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 2qzp_1_B DATA FIRST_RESID 21 DATA SEQUENCE AVEKYSLQGV VDGDKLLVVG FSEGSVNAYL YDGGETVKLN REPINSVLDP DATA SEQUENCE HYGVGRVILV RDVSKGAEQH ALFKVNTSRP GEEQRLEAVK PMRILSGVDT DATA SEQUENCE GEAVVFTGAT EDRVALYALD GGGLRELARL PGFGFVSDIR GDLIAGLGFF DATA SEQUENCE GGGRVSLFTS NLSSGGLRVF DSGEGSFSSA SISPGMKVTA GLETAREARL DATA SEQUENCE VTVDPRDGSV EDLELPSKDF SSYRPTAITW LGYLPDGRLA VVARREGRSA DATA SEQUENCE VFIDGERVEA PQGNHGRVVL WRGKLVTSHT SLSTPPRIVS LPSGEPLLEG DATA SEQUENCE GLPEDLRRSI AGSRLVWVES FDGSRVPTYV LESGRAPTPG PTVVLVHGGP DATA SEQUENCE FAEDSDSWDT FAASLAAAGF HVVMPNYRGS TGYGEEWRLK IIGDPcGGEL DATA SEQUENCE EDVSAAARWA RESGLASELY IMGYSYGGYM TLcALTMKPG LFKAGVAGAS DATA SEQUENCE VVDWEEMYEL SDAAFRNFIE QLTGGSREIM RSRSPINHVD RIKEPLALIH DATA SEQUENCE PQNDSRTPLK PLLRLMGELL ARGKTFEAHI IPDAGHAINT MEDAVKILLP DATA SEQUENCE AVFFLATQRE R 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.515 177.584 -0.114 0.000 1.274 21 A CA 0.000 51.981 52.037 -0.093 0.000 0.836 21 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 22 V N 1.592 121.438 119.914 -0.112 0.000 2.740 22 V HA 0.184 4.304 4.120 0.000 0.000 0.303 22 V C 0.567 176.530 176.094 -0.219 0.000 1.054 22 V CA 0.222 62.438 62.300 -0.141 0.000 1.106 22 V CB 0.809 32.587 31.823 -0.074 0.000 0.957 22 V HN 0.509 nan 8.190 nan 0.000 0.486 23 E N 3.041 123.072 120.200 -0.281 0.000 2.222 23 E HA 0.583 4.933 4.350 0.000 0.000 0.272 23 E C -0.900 175.433 176.600 -0.445 0.000 0.982 23 E CA -0.849 55.323 56.400 -0.380 0.000 0.842 23 E CB 1.933 31.361 29.700 -0.454 0.000 1.144 23 E HN 0.575 nan 8.360 nan 0.000 0.397 24 K N 1.721 121.877 120.400 -0.407 0.000 2.464 24 K HA 0.426 4.746 4.320 0.000 0.000 0.253 24 K C -1.374 175.105 176.600 -0.202 0.000 0.933 24 K CA -0.580 55.571 56.287 -0.226 0.000 0.801 24 K CB 1.770 34.347 32.500 0.129 0.000 1.271 24 K HN 0.439 nan 8.250 nan 0.000 0.430 25 Y N -0.004 120.319 120.300 0.039 0.000 2.446 25 Y HA 0.374 4.924 4.550 0.000 0.000 0.345 25 Y C 0.304 176.199 175.900 -0.008 0.000 0.984 25 Y CA -0.906 57.201 58.100 0.012 0.000 1.058 25 Y CB 2.554 40.980 38.460 -0.056 0.000 1.220 25 Y HN 0.545 nan 8.280 nan 0.000 0.455 26 S N 2.138 117.945 115.700 0.177 0.000 2.766 26 S HA 0.772 5.242 4.470 0.000 0.000 0.307 26 S C -1.855 172.731 174.600 -0.023 0.000 1.121 26 S CA -0.503 57.721 58.200 0.040 0.000 0.980 26 S CB 1.454 64.652 63.200 -0.003 0.000 1.159 26 S HN 0.503 nan 8.310 nan 0.000 0.546 27 L N 1.946 123.122 121.223 -0.078 0.000 2.464 27 L HA 0.567 4.907 4.340 0.000 0.000 0.266 27 L C -0.131 176.646 176.870 -0.155 0.000 0.965 27 L CA -0.140 54.622 54.840 -0.130 0.000 0.833 27 L CB 1.945 43.910 42.059 -0.157 0.000 1.296 27 L HN 0.716 nan 8.230 nan 0.000 0.405 28 Q N 3.167 122.874 119.800 -0.154 0.000 2.511 28 Q HA 0.648 4.988 4.340 0.000 0.000 0.236 28 Q C 0.693 176.567 176.000 -0.209 0.000 0.893 28 Q CA 0.660 56.373 55.803 -0.151 0.000 0.947 28 Q CB 0.798 29.472 28.738 -0.107 0.000 1.110 28 Q HN 0.911 nan 8.270 nan 0.000 0.591 29 G N 0.051 108.718 108.800 -0.222 0.000 2.343 29 G HA2 -0.040 3.920 3.960 0.000 0.000 0.465 29 G HA3 -0.040 3.920 3.960 0.000 0.000 0.465 29 G C -1.007 173.749 174.900 -0.239 0.000 1.282 29 G CA -0.593 44.334 45.100 -0.288 0.000 0.996 29 G HN -0.008 nan 8.290 nan 0.000 0.521 30 V N -0.271 119.508 119.914 -0.226 0.000 2.720 30 V HA 0.386 4.506 4.120 0.000 0.000 0.307 30 V C 0.908 176.989 176.094 -0.021 0.000 1.071 30 V CA 0.566 62.853 62.300 -0.022 0.000 1.199 30 V CB 0.549 32.499 31.823 0.212 0.000 0.900 30 V HN 1.073 nan 8.190 nan 0.000 0.494 31 V N 2.582 122.518 119.914 0.038 0.000 3.226 31 V HA 0.415 4.535 4.120 0.000 0.000 0.304 31 V C 0.066 176.202 176.094 0.071 0.000 1.336 31 V CA -0.524 61.801 62.300 0.041 0.000 1.066 31 V CB 1.879 33.704 31.823 0.004 0.000 1.087 31 V HN 0.882 nan 8.190 nan 0.000 0.451 32 D N 0.936 121.373 120.400 0.062 0.000 2.692 32 D HA -0.121 4.519 4.640 0.000 0.000 0.233 32 D C 1.152 177.499 176.300 0.078 0.000 1.172 32 D CA 2.313 56.351 54.000 0.063 0.000 0.636 32 D CB -0.958 39.876 40.800 0.056 0.000 1.028 32 D HN 1.679 nan 8.370 nan 0.000 0.419 33 G N 0.477 109.331 108.800 0.089 0.000 4.754 33 G HA2 -0.369 3.591 3.960 0.000 0.000 0.222 33 G HA3 -0.369 3.591 3.960 0.000 0.000 0.222 33 G C 0.253 175.230 174.900 0.128 0.000 1.377 33 G CA 0.554 45.711 45.100 0.096 0.000 0.942 33 G HN 0.782 nan 8.290 nan 0.000 0.671 34 D N 0.612 121.097 120.400 0.141 0.000 2.527 34 D HA 0.522 5.162 4.640 0.000 0.000 0.242 34 D C -0.853 175.627 176.300 0.301 0.000 1.285 34 D CA -0.318 53.816 54.000 0.223 0.000 0.886 34 D CB 0.017 40.895 40.800 0.130 0.000 1.402 34 D HN 0.393 nan 8.370 nan 0.000 0.528 35 K N 2.901 123.457 120.400 0.260 0.000 2.670 35 K HA 0.216 4.537 4.320 0.000 0.000 0.274 35 K C -0.701 175.884 176.600 -0.026 0.000 1.068 35 K CA -0.683 55.698 56.287 0.156 0.000 0.967 35 K CB 1.703 34.259 32.500 0.094 0.000 1.297 35 K HN 0.269 nan 8.250 nan 0.000 0.477 36 L N 3.399 124.453 121.223 -0.282 0.000 2.584 36 L HA -0.023 4.317 4.340 0.000 0.000 0.272 36 L C 0.160 176.932 176.870 -0.163 0.000 1.195 36 L CA -0.189 54.443 54.840 -0.348 0.000 0.920 36 L CB -0.001 41.691 42.059 -0.611 0.000 1.173 36 L HN 0.364 nan 8.230 nan 0.000 0.489 37 L N 7.335 128.478 121.223 -0.133 0.000 2.302 37 L HA 0.302 4.642 4.340 0.000 0.000 0.285 37 L C -0.169 176.642 176.870 -0.099 0.000 1.090 37 L CA -0.199 54.591 54.840 -0.084 0.000 0.866 37 L CB 0.831 42.844 42.059 -0.077 0.000 1.244 37 L HN 0.309 nan 8.230 nan 0.000 0.435 38 V N 3.737 123.608 119.914 -0.071 0.000 2.409 38 V HA 0.561 4.681 4.120 0.000 0.000 0.291 38 V C 0.133 176.229 176.094 0.004 0.000 1.020 38 V CA -0.892 61.361 62.300 -0.079 0.000 0.848 38 V CB 1.266 32.980 31.823 -0.182 0.000 0.990 38 V HN 0.302 nan 8.190 nan 0.000 0.430 39 V N 4.807 124.719 119.914 -0.003 0.000 2.585 39 V HA 0.479 4.599 4.120 0.000 0.000 0.296 39 V C 1.268 177.467 176.094 0.175 0.000 1.035 39 V CA 1.049 63.355 62.300 0.010 0.000 1.084 39 V CB 1.134 32.931 31.823 -0.042 0.000 0.953 39 V HN 1.175 nan 8.190 nan 0.000 0.483 40 G N 4.087 113.020 108.800 0.222 0.000 2.335 40 G HA2 0.495 4.455 3.960 0.000 0.000 0.314 40 G HA3 0.495 4.455 3.960 0.000 0.000 0.314 40 G C -0.717 174.415 174.900 0.388 0.000 1.129 40 G CA -0.408 45.009 45.100 0.528 0.000 0.912 40 G HN 0.693 nan 8.290 nan 0.000 0.443 41 F N 3.993 124.027 119.950 0.140 0.000 2.344 41 F HA 0.518 5.045 4.527 -0.000 0.000 0.344 41 F C 0.469 176.257 175.800 -0.021 0.000 1.140 41 F CA -0.538 57.478 58.000 0.028 0.000 1.256 41 F CB 0.540 39.535 39.000 -0.008 0.000 1.573 41 F HN 0.595 nan 8.300 nan 0.000 0.547 42 S N 2.050 117.870 115.700 0.201 0.000 3.047 42 S HA 0.176 4.646 4.470 0.000 0.000 0.308 42 S C -0.313 174.335 174.600 0.080 0.000 1.245 42 S CA -0.278 57.942 58.200 0.033 0.000 1.109 42 S CB 1.014 64.217 63.200 0.006 0.000 1.417 42 S HN 0.589 nan 8.310 nan 0.000 0.555 43 E N 0.037 120.268 120.200 0.051 0.000 2.360 43 E HA -0.204 4.146 4.350 0.000 0.000 0.238 43 E C 0.557 177.180 176.600 0.038 0.000 1.186 43 E CA 0.911 57.345 56.400 0.057 0.000 0.719 43 E CB -1.779 27.989 29.700 0.114 0.000 1.236 43 E HN 1.656 nan 8.360 nan 0.000 0.386 44 G N -0.734 108.070 108.800 0.007 0.000 2.233 44 G HA2 -0.395 3.565 3.960 0.000 0.000 0.270 44 G HA3 -0.395 3.565 3.960 0.000 0.000 0.270 44 G C 0.258 175.176 174.900 0.029 0.000 1.011 44 G CA 1.311 46.412 45.100 0.001 0.000 0.762 44 G HN 1.313 nan 8.290 nan 0.000 0.511 45 S N -3.500 112.241 115.700 0.068 0.000 3.483 45 S HA 0.633 5.103 4.470 0.000 0.000 0.296 45 S C -0.924 173.809 174.600 0.222 0.000 1.197 45 S CA 0.043 58.314 58.200 0.118 0.000 1.357 45 S CB 1.777 65.015 63.200 0.063 0.000 1.590 45 S HN 1.350 nan 8.310 nan 0.000 0.444 46 V N 2.306 122.306 119.914 0.142 0.000 2.709 46 V HA 0.742 4.862 4.120 0.000 0.000 0.308 46 V C -1.216 174.869 176.094 -0.015 0.000 1.062 46 V CA -0.578 61.787 62.300 0.108 0.000 0.901 46 V CB 1.608 33.423 31.823 -0.015 0.000 1.003 46 V HN 0.814 nan 8.190 nan 0.000 0.425 47 N N 1.724 120.382 118.700 -0.070 0.000 2.396 47 N HA 0.752 5.492 4.740 0.000 0.000 0.275 47 N C -0.882 174.286 175.510 -0.570 0.000 1.218 47 N CA -0.436 52.423 53.050 -0.319 0.000 0.812 47 N CB 2.693 40.973 38.487 -0.345 0.000 1.592 47 N HN 0.814 nan 8.380 nan 0.000 0.480 48 A N 1.109 123.543 122.820 -0.642 0.000 2.324 48 A HA 0.813 5.133 4.320 0.000 0.000 0.330 48 A C -1.440 175.737 177.584 -0.679 0.000 1.165 48 A CA -0.291 51.442 52.037 -0.507 0.000 0.813 48 A CB 0.540 19.393 19.000 -0.244 0.000 1.197 48 A HN 0.634 nan 8.150 nan 0.000 0.484 49 Y N -0.247 120.037 120.300 -0.026 0.000 2.705 49 Y HA 0.632 5.182 4.550 -0.000 0.000 0.332 49 Y C -0.454 175.431 175.900 -0.026 0.000 1.157 49 Y CA -0.937 57.151 58.100 -0.019 0.000 1.091 49 Y CB 1.903 40.351 38.460 -0.020 0.000 1.301 49 Y HN 0.435 nan 8.280 nan 0.000 0.488 50 L N 1.799 123.138 121.223 0.192 0.000 2.401 50 L HA 0.293 4.633 4.340 0.000 0.000 0.263 50 L C -1.544 175.382 176.870 0.093 0.000 1.004 50 L CA -0.565 54.330 54.840 0.091 0.000 0.881 50 L CB 0.759 42.859 42.059 0.068 0.000 1.219 50 L HN 0.526 nan 8.230 nan 0.000 0.441 51 Y N 2.287 122.517 120.300 -0.117 0.000 2.539 51 Y HA 0.133 4.683 4.550 0.000 0.000 0.352 51 Y C 0.584 176.397 175.900 -0.145 0.000 1.004 51 Y CA -0.253 57.741 58.100 -0.176 0.000 1.278 51 Y CB 0.623 38.898 38.460 -0.309 0.000 1.136 51 Y HN 0.472 nan 8.280 nan 0.000 0.528 52 D N 3.832 123.994 120.400 -0.397 0.000 2.427 52 D HA 0.188 4.828 4.640 0.000 0.000 0.224 52 D C 1.597 177.775 176.300 -0.203 0.000 1.157 52 D CA 0.929 54.889 54.000 -0.067 0.000 0.828 52 D CB -0.046 40.760 40.800 0.011 0.000 0.974 52 D HN 0.951 nan 8.370 nan 0.000 0.498 53 G N -0.115 108.017 108.800 -1.114 0.000 2.322 53 G HA2 -0.340 3.620 3.960 0.000 0.000 0.264 53 G HA3 -0.340 3.620 3.960 0.000 0.000 0.264 53 G C 1.084 175.783 174.900 -0.334 0.000 0.992 53 G CA 0.813 45.475 45.100 -0.730 0.000 0.624 53 G HN 0.539 nan 8.290 nan 0.000 0.543 54 G N -0.044 108.597 108.800 -0.265 0.000 2.598 54 G HA2 0.469 4.429 3.960 0.000 0.000 0.225 54 G HA3 0.469 4.429 3.960 0.000 0.000 0.225 54 G C 0.336 175.216 174.900 -0.033 0.000 1.631 54 G CA 0.781 45.831 45.100 -0.083 0.000 0.821 54 G HN 0.799 nan 8.290 nan 0.000 0.610 55 E N 0.441 120.622 120.200 -0.031 0.000 2.151 55 E HA 0.497 4.847 4.350 0.000 0.000 0.275 55 E C -1.002 175.623 176.600 0.041 0.000 0.936 55 E CA -0.443 55.967 56.400 0.017 0.000 0.777 55 E CB 1.375 31.084 29.700 0.015 0.000 1.108 55 E HN 0.073 nan 8.360 nan 0.000 0.401 56 T N 3.127 117.730 114.554 0.082 0.000 2.889 56 T HA 0.400 4.750 4.350 0.000 0.000 0.291 56 T C -0.992 173.735 174.700 0.045 0.000 0.995 56 T CA -0.422 61.728 62.100 0.083 0.000 1.092 56 T CB 0.750 69.583 68.868 -0.059 0.000 0.954 56 T HN 0.298 nan 8.240 nan 0.000 0.506 57 V N 5.775 125.780 119.914 0.152 0.000 2.638 57 V HA 0.441 4.561 4.120 0.000 0.000 0.306 57 V C -0.058 176.286 176.094 0.415 0.000 1.052 57 V CA -1.080 61.352 62.300 0.220 0.000 0.885 57 V CB 1.993 33.892 31.823 0.126 0.000 0.999 57 V HN 0.811 nan 8.190 nan 0.000 0.424 58 K N 4.249 124.897 120.400 0.413 0.000 2.316 58 K HA 0.388 4.708 4.320 0.000 0.000 0.289 58 K C 0.296 176.915 176.600 0.031 0.000 1.070 58 K CA -0.332 56.057 56.287 0.169 0.000 0.928 58 K CB 0.818 33.419 32.500 0.168 0.000 1.039 58 K HN 0.660 nan 8.250 nan 0.000 0.480 59 L N 3.237 124.429 121.223 -0.052 0.000 2.162 59 L HA -0.103 4.237 4.340 0.000 0.000 0.205 59 L C 1.577 178.415 176.870 -0.054 0.000 1.086 59 L CA 0.174 54.993 54.840 -0.035 0.000 0.778 59 L CB -0.589 41.444 42.059 -0.044 0.000 0.928 59 L HN 0.731 nan 8.230 nan 0.000 0.446 60 N N 0.077 118.715 118.700 -0.104 0.000 2.200 60 N HA 0.048 4.788 4.740 0.000 0.000 0.260 60 N C 0.730 176.188 175.510 -0.086 0.000 1.279 60 N CA 0.078 53.061 53.050 -0.111 0.000 0.929 60 N CB 0.426 38.814 38.487 -0.165 0.000 1.007 60 N HN 0.026 nan 8.380 nan 0.000 0.439 61 R N -1.100 119.335 120.500 -0.109 0.000 5.479 61 R HA 0.223 4.563 4.340 0.000 0.000 0.094 61 R C -0.116 176.127 176.300 -0.094 0.000 0.906 61 R CA -0.308 55.743 56.100 -0.081 0.000 0.776 61 R CB -0.326 29.927 30.300 -0.077 0.000 1.106 61 R HN 0.575 nan 8.270 nan 0.000 0.381 62 E N 2.726 122.847 120.200 -0.131 0.000 2.392 62 E HA 0.230 4.580 4.350 0.000 0.000 0.259 62 E C -2.239 174.275 176.600 -0.143 0.000 1.108 62 E CA -1.677 54.649 56.400 -0.123 0.000 0.916 62 E CB 0.610 30.221 29.700 -0.148 0.000 0.989 62 E HN 0.013 nan 8.360 nan 0.000 0.432 63 P HA -0.034 nan 4.420 nan 0.000 0.269 63 P C -0.491 176.729 177.300 -0.132 0.000 1.217 63 P CA 0.549 63.595 63.100 -0.089 0.000 0.783 63 P CB 0.367 32.047 31.700 -0.034 0.000 0.898 64 I N -1.455 119.040 120.570 -0.124 0.000 3.522 64 I HA 0.525 4.695 4.170 0.000 0.000 0.292 64 I C 0.380 176.436 176.117 -0.101 0.000 1.147 64 I CA -0.756 60.462 61.300 -0.136 0.000 1.032 64 I CB 1.581 39.489 38.000 -0.153 0.000 1.337 64 I HN 0.022 nan 8.210 nan 0.000 0.496 65 N N -0.283 118.346 118.700 -0.118 0.000 2.474 65 N HA 0.177 4.917 4.740 0.000 0.000 0.224 65 N C -0.320 175.093 175.510 -0.161 0.000 1.092 65 N CA 0.739 53.711 53.050 -0.130 0.000 0.844 65 N CB 0.784 39.194 38.487 -0.129 0.000 1.381 65 N HN 0.840 nan 8.380 nan 0.000 0.458 66 S N -0.785 114.826 115.700 -0.147 0.000 2.627 66 S HA 0.520 4.990 4.470 0.000 0.000 0.268 66 S C -1.148 173.394 174.600 -0.097 0.000 1.130 66 S CA -0.921 57.205 58.200 -0.123 0.000 0.819 66 S CB 1.227 64.363 63.200 -0.106 0.000 1.100 66 S HN 0.068 nan 8.310 nan 0.000 0.465 67 V N 0.004 119.874 119.914 -0.073 0.000 2.628 67 V HA 0.706 4.826 4.120 0.000 0.000 0.306 67 V C 0.238 176.318 176.094 -0.023 0.000 1.045 67 V CA -1.166 61.104 62.300 -0.050 0.000 0.905 67 V CB 0.977 32.767 31.823 -0.056 0.000 0.997 67 V HN 1.030 nan 8.190 nan 0.000 0.436 68 L N 1.538 122.759 121.223 -0.003 0.000 2.435 68 L HA 0.215 4.556 4.340 0.000 0.000 0.258 68 L C 0.295 177.187 176.870 0.037 0.000 1.257 68 L CA 0.138 54.997 54.840 0.032 0.000 0.823 68 L CB 0.100 42.186 42.059 0.045 0.000 1.111 68 L HN 0.711 nan 8.230 nan 0.000 0.543 69 D N 2.026 122.472 120.400 0.076 0.000 2.441 69 D HA 0.223 4.863 4.640 0.000 0.000 0.221 69 D C -2.202 174.159 176.300 0.101 0.000 1.156 69 D CA -1.058 52.993 54.000 0.086 0.000 0.896 69 D CB 0.770 41.656 40.800 0.143 0.000 1.028 69 D HN 0.244 nan 8.370 nan 0.000 0.509 70 P HA 0.098 nan 4.420 nan 0.000 0.280 70 P C -0.429 176.962 177.300 0.153 0.000 1.244 70 P CA -0.220 62.916 63.100 0.060 0.000 0.784 70 P CB 0.975 32.679 31.700 0.006 0.000 0.913 71 H N 2.148 121.249 119.070 0.052 0.000 2.819 71 H HA 0.084 4.640 4.556 -0.000 0.000 0.303 71 H C 0.164 175.580 175.328 0.148 0.000 1.058 71 H CA -0.550 55.576 56.048 0.130 0.000 1.471 71 H CB -0.064 29.787 29.762 0.148 0.000 1.480 71 H HN 0.396 nan 8.280 nan 0.000 0.517 72 Y N 1.690 122.086 120.300 0.160 0.000 2.996 72 Y HA -0.250 4.300 4.550 -0.000 0.000 0.367 72 Y C 1.707 177.674 175.900 0.112 0.000 1.251 72 Y CA 1.532 59.702 58.100 0.116 0.000 1.614 72 Y CB -0.415 38.100 38.460 0.093 0.000 1.123 72 Y HN 1.089 nan 8.280 nan 0.000 0.571 73 G N 0.365 109.290 108.800 0.209 0.000 2.241 73 G HA2 -0.289 3.671 3.960 0.000 0.000 0.244 73 G HA3 -0.289 3.671 3.960 0.000 0.000 0.244 73 G C 0.098 175.067 174.900 0.115 0.000 0.998 73 G CA -0.286 44.908 45.100 0.156 0.000 0.621 73 G HN 1.277 nan 8.290 nan 0.000 0.519 74 V N -0.463 119.520 119.914 0.114 0.000 3.005 74 V HA 0.347 4.467 4.120 0.000 0.000 0.287 74 V C 1.621 177.751 176.094 0.060 0.000 1.344 74 V CA 1.327 63.675 62.300 0.081 0.000 1.410 74 V CB 0.556 32.416 31.823 0.062 0.000 0.913 74 V HN 1.362 nan 8.190 nan 0.000 0.525 75 G N 4.057 112.886 108.800 0.049 0.000 3.088 75 G HA2 0.358 4.318 3.960 0.000 0.000 0.217 75 G HA3 0.358 4.318 3.960 0.000 0.000 0.217 75 G C 0.513 175.433 174.900 0.032 0.000 1.159 75 G CA 0.115 45.240 45.100 0.041 0.000 0.760 75 G HN 1.096 nan 8.290 nan 0.000 0.550 76 R N -2.141 118.376 120.500 0.028 0.000 2.906 76 R HA 0.778 5.118 4.340 0.000 0.000 0.258 76 R C -2.117 174.192 176.300 0.015 0.000 1.156 76 R CA -0.743 55.369 56.100 0.021 0.000 0.996 76 R CB 1.448 31.760 30.300 0.020 0.000 1.259 76 R HN -0.126 nan 8.270 nan 0.000 0.462 77 V N 1.404 121.326 119.914 0.012 0.000 2.733 77 V HA 0.431 4.551 4.120 0.000 0.000 0.306 77 V C -0.626 175.475 176.094 0.013 0.000 1.084 77 V CA -0.720 61.582 62.300 0.004 0.000 0.905 77 V CB 1.998 33.816 31.823 -0.008 0.000 1.010 77 V HN 0.556 nan 8.190 nan 0.000 0.424 78 I N 5.491 126.067 120.570 0.010 0.000 2.353 78 I HA 0.471 4.641 4.170 0.000 0.000 0.293 78 I C -0.592 175.538 176.117 0.021 0.000 0.992 78 I CA -0.382 60.930 61.300 0.019 0.000 1.268 78 I CB 1.269 39.274 38.000 0.008 0.000 1.387 78 I HN 0.305 nan 8.210 nan 0.000 0.478 79 L N 6.551 127.818 121.223 0.073 0.000 2.322 79 L HA 0.542 4.882 4.340 0.000 0.000 0.281 79 L C -0.672 176.296 176.870 0.163 0.000 1.014 79 L CA -0.970 53.920 54.840 0.083 0.000 0.815 79 L CB 1.989 44.092 42.059 0.073 0.000 1.247 79 L HN 0.272 nan 8.230 nan 0.000 0.421 80 V N 3.682 123.613 119.914 0.029 0.000 2.311 80 V HA 0.414 4.534 4.120 0.000 0.000 0.275 80 V C -0.009 176.070 176.094 -0.025 0.000 1.022 80 V CA -0.500 61.787 62.300 -0.021 0.000 0.830 80 V CB 1.199 32.881 31.823 -0.236 0.000 1.012 80 V HN 0.682 nan 8.190 nan 0.000 0.452 81 R N 2.983 123.599 120.500 0.193 0.000 2.437 81 R HA 0.365 4.705 4.340 0.000 0.000 0.310 81 R C -0.723 175.750 176.300 0.288 0.000 0.955 81 R CA -0.681 55.474 56.100 0.092 0.000 0.851 81 R CB 1.268 31.421 30.300 -0.245 0.000 1.161 81 R HN 0.696 nan 8.270 nan 0.000 0.446 82 D N 4.522 125.095 120.400 0.289 0.000 2.342 82 D HA -0.004 4.636 4.640 0.000 0.000 0.260 82 D C 0.895 177.295 176.300 0.167 0.000 1.278 82 D CA -0.197 54.007 54.000 0.339 0.000 0.910 82 D CB 1.217 42.182 40.800 0.274 0.000 1.079 82 D HN 0.386 nan 8.370 nan 0.000 0.496 83 V N 1.923 121.933 119.914 0.161 0.000 3.620 83 V HA 0.075 4.195 4.120 0.000 0.000 0.286 83 V C 1.118 177.248 176.094 0.061 0.000 1.288 83 V CA 0.533 62.904 62.300 0.118 0.000 1.178 83 V CB -1.000 30.915 31.823 0.154 0.000 0.986 83 V HN 0.519 nan 8.190 nan 0.000 0.431 84 S N -0.741 114.985 115.700 0.043 0.000 2.581 84 S HA 0.334 4.804 4.470 0.000 0.000 0.245 84 S C 0.372 174.983 174.600 0.019 0.000 1.115 84 S CA -0.650 57.560 58.200 0.015 0.000 1.093 84 S CB -0.507 62.684 63.200 -0.016 0.000 0.853 84 S HN 0.604 nan 8.310 nan 0.000 0.479 85 K N 0.998 121.417 120.400 0.031 0.000 3.278 85 K HA -0.221 4.099 4.320 0.000 0.000 0.270 85 K C 1.137 177.759 176.600 0.037 0.000 0.955 85 K CA 0.446 56.751 56.287 0.029 0.000 0.723 85 K CB -2.085 30.425 32.500 0.017 0.000 1.382 85 K HN 1.094 nan 8.250 nan 0.000 0.461 86 G N -0.878 107.956 108.800 0.057 0.000 2.284 86 G HA2 -0.424 3.536 3.960 0.000 0.000 0.247 86 G HA3 -0.424 3.536 3.960 0.000 0.000 0.247 86 G C 1.011 175.949 174.900 0.064 0.000 1.012 86 G CA 0.449 45.593 45.100 0.074 0.000 0.618 86 G HN 0.830 nan 8.290 nan 0.000 0.521 87 A N 0.112 122.949 122.820 0.027 0.000 2.186 87 A HA 0.333 4.653 4.320 0.000 0.000 0.219 87 A C 1.463 179.033 177.584 -0.023 0.000 1.159 87 A CA 2.461 54.498 52.037 -0.000 0.000 0.680 87 A CB -0.409 18.579 19.000 -0.019 0.000 0.787 87 A HN 1.684 nan 8.150 nan 0.000 0.467 88 E N -2.614 117.567 120.200 -0.031 0.000 3.898 88 E HA -0.134 4.216 4.350 0.000 0.000 0.328 88 E C -0.632 175.664 176.600 -0.507 0.000 0.770 88 E CA 0.847 57.153 56.400 -0.156 0.000 1.267 88 E CB -1.525 28.150 29.700 -0.043 0.000 1.646 88 E HN 0.611 nan 8.360 nan 0.000 0.420 89 Q N 1.501 121.122 119.800 -0.298 0.000 2.423 89 Q HA 0.186 4.526 4.340 0.000 0.000 0.235 89 Q C -0.231 175.635 176.000 -0.223 0.000 1.100 89 Q CA 0.103 55.738 55.803 -0.280 0.000 0.908 89 Q CB 0.404 29.069 28.738 -0.122 0.000 1.312 89 Q HN 0.330 nan 8.270 nan 0.000 0.497 90 H N 0.311 119.381 119.070 -0.000 0.000 2.482 90 H HA 0.650 5.206 4.556 0.000 0.000 0.344 90 H C -0.271 175.008 175.328 -0.081 0.000 1.151 90 H CA -0.576 55.473 56.048 0.003 0.000 1.300 90 H CB 1.095 30.855 29.762 -0.002 0.000 1.494 90 H HN 0.564 nan 8.280 nan 0.000 0.542 91 A N 2.323 125.188 122.820 0.076 0.000 2.330 91 A HA 0.588 4.908 4.320 0.000 0.000 0.329 91 A C -0.452 176.839 177.584 -0.488 0.000 1.135 91 A CA -0.818 51.036 52.037 -0.304 0.000 0.817 91 A CB 0.914 19.637 19.000 -0.461 0.000 1.269 91 A HN 0.594 nan 8.150 nan 0.000 0.469 92 L N 1.366 122.199 121.223 -0.650 0.000 2.296 92 L HA 0.543 4.883 4.340 0.000 0.000 0.286 92 L C -1.469 175.028 176.870 -0.622 0.000 1.023 92 L CA -0.149 54.414 54.840 -0.461 0.000 0.812 92 L CB 0.917 42.758 42.059 -0.363 0.000 1.223 92 L HN 0.607 nan 8.230 nan 0.000 0.421 93 F N 2.059 121.965 119.950 -0.073 0.000 2.507 93 F HA 0.494 5.021 4.527 -0.000 0.000 0.325 93 F C 0.136 175.908 175.800 -0.045 0.000 1.116 93 F CA -1.065 56.904 58.000 -0.051 0.000 0.930 93 F CB 1.518 40.491 39.000 -0.046 0.000 1.146 93 F HN 0.327 nan 8.300 nan 0.000 0.447 94 K N 1.575 122.040 120.400 0.109 0.000 2.123 94 K HA 0.856 5.176 4.320 0.000 0.000 0.259 94 K C -1.702 174.936 176.600 0.063 0.000 0.960 94 K CA -0.708 55.617 56.287 0.064 0.000 0.872 94 K CB 2.025 34.543 32.500 0.030 0.000 1.079 94 K HN 0.487 nan 8.250 nan 0.000 0.440 95 V N 2.794 122.732 119.914 0.039 0.000 2.445 95 V HA 0.129 4.249 4.120 0.000 0.000 0.283 95 V C -0.867 175.239 176.094 0.020 0.000 1.014 95 V CA -1.049 61.266 62.300 0.026 0.000 0.852 95 V CB 0.808 32.636 31.823 0.009 0.000 1.021 95 V HN 0.943 nan 8.190 nan 0.000 0.435 96 N N 3.309 122.022 118.700 0.022 0.000 2.452 96 N HA 0.044 4.784 4.740 0.000 0.000 0.266 96 N C 1.654 177.177 175.510 0.022 0.000 1.175 96 N CA 0.784 53.847 53.050 0.022 0.000 0.945 96 N CB 1.607 40.107 38.487 0.022 0.000 1.063 96 N HN 0.799 nan 8.380 nan 0.000 0.472 97 T N 0.746 115.314 114.554 0.024 0.000 2.718 97 T HA -0.267 4.083 4.350 0.000 0.000 0.266 97 T C 1.604 176.321 174.700 0.028 0.000 1.033 97 T CA 1.970 64.086 62.100 0.027 0.000 1.151 97 T CB -0.682 68.206 68.868 0.032 0.000 0.853 97 T HN 0.403 nan 8.240 nan 0.000 0.466 98 S N 1.862 117.578 115.700 0.026 0.000 2.474 98 S HA 0.032 4.502 4.470 0.000 0.000 0.235 98 S C 0.967 175.581 174.600 0.023 0.000 0.997 98 S CA 0.723 58.938 58.200 0.025 0.000 0.949 98 S CB -0.286 62.928 63.200 0.023 0.000 0.766 98 S HN 0.913 nan 8.310 nan 0.000 0.517 99 R N -0.055 120.459 120.500 0.022 0.000 2.984 99 R HA 0.413 4.753 4.340 0.000 0.000 0.252 99 R C -3.612 172.699 176.300 0.019 0.000 1.842 99 R CA -1.486 54.626 56.100 0.020 0.000 1.389 99 R CB 0.349 30.660 30.300 0.019 0.000 1.454 99 R HN -0.032 nan 8.270 nan 0.000 0.578 100 P HA 0.096 nan 4.420 nan 0.000 0.274 100 P C 0.790 178.097 177.300 0.012 0.000 1.264 100 P CA 0.865 63.974 63.100 0.016 0.000 0.795 100 P CB 0.525 32.240 31.700 0.026 0.000 1.064 101 G N -0.821 107.981 108.800 0.003 0.000 2.200 101 G HA2 -0.298 3.662 3.960 0.000 0.000 0.267 101 G HA3 -0.298 3.662 3.960 0.000 0.000 0.267 101 G C -0.060 174.840 174.900 0.001 0.000 0.993 101 G CA 0.337 45.435 45.100 -0.002 0.000 0.701 101 G HN 0.639 nan 8.290 nan 0.000 0.524 102 E N 0.710 120.913 120.200 0.006 0.000 3.406 102 E HA 0.259 4.609 4.350 0.000 0.000 0.210 102 E C -0.235 176.380 176.600 0.025 0.000 1.167 102 E CA -0.342 56.067 56.400 0.015 0.000 1.132 102 E CB 0.409 30.119 29.700 0.018 0.000 1.309 102 E HN 0.701 nan 8.360 nan 0.000 0.424 103 E N 1.666 121.883 120.200 0.028 0.000 2.338 103 E HA 0.130 4.480 4.350 0.000 0.000 0.272 103 E C -0.162 176.506 176.600 0.113 0.000 1.029 103 E CA -0.191 56.248 56.400 0.065 0.000 0.872 103 E CB 1.022 30.742 29.700 0.034 0.000 1.015 103 E HN 0.171 nan 8.360 nan 0.000 0.417 104 Q N 3.255 123.134 119.800 0.133 0.000 2.394 104 Q HA 0.154 4.494 4.340 0.000 0.000 0.261 104 Q C -0.887 175.162 176.000 0.082 0.000 1.023 104 Q CA -0.672 55.193 55.803 0.103 0.000 0.720 104 Q CB 0.949 29.715 28.738 0.048 0.000 1.241 104 Q HN 0.400 nan 8.270 nan 0.000 0.483 105 R N 3.672 124.226 120.500 0.090 0.000 2.502 105 R HA 0.013 4.353 4.340 0.000 0.000 0.292 105 R C -0.698 175.470 176.300 -0.221 0.000 0.998 105 R CA 0.085 56.024 56.100 -0.269 0.000 1.056 105 R CB 0.311 30.434 30.300 -0.295 0.000 0.939 105 R HN 0.619 nan 8.270 nan 0.000 0.411 106 L N 6.007 127.061 121.223 -0.282 0.000 2.437 106 L HA 0.065 4.405 4.340 0.000 0.000 0.243 106 L C 1.336 178.099 176.870 -0.179 0.000 1.346 106 L CA 0.244 54.981 54.840 -0.171 0.000 1.233 106 L CB 0.302 42.279 42.059 -0.137 0.000 1.436 106 L HN 0.678 nan 8.230 nan 0.000 0.416 107 E N 1.485 121.592 120.200 -0.155 0.000 2.324 107 E HA -0.341 4.009 4.350 0.000 0.000 0.205 107 E C 2.026 178.569 176.600 -0.095 0.000 1.031 107 E CA 1.479 57.804 56.400 -0.125 0.000 0.836 107 E CB 0.044 29.697 29.700 -0.078 0.000 0.742 107 E HN 0.765 nan 8.360 nan 0.000 0.491 108 A N 0.843 123.620 122.820 -0.073 0.000 2.172 108 A HA -0.035 4.285 4.320 0.000 0.000 0.216 108 A C 1.335 178.889 177.584 -0.050 0.000 1.154 108 A CA 0.448 52.459 52.037 -0.043 0.000 0.701 108 A CB 0.216 19.206 19.000 -0.017 0.000 0.789 108 A HN 0.031 nan 8.150 nan 0.000 0.465 109 V N 2.393 122.252 119.914 -0.093 0.000 2.288 109 V HA 0.147 4.267 4.120 0.000 0.000 0.266 109 V C 0.346 176.344 176.094 -0.160 0.000 1.048 109 V CA -0.871 61.355 62.300 -0.123 0.000 0.842 109 V CB 0.247 31.945 31.823 -0.209 0.000 1.064 109 V HN 0.633 nan 8.190 nan 0.000 0.472 110 K N 4.987 125.311 120.400 -0.126 0.000 2.380 110 K HA 0.275 4.595 4.320 0.000 0.000 0.267 110 K C -2.683 173.839 176.600 -0.130 0.000 0.990 110 K CA -1.237 54.984 56.287 -0.111 0.000 0.946 110 K CB 0.065 32.518 32.500 -0.078 0.000 0.937 110 K HN 0.269 nan 8.250 nan 0.000 0.491 111 P HA 0.005 nan 4.420 nan 0.000 0.270 111 P C -0.744 176.497 177.300 -0.098 0.000 1.242 111 P CA 0.174 63.214 63.100 -0.099 0.000 0.768 111 P CB 0.619 32.279 31.700 -0.066 0.000 0.820 112 M N 1.698 121.231 119.600 -0.111 0.000 3.007 112 M HA 0.578 5.058 4.480 0.000 0.000 0.306 112 M C -0.466 175.764 176.300 -0.118 0.000 1.315 112 M CA -1.063 54.187 55.300 -0.083 0.000 0.883 112 M CB 1.674 34.245 32.600 -0.047 0.000 1.944 112 M HN -0.136 nan 8.290 nan 0.000 0.501 113 R N 1.120 121.597 120.500 -0.038 0.000 2.288 113 R HA 0.570 4.910 4.340 0.000 0.000 0.326 113 R C -1.944 174.451 176.300 0.159 0.000 0.959 113 R CA -0.534 55.561 56.100 -0.008 0.000 0.834 113 R CB 0.561 30.888 30.300 0.045 0.000 1.157 113 R HN 0.619 nan 8.270 nan 0.000 0.470 114 I N 5.795 126.579 120.570 0.355 0.000 2.441 114 I HA 0.048 4.218 4.170 0.000 0.000 0.287 114 I C 1.049 177.318 176.117 0.253 0.000 1.049 114 I CA 0.072 61.537 61.300 0.274 0.000 1.381 114 I CB 1.387 39.475 38.000 0.146 0.000 1.409 114 I HN 0.674 nan 8.210 nan 0.000 0.523 115 L N 3.972 125.324 121.223 0.215 0.000 2.425 115 L HA 0.245 4.585 4.340 0.000 0.000 0.215 115 L C 0.782 177.811 176.870 0.265 0.000 1.065 115 L CA 0.330 55.282 54.840 0.188 0.000 0.842 115 L CB -0.226 41.818 42.059 -0.025 0.000 1.033 115 L HN 0.850 nan 8.230 nan 0.000 0.474 116 S N -1.524 114.330 115.700 0.257 0.000 2.761 116 S HA 0.771 5.241 4.470 0.000 0.000 0.290 116 S C -0.545 174.218 174.600 0.271 0.000 1.222 116 S CA -0.182 58.187 58.200 0.280 0.000 0.954 116 S CB 1.619 65.040 63.200 0.369 0.000 1.281 116 S HN 0.234 nan 8.310 nan 0.000 0.527 117 G N -0.750 108.204 108.800 0.257 0.000 2.318 117 G HA2 0.453 4.413 3.960 0.000 0.000 0.302 117 G HA3 0.453 4.413 3.960 0.000 0.000 0.302 117 G C -1.894 173.120 174.900 0.190 0.000 1.633 117 G CA -0.168 45.088 45.100 0.260 0.000 0.965 117 G HN 1.362 nan 8.290 nan 0.000 0.698 118 V N 0.764 120.781 119.914 0.172 0.000 2.628 118 V HA 0.624 4.744 4.120 0.000 0.000 0.306 118 V C -0.510 175.600 176.094 0.027 0.000 1.045 118 V CA -0.528 61.839 62.300 0.112 0.000 0.905 118 V CB 2.012 33.919 31.823 0.140 0.000 0.997 118 V HN 0.890 nan 8.190 nan 0.000 0.436 119 D N 2.530 122.918 120.400 -0.021 0.000 2.467 119 D HA 0.327 4.967 4.640 0.000 0.000 0.220 119 D C 1.044 177.219 176.300 -0.209 0.000 1.103 119 D CA 0.208 54.173 54.000 -0.059 0.000 0.886 119 D CB 1.327 42.121 40.800 -0.011 0.000 1.025 119 D HN 0.723 nan 8.370 nan 0.000 0.514 120 T N 0.408 114.793 114.554 -0.281 0.000 2.824 120 T HA 0.259 4.609 4.350 0.000 0.000 0.238 120 T C 1.415 176.038 174.700 -0.128 0.000 1.067 120 T CA 0.812 62.659 62.100 -0.421 0.000 1.286 120 T CB -0.072 68.618 68.868 -0.296 0.000 0.980 120 T HN 0.360 nan 8.240 nan 0.000 0.414 121 G N 0.123 108.890 108.800 -0.054 0.000 4.225 121 G HA2 0.270 4.230 3.960 0.000 0.000 0.177 121 G HA3 0.270 4.230 3.960 0.000 0.000 0.177 121 G C 0.578 175.482 174.900 0.007 0.000 0.949 121 G CA 0.598 45.698 45.100 -0.001 0.000 0.796 121 G HN 0.717 nan 8.290 nan 0.000 0.504 122 E N -1.385 118.816 120.200 0.001 0.000 2.267 122 E HA 0.429 4.779 4.350 0.000 0.000 0.186 122 E C 0.459 177.067 176.600 0.013 0.000 0.954 122 E CA 0.301 56.708 56.400 0.011 0.000 1.414 122 E CB 0.361 30.069 29.700 0.015 0.000 2.698 122 E HN 0.605 nan 8.360 nan 0.000 0.927 123 A N 1.314 124.138 122.820 0.007 0.000 2.330 123 A HA 0.620 4.940 4.320 0.000 0.000 0.313 123 A C -0.550 177.052 177.584 0.029 0.000 1.124 123 A CA -0.623 51.426 52.037 0.020 0.000 0.774 123 A CB 1.801 20.811 19.000 0.017 0.000 1.198 123 A HN 0.085 nan 8.150 nan 0.000 0.465 124 V N 4.342 124.303 119.914 0.079 0.000 2.204 124 V HA 0.189 4.309 4.120 0.000 0.000 0.264 124 V C 0.013 176.254 176.094 0.244 0.000 1.106 124 V CA -0.353 62.034 62.300 0.145 0.000 0.947 124 V CB 0.404 32.320 31.823 0.155 0.000 1.164 124 V HN 0.636 nan 8.190 nan 0.000 0.461 125 V N 5.120 125.123 119.914 0.148 0.000 2.649 125 V HA 0.615 4.735 4.120 0.000 0.000 0.292 125 V C -0.160 176.047 176.094 0.188 0.000 1.055 125 V CA -0.186 62.152 62.300 0.064 0.000 1.023 125 V CB 0.906 32.750 31.823 0.036 0.000 0.992 125 V HN 0.749 nan 8.190 nan 0.000 0.480 126 F N 0.642 120.683 119.950 0.152 0.000 2.703 126 F HA 0.696 5.223 4.527 -0.000 0.000 0.308 126 F C -0.281 175.654 175.800 0.225 0.000 1.126 126 F CA -0.987 57.114 58.000 0.168 0.000 0.959 126 F CB 1.015 40.091 39.000 0.127 0.000 1.297 126 F HN 0.516 nan 8.300 nan 0.000 0.441 127 T N -0.791 113.981 114.554 0.363 0.000 2.918 127 T HA 0.839 5.189 4.350 0.000 0.000 0.283 127 T C -0.126 174.848 174.700 0.458 0.000 1.001 127 T CA -0.218 62.035 62.100 0.256 0.000 1.041 127 T CB 1.378 70.329 68.868 0.138 0.000 1.028 127 T HN 1.695 nan 8.240 nan 0.000 0.511 128 G N -0.207 108.838 108.800 0.409 0.000 2.715 128 G HA2 0.621 4.581 3.960 0.000 0.000 0.297 128 G HA3 0.621 4.581 3.960 0.000 0.000 0.297 128 G C -0.905 174.142 174.900 0.246 0.000 1.386 128 G CA -0.501 44.839 45.100 0.399 0.000 1.157 128 G HN 1.007 nan 8.290 nan 0.000 0.585 129 A N 1.629 124.503 122.820 0.090 0.000 2.310 129 A HA 0.961 5.281 4.320 0.000 0.000 0.299 129 A C 0.682 178.286 177.584 0.034 0.000 1.147 129 A CA 0.265 52.301 52.037 -0.001 0.000 0.818 129 A CB 1.081 20.003 19.000 -0.130 0.000 1.096 129 A HN 1.934 nan 8.150 nan 0.000 0.495 130 T N -1.873 112.695 114.554 0.022 0.000 2.838 130 T HA 0.402 4.752 4.350 0.000 0.000 0.292 130 T C 0.728 175.425 174.700 -0.004 0.000 1.113 130 T CA -0.191 61.920 62.100 0.019 0.000 1.008 130 T CB 1.296 70.192 68.868 0.047 0.000 1.259 130 T HN 0.561 nan 8.240 nan 0.000 0.520 131 E N 0.697 120.892 120.200 -0.007 0.000 2.187 131 E HA -0.241 4.109 4.350 0.000 0.000 0.199 131 E C 1.085 177.673 176.600 -0.020 0.000 1.004 131 E CA 2.413 58.803 56.400 -0.016 0.000 0.813 131 E CB -0.138 29.554 29.700 -0.014 0.000 0.736 131 E HN 0.835 nan 8.360 nan 0.000 0.468 132 D N -1.092 119.300 120.400 -0.013 0.000 2.454 132 D HA -0.016 4.624 4.640 0.000 0.000 0.214 132 D C 0.774 177.056 176.300 -0.031 0.000 1.088 132 D CA -0.102 53.887 54.000 -0.018 0.000 0.855 132 D CB 0.389 41.183 40.800 -0.010 0.000 1.025 132 D HN 0.068 nan 8.370 nan 0.000 0.502 133 R N 0.277 120.759 120.500 -0.030 0.000 2.728 133 R HA 0.290 4.630 4.340 0.000 0.000 0.259 133 R C -2.149 174.114 176.300 -0.061 0.000 1.057 133 R CA -0.610 55.454 56.100 -0.061 0.000 0.908 133 R CB 1.116 31.372 30.300 -0.072 0.000 1.259 133 R HN -0.155 nan 8.270 nan 0.000 0.472 134 V N 1.962 121.803 119.914 -0.121 0.000 2.607 134 V HA 0.850 4.970 4.120 0.000 0.000 0.289 134 V C 0.497 176.474 176.094 -0.194 0.000 1.053 134 V CA 0.142 62.364 62.300 -0.130 0.000 0.996 134 V CB 0.918 32.636 31.823 -0.176 0.000 0.995 134 V HN 0.969 nan 8.190 nan 0.000 0.476 135 A N 3.629 126.312 122.820 -0.228 0.000 2.568 135 A HA 0.899 5.219 4.320 0.000 0.000 0.291 135 A C -1.519 175.730 177.584 -0.558 0.000 1.159 135 A CA -0.624 51.090 52.037 -0.540 0.000 0.679 135 A CB 1.693 20.093 19.000 -0.999 0.000 1.285 135 A HN 1.032 nan 8.150 nan 0.000 0.428 136 L N 1.105 121.912 121.223 -0.693 0.000 2.417 136 L HA 0.689 5.029 4.340 0.000 0.000 0.259 136 L C -1.812 174.713 176.870 -0.576 0.000 1.023 136 L CA -0.248 54.307 54.840 -0.474 0.000 0.901 136 L CB 0.174 42.023 42.059 -0.351 0.000 1.227 136 L HN 0.578 nan 8.230 nan 0.000 0.454 137 Y N 2.714 122.695 120.300 -0.532 0.000 2.458 137 Y HA 0.857 5.407 4.550 -0.000 0.000 0.322 137 Y C 0.464 176.017 175.900 -0.578 0.000 1.259 137 Y CA -0.918 56.860 58.100 -0.538 0.000 1.302 137 Y CB 1.195 39.291 38.460 -0.607 0.000 1.314 137 Y HN 0.600 nan 8.280 nan 0.000 0.509 138 A N 1.624 124.349 122.820 -0.157 0.000 2.381 138 A HA 0.669 4.989 4.320 0.000 0.000 0.299 138 A C -1.996 175.589 177.584 0.003 0.000 1.049 138 A CA -0.598 51.386 52.037 -0.087 0.000 0.715 138 A CB 1.073 20.044 19.000 -0.049 0.000 1.222 138 A HN 0.648 nan 8.150 nan 0.000 0.428 139 L N 2.803 124.071 121.223 0.075 0.000 2.329 139 L HA 0.866 5.206 4.340 0.000 0.000 0.279 139 L C -0.511 176.397 176.870 0.063 0.000 1.014 139 L CA 0.211 55.112 54.840 0.101 0.000 0.814 139 L CB 1.552 43.722 42.059 0.185 0.000 1.257 139 L HN 0.977 nan 8.230 nan 0.000 0.424 140 D N 1.392 121.817 120.400 0.042 0.000 2.970 140 D HA 0.340 4.980 4.640 0.000 0.000 0.344 140 D C 0.744 177.056 176.300 0.020 0.000 1.365 140 D CA -0.137 53.880 54.000 0.028 0.000 0.910 140 D CB 0.242 41.055 40.800 0.022 0.000 1.445 140 D HN 0.480 nan 8.370 nan 0.000 0.532 141 G N -0.787 108.022 108.800 0.015 0.000 2.505 141 G HA2 -0.063 3.897 3.960 0.000 0.000 0.220 141 G HA3 -0.063 3.897 3.960 0.000 0.000 0.220 141 G C 1.223 176.129 174.900 0.010 0.000 1.145 141 G CA 0.716 45.822 45.100 0.011 0.000 0.761 141 G HN 0.744 nan 8.290 nan 0.000 0.571 142 G N 0.264 109.070 108.800 0.010 0.000 3.375 142 G HA2 0.475 4.435 3.960 0.000 0.000 0.247 142 G HA3 0.475 4.435 3.960 0.000 0.000 0.247 142 G C 1.105 176.012 174.900 0.011 0.000 1.343 142 G CA 0.508 45.613 45.100 0.008 0.000 1.368 142 G HN 1.167 nan 8.290 nan 0.000 0.549 143 G N -0.245 108.562 108.800 0.013 0.000 2.547 143 G HA2 -0.234 3.726 3.960 0.000 0.000 0.271 143 G HA3 -0.234 3.726 3.960 0.000 0.000 0.271 143 G C -0.060 174.857 174.900 0.028 0.000 1.209 143 G CA 0.205 45.314 45.100 0.016 0.000 0.959 143 G HN 1.152 nan 8.290 nan 0.000 0.563 144 L N -0.015 121.228 121.223 0.034 0.000 2.346 144 L HA 0.907 5.247 4.340 0.000 0.000 0.274 144 L C -0.033 176.863 176.870 0.044 0.000 1.007 144 L CA -1.012 53.860 54.840 0.052 0.000 0.818 144 L CB 1.589 43.695 42.059 0.077 0.000 1.284 144 L HN 0.699 nan 8.230 nan 0.000 0.424 145 R N 3.446 123.967 120.500 0.035 0.000 2.473 145 R HA 0.234 4.574 4.340 0.000 0.000 0.303 145 R C -1.100 175.201 176.300 0.002 0.000 1.002 145 R CA -0.571 55.539 56.100 0.016 0.000 0.884 145 R CB 1.671 31.965 30.300 -0.011 0.000 1.173 145 R HN 0.580 nan 8.270 nan 0.000 0.464 146 E N 4.371 124.588 120.200 0.028 0.000 2.271 146 E HA -0.045 4.305 4.350 0.000 0.000 0.255 146 E C 0.697 177.168 176.600 -0.215 0.000 1.177 146 E CA -0.046 56.278 56.400 -0.127 0.000 0.946 146 E CB 0.471 30.099 29.700 -0.121 0.000 1.009 146 E HN 0.565 nan 8.360 nan 0.000 0.451 147 L N 3.184 124.256 121.223 -0.252 0.000 2.046 147 L HA -0.015 4.325 4.340 0.000 0.000 0.208 147 L C 0.999 177.724 176.870 -0.242 0.000 1.077 147 L CA 1.039 55.756 54.840 -0.206 0.000 0.747 147 L CB -0.385 41.567 42.059 -0.179 0.000 0.896 147 L HN 0.523 nan 8.230 nan 0.000 0.432 148 A N -0.767 121.848 122.820 -0.340 0.000 2.586 148 A HA 0.553 4.873 4.320 0.000 0.000 0.291 148 A C -1.064 176.286 177.584 -0.391 0.000 1.062 148 A CA -0.679 51.162 52.037 -0.327 0.000 0.666 148 A CB 1.085 19.901 19.000 -0.307 0.000 1.281 148 A HN 0.089 nan 8.150 nan 0.000 0.421 149 R N 0.665 120.966 120.500 -0.332 0.000 2.312 149 R HA 0.690 5.030 4.340 0.000 0.000 0.311 149 R C -1.553 174.519 176.300 -0.381 0.000 1.004 149 R CA -0.433 55.471 56.100 -0.325 0.000 0.902 149 R CB 0.499 30.651 30.300 -0.247 0.000 1.073 149 R HN 0.608 nan 8.270 nan 0.000 0.457 150 L N 7.530 128.520 121.223 -0.387 0.000 2.272 150 L HA 0.368 4.708 4.340 0.000 0.000 0.289 150 L C -1.626 174.950 176.870 -0.490 0.000 1.032 150 L CA -2.280 52.257 54.840 -0.506 0.000 0.810 150 L CB 1.972 43.870 42.059 -0.267 0.000 1.205 150 L HN 0.595 nan 8.230 nan 0.000 0.422 151 P HA -0.164 nan 4.420 nan 0.000 0.216 151 P C 0.616 177.831 177.300 -0.141 0.000 1.157 151 P CA 1.033 63.883 63.100 -0.416 0.000 0.880 151 P CB 0.315 31.719 31.700 -0.494 0.000 0.791 152 G N -3.146 105.680 108.800 0.043 0.000 3.259 152 G HA2 0.467 4.427 3.960 0.000 0.000 0.178 152 G HA3 0.467 4.427 3.960 0.000 0.000 0.178 152 G C -0.906 174.139 174.900 0.241 0.000 1.129 152 G CA -0.572 44.667 45.100 0.233 0.000 0.816 152 G HN -0.095 nan 8.290 nan 0.000 0.634 153 F N 0.554 120.602 119.950 0.164 0.000 2.535 153 F HA 0.478 5.005 4.527 -0.000 0.000 0.332 153 F C 1.167 177.054 175.800 0.144 0.000 1.208 153 F CA 1.329 59.335 58.000 0.009 0.000 1.330 153 F CB 0.920 39.862 39.000 -0.095 0.000 1.167 153 F HN 0.550 nan 8.300 nan 0.000 0.597 154 G N 0.789 109.562 108.800 -0.046 0.000 2.755 154 G HA2 0.578 4.538 3.960 0.000 0.000 0.297 154 G HA3 0.578 4.538 3.960 0.000 0.000 0.297 154 G C -2.243 172.424 174.900 -0.389 0.000 1.441 154 G CA -0.749 44.409 45.100 0.096 0.000 0.964 154 G HN 0.296 nan 8.290 nan 0.000 0.540 155 F N 0.959 121.151 119.950 0.405 0.000 2.507 155 F HA 0.445 4.972 4.527 -0.000 0.000 0.328 155 F C 0.331 176.249 175.800 0.196 0.000 1.136 155 F CA -1.068 57.090 58.000 0.264 0.000 0.930 155 F CB 2.426 41.523 39.000 0.161 0.000 1.166 155 F HN 0.263 nan 8.300 nan 0.000 0.436 156 V N 3.130 123.274 119.914 0.383 0.000 2.421 156 V HA 0.058 4.178 4.120 0.000 0.000 0.271 156 V C 0.884 177.110 176.094 0.220 0.000 1.031 156 V CA 0.615 63.095 62.300 0.301 0.000 1.032 156 V CB 0.442 32.438 31.823 0.288 0.000 1.009 156 V HN 1.017 nan 8.190 nan 0.000 0.477 157 S N 2.552 118.317 115.700 0.108 0.000 2.412 157 S HA 0.112 4.582 4.470 0.000 0.000 0.223 157 S C 0.466 175.144 174.600 0.129 0.000 1.048 157 S CA 0.225 58.482 58.200 0.094 0.000 0.954 157 S CB 0.377 63.567 63.200 -0.018 0.000 0.840 157 S HN 0.711 nan 8.310 nan 0.000 0.503 158 D N -0.428 120.041 120.400 0.115 0.000 2.609 158 D HA 0.526 5.166 4.640 0.000 0.000 0.239 158 D C -1.830 174.573 176.300 0.172 0.000 1.229 158 D CA -0.566 53.524 54.000 0.151 0.000 0.808 158 D CB 2.157 43.012 40.800 0.092 0.000 1.448 158 D HN 0.125 nan 8.370 nan 0.000 0.433 159 I N 1.308 122.022 120.570 0.241 0.000 2.686 159 I HA 0.529 4.699 4.170 0.000 0.000 0.295 159 I C -0.304 175.936 176.117 0.206 0.000 1.114 159 I CA -0.620 60.831 61.300 0.251 0.000 1.038 159 I CB 1.875 40.070 38.000 0.326 0.000 1.238 159 I HN 0.508 nan 8.210 nan 0.000 0.420 160 R N 2.825 123.406 120.500 0.135 0.000 2.983 160 R HA 0.489 4.829 4.340 0.000 0.000 0.290 160 R C 0.338 176.672 176.300 0.058 0.000 1.327 160 R CA 0.569 56.713 56.100 0.073 0.000 1.062 160 R CB 0.856 31.145 30.300 -0.018 0.000 1.307 160 R HN 1.012 nan 8.270 nan 0.000 0.389 161 G N 3.478 112.322 108.800 0.075 0.000 3.377 161 G HA2 -0.391 3.569 3.960 0.000 0.000 0.304 161 G HA3 -0.391 3.569 3.960 0.000 0.000 0.304 161 G C 0.354 175.285 174.900 0.053 0.000 1.366 161 G CA 0.775 45.906 45.100 0.051 0.000 1.020 161 G HN 0.582 nan 8.290 nan 0.000 0.621 162 D N -0.531 119.895 120.400 0.044 0.000 2.461 162 D HA 0.296 4.936 4.640 0.000 0.000 0.266 162 D C 0.831 177.163 176.300 0.055 0.000 1.085 162 D CA -0.225 53.801 54.000 0.043 0.000 0.887 162 D CB 0.328 41.146 40.800 0.030 0.000 1.309 162 D HN 0.341 nan 8.370 nan 0.000 0.498 163 L N 2.287 123.542 121.223 0.052 0.000 2.600 163 L HA 0.218 4.558 4.340 0.000 0.000 0.278 163 L C -0.648 176.273 176.870 0.086 0.000 1.139 163 L CA 0.554 55.432 54.840 0.062 0.000 0.933 163 L CB -0.460 41.621 42.059 0.037 0.000 1.266 163 L HN 0.011 nan 8.230 nan 0.000 0.471 164 I N 5.826 126.465 120.570 0.114 0.000 2.287 164 I HA 0.368 4.538 4.170 0.000 0.000 0.290 164 I C 0.448 176.677 176.117 0.186 0.000 1.069 164 I CA -0.288 61.102 61.300 0.151 0.000 1.237 164 I CB 0.768 38.862 38.000 0.157 0.000 1.418 164 I HN 0.694 nan 8.210 nan 0.000 0.481 165 A N 5.052 127.939 122.820 0.112 0.000 2.306 165 A HA 0.913 5.233 4.320 0.000 0.000 0.314 165 A C 0.173 177.670 177.584 -0.145 0.000 1.164 165 A CA -0.320 51.720 52.037 0.004 0.000 0.822 165 A CB 1.117 20.090 19.000 -0.045 0.000 1.130 165 A HN 0.795 nan 8.150 nan 0.000 0.496 166 G N 0.239 108.633 108.800 -0.677 0.000 2.660 166 G HA2 0.541 4.501 3.960 0.000 0.000 0.290 166 G HA3 0.541 4.501 3.960 0.000 0.000 0.290 166 G C -1.183 172.838 174.900 -1.464 0.000 1.432 166 G CA -0.781 43.681 45.100 -1.064 0.000 0.807 166 G HN 0.697 nan 8.290 nan 0.000 0.485 167 L N -0.015 120.802 121.223 -0.676 0.000 2.379 167 L HA 0.753 5.093 4.340 0.000 0.000 0.269 167 L C 0.710 177.523 176.870 -0.095 0.000 1.084 167 L CA -0.771 53.864 54.840 -0.343 0.000 0.802 167 L CB 1.872 43.873 42.059 -0.097 0.000 1.175 167 L HN 0.704 nan 8.230 nan 0.000 0.448 168 G N 1.165 109.790 108.800 -0.293 0.000 2.760 168 G HA2 0.513 4.473 3.960 0.000 0.000 0.285 168 G HA3 0.513 4.473 3.960 0.000 0.000 0.285 168 G C -1.314 172.920 174.900 -1.109 0.000 1.496 168 G CA -0.267 44.294 45.100 -0.898 0.000 1.026 168 G HN 0.309 nan 8.290 nan 0.000 0.536 169 F N 3.197 122.822 119.950 -0.541 0.000 2.406 169 F HA 0.385 4.912 4.527 -0.000 0.000 0.358 169 F C 0.782 176.628 175.800 0.075 0.000 1.161 169 F CA -0.393 57.489 58.000 -0.198 0.000 1.185 169 F CB 0.484 39.467 39.000 -0.029 0.000 1.421 169 F HN 0.544 nan 8.300 nan 0.000 0.576 170 F N 0.459 120.551 119.950 0.237 0.000 2.712 170 F HA 0.401 4.928 4.527 -0.000 0.000 0.297 170 F C 1.334 177.224 175.800 0.150 0.000 1.114 170 F CA -0.363 57.742 58.000 0.175 0.000 1.305 170 F CB 0.790 39.858 39.000 0.114 0.000 1.086 170 F HN 0.391 nan 8.300 nan 0.000 0.599 171 G N -1.212 107.766 108.800 0.297 0.000 2.646 171 G HA2 0.402 4.362 3.960 0.000 0.000 0.291 171 G HA3 0.402 4.362 3.960 0.000 0.000 0.291 171 G C 0.464 175.468 174.900 0.174 0.000 1.445 171 G CA -0.119 45.108 45.100 0.213 0.000 0.814 171 G HN 0.180 nan 8.290 nan 0.000 0.495 172 G N -0.863 108.026 108.800 0.149 0.000 2.249 172 G HA2 0.098 4.058 3.960 0.000 0.000 0.273 172 G HA3 0.098 4.058 3.960 0.000 0.000 0.273 172 G C 1.869 176.881 174.900 0.186 0.000 0.995 172 G CA 1.980 47.163 45.100 0.139 0.000 0.671 172 G HN 2.775 nan 8.290 nan 0.000 0.539 173 G N -1.525 107.411 108.800 0.226 0.000 2.176 173 G HA2 -0.272 3.688 3.960 0.000 0.000 0.253 173 G HA3 -0.272 3.688 3.960 0.000 0.000 0.253 173 G C 0.361 175.387 174.900 0.210 0.000 0.979 173 G CA 0.800 46.069 45.100 0.282 0.000 0.641 173 G HN 1.089 nan 8.290 nan 0.000 0.530 174 R N 0.381 120.948 120.500 0.112 0.000 2.298 174 R HA 0.456 4.796 4.340 0.000 0.000 0.310 174 R C 0.340 176.509 176.300 -0.219 0.000 1.068 174 R CA -0.506 55.583 56.100 -0.017 0.000 0.957 174 R CB 1.548 31.864 30.300 0.026 0.000 1.003 174 R HN 0.096 nan 8.270 nan 0.000 0.454 175 V N 2.937 122.565 119.914 -0.476 0.000 2.521 175 V HA 0.047 4.167 4.120 0.000 0.000 0.286 175 V C 0.517 176.435 176.094 -0.294 0.000 1.034 175 V CA 0.220 62.069 62.300 -0.751 0.000 1.045 175 V CB 1.158 32.451 31.823 -0.883 0.000 0.974 175 V HN 0.759 nan 8.190 nan 0.000 0.480 176 S N 3.895 119.403 115.700 -0.320 0.000 2.718 176 S HA 0.758 5.228 4.470 0.000 0.000 0.300 176 S C -0.601 173.907 174.600 -0.154 0.000 1.117 176 S CA -0.541 57.597 58.200 -0.104 0.000 1.002 176 S CB 1.777 64.935 63.200 -0.071 0.000 1.092 176 S HN 0.563 nan 8.310 nan 0.000 0.542 177 L N 2.624 123.779 121.223 -0.114 0.000 2.325 177 L HA 0.796 5.136 4.340 0.000 0.000 0.278 177 L C -1.115 175.854 176.870 0.165 0.000 1.023 177 L CA -0.322 54.371 54.840 -0.245 0.000 0.811 177 L CB 0.760 42.387 42.059 -0.720 0.000 1.249 177 L HN 0.638 nan 8.230 nan 0.000 0.431 178 F N 1.314 121.317 119.950 0.088 0.000 2.664 178 F HA 0.952 5.479 4.527 -0.000 0.000 0.317 178 F C -0.490 175.399 175.800 0.148 0.000 1.108 178 F CA -0.200 57.890 58.000 0.149 0.000 0.957 178 F CB 1.099 40.194 39.000 0.159 0.000 1.365 178 F HN 0.651 nan 8.300 nan 0.000 0.475 179 T N -1.609 113.329 114.554 0.640 0.000 2.591 179 T HA 0.843 5.193 4.350 0.000 0.000 0.274 179 T C -0.710 174.168 174.700 0.297 0.000 0.945 179 T CA -0.314 62.040 62.100 0.424 0.000 1.087 179 T CB 1.151 70.196 68.868 0.295 0.000 1.416 179 T HN 1.400 nan 8.240 nan 0.000 0.514 180 S N -0.976 114.825 115.700 0.169 0.000 2.655 180 S HA 0.435 4.905 4.470 0.000 0.000 0.263 180 S C -2.290 172.343 174.600 0.054 0.000 1.091 180 S CA -0.781 57.462 58.200 0.071 0.000 0.865 180 S CB 0.820 64.049 63.200 0.049 0.000 1.146 180 S HN 0.830 nan 8.310 nan 0.000 0.482 181 N N 1.985 120.696 118.700 0.018 0.000 2.491 181 N HA 0.328 5.068 4.740 0.000 0.000 0.274 181 N C 0.564 176.078 175.510 0.007 0.000 1.023 181 N CA -0.421 52.638 53.050 0.015 0.000 0.902 181 N CB 1.632 40.120 38.487 0.001 0.000 1.267 181 N HN 0.564 nan 8.380 nan 0.000 0.503 182 L N 3.680 124.916 121.223 0.021 0.000 2.089 182 L HA -0.212 4.128 4.340 0.000 0.000 0.213 182 L C 1.838 178.708 176.870 0.001 0.000 1.079 182 L CA 2.171 57.021 54.840 0.015 0.000 0.758 182 L CB -0.327 41.749 42.059 0.029 0.000 0.891 182 L HN 0.641 nan 8.230 nan 0.000 0.433 183 S N -3.054 112.647 115.700 0.001 0.000 2.497 183 S HA 0.060 4.530 4.470 0.000 0.000 0.221 183 S C 1.630 176.222 174.600 -0.013 0.000 1.037 183 S CA 0.332 58.530 58.200 -0.004 0.000 0.920 183 S CB -0.236 62.965 63.200 0.002 0.000 0.800 183 S HN 0.582 nan 8.310 nan 0.000 0.505 184 S N 0.149 115.840 115.700 -0.016 0.000 2.554 184 S HA 0.606 5.076 4.470 0.000 0.000 0.227 184 S C 1.335 175.911 174.600 -0.039 0.000 1.050 184 S CA 0.391 58.577 58.200 -0.024 0.000 0.927 184 S CB -0.071 63.117 63.200 -0.019 0.000 0.859 184 S HN 1.329 nan 8.310 nan 0.000 0.494 185 G N 1.127 109.902 108.800 -0.041 0.000 2.496 185 G HA2 0.323 4.283 3.960 0.000 0.000 0.243 185 G HA3 0.323 4.283 3.960 0.000 0.000 0.243 185 G C 0.522 175.383 174.900 -0.064 0.000 1.176 185 G CA -0.107 44.954 45.100 -0.065 0.000 0.940 185 G HN 2.070 nan 8.290 nan 0.000 0.573 186 G N -2.078 106.667 108.800 -0.092 0.000 2.500 186 G HA2 0.523 4.483 3.960 0.000 0.000 0.209 186 G HA3 0.523 4.483 3.960 0.000 0.000 0.209 186 G C -0.802 174.025 174.900 -0.122 0.000 1.283 186 G CA 0.533 45.578 45.100 -0.091 0.000 0.960 186 G HN 2.555 nan 8.290 nan 0.000 0.528 187 L N -1.106 120.051 121.223 -0.110 0.000 4.439 187 L HA 0.716 5.056 4.340 0.000 0.000 0.261 187 L C -0.849 175.939 176.870 -0.137 0.000 1.052 187 L CA -0.375 54.384 54.840 -0.135 0.000 1.191 187 L CB 1.637 43.566 42.059 -0.216 0.000 1.969 187 L HN 1.303 nan 8.230 nan 0.000 0.580 188 R N 3.369 123.785 120.500 -0.140 0.000 2.437 188 R HA 0.874 5.214 4.340 0.000 0.000 0.310 188 R C -1.625 174.444 176.300 -0.384 0.000 0.955 188 R CA -0.522 55.374 56.100 -0.340 0.000 0.851 188 R CB 1.841 31.866 30.300 -0.458 0.000 1.161 188 R HN 0.340 nan 8.270 nan 0.000 0.446 189 V N 6.501 126.203 119.914 -0.354 0.000 2.266 189 V HA 0.388 4.508 4.120 0.000 0.000 0.271 189 V C -0.665 175.322 176.094 -0.178 0.000 1.032 189 V CA -0.685 61.558 62.300 -0.095 0.000 0.806 189 V CB 0.233 32.148 31.823 0.153 0.000 1.052 189 V HN 0.580 nan 8.190 nan 0.000 0.449 190 F N 2.425 122.413 119.950 0.064 0.000 2.471 190 F HA 0.399 4.926 4.527 -0.000 0.000 0.365 190 F C 0.739 176.579 175.800 0.067 0.000 1.095 190 F CA -0.099 57.920 58.000 0.031 0.000 1.174 190 F CB 0.236 39.204 39.000 -0.054 0.000 1.105 190 F HN 0.404 nan 8.300 nan 0.000 0.535 191 D N 0.732 121.278 120.400 0.243 0.000 2.440 191 D HA 0.579 5.219 4.640 0.000 0.000 0.258 191 D C -0.663 175.776 176.300 0.231 0.000 1.092 191 D CA -0.610 53.513 54.000 0.204 0.000 1.016 191 D CB 1.740 42.622 40.800 0.137 0.000 1.141 191 D HN 0.371 nan 8.370 nan 0.000 0.552 192 S N -1.782 114.021 115.700 0.172 0.000 2.536 192 S HA 0.574 5.044 4.470 0.000 0.000 0.271 192 S C 0.657 175.294 174.600 0.061 0.000 1.134 192 S CA -0.448 57.825 58.200 0.121 0.000 0.897 192 S CB 1.486 64.740 63.200 0.089 0.000 1.094 192 S HN 0.425 nan 8.310 nan 0.000 0.473 193 G N 1.621 110.448 108.800 0.045 0.000 2.453 193 G HA2 0.051 4.011 3.960 0.000 0.000 0.215 193 G HA3 0.051 4.011 3.960 0.000 0.000 0.215 193 G C 0.842 175.749 174.900 0.012 0.000 1.147 193 G CA 0.273 45.392 45.100 0.032 0.000 0.802 193 G HN 0.774 nan 8.290 nan 0.000 0.535 194 E N -0.240 119.955 120.200 -0.009 0.000 2.274 194 E HA 0.258 4.608 4.350 0.000 0.000 0.194 194 E C 1.383 177.954 176.600 -0.050 0.000 0.996 194 E CA 0.397 56.780 56.400 -0.029 0.000 0.840 194 E CB 0.222 29.893 29.700 -0.048 0.000 0.772 194 E HN 0.417 nan 8.360 nan 0.000 0.491 195 G N -0.478 108.279 108.800 -0.072 0.000 2.392 195 G HA2 0.205 4.165 3.960 0.000 0.000 0.260 195 G HA3 0.205 4.165 3.960 0.000 0.000 0.260 195 G C -1.252 173.573 174.900 -0.125 0.000 1.226 195 G CA -0.595 44.452 45.100 -0.089 0.000 0.913 195 G HN 0.021 nan 8.290 nan 0.000 0.483 196 S N -0.817 114.781 115.700 -0.170 0.000 2.548 196 S HA 0.704 5.174 4.470 0.000 0.000 0.286 196 S C -1.397 173.051 174.600 -0.254 0.000 1.098 196 S CA -0.444 57.651 58.200 -0.174 0.000 0.930 196 S CB 1.571 64.683 63.200 -0.148 0.000 1.070 196 S HN 0.456 nan 8.310 nan 0.000 0.480 197 F N 2.335 122.185 119.950 -0.167 0.000 2.445 197 F HA 0.216 4.743 4.527 0.000 0.000 0.359 197 F C 1.846 177.537 175.800 -0.180 0.000 1.101 197 F CA -0.268 57.640 58.000 -0.154 0.000 1.177 197 F CB 0.900 39.806 39.000 -0.157 0.000 1.110 197 F HN 0.713 nan 8.300 nan 0.000 0.522 198 S N 0.803 116.508 115.700 0.010 0.000 2.356 198 S HA 0.059 4.529 4.470 0.000 0.000 0.219 198 S C 0.476 175.059 174.600 -0.027 0.000 1.036 198 S CA 0.501 58.690 58.200 -0.019 0.000 0.965 198 S CB -0.219 62.983 63.200 0.002 0.000 0.864 198 S HN 0.562 nan 8.310 nan 0.000 0.471 199 S N -0.021 115.666 115.700 -0.022 0.000 2.541 199 S HA 0.859 5.329 4.470 0.000 0.000 0.271 199 S C -0.846 173.693 174.600 -0.102 0.000 1.133 199 S CA -0.525 57.625 58.200 -0.083 0.000 0.876 199 S CB 1.702 64.815 63.200 -0.145 0.000 1.105 199 S HN 0.843 nan 8.310 nan 0.000 0.470 200 A N 0.740 123.479 122.820 -0.135 0.000 2.485 200 A HA 0.983 5.303 4.320 0.000 0.000 0.292 200 A C -0.392 177.116 177.584 -0.126 0.000 1.147 200 A CA -0.790 51.167 52.037 -0.133 0.000 0.750 200 A CB 1.701 20.605 19.000 -0.159 0.000 1.331 200 A HN 1.869 nan 8.150 nan 0.000 0.419 201 S N 0.514 116.178 115.700 -0.060 0.000 2.582 201 S HA 0.399 4.870 4.470 0.000 0.000 0.296 201 S C -0.789 173.889 174.600 0.130 0.000 1.118 201 S CA -0.764 57.460 58.200 0.040 0.000 0.947 201 S CB 0.098 63.319 63.200 0.035 0.000 1.131 201 S HN 0.757 nan 8.310 nan 0.000 0.453 202 I N 4.347 124.934 120.570 0.029 0.000 3.017 202 I HA 0.038 4.208 4.170 0.000 0.000 0.310 202 I C 1.157 177.105 176.117 -0.282 0.000 1.220 202 I CA 0.738 61.996 61.300 -0.071 0.000 1.450 202 I CB -0.199 37.750 38.000 -0.084 0.000 1.317 202 I HN 0.788 nan 8.210 nan 0.000 0.570 203 S N 6.210 121.718 115.700 -0.320 0.000 2.489 203 S HA 0.422 4.892 4.470 0.000 0.000 0.291 203 S C -1.774 172.543 174.600 -0.472 0.000 1.151 203 S CA -1.361 56.455 58.200 -0.641 0.000 1.082 203 S CB 1.897 64.981 63.200 -0.193 0.000 1.019 203 S HN 0.369 nan 8.310 nan 0.000 0.492 204 P HA -0.105 nan 4.420 nan 0.000 0.218 204 P C 1.475 178.668 177.300 -0.177 0.000 1.147 204 P CA 1.799 64.720 63.100 -0.298 0.000 0.827 204 P CB -0.228 31.320 31.700 -0.254 0.000 0.778 205 G N -2.574 106.131 108.800 -0.159 0.000 2.494 205 G HA2 -0.020 3.940 3.960 0.000 0.000 0.216 205 G HA3 -0.020 3.940 3.960 0.000 0.000 0.216 205 G C 0.498 175.349 174.900 -0.081 0.000 1.140 205 G CA 0.361 45.405 45.100 -0.094 0.000 0.801 205 G HN 0.056 nan 8.290 nan 0.000 0.536 206 M N -0.932 118.607 119.600 -0.102 0.000 3.006 206 M HA -0.044 4.436 4.480 0.000 0.000 0.242 206 M C -0.217 176.044 176.300 -0.064 0.000 0.475 206 M CA 0.153 55.407 55.300 -0.076 0.000 0.868 206 M CB -1.983 30.588 32.600 -0.047 0.000 3.136 206 M HN 0.389 nan 8.290 nan 0.000 0.554 207 K N -0.618 119.737 120.400 -0.075 0.000 2.312 207 K HA 0.869 5.189 4.320 0.000 0.000 0.236 207 K C -0.248 176.307 176.600 -0.074 0.000 1.079 207 K CA -0.677 55.569 56.287 -0.068 0.000 0.900 207 K CB 1.980 34.452 32.500 -0.048 0.000 1.297 207 K HN 0.012 nan 8.250 nan 0.000 0.498 208 V N 2.290 122.144 119.914 -0.100 0.000 2.266 208 V HA 0.193 4.313 4.120 0.000 0.000 0.266 208 V C -0.761 175.288 176.094 -0.074 0.000 1.036 208 V CA -0.884 61.347 62.300 -0.114 0.000 0.828 208 V CB 0.455 32.140 31.823 -0.230 0.000 1.081 208 V HN 0.791 nan 8.190 nan 0.000 0.449 209 T N 2.508 117.073 114.554 0.019 0.000 2.940 209 T HA 0.522 4.872 4.350 0.000 0.000 0.309 209 T C 0.384 175.063 174.700 -0.034 0.000 1.056 209 T CA 0.437 62.546 62.100 0.014 0.000 1.137 209 T CB 1.064 69.967 68.868 0.058 0.000 0.976 209 T HN 1.180 nan 8.240 nan 0.000 0.547 210 A N 1.872 124.685 122.820 -0.011 0.000 1.715 210 A HA 0.569 4.889 4.320 0.000 0.000 0.273 210 A C 0.342 178.029 177.584 0.170 0.000 1.136 210 A CA -0.490 51.571 52.037 0.040 0.000 0.907 210 A CB -0.292 18.715 19.000 0.013 0.000 1.152 210 A HN 1.256 nan 8.150 nan 0.000 0.375 211 G N 0.540 109.351 108.800 0.017 0.000 2.391 211 G HA2 0.383 4.343 3.960 0.000 0.000 0.231 211 G HA3 0.383 4.343 3.960 0.000 0.000 0.231 211 G C -0.137 174.730 174.900 -0.054 0.000 1.107 211 G CA 0.896 46.003 45.100 0.012 0.000 0.863 211 G HN 1.849 nan 8.290 nan 0.000 0.482 212 L N 1.020 122.134 121.223 -0.181 0.000 2.333 212 L HA 0.542 4.882 4.340 0.000 0.000 0.280 212 L C -0.140 176.583 176.870 -0.245 0.000 1.004 212 L CA -0.631 53.934 54.840 -0.458 0.000 0.820 212 L CB 1.761 43.501 42.059 -0.531 0.000 1.247 212 L HN 0.629 nan 8.230 nan 0.000 0.416 213 E N 3.829 123.883 120.200 -0.242 0.000 2.055 213 E HA 0.340 4.690 4.350 0.000 0.000 0.274 213 E C -0.172 176.365 176.600 -0.105 0.000 0.949 213 E CA -0.443 55.885 56.400 -0.119 0.000 0.775 213 E CB 0.865 30.526 29.700 -0.065 0.000 1.097 213 E HN 0.770 nan 8.360 nan 0.000 0.404 214 T N -0.696 113.811 114.554 -0.077 0.000 2.793 214 T HA 0.319 4.669 4.350 0.000 0.000 0.299 214 T C 1.498 176.196 174.700 -0.003 0.000 1.038 214 T CA -0.113 61.957 62.100 -0.051 0.000 0.948 214 T CB 1.053 69.890 68.868 -0.051 0.000 1.231 214 T HN 0.349 nan 8.240 nan 0.000 0.538 215 A N 0.613 123.441 122.820 0.013 0.000 1.917 215 A HA -0.090 4.230 4.320 0.000 0.000 0.219 215 A C 2.366 179.992 177.584 0.070 0.000 1.182 215 A CA 1.623 53.689 52.037 0.050 0.000 0.633 215 A CB -0.643 18.384 19.000 0.045 0.000 0.819 215 A HN 0.859 nan 8.150 nan 0.000 0.448 216 R N -1.953 118.570 120.500 0.039 0.000 2.521 216 R HA 0.340 4.680 4.340 0.000 0.000 0.289 216 R C -0.067 176.241 176.300 0.012 0.000 0.936 216 R CA 0.052 56.178 56.100 0.044 0.000 1.089 216 R CB 0.831 31.145 30.300 0.024 0.000 1.348 216 R HN 0.470 nan 8.270 nan 0.000 0.536 217 E N -0.412 119.780 120.200 -0.012 0.000 2.460 217 E HA 0.725 5.075 4.350 0.000 0.000 0.277 217 E C -1.565 175.007 176.600 -0.048 0.000 1.010 217 E CA -1.021 55.352 56.400 -0.045 0.000 0.838 217 E CB 2.351 32.008 29.700 -0.071 0.000 1.448 217 E HN 0.062 nan 8.360 nan 0.000 0.462 218 A N 0.805 123.585 122.820 -0.067 0.000 2.539 218 A HA 0.786 5.106 4.320 0.000 0.000 0.296 218 A C -0.738 176.819 177.584 -0.044 0.000 1.073 218 A CA -0.570 51.440 52.037 -0.046 0.000 0.700 218 A CB 1.667 20.664 19.000 -0.005 0.000 1.296 218 A HN 0.685 nan 8.150 nan 0.000 0.405 219 R N 0.389 120.902 120.500 0.022 0.000 3.132 219 R HA 0.869 5.209 4.340 0.000 0.000 0.257 219 R C -1.715 174.708 176.300 0.205 0.000 1.203 219 R CA -0.856 55.324 56.100 0.132 0.000 1.008 219 R CB 0.580 30.899 30.300 0.031 0.000 1.378 219 R HN 0.503 nan 8.270 nan 0.000 0.448 220 L N 1.208 122.542 121.223 0.185 0.000 2.342 220 L HA 0.794 5.134 4.340 0.000 0.000 0.271 220 L C -0.600 176.277 176.870 0.012 0.000 1.008 220 L CA -1.055 53.815 54.840 0.049 0.000 0.818 220 L CB 2.164 44.189 42.059 -0.056 0.000 1.296 220 L HN 0.667 nan 8.230 nan 0.000 0.427 221 V N -1.420 118.500 119.914 0.009 0.000 3.253 221 V HA 0.792 4.912 4.120 0.000 0.000 0.300 221 V C -0.801 175.316 176.094 0.039 0.000 1.398 221 V CA -0.641 61.674 62.300 0.025 0.000 1.067 221 V CB 2.012 33.859 31.823 0.040 0.000 1.102 221 V HN 0.780 nan 8.190 nan 0.000 0.455 222 T N -0.931 113.635 114.554 0.020 0.000 2.907 222 T HA 0.817 5.167 4.350 0.000 0.000 0.292 222 T C -0.862 173.799 174.700 -0.065 0.000 1.043 222 T CA -0.770 61.322 62.100 -0.014 0.000 1.003 222 T CB 1.751 70.612 68.868 -0.013 0.000 1.084 222 T HN 1.180 nan 8.240 nan 0.000 0.483 223 V N 2.043 121.863 119.914 -0.158 0.000 2.304 223 V HA 0.302 4.422 4.120 0.000 0.000 0.278 223 V C -0.138 175.790 176.094 -0.276 0.000 1.018 223 V CA -0.838 61.277 62.300 -0.308 0.000 0.814 223 V CB 1.123 32.583 31.823 -0.606 0.000 1.021 223 V HN 0.975 nan 8.190 nan 0.000 0.440 224 D N 7.104 127.395 120.400 -0.181 0.000 2.363 224 D HA 0.136 4.776 4.640 0.000 0.000 0.263 224 D C -1.409 174.830 176.300 -0.101 0.000 1.258 224 D CA -1.476 52.462 54.000 -0.104 0.000 0.907 224 D CB 2.123 42.894 40.800 -0.049 0.000 1.107 224 D HN 0.226 nan 8.370 nan 0.000 0.495 225 P HA -0.216 nan 4.420 nan 0.000 0.217 225 P C 1.352 178.746 177.300 0.156 0.000 1.158 225 P CA 1.242 64.384 63.100 0.069 0.000 0.887 225 P CB 0.329 32.064 31.700 0.058 0.000 0.792 226 R N 0.046 120.596 120.500 0.083 0.000 2.075 226 R HA -0.106 4.234 4.340 0.000 0.000 0.230 226 R C 1.784 178.145 176.300 0.102 0.000 1.140 226 R CA 1.996 58.146 56.100 0.082 0.000 0.928 226 R CB -1.921 28.405 30.300 0.045 0.000 0.834 226 R HN 0.410 nan 8.270 nan 0.000 0.429 227 D N -1.275 119.172 120.400 0.079 0.000 2.333 227 D HA 0.030 4.670 4.640 0.000 0.000 0.208 227 D C 1.115 177.493 176.300 0.129 0.000 0.984 227 D CA 0.884 54.935 54.000 0.084 0.000 0.873 227 D CB -0.220 40.609 40.800 0.048 0.000 0.935 227 D HN 0.365 nan 8.370 nan 0.000 0.521 228 G N 1.097 109.976 108.800 0.131 0.000 2.168 228 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 228 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 228 G C 0.400 175.327 174.900 0.044 0.000 0.997 228 G CA 0.746 45.928 45.100 0.137 0.000 0.708 228 G HN 0.742 nan 8.290 nan 0.000 0.520 229 S N -1.528 114.182 115.700 0.017 0.000 2.614 229 S HA 0.701 5.171 4.470 0.000 0.000 0.265 229 S C -0.027 174.563 174.600 -0.017 0.000 1.303 229 S CA -0.120 58.091 58.200 0.019 0.000 1.000 229 S CB 2.629 65.840 63.200 0.018 0.000 0.935 229 S HN 1.098 nan 8.310 nan 0.000 0.551 230 V N 2.054 121.973 119.914 0.008 0.000 2.538 230 V HA 0.300 4.420 4.120 0.000 0.000 0.265 230 V C -0.226 175.876 176.094 0.013 0.000 0.977 230 V CA -0.635 61.671 62.300 0.009 0.000 0.852 230 V CB 0.458 32.318 31.823 0.060 0.000 1.058 230 V HN 1.032 nan 8.190 nan 0.000 0.462 231 E N 2.269 122.470 120.200 0.002 0.000 2.283 231 E HA 0.373 4.723 4.350 0.000 0.000 0.278 231 E C -0.628 175.972 176.600 0.001 0.000 1.027 231 E CA -0.806 55.595 56.400 0.002 0.000 0.843 231 E CB 1.184 30.884 29.700 -0.001 0.000 1.062 231 E HN 0.521 nan 8.360 nan 0.000 0.401 232 D N 1.871 122.271 120.400 -0.000 0.000 2.351 232 D HA -0.062 4.578 4.640 0.000 0.000 0.232 232 D C -0.235 176.063 176.300 -0.003 0.000 1.275 232 D CA 0.557 54.556 54.000 -0.001 0.000 0.882 232 D CB 0.569 41.367 40.800 -0.003 0.000 1.221 232 D HN 0.390 nan 8.370 nan 0.000 0.485 233 L N 0.356 121.576 121.223 -0.006 0.000 2.362 233 L HA 0.237 4.577 4.340 0.000 0.000 0.271 233 L C -0.763 176.099 176.870 -0.013 0.000 1.002 233 L CA -0.525 54.305 54.840 -0.017 0.000 0.818 233 L CB 1.418 43.453 42.059 -0.040 0.000 1.298 233 L HN 0.175 nan 8.230 nan 0.000 0.420 234 E N 6.353 126.544 120.200 -0.016 0.000 3.108 234 E HA 0.276 4.626 4.350 0.000 0.000 0.228 234 E C -0.480 176.108 176.600 -0.020 0.000 1.176 234 E CA -0.335 56.058 56.400 -0.012 0.000 0.881 234 E CB 1.355 31.050 29.700 -0.008 0.000 1.354 234 E HN 0.588 nan 8.360 nan 0.000 0.400 235 L N 1.446 122.647 121.223 -0.036 0.000 2.473 235 L HA -0.056 4.284 4.340 0.000 0.000 0.280 235 L C -0.829 176.026 176.870 -0.025 0.000 1.266 235 L CA -0.793 54.020 54.840 -0.045 0.000 0.824 235 L CB -0.193 41.818 42.059 -0.080 0.000 1.091 235 L HN 0.110 nan 8.230 nan 0.000 0.534 236 P HA -0.166 nan 4.420 nan 0.000 0.214 236 P C 0.384 177.681 177.300 -0.004 0.000 1.172 236 P CA 1.210 64.306 63.100 -0.008 0.000 0.925 236 P CB 0.140 31.839 31.700 -0.003 0.000 0.793 237 S N -1.420 114.279 115.700 -0.002 0.000 2.730 237 S HA 0.280 4.750 4.470 0.000 0.000 0.284 237 S C 0.060 174.654 174.600 -0.009 0.000 1.153 237 S CA -0.578 57.624 58.200 0.003 0.000 0.995 237 S CB 0.162 63.373 63.200 0.019 0.000 1.058 237 S HN -0.184 nan 8.310 nan 0.000 0.552 238 K N 2.666 123.062 120.400 -0.006 0.000 2.805 238 K HA 0.319 4.639 4.320 0.000 0.000 0.227 238 K C -0.626 175.959 176.600 -0.026 0.000 1.207 238 K CA -0.197 56.078 56.287 -0.019 0.000 1.153 238 K CB 0.192 32.686 32.500 -0.011 0.000 1.688 238 K HN 0.508 nan 8.250 nan 0.000 0.467 239 D N -0.577 119.784 120.400 -0.065 0.000 2.716 239 D HA -0.018 4.622 4.640 0.000 0.000 0.273 239 D C 1.369 177.464 176.300 -0.342 0.000 1.024 239 D CA 0.182 54.132 54.000 -0.084 0.000 0.944 239 D CB 0.013 40.838 40.800 0.040 0.000 1.186 239 D HN 0.170 nan 8.370 nan 0.000 0.485 240 F N 2.857 122.333 119.950 -0.791 0.000 2.134 240 F HA -0.172 4.355 4.527 0.000 0.000 0.299 240 F C 2.249 177.843 175.800 -0.343 0.000 1.097 240 F CA 1.681 59.103 58.000 -0.962 0.000 1.264 240 F CB -0.133 38.402 39.000 -0.776 0.000 1.001 240 F HN -0.108 nan 8.300 nan 0.000 0.479 241 S N -1.437 114.126 115.700 -0.228 0.000 2.593 241 S HA 0.006 4.476 4.470 0.000 0.000 0.217 241 S C 1.634 176.142 174.600 -0.155 0.000 0.966 241 S CA 0.473 58.553 58.200 -0.200 0.000 0.914 241 S CB -0.669 62.489 63.200 -0.071 0.000 0.776 241 S HN 0.437 nan 8.310 nan 0.000 0.523 242 S N -0.527 115.101 115.700 -0.120 0.000 2.524 242 S HA 0.184 4.654 4.470 0.000 0.000 0.222 242 S C 1.139 175.743 174.600 0.006 0.000 1.040 242 S CA -0.403 57.769 58.200 -0.047 0.000 0.915 242 S CB -0.841 62.355 63.200 -0.007 0.000 0.831 242 S HN 0.479 nan 8.310 nan 0.000 0.492 243 Y N 3.452 123.675 120.300 -0.128 0.000 2.502 243 Y HA 0.381 4.931 4.550 0.000 0.000 0.295 243 Y C 0.474 176.315 175.900 -0.099 0.000 1.193 243 Y CA -0.618 57.469 58.100 -0.022 0.000 1.295 243 Y CB -0.676 37.889 38.460 0.175 0.000 1.059 243 Y HN 0.143 nan 8.280 nan 0.000 0.514 244 R N 1.089 121.487 120.500 -0.169 0.000 2.828 244 R HA -0.188 4.152 4.340 0.000 0.000 0.233 244 R C -2.501 173.634 176.300 -0.275 0.000 0.821 244 R CA 0.320 56.281 56.100 -0.230 0.000 0.563 244 R CB -1.500 28.690 30.300 -0.183 0.000 1.117 244 R HN 0.367 nan 8.270 nan 0.000 0.508 245 P HA -0.069 nan 4.420 nan 0.000 0.265 245 P C 0.389 177.597 177.300 -0.153 0.000 1.193 245 P CA 0.295 63.297 63.100 -0.164 0.000 0.765 245 P CB 1.342 32.894 31.700 -0.246 0.000 0.823 246 T N 0.818 115.310 114.554 -0.103 0.000 3.044 246 T HA 0.317 4.667 4.350 0.000 0.000 0.255 246 T C 0.449 175.120 174.700 -0.047 0.000 1.073 246 T CA 0.631 62.675 62.100 -0.093 0.000 1.125 246 T CB -0.080 68.705 68.868 -0.137 0.000 0.908 246 T HN 0.659 nan 8.240 nan 0.000 0.480 247 A N 0.513 123.328 122.820 -0.008 0.000 2.517 247 A HA 0.647 4.967 4.320 0.000 0.000 0.297 247 A C -1.566 176.085 177.584 0.111 0.000 1.050 247 A CA -0.764 51.294 52.037 0.035 0.000 0.694 247 A CB 0.910 19.918 19.000 0.013 0.000 1.277 247 A HN 0.245 nan 8.150 nan 0.000 0.400 248 I N 2.437 123.085 120.570 0.129 0.000 2.322 248 I HA 0.265 4.435 4.170 0.000 0.000 0.292 248 I C 1.416 177.608 176.117 0.126 0.000 1.060 248 I CA 0.261 61.669 61.300 0.180 0.000 1.309 248 I CB 0.803 38.893 38.000 0.150 0.000 1.415 248 I HN 0.736 nan 8.210 nan 0.000 0.492 249 T N 4.151 118.806 114.554 0.168 0.000 2.590 249 T HA -0.123 4.227 4.350 0.000 0.000 0.257 249 T C -0.106 174.726 174.700 0.220 0.000 1.080 249 T CA 1.321 63.523 62.100 0.170 0.000 1.180 249 T CB -0.076 68.905 68.868 0.188 0.000 0.865 249 T HN 0.590 nan 8.240 nan 0.000 0.403 250 W N 0.920 122.252 121.300 0.054 0.000 2.819 250 W HA 0.620 5.280 4.660 -0.000 0.000 0.337 250 W C -1.985 174.540 176.519 0.010 0.000 1.077 250 W CA -1.350 56.014 57.345 0.031 0.000 1.226 250 W CB 1.246 30.727 29.460 0.035 0.000 1.419 250 W HN 0.091 nan 8.180 nan 0.000 0.502 251 L N 5.341 125.715 121.223 -1.417 0.000 2.493 251 L HA 0.922 5.262 4.340 0.000 0.000 0.265 251 L C -0.740 175.183 176.870 -1.578 0.000 0.954 251 L CA -0.392 53.683 54.840 -1.275 0.000 0.844 251 L CB 2.002 43.695 42.059 -0.609 0.000 1.302 251 L HN 0.656 nan 8.230 nan 0.000 0.405 252 G N 3.041 111.035 108.800 -1.343 0.000 1.984 252 G HA2 0.264 4.224 3.960 0.000 0.000 0.313 252 G HA3 0.264 4.224 3.960 0.000 0.000 0.313 252 G C -1.582 173.243 174.900 -0.126 0.000 1.632 252 G CA -0.657 44.104 45.100 -0.566 0.000 0.963 252 G HN 0.444 nan 8.290 nan 0.000 0.595 253 Y N 1.090 121.324 120.300 -0.109 0.000 2.788 253 Y HA 0.224 4.774 4.550 -0.000 0.000 0.341 253 Y C 1.637 177.546 175.900 0.016 0.000 1.258 253 Y CA 0.419 58.489 58.100 -0.050 0.000 1.503 253 Y CB 0.406 38.819 38.460 -0.077 0.000 1.325 253 Y HN 0.458 nan 8.280 nan 0.000 0.614 254 L N 4.430 125.739 121.223 0.143 0.000 2.488 254 L HA 0.240 4.580 4.340 0.000 0.000 0.249 254 L C -1.336 175.403 176.870 -0.218 0.000 1.151 254 L CA -1.767 53.053 54.840 -0.032 0.000 0.806 254 L CB 0.153 42.227 42.059 0.026 0.000 1.261 254 L HN 0.423 nan 8.230 nan 0.000 0.484 255 P HA -0.144 nan 4.420 nan 0.000 0.212 255 P C 0.615 177.825 177.300 -0.150 0.000 1.180 255 P CA 1.167 64.055 63.100 -0.352 0.000 0.906 255 P CB -0.130 31.352 31.700 -0.364 0.000 0.782 256 D N -1.707 118.634 120.400 -0.097 0.000 2.421 256 D HA -0.089 4.551 4.640 0.000 0.000 0.223 256 D C 1.415 177.704 176.300 -0.019 0.000 0.979 256 D CA 1.307 55.281 54.000 -0.043 0.000 0.959 256 D CB -1.029 39.758 40.800 -0.021 0.000 0.874 256 D HN 0.337 nan 8.370 nan 0.000 0.513 257 G N -0.239 108.555 108.800 -0.009 0.000 2.317 257 G HA2 -0.347 3.613 3.960 0.000 0.000 0.227 257 G HA3 -0.347 3.613 3.960 0.000 0.000 0.227 257 G C 0.513 175.495 174.900 0.136 0.000 1.042 257 G CA -0.075 45.053 45.100 0.046 0.000 0.623 257 G HN 0.447 nan 8.290 nan 0.000 0.509 258 R N -0.019 120.523 120.500 0.070 0.000 2.756 258 R HA 0.401 4.741 4.340 0.000 0.000 0.264 258 R C -0.090 176.231 176.300 0.035 0.000 1.026 258 R CA 0.040 56.169 56.100 0.048 0.000 1.121 258 R CB 0.438 30.755 30.300 0.027 0.000 0.999 258 R HN 0.328 nan 8.270 nan 0.000 0.449 259 L N 1.251 122.423 121.223 -0.085 0.000 2.317 259 L HA 0.454 4.794 4.340 0.000 0.000 0.281 259 L C -0.885 175.893 176.870 -0.153 0.000 1.024 259 L CA -0.127 54.548 54.840 -0.275 0.000 0.810 259 L CB 1.729 43.433 42.059 -0.592 0.000 1.240 259 L HN 0.714 nan 8.230 nan 0.000 0.427 260 A N 5.577 128.335 122.820 -0.104 0.000 2.253 260 A HA 0.692 5.012 4.320 0.000 0.000 0.316 260 A C -1.062 176.490 177.584 -0.054 0.000 1.327 260 A CA -0.478 51.602 52.037 0.071 0.000 0.917 260 A CB 0.359 19.621 19.000 0.436 0.000 1.162 260 A HN 0.504 nan 8.150 nan 0.000 0.535 261 V N 3.099 123.000 119.914 -0.022 0.000 2.495 261 V HA 0.548 4.668 4.120 0.000 0.000 0.298 261 V C -0.360 175.846 176.094 0.187 0.000 1.031 261 V CA -0.571 61.688 62.300 -0.067 0.000 0.871 261 V CB 1.599 33.212 31.823 -0.350 0.000 0.988 261 V HN 0.572 nan 8.190 nan 0.000 0.432 262 V N 3.562 123.609 119.914 0.221 0.000 2.443 262 V HA 0.868 4.988 4.120 0.000 0.000 0.293 262 V C 0.165 176.465 176.094 0.344 0.000 1.021 262 V CA -0.335 62.134 62.300 0.281 0.000 0.848 262 V CB 1.460 33.464 31.823 0.300 0.000 0.998 262 V HN 1.066 nan 8.190 nan 0.000 0.424 263 A N 5.120 128.218 122.820 0.462 0.000 2.384 263 A HA 1.037 5.357 4.320 0.000 0.000 0.312 263 A C -0.334 177.464 177.584 0.357 0.000 1.113 263 A CA -0.972 51.338 52.037 0.456 0.000 0.779 263 A CB 1.768 21.158 19.000 0.649 0.000 1.307 263 A HN 0.997 nan 8.150 nan 0.000 0.436 264 R N 0.916 121.559 120.500 0.238 0.000 2.539 264 R HA 0.507 4.847 4.340 0.000 0.000 0.295 264 R C -0.724 175.594 176.300 0.029 0.000 1.138 264 R CA -0.617 55.587 56.100 0.174 0.000 0.936 264 R CB 1.037 31.392 30.300 0.092 0.000 1.182 264 R HN 0.845 nan 8.270 nan 0.000 0.459 265 R N 2.142 122.650 120.500 0.014 0.000 2.349 265 R HA 0.289 4.629 4.340 0.000 0.000 0.299 265 R C -0.729 175.508 176.300 -0.105 0.000 1.027 265 R CA -0.346 55.668 56.100 -0.143 0.000 0.958 265 R CB 0.861 31.001 30.300 -0.266 0.000 1.047 265 R HN 0.838 nan 8.270 nan 0.000 0.468 266 E N 1.472 121.560 120.200 -0.186 0.000 2.722 266 E HA -0.284 4.066 4.350 0.000 0.000 0.265 266 E C 0.744 177.419 176.600 0.125 0.000 1.081 266 E CA 0.961 57.389 56.400 0.046 0.000 0.781 266 E CB -1.315 28.526 29.700 0.236 0.000 1.372 266 E HN 1.184 nan 8.360 nan 0.000 0.423 267 G N -0.421 108.373 108.800 -0.010 0.000 2.258 267 G HA2 -0.354 3.606 3.960 0.000 0.000 0.233 267 G HA3 -0.354 3.606 3.960 0.000 0.000 0.233 267 G C 0.279 175.277 174.900 0.164 0.000 1.006 267 G CA 0.262 45.492 45.100 0.217 0.000 0.620 267 G HN 0.214 nan 8.290 nan 0.000 0.511 268 R N 1.304 121.896 120.500 0.154 0.000 2.312 268 R HA 0.591 4.931 4.340 0.000 0.000 0.311 268 R C 0.719 177.118 176.300 0.165 0.000 1.004 268 R CA 0.362 56.547 56.100 0.142 0.000 0.902 268 R CB 1.557 31.963 30.300 0.177 0.000 1.073 268 R HN 0.465 nan 8.270 nan 0.000 0.457 269 S N 1.615 117.367 115.700 0.087 0.000 2.694 269 S HA 0.805 5.275 4.470 0.000 0.000 0.278 269 S C -0.363 174.298 174.600 0.103 0.000 1.152 269 S CA -0.536 57.738 58.200 0.123 0.000 1.010 269 S CB 1.767 64.987 63.200 0.032 0.000 1.104 269 S HN 0.696 nan 8.310 nan 0.000 0.547 270 A N 0.083 122.881 122.820 -0.036 0.000 2.589 270 A HA 0.664 4.984 4.320 0.000 0.000 0.296 270 A C -1.129 176.071 177.584 -0.641 0.000 1.062 270 A CA -0.652 51.112 52.037 -0.455 0.000 0.686 270 A CB 1.300 19.512 19.000 -1.313 0.000 1.282 270 A HN 0.881 nan 8.150 nan 0.000 0.404 271 V N 1.263 120.748 119.914 -0.714 0.000 2.612 271 V HA 0.764 4.884 4.120 0.000 0.000 0.301 271 V C -1.059 174.519 176.094 -0.860 0.000 1.046 271 V CA -0.090 61.868 62.300 -0.571 0.000 0.946 271 V CB 1.199 32.827 31.823 -0.326 0.000 1.003 271 V HN 0.700 nan 8.190 nan 0.000 0.459 272 F N 4.275 124.229 119.950 0.008 0.000 2.588 272 F HA 0.522 5.049 4.527 -0.000 0.000 0.318 272 F C -0.483 175.297 175.800 -0.033 0.000 1.155 272 F CA -0.741 57.253 58.000 -0.009 0.000 0.967 272 F CB 1.555 40.568 39.000 0.021 0.000 1.236 272 F HN 0.106 nan 8.300 nan 0.000 0.455 273 I N 3.596 124.259 120.570 0.155 0.000 2.312 273 I HA 0.193 4.363 4.170 0.000 0.000 0.290 273 I C 0.152 176.295 176.117 0.043 0.000 1.008 273 I CA -0.408 60.934 61.300 0.070 0.000 1.226 273 I CB 0.989 39.020 38.000 0.052 0.000 1.371 273 I HN 0.690 nan 8.210 nan 0.000 0.468 274 D N 5.828 126.217 120.400 -0.019 0.000 2.792 274 D HA -0.232 4.408 4.640 0.000 0.000 0.231 274 D C 1.269 177.548 176.300 -0.034 0.000 1.160 274 D CA 1.423 55.393 54.000 -0.050 0.000 0.697 274 D CB -0.630 40.157 40.800 -0.022 0.000 1.070 274 D HN 1.112 nan 8.370 nan 0.000 0.426 275 G N 0.164 108.955 108.800 -0.016 0.000 2.313 275 G HA2 -0.322 3.638 3.960 0.000 0.000 0.215 275 G HA3 -0.322 3.638 3.960 0.000 0.000 0.215 275 G C 0.134 175.084 174.900 0.083 0.000 1.023 275 G CA 0.294 45.376 45.100 -0.030 0.000 0.626 275 G HN 0.538 nan 8.290 nan 0.000 0.503 276 E N 1.205 121.486 120.200 0.136 0.000 2.324 276 E HA 0.443 4.793 4.350 0.000 0.000 0.271 276 E C 0.581 177.365 176.600 0.305 0.000 1.028 276 E CA -0.691 55.816 56.400 0.178 0.000 0.890 276 E CB 0.344 30.101 29.700 0.095 0.000 1.004 276 E HN 0.307 nan 8.360 nan 0.000 0.431 277 R N 4.032 124.758 120.500 0.376 0.000 2.345 277 R HA 0.090 4.430 4.340 0.000 0.000 0.331 277 R C -1.427 174.870 176.300 -0.004 0.000 1.067 277 R CA -0.099 56.114 56.100 0.187 0.000 0.962 277 R CB 0.096 30.505 30.300 0.182 0.000 0.987 277 R HN 0.256 nan 8.270 nan 0.000 0.451 278 V N 5.886 125.750 119.914 -0.084 0.000 2.385 278 V HA 0.104 4.224 4.120 0.000 0.000 0.269 278 V C 0.348 176.350 176.094 -0.155 0.000 1.043 278 V CA -0.536 61.713 62.300 -0.085 0.000 0.906 278 V CB 0.942 32.727 31.823 -0.063 0.000 0.995 278 V HN 0.799 nan 8.190 nan 0.000 0.467 279 E N 3.593 123.726 120.200 -0.112 0.000 2.694 279 E HA 0.235 4.585 4.350 0.000 0.000 0.250 279 E C 0.123 176.610 176.600 -0.188 0.000 0.963 279 E CA 0.302 56.626 56.400 -0.127 0.000 0.949 279 E CB 0.645 30.302 29.700 -0.071 0.000 0.911 279 E HN 0.793 nan 8.360 nan 0.000 0.500 280 A N 5.127 127.790 122.820 -0.261 0.000 2.454 280 A HA 0.596 4.916 4.320 0.000 0.000 0.302 280 A C -2.517 174.967 177.584 -0.166 0.000 1.079 280 A CA -1.718 50.082 52.037 -0.394 0.000 0.731 280 A CB 1.145 19.451 19.000 -1.156 0.000 1.299 280 A HN 0.313 nan 8.150 nan 0.000 0.413 281 P HA 0.033 nan 4.420 nan 0.000 0.266 281 P C -0.526 176.777 177.300 0.004 0.000 1.193 281 P CA 0.096 63.025 63.100 -0.285 0.000 0.770 281 P CB 0.331 31.474 31.700 -0.930 0.000 0.836 282 Q N 1.284 121.113 119.800 0.048 0.000 2.262 282 Q HA 0.366 4.706 4.340 0.000 0.000 0.272 282 Q C 0.646 176.832 176.000 0.310 0.000 1.076 282 Q CA 0.838 56.743 55.803 0.171 0.000 0.905 282 Q CB -0.186 28.628 28.738 0.127 0.000 1.182 282 Q HN 0.774 nan 8.270 nan 0.000 0.390 283 G N 3.651 112.584 108.800 0.221 0.000 2.458 283 G HA2 -0.050 3.910 3.960 0.000 0.000 0.066 283 G HA3 -0.050 3.910 3.960 0.000 0.000 0.066 283 G C -1.240 173.572 174.900 -0.148 0.000 0.986 283 G CA -0.686 44.489 45.100 0.124 0.000 1.131 283 G HN 0.547 nan 8.290 nan 0.000 0.453 284 N N 1.302 119.860 118.700 -0.236 0.000 2.461 284 N HA 0.440 5.180 4.740 0.000 0.000 0.284 284 N C -1.503 173.852 175.510 -0.257 0.000 1.049 284 N CA -0.386 52.483 53.050 -0.302 0.000 0.889 284 N CB 1.256 39.659 38.487 -0.140 0.000 1.365 284 N HN 0.523 nan 8.380 nan 0.000 0.499 285 H N 0.308 119.424 119.070 0.076 0.000 2.463 285 H HA 0.435 4.991 4.556 0.000 0.000 0.332 285 H C 0.798 176.143 175.328 0.029 0.000 1.127 285 H CA -0.594 55.487 56.048 0.055 0.000 1.238 285 H CB 1.587 31.374 29.762 0.041 0.000 1.478 285 H HN 0.567 nan 8.280 nan 0.000 0.499 286 G N 1.527 110.375 108.800 0.080 0.000 2.829 286 G HA2 0.207 4.167 3.960 0.000 0.000 0.173 286 G HA3 0.207 4.167 3.960 0.000 0.000 0.173 286 G C 0.230 175.023 174.900 -0.178 0.000 1.476 286 G CA -0.854 44.225 45.100 -0.034 0.000 1.072 286 G HN 0.662 nan 8.290 nan 0.000 0.577 287 R N -1.465 118.657 120.500 -0.629 0.000 2.801 287 R HA 0.418 4.758 4.340 0.000 0.000 0.273 287 R C -1.083 174.717 176.300 -0.833 0.000 1.080 287 R CA -0.325 54.837 56.100 -1.563 0.000 1.197 287 R CB 0.405 29.451 30.300 -2.090 0.000 1.109 287 R HN 0.165 nan 8.270 nan 0.000 0.535 288 V N 0.799 120.177 119.914 -0.893 0.000 2.604 288 V HA 0.503 4.623 4.120 0.000 0.000 0.305 288 V C -0.559 175.501 176.094 -0.058 0.000 1.043 288 V CA -0.905 61.277 62.300 -0.197 0.000 0.888 288 V CB 1.851 33.746 31.823 0.121 0.000 0.995 288 V HN 0.602 nan 8.190 nan 0.000 0.429 289 V N 4.672 124.610 119.914 0.040 0.000 2.760 289 V HA 0.449 4.569 4.120 0.000 0.000 0.309 289 V C -0.593 175.660 176.094 0.264 0.000 1.077 289 V CA -0.615 61.815 62.300 0.217 0.000 0.910 289 V CB 2.139 33.968 31.823 0.010 0.000 1.008 289 V HN 0.764 nan 8.190 nan 0.000 0.424 290 L N 4.134 125.584 121.223 0.380 0.000 2.331 290 L HA 0.457 4.797 4.340 0.000 0.000 0.278 290 L C -1.105 175.988 176.870 0.372 0.000 1.106 290 L CA 0.436 55.444 54.840 0.281 0.000 0.824 290 L CB 0.587 42.750 42.059 0.174 0.000 1.142 290 L HN 0.825 nan 8.230 nan 0.000 0.443 291 W N 7.242 128.587 121.300 0.076 0.000 2.330 291 W HA 0.450 5.110 4.660 0.000 0.000 0.286 291 W C -0.405 176.131 176.519 0.028 0.000 1.019 291 W CA -0.826 56.551 57.345 0.053 0.000 1.485 291 W CB 0.092 29.575 29.460 0.039 0.000 1.457 291 W HN 0.633 nan 8.180 nan 0.000 0.359 292 R N 2.882 123.333 120.500 -0.082 0.000 3.281 292 R HA -0.110 4.230 4.340 0.000 0.000 0.271 292 R C 0.926 177.184 176.300 -0.070 0.000 1.099 292 R CA 0.789 56.781 56.100 -0.179 0.000 0.732 292 R CB -1.781 28.275 30.300 -0.407 0.000 1.269 292 R HN 1.185 nan 8.270 nan 0.000 0.412 293 G N 0.396 109.195 108.800 -0.003 0.000 2.249 293 G HA2 -0.368 3.592 3.960 0.000 0.000 0.273 293 G HA3 -0.368 3.592 3.960 0.000 0.000 0.273 293 G C -0.131 174.787 174.900 0.031 0.000 1.036 293 G CA 1.075 46.182 45.100 0.011 0.000 0.824 293 G HN 0.422 nan 8.290 nan 0.000 0.504 294 K N -0.676 119.770 120.400 0.076 0.000 2.427 294 K HA 0.522 4.842 4.320 0.000 0.000 0.252 294 K C 0.239 176.916 176.600 0.129 0.000 0.931 294 K CA -1.034 55.312 56.287 0.099 0.000 0.793 294 K CB 1.785 34.362 32.500 0.129 0.000 1.211 294 K HN 0.090 nan 8.250 nan 0.000 0.426 295 L N 3.382 124.657 121.223 0.087 0.000 2.387 295 L HA 0.203 4.543 4.340 0.000 0.000 0.267 295 L C -0.272 176.631 176.870 0.055 0.000 1.197 295 L CA -0.823 54.059 54.840 0.071 0.000 1.070 295 L CB -0.092 41.987 42.059 0.033 0.000 1.349 295 L HN 0.223 nan 8.230 nan 0.000 0.422 296 V N 1.291 121.253 119.914 0.079 0.000 2.415 296 V HA 0.180 4.300 4.120 0.000 0.000 0.267 296 V C 0.674 176.749 176.094 -0.032 0.000 1.042 296 V CA 0.139 62.458 62.300 0.032 0.000 1.000 296 V CB 0.775 32.611 31.823 0.022 0.000 1.015 296 V HN 0.687 nan 8.190 nan 0.000 0.478 297 T N 2.964 117.497 114.554 -0.034 0.000 2.910 297 T HA 0.567 4.917 4.350 0.000 0.000 0.287 297 T C -0.065 174.629 174.700 -0.011 0.000 1.050 297 T CA -0.191 61.882 62.100 -0.045 0.000 1.011 297 T CB 1.847 70.700 68.868 -0.025 0.000 1.195 297 T HN 0.840 nan 8.240 nan 0.000 0.540 298 S N 1.879 117.585 115.700 0.010 0.000 2.532 298 S HA 0.412 4.882 4.470 0.000 0.000 0.318 298 S C -0.537 174.138 174.600 0.125 0.000 1.083 298 S CA -0.639 57.584 58.200 0.039 0.000 1.131 298 S CB 0.163 63.356 63.200 -0.011 0.000 0.973 298 S HN 0.835 nan 8.310 nan 0.000 0.468 299 H N 2.326 121.437 119.070 0.069 0.000 2.544 299 H HA 0.755 5.311 4.556 0.000 0.000 0.365 299 H C 0.247 175.607 175.328 0.053 0.000 1.268 299 H CA 0.922 57.035 56.048 0.109 0.000 1.400 299 H CB 1.416 31.242 29.762 0.107 0.000 1.538 299 H HN 0.854 nan 8.280 nan 0.000 0.597 300 T N 1.058 115.036 114.554 -0.960 0.000 2.717 300 T HA 0.466 4.816 4.350 0.000 0.000 0.315 300 T C -1.608 172.794 174.700 -0.496 0.000 1.746 300 T CA -0.040 61.713 62.100 -0.578 0.000 1.001 300 T CB -0.092 68.674 68.868 -0.168 0.000 1.673 300 T HN 0.910 nan 8.240 nan 0.000 0.498 301 S N 0.494 116.109 115.700 -0.140 0.000 2.735 301 S HA 0.285 4.755 4.470 0.000 0.000 0.279 301 S C 0.650 175.365 174.600 0.192 0.000 0.989 301 S CA -0.089 58.109 58.200 -0.003 0.000 0.883 301 S CB 0.064 63.266 63.200 0.004 0.000 1.117 301 S HN 0.850 nan 8.310 nan 0.000 0.458 302 L N 2.039 123.336 121.223 0.122 0.000 2.123 302 L HA -0.145 4.195 4.340 0.000 0.000 0.217 302 L C 1.812 178.897 176.870 0.358 0.000 1.081 302 L CA 2.068 56.989 54.840 0.135 0.000 0.772 302 L CB -0.477 41.601 42.059 0.032 0.000 0.890 302 L HN 0.797 nan 8.230 nan 0.000 0.437 303 S N -1.554 114.329 115.700 0.306 0.000 2.506 303 S HA 0.261 4.731 4.470 0.000 0.000 0.245 303 S C 0.013 174.722 174.600 0.183 0.000 1.088 303 S CA -0.138 58.242 58.200 0.300 0.000 1.099 303 S CB -0.073 63.236 63.200 0.181 0.000 0.805 303 S HN 0.366 nan 8.310 nan 0.000 0.461 304 T N -1.452 113.194 114.554 0.154 0.000 4.063 304 T HA 0.330 4.680 4.350 0.000 0.000 0.430 304 T C -3.638 170.743 174.700 -0.531 0.000 1.293 304 T CA -0.992 60.958 62.100 -0.251 0.000 1.109 304 T CB 0.782 69.596 68.868 -0.090 0.000 1.320 304 T HN -0.073 nan 8.240 nan 0.000 0.456 305 P HA 0.320 nan 4.420 nan 0.000 0.268 305 P C -2.543 174.492 177.300 -0.441 0.000 1.205 305 P CA -1.091 61.317 63.100 -1.152 0.000 0.771 305 P CB -0.308 30.747 31.700 -1.075 0.000 0.858 306 P HA -0.057 nan 4.420 nan 0.000 0.250 306 P C -0.135 177.151 177.300 -0.023 0.000 1.161 306 P CA 0.749 63.801 63.100 -0.081 0.000 0.863 306 P CB -0.036 31.674 31.700 0.016 0.000 0.827 307 R N 3.440 123.943 120.500 0.006 0.000 2.797 307 R HA 0.759 5.099 4.340 0.000 0.000 0.251 307 R C -0.577 175.779 176.300 0.093 0.000 1.107 307 R CA -1.065 55.094 56.100 0.098 0.000 1.084 307 R CB 1.196 31.539 30.300 0.071 0.000 1.205 307 R HN 0.169 nan 8.270 nan 0.000 0.515 308 I N 1.421 122.019 120.570 0.047 0.000 2.474 308 I HA 0.427 4.597 4.170 0.000 0.000 0.294 308 I C -0.264 175.849 176.117 -0.007 0.000 1.005 308 I CA -1.049 60.242 61.300 -0.015 0.000 1.113 308 I CB 2.084 40.005 38.000 -0.131 0.000 1.289 308 I HN 0.608 nan 8.210 nan 0.000 0.436 309 V N 1.540 121.462 119.914 0.014 0.000 3.167 309 V HA 0.646 4.766 4.120 0.000 0.000 0.310 309 V C -0.679 175.432 176.094 0.029 0.000 1.207 309 V CA -0.672 61.642 62.300 0.024 0.000 1.059 309 V CB 1.954 33.790 31.823 0.022 0.000 1.079 309 V HN 0.641 nan 8.190 nan 0.000 0.446 310 S N 0.866 116.594 115.700 0.046 0.000 2.449 310 S HA 0.745 5.215 4.470 0.000 0.000 0.310 310 S C -0.487 174.123 174.600 0.018 0.000 1.096 310 S CA -0.667 57.571 58.200 0.064 0.000 1.095 310 S CB 0.299 63.566 63.200 0.113 0.000 1.007 310 S HN 0.705 nan 8.310 nan 0.000 0.474 311 L N 5.388 126.612 121.223 0.002 0.000 2.454 311 L HA 0.497 4.837 4.340 0.000 0.000 0.256 311 L C -1.410 175.452 176.870 -0.014 0.000 1.136 311 L CA -1.661 53.160 54.840 -0.033 0.000 0.804 311 L CB 0.490 42.513 42.059 -0.059 0.000 1.181 311 L HN 0.551 nan 8.230 nan 0.000 0.469 312 P HA 0.109 nan 4.420 nan 0.000 0.257 312 P C 0.317 177.585 177.300 -0.052 0.000 1.737 312 P CA -0.020 63.048 63.100 -0.053 0.000 1.130 312 P CB 0.606 32.280 31.700 -0.043 0.000 1.572 313 S N -1.045 114.629 115.700 -0.043 0.000 2.655 313 S HA 0.446 4.916 4.470 0.000 0.000 0.231 313 S C 1.301 175.866 174.600 -0.058 0.000 1.044 313 S CA 0.792 58.968 58.200 -0.039 0.000 0.910 313 S CB -0.641 62.547 63.200 -0.020 0.000 0.833 313 S HN 0.234 nan 8.310 nan 0.000 0.581 314 G N 0.812 109.581 108.800 -0.053 0.000 2.441 314 G HA2 0.026 3.986 3.960 0.000 0.000 0.139 314 G HA3 0.026 3.986 3.960 0.000 0.000 0.139 314 G C -0.829 174.052 174.900 -0.032 0.000 1.067 314 G CA -0.531 44.527 45.100 -0.070 0.000 0.766 314 G HN 0.347 nan 8.290 nan 0.000 0.484 315 E N 2.071 122.269 120.200 -0.004 0.000 2.028 315 E HA 0.406 4.756 4.350 0.000 0.000 0.266 315 E C -1.736 174.887 176.600 0.038 0.000 0.962 315 E CA -1.968 54.443 56.400 0.018 0.000 0.784 315 E CB 1.481 31.197 29.700 0.026 0.000 1.114 315 E HN 0.352 nan 8.360 nan 0.000 0.414 316 P HA -0.084 nan 4.420 nan 0.000 0.262 316 P C 0.249 177.580 177.300 0.051 0.000 1.182 316 P CA 0.384 63.502 63.100 0.031 0.000 0.761 316 P CB 0.989 32.702 31.700 0.021 0.000 0.795 317 L N 2.313 123.565 121.223 0.049 0.000 2.145 317 L HA 0.123 4.463 4.340 0.000 0.000 0.201 317 L C 1.184 178.009 176.870 -0.075 0.000 1.075 317 L CA 0.917 55.861 54.840 0.172 0.000 0.773 317 L CB -0.213 42.006 42.059 0.268 0.000 0.936 317 L HN 0.284 nan 8.230 nan 0.000 0.451 318 L N 1.070 122.082 121.223 -0.351 0.000 2.529 318 L HA 0.314 4.654 4.340 0.000 0.000 0.260 318 L C -0.435 176.297 176.870 -0.230 0.000 0.997 318 L CA -0.321 54.173 54.840 -0.576 0.000 0.885 318 L CB 1.063 42.344 42.059 -1.296 0.000 1.185 318 L HN 0.202 nan 8.230 nan 0.000 0.442 319 E N 2.271 122.468 120.200 -0.004 0.000 2.243 319 E HA 0.838 5.188 4.350 0.000 0.000 0.260 319 E C -0.227 176.469 176.600 0.160 0.000 0.985 319 E CA -1.164 55.310 56.400 0.122 0.000 0.858 319 E CB 1.507 31.228 29.700 0.035 0.000 1.210 319 E HN 0.559 nan 8.360 nan 0.000 0.411 320 G N -0.454 108.328 108.800 -0.030 0.000 2.371 320 G HA2 0.545 4.505 3.960 0.000 0.000 0.326 320 G HA3 0.545 4.505 3.960 0.000 0.000 0.326 320 G C -0.519 174.249 174.900 -0.221 0.000 1.127 320 G CA -0.640 44.310 45.100 -0.251 0.000 0.885 320 G HN 0.554 nan 8.290 nan 0.000 0.477 321 G N -0.036 108.641 108.800 -0.206 0.000 2.415 321 G HA2 0.608 4.568 3.960 0.000 0.000 0.327 321 G HA3 0.608 4.568 3.960 0.000 0.000 0.327 321 G C -1.035 173.747 174.900 -0.197 0.000 1.182 321 G CA -0.485 44.511 45.100 -0.174 0.000 0.924 321 G HN 0.931 nan 8.290 nan 0.000 0.470 322 L N 2.724 123.832 121.223 -0.192 0.000 2.381 322 L HA 0.776 5.116 4.340 0.000 0.000 0.268 322 L C -2.315 174.508 176.870 -0.078 0.000 0.997 322 L CA -1.668 53.076 54.840 -0.160 0.000 0.818 322 L CB 1.721 43.628 42.059 -0.253 0.000 1.310 322 L HN 0.347 nan 8.230 nan 0.000 0.416 323 P HA -0.010 nan 4.420 nan 0.000 0.272 323 P C -0.179 177.118 177.300 -0.005 0.000 1.210 323 P CA 0.127 63.217 63.100 -0.015 0.000 0.789 323 P CB 0.561 32.263 31.700 0.002 0.000 0.849 324 E N 1.057 121.258 120.200 0.001 0.000 2.045 324 E HA -0.131 4.219 4.350 0.000 0.000 0.190 324 E C 1.292 177.905 176.600 0.023 0.000 0.968 324 E CA 1.582 57.987 56.400 0.009 0.000 0.813 324 E CB -0.687 29.016 29.700 0.005 0.000 0.780 324 E HN 0.536 nan 8.360 nan 0.000 0.455 325 D N 0.307 120.719 120.400 0.020 0.000 2.264 325 D HA -0.149 4.491 4.640 0.000 0.000 0.208 325 D C 1.919 178.241 176.300 0.036 0.000 0.966 325 D CA 0.652 54.667 54.000 0.026 0.000 0.864 325 D CB -0.474 40.337 40.800 0.018 0.000 0.933 325 D HN 0.316 nan 8.370 nan 0.000 0.499 326 L N -0.417 120.829 121.223 0.039 0.000 2.313 326 L HA 0.086 4.426 4.340 0.000 0.000 0.214 326 L C 2.711 179.633 176.870 0.086 0.000 1.119 326 L CA 0.280 55.153 54.840 0.056 0.000 0.809 326 L CB -0.222 41.868 42.059 0.052 0.000 0.933 326 L HN 0.034 nan 8.230 nan 0.000 0.449 327 R N 0.190 120.735 120.500 0.075 0.000 2.200 327 R HA -0.068 4.272 4.340 0.000 0.000 0.208 327 R C 2.017 178.369 176.300 0.087 0.000 1.033 327 R CA 0.536 56.694 56.100 0.096 0.000 1.000 327 R CB 0.189 30.524 30.300 0.059 0.000 0.906 327 R HN 0.116 nan 8.270 nan 0.000 0.462 328 R N 0.488 121.027 120.500 0.065 0.000 2.193 328 R HA -0.001 4.339 4.340 0.000 0.000 0.213 328 R C 2.303 178.640 176.300 0.062 0.000 1.055 328 R CA 1.328 57.462 56.100 0.057 0.000 0.995 328 R CB -0.091 30.234 30.300 0.041 0.000 0.893 328 R HN 0.355 nan 8.270 nan 0.000 0.459 329 S N 0.322 116.061 115.700 0.064 0.000 2.359 329 S HA -0.124 4.346 4.470 0.000 0.000 0.224 329 S C 0.964 175.610 174.600 0.076 0.000 1.035 329 S CA 0.751 58.987 58.200 0.060 0.000 1.018 329 S CB -0.535 62.700 63.200 0.058 0.000 0.876 329 S HN 0.231 nan 8.310 nan 0.000 0.448 330 I N 2.586 123.213 120.570 0.095 0.000 2.578 330 I HA 0.198 4.368 4.170 0.000 0.000 0.286 330 I C 1.581 177.762 176.117 0.106 0.000 1.126 330 I CA -0.105 61.259 61.300 0.107 0.000 1.380 330 I CB 0.279 38.353 38.000 0.122 0.000 1.408 330 I HN 0.305 nan 8.210 nan 0.000 0.532 331 A N 5.926 128.815 122.820 0.116 0.000 1.825 331 A HA 0.303 4.623 4.320 0.000 0.000 0.214 331 A C 1.233 178.880 177.584 0.105 0.000 1.206 331 A CA 1.471 53.573 52.037 0.108 0.000 0.609 331 A CB -0.567 18.507 19.000 0.124 0.000 0.851 331 A HN 0.796 nan 8.150 nan 0.000 0.445 332 G N -2.365 106.505 108.800 0.116 0.000 2.911 332 G HA2 0.516 4.476 3.960 0.000 0.000 0.299 332 G HA3 0.516 4.476 3.960 0.000 0.000 0.299 332 G C -0.988 173.990 174.900 0.130 0.000 1.283 332 G CA 0.422 45.590 45.100 0.114 0.000 0.805 332 G HN 1.257 nan 8.290 nan 0.000 0.548 333 S N -0.729 115.053 115.700 0.137 0.000 2.649 333 S HA 0.757 5.227 4.470 0.000 0.000 0.274 333 S C -0.989 173.713 174.600 0.170 0.000 1.176 333 S CA -0.889 57.411 58.200 0.167 0.000 0.988 333 S CB 1.988 65.289 63.200 0.168 0.000 1.071 333 S HN 0.784 nan 8.310 nan 0.000 0.478 334 R N 1.179 121.784 120.500 0.175 0.000 2.686 334 R HA 0.618 4.958 4.340 0.000 0.000 0.283 334 R C -1.725 174.581 176.300 0.011 0.000 0.978 334 R CA -0.954 55.214 56.100 0.114 0.000 0.897 334 R CB 1.795 32.167 30.300 0.121 0.000 1.192 334 R HN 0.546 nan 8.270 nan 0.000 0.457 335 L N 3.760 124.929 121.223 -0.090 0.000 2.277 335 L HA 0.425 4.765 4.340 0.000 0.000 0.284 335 L C -0.774 175.957 176.870 -0.232 0.000 1.028 335 L CA -0.580 54.047 54.840 -0.355 0.000 0.835 335 L CB 1.540 43.365 42.059 -0.390 0.000 1.215 335 L HN 0.535 nan 8.230 nan 0.000 0.425 336 V N 2.204 121.888 119.914 -0.383 0.000 2.513 336 V HA 0.635 4.755 4.120 0.000 0.000 0.299 336 V C -1.260 174.580 176.094 -0.422 0.000 1.035 336 V CA -0.573 61.537 62.300 -0.316 0.000 0.889 336 V CB 1.504 32.986 31.823 -0.569 0.000 0.988 336 V HN 0.754 nan 8.190 nan 0.000 0.440 337 W N 4.272 125.371 121.300 -0.335 0.000 2.295 337 W HA 0.651 5.311 4.660 -0.000 0.000 0.333 337 W C -0.162 176.190 176.519 -0.279 0.000 0.990 337 W CA -0.706 56.456 57.345 -0.305 0.000 1.453 337 W CB 1.155 30.474 29.460 -0.235 0.000 1.263 337 W HN 0.546 nan 8.180 nan 0.000 0.380 338 V N 2.836 122.643 119.914 -0.178 0.000 2.583 338 V HA 0.103 4.223 4.120 0.000 0.000 0.287 338 V C 0.531 176.623 176.094 -0.003 0.000 1.051 338 V CA -0.886 61.341 62.300 -0.122 0.000 1.010 338 V CB 0.992 32.711 31.823 -0.173 0.000 0.988 338 V HN 0.393 nan 8.190 nan 0.000 0.478 339 E N 3.299 123.526 120.200 0.044 0.000 2.398 339 E HA 0.336 4.686 4.350 0.000 0.000 0.263 339 E C 0.006 176.674 176.600 0.113 0.000 1.046 339 E CA 0.356 56.800 56.400 0.073 0.000 0.908 339 E CB 1.153 30.898 29.700 0.076 0.000 0.963 339 E HN 0.780 nan 8.360 nan 0.000 0.431 340 S N 2.596 118.391 115.700 0.158 0.000 2.806 340 S HA 0.333 4.803 4.470 0.000 0.000 0.315 340 S C 0.639 175.430 174.600 0.318 0.000 1.127 340 S CA -0.420 57.928 58.200 0.247 0.000 0.918 340 S CB 0.064 63.467 63.200 0.339 0.000 1.240 340 S HN 0.614 nan 8.310 nan 0.000 0.552 341 F N 0.749 120.745 119.950 0.077 0.000 2.546 341 F HA 0.173 4.700 4.527 -0.000 0.000 0.298 341 F C 1.207 177.042 175.800 0.058 0.000 1.120 341 F CA 0.907 58.942 58.000 0.057 0.000 1.456 341 F CB 0.003 39.031 39.000 0.047 0.000 1.088 341 F HN 0.539 nan 8.300 nan 0.000 0.572 342 D N -0.642 119.776 120.400 0.029 0.000 2.469 342 D HA 0.215 4.855 4.640 0.000 0.000 0.213 342 D C 1.662 177.948 176.300 -0.023 0.000 1.135 342 D CA 0.625 54.496 54.000 -0.215 0.000 0.834 342 D CB 0.475 41.089 40.800 -0.310 0.000 1.009 342 D HN 0.400 nan 8.370 nan 0.000 0.507 343 G N 0.571 109.406 108.800 0.059 0.000 2.232 343 G HA2 -0.258 3.702 3.960 0.000 0.000 0.226 343 G HA3 -0.258 3.702 3.960 0.000 0.000 0.226 343 G C 0.277 175.208 174.900 0.053 0.000 0.996 343 G CA 0.101 45.227 45.100 0.044 0.000 0.626 343 G HN 0.334 nan 8.290 nan 0.000 0.509 344 S N 1.864 117.621 115.700 0.095 0.000 2.465 344 S HA 0.398 4.868 4.470 0.000 0.000 0.280 344 S C 0.819 175.407 174.600 -0.020 0.000 1.232 344 S CA -0.314 57.915 58.200 0.049 0.000 1.066 344 S CB 0.554 63.852 63.200 0.163 0.000 0.929 344 S HN 0.476 nan 8.310 nan 0.000 0.494 345 R N 2.163 122.621 120.500 -0.069 0.000 2.446 345 R HA 0.092 4.432 4.340 0.000 0.000 0.314 345 R C -0.637 175.523 176.300 -0.234 0.000 1.003 345 R CA -0.064 56.025 56.100 -0.019 0.000 1.018 345 R CB -0.001 30.395 30.300 0.161 0.000 0.945 345 R HN 0.340 nan 8.270 nan 0.000 0.419 346 V N 6.944 126.747 119.914 -0.185 0.000 2.339 346 V HA 0.142 4.262 4.120 0.000 0.000 0.261 346 V C -1.663 174.158 176.094 -0.456 0.000 1.058 346 V CA -1.889 60.268 62.300 -0.239 0.000 0.897 346 V CB 0.703 32.555 31.823 0.049 0.000 1.052 346 V HN 0.685 nan 8.190 nan 0.000 0.480 347 P HA 0.116 nan 4.420 nan 0.000 0.265 347 P C -0.152 176.652 177.300 -0.826 0.000 1.222 347 P CA 0.404 62.676 63.100 -1.379 0.000 0.767 347 P CB 0.579 31.019 31.700 -2.100 0.000 0.801 348 T N 4.039 118.154 114.554 -0.731 0.000 2.861 348 T HA 0.377 4.727 4.350 0.000 0.000 0.287 348 T C -0.556 173.882 174.700 -0.437 0.000 1.003 348 T CA -0.142 61.700 62.100 -0.429 0.000 0.977 348 T CB 0.617 69.273 68.868 -0.353 0.000 0.996 348 T HN 0.135 nan 8.240 nan 0.000 0.448 349 Y N 1.239 121.440 120.300 -0.164 0.000 2.354 349 Y HA 0.608 5.158 4.550 0.000 0.000 0.322 349 Y C 0.164 176.057 175.900 -0.011 0.000 1.253 349 Y CA -0.446 57.605 58.100 -0.083 0.000 1.272 349 Y CB 1.227 39.673 38.460 -0.022 0.000 1.255 349 Y HN 0.262 nan 8.280 nan 0.000 0.500 350 V N 3.623 123.678 119.914 0.234 0.000 2.686 350 V HA 0.286 4.406 4.120 0.000 0.000 0.306 350 V C -1.234 174.996 176.094 0.226 0.000 1.065 350 V CA -0.818 61.630 62.300 0.247 0.000 0.894 350 V CB 1.913 33.919 31.823 0.305 0.000 1.004 350 V HN 0.462 nan 8.190 nan 0.000 0.424 351 L N 3.585 124.934 121.223 0.210 0.000 2.387 351 L HA 0.601 4.941 4.340 0.000 0.000 0.259 351 L C 0.203 177.191 176.870 0.196 0.000 1.050 351 L CA -0.201 54.744 54.840 0.176 0.000 0.922 351 L CB 0.801 42.943 42.059 0.139 0.000 1.280 351 L HN 0.629 nan 8.230 nan 0.000 0.449 352 E N 1.298 121.597 120.200 0.164 0.000 2.502 352 E HA 0.039 4.389 4.350 0.000 0.000 0.261 352 E C -0.133 176.625 176.600 0.264 0.000 0.974 352 E CA 0.523 57.018 56.400 0.160 0.000 0.936 352 E CB 0.591 30.350 29.700 0.099 0.000 0.926 352 E HN 0.381 nan 8.360 nan 0.000 0.459 353 S N 1.632 117.615 115.700 0.472 0.000 2.433 353 S HA 0.483 4.953 4.470 0.000 0.000 0.310 353 S C 1.128 175.819 174.600 0.152 0.000 1.097 353 S CA -0.218 58.127 58.200 0.242 0.000 1.103 353 S CB 1.002 64.248 63.200 0.077 0.000 0.992 353 S HN 0.565 nan 8.310 nan 0.000 0.469 354 G N 3.937 112.795 108.800 0.096 0.000 2.511 354 G HA2 -0.043 3.917 3.960 0.000 0.000 0.217 354 G HA3 -0.043 3.917 3.960 0.000 0.000 0.217 354 G C 1.249 176.163 174.900 0.024 0.000 1.133 354 G CA 0.058 45.198 45.100 0.066 0.000 0.792 354 G HN 0.670 nan 8.290 nan 0.000 0.539 355 R N 0.386 120.884 120.500 -0.004 0.000 2.317 355 R HA 0.337 4.677 4.340 0.000 0.000 0.208 355 R C 0.491 176.728 176.300 -0.104 0.000 0.914 355 R CA 0.261 56.335 56.100 -0.042 0.000 1.060 355 R CB 0.179 30.456 30.300 -0.039 0.000 1.015 355 R HN 0.277 nan 8.270 nan 0.000 0.498 356 A N 3.027 125.772 122.820 -0.125 0.000 2.342 356 A HA 0.519 4.839 4.320 0.000 0.000 0.323 356 A C -2.413 175.100 177.584 -0.118 0.000 1.125 356 A CA -1.706 50.175 52.037 -0.262 0.000 0.785 356 A CB 1.183 19.778 19.000 -0.675 0.000 1.221 356 A HN -0.114 nan 8.150 nan 0.000 0.463 357 P HA 0.184 nan 4.420 nan 0.000 0.287 357 P C -0.351 177.005 177.300 0.093 0.000 1.307 357 P CA 0.184 63.281 63.100 -0.004 0.000 0.777 357 P CB 1.109 32.785 31.700 -0.039 0.000 0.883 358 T N 4.782 119.432 114.554 0.160 0.000 2.767 358 T HA 0.415 4.765 4.350 0.000 0.000 0.288 358 T C -2.009 172.724 174.700 0.056 0.000 0.963 358 T CA -1.932 60.275 62.100 0.178 0.000 1.019 358 T CB -0.020 68.912 68.868 0.108 0.000 0.923 358 T HN 0.276 nan 8.240 nan 0.000 0.468 359 P HA 0.466 nan 4.420 nan 0.000 0.276 359 P C -0.115 177.232 177.300 0.079 0.000 1.253 359 P CA -0.248 62.879 63.100 0.045 0.000 0.766 359 P CB 0.971 32.663 31.700 -0.013 0.000 0.845 360 G N 3.289 112.191 108.800 0.169 0.000 3.086 360 G HA2 0.515 4.475 3.960 0.000 0.000 0.282 360 G HA3 0.515 4.475 3.960 0.000 0.000 0.282 360 G C -3.176 171.779 174.900 0.092 0.000 1.343 360 G CA -1.652 43.486 45.100 0.063 0.000 0.895 360 G HN 0.166 nan 8.290 nan 0.000 0.557 361 P HA 0.190 nan 4.420 nan 0.000 0.256 361 P C -0.151 177.296 177.300 0.246 0.000 1.189 361 P CA 0.771 63.928 63.100 0.096 0.000 0.808 361 P CB 0.511 32.055 31.700 -0.260 0.000 0.793 362 T N 2.247 117.050 114.554 0.415 0.000 2.937 362 T HA 0.633 4.983 4.350 0.000 0.000 0.283 362 T C -0.253 174.752 174.700 0.509 0.000 1.012 362 T CA -0.461 61.905 62.100 0.444 0.000 0.997 362 T CB 1.031 70.103 68.868 0.340 0.000 1.136 362 T HN -0.048 nan 8.240 nan 0.000 0.551 363 V N 1.033 121.178 119.914 0.384 0.000 2.969 363 V HA 0.365 4.485 4.120 0.000 0.000 0.304 363 V C -0.951 175.276 176.094 0.222 0.000 1.192 363 V CA -0.875 61.597 62.300 0.286 0.000 0.962 363 V CB 2.436 34.353 31.823 0.157 0.000 1.045 363 V HN 0.687 nan 8.190 nan 0.000 0.428 364 V N 4.657 124.659 119.914 0.147 0.000 2.270 364 V HA 0.279 4.399 4.120 0.000 0.000 0.263 364 V C 0.390 176.535 176.094 0.084 0.000 1.066 364 V CA -0.187 62.200 62.300 0.145 0.000 0.857 364 V CB 0.986 32.912 31.823 0.171 0.000 1.099 364 V HN 0.717 nan 8.190 nan 0.000 0.476 365 L N 6.240 127.538 121.223 0.125 0.000 2.858 365 L HA 0.167 4.507 4.340 0.000 0.000 0.243 365 L C 0.536 177.486 176.870 0.133 0.000 1.416 365 L CA 0.567 55.477 54.840 0.118 0.000 1.182 365 L CB -0.221 41.915 42.059 0.128 0.000 1.564 365 L HN 0.480 nan 8.230 nan 0.000 0.436 366 V N 3.435 123.409 119.914 0.100 0.000 2.621 366 V HA -0.150 3.970 4.120 0.000 0.000 0.300 366 V C 1.303 177.490 176.094 0.155 0.000 1.031 366 V CA 0.343 62.707 62.300 0.107 0.000 1.210 366 V CB -1.188 30.620 31.823 -0.025 0.000 0.864 366 V HN 0.689 nan 8.190 nan 0.000 0.477 367 H N 4.048 123.273 119.070 0.258 0.000 2.021 367 H HA 0.505 5.061 4.556 0.000 0.000 0.333 367 H C 0.491 175.995 175.328 0.292 0.000 1.934 367 H CA -0.100 56.071 56.048 0.204 0.000 1.383 367 H CB 0.644 30.489 29.762 0.139 0.000 1.670 367 H HN 0.592 nan 8.280 nan 0.000 0.533 368 G N -3.614 105.478 108.800 0.487 0.000 3.016 368 G HA2 0.486 4.446 3.960 0.000 0.000 0.270 368 G HA3 0.486 4.446 3.960 0.000 0.000 0.270 368 G C 0.324 175.463 174.900 0.399 0.000 1.352 368 G CA -0.314 45.053 45.100 0.445 0.000 1.060 368 G HN 1.039 nan 8.290 nan 0.000 0.538 369 G N -0.348 108.601 108.800 0.249 0.000 3.700 369 G HA2 -0.182 3.778 3.960 0.000 0.000 0.211 369 G HA3 -0.182 3.778 3.960 0.000 0.000 0.211 369 G C -0.564 174.093 174.900 -0.405 0.000 1.777 369 G CA 0.775 45.881 45.100 0.011 0.000 1.460 369 G HN 0.812 nan 8.290 nan 0.000 0.615 370 P HA 0.070 nan 4.420 nan 0.000 0.225 370 P C 0.798 178.012 177.300 -0.144 0.000 1.148 370 P CA 0.435 63.332 63.100 -0.338 0.000 0.779 370 P CB -0.429 31.104 31.700 -0.279 0.000 0.780 371 F N 1.357 121.260 119.950 -0.078 0.000 2.431 371 F HA 0.136 4.663 4.527 0.000 0.000 0.321 371 F C 1.466 177.255 175.800 -0.019 0.000 1.250 371 F CA 0.134 58.106 58.000 -0.047 0.000 1.099 371 F CB -1.277 37.648 39.000 -0.125 0.000 1.548 371 F HN 0.129 nan 8.300 nan 0.000 0.659 372 A N 0.735 123.627 122.820 0.120 0.000 2.483 372 A HA 0.835 5.155 4.320 0.000 0.000 0.306 372 A C -1.327 176.024 177.584 -0.388 0.000 1.137 372 A CA -0.749 51.250 52.037 -0.062 0.000 0.626 372 A CB 1.667 20.652 19.000 -0.024 0.000 1.352 372 A HN 0.225 nan 8.150 nan 0.000 0.508 373 E N -0.013 119.821 120.200 -0.610 0.000 2.400 373 E HA 0.416 4.766 4.350 0.000 0.000 0.285 373 E C -2.241 174.146 176.600 -0.354 0.000 1.005 373 E CA -0.443 55.613 56.400 -0.573 0.000 0.816 373 E CB 1.420 31.096 29.700 -0.038 0.000 1.220 373 E HN 0.542 nan 8.360 nan 0.000 0.426 374 D N 2.022 122.318 120.400 -0.175 0.000 2.312 374 D HA 0.345 4.985 4.640 0.000 0.000 0.252 374 D C 0.007 176.235 176.300 -0.120 0.000 1.150 374 D CA 0.190 54.136 54.000 -0.090 0.000 0.870 374 D CB 1.219 42.057 40.800 0.064 0.000 1.153 374 D HN 0.444 nan 8.370 nan 0.000 0.457 375 S N 0.997 116.498 115.700 -0.331 0.000 3.255 375 S HA 0.253 4.723 4.470 0.000 0.000 0.305 375 S C 0.031 174.259 174.600 -0.620 0.000 1.067 375 S CA -0.703 57.287 58.200 -0.351 0.000 0.966 375 S CB 1.319 64.472 63.200 -0.079 0.000 1.366 375 S HN 0.228 nan 8.310 nan 0.000 0.717 376 D N 1.481 121.729 120.400 -0.254 0.000 3.072 376 D HA 0.481 5.121 4.640 0.000 0.000 0.250 376 D C -0.763 175.469 176.300 -0.114 0.000 1.304 376 D CA 0.093 53.992 54.000 -0.167 0.000 0.861 376 D CB -0.179 40.619 40.800 -0.003 0.000 1.062 376 D HN 0.339 nan 8.370 nan 0.000 0.481 377 S N 0.090 115.709 115.700 -0.134 0.000 2.532 377 S HA 0.226 4.696 4.470 0.000 0.000 0.301 377 S C -0.381 174.221 174.600 0.004 0.000 1.083 377 S CA -0.847 57.319 58.200 -0.057 0.000 1.025 377 S CB 1.842 65.009 63.200 -0.055 0.000 1.056 377 S HN 0.314 nan 8.310 nan 0.000 0.494 378 W N 4.493 125.726 121.300 -0.112 0.000 2.607 378 W HA 0.027 4.687 4.660 0.000 0.000 0.336 378 W C -0.914 175.582 176.519 -0.038 0.000 1.439 378 W CA 0.385 57.687 57.345 -0.072 0.000 1.346 378 W CB 0.165 29.583 29.460 -0.071 0.000 1.425 378 W HN 0.548 nan 8.180 nan 0.000 0.565 379 D N 5.859 125.922 120.400 -0.562 0.000 2.473 379 D HA 0.068 4.708 4.640 0.000 0.000 0.226 379 D C 1.266 177.124 176.300 -0.736 0.000 1.089 379 D CA -0.013 53.701 54.000 -0.477 0.000 0.883 379 D CB 1.168 41.816 40.800 -0.254 0.000 1.029 379 D HN 0.335 nan 8.370 nan 0.000 0.517 380 T N 2.940 117.082 114.554 -0.687 0.000 2.450 380 T HA -0.263 4.087 4.350 0.000 0.000 0.250 380 T C 1.693 176.258 174.700 -0.225 0.000 1.264 380 T CA 1.322 63.154 62.100 -0.447 0.000 1.191 380 T CB -0.543 68.333 68.868 0.013 0.000 0.862 380 T HN 0.412 nan 8.240 nan 0.000 0.411 381 F N 1.837 121.630 119.950 -0.263 0.000 2.135 381 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 381 F C 2.599 178.298 175.800 -0.169 0.000 1.074 381 F CA 0.885 58.779 58.000 -0.176 0.000 1.262 381 F CB -1.281 37.645 39.000 -0.123 0.000 1.013 381 F HN 0.232 nan 8.300 nan 0.000 0.489 382 A N -0.072 122.728 122.820 -0.033 0.000 1.835 382 A HA -0.048 4.272 4.320 0.000 0.000 0.215 382 A C 2.501 180.015 177.584 -0.116 0.000 1.199 382 A CA 2.134 54.131 52.037 -0.065 0.000 0.615 382 A CB -1.522 17.402 19.000 -0.128 0.000 0.838 382 A HN 0.325 nan 8.150 nan 0.000 0.444 383 A N 0.291 122.935 122.820 -0.293 0.000 1.940 383 A HA -0.258 4.062 4.320 0.000 0.000 0.221 383 A C 2.471 179.996 177.584 -0.097 0.000 1.190 383 A CA 3.152 55.039 52.037 -0.251 0.000 0.647 383 A CB -1.292 17.380 19.000 -0.547 0.000 0.821 383 A HN 1.020 nan 8.150 nan 0.000 0.457 384 S N 0.040 115.668 115.700 -0.120 0.000 2.368 384 S HA -0.090 4.380 4.470 0.000 0.000 0.225 384 S C 1.840 176.432 174.600 -0.012 0.000 1.030 384 S CA 1.460 59.611 58.200 -0.081 0.000 0.999 384 S CB -0.712 62.378 63.200 -0.183 0.000 0.844 384 S HN 0.479 nan 8.310 nan 0.000 0.459 385 L N 1.390 122.618 121.223 0.008 0.000 2.056 385 L HA -0.056 4.284 4.340 0.000 0.000 0.207 385 L C 3.128 180.094 176.870 0.160 0.000 1.078 385 L CA 1.114 56.023 54.840 0.114 0.000 0.749 385 L CB -0.909 41.215 42.059 0.107 0.000 0.901 385 L HN 0.434 nan 8.230 nan 0.000 0.433 386 A N 0.271 123.149 122.820 0.096 0.000 1.845 386 A HA -0.208 4.112 4.320 0.000 0.000 0.215 386 A C 2.562 180.177 177.584 0.051 0.000 1.195 386 A CA 1.898 53.985 52.037 0.084 0.000 0.616 386 A CB -0.884 18.165 19.000 0.081 0.000 0.832 386 A HN 0.386 nan 8.150 nan 0.000 0.443 387 A N -0.188 122.661 122.820 0.048 0.000 1.892 387 A HA 0.104 4.424 4.320 0.000 0.000 0.218 387 A C 2.352 179.955 177.584 0.033 0.000 1.188 387 A CA 2.243 54.302 52.037 0.038 0.000 0.631 387 A CB -1.043 17.981 19.000 0.040 0.000 0.822 387 A HN 1.257 nan 8.150 nan 0.000 0.447 388 A N -2.015 120.847 122.820 0.070 0.000 2.239 388 A HA 0.387 4.707 4.320 0.000 0.000 0.209 388 A C 1.863 179.467 177.584 0.032 0.000 1.171 388 A CA 1.264 53.364 52.037 0.105 0.000 0.768 388 A CB -1.109 18.016 19.000 0.207 0.000 0.790 388 A HN 1.992 nan 8.150 nan 0.000 0.478 389 G N -2.175 106.601 108.800 -0.041 0.000 2.195 389 G HA2 -0.254 3.706 3.960 0.000 0.000 0.246 389 G HA3 -0.254 3.706 3.960 0.000 0.000 0.246 389 G C -0.014 174.665 174.900 -0.368 0.000 0.984 389 G CA 0.158 45.118 45.100 -0.233 0.000 0.633 389 G HN 0.381 nan 8.290 nan 0.000 0.525 390 F N 2.752 122.640 119.950 -0.103 0.000 2.404 390 F HA 0.580 5.107 4.527 -0.000 0.000 0.345 390 F C 1.277 177.063 175.800 -0.023 0.000 1.110 390 F CA -1.005 56.952 58.000 -0.072 0.000 1.130 390 F CB 0.656 39.651 39.000 -0.010 0.000 1.129 390 F HN 0.030 nan 8.300 nan 0.000 0.500 391 H N 1.573 120.778 119.070 0.224 0.000 2.745 391 H HA 0.343 4.899 4.556 -0.000 0.000 0.373 391 H C -0.461 174.995 175.328 0.214 0.000 1.226 391 H CA -0.052 56.102 56.048 0.177 0.000 1.435 391 H CB 1.240 31.087 29.762 0.141 0.000 1.461 391 H HN 0.259 nan 8.280 nan 0.000 0.616 392 V N 2.766 122.877 119.914 0.329 0.000 2.443 392 V HA 0.139 4.259 4.120 0.000 0.000 0.293 392 V C -0.362 175.888 176.094 0.260 0.000 1.021 392 V CA -0.666 61.788 62.300 0.257 0.000 0.848 392 V CB 1.854 33.787 31.823 0.182 0.000 0.998 392 V HN 0.398 nan 8.190 nan 0.000 0.424 393 V N 6.642 126.719 119.914 0.272 0.000 2.347 393 V HA 0.471 4.591 4.120 0.000 0.000 0.280 393 V C 0.036 176.268 176.094 0.231 0.000 1.021 393 V CA -0.351 62.122 62.300 0.289 0.000 0.847 393 V CB 1.522 33.563 31.823 0.364 0.000 0.990 393 V HN 0.855 nan 8.190 nan 0.000 0.444 394 M N 8.093 127.821 119.600 0.214 0.000 2.268 394 M HA 0.324 4.804 4.480 0.000 0.000 0.340 394 M C -2.603 173.830 176.300 0.221 0.000 1.099 394 M CA -1.651 53.779 55.300 0.216 0.000 1.053 394 M CB 1.437 34.154 32.600 0.195 0.000 1.284 394 M HN 0.330 nan 8.290 nan 0.000 0.410 395 P HA -0.014 nan 4.420 nan 0.000 0.264 395 P C -1.034 176.419 177.300 0.256 0.000 1.193 395 P CA 0.366 63.600 63.100 0.223 0.000 0.763 395 P CB 0.306 32.171 31.700 0.275 0.000 0.810 396 N N 2.611 121.385 118.700 0.123 0.000 3.025 396 N HA 0.107 4.847 4.740 0.000 0.000 0.315 396 N C 0.192 175.829 175.510 0.212 0.000 1.511 396 N CA -0.677 52.420 53.050 0.078 0.000 1.097 396 N CB -0.244 38.130 38.487 -0.188 0.000 1.395 396 N HN 0.484 nan 8.380 nan 0.000 0.511 397 Y N -0.146 120.281 120.300 0.211 0.000 2.321 397 Y HA 0.086 4.636 4.550 0.000 0.000 0.353 397 Y C 0.852 176.495 175.900 -0.428 0.000 1.276 397 Y CA -1.328 56.821 58.100 0.082 0.000 1.545 397 Y CB 0.394 38.820 38.460 -0.057 0.000 1.377 397 Y HN 0.126 nan 8.280 nan 0.000 0.650 398 R N 0.969 120.928 120.500 -0.903 0.000 2.404 398 R HA 0.434 4.774 4.340 0.000 0.000 0.315 398 R C 0.450 176.376 176.300 -0.624 0.000 1.032 398 R CA 0.415 55.612 56.100 -1.504 0.000 0.992 398 R CB -0.254 29.342 30.300 -1.174 0.000 0.959 398 R HN 1.247 nan 8.270 nan 0.000 0.428 399 G N 1.980 110.381 108.800 -0.666 0.000 2.551 399 G HA2 -0.208 3.752 3.960 0.000 0.000 0.186 399 G HA3 -0.208 3.752 3.960 0.000 0.000 0.186 399 G C -0.046 174.630 174.900 -0.373 0.000 1.002 399 G CA -0.257 44.567 45.100 -0.459 0.000 0.723 399 G HN 0.572 nan 8.290 nan 0.000 0.481 400 S N 1.061 116.533 115.700 -0.381 0.000 2.596 400 S HA 0.572 5.042 4.470 0.000 0.000 0.260 400 S C 0.849 175.528 174.600 0.131 0.000 1.336 400 S CA 0.708 58.875 58.200 -0.055 0.000 0.993 400 S CB 1.080 64.293 63.200 0.021 0.000 0.923 400 S HN 1.118 nan 8.310 nan 0.000 0.567 401 T N -2.458 112.204 114.554 0.181 0.000 2.919 401 T HA 0.690 5.040 4.350 0.000 0.000 0.282 401 T C 1.098 175.933 174.700 0.225 0.000 1.020 401 T CA -0.153 62.074 62.100 0.211 0.000 0.994 401 T CB 0.956 69.921 68.868 0.161 0.000 1.180 401 T HN 1.243 nan 8.240 nan 0.000 0.566 402 G N -0.341 108.528 108.800 0.115 0.000 2.212 402 G HA2 -0.257 3.703 3.960 0.000 0.000 0.266 402 G HA3 -0.257 3.703 3.960 0.000 0.000 0.266 402 G C 0.043 174.751 174.900 -0.319 0.000 0.978 402 G CA 0.566 45.625 45.100 -0.068 0.000 0.632 402 G HN 0.826 nan 8.290 nan 0.000 0.537 403 Y N 0.740 121.133 120.300 0.155 0.000 2.629 403 Y HA 0.499 5.049 4.550 0.000 0.000 0.282 403 Y C 1.068 177.083 175.900 0.192 0.000 0.994 403 Y CA -0.102 58.089 58.100 0.152 0.000 1.126 403 Y CB 0.908 39.439 38.460 0.118 0.000 1.187 403 Y HN 1.202 nan 8.280 nan 0.000 0.600 404 G N 0.729 109.656 108.800 0.212 0.000 2.999 404 G HA2 -0.269 3.691 3.960 0.000 0.000 0.686 404 G HA3 -0.269 3.691 3.960 0.000 0.000 0.686 404 G C 0.474 175.519 174.900 0.242 0.000 1.057 404 G CA 0.047 45.264 45.100 0.195 0.000 0.784 404 G HN 0.483 nan 8.290 nan 0.000 0.575 405 E N 0.731 121.028 120.200 0.161 0.000 2.070 405 E HA -0.211 4.139 4.350 0.000 0.000 0.197 405 E C 2.054 178.766 176.600 0.188 0.000 1.004 405 E CA 2.054 58.548 56.400 0.157 0.000 0.805 405 E CB -0.111 29.643 29.700 0.090 0.000 0.744 405 E HN 0.770 nan 8.360 nan 0.000 0.451 406 E N 0.263 120.573 120.200 0.184 0.000 2.035 406 E HA -0.273 4.077 4.350 0.000 0.000 0.204 406 E C 1.912 178.672 176.600 0.267 0.000 1.025 406 E CA 1.731 58.250 56.400 0.197 0.000 0.835 406 E CB -0.714 29.100 29.700 0.189 0.000 0.764 406 E HN 0.635 nan 8.360 nan 0.000 0.457 407 W N 1.607 122.972 121.300 0.108 0.000 2.331 407 W HA -0.240 4.420 4.660 -0.000 0.000 0.291 407 W C 2.337 178.919 176.519 0.105 0.000 1.214 407 W CA 1.539 58.949 57.345 0.109 0.000 1.228 407 W CB -0.109 29.426 29.460 0.124 0.000 1.135 407 W HN 0.155 nan 8.180 nan 0.000 0.537 408 R N 0.330 120.916 120.500 0.142 0.000 2.100 408 R HA -0.043 4.297 4.340 0.000 0.000 0.220 408 R C 1.865 178.201 176.300 0.060 0.000 1.091 408 R CA 0.891 57.019 56.100 0.047 0.000 0.986 408 R CB -0.516 29.924 30.300 0.233 0.000 0.888 408 R HN 0.206 nan 8.270 nan 0.000 0.444 409 L N 0.871 122.170 121.223 0.127 0.000 2.728 409 L HA 0.175 4.515 4.340 0.000 0.000 0.235 409 L C 1.063 177.975 176.870 0.070 0.000 1.197 409 L CA 0.134 55.059 54.840 0.142 0.000 0.992 409 L CB 0.270 42.432 42.059 0.170 0.000 1.263 409 L HN 0.085 nan 8.230 nan 0.000 0.484 410 K N 0.040 120.441 120.400 0.002 0.000 2.356 410 K HA 0.023 4.343 4.320 0.000 0.000 0.195 410 K C 1.874 178.453 176.600 -0.035 0.000 1.037 410 K CA 0.377 56.664 56.287 0.001 0.000 1.014 410 K CB 0.391 32.889 32.500 -0.004 0.000 0.815 410 K HN 0.171 nan 8.250 nan 0.000 0.507 411 I N 1.483 121.998 120.570 -0.092 0.000 2.493 411 I HA -0.108 4.062 4.170 0.000 0.000 0.254 411 I C 0.245 176.330 176.117 -0.053 0.000 1.160 411 I CA 0.661 61.905 61.300 -0.093 0.000 1.445 411 I CB 0.146 38.028 38.000 -0.197 0.000 1.086 411 I HN -0.080 nan 8.210 nan 0.000 0.433 412 I N 2.686 123.244 120.570 -0.019 0.000 2.741 412 I HA 0.069 4.239 4.170 0.000 0.000 0.288 412 I C 1.724 177.837 176.117 -0.006 0.000 1.192 412 I CA 1.101 62.404 61.300 0.004 0.000 1.426 412 I CB -1.308 36.731 38.000 0.066 0.000 1.367 412 I HN 0.568 nan 8.210 nan 0.000 0.563 413 G N 5.025 113.802 108.800 -0.037 0.000 2.189 413 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 413 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 413 G C 0.433 175.323 174.900 -0.017 0.000 0.975 413 G CA 0.486 45.567 45.100 -0.031 0.000 0.644 413 G HN 0.766 nan 8.290 nan 0.000 0.537 414 D N 0.609 121.002 120.400 -0.012 0.000 2.895 414 D HA 0.223 4.863 4.640 0.000 0.000 0.350 414 D C -2.500 173.821 176.300 0.035 0.000 1.389 414 D CA -0.911 53.097 54.000 0.014 0.000 0.812 414 D CB 0.970 41.787 40.800 0.028 0.000 1.164 414 D HN 0.311 nan 8.370 nan 0.000 0.455 415 P HA 0.027 nan 4.420 nan 0.000 0.271 415 P C 0.295 177.724 177.300 0.215 0.000 1.220 415 P CA 0.152 63.380 63.100 0.214 0.000 0.768 415 P CB 0.898 32.688 31.700 0.151 0.000 0.848 416 c N 3.057 121.722 118.600 0.107 0.000 4.024 416 c HA -0.016 4.554 4.570 0.000 0.000 0.310 416 c C 1.143 175.177 174.090 -0.093 0.000 1.182 416 c CA 0.939 57.205 56.329 -0.105 0.000 2.238 416 c CB -2.307 40.120 42.510 -0.139 0.000 1.361 416 c HN 0.922 nan 8.230 nan 0.000 0.626 417 G N 1.127 109.861 108.800 -0.110 0.000 3.858 417 G HA2 0.442 4.402 3.960 0.000 0.000 0.114 417 G HA3 0.442 4.402 3.960 0.000 0.000 0.114 417 G C 1.087 175.872 174.900 -0.192 0.000 1.120 417 G CA 1.246 46.276 45.100 -0.117 0.000 1.226 417 G HN 1.454 nan 8.290 nan 0.000 0.471 418 G N 1.450 110.190 108.800 -0.100 0.000 2.453 418 G HA2 -0.013 3.947 3.960 0.000 0.000 0.215 418 G HA3 -0.013 3.947 3.960 0.000 0.000 0.215 418 G C 1.485 176.300 174.900 -0.142 0.000 1.201 418 G CA 2.105 47.150 45.100 -0.092 0.000 0.784 418 G HN 0.595 nan 8.290 nan 0.000 0.545 419 E N 0.699 120.840 120.200 -0.099 0.000 2.110 419 E HA -0.105 4.245 4.350 0.000 0.000 0.193 419 E C 2.195 178.694 176.600 -0.169 0.000 0.988 419 E CA 0.755 57.107 56.400 -0.080 0.000 0.804 419 E CB -0.831 28.835 29.700 -0.055 0.000 0.745 419 E HN 0.371 nan 8.360 nan 0.000 0.458 420 L N 0.889 121.977 121.223 -0.225 0.000 2.261 420 L HA -0.131 4.209 4.340 0.000 0.000 0.216 420 L C 1.632 178.382 176.870 -0.199 0.000 1.114 420 L CA 1.751 56.454 54.840 -0.228 0.000 0.777 420 L CB -0.233 41.686 42.059 -0.233 0.000 0.910 420 L HN -0.020 nan 8.230 nan 0.000 0.440 421 E N -0.252 119.784 120.200 -0.274 0.000 2.051 421 E HA -0.130 4.220 4.350 0.000 0.000 0.189 421 E C 1.846 178.380 176.600 -0.110 0.000 0.979 421 E CA 1.121 57.322 56.400 -0.331 0.000 0.803 421 E CB -0.308 28.885 29.700 -0.845 0.000 0.761 421 E HN 0.558 nan 8.360 nan 0.000 0.451 422 D N 0.785 121.178 120.400 -0.012 0.000 2.123 422 D HA -0.118 4.522 4.640 0.000 0.000 0.196 422 D C 2.166 178.541 176.300 0.125 0.000 0.992 422 D CA 0.773 54.864 54.000 0.152 0.000 0.833 422 D CB -0.233 40.752 40.800 0.309 0.000 0.954 422 D HN -0.009 nan 8.370 nan 0.000 0.455 423 V N 1.096 121.045 119.914 0.058 0.000 2.255 423 V HA -0.242 3.878 4.120 0.000 0.000 0.247 423 V C 2.516 178.676 176.094 0.110 0.000 1.051 423 V CA 1.935 64.278 62.300 0.071 0.000 1.018 423 V CB -0.676 31.116 31.823 -0.052 0.000 0.641 423 V HN 0.144 nan 8.190 nan 0.000 0.445 424 S N 0.257 115.976 115.700 0.032 0.000 2.419 424 S HA -0.085 4.385 4.470 0.000 0.000 0.233 424 S C 2.004 176.617 174.600 0.021 0.000 1.016 424 S CA 1.170 59.361 58.200 -0.016 0.000 0.974 424 S CB -0.424 62.721 63.200 -0.092 0.000 0.786 424 S HN 0.649 nan 8.310 nan 0.000 0.492 425 A N 0.638 123.491 122.820 0.055 0.000 2.209 425 A HA 0.434 4.754 4.320 0.000 0.000 0.212 425 A C 1.999 179.669 177.584 0.143 0.000 1.158 425 A CA 1.085 53.178 52.037 0.095 0.000 0.742 425 A CB -0.453 18.612 19.000 0.109 0.000 0.790 425 A HN 0.481 nan 8.150 nan 0.000 0.472 426 A N -0.537 122.380 122.820 0.162 0.000 1.942 426 A HA 0.486 4.806 4.320 0.000 0.000 0.209 426 A C 2.347 180.122 177.584 0.318 0.000 1.214 426 A CA 1.188 53.366 52.037 0.236 0.000 0.686 426 A CB -0.859 18.265 19.000 0.208 0.000 0.871 426 A HN 0.785 nan 8.150 nan 0.000 0.460 427 A N 0.644 123.591 122.820 0.211 0.000 1.837 427 A HA -0.204 4.116 4.320 0.000 0.000 0.216 427 A C 2.110 179.746 177.584 0.088 0.000 1.210 427 A CA 2.153 54.270 52.037 0.134 0.000 0.632 427 A CB -0.710 18.214 19.000 -0.127 0.000 0.843 427 A HN 0.413 nan 8.150 nan 0.000 0.448 428 R N -1.586 118.935 120.500 0.035 0.000 2.168 428 R HA -0.273 4.067 4.340 0.000 0.000 0.242 428 R C 1.760 178.110 176.300 0.083 0.000 1.123 428 R CA 2.418 58.538 56.100 0.033 0.000 0.928 428 R CB -1.100 29.227 30.300 0.045 0.000 0.873 428 R HN 0.806 nan 8.270 nan 0.000 0.434 429 W N 0.750 122.056 121.300 0.010 0.000 2.278 429 W HA -0.385 4.275 4.660 -0.000 0.000 0.336 429 W C 2.217 178.749 176.519 0.020 0.000 1.322 429 W CA 2.771 60.127 57.345 0.019 0.000 1.217 429 W CB -1.184 28.294 29.460 0.029 0.000 1.140 429 W HN 0.230 nan 8.180 nan 0.000 0.465 430 A N 0.625 123.236 122.820 -0.348 0.000 2.067 430 A HA -0.291 4.029 4.320 0.000 0.000 0.224 430 A C 2.059 179.382 177.584 -0.435 0.000 1.172 430 A CA 2.283 53.907 52.037 -0.688 0.000 0.662 430 A CB -0.715 18.223 19.000 -0.104 0.000 0.814 430 A HN 0.452 nan 8.150 nan 0.000 0.468 431 R N -0.576 119.781 120.500 -0.238 0.000 2.046 431 R HA -0.001 4.339 4.340 0.000 0.000 0.223 431 R C 1.557 177.744 176.300 -0.189 0.000 1.179 431 R CA 1.433 57.435 56.100 -0.164 0.000 0.952 431 R CB -0.951 29.292 30.300 -0.094 0.000 0.843 431 R HN 0.705 nan 8.270 nan 0.000 0.439 432 E N 1.192 121.300 120.200 -0.153 0.000 2.505 432 E HA -0.051 4.299 4.350 0.000 0.000 0.197 432 E C 0.976 177.480 176.600 -0.161 0.000 1.111 432 E CA 0.684 57.016 56.400 -0.114 0.000 0.887 432 E CB 0.088 29.764 29.700 -0.039 0.000 0.913 432 E HN 0.310 nan 8.360 nan 0.000 0.517 433 S N -1.933 113.564 115.700 -0.339 0.000 2.578 433 S HA 0.307 4.777 4.470 0.000 0.000 0.228 433 S C 1.539 175.958 174.600 -0.302 0.000 1.022 433 S CA 0.053 58.036 58.200 -0.362 0.000 0.967 433 S CB 0.862 63.590 63.200 -0.786 0.000 0.914 433 S HN 0.294 nan 8.310 nan 0.000 0.515 434 G N 1.296 109.926 108.800 -0.283 0.000 2.175 434 G HA2 -0.251 3.709 3.960 0.000 0.000 0.244 434 G HA3 -0.251 3.709 3.960 0.000 0.000 0.244 434 G C 0.485 175.256 174.900 -0.216 0.000 0.982 434 G CA 0.346 45.328 45.100 -0.196 0.000 0.641 434 G HN 0.661 nan 8.290 nan 0.000 0.527 435 L N 0.860 121.875 121.223 -0.347 0.000 2.270 435 L HA 0.771 5.111 4.340 0.000 0.000 0.210 435 L C 1.618 178.388 176.870 -0.166 0.000 1.104 435 L CA 1.957 56.599 54.840 -0.331 0.000 0.804 435 L CB -0.151 41.618 42.059 -0.485 0.000 0.937 435 L HN 0.835 nan 8.230 nan 0.000 0.450 436 A N -1.300 121.431 122.820 -0.148 0.000 2.292 436 A HA 0.555 4.875 4.320 0.000 0.000 0.319 436 A C 0.908 178.483 177.584 -0.015 0.000 1.206 436 A CA 0.168 52.191 52.037 -0.025 0.000 0.835 436 A CB 0.711 19.689 19.000 -0.037 0.000 1.164 436 A HN 0.421 nan 8.150 nan 0.000 0.505 437 S N 1.370 117.089 115.700 0.033 0.000 2.591 437 S HA 0.179 4.649 4.470 0.000 0.000 0.235 437 S C 0.401 175.005 174.600 0.008 0.000 1.074 437 S CA 0.502 58.709 58.200 0.012 0.000 0.925 437 S CB -0.244 62.970 63.200 0.023 0.000 0.818 437 S HN 0.867 nan 8.310 nan 0.000 0.535 438 E N 0.641 120.866 120.200 0.041 0.000 2.314 438 E HA 0.651 5.001 4.350 0.000 0.000 0.272 438 E C -1.563 175.050 176.600 0.021 0.000 0.884 438 E CA -0.986 55.413 56.400 -0.002 0.000 0.753 438 E CB 1.671 31.392 29.700 0.035 0.000 1.213 438 E HN 0.280 nan 8.360 nan 0.000 0.432 439 L N 2.695 123.861 121.223 -0.095 0.000 2.346 439 L HA 0.579 4.919 4.340 0.000 0.000 0.274 439 L C -1.188 175.610 176.870 -0.120 0.000 1.007 439 L CA -0.985 53.895 54.840 0.065 0.000 0.818 439 L CB 1.155 43.334 42.059 0.201 0.000 1.284 439 L HN 0.642 nan 8.230 nan 0.000 0.424 440 Y N 2.140 122.608 120.300 0.280 0.000 2.576 440 Y HA 0.591 5.141 4.550 0.000 0.000 0.346 440 Y C -0.378 175.342 175.900 -0.300 0.000 1.018 440 Y CA -0.655 57.465 58.100 0.033 0.000 1.050 440 Y CB 2.518 40.974 38.460 -0.007 0.000 1.280 440 Y HN 0.365 nan 8.280 nan 0.000 0.474 441 I N 3.142 123.397 120.570 -0.525 0.000 2.693 441 I HA 0.709 4.879 4.170 0.000 0.000 0.303 441 I C -1.320 174.647 176.117 -0.250 0.000 1.025 441 I CA -0.965 59.945 61.300 -0.650 0.000 1.086 441 I CB 1.754 38.986 38.000 -1.281 0.000 1.268 441 I HN 0.832 nan 8.210 nan 0.000 0.440 442 M N 5.823 125.337 119.600 -0.143 0.000 2.426 442 M HA 0.620 5.100 4.480 0.000 0.000 0.289 442 M C -1.787 174.514 176.300 0.002 0.000 1.168 442 M CA -0.300 54.971 55.300 -0.048 0.000 0.933 442 M CB 2.207 34.812 32.600 0.009 0.000 1.750 442 M HN 0.752 nan 8.290 nan 0.000 0.494 443 G N 2.033 110.847 108.800 0.025 0.000 2.616 443 G HA2 0.478 4.438 3.960 0.000 0.000 0.294 443 G HA3 0.478 4.438 3.960 0.000 0.000 0.294 443 G C -2.956 172.002 174.900 0.096 0.000 1.489 443 G CA -0.492 44.642 45.100 0.057 0.000 0.836 443 G HN 0.704 nan 8.290 nan 0.000 0.527 444 Y N 1.231 121.502 120.300 -0.048 0.000 2.453 444 Y HA 0.630 5.180 4.550 0.000 0.000 0.326 444 Y C 1.359 177.310 175.900 0.086 0.000 1.186 444 Y CA 1.200 59.279 58.100 -0.035 0.000 1.200 444 Y CB 2.022 40.373 38.460 -0.182 0.000 1.247 444 Y HN 1.222 nan 8.280 nan 0.000 0.482 445 S N 1.579 117.300 115.700 0.036 0.000 4.112 445 S HA -0.433 4.037 4.470 0.000 0.000 0.602 445 S C 0.958 175.679 174.600 0.201 0.000 1.939 445 S CA 1.725 60.087 58.200 0.270 0.000 4.230 445 S CB -1.682 61.828 63.200 0.516 0.000 0.245 445 S HN 0.911 nan 8.310 nan 0.000 0.530 446 Y N 2.695 123.116 120.300 0.200 0.000 2.556 446 Y HA 0.082 4.632 4.550 0.000 0.000 0.290 446 Y C 2.028 178.042 175.900 0.191 0.000 1.149 446 Y CA 1.897 60.144 58.100 0.245 0.000 1.329 446 Y CB -0.867 37.754 38.460 0.267 0.000 0.975 446 Y HN 0.468 nan 8.280 nan 0.000 0.561 447 G N -0.932 107.968 108.800 0.167 0.000 2.396 447 G HA2 -0.166 3.794 3.960 0.000 0.000 0.214 447 G HA3 -0.166 3.794 3.960 0.000 0.000 0.214 447 G C 1.939 176.809 174.900 -0.050 0.000 1.166 447 G CA 0.546 45.681 45.100 0.058 0.000 0.793 447 G HN 0.514 nan 8.290 nan 0.000 0.533 448 G N -0.082 108.685 108.800 -0.055 0.000 2.422 448 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 448 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 448 G C 1.609 176.425 174.900 -0.141 0.000 1.146 448 G CA 1.148 46.172 45.100 -0.125 0.000 0.769 448 G HN 0.381 nan 8.290 nan 0.000 0.547 449 Y N 0.841 120.961 120.300 -0.301 0.000 2.081 449 Y HA -0.152 4.398 4.550 0.000 0.000 0.280 449 Y C 2.694 178.385 175.900 -0.349 0.000 1.163 449 Y CA 2.124 59.999 58.100 -0.374 0.000 1.135 449 Y CB -0.390 37.759 38.460 -0.518 0.000 0.970 449 Y HN 0.199 nan 8.280 nan 0.000 0.498 450 M N -0.261 119.032 119.600 -0.512 0.000 2.279 450 M HA -0.171 4.309 4.480 0.000 0.000 0.264 450 M C 2.011 178.092 176.300 -0.365 0.000 1.062 450 M CA 1.932 56.906 55.300 -0.543 0.000 1.099 450 M CB -0.602 31.727 32.600 -0.452 0.000 1.394 450 M HN 0.245 nan 8.290 nan 0.000 0.426 451 T N -0.020 114.368 114.554 -0.277 0.000 2.777 451 T HA -0.056 4.294 4.350 0.000 0.000 0.266 451 T C 1.737 176.320 174.700 -0.195 0.000 1.040 451 T CA 1.187 63.157 62.100 -0.218 0.000 1.141 451 T CB -0.169 68.595 68.868 -0.174 0.000 0.868 451 T HN 0.327 nan 8.240 nan 0.000 0.444 452 L N 0.432 121.522 121.223 -0.221 0.000 2.072 452 L HA -0.048 4.292 4.340 0.000 0.000 0.205 452 L C 3.001 179.734 176.870 -0.229 0.000 1.079 452 L CA 0.842 55.571 54.840 -0.186 0.000 0.752 452 L CB -0.572 41.387 42.059 -0.167 0.000 0.906 452 L HN 0.446 nan 8.230 nan 0.000 0.436 453 c N 0.410 118.773 118.600 -0.395 0.000 2.413 453 c HA -0.216 4.354 4.570 0.000 0.000 0.277 453 c C 3.090 177.012 174.090 -0.280 0.000 1.228 453 c CA 1.084 57.143 56.329 -0.449 0.000 1.731 453 c CB -0.764 41.270 42.510 -0.793 0.000 2.042 453 c HN 0.548 nan 8.230 nan 0.000 0.468 454 A N 0.086 122.771 122.820 -0.225 0.000 1.902 454 A HA -0.024 4.296 4.320 0.000 0.000 0.217 454 A C 2.263 179.850 177.584 0.005 0.000 1.181 454 A CA 1.830 53.824 52.037 -0.071 0.000 0.623 454 A CB -0.732 18.293 19.000 0.041 0.000 0.818 454 A HN 0.710 nan 8.150 nan 0.000 0.443 455 L N -0.155 121.062 121.223 -0.010 0.000 2.313 455 L HA -0.103 4.237 4.340 0.000 0.000 0.214 455 L C 2.791 179.655 176.870 -0.009 0.000 1.119 455 L CA 1.471 56.329 54.840 0.029 0.000 0.809 455 L CB -0.378 41.695 42.059 0.022 0.000 0.933 455 L HN 0.664 nan 8.230 nan 0.000 0.449 456 T N -3.257 111.263 114.554 -0.057 0.000 2.781 456 T HA -0.064 4.286 4.350 0.000 0.000 0.252 456 T C 1.708 176.360 174.700 -0.079 0.000 1.039 456 T CA 0.506 62.572 62.100 -0.055 0.000 1.147 456 T CB -0.099 68.718 68.868 -0.085 0.000 0.865 456 T HN -0.015 nan 8.240 nan 0.000 0.423 457 M N 0.467 119.982 119.600 -0.142 0.000 2.506 457 M HA 0.339 4.819 4.480 0.000 0.000 0.260 457 M C 0.686 176.930 176.300 -0.092 0.000 1.104 457 M CA 0.885 56.102 55.300 -0.138 0.000 1.112 457 M CB -0.890 31.594 32.600 -0.194 0.000 1.401 457 M HN 0.106 nan 8.290 nan 0.000 0.473 458 K N 0.663 121.017 120.400 -0.075 0.000 3.135 458 K HA 0.256 4.576 4.320 0.000 0.000 0.210 458 K C -2.400 174.172 176.600 -0.048 0.000 1.176 458 K CA -1.904 54.342 56.287 -0.069 0.000 1.064 458 K CB 0.043 32.493 32.500 -0.084 0.000 1.009 458 K HN 0.048 nan 8.250 nan 0.000 0.472 459 P HA -0.044 nan 4.420 nan 0.000 0.261 459 P C 0.719 178.004 177.300 -0.024 0.000 1.173 459 P CA 1.279 64.374 63.100 -0.009 0.000 0.760 459 P CB 1.010 32.707 31.700 -0.005 0.000 0.783 460 G N 2.415 111.208 108.800 -0.012 0.000 2.299 460 G HA2 -0.350 3.610 3.960 0.000 0.000 0.237 460 G HA3 -0.350 3.610 3.960 0.000 0.000 0.237 460 G C 0.703 175.550 174.900 -0.088 0.000 1.027 460 G CA 0.258 45.338 45.100 -0.033 0.000 0.619 460 G HN 0.552 nan 8.290 nan 0.000 0.513 461 L N 0.346 121.482 121.223 -0.145 0.000 1.991 461 L HA 0.206 4.546 4.340 0.000 0.000 0.221 461 L C 1.452 178.014 176.870 -0.512 0.000 1.079 461 L CA 2.150 56.772 54.840 -0.364 0.000 0.778 461 L CB -0.638 41.148 42.059 -0.455 0.000 0.893 461 L HN 0.367 nan 8.230 nan 0.000 0.437 462 F N -1.677 118.243 119.950 -0.051 0.000 2.525 462 F HA 0.301 4.828 4.527 0.000 0.000 0.346 462 F C 1.611 177.352 175.800 -0.098 0.000 1.072 462 F CA -0.404 57.545 58.000 -0.084 0.000 1.033 462 F CB 0.534 39.501 39.000 -0.054 0.000 1.324 462 F HN -0.265 nan 8.300 nan 0.000 0.491 463 K N 0.125 120.547 120.400 0.038 0.000 2.276 463 K HA 0.533 4.853 4.320 0.000 0.000 0.198 463 K C -0.141 176.517 176.600 0.096 0.000 1.052 463 K CA 0.761 57.022 56.287 -0.044 0.000 0.984 463 K CB 0.399 32.743 32.500 -0.260 0.000 0.836 463 K HN 0.692 nan 8.250 nan 0.000 0.490 464 A N -0.516 122.413 122.820 0.181 0.000 2.536 464 A HA 0.664 4.984 4.320 0.000 0.000 0.293 464 A C -1.244 176.558 177.584 0.363 0.000 1.119 464 A CA -0.389 51.874 52.037 0.376 0.000 0.654 464 A CB 1.315 20.613 19.000 0.497 0.000 1.291 464 A HN 0.193 nan 8.150 nan 0.000 0.439 465 G N -1.055 107.978 108.800 0.389 0.000 2.755 465 G HA2 0.617 4.577 3.960 0.000 0.000 0.297 465 G HA3 0.617 4.577 3.960 0.000 0.000 0.297 465 G C -1.838 173.089 174.900 0.045 0.000 1.441 465 G CA -0.275 44.910 45.100 0.143 0.000 0.964 465 G HN 1.179 nan 8.290 nan 0.000 0.540 466 V N 0.601 120.499 119.914 -0.027 0.000 2.483 466 V HA 0.810 4.930 4.120 0.000 0.000 0.295 466 V C 0.301 176.326 176.094 -0.116 0.000 1.035 466 V CA -0.232 61.986 62.300 -0.138 0.000 0.896 466 V CB 1.655 33.445 31.823 -0.056 0.000 0.986 466 V HN 1.419 nan 8.190 nan 0.000 0.447 467 A N 3.669 126.407 122.820 -0.137 0.000 2.605 467 A HA 0.773 5.093 4.320 0.000 0.000 0.293 467 A C -0.016 177.482 177.584 -0.145 0.000 1.216 467 A CA -0.079 51.880 52.037 -0.131 0.000 0.742 467 A CB 0.911 19.822 19.000 -0.149 0.000 1.170 467 A HN 1.010 nan 8.150 nan 0.000 0.443 468 G N 0.552 109.277 108.800 -0.125 0.000 2.388 468 G HA2 0.654 4.614 3.960 0.000 0.000 0.330 468 G HA3 0.654 4.614 3.960 0.000 0.000 0.330 468 G C 0.784 175.348 174.900 -0.561 0.000 1.142 468 G CA 0.031 45.000 45.100 -0.218 0.000 0.908 468 G HN 2.282 nan 8.290 nan 0.000 0.473 469 A N 0.761 123.155 122.820 -0.711 0.000 2.799 469 A HA -0.133 4.187 4.320 0.000 0.000 0.287 469 A C 1.457 178.774 177.584 -0.446 0.000 1.484 469 A CA 1.223 52.849 52.037 -0.685 0.000 0.813 469 A CB -2.297 16.110 19.000 -0.988 0.000 1.009 469 A HN 2.278 nan 8.150 nan 0.000 0.545 470 S N -1.692 113.727 115.700 -0.467 0.000 2.617 470 S HA 0.516 4.986 4.470 0.000 0.000 0.255 470 S C 0.235 174.663 174.600 -0.287 0.000 1.318 470 S CA 0.031 58.057 58.200 -0.290 0.000 0.978 470 S CB 1.364 64.410 63.200 -0.256 0.000 0.961 470 S HN 1.292 nan 8.310 nan 0.000 0.582 471 V N 1.885 121.652 119.914 -0.246 0.000 2.325 471 V HA 0.213 4.333 4.120 0.000 0.000 0.280 471 V C 0.837 176.699 176.094 -0.387 0.000 1.016 471 V CA -0.663 61.374 62.300 -0.438 0.000 0.818 471 V CB 0.902 32.211 31.823 -0.856 0.000 1.019 471 V HN 0.854 nan 8.190 nan 0.000 0.434 472 V N 2.315 122.034 119.914 -0.325 0.000 2.221 472 V HA -0.043 4.077 4.120 0.000 0.000 0.240 472 V C 0.941 176.865 176.094 -0.283 0.000 1.041 472 V CA 1.694 63.855 62.300 -0.231 0.000 0.991 472 V CB -0.011 31.714 31.823 -0.164 0.000 0.634 472 V HN 0.893 nan 8.190 nan 0.000 0.450 473 D N -2.678 117.541 120.400 -0.302 0.000 2.269 473 D HA 0.143 4.783 4.640 0.000 0.000 0.244 473 D C -0.202 175.890 176.300 -0.347 0.000 0.992 473 D CA -0.574 53.280 54.000 -0.244 0.000 0.894 473 D CB 1.996 42.743 40.800 -0.089 0.000 1.248 473 D HN 0.226 nan 8.370 nan 0.000 0.468 474 W N 1.010 122.325 121.300 0.025 0.000 2.704 474 W HA 0.015 4.675 4.660 -0.000 0.000 0.266 474 W C 2.061 178.622 176.519 0.070 0.000 1.266 474 W CA -0.244 57.112 57.345 0.018 0.000 1.377 474 W CB 0.478 29.926 29.460 -0.019 0.000 1.082 474 W HN 0.474 nan 8.180 nan 0.000 0.608 475 E N 1.302 121.646 120.200 0.240 0.000 2.016 475 E HA -0.225 4.125 4.350 0.000 0.000 0.190 475 E C 1.853 178.565 176.600 0.187 0.000 0.985 475 E CA 1.732 58.236 56.400 0.172 0.000 0.802 475 E CB -0.410 29.344 29.700 0.089 0.000 0.762 475 E HN 0.272 nan 8.360 nan 0.000 0.448 476 E N -0.483 119.783 120.200 0.109 0.000 2.204 476 E HA -0.166 4.184 4.350 0.000 0.000 0.194 476 E C 2.094 178.746 176.600 0.088 0.000 0.989 476 E CA 0.944 57.393 56.400 0.082 0.000 0.824 476 E CB -0.140 29.578 29.700 0.029 0.000 0.756 476 E HN 0.359 nan 8.360 nan 0.000 0.477 477 M N -0.331 119.326 119.600 0.093 0.000 2.077 477 M HA -0.199 4.281 4.480 0.000 0.000 0.261 477 M C 2.057 178.449 176.300 0.154 0.000 1.070 477 M CA 1.503 56.852 55.300 0.083 0.000 1.125 477 M CB -0.285 32.357 32.600 0.070 0.000 1.339 477 M HN 0.208 nan 8.290 nan 0.000 0.409 478 Y N 1.654 122.036 120.300 0.136 0.000 2.040 478 Y HA -0.360 4.190 4.550 0.000 0.000 0.275 478 Y C 1.983 177.940 175.900 0.095 0.000 1.171 478 Y CA 2.697 60.883 58.100 0.143 0.000 1.123 478 Y CB -0.473 38.067 38.460 0.133 0.000 0.963 478 Y HN 0.406 nan 8.280 nan 0.000 0.493 479 E N 0.057 120.425 120.200 0.281 0.000 2.147 479 E HA -0.229 4.121 4.350 0.000 0.000 0.199 479 E C 0.970 177.601 176.600 0.051 0.000 1.005 479 E CA 1.592 58.093 56.400 0.169 0.000 0.810 479 E CB -0.440 29.337 29.700 0.129 0.000 0.736 479 E HN 0.513 nan 8.360 nan 0.000 0.460 480 L N 0.787 122.027 121.223 0.029 0.000 3.073 480 L HA 0.289 4.629 4.340 0.000 0.000 0.242 480 L C -0.035 176.809 176.870 -0.044 0.000 1.317 480 L CA -0.446 54.387 54.840 -0.011 0.000 1.081 480 L CB 0.382 42.435 42.059 -0.010 0.000 1.456 480 L HN -0.133 nan 8.230 nan 0.000 0.525 481 S N -0.671 114.989 115.700 -0.067 0.000 2.648 481 S HA 0.478 4.948 4.470 0.000 0.000 0.305 481 S C -0.358 174.216 174.600 -0.043 0.000 1.094 481 S CA -0.838 57.333 58.200 -0.049 0.000 0.983 481 S CB 1.974 65.161 63.200 -0.022 0.000 1.101 481 S HN 0.253 nan 8.310 nan 0.000 0.514 482 D N 0.821 121.243 120.400 0.037 0.000 2.511 482 D HA 0.402 5.042 4.640 0.000 0.000 0.276 482 D C 1.226 177.504 176.300 -0.037 0.000 1.220 482 D CA -0.524 53.479 54.000 0.005 0.000 1.077 482 D CB 0.261 41.082 40.800 0.035 0.000 1.126 482 D HN 0.483 nan 8.370 nan 0.000 0.583 483 A N -0.005 122.771 122.820 -0.073 0.000 1.933 483 A HA -0.034 4.286 4.320 0.000 0.000 0.218 483 A C 2.074 179.561 177.584 -0.162 0.000 1.175 483 A CA 2.337 54.312 52.037 -0.102 0.000 0.628 483 A CB -1.023 17.916 19.000 -0.101 0.000 0.814 483 A HN 0.575 nan 8.150 nan 0.000 0.444 484 A N -0.823 121.795 122.820 -0.337 0.000 1.865 484 A HA -0.075 4.245 4.320 0.000 0.000 0.217 484 A C 1.963 179.232 177.584 -0.526 0.000 1.191 484 A CA 1.715 53.239 52.037 -0.855 0.000 0.623 484 A CB -0.835 17.136 19.000 -1.715 0.000 0.826 484 A HN 0.492 nan 8.150 nan 0.000 0.444 485 F N -0.423 119.460 119.950 -0.113 0.000 2.259 485 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 485 F C 2.577 178.515 175.800 0.230 0.000 1.088 485 F CA 1.146 59.348 58.000 0.336 0.000 1.358 485 F CB -0.183 38.995 39.000 0.296 0.000 1.040 485 F HN 0.092 nan 8.300 nan 0.000 0.505 486 R N 0.173 120.723 120.500 0.083 0.000 2.070 486 R HA -0.185 4.155 4.340 0.000 0.000 0.233 486 R C 2.032 178.438 176.300 0.178 0.000 1.137 486 R CA 1.498 57.442 56.100 -0.261 0.000 0.945 486 R CB -0.866 29.108 30.300 -0.543 0.000 0.845 486 R HN 0.234 nan 8.270 nan 0.000 0.430 487 N N 0.813 119.607 118.700 0.157 0.000 2.519 487 N HA -0.174 4.566 4.740 0.000 0.000 0.186 487 N C 1.295 176.997 175.510 0.319 0.000 1.062 487 N CA 0.797 53.974 53.050 0.212 0.000 0.910 487 N CB 0.050 38.619 38.487 0.138 0.000 0.958 487 N HN 0.161 nan 8.380 nan 0.000 0.445 488 F N 0.707 120.800 119.950 0.239 0.000 2.473 488 F HA 0.194 4.721 4.527 0.000 0.000 0.294 488 F C 1.731 177.643 175.800 0.188 0.000 1.103 488 F CA 0.242 58.398 58.000 0.260 0.000 1.442 488 F CB -0.055 39.169 39.000 0.374 0.000 1.097 488 F HN -0.110 nan 8.300 nan 0.000 0.547 489 I N 0.813 121.344 120.570 -0.064 0.000 2.480 489 I HA -0.094 4.076 4.170 0.000 0.000 0.251 489 I C 1.998 178.042 176.117 -0.122 0.000 1.124 489 I CA 0.871 62.038 61.300 -0.222 0.000 1.444 489 I CB -1.405 36.712 38.000 0.195 0.000 1.098 489 I HN 0.219 nan 8.210 nan 0.000 0.428 490 E N 0.864 121.109 120.200 0.075 0.000 2.077 490 E HA -0.224 4.126 4.350 0.000 0.000 0.193 490 E C 2.108 178.705 176.600 -0.005 0.000 0.989 490 E CA 0.991 57.415 56.400 0.040 0.000 0.800 490 E CB -0.192 29.579 29.700 0.118 0.000 0.746 490 E HN 0.558 nan 8.360 nan 0.000 0.452 491 Q N 0.259 120.077 119.800 0.030 0.000 2.079 491 Q HA -0.131 4.209 4.340 0.000 0.000 0.200 491 Q C 2.245 178.234 176.000 -0.018 0.000 0.974 491 Q CA 0.876 56.714 55.803 0.059 0.000 0.840 491 Q CB -0.072 28.773 28.738 0.179 0.000 0.898 491 Q HN 0.190 nan 8.270 nan 0.000 0.430 492 L N 0.556 121.664 121.223 -0.193 0.000 2.313 492 L HA -0.048 4.292 4.340 0.000 0.000 0.214 492 L C 1.802 178.511 176.870 -0.267 0.000 1.119 492 L CA 1.626 56.310 54.840 -0.260 0.000 0.809 492 L CB -0.004 41.721 42.059 -0.557 0.000 0.933 492 L HN 0.195 nan 8.230 nan 0.000 0.449 493 T N -3.854 110.537 114.554 -0.271 0.000 3.248 493 T HA 0.321 4.671 4.350 0.000 0.000 0.271 493 T C 1.146 175.782 174.700 -0.106 0.000 1.005 493 T CA -0.026 61.945 62.100 -0.215 0.000 0.902 493 T CB -0.543 68.160 68.868 -0.275 0.000 1.102 493 T HN 0.391 nan 8.240 nan 0.000 0.548 494 G N 0.881 109.645 108.800 -0.060 0.000 2.451 494 G HA2 0.049 4.009 3.960 0.000 0.000 0.296 494 G HA3 0.049 4.009 3.960 0.000 0.000 0.296 494 G C 1.284 176.172 174.900 -0.019 0.000 0.922 494 G CA 0.592 45.683 45.100 -0.015 0.000 1.074 494 G HN 1.621 nan 8.290 nan 0.000 0.509 495 G N -0.271 108.511 108.800 -0.029 0.000 5.059 495 G HA2 -0.183 3.777 3.960 0.000 0.000 0.336 495 G HA3 -0.183 3.777 3.960 0.000 0.000 0.336 495 G C 1.196 176.061 174.900 -0.059 0.000 1.364 495 G CA 1.756 46.836 45.100 -0.034 0.000 1.020 495 G HN 2.376 nan 8.290 nan 0.000 0.807 496 S N 0.983 116.659 115.700 -0.040 0.000 4.002 496 S HA -0.163 4.307 4.470 0.000 0.000 0.478 496 S C 1.605 176.174 174.600 -0.052 0.000 1.092 496 S CA 1.550 59.727 58.200 -0.038 0.000 0.838 496 S CB 0.206 63.391 63.200 -0.025 0.000 0.749 496 S HN 1.110 nan 8.310 nan 0.000 0.453 497 R N 3.992 124.465 120.500 -0.045 0.000 2.051 497 R HA -0.037 4.303 4.340 0.000 0.000 0.225 497 R C 2.169 178.461 176.300 -0.013 0.000 1.155 497 R CA 1.554 57.629 56.100 -0.043 0.000 0.945 497 R CB -0.500 29.775 30.300 -0.042 0.000 0.840 497 R HN 0.898 nan 8.270 nan 0.000 0.432 498 E N 0.487 120.686 120.200 -0.002 0.000 2.245 498 E HA -0.292 4.058 4.350 0.000 0.000 0.217 498 E C 1.924 178.545 176.600 0.036 0.000 1.069 498 E CA 1.884 58.295 56.400 0.018 0.000 0.877 498 E CB -0.320 29.390 29.700 0.016 0.000 0.757 498 E HN 0.417 nan 8.360 nan 0.000 0.464 499 I N 0.583 121.165 120.570 0.020 0.000 2.226 499 I HA -0.248 3.922 4.170 0.000 0.000 0.245 499 I C 2.522 178.677 176.117 0.064 0.000 1.100 499 I CA 1.307 62.625 61.300 0.030 0.000 1.374 499 I CB -0.977 37.013 38.000 -0.016 0.000 1.057 499 I HN 0.222 nan 8.210 nan 0.000 0.413 500 M N -0.144 119.476 119.600 0.033 0.000 2.108 500 M HA -0.268 4.212 4.480 0.000 0.000 0.257 500 M C 2.450 178.891 176.300 0.236 0.000 1.071 500 M CA 1.872 57.238 55.300 0.110 0.000 1.093 500 M CB -0.484 32.148 32.600 0.053 0.000 1.345 500 M HN 0.187 nan 8.290 nan 0.000 0.403 501 R N -0.956 119.631 120.500 0.144 0.000 2.161 501 R HA -0.047 4.293 4.340 0.000 0.000 0.213 501 R C 2.190 178.590 176.300 0.167 0.000 1.055 501 R CA 1.355 57.532 56.100 0.128 0.000 0.996 501 R CB 0.009 30.345 30.300 0.061 0.000 0.901 501 R HN 0.196 nan 8.270 nan 0.000 0.456 502 S N -0.073 115.743 115.700 0.193 0.000 2.458 502 S HA 0.090 4.560 4.470 0.000 0.000 0.223 502 S C 1.112 175.911 174.600 0.331 0.000 1.019 502 S CA 0.150 58.509 58.200 0.266 0.000 0.937 502 S CB 0.200 63.501 63.200 0.168 0.000 0.788 502 S HN 0.253 nan 8.310 nan 0.000 0.511 503 R N 1.491 122.183 120.500 0.319 0.000 2.515 503 R HA 0.374 4.714 4.340 0.000 0.000 0.294 503 R C -0.335 176.292 176.300 0.546 0.000 1.021 503 R CA -0.030 56.288 56.100 0.362 0.000 1.081 503 R CB -0.412 30.119 30.300 0.385 0.000 1.263 503 R HN 0.126 nan 8.270 nan 0.000 0.557 504 S N 2.495 118.471 115.700 0.460 0.000 2.695 504 S HA 0.243 4.713 4.470 0.000 0.000 0.275 504 S C -1.791 172.967 174.600 0.263 0.000 1.203 504 S CA -1.192 57.167 58.200 0.266 0.000 1.061 504 S CB 1.487 64.790 63.200 0.172 0.000 1.152 504 S HN -0.038 nan 8.310 nan 0.000 0.495 505 P HA -0.151 nan 4.420 nan 0.000 0.222 505 P C 0.989 178.364 177.300 0.125 0.000 1.139 505 P CA 0.622 63.841 63.100 0.198 0.000 0.790 505 P CB 0.052 31.748 31.700 -0.006 0.000 0.757 506 I N -1.512 119.077 120.570 0.033 0.000 3.564 506 I HA -0.002 4.168 4.170 0.000 0.000 0.294 506 I C 0.956 177.021 176.117 -0.087 0.000 1.289 506 I CA 0.877 62.150 61.300 -0.044 0.000 1.325 506 I CB -0.985 36.975 38.000 -0.066 0.000 1.039 506 I HN -0.099 nan 8.210 nan 0.000 0.474 507 N N -1.147 117.458 118.700 -0.157 0.000 2.205 507 N HA 0.105 4.845 4.740 0.000 0.000 0.201 507 N C -0.026 175.033 175.510 -0.751 0.000 1.128 507 N CA 0.177 52.958 53.050 -0.449 0.000 0.867 507 N CB 0.282 38.448 38.487 -0.535 0.000 0.996 507 N HN 0.420 nan 8.380 nan 0.000 0.503 508 H N -1.837 117.218 119.070 -0.026 0.000 3.007 508 H HA 0.176 4.732 4.556 -0.000 0.000 0.251 508 H C 1.237 176.543 175.328 -0.037 0.000 1.188 508 H CA -0.272 55.761 56.048 -0.026 0.000 1.017 508 H CB 0.104 29.853 29.762 -0.022 0.000 1.805 508 H HN -0.101 nan 8.280 nan 0.000 0.659 509 V N 0.626 120.553 119.914 0.021 0.000 2.660 509 V HA -0.267 3.853 4.120 0.000 0.000 0.257 509 V C 1.391 177.484 176.094 -0.001 0.000 1.088 509 V CA 1.955 64.249 62.300 -0.010 0.000 1.106 509 V CB -0.214 31.572 31.823 -0.061 0.000 0.686 509 V HN 0.565 nan 8.190 nan 0.000 0.481 510 D N 0.121 120.524 120.400 0.005 0.000 2.403 510 D HA -0.081 4.559 4.640 0.000 0.000 0.227 510 D C 1.981 178.294 176.300 0.022 0.000 0.995 510 D CA 0.761 54.765 54.000 0.006 0.000 0.928 510 D CB 0.031 40.830 40.800 -0.001 0.000 0.887 510 D HN 0.522 nan 8.370 nan 0.000 0.529 511 R N -0.436 120.085 120.500 0.035 0.000 2.469 511 R HA 0.174 4.514 4.340 0.000 0.000 0.250 511 R C 0.187 176.500 176.300 0.022 0.000 0.909 511 R CA -0.432 55.686 56.100 0.030 0.000 1.050 511 R CB 0.917 31.240 30.300 0.038 0.000 1.256 511 R HN -0.035 nan 8.270 nan 0.000 0.550 512 I N 2.433 123.015 120.570 0.020 0.000 2.576 512 I HA -0.077 4.093 4.170 0.000 0.000 0.288 512 I C 0.812 176.949 176.117 0.033 0.000 1.126 512 I CA 1.054 62.368 61.300 0.023 0.000 1.362 512 I CB 0.465 38.472 38.000 0.012 0.000 1.419 512 I HN -0.102 nan 8.210 nan 0.000 0.533 513 K N 4.616 125.039 120.400 0.039 0.000 2.514 513 K HA 0.274 4.594 4.320 0.000 0.000 0.207 513 K C -0.101 176.536 176.600 0.061 0.000 1.035 513 K CA -0.093 56.220 56.287 0.043 0.000 1.113 513 K CB 0.539 33.057 32.500 0.030 0.000 0.846 513 K HN 0.440 nan 8.250 nan 0.000 0.491 514 E N 0.486 120.734 120.200 0.080 0.000 2.336 514 E HA 0.315 4.665 4.350 0.000 0.000 0.267 514 E C -2.831 173.857 176.600 0.147 0.000 0.906 514 E CA -2.359 54.109 56.400 0.113 0.000 0.781 514 E CB 1.467 31.246 29.700 0.131 0.000 1.261 514 E HN -0.201 nan 8.360 nan 0.000 0.436 515 P HA 0.101 nan 4.420 nan 0.000 0.271 515 P C -1.151 176.339 177.300 0.316 0.000 1.233 515 P CA -0.291 62.968 63.100 0.265 0.000 0.764 515 P CB 0.333 32.211 31.700 0.296 0.000 0.825 516 L N 3.774 125.135 121.223 0.229 0.000 2.334 516 L HA 0.768 5.108 4.340 0.000 0.000 0.276 516 L C -0.708 176.090 176.870 -0.120 0.000 1.014 516 L CA -0.838 54.054 54.840 0.086 0.000 0.815 516 L CB 1.380 43.492 42.059 0.088 0.000 1.268 516 L HN 0.388 nan 8.230 nan 0.000 0.428 517 A N 6.078 128.594 122.820 -0.507 0.000 2.332 517 A HA 0.717 5.037 4.320 0.000 0.000 0.300 517 A C -1.447 175.929 177.584 -0.346 0.000 1.153 517 A CA -0.488 51.099 52.037 -0.749 0.000 0.764 517 A CB 0.553 18.336 19.000 -2.029 0.000 1.174 517 A HN 0.641 nan 8.150 nan 0.000 0.467 518 L N 3.810 124.952 121.223 -0.135 0.000 2.305 518 L HA 0.545 4.885 4.340 0.000 0.000 0.284 518 L C -0.868 176.009 176.870 0.013 0.000 1.013 518 L CA -0.283 54.533 54.840 -0.041 0.000 0.819 518 L CB 1.450 43.549 42.059 0.067 0.000 1.227 518 L HN 0.595 nan 8.230 nan 0.000 0.417 519 I N 3.090 123.667 120.570 0.012 0.000 2.382 519 I HA 0.365 4.535 4.170 0.000 0.000 0.286 519 I C -0.581 175.608 176.117 0.121 0.000 1.002 519 I CA -0.329 61.021 61.300 0.083 0.000 1.135 519 I CB 1.523 39.565 38.000 0.069 0.000 1.288 519 I HN 0.623 nan 8.210 nan 0.000 0.448 520 H N 6.975 126.056 119.070 0.018 0.000 2.877 520 H HA 0.330 4.886 4.556 -0.000 0.000 0.347 520 H C -2.676 172.662 175.328 0.016 0.000 1.042 520 H CA -2.141 53.898 56.048 -0.015 0.000 1.276 520 H CB 2.950 32.692 29.762 -0.032 0.000 1.681 520 H HN 0.246 nan 8.280 nan 0.000 0.521 521 P HA -0.087 nan 4.420 nan 0.000 0.259 521 P C 0.467 177.672 177.300 -0.158 0.000 1.211 521 P CA 0.321 63.442 63.100 0.036 0.000 0.810 521 P CB 0.327 32.106 31.700 0.133 0.000 0.815 522 Q N 3.418 123.152 119.800 -0.110 0.000 2.344 522 Q HA -0.281 4.059 4.340 0.000 0.000 0.212 522 Q C 0.529 176.450 176.000 -0.131 0.000 0.991 522 Q CA 1.893 57.617 55.803 -0.132 0.000 0.897 522 Q CB -0.522 28.180 28.738 -0.059 0.000 0.915 522 Q HN 0.311 nan 8.270 nan 0.000 0.438 523 N N 0.320 118.967 118.700 -0.088 0.000 2.177 523 N HA 0.035 4.775 4.740 0.000 0.000 0.218 523 N C -0.807 174.681 175.510 -0.037 0.000 1.182 523 N CA 0.001 53.018 53.050 -0.055 0.000 0.882 523 N CB 0.297 38.774 38.487 -0.017 0.000 1.052 523 N HN 0.284 nan 8.380 nan 0.000 0.519 524 D N 1.550 121.923 120.400 -0.045 0.000 2.662 524 D HA -0.064 4.576 4.640 0.000 0.000 0.233 524 D C 0.994 177.296 176.300 0.003 0.000 1.129 524 D CA 0.551 54.584 54.000 0.054 0.000 0.851 524 D CB 0.774 41.665 40.800 0.153 0.000 1.152 524 D HN 0.229 nan 8.370 nan 0.000 0.507 525 S N 3.544 119.243 115.700 -0.002 0.000 2.524 525 S HA 0.103 4.573 4.470 0.000 0.000 0.215 525 S C 1.493 175.961 174.600 -0.220 0.000 0.986 525 S CA -0.377 57.776 58.200 -0.079 0.000 0.911 525 S CB 0.486 63.655 63.200 -0.051 0.000 0.805 525 S HN 0.454 nan 8.310 nan 0.000 0.501 526 R N 1.942 122.281 120.500 -0.269 0.000 2.057 526 R HA 0.091 4.431 4.340 0.000 0.000 0.224 526 R C 0.505 176.483 176.300 -0.536 0.000 1.136 526 R CA 1.418 57.103 56.100 -0.692 0.000 0.968 526 R CB -0.609 29.363 30.300 -0.546 0.000 0.863 526 R HN 0.544 nan 8.270 nan 0.000 0.433 527 T N 1.041 115.468 114.554 -0.211 0.000 2.809 527 T HA 0.350 4.700 4.350 0.000 0.000 0.296 527 T C -2.641 172.100 174.700 0.069 0.000 1.015 527 T CA -2.445 59.612 62.100 -0.072 0.000 0.954 527 T CB 2.059 70.900 68.868 -0.044 0.000 0.950 527 T HN -0.087 nan 8.240 nan 0.000 0.450 528 P HA 0.046 nan 4.420 nan 0.000 0.268 528 P C 0.645 178.017 177.300 0.120 0.000 1.204 528 P CA -0.559 62.555 63.100 0.023 0.000 0.768 528 P CB 1.023 32.715 31.700 -0.012 0.000 0.842 529 L N 3.610 124.804 121.223 -0.049 0.000 2.395 529 L HA -0.020 4.320 4.340 0.000 0.000 0.218 529 L C 2.354 179.221 176.870 -0.004 0.000 1.130 529 L CA 1.523 56.290 54.840 -0.122 0.000 0.826 529 L CB -0.957 40.904 42.059 -0.330 0.000 0.941 529 L HN 0.315 nan 8.230 nan 0.000 0.451 530 K N 0.248 120.641 120.400 -0.012 0.000 1.965 530 K HA -0.144 4.176 4.320 0.000 0.000 0.218 530 K C -0.416 176.184 176.600 0.000 0.000 1.048 530 K CA 2.007 58.289 56.287 -0.008 0.000 0.960 530 K CB -1.218 31.275 32.500 -0.011 0.000 0.732 530 K HN 0.163 nan 8.250 nan 0.000 0.444 531 P HA -0.229 nan 4.420 nan 0.000 0.219 531 P C 1.141 178.426 177.300 -0.025 0.000 1.153 531 P CA 1.194 64.280 63.100 -0.023 0.000 0.865 531 P CB 0.003 31.677 31.700 -0.044 0.000 0.788 532 L N -1.631 119.601 121.223 0.015 0.000 2.131 532 L HA -0.133 4.207 4.340 0.000 0.000 0.210 532 L C 2.120 178.998 176.870 0.013 0.000 1.092 532 L CA 1.705 56.563 54.840 0.030 0.000 0.759 532 L CB -1.378 40.787 42.059 0.177 0.000 0.903 532 L HN 0.130 nan 8.230 nan 0.000 0.435 533 L N -1.251 119.980 121.223 0.013 0.000 2.492 533 L HA -0.074 4.266 4.340 0.000 0.000 0.223 533 L C 2.494 179.350 176.870 -0.024 0.000 1.132 533 L CA 0.055 54.899 54.840 0.007 0.000 0.850 533 L CB -0.397 41.667 42.059 0.009 0.000 0.966 533 L HN 0.198 nan 8.230 nan 0.000 0.454 534 R N 1.088 121.565 120.500 -0.038 0.000 2.127 534 R HA -0.057 4.283 4.340 0.000 0.000 0.217 534 R C 1.909 178.156 176.300 -0.088 0.000 1.074 534 R CA 1.007 57.076 56.100 -0.053 0.000 0.991 534 R CB -0.576 29.697 30.300 -0.045 0.000 0.895 534 R HN 0.206 nan 8.270 nan 0.000 0.450 535 L N -0.112 121.046 121.223 -0.109 0.000 2.291 535 L HA 0.114 4.454 4.340 0.000 0.000 0.214 535 L C 1.761 178.463 176.870 -0.281 0.000 1.120 535 L CA 1.500 56.238 54.840 -0.171 0.000 0.799 535 L CB -0.195 41.767 42.059 -0.161 0.000 0.925 535 L HN 0.170 nan 8.230 nan 0.000 0.446 536 M N -1.534 117.932 119.600 -0.224 0.000 2.288 536 M HA 0.020 4.500 4.480 0.000 0.000 0.266 536 M C 2.087 178.281 176.300 -0.177 0.000 1.072 536 M CA 1.223 56.358 55.300 -0.274 0.000 1.132 536 M CB -0.797 31.805 32.600 0.004 0.000 1.386 536 M HN 0.398 nan 8.290 nan 0.000 0.432 537 G N 0.402 109.139 108.800 -0.104 0.000 2.414 537 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 537 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 537 G C 1.412 176.256 174.900 -0.093 0.000 1.188 537 G CA 0.598 45.658 45.100 -0.066 0.000 0.783 537 G HN 0.292 nan 8.290 nan 0.000 0.537 538 E N 0.659 120.787 120.200 -0.120 0.000 2.017 538 E HA -0.066 4.284 4.350 0.000 0.000 0.193 538 E C 2.731 179.242 176.600 -0.149 0.000 0.997 538 E CA 0.400 56.730 56.400 -0.116 0.000 0.804 538 E CB -0.864 28.767 29.700 -0.114 0.000 0.757 538 E HN 0.392 nan 8.360 nan 0.000 0.448 539 L N 0.367 121.434 121.223 -0.260 0.000 2.011 539 L HA -0.289 4.051 4.340 0.000 0.000 0.225 539 L C 2.715 179.479 176.870 -0.177 0.000 1.084 539 L CA 1.448 56.090 54.840 -0.330 0.000 0.791 539 L CB -0.636 40.926 42.059 -0.830 0.000 0.898 539 L HN 0.154 nan 8.230 nan 0.000 0.440 540 L N -0.471 120.665 121.223 -0.145 0.000 1.989 540 L HA -0.211 4.129 4.340 0.000 0.000 0.211 540 L C 2.672 179.542 176.870 0.000 0.000 1.071 540 L CA 2.038 56.890 54.840 0.019 0.000 0.749 540 L CB -0.601 41.497 42.059 0.065 0.000 0.890 540 L HN 0.226 nan 8.230 nan 0.000 0.431 541 A N -0.298 122.505 122.820 -0.029 0.000 1.884 541 A HA -0.295 4.025 4.320 0.000 0.000 0.219 541 A C 2.353 179.927 177.584 -0.017 0.000 1.197 541 A CA 2.349 54.373 52.037 -0.022 0.000 0.637 541 A CB -0.679 18.299 19.000 -0.035 0.000 0.827 541 A HN 0.529 nan 8.150 nan 0.000 0.450 542 R N -1.616 118.866 120.500 -0.030 0.000 2.313 542 R HA 0.251 4.591 4.340 0.000 0.000 0.199 542 R C 1.549 177.847 176.300 -0.003 0.000 0.958 542 R CA 0.637 56.725 56.100 -0.020 0.000 1.047 542 R CB -0.083 30.199 30.300 -0.031 0.000 0.955 542 R HN 0.766 nan 8.270 nan 0.000 0.481 543 G N 0.918 109.722 108.800 0.007 0.000 2.900 543 G HA2 -0.333 3.627 3.960 0.000 0.000 0.223 543 G HA3 -0.333 3.627 3.960 0.000 0.000 0.223 543 G C -0.388 174.545 174.900 0.056 0.000 1.293 543 G CA -0.101 45.019 45.100 0.034 0.000 0.792 543 G HN 0.198 nan 8.290 nan 0.000 0.527 544 K N 3.089 123.511 120.400 0.036 0.000 2.378 544 K HA -0.027 4.293 4.320 0.000 0.000 0.250 544 K C 1.145 177.825 176.600 0.132 0.000 1.125 544 K CA 1.472 57.792 56.287 0.055 0.000 1.192 544 K CB -1.305 31.199 32.500 0.007 0.000 0.751 544 K HN 1.283 nan 8.250 nan 0.000 0.502 545 T N 1.000 115.649 114.554 0.158 0.000 2.946 545 T HA 0.363 4.713 4.350 0.000 0.000 0.311 545 T C 0.208 175.111 174.700 0.338 0.000 1.063 545 T CA -0.481 61.749 62.100 0.218 0.000 1.139 545 T CB -0.113 68.846 68.868 0.151 0.000 0.994 545 T HN 0.533 nan 8.240 nan 0.000 0.547 546 F N -0.380 119.593 119.950 0.038 0.000 2.660 546 F HA 0.485 5.012 4.527 -0.000 0.000 0.320 546 F C -1.153 174.649 175.800 0.003 0.000 1.099 546 F CA -1.149 56.861 58.000 0.017 0.000 1.061 546 F CB 1.069 40.058 39.000 -0.018 0.000 1.300 546 F HN 0.806 nan 8.300 nan 0.000 0.479 547 E N 4.167 124.169 120.200 -0.329 0.000 2.146 547 E HA 0.746 5.096 4.350 0.000 0.000 0.282 547 E C -1.128 175.235 176.600 -0.394 0.000 0.989 547 E CA -0.757 55.405 56.400 -0.396 0.000 0.799 547 E CB 1.623 31.287 29.700 -0.061 0.000 1.088 547 E HN 0.984 nan 8.360 nan 0.000 0.397 548 A N 4.908 127.412 122.820 -0.528 0.000 2.320 548 A HA 0.571 4.891 4.320 0.000 0.000 0.334 548 A C -1.108 176.292 177.584 -0.306 0.000 1.147 548 A CA -0.603 51.289 52.037 -0.242 0.000 0.820 548 A CB 1.082 20.026 19.000 -0.093 0.000 1.218 548 A HN 0.802 nan 8.150 nan 0.000 0.482 549 H N 0.925 119.971 119.070 -0.040 0.000 3.179 549 H HA 0.347 4.903 4.556 0.000 0.000 0.331 549 H C -1.704 173.630 175.328 0.010 0.000 1.013 549 H CA -0.302 55.731 56.048 -0.025 0.000 1.430 549 H CB 1.320 31.061 29.762 -0.035 0.000 1.895 549 H HN 0.491 nan 8.280 nan 0.000 0.468 550 I N 4.158 124.793 120.570 0.107 0.000 2.493 550 I HA 0.290 4.460 4.170 0.000 0.000 0.298 550 I C 0.476 176.629 176.117 0.061 0.000 0.998 550 I CA -0.379 60.962 61.300 0.069 0.000 1.137 550 I CB 1.583 39.590 38.000 0.012 0.000 1.310 550 I HN 0.353 nan 8.210 nan 0.000 0.445 551 I N 6.917 127.515 120.570 0.046 0.000 2.336 551 I HA 0.365 4.535 4.170 0.000 0.000 0.292 551 I C -2.241 173.885 176.117 0.015 0.000 0.991 551 I CA -1.942 59.380 61.300 0.036 0.000 1.227 551 I CB 1.385 39.414 38.000 0.048 0.000 1.366 551 I HN 0.303 nan 8.210 nan 0.000 0.466 552 P HA 0.075 nan 4.420 nan 0.000 0.275 552 P C -0.771 176.533 177.300 0.007 0.000 1.227 552 P CA 0.137 63.239 63.100 0.004 0.000 0.781 552 P CB 0.661 32.364 31.700 0.004 0.000 0.906 553 D N -0.755 119.647 120.400 0.004 0.000 2.689 553 D HA -0.171 4.469 4.640 0.000 0.000 0.237 553 D C -0.045 176.268 176.300 0.023 0.000 1.148 553 D CA 1.328 55.335 54.000 0.011 0.000 0.656 553 D CB -1.791 39.016 40.800 0.012 0.000 1.050 553 D HN 0.570 nan 8.370 nan 0.000 0.426 554 A N 0.112 122.945 122.820 0.022 0.000 2.303 554 A HA 0.755 5.075 4.320 0.000 0.000 0.320 554 A C 0.895 178.514 177.584 0.059 0.000 1.192 554 A CA 0.149 52.214 52.037 0.046 0.000 0.821 554 A CB 1.570 20.600 19.000 0.049 0.000 1.188 554 A HN 0.266 nan 8.150 nan 0.000 0.492 555 G N -0.437 108.419 108.800 0.094 0.000 2.552 555 G HA2 0.413 4.373 3.960 0.000 0.000 0.318 555 G HA3 0.413 4.373 3.960 0.000 0.000 0.318 555 G C 0.435 175.453 174.900 0.197 0.000 1.240 555 G CA -0.158 45.018 45.100 0.128 0.000 1.002 555 G HN 0.927 nan 8.290 nan 0.000 0.493 556 H N -0.542 118.630 119.070 0.170 0.000 2.372 556 H HA 0.354 4.910 4.556 -0.000 0.000 0.301 556 H C 1.823 177.354 175.328 0.338 0.000 1.065 556 H CA 1.343 57.553 56.048 0.269 0.000 1.364 556 H CB -0.051 29.834 29.762 0.206 0.000 1.406 556 H HN 0.585 nan 8.280 nan 0.000 0.521 557 A N 0.132 123.116 122.820 0.274 0.000 2.280 557 A HA 0.416 4.736 4.320 0.000 0.000 0.268 557 A C -0.511 177.133 177.584 0.101 0.000 1.111 557 A CA -0.400 51.743 52.037 0.176 0.000 0.814 557 A CB 0.164 19.278 19.000 0.190 0.000 1.093 557 A HN 0.295 nan 8.150 nan 0.000 0.498 558 I N 1.546 122.173 120.570 0.095 0.000 2.307 558 I HA 0.204 4.374 4.170 0.000 0.000 0.289 558 I C 0.167 176.429 176.117 0.243 0.000 1.021 558 I CA -0.011 61.390 61.300 0.169 0.000 1.224 558 I CB 0.922 39.066 38.000 0.241 0.000 1.376 558 I HN 0.618 nan 8.210 nan 0.000 0.470 559 N N 5.069 123.892 118.700 0.204 0.000 2.644 559 N HA 0.314 5.054 4.740 0.000 0.000 0.313 559 N C -0.985 174.652 175.510 0.213 0.000 1.863 559 N CA -0.394 52.768 53.050 0.186 0.000 0.918 559 N CB 0.850 39.395 38.487 0.097 0.000 1.320 559 N HN 0.576 nan 8.380 nan 0.000 0.490 560 T N -3.402 111.329 114.554 0.295 0.000 2.843 560 T HA 0.099 4.449 4.350 0.000 0.000 0.324 560 T C 0.770 175.473 174.700 0.005 0.000 1.860 560 T CA -0.795 61.389 62.100 0.140 0.000 1.021 560 T CB 0.554 69.465 68.868 0.071 0.000 1.858 560 T HN -0.155 nan 8.240 nan 0.000 0.521 561 M N 0.815 120.375 119.600 -0.067 0.000 2.095 561 M HA 0.122 4.602 4.480 0.000 0.000 0.257 561 M C 1.468 177.710 176.300 -0.097 0.000 1.089 561 M CA 1.597 56.810 55.300 -0.144 0.000 1.138 561 M CB -1.520 31.004 32.600 -0.127 0.000 1.303 561 M HN 0.805 nan 8.290 nan 0.000 0.422 562 E N 0.931 121.092 120.200 -0.064 0.000 2.385 562 E HA -0.086 4.264 4.350 0.000 0.000 0.201 562 E C -0.264 176.308 176.600 -0.046 0.000 1.250 562 E CA 0.064 56.429 56.400 -0.059 0.000 1.104 562 E CB -0.204 29.469 29.700 -0.045 0.000 1.174 562 E HN 0.342 nan 8.360 nan 0.000 0.461 563 D N -1.283 119.093 120.400 -0.039 0.000 2.640 563 D HA 0.119 4.759 4.640 0.000 0.000 0.282 563 D C 0.394 176.688 176.300 -0.011 0.000 1.558 563 D CA 0.059 54.050 54.000 -0.015 0.000 0.820 563 D CB 0.882 41.694 40.800 0.019 0.000 1.243 563 D HN 0.177 nan 8.370 nan 0.000 0.456 564 A N -0.100 122.692 122.820 -0.046 0.000 2.431 564 A HA 0.321 4.641 4.320 0.000 0.000 0.239 564 A C 1.506 179.020 177.584 -0.117 0.000 1.230 564 A CA 0.295 52.309 52.037 -0.039 0.000 0.928 564 A CB 0.637 19.602 19.000 -0.058 0.000 1.006 564 A HN 0.069 nan 8.150 nan 0.000 0.520 565 V N -0.907 118.926 119.914 -0.135 0.000 3.219 565 V HA 0.091 4.211 4.120 0.000 0.000 0.240 565 V C 1.877 177.857 176.094 -0.190 0.000 1.222 565 V CA 1.037 63.220 62.300 -0.195 0.000 1.181 565 V CB -0.091 31.626 31.823 -0.176 0.000 0.941 565 V HN 0.482 nan 8.190 nan 0.000 0.471 566 K N 0.815 121.135 120.400 -0.132 0.000 2.589 566 K HA -0.142 4.178 4.320 0.000 0.000 0.195 566 K C 1.540 178.077 176.600 -0.105 0.000 1.040 566 K CA 1.413 57.626 56.287 -0.123 0.000 0.950 566 K CB -0.031 32.428 32.500 -0.069 0.000 0.781 566 K HN 0.708 nan 8.250 nan 0.000 0.486 567 I N -3.950 116.562 120.570 -0.097 0.000 3.616 567 I HA 0.008 4.178 4.170 0.000 0.000 0.296 567 I C 1.262 177.299 176.117 -0.133 0.000 1.226 567 I CA 0.180 61.464 61.300 -0.027 0.000 1.394 567 I CB -0.088 37.971 38.000 0.098 0.000 1.171 567 I HN -0.102 nan 8.210 nan 0.000 0.442 568 L N 0.219 121.276 121.223 -0.276 0.000 2.202 568 L HA 0.199 4.539 4.340 0.000 0.000 0.205 568 L C 2.250 178.936 176.870 -0.305 0.000 1.083 568 L CA 1.138 55.758 54.840 -0.366 0.000 0.790 568 L CB -1.016 40.740 42.059 -0.505 0.000 0.942 568 L HN 0.301 nan 8.230 nan 0.000 0.452 569 L N 0.894 121.902 121.223 -0.359 0.000 1.990 569 L HA -0.148 4.192 4.340 0.000 0.000 0.213 569 L C -0.646 175.923 176.870 -0.501 0.000 1.072 569 L CA 2.337 56.839 54.840 -0.563 0.000 0.755 569 L CB -1.652 40.068 42.059 -0.565 0.000 0.889 569 L HN 0.150 nan 8.230 nan 0.000 0.432 570 P HA 0.031 nan 4.420 nan 0.000 0.237 570 P C 0.856 178.119 177.300 -0.061 0.000 1.178 570 P CA 1.164 64.098 63.100 -0.276 0.000 0.766 570 P CB 0.069 31.485 31.700 -0.474 0.000 0.876 571 A N -0.918 121.858 122.820 -0.072 0.000 1.901 571 A HA 0.002 4.322 4.320 0.000 0.000 0.210 571 A C 2.113 179.714 177.584 0.029 0.000 1.208 571 A CA 0.814 52.853 52.037 0.003 0.000 0.644 571 A CB -1.215 17.747 19.000 -0.062 0.000 0.863 571 A HN -0.072 nan 8.150 nan 0.000 0.454 572 V N -0.394 119.512 119.914 -0.014 0.000 2.233 572 V HA -0.245 3.875 4.120 0.000 0.000 0.247 572 V C 2.335 178.582 176.094 0.256 0.000 1.050 572 V CA 2.175 64.522 62.300 0.079 0.000 1.010 572 V CB -1.107 30.819 31.823 0.172 0.000 0.637 572 V HN 0.511 nan 8.190 nan 0.000 0.444 573 F N -0.256 119.672 119.950 -0.037 0.000 2.216 573 F HA -0.107 4.420 4.527 0.000 0.000 0.300 573 F C 2.132 177.932 175.800 0.000 0.000 1.085 573 F CA 0.951 58.940 58.000 -0.018 0.000 1.326 573 F CB -1.181 37.804 39.000 -0.025 0.000 1.027 573 F HN 0.229 nan 8.300 nan 0.000 0.497 574 F N 0.861 120.867 119.950 0.093 0.000 2.014 574 F HA -0.173 4.354 4.527 -0.000 0.000 0.295 574 F C 2.071 177.848 175.800 -0.039 0.000 1.145 574 F CA 1.647 59.659 58.000 0.020 0.000 1.178 574 F CB -0.987 38.005 39.000 -0.013 0.000 0.972 574 F HN -0.130 nan 8.300 nan 0.000 0.476 575 L N 0.564 121.496 121.223 -0.484 0.000 2.081 575 L HA -0.244 4.096 4.340 0.000 0.000 0.212 575 L C 2.816 179.488 176.870 -0.330 0.000 1.080 575 L CA 1.250 55.630 54.840 -0.767 0.000 0.754 575 L CB -1.379 40.116 42.059 -0.940 0.000 0.893 575 L HN 0.404 nan 8.230 nan 0.000 0.433 576 A N -0.503 122.286 122.820 -0.053 0.000 1.902 576 A HA -0.213 4.107 4.320 0.000 0.000 0.217 576 A C 2.385 179.915 177.584 -0.089 0.000 1.181 576 A CA 2.361 54.429 52.037 0.052 0.000 0.623 576 A CB -0.888 18.096 19.000 -0.026 0.000 0.818 576 A HN 0.382 nan 8.150 nan 0.000 0.443 577 T N -0.211 114.249 114.554 -0.156 0.000 2.684 577 T HA -0.161 4.189 4.350 0.000 0.000 0.267 577 T C 2.163 176.775 174.700 -0.148 0.000 1.036 577 T CA 1.594 63.606 62.100 -0.146 0.000 1.148 577 T CB -0.240 68.553 68.868 -0.126 0.000 0.863 577 T HN 0.440 nan 8.240 nan 0.000 0.436 578 Q N 0.920 120.567 119.800 -0.255 0.000 2.002 578 Q HA -0.097 4.243 4.340 0.000 0.000 0.204 578 Q C 2.453 178.471 176.000 0.030 0.000 0.988 578 Q CA 1.411 57.142 55.803 -0.120 0.000 0.843 578 Q CB -0.604 28.055 28.738 -0.132 0.000 0.908 578 Q HN 0.520 nan 8.270 nan 0.000 0.420 579 R N 1.304 121.839 120.500 0.059 0.000 2.159 579 R HA -0.212 4.128 4.340 0.000 0.000 0.252 579 R C 1.273 177.586 176.300 0.021 0.000 1.144 579 R CA 2.008 58.168 56.100 0.100 0.000 0.961 579 R CB -0.275 30.031 30.300 0.009 0.000 0.877 579 R HN 0.334 nan 8.270 nan 0.000 0.444 580 E N 0.947 121.132 120.200 -0.025 0.000 2.526 580 E HA -0.079 4.271 4.350 0.000 0.000 0.206 580 E C -0.045 176.546 176.600 -0.015 0.000 1.139 580 E CA 0.177 56.556 56.400 -0.036 0.000 0.913 580 E CB -0.261 29.406 29.700 -0.054 0.000 0.868 580 E HN 0.276 nan 8.360 nan 0.000 0.564 581 R N 0.000 120.505 120.500 0.009 0.000 2.786 581 R HA 0.000 4.340 4.340 0.000 0.000 0.208 581 R CA 0.000 56.110 56.100 0.016 0.000 0.921 581 R CB 0.000 30.304 30.300 0.006 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535