620 119.560 121.223 -0.071 0.000 2.638 268 L HA 0.082 4.423 4.340 0.002 0.000 0.232 268 L C 1.459 178.258 176.870 -0.118 0.000 1.099 268 L CA 0.200 55.011 54.840 -0.048 0.000 0.883 268 L CB 0.025 41.881 42.059 -0.338 0.000 1.136 268 L HN 0.307 nan 8.230 nan 0.000 0.492 269 Q N -0.245 119.312 119.800 -0.405 0.000 2.113 269 Q HA 0.237 4.578 4.340 0.002 0.000 0.225 269 Q C 0.915 176.480 176.000 -0.724 0.000 0.786 269 Q CA 0.449 55.972 55.803 -0.467 0.000 0.989 269 Q CB 1.684 30.355 28.738 -0.113 0.000 1.174 269 Q HN 0.380 nan 8.270 nan 0.000 0.470 270 G N 1.474 109.765 108.800 -0.849 0.000 2.221 270 G HA2 -0.137 3.824 3.960 0.002 0.000 0.265 270 G HA3 -0.137 3.824 3.960 0.002 0.000 0.265 270 G C -0.041 174.741 174.900 -0.197 0.000 1.041 270 G CA 0.356 45.217 45.100 -0.398 0.000 0.807 270 G HN 0.591 nan 8.290 nan 0.000 0.502 271 A N -1.393 121.287 122.820 -0.233 0.000 2.582 271 A HA 0.661 4.982 4.320 0.002 0.000 0.297 271 A C -0.765 176.680 177.584 -0.233 0.000 1.059 271 A CA -0.776 51.159 52.037 -0.170 0.000 0.705 271 A CB 0.706 19.647 19.000 -0.099 0.000 1.279 271 A HN 0.841 nan 8.150 nan 0.000 0.404 272 Y N 2.340 122.544 120.300 -0.160 0.000 2.309 272 Y HA 0.424 4.975 4.550 0.002 0.000 0.327 272 Y C -1.450 174.330 175.900 -0.199 0.000 1.172 272 Y CA -1.114 56.849 58.100 -0.228 0.000 1.280 272 Y CB 0.810 39.005 38.460 -0.442 0.000 1.234 272 Y HN 0.497 nan 8.280 nan 0.000 0.512 273 P HA 0.010 nan 4.420 nan 0.000 0.268 273 P C -0.453 176.810 177.300 -0.062 0.000 1.204 273 P CA -0.146 62.935 63.100 -0.031 0.000 0.768 273 P CB 1.317 33.010 31.700 -0.011 0.000 0.842 274 E N 2.104 122.267 120.200 -0.061 0.000 2.153 274 E HA -0.240 4.111 4.350 0.002 0.000 0.194 274 E C 1.306 177.868 176.600 -0.063 0.000 0.988 274 E CA 1.675 58.031 56.400 -0.073 0.000 0.811 274 E CB -0.784 28.882 29.700 -0.055 0.000 0.746 274 E HN 0.521 nan 8.360 nan 0.000 0.466 275 D N 1.211 121.586 120.400 -0.042 0.000 2.178 275 D HA -0.161 4.480 4.640 0.002 0.000 0.202 275 D C 1.957 178.246 176.300 -0.017 0.000 0.974 275 D CA 0.627 54.611 54.000 -0.026 0.000 0.841 275 D CB -0.424 40.365 40.800 -0.019 0.000 0.953 275 D HN 0.304 nan 8.370 nan 0.000 0.478 276 L N 0.828 122.035 121.223 -0.025 0.000 2.056 276 L HA -0.099 4.242 4.340 0.002 0.000 0.207 276 L C 2.313 179.171 176.870 -0.019 0.000 1.078 276 L CA 1.229 56.069 54.840 -0.001 0.000 0.749 276 L CB -0.491 41.565 42.059 -0.006 0.000 0.901 276 L HN -0.073 nan 8.230 nan 0.000 0.433 277 V N -0.006 119.819 119.914 -0.149 0.000 2.332 277 V HA -0.259 3.862 4.120 0.002 0.000 0.248 277 V C 2.735 178.824 176.094 -0.009 0.000 1.055 277 V CA 1.759 63.941 62.300 -0.196 0.000 1.038 277 V CB -0.838 30.802 31.823 -0.306 0.000 0.651 277 V HN 0.410 nan 8.190 nan 0.000 0.450 278 K N -0.042 120.349 120.400 -0.015 0.000 2.025 278 K HA -0.134 4.187 4.320 0.002 0.000 0.207 278 K C 1.887 178.512 176.600 0.043 0.000 1.049 278 K CA 1.437 57.731 56.287 0.012 0.000 0.933 278 K CB -0.841 31.657 32.500 -0.004 0.000 0.714 278 K HN 0.431 nan 8.250 nan 0.000 0.438 279 D N 0.372 120.801 120.400 0.048 0.000 2.190 279 D HA -0.117 4.524 4.640 0.002 0.000 0.200 279 D C 1.511 177.870 176.300 0.099 0.000 0.992 279 D CA 1.747 55.786 54.000 0.065 0.000 0.854 279 D CB -0.203 40.636 40.800 0.066 0.000 0.936 279 D HN 0.413 nan 8.370 nan 0.000 0.462 280 T N -2.795 111.851 114.554 0.154 0.000 3.105 280 T HA 0.494 4.845 4.350 0.002 0.000 0.253 280 T C 1.727 176.523 174.700 0.161 0.000 1.047 280 T CA 0.334 62.548 62.100 0.190 0.000 0.944 280 T CB 0.473 69.542 68.868 0.335 0.000 1.016 280 T HN 0.042 nan 8.240 nan 0.000 0.544 281 A N 1.719 124.614 122.820 0.125 0.000 1.978 281 A HA 0.190 4.511 4.320 0.002 0.000 0.220 281 A C 2.469 180.086 177.584 0.055 0.000 1.170 281 A CA 1.472 53.564 52.037 0.091 0.000 0.636 281 A CB -1.350 17.684 19.000 0.057 0.000 0.810 281 A HN 0.615 nan 8.150 nan 0.000 0.448 282 G N -1.508 107.320 108.800 0.047 0.000 2.650 282 G HA2 0.158 4.119 3.960 0.002 0.000 0.214 282 G HA3 0.158 4.119 3.960 0.002 0.000 0.214 282 G C 1.179 176.091 174.900 0.019 0.000 1.136 282 G CA 0.752 45.870 45.100 0.029 0.000 0.789 282 G HN 0.348 nan 8.290 nan 0.000 0.536 283 L N -0.659 120.576 121.223 0.020 0.000 2.286 283 L HA 0.366 4.707 4.340 0.002 0.000 0.203 283 L C 1.127 177.968 176.870 -0.049 0.000 1.068 283 L CA 1.004 55.837 54.840 -0.012 0.000 0.811 283 L CB 0.133 42.186 42.059 -0.011 0.000 0.989 283 L HN 0.144 nan 8.230 nan 0.000 0.467 284 T N -1.956 112.561 114.554 -0.062 0.000 2.840 284 T HA 0.276 4.627 4.350 0.002 0.000 0.317 284 T C -0.911 173.760 174.700 -0.048 0.000 1.401 284 T CA -0.304 61.725 62.100 -0.117 0.000 1.028 284 T CB 1.296 69.991 68.868 -0.288 0.000 1.317 284 T HN 0.225 nan 8.240 nan 0.000 0.495 285 D N 0.482 120.850 120.400 -0.054 0.000 2.363 285 D HA 0.089 4.730 4.640 0.002 0.000 0.214 285 D C 0.217 176.522 176.300 0.009 0.000 1.093 285 D CA -0.175 53.838 54.000 0.021 0.000 0.837 285 D CB -0.409 40.382 40.800 -0.015 0.000 0.948 285 D HN 0.721 nan 8.370 nan 0.000 0.507 286 W N 1.313 122.338 121.300 -0.458 0.000 5.121 286 W HA -0.273 4.389 4.660 0.002 0.000 0.372 286 W C 1.659 177.591 176.519 -0.977 0.000 1.394 286 W CA 0.654 57.359 57.345 -1.066 0.000 0.885 286 W CB -2.764 26.196 29.460 -0.833 0.000 2.520 286 W HN 0.211 nan 8.180 nan 0.000 1.455 287 S N -0.822 114.609 115.700 -0.449 0.000 2.442 287 S HA -0.221 4.250 4.470 0.002 0.000 0.236 287 S C 1.337 175.827 174.600 -0.184 0.000 1.007 287 S CA 1.349 59.418 58.200 -0.218 0.000 0.965 287 S CB -1.008 62.150 63.200 -0.069 0.000 0.773 287 S HN 0.477 nan 8.310 nan 0.000 0.504 288 F N 1.417 121.337 119.950 -0.050 0.000 2.699 288 F HA 0.382 4.910 4.527 0.002 0.000 0.298 288 F C 0.480 176.270 175.800 -0.017 0.000 1.154 288 F CA -0.544 57.450 58.000 -0.010 0.000 1.457 288 F CB -0.866 38.108 39.000 -0.043 0.000 1.106 288 F HN -0.060 nan 8.300 nan 0.000 0.585 289 V N 3.941 123.625 119.914 -0.383 0.000 2.352 289 V HA 0.174 4.295 4.120 0.002 0.000 0.253 289 V C 0.502 176.575 176.094 -0.035 0.000 1.083 289 V CA -0.618 61.478 62.300 -0.339 0.000 0.993 289 V CB -0.391 31.173 31.823 -0.431 0.000 1.111 289 V HN 0.249 nan 8.190 nan 0.000 0.490 290 R N 2.421 123.002 120.500 0.136 0.000 2.615 290 R HA 0.246 4.587 4.340 0.002 0.000 0.270 290 R C -0.234 176.130 176.300 0.106 0.000 1.081 290 R CA -0.849 55.322 56.100 0.117 0.000 1.154 290 R CB 0.666 31.057 30.300 0.151 0.000 1.063 290 R HN 0.540 nan 8.270 nan 0.000 0.519 291 D N -0.116 120.327 120.400 0.072 0.000 2.487 291 D HA 0.116 4.757 4.640 0.002 0.000 0.243 291 D C 1.111 177.458 176.300 0.079 0.000 1.154 291 D CA 2.188 56.224 54.000 0.061 0.000 0.876 291 D CB 0.519 41.344 40.800 0.042 0.000 1.161 291 D HN 0.676 nan 8.370 nan 0.000 0.478 292 G N 3.182 112.031 108.800 0.081 0.000 2.217 292 G HA2 -0.325 3.636 3.960 0.002 0.000 0.246 292 G HA3 -0.325 3.636 3.960 0.002 0.000 0.246 292 G C 1.150 176.120 174.900 0.117 0.000 0.990 292 G CA 0.375 45.526 45.100 0.085 0.000 0.627 292 G HN 0.552 nan 8.290 nan 0.000 0.522 293 D N 0.326 120.827 120.400 0.168 0.000 2.144 293 D HA -0.008 4.633 4.640 0.002 0.000 0.199 293 D C 2.597 179.032 176.300 0.225 0.000 0.984 293 D CA 0.766 54.912 54.000 0.242 0.000 0.834 293 D CB -0.105 40.956 40.800 0.434 0.000 0.955 293 D HN 0.334 nan 8.370 nan 0.000 0.465 294 L N 0.302 121.641 121.223 0.192 0.000 2.056 294 L HA -0.056 4.285 4.340 0.002 0.000 0.207 294 L C 2.325 179.267 176.870 0.121 0.000 1.078 294 L CA 1.273 56.191 54.840 0.129 0.000 0.749 294 L CB -0.745 41.359 42.059 0.074 0.000 0.901 294 L HN 0.049 nan 8.230 nan 0.000 0.433 295 R N -0.578 119.992 120.500 0.116 0.000 2.115 295 R HA -0.109 4.232 4.340 0.002 0.000 0.230 295 R C 2.339 178.700 176.300 0.101 0.000 1.111 295 R CA 0.836 57.007 56.100 0.118 0.000 0.976 295 R CB -0.116 30.233 30.300 0.081 0.000 0.870 295 R HN 0.297 nan 8.270 nan 0.000 0.445 296 L N -0.393 120.885 121.223 0.093 0.000 2.056 296 L HA -0.116 4.225 4.340 0.002 0.000 0.207 296 L C 2.525 179.440 176.870 0.074 0.000 1.078 296 L CA 1.178 56.058 54.840 0.067 0.000 0.749 296 L CB -0.454 41.649 42.059 0.073 0.000 0.901 296 L HN 0.245 nan 8.230 nan 0.000 0.433 297 A N -1.774 121.116 122.820 0.116 0.000 2.015 297 A HA -0.204 4.117 4.320 0.002 0.000 0.219 297 A C 1.468 179.174 177.584 0.202 0.000 1.163 297 A CA 0.634 52.760 52.037 0.148 0.000 0.646 297 A CB -0.763 18.317 19.000 0.133 0.000 0.806 297 A HN 0.475 nan 8.150 nan 0.000 0.448 298 H N 1.135 120.232 119.070 0.044 0.000 2.982 298 H HA 0.205 4.762 4.556 0.002 0.000 0.261 298 H C -0.654 174.683 175.328 0.015 0.000 1.603 298 H CA -0.485 55.582 56.048 0.032 0.000 1.398 298 H CB -0.112 29.659 29.762 0.015 0.000 1.693 298 H HN 0.340 nan 8.280 nan 0.000 0.535 299 Q N 2.963 122.777 119.800 0.024 0.000 2.306 299 Q HA 0.165 4.506 4.340 0.002 0.000 0.265 299 Q C -0.358 175.589 176.000 -0.088 0.000 1.022 299 Q CA -0.821 54.922 55.803 -0.099 0.000 0.853 299 Q CB 2.541 31.206 28.738 -0.123 0.000 1.327 299 Q HN 0.565 nan 8.270 nan 0.000 0.449 300 K N 2.378 122.702 120.400 -0.128 0.000 2.451 300 K HA 0.226 4.547 4.320 0.002 0.000 0.280 300 K C -0.725 175.841 176.600 -0.057 0.000 1.020 300 K CA 0.106 56.342 56.287 -0.085 0.000 1.008 300 K CB 0.321 32.772 32.500 -0.082 0.000 0.917 300 K HN 0.465 nan 8.250 nan 0.000 0.478 301 L N 3.342 124.542 121.223 -0.039 0.000 2.319 301 L HA 0.257 4.598 4.340 0.002 0.000 0.267 301 L C 0.819 177.660 176.870 -0.050 0.000 1.011 301 L CA -0.909 53.890 54.840 -0.069 0.000 0.818 301 L CB 1.741 43.746 42.059 -0.090 0.000 1.316 301 L HN 0.746 nan 8.230 nan 0.000 0.432 302 D N 0.881 121.236 120.400 -0.075 0.000 2.249 302 D HA 0.065 4.706 4.640 0.002 0.000 0.205 302 D C -0.327 176.090 176.300 0.195 0.000 0.962 302 D CA 1.359 55.397 54.000 0.063 0.000 0.860 302 D CB 0.531 41.417 40.800 0.143 0.000 0.955 302 D HN 0.327 nan 8.370 nan 0.000 0.505 303 F N -1.134 118.827 119.950 0.018 0.000 2.770 303 F HA 0.425 4.953 4.527 0.002 0.000 0.313 303 F C -2.096 173.702 175.800 -0.004 0.000 1.154 303 F CA -1.579 56.429 58.000 0.012 0.000 0.923 303 F CB 0.894 39.901 39.000 0.013 0.000 1.301 303 F HN -0.327 nan 8.300 nan 0.000 0.449 304 L N 2.418 123.761 121.223 0.201 0.000 2.307 304 L HA 0.883 5.224 4.340 0.002 0.000 0.284 304 L C -0.013 176.991 176.870 0.224 0.000 1.023 304 L CA -0.301 54.578 54.840 0.065 0.000 0.810 304 L CB 1.403 43.464 42.059 0.002 0.000 1.231 304 L HN 0.980 nan 8.230 nan 0.000 0.423 305 G N 4.856 113.733 108.800 0.128 0.000 2.339 305 G HA2 0.528 4.489 3.960 0.002 0.000 0.287 305 G HA3 0.528 4.489 3.960 0.002 0.000 0.287 305 G C -1.101 173.843 174.900 0.074 0.000 1.163 305 G CA -0.346 44.847 45.100 0.155 0.000 0.872 305 G HN 0.521 nan 8.290 nan 0.000 0.464 306 V N 3.449 123.417 119.914 0.091 0.000 2.417 306 V HA 0.322 4.443 4.120 0.002 0.000 0.291 306 V C 0.003 176.139 176.094 0.069 0.000 1.024 306 V CA -0.950 61.400 62.300 0.084 0.000 0.861 306 V CB 1.438 33.327 31.823 0.109 0.000 0.985 306 V HN 0.771 nan 8.190 nan 0.000 0.436 307 N N 3.388 122.122 118.700 0.058 0.000 2.372 307 N HA 0.628 5.369 4.740 0.002 0.000 0.291 307 N C -1.743 173.802 175.510 0.058 0.000 1.024 307 N CA -0.542 52.514 53.050 0.009 0.000 0.873 307 N CB 2.119 40.614 38.487 0.012 0.000 1.206 307 N HN 0.729 nan 8.380 nan 0.000 0.486 308 Y N 2.325 122.495 120.300 -0.218 0.000 2.479 308 Y HA 0.284 4.835 4.550 0.002 0.000 0.338 308 Y C -1.346 174.380 175.900 -0.290 0.000 1.055 308 Y CA -0.438 57.586 58.100 -0.126 0.000 1.023 308 Y CB 0.881 39.350 38.460 0.016 0.000 1.287 308 Y HN 0.583 nan 8.280 nan 0.000 0.447 309 Y N 1.751 121.565 120.300 -0.810 0.000 2.728 309 Y HA 0.421 4.973 4.550 0.002 0.000 0.267 309 Y C 0.590 176.159 175.900 -0.551 0.000 1.169 309 Y CA 0.400 58.252 58.100 -0.414 0.000 1.168 309 Y CB 1.132 39.531 38.460 -0.101 0.000 1.370 309 Y HN 0.500 nan 8.280 nan 0.000 0.482 310 S N -0.395 114.902 115.700 -0.672 0.000 2.565 310 S HA 0.582 5.053 4.470 0.002 0.000 0.269 310 S C -3.056 171.480 174.600 -0.106 0.000 1.153 310 S CA -1.320 56.735 58.200 -0.243 0.000 0.835 310 S CB 1.223 64.395 63.200 -0.047 0.000 1.122 310 S HN -0.208 nan 8.310 nan 0.000 0.462 311 P HA 0.410 nan 4.420 nan 0.000 0.274 311 P C -1.136 176.254 177.300 0.149 0.000 1.256 311 P CA -0.279 62.989 63.100 0.280 0.000 0.795 311 P CB 0.541 32.433 31.700 0.321 0.000 1.038 312 T N 1.463 116.109 114.554 0.153 0.000 2.812 312 T HA 0.478 4.829 4.350 0.002 0.000 0.282 312 T C -0.891 173.858 174.700 0.082 0.000 0.990 312 T CA -0.266 61.918 62.100 0.140 0.000 0.960 312 T CB 0.446 69.424 68.868 0.182 0.000 0.948 312 T HN 0.121 nan 8.240 nan 0.000 0.438 313 L N 5.996 127.278 121.223 0.098 0.000 2.325 313 L HA 0.792 5.133 4.340 0.002 0.000 0.281 313 L C -0.485 176.367 176.870 -0.031 0.000 1.004 313 L CA -0.612 54.262 54.840 0.056 0.000 0.823 313 L CB 1.056 43.194 42.059 0.132 0.000 1.236 313 L HN 0.555 nan 8.230 nan 0.000 0.415 314 V N 1.832 121.660 119.914 -0.143 0.000 3.074 314 V HA 1.045 5.166 4.120 0.002 0.000 0.314 314 V C -0.412 175.615 176.094 -0.110 0.000 1.117 314 V CA -0.009 62.094 62.300 -0.329 0.000 1.014 314 V CB 1.692 33.109 31.823 -0.677 0.000 1.057 314 V HN 0.938 nan 8.190 nan 0.000 0.438 334 S N 3.182 118.962 115.700 0.134 0.000 2.585 334 S HA 0.346 4.817 4.470 0.002 0.000 0.277 334 S C -1.691 172.932 174.600 0.039 0.000 1.241 334 S CA -1.293 56.979 58.200 0.120 0.000 1.041 334 S CB 1.055 64.373 63.200 0.196 0.000 0.987 334 S HN 0.507 nan 8.310 nan 0.000 0.512 335 P HA 0.247 nan 4.420 nan 0.000 0.262 335 P C -0.990 176.001 177.300 -0.515 0.000 1.304 335 P CA 0.024 62.906 63.100 -0.364 0.000 0.859 335 P CB -0.198 31.162 31.700 -0.566 0.000 1.310 336 W N 1.683 123.021 121.300 0.062 0.000 2.317 336 W HA 0.387 5.047 4.660 0.001 0.000 0.290 336 W C -2.560 173.990 176.519 0.052 0.000 0.937 336 W CA -2.588 54.780 57.345 0.038 0.000 1.790 336 W CB 0.365 29.905 29.460 0.133 0.000 1.847 336 W HN -0.101 nan 8.180 nan 0.000 0.411 337 P HA 0.037 nan 4.420 nan 0.000 0.261 337 P C 1.081 178.481 177.300 0.167 0.000 1.183 337 P CA 1.628 64.831 63.100 0.172 0.000 0.761 337 P CB 0.665 32.467 31.700 0.171 0.000 0.785 338 G N 3.124 112.005 108.800 0.134 0.000 2.184 338 G HA2 -0.268 3.693 3.960 0.002 0.000 0.264 338 G HA3 -0.268 3.693 3.960 0.002 0.000 0.264 338 G C 0.616 175.578 174.900 0.104 0.000 0.975 338 G CA 0.158 45.323 45.100 0.109 0.000 0.642 338 G HN 0.788 nan 8.290 nan 0.000 0.536 339 A N 0.183 123.088 122.820 0.142 0.000 2.827 339 A HA 0.541 4.862 4.320 0.002 0.000 0.300 339 A C 1.244 178.889 177.584 0.102 0.000 1.237 339 A CA 0.749 52.849 52.037 0.105 0.000 0.964 339 A CB 0.049 19.121 19.000 0.120 0.000 1.143 339 A HN 0.309 nan 8.150 nan 0.000 0.554 340 D N 0.466 120.923 120.400 0.095 0.000 2.350 340 D HA -0.085 4.556 4.640 0.002 0.000 0.216 340 D C 1.174 177.502 176.300 0.046 0.000 0.968 340 D CA 0.633 54.685 54.000 0.086 0.000 0.894 340 D CB 0.154 40.998 40.800 0.073 0.000 0.909 340 D HN 0.510 nan 8.370 nan 0.000 0.520 341 R N 0.631 121.143 120.500 0.019 0.000 2.356 341 R HA 0.150 4.491 4.340 0.002 0.000 0.234 341 R C 0.065 176.337 176.300 -0.046 0.000 0.929 341 R CA 0.011 56.107 56.100 -0.007 0.000 1.084 341 R CB 0.824 31.118 30.300 -0.010 0.000 1.105 341 R HN -0.039 nan 8.270 nan 0.000 0.515 342 V N 0.931 120.804 119.914 -0.069 0.000 2.513 342 V HA 0.585 4.706 4.120 0.002 0.000 0.299 342 V C -0.034 175.945 176.094 -0.192 0.000 1.035 342 V CA -1.000 61.183 62.300 -0.194 0.000 0.889 342 V CB 1.670 33.292 31.823 -0.335 0.000 0.988 342 V HN 0.171 nan 8.190 nan 0.000 0.440 343 A N 3.985 126.632 122.820 -0.288 0.000 2.350 343 A HA 0.920 5.241 4.320 0.002 0.000 0.324 343 A C -1.179 176.021 177.584 -0.639 0.000 1.118 343 A CA -0.386 51.489 52.037 -0.270 0.000 0.783 343 A CB 0.886 19.790 19.000 -0.160 0.000 1.236 343 A HN 0.580 nan 8.150 nan 0.000 0.457 344 F N 1.522 121.186 119.950 -0.478 0.000 2.458 344 F HA 0.563 5.091 4.527 0.001 0.000 0.330 344 F C 0.743 176.164 175.800 -0.632 0.000 1.082 344 F CA 0.075 57.802 58.000 -0.454 0.000 0.995 344 F CB 1.648 40.533 39.000 -0.191 0.000 1.170 344 F HN 0.517 nan 8.300 nan 0.000 0.478 345 H N 0.190 119.353 119.070 0.154 0.000 2.865 345 H HA 0.234 4.791 4.556 0.002 0.000 0.372 345 H C -1.146 174.262 175.328 0.134 0.000 1.173 345 H CA -1.002 55.115 56.048 0.116 0.000 1.147 345 H CB 1.867 31.660 29.762 0.052 0.000 1.805 345 H HN 0.375 nan 8.280 nan 0.000 0.553 346 Q N 2.592 122.544 119.800 0.252 0.000 2.296 346 Q HA 0.230 4.571 4.340 0.002 0.000 0.263 346 Q C -2.476 173.633 176.000 0.182 0.000 1.026 346 Q CA -1.271 54.652 55.803 0.201 0.000 0.912 346 Q CB 0.457 29.301 28.738 0.176 0.000 1.198 346 Q HN 0.260 nan 8.270 nan 0.000 0.407 347 P HA 0.165 nan 4.420 nan 0.000 0.271 347 P C -2.535 174.854 177.300 0.148 0.000 1.218 347 P CA -0.999 62.195 63.100 0.157 0.000 0.780 347 P CB 0.215 32.017 31.700 0.169 0.000 0.901 348 P HA 0.322 nan 4.420 nan 0.000 0.271 348 P C 0.026 177.404 177.300 0.130 0.000 1.218 348 P CA 0.425 63.593 63.100 0.114 0.000 0.780 348 P CB 0.666 32.419 31.700 0.088 0.000 0.901 349 G N 0.803 109.679 108.800 0.126 0.000 2.347 349 G HA2 -0.040 3.921 3.960 0.002 0.000 0.477 349 G HA3 -0.040 3.921 3.960 0.002 0.000 0.477 349 G C -1.111 173.880 174.900 0.153 0.000 1.349 349 G CA -0.852 44.331 45.100 0.139 0.000 1.000 349 G HN 0.494 nan 8.290 nan 0.000 0.605 350 E N -0.310 119.989 120.200 0.164 0.000 2.425 350 E HA 0.456 4.807 4.350 0.002 0.000 0.258 350 E C 0.744 177.469 176.600 0.209 0.000 1.151 350 E CA 0.761 57.267 56.400 0.176 0.000 0.958 350 E CB 0.636 30.450 29.700 0.191 0.000 0.968 350 E HN 0.748 nan 8.360 nan 0.000 0.451 351 T N -1.696 112.974 114.554 0.193 0.000 2.924 351 T HA 0.481 4.832 4.350 0.002 0.000 0.291 351 T C 0.173 174.943 174.700 0.118 0.000 1.045 351 T CA -0.968 61.233 62.100 0.169 0.000 1.015 351 T CB 1.673 70.620 68.868 0.131 0.000 1.103 351 T HN 0.525 nan 8.240 nan 0.000 0.496 352 T N -1.368 113.153 114.554 -0.055 0.000 2.888 352 T HA 0.645 4.996 4.350 0.002 0.000 0.283 352 T C 1.823 176.255 174.700 -0.447 0.000 1.013 352 T CA -0.346 61.489 62.100 -0.441 0.000 0.938 352 T CB 0.383 68.807 68.868 -0.739 0.000 1.298 352 T HN 0.911 nan 8.240 nan 0.000 0.580 353 A N 0.066 122.452 122.820 -0.724 0.000 2.070 353 A HA 0.039 4.360 4.320 0.002 0.000 0.220 353 A C 2.217 179.476 177.584 -0.542 0.000 1.159 353 A CA 1.035 52.692 52.037 -0.632 0.000 0.656 353 A CB -0.923 17.432 19.000 -1.075 0.000 0.800 353 A HN 0.736 nan 8.150 nan 0.000 0.453 354 M N -1.779 117.343 119.600 -0.797 0.000 2.558 354 M HA 0.113 4.594 4.480 0.002 0.000 0.255 354 M C 1.636 177.597 176.300 -0.565 0.000 1.113 354 M CA 1.055 55.772 55.300 -0.973 0.000 1.097 354 M CB -1.040 30.291 32.600 -2.115 0.000 1.426 354 M HN 0.784 nan 8.290 nan 0.000 0.488 355 G N -0.566 108.048 108.800 -0.310 0.000 2.176 355 G HA2 -0.181 3.780 3.960 0.002 0.000 0.253 355 G HA3 -0.181 3.780 3.960 0.002 0.000 0.253 355 G C -0.417 174.587 174.900 0.173 0.000 0.979 355 G CA -0.274 44.815 45.100 -0.019 0.000 0.641 355 G HN 0.371 nan 8.290 nan 0.000 0.530 356 W N 1.025 122.330 121.300 0.008 0.000 2.218 356 W HA 0.748 5.408 4.660 0.001 0.000 0.326 356 W C 0.726 177.302 176.519 0.095 0.000 1.276 356 W CA -1.200 56.176 57.345 0.051 0.000 1.210 356 W CB 0.196 29.676 29.460 0.034 0.000 1.143 356 W HN 0.584 nan 8.180 nan 0.000 0.563 357 A N 2.224 125.259 122.820 0.357 0.000 2.462 357 A HA 0.424 4.745 4.320 0.002 0.000 0.243 357 A C -0.463 177.329 177.584 0.348 0.000 1.076 357 A CA -0.423 51.789 52.037 0.291 0.000 0.773 357 A CB 0.273 19.416 19.000 0.237 0.000 1.010 357 A HN 0.408 nan 8.150 nan 0.000 0.493 358 V N 3.322 123.441 119.914 0.343 0.000 2.333 358 V HA 0.396 4.517 4.120 0.002 0.000 0.274 358 V C -0.522 175.756 176.094 0.307 0.000 1.028 358 V CA -0.059 62.493 62.300 0.420 0.000 0.851 358 V CB 1.067 33.156 31.823 0.443 0.000 1.000 358 V HN 0.916 nan 8.190 nan 0.000 0.456 359 D N 6.484 127.082 120.400 0.329 0.000 2.337 359 D HA 0.357 4.998 4.640 0.002 0.000 0.238 359 D C -2.168 174.208 176.300 0.126 0.000 1.331 359 D CA -1.446 52.676 54.000 0.203 0.000 0.967 359 D CB 2.531 43.471 40.800 0.233 0.000 1.382 359 D HN 0.158 nan 8.370 nan 0.000 0.549 360 P HA -0.106 nan 4.420 nan 0.000 0.222 360 P C 1.390 178.585 177.300 -0.175 0.000 1.147 360 P CA 0.857 63.634 63.100 -0.538 0.000 0.790 360 P CB 0.272 31.603 31.700 -0.616 0.000 0.780 361 S N -1.166 114.499 115.700 -0.058 0.000 2.423 361 S HA -0.068 4.403 4.470 0.002 0.000 0.231 361 S C 2.240 176.826 174.600 -0.023 0.000 1.014 361 S CA 1.241 59.443 58.200 0.004 0.000 0.965 361 S CB -1.764 61.457 63.200 0.035 0.000 0.785 361 S HN 0.198 nan 8.310 nan 0.000 0.495 362 G N 1.664 110.451 108.800 -0.022 0.000 2.408 362 G HA2 -0.074 3.887 3.960 0.002 0.000 0.217 362 G HA3 -0.074 3.887 3.960 0.002 0.000 0.217 362 G C 1.340 175.833 174.900 -0.679 0.000 1.150 362 G CA 0.926 45.921 45.100 -0.174 0.000 0.776 362 G HN 0.482 nan 8.290 nan 0.000 0.542 363 L N -0.497 120.292 121.223 -0.724 0.000 2.056 363 L HA 0.073 4.414 4.340 0.002 0.000 0.207 363 L C 2.474 179.139 176.870 -0.341 0.000 1.078 363 L CA 1.579 55.957 54.840 -0.771 0.000 0.749 363 L CB -0.891 40.943 42.059 -0.375 0.000 0.901 363 L HN 0.349 nan 8.230 nan 0.000 0.433 364 Y N 0.716 120.853 120.300 -0.271 0.000 2.097 364 Y HA -0.265 4.286 4.550 0.001 0.000 0.282 364 Y C 2.403 178.194 175.900 -0.181 0.000 1.152 364 Y CA 2.316 60.319 58.100 -0.162 0.000 1.136 364 Y CB -0.277 38.117 38.460 -0.111 0.000 0.975 364 Y HN 0.373 nan 8.280 nan 0.000 0.498 365 E N 0.347 120.376 120.200 -0.286 0.000 2.077 365 E HA -0.234 4.117 4.350 0.002 0.000 0.193 365 E C 2.291 178.664 176.600 -0.378 0.000 0.989 365 E CA 1.374 57.577 56.400 -0.329 0.000 0.800 365 E CB -0.390 29.206 29.700 -0.173 0.000 0.746 365 E HN 0.630 nan 8.360 nan 0.000 0.452 366 L N 0.814 121.705 121.223 -0.553 0.000 2.046 366 L HA -0.199 4.142 4.340 0.002 0.000 0.208 366 L C 2.145 178.923 176.870 -0.154 0.000 1.077 366 L CA 1.273 55.946 54.840 -0.278 0.000 0.747 366 L CB -0.110 41.761 42.059 -0.313 0.000 0.896 366 L HN 0.143 nan 8.230 nan 0.000 0.432 367 L N -0.431 120.660 121.223 -0.219 0.000 2.093 367 L HA -0.145 4.196 4.340 0.002 0.000 0.208 367 L C 2.917 179.685 176.870 -0.170 0.000 1.085 367 L CA 0.678 55.432 54.840 -0.144 0.000 0.755 367 L CB -0.614 41.362 42.059 -0.137 0.000 0.904 367 L HN 0.268 nan 8.230 nan 0.000 0.435 368 R N -0.031 120.281 120.500 -0.314 0.000 2.092 368 R HA -0.131 4.210 4.340 0.002 0.000 0.231 368 R C 2.213 178.433 176.300 -0.133 0.000 1.119 368 R CA 1.097 57.034 56.100 -0.271 0.000 0.970 368 R CB -0.678 29.378 30.300 -0.407 0.000 0.864 368 R HN 0.376 nan 8.270 nan 0.000 0.440 369 R N 0.728 121.173 120.500 -0.091 0.000 2.075 369 R HA 0.007 4.348 4.340 0.002 0.000 0.232 369 R C 2.301 178.582 176.300 -0.031 0.000 1.126 369 R CA 0.929 57.007 56.100 -0.037 0.000 0.963 369 R CB -0.195 30.122 30.300 0.030 0.000 0.858 369 R HN 0.129 nan 8.270 nan 0.000 0.435 370 L N 0.237 121.479 121.223 0.033 0.000 2.083 370 L HA -0.128 4.213 4.340 0.002 0.000 0.209 370 L C 2.395 179.325 176.870 0.100 0.000 1.083 370 L CA 1.239 56.169 54.840 0.150 0.000 0.752 370 L CB -0.277 41.904 42.059 0.204 0.000 0.899 370 L HN 0.215 nan 8.230 nan 0.000 0.433 371 S N -1.023 114.694 115.700 0.028 0.000 2.423 371 S HA -0.176 4.295 4.470 0.002 0.000 0.231 371 S C 2.184 176.768 174.600 -0.027 0.000 1.014 371 S CA 1.492 59.702 58.200 0.016 0.000 0.965 371 S CB -0.077 63.114 63.200 -0.016 0.000 0.785 371 S HN 0.423 nan 8.310 nan 0.000 0.495 372 S N 1.275 116.931 115.700 -0.075 0.000 2.362 372 S HA -0.095 4.376 4.470 0.002 0.000 0.221 372 S C 1.410 175.892 174.600 -0.196 0.000 1.032 372 S CA 1.053 59.189 58.200 -0.107 0.000 0.973 372 S CB -0.346 62.794 63.200 -0.099 0.000 0.849 372 S HN 0.371 nan 8.310 nan 0.000 0.465 373 D N 0.316 120.503 120.400 -0.354 0.000 2.149 373 D HA 0.062 4.703 4.640 0.002 0.000 0.201 373 D C -0.238 175.485 176.300 -0.960 0.000 0.972 373 D CA 0.907 54.443 54.000 -0.773 0.000 0.835 373 D CB -0.065 40.016 40.800 -1.199 0.000 0.966 373 D HN 0.475 nan 8.370 nan 0.000 0.476 374 F N 0.107 120.069 119.950 0.020 0.000 2.646 374 F HA 0.273 4.800 4.527 0.001 0.000 0.336 374 F C -1.709 174.109 175.800 0.030 0.000 1.437 374 F CA -1.928 56.090 58.000 0.029 0.000 1.142 374 F CB 1.345 40.368 39.000 0.039 0.000 1.530 374 F HN -0.191 nan 8.300 nan 0.000 0.591 375 P HA -0.176 nan 4.420 nan 0.000 0.218 375 P C 1.184 178.539 177.300 0.092 0.000 1.148 375 P CA 1.438 64.583 63.100 0.075 0.000 0.822 375 P CB 0.415 32.134 31.700 0.031 0.000 0.784 376 A N -1.122 121.764 122.820 0.110 0.000 2.307 376 A HA 0.185 4.506 4.320 0.002 0.000 0.218 376 A C 0.846 178.496 177.584 0.109 0.000 1.228 376 A CA -0.110 51.985 52.037 0.096 0.000 0.857 376 A CB -0.704 18.346 19.000 0.084 0.000 0.897 376 A HN 0.187 nan 8.150 nan 0.000 0.495 377 L N 1.203 122.511 121.223 0.141 0.000 2.277 377 L HA 0.516 4.857 4.340 0.002 0.000 0.284 377 L C -2.798 174.155 176.870 0.139 0.000 1.028 377 L CA -2.424 52.495 54.840 0.132 0.000 0.835 377 L CB 1.000 43.134 42.059 0.126 0.000 1.215 377 L HN -0.115 nan 8.230 nan 0.000 0.425 378 P HA 0.159 nan 4.420 nan 0.000 0.267 378 P C -1.106 176.303 177.300 0.183 0.000 1.200 378 P CA 0.202 63.391 63.100 0.149 0.000 0.772 378 P CB 0.509 32.303 31.700 0.156 0.000 0.855 379 L N 1.945 123.252 121.223 0.141 0.000 2.346 379 L HA 0.638 4.979 4.340 0.002 0.000 0.274 379 L C -0.557 176.368 176.870 0.091 0.000 1.007 379 L CA -1.011 53.918 54.840 0.148 0.000 0.818 379 L CB 2.059 44.197 42.059 0.131 0.000 1.284 379 L HN 0.038 nan 8.230 nan 0.000 0.424 380 V N 3.717 123.696 119.914 0.108 0.000 2.577 380 V HA 0.356 4.477 4.120 0.002 0.000 0.303 380 V C -0.096 176.062 176.094 0.107 0.000 1.042 380 V CA -0.515 61.792 62.300 0.011 0.000 0.872 380 V CB 2.519 34.213 31.823 -0.215 0.000 0.998 380 V HN 0.450 nan 8.190 nan 0.000 0.423 381 I N 4.844 125.500 120.570 0.143 0.000 2.311 381 I HA 0.107 4.278 4.170 0.002 0.000 0.297 381 I C 1.682 177.869 176.117 0.116 0.000 1.131 381 I CA 0.389 61.776 61.300 0.145 0.000 1.289 381 I CB 0.553 38.689 38.000 0.228 0.000 1.446 381 I HN 0.839 nan 8.210 nan 0.000 0.524 382 T N 1.946 116.534 114.554 0.056 0.000 3.088 382 T HA 0.169 4.520 4.350 0.002 0.000 0.259 382 T C 0.602 175.316 174.700 0.023 0.000 1.122 382 T CA 0.295 62.374 62.100 -0.034 0.000 1.095 382 T CB 0.315 69.120 68.868 -0.104 0.000 0.930 382 T HN 0.563 nan 8.240 nan 0.000 0.508 383 E N 0.565 120.767 120.200 0.002 0.000 2.343 383 E HA 0.519 4.870 4.350 0.002 0.000 0.286 383 E C -1.706 174.765 176.600 -0.216 0.000 0.915 383 E CA -0.705 55.697 56.400 0.003 0.000 0.784 383 E CB 1.684 31.393 29.700 0.016 0.000 1.251 383 E HN 0.225 nan 8.360 nan 0.000 0.407 384 N N 1.463 120.054 118.700 -0.181 0.000 2.516 384 N HA 0.656 5.396 4.740 0.002 0.000 0.268 384 N C -1.253 174.350 175.510 0.155 0.000 1.096 384 N CA -0.065 52.874 53.050 -0.185 0.000 0.954 384 N CB 2.066 40.616 38.487 0.105 0.000 1.676 384 N HN 0.635 nan 8.380 nan 0.000 0.490 385 G N 0.512 109.481 108.800 0.282 0.000 2.321 385 G HA2 0.775 4.736 3.960 0.002 0.000 0.296 385 G HA3 0.775 4.736 3.960 0.002 0.000 0.296 385 G C -1.953 172.992 174.900 0.076 0.000 1.287 385 G CA -0.014 45.300 45.100 0.356 0.000 0.846 385 G HN 0.946 nan 8.290 nan 0.000 0.508 386 A N -1.457 121.334 122.820 -0.049 0.000 2.574 386 A HA 0.992 5.313 4.320 0.002 0.000 0.297 386 A C -0.310 176.744 177.584 -0.882 0.000 1.062 386 A CA 0.319 52.021 52.037 -0.559 0.000 0.686 386 A CB 1.322 19.665 19.000 -1.094 0.000 1.285 386 A HN 2.444 nan 8.150 nan 0.000 0.403 387 A N 0.921 122.794 122.820 -1.578 0.000 2.290 387 A HA 0.856 5.177 4.320 0.002 0.000 0.310 387 A C -0.935 175.864 177.584 -1.308 0.000 1.202 387 A CA -0.148 50.954 52.037 -1.558 0.000 0.837 387 A CB -0.029 17.867 19.000 -1.841 0.000 1.139 387 A HN 0.831 nan 8.150 nan 0.000 0.509 388 F N 0.058 119.689 119.950 -0.531 0.000 2.613 388 F HA 0.340 4.868 4.527 0.002 0.000 0.314 388 F C 0.372 175.956 175.800 -0.361 0.000 1.075 388 F CA -0.683 57.072 58.000 -0.408 0.000 0.945 388 F CB 1.806 40.677 39.000 -0.214 0.000 1.310 388 F HN 0.554 nan 8.300 nan 0.000 0.467 389 H N 1.848 121.018 119.070 0.166 0.000 2.998 389 H HA 0.123 4.679 4.556 0.001 0.000 0.241 389 H C -0.743 174.710 175.328 0.207 0.000 1.852 389 H CA -0.181 55.949 56.048 0.138 0.000 1.419 389 H CB -0.756 29.073 29.762 0.111 0.000 1.793 389 H HN 0.445 nan 8.280 nan 0.000 0.553 390 D N 1.852 122.394 120.400 0.237 0.000 2.382 390 D HA 0.102 4.742 4.640 0.002 0.000 0.240 390 D C 0.545 176.990 176.300 0.242 0.000 1.146 390 D CA 0.358 54.451 54.000 0.155 0.000 0.897 390 D CB 1.002 41.870 40.800 0.112 0.000 1.197 390 D HN 0.492 nan 8.370 nan 0.000 0.432 391 Y N -2.469 117.809 120.300 -0.035 0.000 2.581 391 Y HA 0.608 5.159 4.550 0.002 0.000 0.337 391 Y C -1.405 174.297 175.900 -0.330 0.000 1.108 391 Y CA -1.559 56.472 58.100 -0.115 0.000 1.033 391 Y CB 0.895 39.336 38.460 -0.032 0.000 1.318 391 Y HN 0.331 nan 8.280 nan 0.000 0.459 392 A N 2.620 125.236 122.820 -0.340 0.000 2.274 392 A HA 0.540 4.861 4.320 0.002 0.000 0.309 392 A C -0.597 176.961 177.584 -0.044 0.000 1.226 392 A CA -0.386 51.415 52.037 -0.394 0.000 0.853 392 A CB -0.156 18.562 19.000 -0.470 0.000 1.146 392 A HN 0.810 nan 8.150 nan 0.000 0.518 393 D N 2.636 123.010 120.400 -0.043 0.000 2.433 393 D HA 0.350 4.991 4.640 0.002 0.000 0.255 393 D C -2.105 174.206 176.300 0.020 0.000 1.226 393 D CA -1.793 52.255 54.000 0.081 0.000 1.015 393 D CB -0.227 40.621 40.800 0.079 0.000 1.091 393 D HN 0.156 nan 8.370 nan 0.000 0.527 394 P HA -0.095 nan 4.420 nan 0.000 0.219 394 P C 0.337 177.635 177.300 -0.004 0.000 1.146 394 P CA 1.185 64.290 63.100 0.010 0.000 0.808 394 P CB 0.129 31.835 31.700 0.011 0.000 0.779 395 E N -1.729 118.465 120.200 -0.011 0.000 2.489 395 E HA 0.253 4.603 4.350 0.002 0.000 0.193 395 E C 1.352 177.932 176.600 -0.033 0.000 1.057 395 E CA 0.560 56.949 56.400 -0.020 0.000 0.866 395 E CB -0.730 28.958 29.700 -0.019 0.000 0.916 395 E HN 0.130 nan 8.360 nan 0.000 0.500 396 G N 0.833 109.607 108.800 -0.044 0.000 2.136 396 G HA2 -0.317 3.644 3.960 0.002 0.000 0.242 396 G HA3 -0.317 3.644 3.960 0.002 0.000 0.242 396 G C -0.197 174.645 174.900 -0.096 0.000 0.989 396 G CA 0.094 45.157 45.100 -0.062 0.000 0.682 396 G HN 0.367 nan 8.290 nan 0.000 0.522 397 N N -1.108 117.523 118.700 -0.115 0.000 2.466 397 N HA 0.625 5.366 4.740 0.002 0.000 0.294 397 N C -0.607 174.755 175.510 -0.245 0.000 1.129 397 N CA -0.716 52.248 53.050 -0.143 0.000 0.931 397 N CB 2.396 40.818 38.487 -0.108 0.000 1.193 397 N HN 0.040 nan 8.380 nan 0.000 0.500 398 V N 2.125 121.885 119.914 -0.258 0.000 2.380 398 V HA 0.291 4.412 4.120 0.002 0.000 0.286 398 V C -0.783 175.149 176.094 -0.270 0.000 1.015 398 V CA -0.892 61.191 62.300 -0.361 0.000 0.834 398 V CB 0.805 32.410 31.823 -0.364 0.000 1.009 398 V HN 0.668 nan 8.190 nan 0.000 0.428 399 N N 4.485 122.984 118.700 -0.335 0.000 2.422 399 N HA 0.375 5.116 4.740 0.002 0.000 0.266 399 N C -0.763 174.605 175.510 -0.236 0.000 1.007 399 N CA -0.330 52.579 53.050 -0.236 0.000 0.941 399 N CB 1.993 40.358 38.487 -0.204 0.000 1.115 399 N HN 0.802 nan 8.380 nan 0.000 0.492 400 D N 1.247 121.541 120.400 -0.177 0.000 2.739 400 D HA 0.153 4.794 4.640 0.002 0.000 0.335 400 D C -1.942 174.218 176.300 -0.233 0.000 1.216 400 D CA -1.322 52.562 54.000 -0.193 0.000 0.808 400 D CB 1.018 41.746 40.800 -0.120 0.000 1.121 400 D HN 0.246 nan 8.370 nan 0.000 0.499 401 P HA -0.156 nan 4.420 nan 0.000 0.220 401 P C 1.035 178.145 177.300 -0.316 0.000 1.148 401 P CA 0.940 63.894 63.100 -0.244 0.000 0.803 401 P CB 0.627 32.219 31.700 -0.181 0.000 0.782 402 E N -0.127 119.795 120.200 -0.465 0.000 2.150 402 E HA -0.146 4.205 4.350 0.002 0.000 0.193 402 E C 2.399 178.629 176.600 -0.616 0.000 0.985 402 E CA 0.734 56.715 56.400 -0.699 0.000 0.814 402 E CB -0.310 28.578 29.700 -1.353 0.000 0.752 402 E HN 0.170 nan 8.360 nan 0.000 0.466 403 R N 0.702 120.910 120.500 -0.487 0.000 2.090 403 R HA -0.047 4.294 4.340 0.002 0.000 0.228 403 R C 2.160 178.435 176.300 -0.042 0.000 1.110 403 R CA 0.844 56.942 56.100 -0.004 0.000 0.973 403 R CB -0.073 30.277 30.300 0.083 0.000 0.869 403 R HN 0.140 nan 8.270 nan 0.000 0.440 404 I N 0.856 121.270 120.570 -0.260 0.000 2.226 404 I HA -0.254 3.917 4.170 0.002 0.000 0.245 404 I C 2.515 178.326 176.117 -0.510 0.000 1.100 404 I CA 1.330 62.270 61.300 -0.599 0.000 1.374 404 I CB -0.404 37.139 38.000 -0.762 0.000 1.057 404 I HN 0.312 nan 8.210 nan 0.000 0.413 405 A N 0.160 122.821 122.820 -0.265 0.000 1.902 405 A HA -0.290 4.031 4.320 0.002 0.000 0.217 405 A C 2.286 179.912 177.584 0.070 0.000 1.181 405 A CA 1.607 53.577 52.037 -0.112 0.000 0.623 405 A CB -1.043 17.916 19.000 -0.068 0.000 0.818 405 A HN 0.513 nan 8.150 nan 0.000 0.443 406 Y N 0.717 121.063 120.300 0.078 0.000 2.114 406 Y HA -0.201 4.350 4.550 0.002 0.000 0.284 406 Y C 2.385 178.483 175.900 0.329 0.000 1.143 406 Y CA 2.107 60.373 58.100 0.278 0.000 1.135 406 Y CB -0.459 38.205 38.460 0.340 0.000 0.980 406 Y HN 0.062 nan 8.280 nan 0.000 0.499 407 V N 1.252 121.449 119.914 0.471 0.000 2.343 407 V HA -0.301 3.820 4.120 0.002 0.000 0.247 407 V C 2.574 178.881 176.094 0.354 0.000 1.051 407 V CA 2.262 64.831 62.300 0.448 0.000 1.036 407 V CB -0.810 31.260 31.823 0.410 0.000 0.654 407 V HN 0.377 nan 8.190 nan 0.000 0.451 408 R N 0.155 120.773 120.500 0.197 0.000 2.083 408 R HA -0.215 4.126 4.340 0.002 0.000 0.237 408 R C 2.056 178.486 176.300 0.217 0.000 1.137 408 R CA 2.293 58.567 56.100 0.291 0.000 0.951 408 R CB -0.427 29.939 30.300 0.110 0.000 0.851 408 R HN 0.496 nan 8.270 nan 0.000 0.434 409 D N -0.474 120.009 120.400 0.138 0.000 2.117 409 D HA -0.139 4.502 4.640 0.002 0.000 0.197 409 D C 1.861 178.168 176.300 0.012 0.000 0.987 409 D CA 1.425 55.456 54.000 0.051 0.000 0.829 409 D CB -0.398 40.396 40.800 -0.010 0.000 0.961 409 D HN 0.444 nan 8.370 nan 0.000 0.460 410 H N -0.198 118.894 119.070 0.035 0.000 2.428 410 H HA 0.126 4.683 4.556 0.002 0.000 0.296 410 H C 2.118 177.559 175.328 0.188 0.000 1.062 410 H CA 0.490 56.599 56.048 0.101 0.000 1.350 410 H CB -0.139 29.699 29.762 0.126 0.000 1.403 410 H HN 0.073 nan 8.280 nan 0.000 0.533 411 L N -0.366 121.031 121.223 0.290 0.000 2.141 411 L HA -0.100 4.241 4.340 0.002 0.000 0.209 411 L C 2.533 179.638 176.870 0.393 0.000 1.094 411 L CA 0.773 55.788 54.840 0.291 0.000 0.763 411 L CB -0.365 41.830 42.059 0.227 0.000 0.908 411 L HN 0.339 nan 8.230 nan 0.000 0.437 412 A N -0.020 122.951 122.820 0.252 0.000 1.930 412 A HA -0.120 4.201 4.320 0.002 0.000 0.217 412 A C 2.513 180.180 177.584 0.139 0.000 1.175 412 A CA 1.529 53.664 52.037 0.165 0.000 0.627 412 A CB -0.517 18.530 19.000 0.077 0.000 0.815 412 A HN 0.387 nan 8.150 nan 0.000 0.443 413 A N -0.532 122.359 122.820 0.118 0.000 1.930 413 A HA 0.038 4.359 4.320 0.002 0.000 0.217 413 A C 2.201 179.918 177.584 0.222 0.000 1.175 413 A CA 1.678 53.785 52.037 0.117 0.000 0.627 413 A CB -0.816 18.215 19.000 0.051 0.000 0.815 413 A HN 0.356 nan 8.150 nan 0.000 0.443 414 V N -0.320 119.746 119.914 0.254 0.000 2.358 414 V HA -0.263 3.858 4.120 0.002 0.000 0.246 414 V C 2.520 178.713 176.094 0.165 0.000 1.047 414 V CA 2.098 64.560 62.300 0.270 0.000 1.035 414 V CB -1.005 31.059 31.823 0.402 0.000 0.658 414 V HN 0.768 nan 8.190 nan 0.000 0.452 415 H N 0.466 119.535 119.070 -0.002 0.000 2.352 415 H HA -0.160 4.397 4.556 0.002 0.000 0.299 415 H C 2.575 177.810 175.328 -0.156 0.000 1.097 415 H CA 2.079 57.917 56.048 -0.349 0.000 1.311 415 H CB 0.081 29.534 29.762 -0.516 0.000 1.377 415 H HN 0.258 nan 8.280 nan 0.000 0.504 416 R N 0.237 120.786 120.500 0.082 0.000 2.075 416 R HA -0.090 4.251 4.340 0.002 0.000 0.232 416 R C 2.461 178.875 176.300 0.189 0.000 1.126 416 R CA 1.084 57.232 56.100 0.079 0.000 0.963 416 R CB -0.241 30.042 30.300 -0.027 0.000 0.858 416 R HN 0.329 nan 8.270 nan 0.000 0.435 417 A N 1.228 124.218 122.820 0.283 0.000 1.908 417 A HA -0.162 4.159 4.320 0.002 0.000 0.218 417 A C 2.162 179.757 177.584 0.018 0.000 1.181 417 A CA 1.374 53.498 52.037 0.145 0.000 0.627 417 A CB -0.509 18.505 19.000 0.023 0.000 0.818 417 A HN 0.326 nan 8.150 nan 0.000 0.445 418 I N 0.242 120.779 120.570 -0.055 0.000 2.179 418 I HA -0.320 3.851 4.170 0.002 0.000 0.242 418 I C 2.605 178.639 176.117 -0.138 0.000 1.088 418 I CA 2.016 63.245 61.300 -0.119 0.000 1.357 418 I CB -0.344 37.505 38.000 -0.252 0.000 1.051 418 I HN 0.549 nan 8.210 nan 0.000 0.409 419 K N 0.538 120.820 120.400 -0.197 0.000 2.147 419 K HA -0.211 4.110 4.320 0.002 0.000 0.205 419 K C 0.996 177.570 176.600 -0.044 0.000 1.049 419 K CA 1.931 58.133 56.287 -0.141 0.000 0.936 419 K CB -0.219 32.199 32.500 -0.135 0.000 0.722 419 K HN 0.206 nan 8.250 nan 0.000 0.446 420 D N -0.160 120.245 120.400 0.009 0.000 2.340 420 D HA 0.090 4.731 4.640 0.002 0.000 0.220 420 D C 0.907 177.212 176.300 0.009 0.000 1.039 420 D CA 0.983 55.008 54.000 0.041 0.000 0.866 420 D CB 0.887 41.769 40.800 0.138 0.000 0.913 420 D HN 0.606 nan 8.370 nan 0.000 0.523 421 G N -0.293 108.500 108.800 -0.011 0.000 2.211 421 G HA2 -0.217 3.744 3.960 0.002 0.000 0.201 421 G HA3 -0.217 3.744 3.960 0.002 0.000 0.201 421 G C 0.430 175.325 174.900 -0.009 0.000 0.997 421 G CA -0.154 44.940 45.100 -0.011 0.000 0.652 421 G HN 0.236 nan 8.290 nan 0.000 0.500 422 S N 1.112 116.803 115.700 -0.016 0.000 2.531 422 S HA 0.398 4.869 4.470 0.002 0.000 0.279 422 S C -0.026 174.592 174.600 0.028 0.000 1.305 422 S CA 0.039 58.239 58.200 -0.001 0.000 1.058 422 S CB 1.459 64.647 63.200 -0.021 0.000 0.899 422 S HN 0.323 nan 8.310 nan 0.000 0.493 423 D N 3.620 124.050 120.400 0.050 0.000 2.619 423 D HA 0.187 4.828 4.640 0.002 0.000 0.224 423 D C -0.703 175.654 176.300 0.094 0.000 1.133 423 D CA -0.255 53.785 54.000 0.068 0.000 1.017 423 D CB -0.230 40.611 40.800 0.068 0.000 1.077 423 D HN 0.135 nan 8.370 nan 0.000 0.503 424 V N 3.722 123.714 119.914 0.130 0.000 2.383 424 V HA 0.349 4.470 4.120 0.002 0.000 0.275 424 V C 1.382 177.620 176.094 0.240 0.000 1.036 424 V CA -0.488 61.928 62.300 0.193 0.000 0.889 424 V CB 1.538 33.531 31.823 0.283 0.000 0.985 424 V HN 0.294 nan 8.190 nan 0.000 0.459 425 R N 2.642 123.158 120.500 0.026 0.000 2.437 425 R HA 0.475 4.816 4.340 0.002 0.000 0.257 425 R C 0.675 176.515 176.300 -0.767 0.000 0.927 425 R CA 0.284 56.282 56.100 -0.170 0.000 1.078 425 R CB 1.212 31.420 30.300 -0.154 0.000 1.161 425 R HN 0.842 nan 8.270 nan 0.000 0.529 426 G N -0.273 107.966 108.800 -0.934 0.000 2.601 426 G HA2 0.341 4.302 3.960 0.002 0.000 0.291 426 G HA3 0.341 4.302 3.960 0.002 0.000 0.291 426 G C -2.348 172.197 174.900 -0.592 0.000 1.456 426 G CA -0.489 43.845 45.100 -1.276 0.000 0.804 426 G HN 0.043 nan 8.290 nan 0.000 0.499 427 Y N 0.132 120.054 120.300 -0.630 0.000 2.396 427 Y HA 0.728 5.279 4.550 0.002 0.000 0.332 427 Y C -1.946 173.933 175.900 -0.035 0.000 1.034 427 Y CA -1.524 56.554 58.100 -0.037 0.000 1.057 427 Y CB 1.691 40.264 38.460 0.188 0.000 1.220 427 Y HN 0.424 nan 8.280 nan 0.000 0.440 428 F N 7.147 126.926 119.950 -0.286 0.000 2.427 428 F HA 0.405 4.933 4.527 0.002 0.000 0.348 428 F C -0.722 174.913 175.800 -0.275 0.000 1.125 428 F CA -0.939 57.003 58.000 -0.096 0.000 0.989 428 F CB 1.516 40.504 39.000 -0.020 0.000 1.165 428 F HN 0.426 nan 8.300 nan 0.000 0.442 429 L N 5.517 126.779 121.223 0.064 0.000 2.418 429 L HA 0.128 4.469 4.340 0.002 0.000 0.274 429 L C -0.465 176.486 176.870 0.135 0.000 1.135 429 L CA -0.229 54.634 54.840 0.039 0.000 0.870 429 L CB 0.139 42.151 42.059 -0.077 0.000 1.154 429 L HN 0.697 nan 8.230 nan 0.000 0.462 430 W N 6.991 128.330 121.300 0.066 0.000 2.345 430 W HA 0.424 5.085 4.660 0.002 0.000 0.308 430 W C -0.622 175.989 176.519 0.152 0.000 1.273 430 W CA -0.187 57.217 57.345 0.099 0.000 1.243 430 W CB 1.377 30.908 29.460 0.118 0.000 1.260 430 W HN 0.705 nan 8.180 nan 0.000 0.509 431 S N 4.761 120.168 115.700 -0.488 0.000 2.618 431 S HA 0.273 4.744 4.470 0.002 0.000 0.277 431 S C 0.124 174.536 174.600 -0.313 0.000 1.138 431 S CA -0.746 56.931 58.200 -0.872 0.000 0.844 431 S CB 1.539 63.733 63.200 -1.677 0.000 1.127 431 S HN 0.564 nan 8.310 nan 0.000 0.474 432 L N 2.761 123.873 121.223 -0.186 0.000 2.093 432 L HA 0.422 4.763 4.340 0.002 0.000 0.208 432 L C -0.203 176.630 176.870 -0.063 0.000 1.085 432 L CA 1.788 56.606 54.840 -0.035 0.000 0.755 432 L CB -0.366 41.714 42.059 0.035 0.000 0.904 432 L HN 0.650 nan 8.230 nan 0.000 0.435 433 L N -0.556 120.590 121.223 -0.128 0.000 2.354 433 L HA 0.403 4.744 4.340 0.002 0.000 0.264 433 L C -0.623 176.201 176.870 -0.076 0.000 1.008 433 L CA -1.193 53.596 54.840 -0.086 0.000 0.819 433 L CB 1.359 43.380 42.059 -0.063 0.000 1.339 433 L HN -0.208 nan 8.230 nan 0.000 0.420 434 D N 1.694 122.075 120.400 -0.033 0.000 2.414 434 D HA 0.267 4.908 4.640 0.002 0.000 0.242 434 D C -0.512 175.891 176.300 0.172 0.000 1.129 434 D CA 0.488 54.521 54.000 0.056 0.000 0.885 434 D CB 0.796 41.567 40.800 -0.049 0.000 1.198 434 D HN 0.657 nan 8.370 nan 0.000 0.437 435 N N -0.564 118.287 118.700 0.251 0.000 3.364 435 N HA 0.244 4.985 4.740 0.002 0.000 0.294 435 N C -1.368 174.209 175.510 0.113 0.000 1.562 435 N CA -0.909 52.290 53.050 0.248 0.000 0.862 435 N CB 0.196 38.709 38.487 0.043 0.000 1.691 435 N HN 0.194 nan 8.380 nan 0.000 0.572 436 F N 0.902 120.682 119.950 -0.283 0.000 2.490 436 F HA 0.264 4.791 4.527 0.001 0.000 0.357 436 F C 0.607 175.995 175.800 -0.688 0.000 1.166 436 F CA -0.258 57.273 58.000 -0.782 0.000 1.116 436 F CB 0.358 38.852 39.000 -0.844 0.000 1.171 436 F HN 0.618 nan 8.300 nan 0.000 0.576 437 E N 7.378 127.080 120.200 -0.830 0.000 2.261 437 E HA 0.169 4.520 4.350 0.002 0.000 0.308 437 E C -0.183 176.067 176.600 -0.583 0.000 1.400 437 E CA -0.081 55.967 56.400 -0.586 0.000 1.542 437 E CB -0.524 29.113 29.700 -0.105 0.000 1.369 437 E HN 0.727 nan 8.360 nan 0.000 0.493 438 W N 0.992 121.790 121.300 -0.837 0.000 2.259 438 W HA -0.478 4.183 4.660 0.001 0.000 0.293 438 W C 1.847 178.162 176.519 -0.341 0.000 1.351 438 W CA 0.907 57.836 57.345 -0.694 0.000 1.295 438 W CB -1.644 27.574 29.460 -0.404 0.000 0.892 438 W HN 0.341 nan 8.180 nan 0.000 0.520 439 A N -0.639 122.437 122.820 0.425 0.000 2.125 439 A HA -0.156 4.165 4.320 0.002 0.000 0.219 439 A C 1.289 178.861 177.584 -0.020 0.000 1.156 439 A CA 2.203 54.422 52.037 0.304 0.000 0.671 439 A CB -0.991 18.211 19.000 0.336 0.000 0.794 439 A HN 0.621 nan 8.150 nan 0.000 0.459 440 H N -1.217 117.858 119.070 0.009 0.000 2.539 440 H HA 0.354 4.911 4.556 0.002 0.000 0.267 440 H C 1.735 176.941 175.328 -0.202 0.000 0.982 440 H CA 0.383 56.399 56.048 -0.054 0.000 1.146 440 H CB 0.095 29.838 29.762 -0.031 0.000 1.382 440 H HN 0.659 nan 8.280 nan 0.000 0.577 441 G N 0.773 109.331 108.800 -0.403 0.000 2.582 441 G HA2 -0.391 3.570 3.960 0.002 0.000 0.288 441 G HA3 -0.391 3.570 3.960 0.002 0.000 0.288 441 G C 0.292 174.816 174.900 -0.627 0.000 1.247 441 G CA 0.604 45.329 45.100 -0.624 0.000 0.972 441 G HN 0.504 nan 8.290 nan 0.000 0.557 442 Y N 1.744 121.977 120.300 -0.112 0.000 2.470 442 Y HA 0.311 4.861 4.550 0.002 0.000 0.284 442 Y C 2.766 178.680 175.900 0.023 0.000 1.188 442 Y CA 0.931 58.956 58.100 -0.125 0.000 1.269 442 Y CB 0.233 38.471 38.460 -0.369 0.000 1.094 442 Y HN 0.571 nan 8.280 nan 0.000 0.518 443 S N -0.908 114.857 115.700 0.108 0.000 2.515 443 S HA 0.008 4.479 4.470 0.002 0.000 0.231 443 S C 0.486 175.137 174.600 0.084 0.000 0.987 443 S CA 0.286 58.566 58.200 0.132 0.000 0.936 443 S CB 0.001 63.279 63.200 0.130 0.000 0.766 443 S HN -0.009 nan 8.310 nan 0.000 0.528 444 K N 1.804 122.215 120.400 0.017 0.000 2.376 444 K HA 0.443 4.764 4.320 0.002 0.000 0.257 444 K C -0.987 175.601 176.600 -0.020 0.000 0.939 444 K CA -0.225 55.992 56.287 -0.117 0.000 0.809 444 K CB 1.779 34.133 32.500 -0.243 0.000 1.121 444 K HN 0.243 nan 8.250 nan 0.000 0.425 445 R N 2.375 122.810 120.500 -0.109 0.000 2.265 445 R HA 0.362 4.703 4.340 0.002 0.000 0.328 445 R C 0.103 176.329 176.300 -0.122 0.000 0.969 445 R CA -0.274 55.828 56.100 0.002 0.000 0.832 445 R CB 0.537 30.873 30.300 0.061 0.000 1.139 445 R HN 0.507 nan 8.270 nan 0.000 0.457 446 F N 0.268 120.211 119.950 -0.011 0.000 2.682 446 F HA 0.238 4.766 4.527 0.001 0.000 0.308 446 F C 1.607 177.382 175.800 -0.041 0.000 1.093 446 F CA -0.341 57.659 58.000 0.001 0.000 1.244 446 F CB 0.893 39.982 39.000 0.148 0.000 1.052 446 F HN 0.617 nan 8.300 nan 0.000 0.573 447 G N -0.134 108.730 108.800 0.107 0.000 2.569 447 G HA2 0.356 4.317 3.960 0.002 0.000 0.249 447 G HA3 0.356 4.317 3.960 0.002 0.000 0.249 447 G C 0.853 175.785 174.900 0.053 0.000 1.216 447 G CA 0.172 45.289 45.100 0.028 0.000 0.845 447 G HN 0.271 nan 8.290 nan 0.000 0.568 448 A N 0.535 123.380 122.820 0.040 0.000 2.132 448 A HA 0.421 4.742 4.320 0.002 0.000 0.213 448 A C 0.704 178.332 177.584 0.073 0.000 1.154 448 A CA 0.534 52.615 52.037 0.073 0.000 0.753 448 A CB 0.256 19.313 19.000 0.094 0.000 0.826 448 A HN 0.531 nan 8.150 nan 0.000 0.469 449 V N 0.114 120.058 119.914 0.051 0.000 2.444 449 V HA 0.275 4.396 4.120 0.002 0.000 0.294 449 V C -0.578 175.548 176.094 0.053 0.000 1.022 449 V CA -0.861 61.471 62.300 0.052 0.000 0.850 449 V CB 1.100 32.938 31.823 0.025 0.000 0.992 449 V HN 0.418 nan 8.190 nan 0.000 0.426 450 Y N 5.450 125.717 120.300 -0.056 0.000 2.397 450 Y HA 0.533 5.084 4.550 0.002 0.000 0.335 450 Y C -0.264 175.553 175.900 -0.137 0.000 1.213 450 Y CA 0.054 58.100 58.100 -0.089 0.000 1.391 450 Y CB 1.220 39.629 38.460 -0.086 0.000 1.293 450 Y HN 0.381 nan 8.280 nan 0.000 0.557 451 V N 5.985 125.322 119.914 -0.961 0.000 2.483 451 V HA 0.140 4.261 4.120 0.002 0.000 0.297 451 V C -1.092 174.214 176.094 -1.314 0.000 1.027 451 V CA -1.011 60.767 62.300 -0.871 0.000 0.855 451 V CB 1.574 32.993 31.823 -0.674 0.000 0.995 451 V HN 0.774 nan 8.190 nan 0.000 0.424 452 D N 3.181 123.148 120.400 -0.722 0.000 2.393 452 D HA 0.227 4.868 4.640 0.002 0.000 0.232 452 D C 0.756 176.838 176.300 -0.363 0.000 1.192 452 D CA 0.095 53.843 54.000 -0.420 0.000 0.882 452 D CB 0.510 41.291 40.800 -0.033 0.000 1.038 452 D HN 0.504 nan 8.370 nan 0.000 0.499 453 Y N 2.985 123.164 120.300 -0.201 0.000 2.151 453 Y HA -0.125 4.426 4.550 0.002 0.000 0.284 453 Y C -0.450 175.360 175.900 -0.150 0.000 1.166 453 Y CA 0.772 58.741 58.100 -0.218 0.000 1.163 453 Y CB -1.205 37.047 38.460 -0.346 0.000 0.974 453 Y HN 0.500 nan 8.280 nan 0.000 0.511 454 P HA -0.157 nan 4.420 nan 0.000 0.216 454 P C 1.476 178.780 177.300 0.007 0.000 1.150 454 P CA 2.403 65.514 63.100 0.018 0.000 0.837 454 P CB -0.109 31.605 31.700 0.023 0.000 0.786 455 T N -6.602 107.949 114.554 -0.005 0.000 3.015 455 T HA 0.341 4.692 4.350 0.002 0.000 0.250 455 T C 1.614 176.305 174.700 -0.014 0.000 1.057 455 T CA 0.600 62.696 62.100 -0.006 0.000 1.066 455 T CB -0.414 68.452 68.868 -0.004 0.000 0.959 455 T HN 0.194 nan 8.240 nan 0.000 0.488 456 G N 1.405 110.182 108.800 -0.039 0.000 2.179 456 G HA2 -0.254 3.707 3.960 0.002 0.000 0.260 456 G HA3 -0.254 3.707 3.960 0.002 0.000 0.260 456 G C 0.207 175.069 174.900 -0.062 0.000 0.977 456 G CA 0.212 45.285 45.100 -0.044 0.000 0.641 456 G HN 0.732 nan 8.290 nan 0.000 0.533 457 T N 1.178 115.698 114.554 -0.057 0.000 2.908 457 T HA 0.415 4.766 4.350 0.002 0.000 0.301 457 T C 0.760 175.436 174.700 -0.039 0.000 1.019 457 T CA 0.345 62.427 62.100 -0.030 0.000 1.152 457 T CB 0.713 69.584 68.868 0.005 0.000 0.966 457 T HN 0.410 nan 8.240 nan 0.000 0.540 458 R N 2.565 123.055 120.500 -0.016 0.000 2.312 458 R HA 0.590 4.931 4.340 0.002 0.000 0.311 458 R C -0.344 175.983 176.300 0.045 0.000 1.004 458 R CA -0.305 55.793 56.100 -0.002 0.000 0.902 458 R CB 0.743 31.037 30.300 -0.010 0.000 1.073 458 R HN 0.584 nan 8.270 nan 0.000 0.457 459 I N 4.725 125.356 120.570 0.102 0.000 2.503 459 I HA 0.299 4.470 4.170 0.002 0.000 0.282 459 I C -2.317 173.843 176.117 0.072 0.000 1.059 459 I CA -2.389 58.963 61.300 0.086 0.000 1.081 459 I CB 2.275 40.331 38.000 0.094 0.000 1.210 459 I HN 0.296 nan 8.210 nan 0.000 0.450 460 P HA 0.076 nan 4.420 nan 0.000 0.264 460 P C -0.600 176.716 177.300 0.027 0.000 1.193 460 P CA 0.106 63.230 63.100 0.040 0.000 0.763 460 P CB 0.489 32.207 31.700 0.029 0.000 0.810 461 K N 2.153 122.576 120.400 0.039 0.000 2.117 461 K HA 0.398 4.719 4.320 0.002 0.000 0.240 461 K C 1.520 178.131 176.600 0.018 0.000 1.031 461 K CA -0.476 55.813 56.287 0.005 0.000 0.909 461 K CB 0.298 32.806 32.500 0.015 0.000 1.097 461 K HN 0.278 nan 8.250 nan 0.000 0.492 462 A N 0.863 123.676 122.820 -0.012 0.000 1.940 462 A HA -0.207 4.114 4.320 0.002 0.000 0.219 462 A C 2.170 179.808 177.584 0.090 0.000 1.176 462 A CA 2.315 54.360 52.037 0.015 0.000 0.631 462 A CB -0.986 17.993 19.000 -0.035 0.000 0.814 462 A HN 0.786 nan 8.150 nan 0.000 0.446 463 S N 0.143 115.891 115.700 0.081 0.000 2.399 463 S HA 0.022 4.493 4.470 0.002 0.000 0.231 463 S C 2.041 176.822 174.600 0.301 0.000 1.022 463 S CA 1.314 59.621 58.200 0.178 0.000 0.983 463 S CB -0.665 62.597 63.200 0.104 0.000 0.803 463 S HN 0.911 nan 8.310 nan 0.000 0.480 464 A N 3.008 125.948 122.820 0.200 0.000 1.877 464 A HA -0.064 4.257 4.320 0.002 0.000 0.216 464 A C 2.409 180.108 177.584 0.191 0.000 1.186 464 A CA 1.253 53.413 52.037 0.205 0.000 0.620 464 A CB -0.513 18.562 19.000 0.124 0.000 0.822 464 A HN 0.448 nan 8.150 nan 0.000 0.443 465 R N -1.728 118.860 120.500 0.147 0.000 2.092 465 R HA -0.166 4.175 4.340 0.002 0.000 0.231 465 R C 1.937 178.307 176.300 0.117 0.000 1.119 465 R CA 1.369 57.527 56.100 0.096 0.000 0.970 465 R CB -1.006 29.337 30.300 0.072 0.000 0.864 465 R HN 0.833 nan 8.270 nan 0.000 0.440 466 W N 0.769 122.083 121.300 0.023 0.000 2.379 466 W HA -0.210 4.451 4.660 0.002 0.000 0.307 466 W C 2.165 178.702 176.519 0.029 0.000 1.200 466 W CA 1.157 58.512 57.345 0.017 0.000 1.297 466 W CB -0.663 28.818 29.460 0.034 0.000 1.140 466 W HN 0.136 nan 8.180 nan 0.000 0.507 467 Y N 0.889 121.239 120.300 0.084 0.000 2.224 467 Y HA -0.183 4.368 4.550 0.002 0.000 0.289 467 Y C 2.397 178.098 175.900 -0.331 0.000 1.146 467 Y CA 2.046 60.039 58.100 -0.178 0.000 1.182 467 Y CB -0.564 37.995 38.460 0.166 0.000 0.983 467 Y HN 0.014 nan 8.280 nan 0.000 0.524 468 A N 0.237 122.929 122.820 -0.213 0.000 1.908 468 A HA -0.217 4.104 4.320 0.002 0.000 0.218 468 A C 2.081 179.416 177.584 -0.416 0.000 1.181 468 A CA 1.877 53.734 52.037 -0.299 0.000 0.627 468 A CB -0.648 18.275 19.000 -0.128 0.000 0.818 468 A HN 0.462 nan 8.150 nan 0.000 0.445 469 E N -0.142 119.816 120.200 -0.402 0.000 2.110 469 E HA -0.115 4.236 4.350 0.002 0.000 0.193 469 E C 2.201 178.453 176.600 -0.579 0.000 0.988 469 E CA 1.309 57.459 56.400 -0.416 0.000 0.804 469 E CB -0.416 29.062 29.700 -0.370 0.000 0.745 469 E HN 0.365 nan 8.360 nan 0.000 0.458 470 V N 1.054 120.461 119.914 -0.844 0.000 2.358 470 V HA -0.215 3.906 4.120 0.002 0.000 0.246 470 V C 2.407 177.720 176.094 -1.302 0.000 1.047 470 V CA 1.727 63.401 62.300 -1.043 0.000 1.035 470 V CB -0.780 30.277 31.823 -1.277 0.000 0.658 470 V HN 0.258 nan 8.190 nan 0.000 0.452 471 A N -0.026 121.974 122.820 -1.366 0.000 2.067 471 A HA -0.213 4.108 4.320 0.002 0.000 0.219 471 A C 2.401 179.601 177.584 -0.639 0.000 1.158 471 A CA 1.840 53.100 52.037 -1.295 0.000 0.661 471 A CB -0.503 17.974 19.000 -0.872 0.000 0.801 471 A HN 0.530 nan 8.150 nan 0.000 0.452 472 R N -0.306 119.900 120.500 -0.491 0.000 2.062 472 R HA -0.090 4.251 4.340 0.002 0.000 0.226 472 R C 2.103 178.283 176.300 -0.200 0.000 1.125 472 R CA 2.077 58.016 56.100 -0.269 0.000 0.966 472 R CB -0.365 29.797 30.300 -0.230 0.000 0.861 472 R HN 0.553 nan 8.270 nan 0.000 0.433 473 T N -4.192 110.212 114.554 -0.249 0.000 3.015 473 T HA 0.231 4.582 4.350 0.002 0.000 0.250 473 T C 1.330 175.981 174.700 -0.083 0.000 1.057 473 T CA 0.565 62.578 62.100 -0.144 0.000 1.066 473 T CB 0.636 69.415 68.868 -0.147 0.000 0.959 473 T HN 0.440 nan 8.240 nan 0.000 0.488 474 G N 0.949 109.638 108.800 -0.185 0.000 2.162 474 G HA2 -0.215 3.746 3.960 0.002 0.000 0.260 474 G HA3 -0.215 3.746 3.960 0.002 0.000 0.260 474 G C 0.021 174.985 174.900 0.106 0.000 0.976 474 G CA 0.107 45.248 45.100 0.069 0.000 0.655 474 G HN 0.774 nan 8.290 nan 0.000 0.533 475 V N 1.076 120.944 119.914 -0.077 0.000 2.394 475 V HA 0.631 4.752 4.120 0.002 0.000 0.282 475 V C 0.320 176.347 176.094 -0.112 0.000 1.031 475 V CA -0.779 61.500 62.300 -0.035 0.000 0.881 475 V CB 1.640 33.424 31.823 -0.065 0.000 0.982 475 V HN 0.380 nan 8.190 nan 0.000 0.451 476 L N 9.420 130.647 121.223 0.007 0.000 2.255 476 L HA 0.595 4.936 4.340 0.002 0.000 0.289 476 L C -2.452 174.430 176.870 0.020 0.000 1.046 476 L CA -1.769 53.077 54.840 0.009 0.000 0.816 476 L CB 1.279 43.461 42.059 0.204 0.000 1.197 476 L HN 0.394 nan 8.230 nan 0.000 0.427 477 P HA 0.318 nan 4.420 nan 0.000 0.282 477 P C -0.890 176.491 177.300 0.135 0.000 1.274 477 P CA -0.304 62.840 63.100 0.074 0.000 0.770 477 P CB 0.787 32.544 31.700 0.094 0.000 0.867 478 T N 0.620 115.217 114.554 0.072 0.000 2.937 478 T HA 0.919 5.270 4.350 0.002 0.000 0.283 478 T C -0.234 174.495 174.700 0.048 0.000 1.012 478 T CA -0.805 61.334 62.100 0.065 0.000 0.997 478 T CB 1.680 70.562 68.868 0.023 0.000 1.136 478 T HN 0.512 nan 8.240 nan 0.000 0.551 479 A N 0.000 122.841 122.820 0.034 0.000 2.254 479 A HA 0.000 4.321 4.320 0.002 0.000 0.244 479 A CA 0.000 nan 52.037 nan 0.000 0.836 479 A CB 0.000 19.001 19.000 0.002 0.000 0.831 479 A HN 0.000 nan 8.150 nan 0.000 0.486