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 1gsz_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAI 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.451 177.584 -0.221 0.000 1.274 10 A CA 0.000 51.892 52.037 -0.242 0.000 0.836 10 A CB 0.000 18.925 19.000 -0.125 0.000 0.831 11 Y N 0.599 120.971 120.300 0.122 0.000 2.497 11 Y HA 0.419 4.970 4.550 0.001 0.000 0.292 11 Y C 2.255 178.229 175.900 0.123 0.000 1.137 11 Y CA 0.941 59.124 58.100 0.138 0.000 1.285 11 Y CB -1.294 37.284 38.460 0.196 0.000 0.991 11 Y HN 0.423 nan 8.280 nan 0.000 0.556 12 A N 1.302 124.002 122.820 -0.200 0.000 1.997 12 A HA -0.275 4.046 4.320 0.001 0.000 0.221 12 A C 2.378 180.013 177.584 0.086 0.000 1.172 12 A CA 2.020 54.083 52.037 0.043 0.000 0.645 12 A CB -0.783 18.143 19.000 -0.123 0.000 0.813 12 A HN 0.550 nan 8.150 nan 0.000 0.454 13 R N -1.356 119.167 120.500 0.039 0.000 2.275 13 R HA -0.006 4.334 4.340 0.001 0.000 0.199 13 R C 1.761 178.099 176.300 0.063 0.000 0.989 13 R CA 1.209 57.331 56.100 0.036 0.000 1.016 13 R CB -0.131 30.170 30.300 0.002 0.000 0.918 13 R HN 0.588 nan 8.270 nan 0.000 0.473 14 T N 0.736 115.364 114.554 0.123 0.000 2.809 14 T HA -0.043 4.308 4.350 0.001 0.000 0.260 14 T C 1.710 176.527 174.700 0.194 0.000 1.039 14 T CA 0.567 62.756 62.100 0.148 0.000 1.141 14 T CB -0.056 68.972 68.868 0.266 0.000 0.869 14 T HN 0.132 nan 8.240 nan 0.000 0.437 15 L N 1.075 122.444 121.223 0.244 0.000 2.012 15 L HA -0.155 4.185 4.340 0.001 0.000 0.210 15 L C 2.494 179.456 176.870 0.154 0.000 1.073 15 L CA 1.467 56.440 54.840 0.220 0.000 0.748 15 L CB -0.431 41.770 42.059 0.236 0.000 0.891 15 L HN 0.235 nan 8.230 nan 0.000 0.431 16 D N -0.463 120.010 120.400 0.122 0.000 2.144 16 D HA -0.175 4.465 4.640 0.001 0.000 0.199 16 D C 2.307 178.653 176.300 0.076 0.000 0.984 16 D CA 1.146 55.198 54.000 0.087 0.000 0.834 16 D CB 0.057 40.895 40.800 0.064 0.000 0.955 16 D HN 0.312 nan 8.370 nan 0.000 0.465 17 R N 0.344 120.881 120.500 0.062 0.000 2.093 17 R HA 0.072 4.413 4.340 0.001 0.000 0.224 17 R C 2.315 178.660 176.300 0.075 0.000 1.101 17 R CA 0.864 56.985 56.100 0.034 0.000 0.979 17 R CB -0.112 30.167 30.300 -0.034 0.000 0.877 17 R HN 0.034 nan 8.270 nan 0.000 0.441 18 A N 0.828 123.718 122.820 0.116 0.000 1.902 18 A HA -0.119 4.202 4.320 0.001 0.000 0.217 18 A C 2.304 180.013 177.584 0.209 0.000 1.181 18 A CA 1.378 53.551 52.037 0.226 0.000 0.623 18 A CB -0.539 18.695 19.000 0.389 0.000 0.818 18 A HN 0.087 nan 8.150 nan 0.000 0.443 19 V N 1.206 121.205 119.914 0.141 0.000 2.223 19 V HA -0.336 3.784 4.120 0.001 0.000 0.244 19 V C 2.596 178.740 176.094 0.084 0.000 1.045 19 V CA 2.458 64.812 62.300 0.090 0.000 1.000 19 V CB -1.248 30.617 31.823 0.071 0.000 0.635 19 V HN 0.920 nan 8.190 nan 0.000 0.445 20 E N -0.152 120.100 120.200 0.087 0.000 2.171 20 E HA -0.336 4.014 4.350 0.001 0.000 0.197 20 E C 2.176 178.820 176.600 0.075 0.000 0.997 20 E CA 2.184 58.625 56.400 0.069 0.000 0.810 20 E CB -0.685 29.053 29.700 0.064 0.000 0.738 20 E HN 0.687 nan 8.360 nan 0.000 0.467 21 Y N 1.606 121.902 120.300 -0.007 0.000 2.089 21 Y HA -0.150 4.400 4.550 0.001 0.000 0.282 21 Y C 2.150 178.042 175.900 -0.013 0.000 1.139 21 Y CA 1.642 59.719 58.100 -0.037 0.000 1.123 21 Y CB -0.508 37.909 38.460 -0.071 0.000 0.980 21 Y HN -0.008 nan 8.280 nan 0.000 0.493 22 L N -0.253 120.926 121.223 -0.073 0.000 2.021 22 L HA -0.327 4.013 4.340 0.001 0.000 0.215 22 L C 2.496 179.428 176.870 0.104 0.000 1.074 22 L CA 1.774 56.571 54.840 -0.073 0.000 0.760 22 L CB -0.695 41.337 42.059 -0.046 0.000 0.889 22 L HN 0.335 nan 8.230 nan 0.000 0.433 23 L N -0.822 120.443 121.223 0.069 0.000 2.265 23 L HA -0.174 4.167 4.340 0.001 0.000 0.215 23 L C 2.684 179.505 176.870 -0.080 0.000 1.117 23 L CA 1.221 56.098 54.840 0.062 0.000 0.782 23 L CB -0.465 41.605 42.059 0.018 0.000 0.914 23 L HN 0.414 nan 8.230 nan 0.000 0.441 24 S N -1.985 113.622 115.700 -0.154 0.000 2.446 24 S HA -0.119 4.351 4.470 0.001 0.000 0.225 24 S C 1.924 176.368 174.600 -0.261 0.000 1.016 24 S CA 0.535 58.615 58.200 -0.201 0.000 0.943 24 S CB -0.554 62.526 63.200 -0.201 0.000 0.786 24 S HN 0.431 nan 8.310 nan 0.000 0.508 25 C N 1.450 120.576 119.300 -0.291 0.000 2.468 25 C HA 0.235 4.695 4.460 0.001 0.000 0.277 25 C C 1.486 176.273 174.990 -0.337 0.000 1.400 25 C CA -0.356 58.515 59.018 -0.245 0.000 1.770 25 C CB -1.475 26.176 27.740 -0.149 0.000 1.905 25 C HN 0.731 nan 8.230 nan 0.000 0.519 26 Q N 1.812 121.277 119.800 -0.558 0.000 2.263 26 Q HA 0.040 4.380 4.340 0.001 0.000 0.289 26 Q C -0.021 175.493 176.000 -0.810 0.000 1.061 26 Q CA 0.627 55.702 55.803 -1.214 0.000 0.927 26 Q CB 0.558 28.522 28.738 -1.290 0.000 1.154 26 Q HN 0.359 nan 8.270 nan 0.000 0.378 27 K N 2.672 122.517 120.400 -0.925 0.000 2.136 27 K HA 0.012 4.333 4.320 0.001 0.000 0.237 27 K C 0.288 176.509 176.600 -0.631 0.000 1.048 27 K CA 0.224 56.065 56.287 -0.744 0.000 0.880 27 K CB 0.424 32.292 32.500 -1.053 0.000 1.105 27 K HN 0.614 nan 8.250 nan 0.000 0.507 28 D N 0.633 120.773 120.400 -0.433 0.000 2.075 28 D HA -0.125 4.516 4.640 0.001 0.000 0.196 28 D C 1.256 177.387 176.300 -0.283 0.000 0.985 28 D CA 1.348 55.170 54.000 -0.296 0.000 0.834 28 D CB -0.116 40.576 40.800 -0.181 0.000 0.987 28 D HN 0.498 nan 8.370 nan 0.000 0.452 29 E N -0.331 119.732 120.200 -0.228 0.000 2.301 29 E HA -0.052 4.298 4.350 0.001 0.000 0.202 29 E C 1.471 177.963 176.600 -0.180 0.000 1.017 29 E CA 1.416 57.767 56.400 -0.082 0.000 0.831 29 E CB -0.382 29.401 29.700 0.139 0.000 0.742 29 E HN 0.440 nan 8.360 nan 0.000 0.491 30 G N -1.341 107.185 108.800 -0.458 0.000 2.175 30 G HA2 -0.225 3.735 3.960 0.001 0.000 0.182 30 G HA3 -0.225 3.735 3.960 0.001 0.000 0.182 30 G C -0.210 174.278 174.900 -0.685 0.000 1.003 30 G CA -0.122 44.688 45.100 -0.484 0.000 0.666 30 G HN 0.331 nan 8.290 nan 0.000 0.506 31 Y N -1.317 118.434 120.300 -0.915 0.000 2.587 31 Y HA 0.860 5.410 4.550 0.001 0.000 0.337 31 Y C -0.033 175.485 175.900 -0.637 0.000 1.065 31 Y CA -2.837 54.731 58.100 -0.887 0.000 1.126 31 Y CB 1.127 38.611 38.460 -1.626 0.000 1.279 31 Y HN 0.076 nan 8.280 nan 0.000 0.489 32 W N 1.730 122.946 121.300 -0.139 0.000 2.570 32 W HA 0.328 4.988 4.660 0.001 0.000 0.337 32 W C -1.590 175.064 176.519 0.225 0.000 1.067 32 W CA -0.802 56.508 57.345 -0.059 0.000 1.229 32 W CB 1.980 31.395 29.460 -0.076 0.000 1.355 32 W HN 0.777 nan 8.180 nan 0.000 0.555 33 W N 2.676 124.086 121.300 0.183 0.000 2.822 33 W HA 0.467 5.127 4.660 0.001 0.000 0.317 33 W C -0.935 175.614 176.519 0.049 0.000 1.033 33 W CA -1.419 55.995 57.345 0.114 0.000 1.252 33 W CB 0.567 30.147 29.460 0.200 0.000 1.186 33 W HN 0.368 nan 8.180 nan 0.000 0.383 34 G N 4.975 113.889 108.800 0.190 0.000 2.367 34 G HA2 0.623 4.583 3.960 0.001 0.000 0.314 34 G HA3 0.623 4.583 3.960 0.001 0.000 0.314 34 G C -2.791 172.012 174.900 -0.162 0.000 1.130 34 G CA -1.411 43.681 45.100 -0.013 0.000 0.864 34 G HN 0.148 nan 8.290 nan 0.000 0.486 35 P HA 0.148 nan 4.420 nan 0.000 0.269 35 P C -0.466 176.708 177.300 -0.210 0.000 1.209 35 P CA -0.485 62.430 63.100 -0.308 0.000 0.776 35 P CB 0.985 32.497 31.700 -0.313 0.000 0.876 36 L N 4.223 125.324 121.223 -0.204 0.000 2.275 36 L HA 0.335 4.675 4.340 0.001 0.000 0.288 36 L C -1.032 175.697 176.870 -0.234 0.000 1.046 36 L CA -0.323 54.357 54.840 -0.267 0.000 0.805 36 L CB 0.274 42.208 42.059 -0.208 0.000 1.193 36 L HN 0.132 nan 8.230 nan 0.000 0.426 37 L N 4.332 125.369 121.223 -0.309 0.000 2.309 37 L HA 0.636 4.976 4.340 0.001 0.000 0.282 37 L C 0.666 177.331 176.870 -0.340 0.000 1.036 37 L CA 0.236 54.942 54.840 -0.224 0.000 0.806 37 L CB 1.154 43.129 42.059 -0.141 0.000 1.220 37 L HN 0.924 nan 8.230 nan 0.000 0.429 38 S N 2.279 117.932 115.700 -0.077 0.000 3.881 38 S HA 0.605 5.075 4.470 0.001 0.000 0.189 38 S C -0.313 174.402 174.600 0.193 0.000 1.135 38 S CA -0.219 57.920 58.200 -0.102 0.000 1.435 38 S CB 1.147 64.303 63.200 -0.072 0.000 1.506 38 S HN 0.628 nan 8.310 nan 0.000 0.814 39 N N -0.438 118.389 118.700 0.211 0.000 2.610 39 N HA 0.400 5.141 4.740 0.001 0.000 0.264 39 N C 0.343 175.992 175.510 0.231 0.000 1.348 39 N CA -0.419 52.783 53.050 0.253 0.000 0.819 39 N CB 1.378 40.017 38.487 0.252 0.000 1.521 39 N HN 0.827 nan 8.380 nan 0.000 0.497 40 V N -2.664 117.348 119.914 0.163 0.000 3.244 40 V HA -0.181 3.939 4.120 0.001 0.000 0.273 40 V C 1.428 177.525 176.094 0.004 0.000 1.180 40 V CA 1.979 64.337 62.300 0.096 0.000 1.182 40 V CB -2.144 29.559 31.823 -0.201 0.000 0.796 40 V HN 0.885 nan 8.190 nan 0.000 0.543 41 T N -2.818 111.739 114.554 0.005 0.000 2.951 41 T HA -0.073 4.278 4.350 0.001 0.000 0.268 41 T C 1.841 176.450 174.700 -0.151 0.000 1.073 41 T CA 1.423 63.461 62.100 -0.103 0.000 1.134 41 T CB -0.344 68.470 68.868 -0.090 0.000 0.884 41 T HN 0.386 nan 8.240 nan 0.000 0.479 42 M N 1.622 121.196 119.600 -0.044 0.000 2.065 42 M HA -0.039 4.442 4.480 0.001 0.000 0.259 42 M C 2.262 178.526 176.300 -0.062 0.000 1.071 42 M CA 1.789 57.024 55.300 -0.108 0.000 1.109 42 M CB -1.251 31.397 32.600 0.080 0.000 1.313 42 M HN 0.253 nan 8.290 nan 0.000 0.408 43 E N 0.889 121.135 120.200 0.077 0.000 2.051 43 E HA -0.075 4.276 4.350 0.001 0.000 0.192 43 E C 2.172 178.828 176.600 0.092 0.000 0.991 43 E CA 1.710 58.210 56.400 0.167 0.000 0.799 43 E CB -0.633 29.233 29.700 0.277 0.000 0.748 43 E HN 0.536 nan 8.360 nan 0.000 0.449 44 A N 0.882 123.677 122.820 -0.041 0.000 1.908 44 A HA -0.259 4.061 4.320 0.001 0.000 0.218 44 A C 2.024 179.433 177.584 -0.291 0.000 1.181 44 A CA 1.823 53.766 52.037 -0.157 0.000 0.627 44 A CB -0.535 18.322 19.000 -0.238 0.000 0.818 44 A HN 0.225 nan 8.150 nan 0.000 0.445 45 E N -2.009 117.924 120.200 -0.444 0.000 2.204 45 E HA -0.157 4.193 4.350 0.001 0.000 0.194 45 E C 1.732 178.114 176.600 -0.364 0.000 0.989 45 E CA 1.105 57.000 56.400 -0.842 0.000 0.824 45 E CB -0.243 28.819 29.700 -1.063 0.000 0.756 45 E HN 0.802 nan 8.360 nan 0.000 0.477 46 Y N 0.599 120.823 120.300 -0.127 0.000 2.163 46 Y HA -0.240 4.310 4.550 0.001 0.000 0.288 46 Y C 2.053 177.882 175.900 -0.118 0.000 1.136 46 Y CA 1.176 59.264 58.100 -0.020 0.000 1.147 46 Y CB -0.229 38.244 38.460 0.022 0.000 0.987 46 Y HN -0.176 nan 8.280 nan 0.000 0.509 47 V N 0.683 120.638 119.914 0.069 0.000 2.324 47 V HA -0.352 3.769 4.120 0.001 0.000 0.250 47 V C 2.395 178.345 176.094 -0.240 0.000 1.060 47 V CA 2.180 64.453 62.300 -0.045 0.000 1.042 47 V CB -0.753 31.048 31.823 -0.037 0.000 0.650 47 V HN 0.466 nan 8.190 nan 0.000 0.450 48 L N -1.130 119.934 121.223 -0.264 0.000 2.109 48 L HA -0.104 4.236 4.340 0.001 0.000 0.207 48 L C 2.370 179.242 176.870 0.004 0.000 1.086 48 L CA 0.875 55.611 54.840 -0.175 0.000 0.760 48 L CB -0.473 41.495 42.059 -0.152 0.000 0.910 48 L HN 0.338 nan 8.230 nan 0.000 0.437 49 L N -0.453 120.741 121.223 -0.049 0.000 2.046 49 L HA -0.221 4.120 4.340 0.001 0.000 0.208 49 L C 2.525 179.279 176.870 -0.192 0.000 1.077 49 L CA 1.784 56.596 54.840 -0.048 0.000 0.747 49 L CB -0.646 41.234 42.059 -0.298 0.000 0.896 49 L HN 0.228 nan 8.230 nan 0.000 0.432 50 C N -0.601 118.524 119.300 -0.291 0.000 2.413 50 C HA -0.198 4.263 4.460 0.001 0.000 0.276 50 C C 2.713 177.623 174.990 -0.134 0.000 1.248 50 C CA 1.087 59.980 59.018 -0.209 0.000 1.742 50 C CB -1.403 26.223 27.740 -0.191 0.000 2.017 50 C HN 0.819 nan 8.230 nan 0.000 0.481 51 H N 1.052 120.004 119.070 -0.196 0.000 2.293 51 H HA -0.094 4.463 4.556 0.001 0.000 0.300 51 H C 1.985 177.226 175.328 -0.146 0.000 1.082 51 H CA 1.970 57.940 56.048 -0.130 0.000 1.308 51 H CB -0.316 29.286 29.762 -0.267 0.000 1.375 51 H HN 0.260 nan 8.280 nan 0.000 0.495 52 I N 0.616 120.960 120.570 -0.378 0.000 2.163 52 I HA -0.249 3.922 4.170 0.001 0.000 0.243 52 I C 2.113 177.832 176.117 -0.665 0.000 1.085 52 I CA 1.293 62.188 61.300 -0.676 0.000 1.347 52 I CB -1.070 36.627 38.000 -0.505 0.000 1.044 52 I HN 0.361 nan 8.210 nan 0.000 0.408 53 L N 0.297 121.269 121.223 -0.419 0.000 2.627 53 L HA -0.024 4.317 4.340 0.001 0.000 0.233 53 L C 0.296 176.962 176.870 -0.340 0.000 1.144 53 L CA 0.127 54.751 54.840 -0.359 0.000 0.892 53 L CB -0.744 41.124 42.059 -0.318 0.000 1.039 53 L HN 0.274 nan 8.230 nan 0.000 0.442 54 D N 1.732 121.944 120.400 -0.313 0.000 2.686 54 D HA -0.230 4.410 4.640 0.001 0.000 0.235 54 D C 0.297 176.487 176.300 -0.182 0.000 1.160 54 D CA 0.722 54.596 54.000 -0.210 0.000 0.645 54 D CB -0.287 40.410 40.800 -0.172 0.000 1.039 54 D HN 0.345 nan 8.370 nan 0.000 0.423 55 R N -0.025 120.358 120.500 -0.195 0.000 2.738 55 R HA 0.307 4.648 4.340 0.001 0.000 0.280 55 R C -0.751 175.546 176.300 -0.006 0.000 1.456 55 R CA -0.657 55.345 56.100 -0.164 0.000 1.612 55 R CB 1.218 31.246 30.300 -0.453 0.000 1.286 55 R HN -0.023 nan 8.270 nan 0.000 0.660 56 V N 1.259 121.192 119.914 0.031 0.000 2.432 56 V HA 0.098 4.219 4.120 0.001 0.000 0.275 56 V C 0.026 176.167 176.094 0.078 0.000 1.043 56 V CA -0.396 61.956 62.300 0.088 0.000 0.925 56 V CB 1.527 33.440 31.823 0.151 0.000 0.985 56 V HN 0.323 nan 8.190 nan 0.000 0.466 57 D N 4.435 124.883 120.400 0.080 0.000 2.427 57 D HA 0.293 4.933 4.640 0.001 0.000 0.226 57 D C 1.240 177.561 176.300 0.034 0.000 1.076 57 D CA -0.564 53.467 54.000 0.051 0.000 0.849 57 D CB 0.876 41.700 40.800 0.040 0.000 1.052 57 D HN 0.213 nan 8.370 nan 0.000 0.515 58 R N 2.473 122.993 120.500 0.033 0.000 2.140 58 R HA -0.183 4.158 4.340 0.001 0.000 0.250 58 R C 1.303 177.612 176.300 0.016 0.000 1.150 58 R CA 1.299 57.415 56.100 0.027 0.000 0.966 58 R CB -0.443 29.869 30.300 0.020 0.000 0.869 58 R HN 0.673 nan 8.270 nan 0.000 0.445 59 D N 0.044 120.447 120.400 0.005 0.000 2.144 59 D HA -0.170 4.471 4.640 0.001 0.000 0.200 59 D C 1.890 178.168 176.300 -0.037 0.000 0.978 59 D CA 0.882 54.878 54.000 -0.006 0.000 0.833 59 D CB 0.156 40.951 40.800 -0.008 0.000 0.961 59 D HN -0.017 nan 8.370 nan 0.000 0.470 60 R N 0.228 120.682 120.500 -0.076 0.000 2.073 60 R HA -0.061 4.279 4.340 0.001 0.000 0.234 60 R C 2.428 178.659 176.300 -0.115 0.000 1.134 60 R CA 1.229 57.213 56.100 -0.193 0.000 0.952 60 R CB -0.705 29.436 30.300 -0.266 0.000 0.850 60 R HN 0.145 nan 8.270 nan 0.000 0.433 61 M N 0.887 120.476 119.600 -0.019 0.000 2.144 61 M HA -0.164 4.316 4.480 0.001 0.000 0.260 61 M C 1.822 178.161 176.300 0.064 0.000 1.067 61 M CA 1.585 56.915 55.300 0.049 0.000 1.095 61 M CB -0.945 31.706 32.600 0.085 0.000 1.365 61 M HN 0.145 nan 8.290 nan 0.000 0.406 62 E N 0.725 120.953 120.200 0.048 0.000 2.051 62 E HA -0.140 4.211 4.350 0.001 0.000 0.192 62 E C 2.029 178.687 176.600 0.098 0.000 0.991 62 E CA 1.184 57.625 56.400 0.067 0.000 0.799 62 E CB -0.253 29.476 29.700 0.049 0.000 0.748 62 E HN 0.530 nan 8.360 nan 0.000 0.449 63 K N 0.068 120.513 120.400 0.075 0.000 2.147 63 K HA -0.108 4.212 4.320 0.001 0.000 0.205 63 K C 2.265 178.990 176.600 0.207 0.000 1.049 63 K CA 0.730 57.092 56.287 0.124 0.000 0.936 63 K CB -0.145 32.407 32.500 0.087 0.000 0.722 63 K HN 0.032 nan 8.250 nan 0.000 0.446 64 I N 1.027 121.699 120.570 0.170 0.000 2.163 64 I HA -0.239 3.931 4.170 0.001 0.000 0.240 64 I C 2.551 178.845 176.117 0.295 0.000 1.081 64 I CA 1.211 62.665 61.300 0.257 0.000 1.353 64 I CB -0.190 37.918 38.000 0.178 0.000 1.054 64 I HN 0.066 nan 8.210 nan 0.000 0.407 65 R N 0.405 121.030 120.500 0.210 0.000 2.103 65 R HA -0.195 4.146 4.340 0.001 0.000 0.242 65 R C 2.486 178.929 176.300 0.239 0.000 1.142 65 R CA 1.545 57.763 56.100 0.197 0.000 0.960 65 R CB -0.167 30.217 30.300 0.139 0.000 0.858 65 R HN 0.263 nan 8.270 nan 0.000 0.439 66 R N -0.840 119.815 120.500 0.258 0.000 2.091 66 R HA -0.225 4.115 4.340 0.001 0.000 0.238 66 R C 2.264 178.819 176.300 0.424 0.000 1.136 66 R CA 2.019 58.303 56.100 0.305 0.000 0.959 66 R CB -0.589 29.909 30.300 0.330 0.000 0.856 66 R HN 0.353 nan 8.270 nan 0.000 0.437 67 Y N 1.506 122.017 120.300 0.352 0.000 2.114 67 Y HA -0.192 4.359 4.550 0.001 0.000 0.284 67 Y C 2.050 178.162 175.900 0.353 0.000 1.143 67 Y CA 1.421 59.757 58.100 0.393 0.000 1.135 67 Y CB -0.532 38.098 38.460 0.284 0.000 0.980 67 Y HN -0.056 nan 8.280 nan 0.000 0.499 68 L N -0.661 120.721 121.223 0.266 0.000 1.997 68 L HA -0.311 4.030 4.340 0.001 0.000 0.216 68 L C 2.402 179.478 176.870 0.343 0.000 1.074 68 L CA 1.192 56.138 54.840 0.178 0.000 0.763 68 L CB -0.781 41.393 42.059 0.191 0.000 0.890 68 L HN 0.314 nan 8.230 nan 0.000 0.434 69 L N -0.770 120.616 121.223 0.272 0.000 1.976 69 L HA -0.265 4.076 4.340 0.001 0.000 0.209 69 L C 2.523 179.424 176.870 0.050 0.000 1.071 69 L CA 2.082 57.029 54.840 0.179 0.000 0.746 69 L CB -1.709 40.420 42.059 0.117 0.000 0.890 69 L HN 0.358 nan 8.230 nan 0.000 0.432 70 H N 0.008 119.044 119.070 -0.056 0.000 2.400 70 H HA -0.207 4.349 4.556 0.001 0.000 0.295 70 H C 1.878 177.097 175.328 -0.181 0.000 1.118 70 H CA 2.068 57.998 56.048 -0.196 0.000 1.256 70 H CB 0.350 29.889 29.762 -0.371 0.000 1.365 70 H HN 0.297 nan 8.280 nan 0.000 0.502 71 E N 0.436 120.638 120.200 0.003 0.000 2.371 71 E HA -0.071 4.279 4.350 0.001 0.000 0.194 71 E C 0.585 177.078 176.600 -0.178 0.000 1.012 71 E CA 0.138 56.523 56.400 -0.026 0.000 0.860 71 E CB -0.037 29.629 29.700 -0.056 0.000 0.811 71 E HN 0.669 nan 8.360 nan 0.000 0.502 72 Q N 1.240 120.809 119.800 -0.385 0.000 2.392 72 Q HA 0.081 4.422 4.340 0.001 0.000 0.262 72 Q C -0.344 175.260 176.000 -0.659 0.000 1.003 72 Q CA 0.014 55.156 55.803 -1.101 0.000 0.888 72 Q CB 0.657 28.729 28.738 -1.111 0.000 1.260 72 Q HN -0.143 nan 8.270 nan 0.000 0.435 73 R N 1.477 121.590 120.500 -0.644 0.000 2.541 73 R HA 0.128 4.468 4.340 0.001 0.000 0.254 73 R C 1.180 177.266 176.300 -0.356 0.000 1.130 73 R CA -0.444 55.406 56.100 -0.416 0.000 1.152 73 R CB 0.327 30.419 30.300 -0.347 0.000 1.222 73 R HN 0.704 nan 8.270 nan 0.000 0.579 74 E N 0.970 121.013 120.200 -0.263 0.000 2.097 74 E HA -0.229 4.122 4.350 0.001 0.000 0.196 74 E C 0.940 177.422 176.600 -0.197 0.000 1.000 74 E CA 2.123 58.400 56.400 -0.206 0.000 0.804 74 E CB -0.076 29.529 29.700 -0.158 0.000 0.740 74 E HN 0.631 nan 8.360 nan 0.000 0.454 75 D N -1.233 119.039 120.400 -0.213 0.000 2.378 75 D HA -0.021 4.619 4.640 0.001 0.000 0.222 75 D C 1.230 177.398 176.300 -0.221 0.000 0.980 75 D CA 0.941 54.825 54.000 -0.193 0.000 0.907 75 D CB -0.125 40.551 40.800 -0.208 0.000 0.899 75 D HN 0.255 nan 8.370 nan 0.000 0.527 76 G N -0.404 108.211 108.800 -0.307 0.000 2.131 76 G HA2 -0.225 3.735 3.960 0.001 0.000 0.223 76 G HA3 -0.225 3.735 3.960 0.001 0.000 0.223 76 G C 0.386 174.994 174.900 -0.487 0.000 0.990 76 G CA 0.474 45.357 45.100 -0.362 0.000 0.671 76 G HN 0.814 nan 8.290 nan 0.000 0.521 77 T N -3.017 111.223 114.554 -0.523 0.000 2.938 77 T HA 0.754 5.105 4.350 0.001 0.000 0.285 77 T C -0.327 174.096 174.700 -0.462 0.000 1.028 77 T CA -0.940 60.912 62.100 -0.413 0.000 1.005 77 T CB 2.282 70.832 68.868 -0.529 0.000 1.157 77 T HN 0.465 nan 8.240 nan 0.000 0.550 78 W N -0.005 121.216 121.300 -0.131 0.000 2.819 78 W HA 0.677 5.338 4.660 0.001 0.000 0.337 78 W C -0.136 176.328 176.519 -0.091 0.000 1.077 78 W CA -1.133 56.155 57.345 -0.096 0.000 1.226 78 W CB 2.359 31.798 29.460 -0.035 0.000 1.419 78 W HN 1.079 nan 8.180 nan 0.000 0.502 79 A N 1.983 124.864 122.820 0.102 0.000 2.347 79 A HA 0.657 4.977 4.320 0.001 0.000 0.301 79 A C 0.506 178.141 177.584 0.084 0.000 1.163 79 A CA -0.551 51.489 52.037 0.004 0.000 0.860 79 A CB 1.208 20.078 19.000 -0.217 0.000 1.367 79 A HN 0.705 nan 8.150 nan 0.000 0.461 80 L N -1.081 120.216 121.223 0.123 0.000 2.095 80 L HA 0.068 4.409 4.340 0.001 0.000 0.204 80 L C 0.423 177.515 176.870 0.369 0.000 1.080 80 L CA 1.080 56.131 54.840 0.352 0.000 0.759 80 L CB -0.551 41.878 42.059 0.617 0.000 0.914 80 L HN 0.803 nan 8.230 nan 0.000 0.439 81 Y N -1.833 118.472 120.300 0.008 0.000 2.598 81 Y HA 0.636 5.187 4.550 0.001 0.000 0.340 81 Y C -2.711 172.965 175.900 -0.373 0.000 1.038 81 Y CA -4.354 53.552 58.100 -0.322 0.000 1.100 81 Y CB -0.889 37.421 38.460 -0.251 0.000 1.281 81 Y HN -0.214 nan 8.280 nan 0.000 0.488 82 P HA 0.235 nan 4.420 nan 0.000 0.276 82 P C 0.518 177.713 177.300 -0.175 0.000 1.243 82 P CA 0.987 63.890 63.100 -0.329 0.000 0.768 82 P CB 1.090 32.578 31.700 -0.353 0.000 0.856 83 G N 2.027 110.697 108.800 -0.216 0.000 2.141 83 G HA2 -0.123 3.837 3.960 0.001 0.000 0.242 83 G HA3 -0.123 3.837 3.960 0.001 0.000 0.242 83 G C 0.389 175.115 174.900 -0.290 0.000 0.982 83 G CA -0.261 44.758 45.100 -0.135 0.000 0.662 83 G HN 0.887 nan 8.290 nan 0.000 0.527 84 G N -0.034 108.391 108.800 -0.626 0.000 2.462 84 G HA2 0.774 4.734 3.960 0.001 0.000 0.319 84 G HA3 0.774 4.734 3.960 0.001 0.000 0.319 84 G C -1.706 172.916 174.900 -0.464 0.000 1.171 84 G CA -0.809 43.703 45.100 -0.981 0.000 0.920 84 G HN 0.233 nan 8.290 nan 0.000 0.499 85 P HA 0.183 nan 4.420 nan 0.000 0.269 85 P C -2.491 174.732 177.300 -0.129 0.000 1.215 85 P CA -0.957 62.065 63.100 -0.131 0.000 0.780 85 P CB 0.522 32.219 31.700 -0.005 0.000 0.898 86 P HA 0.006 nan 4.420 nan 0.000 0.266 86 P C -0.419 176.898 177.300 0.029 0.000 1.195 86 P CA 0.554 63.502 63.100 -0.254 0.000 0.768 86 P CB 0.684 31.902 31.700 -0.803 0.000 0.838 87 D N 2.323 122.802 120.400 0.130 0.000 2.278 87 D HA 0.096 4.736 4.640 0.001 0.000 0.245 87 D C 0.881 177.414 176.300 0.389 0.000 1.052 87 D CA -0.615 53.546 54.000 0.267 0.000 0.834 87 D CB 1.748 42.689 40.800 0.235 0.000 1.194 87 D HN 0.057 nan 8.370 nan 0.000 0.481 88 L N 4.590 126.032 121.223 0.366 0.000 1.988 88 L HA -0.104 4.237 4.340 0.001 0.000 0.207 88 L C 1.571 178.539 176.870 0.163 0.000 1.071 88 L CA 1.838 56.838 54.840 0.266 0.000 0.744 88 L CB -0.422 41.684 42.059 0.079 0.000 0.893 88 L HN 0.451 nan 8.230 nan 0.000 0.433 89 D N -1.035 119.436 120.400 0.119 0.000 2.092 89 D HA -0.203 4.438 4.640 0.001 0.000 0.193 89 D C 1.928 178.256 176.300 0.046 0.000 0.994 89 D CA 2.163 56.194 54.000 0.052 0.000 0.828 89 D CB -0.535 40.284 40.800 0.032 0.000 0.963 89 D HN 0.387 nan 8.370 nan 0.000 0.450 90 T N 0.664 115.276 114.554 0.097 0.000 2.759 90 T HA -0.109 4.241 4.350 0.001 0.000 0.269 90 T C 2.048 176.747 174.700 -0.000 0.000 1.042 90 T CA 1.636 63.768 62.100 0.054 0.000 1.140 90 T CB -0.351 68.603 68.868 0.143 0.000 0.864 90 T HN 0.181 nan 8.240 nan 0.000 0.455 91 T N 1.729 116.384 114.554 0.168 0.000 2.896 91 T HA 0.184 4.535 4.350 0.001 0.000 0.263 91 T C 2.007 176.789 174.700 0.136 0.000 1.050 91 T CA 0.456 62.722 62.100 0.276 0.000 1.140 91 T CB -0.245 68.947 68.868 0.540 0.000 0.877 91 T HN 0.313 nan 8.240 nan 0.000 0.457 92 I N 1.357 121.985 120.570 0.097 0.000 2.099 92 I HA -0.204 3.966 4.170 0.001 0.000 0.239 92 I C 2.656 178.790 176.117 0.029 0.000 1.066 92 I CA 1.566 62.899 61.300 0.054 0.000 1.324 92 I CB -0.436 37.556 38.000 -0.013 0.000 1.037 92 I HN 0.315 nan 8.210 nan 0.000 0.401 93 E N 0.892 121.055 120.200 -0.063 0.000 2.085 93 E HA -0.234 4.117 4.350 0.001 0.000 0.194 93 E C 2.303 178.777 176.600 -0.211 0.000 0.994 93 E CA 1.366 57.683 56.400 -0.139 0.000 0.801 93 E CB -0.217 29.369 29.700 -0.191 0.000 0.743 93 E HN 0.543 nan 8.360 nan 0.000 0.453 94 A N 0.721 123.322 122.820 -0.364 0.000 1.930 94 A HA -0.199 4.122 4.320 0.001 0.000 0.217 94 A C 2.001 179.373 177.584 -0.353 0.000 1.175 94 A CA 1.187 52.843 52.037 -0.637 0.000 0.627 94 A CB -0.673 17.312 19.000 -1.691 0.000 0.815 94 A HN 0.390 nan 8.150 nan 0.000 0.443 95 Y N 0.915 121.069 120.300 -0.244 0.000 2.145 95 Y HA -0.206 4.344 4.550 0.001 0.000 0.286 95 Y C 2.274 178.170 175.900 -0.007 0.000 1.145 95 Y CA 2.198 60.289 58.100 -0.015 0.000 1.148 95 Y CB -0.292 38.207 38.460 0.066 0.000 0.981 95 Y HN 0.077 nan 8.280 nan 0.000 0.507 96 V N 0.467 120.375 119.914 -0.011 0.000 2.427 96 V HA -0.244 3.876 4.120 0.001 0.000 0.248 96 V C 2.677 178.716 176.094 -0.092 0.000 1.051 96 V CA 1.466 63.726 62.300 -0.067 0.000 1.048 96 V CB -1.734 30.098 31.823 0.015 0.000 0.666 96 V HN 0.543 nan 8.190 nan 0.000 0.456 97 A N 0.443 123.199 122.820 -0.107 0.000 1.865 97 A HA -0.177 4.144 4.320 0.001 0.000 0.217 97 A C 2.251 179.830 177.584 -0.008 0.000 1.191 97 A CA 2.051 54.041 52.037 -0.080 0.000 0.623 97 A CB -0.597 18.334 19.000 -0.115 0.000 0.826 97 A HN 0.490 nan 8.150 nan 0.000 0.444 98 L N -0.799 120.391 121.223 -0.054 0.000 1.994 98 L HA -0.195 4.146 4.340 0.001 0.000 0.208 98 L C 2.612 179.451 176.870 -0.052 0.000 1.071 98 L CA 1.974 56.803 54.840 -0.018 0.000 0.745 98 L CB -0.485 41.572 42.059 -0.003 0.000 0.892 98 L HN 0.447 nan 8.230 nan 0.000 0.431 99 K N -0.655 119.636 120.400 -0.182 0.000 2.228 99 K HA -0.284 4.037 4.320 0.001 0.000 0.205 99 K C 2.164 178.733 176.600 -0.051 0.000 1.045 99 K CA 1.723 57.904 56.287 -0.178 0.000 0.931 99 K CB -0.201 32.102 32.500 -0.329 0.000 0.727 99 K HN 0.273 nan 8.250 nan 0.000 0.458 100 Y N 0.530 120.760 120.300 -0.116 0.000 2.314 100 Y HA 0.020 4.571 4.550 0.001 0.000 0.294 100 Y C 1.544 177.415 175.900 -0.048 0.000 1.119 100 Y CA 1.107 59.157 58.100 -0.083 0.000 1.179 100 Y CB 0.119 38.521 38.460 -0.096 0.000 1.025 100 Y HN -0.026 nan 8.280 nan 0.000 0.541 101 I N -0.628 120.016 120.570 0.124 0.000 2.493 101 I HA -0.090 4.080 4.170 0.001 0.000 0.254 101 I C 2.021 178.120 176.117 -0.029 0.000 1.160 101 I CA 1.618 62.959 61.300 0.069 0.000 1.445 101 I CB -0.339 37.730 38.000 0.115 0.000 1.086 101 I HN 0.498 nan 8.210 nan 0.000 0.433 102 G N -0.888 107.887 108.800 -0.042 0.000 3.859 102 G HA2 -0.022 3.939 3.960 0.001 0.000 0.198 102 G HA3 -0.022 3.939 3.960 0.001 0.000 0.198 102 G C 0.402 175.284 174.900 -0.030 0.000 0.972 102 G CA -0.635 44.439 45.100 -0.044 0.000 0.882 102 G HN -0.054 nan 8.290 nan 0.000 0.364 103 M N 2.936 122.526 119.600 -0.016 0.000 2.226 103 M HA 0.213 4.694 4.480 0.001 0.000 0.352 103 M C 0.677 176.961 176.300 -0.028 0.000 1.226 103 M CA 0.659 55.952 55.300 -0.012 0.000 0.943 103 M CB 0.030 32.625 32.600 -0.009 0.000 1.805 103 M HN 0.527 nan 8.290 nan 0.000 0.465 104 S N 2.990 118.688 115.700 -0.003 0.000 2.508 104 S HA 0.430 4.900 4.470 0.001 0.000 0.284 104 S C 0.944 175.563 174.600 0.033 0.000 1.192 104 S CA -1.101 57.103 58.200 0.008 0.000 1.070 104 S CB 1.334 64.544 63.200 0.016 0.000 1.004 104 S HN 0.769 nan 8.310 nan 0.000 0.493 105 R N 1.203 121.735 120.500 0.054 0.000 2.388 105 R HA -0.159 4.181 4.340 0.001 0.000 0.233 105 R C -0.003 176.369 176.300 0.120 0.000 1.156 105 R CA 1.566 57.743 56.100 0.128 0.000 1.036 105 R CB -0.687 29.712 30.300 0.165 0.000 0.847 105 R HN 0.591 nan 8.270 nan 0.000 0.483 106 D N 1.579 122.025 120.400 0.077 0.000 2.146 106 D HA -0.062 4.579 4.640 0.001 0.000 0.209 106 D C 0.065 176.401 176.300 0.060 0.000 0.973 106 D CA 0.392 54.430 54.000 0.063 0.000 0.860 106 D CB -0.354 40.472 40.800 0.044 0.000 1.015 106 D HN 0.282 nan 8.370 nan 0.000 0.465 107 E N 1.803 122.033 120.200 0.051 0.000 3.326 107 E HA -0.205 4.146 4.350 0.001 0.000 0.285 107 E C 0.954 177.584 176.600 0.049 0.000 0.864 107 E CA 0.324 56.751 56.400 0.045 0.000 0.984 107 E CB 0.684 30.411 29.700 0.044 0.000 0.952 107 E HN 0.339 nan 8.360 nan 0.000 0.525 108 E N 4.284 124.503 120.200 0.030 0.000 2.113 108 E HA -0.239 4.112 4.350 0.001 0.000 0.210 108 E C -0.880 175.735 176.600 0.025 0.000 1.040 108 E CA 2.168 58.581 56.400 0.021 0.000 0.847 108 E CB -0.471 29.229 29.700 -0.000 0.000 0.755 108 E HN 0.372 nan 8.360 nan 0.000 0.459 109 P HA -0.194 nan 4.420 nan 0.000 0.215 109 P C 1.348 178.709 177.300 0.101 0.000 1.157 109 P CA 1.643 64.756 63.100 0.021 0.000 0.868 109 P CB -0.050 31.665 31.700 0.024 0.000 0.788 110 M N -1.140 118.554 119.600 0.156 0.000 2.202 110 M HA -0.168 4.312 4.480 0.001 0.000 0.262 110 M C 2.049 178.514 176.300 0.275 0.000 1.063 110 M CA 1.675 57.146 55.300 0.285 0.000 1.097 110 M CB -1.592 31.139 32.600 0.219 0.000 1.382 110 M HN 0.068 nan 8.290 nan 0.000 0.413 111 Q N 0.728 120.620 119.800 0.153 0.000 1.993 111 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 111 Q C 2.094 178.142 176.000 0.079 0.000 0.984 111 Q CA 1.479 57.344 55.803 0.104 0.000 0.837 111 Q CB -0.370 28.407 28.738 0.064 0.000 0.902 111 Q HN 0.565 nan 8.270 nan 0.000 0.423 112 K N 0.466 120.899 120.400 0.055 0.000 2.020 112 K HA -0.150 4.171 4.320 0.001 0.000 0.212 112 K C 2.164 178.805 176.600 0.067 0.000 1.050 112 K CA 1.407 57.712 56.287 0.030 0.000 0.929 112 K CB -0.344 32.138 32.500 -0.030 0.000 0.714 112 K HN 0.154 nan 8.250 nan 0.000 0.443 113 A N 1.976 124.855 122.820 0.098 0.000 1.883 113 A HA -0.173 4.148 4.320 0.001 0.000 0.217 113 A C 2.209 179.858 177.584 0.107 0.000 1.186 113 A CA 1.291 53.437 52.037 0.182 0.000 0.624 113 A CB -0.793 18.416 19.000 0.347 0.000 0.822 113 A HN 0.284 nan 8.150 nan 0.000 0.444 114 L N -0.953 120.261 121.223 -0.014 0.000 2.042 114 L HA -0.224 4.116 4.340 0.001 0.000 0.210 114 L C 2.826 179.651 176.870 -0.075 0.000 1.076 114 L CA 1.560 56.284 54.840 -0.194 0.000 0.749 114 L CB -0.261 41.726 42.059 -0.120 0.000 0.893 114 L HN 0.397 nan 8.230 nan 0.000 0.432 115 R N -1.438 119.070 120.500 0.013 0.000 2.148 115 R HA -0.167 4.174 4.340 0.001 0.000 0.223 115 R C 2.115 178.449 176.300 0.057 0.000 1.088 115 R CA 1.333 57.448 56.100 0.025 0.000 0.985 115 R CB -0.249 30.076 30.300 0.041 0.000 0.880 115 R HN 0.335 nan 8.270 nan 0.000 0.451 116 F N 1.394 121.323 119.950 -0.035 0.000 2.128 116 F HA -0.036 4.491 4.527 0.001 0.000 0.295 116 F C 1.884 177.668 175.800 -0.026 0.000 1.100 116 F CA 1.053 59.041 58.000 -0.021 0.000 1.260 116 F CB -0.229 38.766 39.000 -0.008 0.000 1.009 116 F HN -0.180 nan 8.300 nan 0.000 0.476 117 I N 0.507 120.961 120.570 -0.192 0.000 2.264 117 I HA -0.334 3.836 4.170 0.001 0.000 0.248 117 I C 2.333 178.272 176.117 -0.298 0.000 1.111 117 I CA 1.481 62.588 61.300 -0.323 0.000 1.382 117 I CB -0.669 37.211 38.000 -0.201 0.000 1.060 117 I HN 0.326 nan 8.210 nan 0.000 0.418 118 Q N 0.441 120.122 119.800 -0.198 0.000 2.046 118 Q HA -0.163 4.178 4.340 0.001 0.000 0.200 118 Q C 2.354 178.270 176.000 -0.140 0.000 0.975 118 Q CA 1.924 57.645 55.803 -0.136 0.000 0.836 118 Q CB -0.276 28.415 28.738 -0.078 0.000 0.896 118 Q HN 0.596 nan 8.270 nan 0.000 0.428 119 S N 0.439 116.047 115.700 -0.152 0.000 2.528 119 S HA -0.127 4.344 4.470 0.001 0.000 0.244 119 S C 1.533 176.029 174.600 -0.173 0.000 0.982 119 S CA 0.815 58.942 58.200 -0.122 0.000 0.953 119 S CB 0.029 63.192 63.200 -0.061 0.000 0.754 119 S HN 0.238 nan 8.310 nan 0.000 0.529 120 Q N 0.032 119.665 119.800 -0.277 0.000 2.247 120 Q HA 0.318 4.659 4.340 0.001 0.000 0.211 120 Q C 1.366 177.280 176.000 -0.143 0.000 0.861 120 Q CA 0.666 56.317 55.803 -0.253 0.000 0.949 120 Q CB 0.715 29.186 28.738 -0.444 0.000 1.115 120 Q HN 0.772 nan 8.270 nan 0.000 0.507 121 G N -0.087 108.646 108.800 -0.111 0.000 2.184 121 G HA2 -0.109 3.851 3.960 0.001 0.000 0.206 121 G HA3 -0.109 3.851 3.960 0.001 0.000 0.206 121 G C 0.617 175.486 174.900 -0.051 0.000 0.995 121 G CA 0.103 45.170 45.100 -0.054 0.000 0.651 121 G HN 0.721 nan 8.290 nan 0.000 0.511 122 G N -0.404 108.334 108.800 -0.104 0.000 2.598 122 G HA2 -0.138 3.823 3.960 0.001 0.000 0.244 122 G HA3 -0.138 3.823 3.960 0.001 0.000 0.244 122 G C 1.040 175.867 174.900 -0.122 0.000 1.302 122 G CA 0.286 45.318 45.100 -0.114 0.000 0.903 122 G HN 1.310 nan 8.290 nan 0.000 0.575 123 I N 0.811 121.277 120.570 -0.174 0.000 2.530 123 I HA -0.086 4.085 4.170 0.001 0.000 0.257 123 I C 2.129 178.182 176.117 -0.106 0.000 1.179 123 I CA 1.931 63.106 61.300 -0.207 0.000 1.440 123 I CB -0.131 37.630 38.000 -0.398 0.000 1.087 123 I HN 0.520 nan 8.210 nan 0.000 0.440 124 E N 0.174 120.383 120.200 0.014 0.000 2.511 124 E HA -0.017 4.334 4.350 0.001 0.000 0.196 124 E C 1.534 178.154 176.600 0.033 0.000 1.066 124 E CA 0.308 56.765 56.400 0.095 0.000 0.871 124 E CB 0.247 30.042 29.700 0.159 0.000 0.863 124 E HN 0.405 nan 8.360 nan 0.000 0.520 125 S N 0.022 115.711 115.700 -0.018 0.000 2.559 125 S HA 0.045 4.516 4.470 0.001 0.000 0.226 125 S C 0.711 175.296 174.600 -0.025 0.000 1.000 125 S CA -0.304 57.887 58.200 -0.016 0.000 0.948 125 S CB 0.567 63.748 63.200 -0.031 0.000 0.870 125 S HN 0.184 nan 8.310 nan 0.000 0.497 126 S N 2.599 118.264 115.700 -0.059 0.000 2.617 126 S HA 0.474 4.945 4.470 0.001 0.000 0.269 126 S C 0.307 174.865 174.600 -0.070 0.000 1.292 126 S CA -1.056 57.108 58.200 -0.059 0.000 1.010 126 S CB 0.610 63.754 63.200 -0.093 0.000 0.944 126 S HN 0.547 nan 8.310 nan 0.000 0.536 127 R N 0.367 120.835 120.500 -0.054 0.000 2.905 127 R HA 0.183 4.523 4.340 0.001 0.000 0.273 127 R C 0.777 176.981 176.300 -0.160 0.000 1.033 127 R CA -0.558 55.489 56.100 -0.087 0.000 1.182 127 R CB -0.314 29.939 30.300 -0.078 0.000 1.097 127 R HN 0.377 nan 8.270 nan 0.000 0.504 128 V N 0.443 120.197 119.914 -0.268 0.000 2.252 128 V HA -0.285 3.836 4.120 0.001 0.000 0.249 128 V C 2.195 178.153 176.094 -0.226 0.000 1.056 128 V CA 1.941 64.043 62.300 -0.331 0.000 1.022 128 V CB -0.903 30.532 31.823 -0.646 0.000 0.641 128 V HN 0.669 nan 8.190 nan 0.000 0.445 129 F N 1.034 120.850 119.950 -0.224 0.000 2.091 129 F HA -0.223 4.305 4.527 0.001 0.000 0.299 129 F C 2.652 178.478 175.800 0.044 0.000 1.103 129 F CA 2.047 60.001 58.000 -0.078 0.000 1.228 129 F CB -1.712 37.255 39.000 -0.055 0.000 0.984 129 F HN 0.132 nan 8.300 nan 0.000 0.477 130 T N -0.405 114.236 114.554 0.144 0.000 2.746 130 T HA -0.171 4.180 4.350 0.001 0.000 0.267 130 T C 2.091 176.755 174.700 -0.060 0.000 1.039 130 T CA 1.356 63.493 62.100 0.060 0.000 1.142 130 T CB -0.239 68.604 68.868 -0.042 0.000 0.866 130 T HN 0.199 nan 8.240 nan 0.000 0.444 131 R N 0.288 120.651 120.500 -0.228 0.000 2.148 131 R HA 0.170 4.510 4.340 0.001 0.000 0.223 131 R C 2.496 178.589 176.300 -0.346 0.000 1.088 131 R CA 0.835 56.607 56.100 -0.547 0.000 0.985 131 R CB -0.265 29.541 30.300 -0.823 0.000 0.880 131 R HN 0.397 nan 8.270 nan 0.000 0.451 132 M N -0.620 118.874 119.600 -0.177 0.000 2.156 132 M HA -0.139 4.341 4.480 0.001 0.000 0.264 132 M C 1.341 177.507 176.300 -0.224 0.000 1.067 132 M CA 1.681 56.837 55.300 -0.241 0.000 1.131 132 M CB -0.077 32.471 32.600 -0.085 0.000 1.368 132 M HN 0.154 nan 8.290 nan 0.000 0.416 133 W N 0.875 122.142 121.300 -0.054 0.000 2.358 133 W HA -0.171 4.489 4.660 0.001 0.000 0.303 133 W C 2.078 178.567 176.519 -0.049 0.000 1.208 133 W CA 1.180 58.526 57.345 0.001 0.000 1.274 133 W CB -0.375 29.093 29.460 0.013 0.000 1.138 133 W HN 0.190 nan 8.180 nan 0.000 0.515 134 L N -0.347 120.953 121.223 0.128 0.000 2.131 134 L HA -0.189 4.151 4.340 0.001 0.000 0.210 134 L C 2.580 179.459 176.870 0.015 0.000 1.092 134 L CA 1.187 56.064 54.840 0.061 0.000 0.759 134 L CB -0.988 41.061 42.059 -0.016 0.000 0.903 134 L HN -0.003 nan 8.230 nan 0.000 0.435 135 A N -0.055 122.667 122.820 -0.162 0.000 1.902 135 A HA -0.171 4.149 4.320 0.001 0.000 0.217 135 A C 2.215 179.592 177.584 -0.345 0.000 1.181 135 A CA 1.356 53.133 52.037 -0.433 0.000 0.623 135 A CB -0.665 17.663 19.000 -1.119 0.000 0.818 135 A HN 0.355 nan 8.150 nan 0.000 0.443 136 L N -0.100 121.020 121.223 -0.172 0.000 2.131 136 L HA -0.144 4.196 4.340 0.001 0.000 0.210 136 L C 2.072 179.132 176.870 0.317 0.000 1.092 136 L CA 1.416 56.368 54.840 0.187 0.000 0.759 136 L CB -0.242 41.941 42.059 0.206 0.000 0.903 136 L HN 0.455 nan 8.230 nan 0.000 0.435 137 V N -3.808 116.256 119.914 0.249 0.000 3.444 137 V HA 0.487 4.608 4.120 0.001 0.000 0.308 137 V C 1.255 177.472 176.094 0.205 0.000 1.371 137 V CA 0.253 62.723 62.300 0.285 0.000 1.141 137 V CB -0.378 31.572 31.823 0.211 0.000 1.037 137 V HN 0.458 nan 8.190 nan 0.000 0.433 138 G N 0.949 109.844 108.800 0.157 0.000 2.148 138 G HA2 -0.222 3.739 3.960 0.001 0.000 0.254 138 G HA3 -0.222 3.739 3.960 0.001 0.000 0.254 138 G C 0.285 175.269 174.900 0.140 0.000 0.981 138 G CA 0.439 45.620 45.100 0.134 0.000 0.670 138 G HN 0.561 nan 8.290 nan 0.000 0.528 139 E N -1.018 119.276 120.200 0.157 0.000 2.394 139 E HA 0.371 4.722 4.350 0.001 0.000 0.191 139 E C -0.278 176.525 176.600 0.338 0.000 1.044 139 E CA -0.194 56.334 56.400 0.213 0.000 0.939 139 E CB 0.229 30.030 29.700 0.170 0.000 1.089 139 E HN 0.708 nan 8.360 nan 0.000 0.456 140 Y N 0.452 120.805 120.300 0.088 0.000 2.457 140 Y HA 0.170 4.721 4.550 0.001 0.000 0.322 140 Y C -2.654 173.249 175.900 0.004 0.000 1.218 140 Y CA -1.915 56.248 58.100 0.105 0.000 1.116 140 Y CB 1.673 40.156 38.460 0.037 0.000 1.335 140 Y HN -0.136 nan 8.280 nan 0.000 0.452 141 P HA -0.027 nan 4.420 nan 0.000 0.267 141 P C 0.160 177.449 177.300 -0.018 0.000 1.205 141 P CA 0.406 63.402 63.100 -0.174 0.000 0.765 141 P CB 0.825 32.364 31.700 -0.268 0.000 0.828 142 W N 1.959 123.300 121.300 0.068 0.000 2.388 142 W HA -0.120 4.541 4.660 0.001 0.000 0.294 142 W C 2.064 178.692 176.519 0.181 0.000 1.212 142 W CA 0.807 58.234 57.345 0.136 0.000 1.271 142 W CB -0.358 29.151 29.460 0.082 0.000 1.126 142 W HN 0.414 nan 8.180 nan 0.000 0.535 143 E N 0.250 120.661 120.200 0.353 0.000 2.273 143 E HA -0.200 4.150 4.350 0.001 0.000 0.198 143 E C 1.412 178.045 176.600 0.055 0.000 1.002 143 E CA 1.237 57.802 56.400 0.274 0.000 0.828 143 E CB -0.305 29.467 29.700 0.121 0.000 0.747 143 E HN 0.228 nan 8.360 nan 0.000 0.491 144 K N 0.294 120.741 120.400 0.078 0.000 2.387 144 K HA 0.153 4.474 4.320 0.001 0.000 0.198 144 K C -0.379 176.368 176.600 0.246 0.000 1.022 144 K CA 0.024 56.345 56.287 0.056 0.000 1.128 144 K CB 0.953 33.421 32.500 -0.054 0.000 0.853 144 K HN -0.033 nan 8.250 nan 0.000 0.523 145 V N 3.117 123.254 119.914 0.372 0.000 2.398 145 V HA 0.198 4.319 4.120 0.001 0.000 0.286 145 V C -2.385 173.980 176.094 0.452 0.000 1.026 145 V CA -2.501 60.028 62.300 0.383 0.000 0.868 145 V CB 1.263 33.317 31.823 0.386 0.000 0.982 145 V HN -0.006 nan 8.190 nan 0.000 0.443 146 P HA 0.027 nan 4.420 nan 0.000 0.261 146 P C -0.431 177.080 177.300 0.351 0.000 1.173 146 P CA 0.122 63.441 63.100 0.366 0.000 0.760 146 P CB 0.286 32.158 31.700 0.286 0.000 0.783 147 M N 4.909 124.654 119.600 0.241 0.000 2.233 147 M HA 0.343 4.823 4.480 0.001 0.000 0.355 147 M C -1.312 174.948 176.300 -0.066 0.000 1.191 147 M CA -0.073 55.210 55.300 -0.027 0.000 1.101 147 M CB 0.811 33.231 32.600 -0.299 0.000 1.592 147 M HN -0.017 nan 8.290 nan 0.000 0.461 148 V N 8.231 128.036 119.914 -0.182 0.000 2.409 148 V HA 0.580 4.701 4.120 0.001 0.000 0.290 148 V C -2.314 173.627 176.094 -0.255 0.000 1.017 148 V CA -1.098 61.035 62.300 -0.278 0.000 0.841 148 V CB 1.497 33.001 31.823 -0.532 0.000 1.003 148 V HN 0.810 nan 8.190 nan 0.000 0.426 149 P HA 0.399 nan 4.420 nan 0.000 0.290 149 P C -2.550 174.625 177.300 -0.209 0.000 1.275 149 P CA -2.160 60.833 63.100 -0.179 0.000 0.841 149 P CB 2.166 33.815 31.700 -0.085 0.000 1.042 150 P HA -0.193 nan 4.420 nan 0.000 0.216 150 P C 1.163 178.270 177.300 -0.322 0.000 1.150 150 P CA 1.658 64.605 63.100 -0.254 0.000 0.843 150 P CB -0.065 31.510 31.700 -0.207 0.000 0.787 151 E N -0.714 119.353 120.200 -0.222 0.000 2.273 151 E HA -0.171 4.180 4.350 0.001 0.000 0.198 151 E C 1.824 178.298 176.600 -0.209 0.000 1.002 151 E CA 0.473 56.748 56.400 -0.209 0.000 0.828 151 E CB -1.134 28.642 29.700 0.127 0.000 0.747 151 E HN 0.305 nan 8.360 nan 0.000 0.491 152 I N 0.013 120.467 120.570 -0.193 0.000 2.502 152 I HA -0.281 3.889 4.170 0.001 0.000 0.258 152 I C 1.178 177.173 176.117 -0.204 0.000 1.172 152 I CA 0.938 62.145 61.300 -0.156 0.000 1.430 152 I CB 0.078 37.952 38.000 -0.210 0.000 1.086 152 I HN 0.152 nan 8.210 nan 0.000 0.440 153 M N -0.067 119.315 119.600 -0.364 0.000 2.539 153 M HA -0.142 4.339 4.480 0.001 0.000 0.261 153 M C 1.549 177.705 176.300 -0.241 0.000 1.069 153 M CA 1.379 56.449 55.300 -0.383 0.000 1.081 153 M CB -1.120 31.173 32.600 -0.511 0.000 1.412 153 M HN 0.240 nan 8.290 nan 0.000 0.482 154 F N -0.192 119.746 119.950 -0.020 0.000 2.569 154 F HA 0.188 4.716 4.527 0.001 0.000 0.295 154 F C 1.013 176.817 175.800 0.006 0.000 1.115 154 F CA -0.619 57.379 58.000 -0.004 0.000 1.450 154 F CB -0.864 38.137 39.000 0.001 0.000 1.107 154 F HN -0.081 nan 8.300 nan 0.000 0.563 155 L N 0.647 121.970 121.223 0.167 0.000 2.559 155 L HA 0.178 4.518 4.340 0.001 0.000 0.274 155 L C 1.215 178.155 176.870 0.115 0.000 1.205 155 L CA -0.150 54.763 54.840 0.120 0.000 0.907 155 L CB -0.484 41.630 42.059 0.092 0.000 1.153 155 L HN 0.124 nan 8.230 nan 0.000 0.490 156 G N 2.344 111.201 108.800 0.094 0.000 2.616 156 G HA2 0.132 4.092 3.960 0.001 0.000 0.268 156 G HA3 0.132 4.092 3.960 0.001 0.000 0.268 156 G C 0.695 175.638 174.900 0.073 0.000 1.213 156 G CA -0.563 44.582 45.100 0.075 0.000 0.926 156 G HN 0.762 nan 8.290 nan 0.000 0.523 157 K N -0.173 120.246 120.400 0.031 0.000 2.127 157 K HA -0.143 4.178 4.320 0.001 0.000 0.208 157 K C 1.305 177.928 176.600 0.037 0.000 1.047 157 K CA 1.332 57.619 56.287 0.000 0.000 0.927 157 K CB -0.035 32.420 32.500 -0.074 0.000 0.716 157 K HN 0.476 nan 8.250 nan 0.000 0.450 158 R N 1.037 121.557 120.500 0.033 0.000 3.057 158 R HA 0.318 4.659 4.340 0.001 0.000 0.291 158 R C -0.678 175.646 176.300 0.041 0.000 1.394 158 R CA 0.037 56.158 56.100 0.036 0.000 1.630 158 R CB -0.026 30.286 30.300 0.020 0.000 1.268 158 R HN 0.029 nan 8.270 nan 0.000 0.621 159 M N 2.066 121.700 119.600 0.057 0.000 2.501 159 M HA 0.412 4.892 4.480 0.001 0.000 0.293 159 M C -2.588 173.748 176.300 0.062 0.000 1.192 159 M CA -2.119 53.214 55.300 0.055 0.000 0.886 159 M CB 3.594 36.231 32.600 0.062 0.000 1.710 159 M HN 0.012 nan 8.290 nan 0.000 0.457 160 P HA 0.016 nan 4.420 nan 0.000 0.260 160 P C 0.190 177.533 177.300 0.071 0.000 1.185 160 P CA 0.431 63.562 63.100 0.053 0.000 0.763 160 P CB 0.476 32.207 31.700 0.051 0.000 0.776 161 L N -0.985 120.276 121.223 0.064 0.000 4.759 161 L HA -0.278 4.062 4.340 0.001 0.000 0.419 161 L C 0.791 177.780 176.870 0.199 0.000 1.093 161 L CA 0.636 55.547 54.840 0.119 0.000 1.037 161 L CB -2.009 40.125 42.059 0.125 0.000 2.095 161 L HN 0.565 nan 8.230 nan 0.000 0.739 162 N N 1.026 119.820 118.700 0.157 0.000 2.415 162 N HA 0.233 4.973 4.740 0.001 0.000 0.248 162 N C 1.427 177.049 175.510 0.187 0.000 1.271 162 N CA 0.162 53.301 53.050 0.149 0.000 0.913 162 N CB 0.397 38.984 38.487 0.167 0.000 1.129 162 N HN 0.364 nan 8.380 nan 0.000 0.444 163 I N -3.156 117.416 120.570 0.004 0.000 2.953 163 I HA -0.178 3.992 4.170 0.001 0.000 0.271 163 I C 0.112 176.096 176.117 -0.221 0.000 1.286 163 I CA 1.065 62.213 61.300 -0.253 0.000 1.449 163 I CB -0.568 37.038 38.000 -0.656 0.000 1.086 163 I HN 0.480 nan 8.210 nan 0.000 0.483 164 Y N 1.362 121.724 120.300 0.104 0.000 2.493 164 Y HA 0.226 4.776 4.550 0.001 0.000 0.275 164 Y C 1.941 177.916 175.900 0.125 0.000 1.183 164 Y CA 0.051 58.225 58.100 0.124 0.000 1.258 164 Y CB -0.021 38.502 38.460 0.105 0.000 1.108 164 Y HN 0.269 nan 8.280 nan 0.000 0.521 165 E N -0.625 119.714 120.200 0.231 0.000 2.452 165 E HA 0.072 4.423 4.350 0.001 0.000 0.197 165 E C -0.463 176.099 176.600 -0.064 0.000 1.022 165 E CA 0.028 56.465 56.400 0.062 0.000 0.890 165 E CB 0.310 29.990 29.700 -0.034 0.000 0.918 165 E HN 0.185 nan 8.360 nan 0.000 0.496 166 F N 0.881 120.763 119.950 -0.114 0.000 2.378 166 F HA 0.378 4.905 4.527 0.001 0.000 0.325 166 F C 1.345 176.985 175.800 -0.268 0.000 1.097 166 F CA -0.755 57.131 58.000 -0.190 0.000 1.079 166 F CB 0.612 39.475 39.000 -0.228 0.000 1.240 166 F HN -0.218 nan 8.300 nan 0.000 0.519 167 G N 0.301 108.937 108.800 -0.274 0.000 2.527 167 G HA2 0.301 4.262 3.960 0.001 0.000 0.248 167 G HA3 0.301 4.262 3.960 0.001 0.000 0.248 167 G C 0.809 175.285 174.900 -0.707 0.000 1.231 167 G CA 0.015 44.706 45.100 -0.682 0.000 0.838 167 G HN 0.814 nan 8.290 nan 0.000 0.570 168 S N 0.779 116.192 115.700 -0.477 0.000 2.390 168 S HA -0.336 4.135 4.470 0.001 0.000 0.234 168 S C 1.940 176.343 174.600 -0.327 0.000 1.063 168 S CA 2.500 60.503 58.200 -0.328 0.000 1.108 168 S CB -1.014 61.922 63.200 -0.441 0.000 0.975 168 S HN 1.033 nan 8.310 nan 0.000 0.442 169 W N 2.642 123.892 121.300 -0.082 0.000 2.363 169 W HA 0.304 4.965 4.660 0.001 0.000 0.296 169 W C 2.446 179.032 176.519 0.113 0.000 1.212 169 W CA 0.565 57.922 57.345 0.021 0.000 1.260 169 W CB -1.022 28.542 29.460 0.174 0.000 1.131 169 W HN 0.388 nan 8.180 nan 0.000 0.530 170 A N 1.377 124.103 122.820 -0.157 0.000 1.872 170 A HA -0.095 4.225 4.320 0.001 0.000 0.214 170 A C 2.259 179.784 177.584 -0.098 0.000 1.187 170 A CA 1.849 53.927 52.037 0.068 0.000 0.614 170 A CB -1.043 18.002 19.000 0.074 0.000 0.826 170 A HN 0.360 nan 8.150 nan 0.000 0.442 171 R N -0.315 120.044 120.500 -0.235 0.000 2.154 171 R HA -0.249 4.092 4.340 0.001 0.000 0.236 171 R C 2.313 178.381 176.300 -0.388 0.000 1.121 171 R CA 2.152 58.005 56.100 -0.412 0.000 0.915 171 R CB -0.623 29.495 30.300 -0.303 0.000 0.856 171 R HN 0.435 nan 8.270 nan 0.000 0.431 172 A N -0.443 122.317 122.820 -0.099 0.000 1.986 172 A HA -0.184 4.136 4.320 0.001 0.000 0.220 172 A C 2.196 179.798 177.584 0.031 0.000 1.171 172 A CA 2.263 54.367 52.037 0.112 0.000 0.640 172 A CB -0.835 18.368 19.000 0.339 0.000 0.811 172 A HN 0.596 nan 8.150 nan 0.000 0.451 173 T N -0.623 113.965 114.554 0.056 0.000 2.857 173 T HA -0.063 4.287 4.350 0.001 0.000 0.266 173 T C 1.872 176.526 174.700 -0.077 0.000 1.048 173 T CA 1.352 63.535 62.100 0.139 0.000 1.139 173 T CB -0.342 68.725 68.868 0.333 0.000 0.874 173 T HN 0.190 nan 8.240 nan 0.000 0.455 174 V N 1.536 121.295 119.914 -0.259 0.000 2.343 174 V HA -0.153 3.967 4.120 0.001 0.000 0.247 174 V C 2.678 178.495 176.094 -0.461 0.000 1.051 174 V CA 1.344 63.353 62.300 -0.486 0.000 1.036 174 V CB -0.813 30.561 31.823 -0.748 0.000 0.654 174 V HN 0.318 nan 8.190 nan 0.000 0.451 175 V N 0.474 120.108 119.914 -0.467 0.000 2.261 175 V HA -0.251 3.869 4.120 0.001 0.000 0.246 175 V C 2.760 178.706 176.094 -0.248 0.000 1.047 175 V CA 2.032 64.078 62.300 -0.424 0.000 1.015 175 V CB -1.339 30.155 31.823 -0.548 0.000 0.642 175 V HN 0.543 nan 8.190 nan 0.000 0.446 176 A N -0.116 122.606 122.820 -0.163 0.000 1.883 176 A HA -0.192 4.129 4.320 0.001 0.000 0.217 176 A C 2.247 179.753 177.584 -0.130 0.000 1.186 176 A CA 2.072 54.045 52.037 -0.107 0.000 0.624 176 A CB -0.614 18.370 19.000 -0.027 0.000 0.822 176 A HN 0.508 nan 8.150 nan 0.000 0.444 177 L N 0.313 121.419 121.223 -0.195 0.000 2.109 177 L HA -0.161 4.179 4.340 0.001 0.000 0.207 177 L C 3.037 179.752 176.870 -0.259 0.000 1.086 177 L CA 1.379 56.069 54.840 -0.249 0.000 0.760 177 L CB -0.533 41.317 42.059 -0.347 0.000 0.910 177 L HN 0.643 nan 8.230 nan 0.000 0.437 178 S N 0.519 116.038 115.700 -0.302 0.000 2.387 178 S HA -0.238 4.232 4.470 0.001 0.000 0.230 178 S C 1.886 176.340 174.600 -0.242 0.000 1.035 178 S CA 1.393 59.417 58.200 -0.292 0.000 1.014 178 S CB -0.765 62.248 63.200 -0.313 0.000 0.836 178 S HN 0.410 nan 8.310 nan 0.000 0.466 179 I N 1.188 121.637 120.570 -0.201 0.000 2.252 179 I HA -0.098 4.073 4.170 0.001 0.000 0.245 179 I C 2.444 178.458 176.117 -0.171 0.000 1.102 179 I CA 1.054 62.255 61.300 -0.164 0.000 1.385 179 I CB -0.512 37.420 38.000 -0.113 0.000 1.064 179 I HN 0.243 nan 8.210 nan 0.000 0.414 180 V N 0.670 120.490 119.914 -0.156 0.000 2.379 180 V HA -0.232 3.888 4.120 0.001 0.000 0.245 180 V C 2.401 178.318 176.094 -0.294 0.000 1.044 180 V CA 1.616 63.830 62.300 -0.144 0.000 1.036 180 V CB -0.470 31.326 31.823 -0.047 0.000 0.664 180 V HN 0.387 nan 8.190 nan 0.000 0.453 181 M N -0.404 119.010 119.600 -0.310 0.000 2.394 181 M HA -0.090 4.390 4.480 0.001 0.000 0.264 181 M C 2.431 178.445 176.300 -0.478 0.000 1.073 181 M CA 1.326 56.351 55.300 -0.459 0.000 1.111 181 M CB -0.516 31.921 32.600 -0.273 0.000 1.401 181 M HN 0.405 nan 8.290 nan 0.000 0.448 182 S N 0.643 116.126 115.700 -0.362 0.000 2.368 182 S HA -0.086 4.385 4.470 0.001 0.000 0.225 182 S C 1.980 176.359 174.600 -0.368 0.000 1.030 182 S CA 1.154 59.150 58.200 -0.340 0.000 0.999 182 S CB 0.044 63.089 63.200 -0.259 0.000 0.844 182 S HN 0.373 nan 8.310 nan 0.000 0.459 183 R N 0.589 120.876 120.500 -0.355 0.000 2.265 183 R HA 0.267 4.608 4.340 0.001 0.000 0.194 183 R C 0.147 176.171 176.300 -0.461 0.000 0.931 183 R CA 0.087 55.989 56.100 -0.330 0.000 1.032 183 R CB -0.879 29.287 30.300 -0.224 0.000 0.980 183 R HN 0.568 nan 8.270 nan 0.000 0.497 184 Q N 1.559 120.914 119.800 -0.742 0.000 2.439 184 Q HA -0.140 4.201 4.340 0.001 0.000 0.361 184 Q C -2.109 173.490 176.000 -0.668 0.000 1.408 184 Q CA 0.133 55.138 55.803 -1.331 0.000 1.052 184 Q CB -1.159 26.799 28.738 -1.300 0.000 1.233 184 Q HN 0.287 nan 8.270 nan 0.000 0.347 185 P HA 0.385 nan 4.420 nan 0.000 0.279 185 P C -0.473 176.817 177.300 -0.016 0.000 1.252 185 P CA -0.407 62.575 63.100 -0.198 0.000 0.811 185 P CB 1.498 33.075 31.700 -0.204 0.000 1.035 186 V N 2.332 122.063 119.914 -0.306 0.000 2.569 186 V HA 0.299 4.420 4.120 0.001 0.000 0.301 186 V C -0.795 175.083 176.094 -0.360 0.000 1.044 186 V CA -0.272 61.952 62.300 -0.127 0.000 0.874 186 V CB 1.240 33.101 31.823 0.063 0.000 1.002 186 V HN 0.336 nan 8.190 nan 0.000 0.424 187 F N 5.712 125.768 119.950 0.177 0.000 2.307 187 F HA 0.488 5.015 4.527 0.001 0.000 0.369 187 F C -2.211 173.760 175.800 0.284 0.000 1.076 187 F CA -2.658 55.441 58.000 0.165 0.000 1.149 187 F CB 1.173 40.232 39.000 0.099 0.000 1.410 187 F HN 0.291 nan 8.300 nan 0.000 0.481 188 P HA 0.000 nan 4.420 nan 0.000 0.265 188 P C -0.266 177.239 177.300 0.342 0.000 1.187 188 P CA 0.316 63.580 63.100 0.273 0.000 0.766 188 P CB 0.680 32.489 31.700 0.182 0.000 0.820 189 L N 5.078 126.422 121.223 0.201 0.000 2.379 189 L HA 0.459 4.800 4.340 0.001 0.000 0.269 189 L C -1.687 175.257 176.870 0.123 0.000 1.084 189 L CA -2.204 52.697 54.840 0.103 0.000 0.802 189 L CB 0.635 42.727 42.059 0.055 0.000 1.175 189 L HN 0.267 nan 8.230 nan 0.000 0.448 190 P HA 0.096 nan 4.420 nan 0.000 0.274 190 P C -0.216 177.111 177.300 0.046 0.000 1.231 190 P CA -0.333 62.808 63.100 0.067 0.000 0.790 190 P CB 0.955 32.671 31.700 0.027 0.000 0.951 191 E N 0.997 121.223 120.200 0.043 0.000 2.147 191 E HA -0.238 4.113 4.350 0.001 0.000 0.199 191 E C 2.117 178.734 176.600 0.028 0.000 1.005 191 E CA 1.382 57.806 56.400 0.041 0.000 0.810 191 E CB -0.387 29.335 29.700 0.036 0.000 0.736 191 E HN 0.432 nan 8.360 nan 0.000 0.460 192 R N -0.014 120.489 120.500 0.005 0.000 2.133 192 R HA -0.164 4.176 4.340 0.001 0.000 0.247 192 R C 1.546 177.838 176.300 -0.014 0.000 1.151 192 R CA 1.619 57.710 56.100 -0.015 0.000 0.971 192 R CB -0.132 30.138 30.300 -0.050 0.000 0.866 192 R HN 0.249 nan 8.270 nan 0.000 0.447 193 A N 0.527 123.343 122.820 -0.006 0.000 2.390 193 A HA 0.184 4.505 4.320 0.001 0.000 0.232 193 A C -0.132 177.485 177.584 0.056 0.000 1.233 193 A CA -0.449 51.598 52.037 0.016 0.000 0.907 193 A CB 0.183 19.208 19.000 0.041 0.000 0.967 193 A HN 0.056 nan 8.150 nan 0.000 0.512 194 R N 0.220 120.761 120.500 0.067 0.000 2.638 194 R HA 0.120 4.460 4.340 0.001 0.000 0.268 194 R C 0.122 176.488 176.300 0.111 0.000 1.006 194 R CA 0.483 56.640 56.100 0.094 0.000 1.088 194 R CB 0.020 30.376 30.300 0.093 0.000 0.950 194 R HN 0.366 nan 8.270 nan 0.000 0.419 195 V N 0.480 120.476 119.914 0.137 0.000 2.592 195 V HA 0.180 4.301 4.120 0.001 0.000 0.278 195 V C -1.514 174.683 176.094 0.170 0.000 1.087 195 V CA -1.305 61.097 62.300 0.170 0.000 1.282 195 V CB 0.946 32.890 31.823 0.202 0.000 1.543 195 V HN 0.529 nan 8.190 nan 0.000 0.606 196 P HA -0.236 nan 4.420 nan 0.000 0.216 196 P C 1.471 178.915 177.300 0.239 0.000 1.150 196 P CA 1.995 65.253 63.100 0.264 0.000 0.837 196 P CB 0.281 32.092 31.700 0.186 0.000 0.786 197 E N 0.668 120.961 120.200 0.155 0.000 2.448 197 E HA -0.162 4.188 4.350 0.001 0.000 0.203 197 E C 1.807 178.424 176.600 0.028 0.000 1.046 197 E CA 0.753 57.214 56.400 0.102 0.000 0.871 197 E CB -1.135 28.624 29.700 0.098 0.000 0.790 197 E HN 0.359 nan 8.360 nan 0.000 0.545 198 L N -0.444 120.763 121.223 -0.026 0.000 2.552 198 L HA -0.006 4.334 4.340 0.001 0.000 0.227 198 L C 1.342 178.079 176.870 -0.221 0.000 1.146 198 L CA 0.476 55.206 54.840 -0.183 0.000 0.858 198 L CB -0.200 41.704 42.059 -0.258 0.000 0.969 198 L HN 0.037 nan 8.230 nan 0.000 0.451 199 Y N -0.746 119.573 120.300 0.032 0.000 2.524 199 Y HA 0.083 4.634 4.550 0.001 0.000 0.270 199 Y C 1.101 177.011 175.900 0.015 0.000 1.094 199 Y CA -0.505 57.616 58.100 0.034 0.000 1.276 199 Y CB 0.207 38.696 38.460 0.048 0.000 1.130 199 Y HN 0.047 nan 8.280 nan 0.000 0.536 200 E N 1.524 121.818 120.200 0.156 0.000 1.800 200 E HA 0.095 4.445 4.350 0.001 0.000 0.262 200 E C -0.566 176.061 176.600 0.044 0.000 1.219 200 E CA 0.374 56.827 56.400 0.088 0.000 1.051 200 E CB -0.204 29.538 29.700 0.070 0.000 1.074 200 E HN 0.066 nan 8.360 nan 0.000 0.433 201 T N 0.829 115.410 114.554 0.046 0.000 2.889 201 T HA 0.074 4.424 4.350 0.001 0.000 0.315 201 T C -0.009 174.705 174.700 0.024 0.000 1.291 201 T CA -0.901 61.209 62.100 0.018 0.000 1.028 201 T CB 1.253 70.118 68.868 -0.006 0.000 1.235 201 T HN 0.376 nan 8.240 nan 0.000 0.491 202 D N 0.330 120.738 120.400 0.013 0.000 2.380 202 D HA 0.055 4.696 4.640 0.001 0.000 0.212 202 D C 0.927 177.233 176.300 0.011 0.000 1.021 202 D CA 0.196 54.205 54.000 0.015 0.000 0.884 202 D CB -0.205 40.602 40.800 0.013 0.000 1.001 202 D HN 0.278 nan 8.370 nan 0.000 0.506 203 V N 3.962 123.877 119.914 0.002 0.000 2.843 203 V HA 0.020 4.141 4.120 0.001 0.000 0.305 203 V C -1.802 174.295 176.094 0.005 0.000 1.120 203 V CA -0.493 61.805 62.300 -0.003 0.000 1.254 203 V CB 0.222 32.032 31.823 -0.021 0.000 0.901 203 V HN 0.189 nan 8.190 nan 0.000 0.503 204 P HA 0.185 nan 4.420 nan 0.000 0.271 204 P C -2.547 174.762 177.300 0.015 0.000 1.226 204 P CA -1.460 61.650 63.100 0.016 0.000 0.765 204 P CB 0.365 32.075 31.700 0.017 0.000 0.835 205 P HA 0.039 nan 4.420 nan 0.000 0.266 205 P C -0.065 177.251 177.300 0.026 0.000 1.215 205 P CA 0.210 63.326 63.100 0.027 0.000 0.763 205 P CB 0.362 32.092 31.700 0.050 0.000 0.806 206 R N 3.662 124.172 120.500 0.017 0.000 2.369 206 R HA 0.414 4.755 4.340 0.001 0.000 0.310 206 R C 0.026 176.343 176.300 0.028 0.000 1.141 206 R CA -0.815 55.300 56.100 0.025 0.000 1.116 206 R CB 0.786 31.099 30.300 0.022 0.000 1.135 206 R HN 0.363 nan 8.270 nan 0.000 0.529 207 R N 2.602 123.123 120.500 0.035 0.000 2.441 207 R HA 0.160 4.501 4.340 0.001 0.000 0.284 207 R C -0.403 175.920 176.300 0.038 0.000 1.070 207 R CA -0.514 55.608 56.100 0.036 0.000 1.047 207 R CB 0.986 31.311 30.300 0.043 0.000 1.016 207 R HN 0.547 nan 8.270 nan 0.000 0.477 208 R N 1.981 122.501 120.500 0.033 0.000 2.410 208 R HA 0.266 4.607 4.340 0.001 0.000 0.288 208 R C -0.355 175.961 176.300 0.026 0.000 1.051 208 R CA -0.095 56.027 56.100 0.037 0.000 1.021 208 R CB 1.196 31.522 30.300 0.043 0.000 1.032 208 R HN 0.818 nan 8.270 nan 0.000 0.481 209 G N 1.271 110.089 108.800 0.030 0.000 2.613 209 G HA2 0.515 4.475 3.960 0.001 0.000 0.303 209 G HA3 0.515 4.475 3.960 0.001 0.000 0.303 209 G C -0.957 173.945 174.900 0.003 0.000 1.312 209 G CA -0.633 44.484 45.100 0.028 0.000 1.036 209 G HN 0.808 nan 8.290 nan 0.000 0.513 210 A N 0.133 122.954 122.820 0.002 0.000 2.567 210 A HA 0.254 4.575 4.320 0.001 0.000 0.240 210 A C 1.745 179.292 177.584 -0.061 0.000 1.053 210 A CA 0.036 52.047 52.037 -0.043 0.000 0.755 210 A CB 0.251 19.228 19.000 -0.038 0.000 0.978 210 A HN 0.600 nan 8.150 nan 0.000 0.507 211 K N 2.590 122.927 120.400 -0.106 0.000 2.127 211 K HA -0.230 4.091 4.320 0.001 0.000 0.212 211 K C 1.611 178.143 176.600 -0.113 0.000 1.050 211 K CA 2.174 58.393 56.287 -0.114 0.000 0.929 211 K CB -0.482 31.925 32.500 -0.156 0.000 0.715 211 K HN 0.857 nan 8.250 nan 0.000 0.457 212 G N -0.312 108.369 108.800 -0.198 0.000 3.337 212 G HA2 0.381 4.342 3.960 0.001 0.000 0.246 212 G HA3 0.381 4.342 3.960 0.001 0.000 0.246 212 G C 0.073 175.024 174.900 0.086 0.000 1.131 212 G CA 0.362 45.361 45.100 -0.168 0.000 0.773 212 G HN 0.506 nan 8.290 nan 0.000 0.544 213 G N -1.353 107.520 108.800 0.120 0.000 2.911 213 G HA2 0.440 4.401 3.960 0.001 0.000 0.686 213 G HA3 0.440 4.401 3.960 0.001 0.000 0.686 213 G C 0.079 175.157 174.900 0.296 0.000 1.136 213 G CA -0.414 44.807 45.100 0.202 0.000 0.764 213 G HN 0.946 nan 8.290 nan 0.000 0.626 214 G N 0.186 109.110 108.800 0.206 0.000 2.339 214 G HA2 0.731 4.692 3.960 0.001 0.000 0.287 214 G HA3 0.731 4.692 3.960 0.001 0.000 0.287 214 G C 0.599 175.637 174.900 0.231 0.000 1.163 214 G CA 0.453 45.694 45.100 0.235 0.000 0.872 214 G HN 1.592 nan 8.290 nan 0.000 0.464 215 G N 2.361 111.344 108.800 0.305 0.000 2.319 215 G HA2 0.367 4.328 3.960 0.001 0.000 0.308 215 G HA3 0.367 4.328 3.960 0.001 0.000 0.308 215 G C 0.998 175.823 174.900 -0.126 0.000 1.117 215 G CA -0.660 44.453 45.100 0.023 0.000 0.903 215 G HN 0.831 nan 8.290 nan 0.000 0.436 216 W N 3.809 125.109 121.300 -0.001 0.000 2.401 216 W HA -0.186 4.474 4.660 0.001 0.000 0.264 216 W C 0.633 177.113 176.519 -0.066 0.000 1.209 216 W CA 0.174 57.514 57.345 -0.009 0.000 1.170 216 W CB -0.693 28.756 29.460 -0.019 0.000 1.134 216 W HN 0.397 nan 8.180 nan 0.000 0.587 217 I N 0.712 120.526 120.570 -1.259 0.000 2.163 217 I HA -0.212 3.958 4.170 0.001 0.000 0.240 217 I C 2.471 178.204 176.117 -0.640 0.000 1.081 217 I CA 1.594 62.128 61.300 -1.277 0.000 1.353 217 I CB -1.394 35.714 38.000 -1.488 0.000 1.054 217 I HN -0.267 nan 8.210 nan 0.000 0.407 218 F N 0.823 120.632 119.950 -0.236 0.000 2.102 218 F HA -0.210 4.317 4.527 0.001 0.000 0.298 218 F C 2.404 178.196 175.800 -0.014 0.000 1.105 218 F CA 1.656 59.606 58.000 -0.083 0.000 1.239 218 F CB -1.264 37.716 39.000 -0.033 0.000 0.991 218 F HN 0.128 nan 8.300 nan 0.000 0.474 219 D N 0.088 120.596 120.400 0.180 0.000 2.133 219 D HA -0.235 4.406 4.640 0.001 0.000 0.192 219 D C 2.197 178.574 176.300 0.128 0.000 1.001 219 D CA 1.695 55.790 54.000 0.159 0.000 0.844 219 D CB -0.222 40.676 40.800 0.164 0.000 0.944 219 D HN 0.177 nan 8.370 nan 0.000 0.447 220 A N -0.282 122.591 122.820 0.089 0.000 1.897 220 A HA -0.049 4.271 4.320 0.001 0.000 0.215 220 A C 2.110 179.738 177.584 0.074 0.000 1.181 220 A CA 1.250 53.343 52.037 0.092 0.000 0.620 220 A CB -0.844 18.216 19.000 0.100 0.000 0.821 220 A HN 0.389 nan 8.150 nan 0.000 0.443 221 L N 0.523 121.770 121.223 0.040 0.000 2.083 221 L HA -0.170 4.171 4.340 0.001 0.000 0.209 221 L C 1.783 178.727 176.870 0.123 0.000 1.083 221 L CA 2.824 57.701 54.840 0.062 0.000 0.752 221 L CB -0.868 41.228 42.059 0.062 0.000 0.899 221 L HN 0.492 nan 8.230 nan 0.000 0.433 222 D N -0.770 119.729 120.400 0.164 0.000 2.084 222 D HA -0.209 4.432 4.640 0.001 0.000 0.194 222 D C 2.251 178.717 176.300 0.276 0.000 0.990 222 D CA 1.592 55.727 54.000 0.225 0.000 0.826 222 D CB 0.003 40.942 40.800 0.230 0.000 0.971 222 D HN 0.347 nan 8.370 nan 0.000 0.453 223 R N 0.372 120.986 120.500 0.189 0.000 2.105 223 R HA -0.107 4.233 4.340 0.001 0.000 0.239 223 R C 2.401 178.806 176.300 0.176 0.000 1.135 223 R CA 1.215 57.410 56.100 0.157 0.000 0.967 223 R CB -0.487 29.875 30.300 0.104 0.000 0.861 223 R HN 0.173 nan 8.270 nan 0.000 0.442 224 A N 1.780 124.686 122.820 0.144 0.000 1.851 224 A HA -0.141 4.179 4.320 0.001 0.000 0.216 224 A C 2.272 179.955 177.584 0.165 0.000 1.195 224 A CA 1.238 53.349 52.037 0.123 0.000 0.622 224 A CB -0.692 18.353 19.000 0.075 0.000 0.831 224 A HN 0.188 nan 8.150 nan 0.000 0.444 225 L N -1.582 119.738 121.223 0.161 0.000 2.079 225 L HA -0.254 4.087 4.340 0.001 0.000 0.210 225 L C 2.550 179.498 176.870 0.130 0.000 1.081 225 L CA 1.782 56.716 54.840 0.157 0.000 0.752 225 L CB -0.636 41.473 42.059 0.083 0.000 0.896 225 L HN 0.513 nan 8.230 nan 0.000 0.433 226 H N -1.133 118.003 119.070 0.109 0.000 2.457 226 H HA -0.067 4.489 4.556 0.001 0.000 0.294 226 H C 2.127 177.506 175.328 0.085 0.000 1.064 226 H CA 1.203 57.302 56.048 0.085 0.000 1.330 226 H CB -0.061 29.752 29.762 0.084 0.000 1.395 226 H HN 0.309 nan 8.280 nan 0.000 0.541 227 G N -0.814 108.122 108.800 0.226 0.000 2.411 227 G HA2 -0.268 3.693 3.960 0.001 0.000 0.213 227 G HA3 -0.268 3.693 3.960 0.001 0.000 0.213 227 G C 1.452 176.469 174.900 0.194 0.000 1.166 227 G CA 0.364 45.569 45.100 0.174 0.000 0.802 227 G HN 0.378 nan 8.290 nan 0.000 0.533 228 Y N 1.486 121.834 120.300 0.080 0.000 2.114 228 Y HA -0.234 4.316 4.550 0.001 0.000 0.282 228 Y C 2.854 178.859 175.900 0.175 0.000 1.165 228 Y CA 2.063 60.224 58.100 0.100 0.000 1.148 228 Y CB -0.621 37.887 38.460 0.081 0.000 0.972 228 Y HN 0.282 nan 8.280 nan 0.000 0.504 229 Q N 0.833 120.609 119.800 -0.040 0.000 2.217 229 Q HA -0.208 4.133 4.340 0.001 0.000 0.209 229 Q C 1.863 177.865 176.000 0.003 0.000 0.988 229 Q CA 2.103 57.783 55.803 -0.204 0.000 0.878 229 Q CB -0.241 28.383 28.738 -0.191 0.000 0.909 229 Q HN 0.499 nan 8.270 nan 0.000 0.424 230 K N -0.554 119.879 120.400 0.055 0.000 2.432 230 K HA 0.051 4.371 4.320 0.001 0.000 0.196 230 K C 0.309 176.923 176.600 0.023 0.000 1.038 230 K CA -0.067 56.249 56.287 0.048 0.000 0.986 230 K CB 0.013 32.541 32.500 0.048 0.000 0.782 230 K HN 0.242 nan 8.250 nan 0.000 0.485 231 L N 0.255 121.470 121.223 -0.014 0.000 2.473 231 L HA -0.055 4.286 4.340 0.001 0.000 0.265 231 L C 1.796 178.489 176.870 -0.294 0.000 1.243 231 L CA 0.054 54.783 54.840 -0.184 0.000 0.822 231 L CB 0.366 42.250 42.059 -0.291 0.000 1.101 231 L HN 0.027 nan 8.230 nan 0.000 0.507 232 S N 0.028 115.576 115.700 -0.253 0.000 2.501 232 S HA 0.080 4.550 4.470 0.001 0.000 0.220 232 S C 0.011 174.438 174.600 -0.290 0.000 0.997 232 S CA -0.003 58.077 58.200 -0.200 0.000 0.919 232 S CB 0.019 63.149 63.200 -0.118 0.000 0.778 232 S HN 0.422 nan 8.310 nan 0.000 0.523 233 V N 0.457 120.095 119.914 -0.460 0.000 2.668 233 V HA 0.628 4.748 4.120 0.001 0.000 0.304 233 V C -1.763 173.988 176.094 -0.571 0.000 1.071 233 V CA -0.967 61.090 62.300 -0.404 0.000 0.894 233 V CB 1.140 32.845 31.823 -0.197 0.000 1.008 233 V HN 0.302 nan 8.190 nan 0.000 0.425 234 H N 5.055 124.060 119.070 -0.107 0.000 2.675 234 H HA 0.529 5.085 4.556 0.001 0.000 0.258 234 H C -2.681 172.645 175.328 -0.004 0.000 1.271 234 H CA -1.713 54.292 56.048 -0.072 0.000 1.462 234 H CB 1.140 30.742 29.762 -0.266 0.000 1.467 234 H HN 0.616 nan 8.280 nan 0.000 0.501 235 P HA -0.163 nan 4.420 nan 0.000 0.261 235 P C -0.073 177.153 177.300 -0.122 0.000 1.173 235 P CA 0.449 63.404 63.100 -0.241 0.000 0.760 235 P CB 0.449 31.849 31.700 -0.499 0.000 0.783 236 F N -0.201 119.821 119.950 0.121 0.000 2.871 236 F HA -0.237 4.291 4.527 0.001 0.000 0.326 236 F C 1.889 177.838 175.800 0.248 0.000 0.675 236 F CA 1.127 59.224 58.000 0.161 0.000 1.188 236 F CB -2.246 36.818 39.000 0.107 0.000 1.567 236 F HN 0.383 nan 8.300 nan 0.000 0.325 237 R N 1.263 121.955 120.500 0.320 0.000 2.090 237 R HA -0.076 4.265 4.340 0.001 0.000 0.228 237 R C 2.320 178.699 176.300 0.132 0.000 1.110 237 R CA 1.611 57.833 56.100 0.203 0.000 0.973 237 R CB -0.260 30.100 30.300 0.101 0.000 0.869 237 R HN 0.442 nan 8.270 nan 0.000 0.440 238 R N 0.268 120.849 120.500 0.134 0.000 2.117 238 R HA -0.169 4.172 4.340 0.001 0.000 0.243 238 R C 1.931 178.296 176.300 0.108 0.000 1.143 238 R CA 1.761 57.915 56.100 0.091 0.000 0.968 238 R CB -0.378 29.978 30.300 0.093 0.000 0.863 238 R HN 0.338 nan 8.270 nan 0.000 0.444 239 A N 0.862 123.799 122.820 0.196 0.000 1.855 239 A HA -0.045 4.276 4.320 0.001 0.000 0.215 239 A C 2.460 180.121 177.584 0.128 0.000 1.191 239 A CA 1.551 53.715 52.037 0.211 0.000 0.613 239 A CB -0.999 18.196 19.000 0.326 0.000 0.829 239 A HN 0.553 nan 8.150 nan 0.000 0.442 240 A N 0.082 122.952 122.820 0.083 0.000 1.903 240 A HA -0.288 4.032 4.320 0.001 0.000 0.219 240 A C 1.901 179.354 177.584 -0.219 0.000 1.191 240 A CA 2.051 53.866 52.037 -0.370 0.000 0.638 240 A CB -0.786 17.986 19.000 -0.380 0.000 0.823 240 A HN 0.682 nan 8.150 nan 0.000 0.451 241 E N -0.364 119.773 120.200 -0.106 0.000 2.012 241 E HA -0.200 4.151 4.350 0.001 0.000 0.197 241 E C 1.912 178.483 176.600 -0.048 0.000 1.007 241 E CA 1.481 57.829 56.400 -0.087 0.000 0.816 241 E CB -0.445 29.220 29.700 -0.060 0.000 0.762 241 E HN 0.707 nan 8.360 nan 0.000 0.451 242 I N 0.987 121.553 120.570 -0.006 0.000 2.502 242 I HA -0.265 3.906 4.170 0.001 0.000 0.258 242 I C 2.417 178.552 176.117 0.030 0.000 1.172 242 I CA 0.744 62.059 61.300 0.024 0.000 1.430 242 I CB -0.321 37.706 38.000 0.045 0.000 1.086 242 I HN 0.061 nan 8.210 nan 0.000 0.440 243 R N 0.813 121.312 120.500 -0.002 0.000 2.093 243 R HA 0.034 4.374 4.340 0.001 0.000 0.224 243 R C 2.380 178.697 176.300 0.029 0.000 1.101 243 R CA 1.387 57.492 56.100 0.008 0.000 0.979 243 R CB -0.657 29.597 30.300 -0.076 0.000 0.877 243 R HN 0.363 nan 8.270 nan 0.000 0.441 244 A N 1.362 124.158 122.820 -0.040 0.000 1.855 244 A HA -0.137 4.184 4.320 0.001 0.000 0.215 244 A C 2.171 179.809 177.584 0.091 0.000 1.191 244 A CA 1.131 53.154 52.037 -0.024 0.000 0.613 244 A CB -0.688 18.238 19.000 -0.124 0.000 0.829 244 A HN 0.227 nan 8.150 nan 0.000 0.442 245 L N 0.205 121.458 121.223 0.051 0.000 2.043 245 L HA -0.219 4.122 4.340 0.001 0.000 0.212 245 L C 1.580 178.525 176.870 0.125 0.000 1.075 245 L CA 2.798 57.682 54.840 0.075 0.000 0.752 245 L CB -0.756 41.328 42.059 0.042 0.000 0.891 245 L HN 0.347 nan 8.230 nan 0.000 0.432 246 D N -1.476 118.997 120.400 0.121 0.000 2.117 246 D HA -0.224 4.417 4.640 0.001 0.000 0.198 246 D C 1.714 178.109 176.300 0.158 0.000 0.982 246 D CA 1.376 55.449 54.000 0.120 0.000 0.828 246 D CB -0.413 40.446 40.800 0.098 0.000 0.967 246 D HN 0.593 nan 8.370 nan 0.000 0.464 247 W N 1.068 122.379 121.300 0.017 0.000 2.363 247 W HA -0.085 4.576 4.660 0.001 0.000 0.296 247 W C 1.859 178.424 176.519 0.078 0.000 1.212 247 W CA 1.061 58.420 57.345 0.023 0.000 1.260 247 W CB -0.197 29.260 29.460 -0.005 0.000 1.131 247 W HN -0.055 nan 8.180 nan 0.000 0.530 248 L N -0.205 121.263 121.223 0.408 0.000 2.027 248 L HA -0.228 4.112 4.340 0.001 0.000 0.206 248 L C 2.433 179.551 176.870 0.414 0.000 1.074 248 L CA 1.231 56.332 54.840 0.435 0.000 0.745 248 L CB -0.971 41.272 42.059 0.306 0.000 0.898 248 L HN 0.011 nan 8.230 nan 0.000 0.433 249 L N -0.596 120.773 121.223 0.243 0.000 2.201 249 L HA -0.190 4.150 4.340 0.001 0.000 0.212 249 L C 2.372 179.264 176.870 0.037 0.000 1.105 249 L CA 1.034 55.970 54.840 0.161 0.000 0.775 249 L CB -0.378 41.748 42.059 0.112 0.000 0.913 249 L HN 0.310 nan 8.230 nan 0.000 0.440 250 E N -0.153 120.014 120.200 -0.055 0.000 2.152 250 E HA -0.151 4.200 4.350 0.001 0.000 0.192 250 E C 2.162 178.588 176.600 -0.290 0.000 0.983 250 E CA 0.782 57.068 56.400 -0.189 0.000 0.818 250 E CB 0.148 29.668 29.700 -0.300 0.000 0.758 250 E HN 0.414 nan 8.360 nan 0.000 0.467 251 R N 0.550 120.873 120.500 -0.295 0.000 2.237 251 R HA 0.055 4.395 4.340 0.001 0.000 0.195 251 R C 0.528 176.772 176.300 -0.094 0.000 0.956 251 R CA -0.141 55.809 56.100 -0.251 0.000 1.029 251 R CB 0.143 30.196 30.300 -0.412 0.000 0.972 251 R HN 0.049 nan 8.270 nan 0.000 0.493 252 Q N 1.695 121.270 119.800 -0.374 0.000 3.383 252 Q HA -0.145 4.196 4.340 0.001 0.000 0.396 252 Q C -0.520 175.118 176.000 -0.604 0.000 1.054 252 Q CA 0.062 55.220 55.803 -1.076 0.000 1.234 252 Q CB 0.441 28.617 28.738 -0.937 0.000 1.085 252 Q HN 0.286 nan 8.270 nan 0.000 0.473 253 A N 3.937 126.387 122.820 -0.617 0.000 2.366 253 A HA 0.359 4.680 4.320 0.001 0.000 0.250 253 A C 1.270 178.650 177.584 -0.340 0.000 1.099 253 A CA 0.141 51.964 52.037 -0.357 0.000 0.794 253 A CB -0.091 18.755 19.000 -0.257 0.000 1.056 253 A HN 1.056 nan 8.150 nan 0.000 0.499 254 G N -0.243 108.409 108.800 -0.247 0.000 2.432 254 G HA2 -0.209 3.751 3.960 0.001 0.000 0.219 254 G HA3 -0.209 3.751 3.960 0.001 0.000 0.219 254 G C 0.701 175.503 174.900 -0.162 0.000 1.135 254 G CA 1.352 46.337 45.100 -0.192 0.000 0.767 254 G HN 0.882 nan 8.290 nan 0.000 0.550 255 D N -0.814 119.495 120.400 -0.153 0.000 2.363 255 D HA 0.233 4.874 4.640 0.001 0.000 0.226 255 D C 1.730 177.935 176.300 -0.159 0.000 1.020 255 D CA 0.807 54.756 54.000 -0.086 0.000 0.892 255 D CB -0.453 40.371 40.800 0.040 0.000 0.900 255 D HN 0.511 nan 8.370 nan 0.000 0.531 256 G N -0.347 108.258 108.800 -0.325 0.000 2.176 256 G HA2 -0.270 3.691 3.960 0.001 0.000 0.232 256 G HA3 -0.270 3.691 3.960 0.001 0.000 0.232 256 G C 0.473 174.893 174.900 -0.800 0.000 0.986 256 G CA 0.417 45.282 45.100 -0.391 0.000 0.643 256 G HN 0.833 nan 8.290 nan 0.000 0.522 257 S N -0.861 114.145 115.700 -1.155 0.000 2.694 257 S HA 0.747 5.218 4.470 0.001 0.000 0.278 257 S C -0.193 173.899 174.600 -0.846 0.000 1.152 257 S CA -0.580 56.540 58.200 -1.799 0.000 1.010 257 S CB 1.400 63.572 63.200 -1.714 0.000 1.104 257 S HN 0.568 nan 8.310 nan 0.000 0.547 258 W N -0.046 120.985 121.300 -0.447 0.000 2.554 258 W HA 0.478 5.138 4.660 0.001 0.000 0.324 258 W C 0.843 177.386 176.519 0.041 0.000 1.018 258 W CA -0.097 57.211 57.345 -0.062 0.000 1.243 258 W CB 1.281 30.784 29.460 0.072 0.000 1.345 258 W HN 1.301 nan 8.180 nan 0.000 0.441 259 G N 1.723 110.678 108.800 0.258 0.000 2.196 259 G HA2 -0.275 3.685 3.960 0.001 0.000 0.268 259 G HA3 -0.275 3.685 3.960 0.001 0.000 0.268 259 G C 1.036 176.059 174.900 0.205 0.000 0.975 259 G CA 0.657 45.864 45.100 0.178 0.000 0.648 259 G HN 1.593 nan 8.290 nan 0.000 0.538 260 G N -0.580 108.334 108.800 0.189 0.000 2.203 260 G HA2 -0.094 3.866 3.960 0.001 0.000 0.263 260 G HA3 -0.094 3.866 3.960 0.001 0.000 0.263 260 G C 0.422 175.566 174.900 0.407 0.000 1.012 260 G CA 1.184 46.462 45.100 0.296 0.000 0.749 260 G HN 2.216 nan 8.290 nan 0.000 0.512 261 I N -4.706 116.080 120.570 0.361 0.000 2.740 261 I HA 0.602 4.773 4.170 0.001 0.000 0.303 261 I C 1.076 177.428 176.117 0.392 0.000 1.044 261 I CA -1.201 60.312 61.300 0.354 0.000 1.064 261 I CB 1.675 39.834 38.000 0.265 0.000 1.249 261 I HN -0.039 nan 8.210 nan 0.000 0.433 262 Q N 3.128 123.097 119.800 0.281 0.000 2.020 262 Q HA -0.052 4.288 4.340 0.001 0.000 0.202 262 Q C -0.998 174.920 176.000 -0.136 0.000 0.982 262 Q CA 2.344 58.199 55.803 0.087 0.000 0.838 262 Q CB -1.259 27.403 28.738 -0.126 0.000 0.899 262 Q HN 0.671 nan 8.270 nan 0.000 0.423 263 P HA -0.158 nan 4.420 nan 0.000 0.211 263 P C -1.566 175.677 177.300 -0.095 0.000 1.181 263 P CA 2.593 65.543 63.100 -0.250 0.000 0.929 263 P CB -1.373 30.320 31.700 -0.010 0.000 0.789 264 P HA -0.216 nan 4.420 nan 0.000 0.218 264 P C 1.547 178.994 177.300 0.245 0.000 1.148 264 P CA 1.435 64.702 63.100 0.278 0.000 0.822 264 P CB -0.543 31.325 31.700 0.280 0.000 0.784 265 W N 0.935 122.335 121.300 0.168 0.000 2.333 265 W HA -0.195 4.466 4.660 0.001 0.000 0.316 265 W C 2.063 178.686 176.519 0.175 0.000 1.215 265 W CA 1.036 58.556 57.345 0.292 0.000 1.278 265 W CB -1.648 28.044 29.460 0.386 0.000 1.154 265 W HN -0.154 nan 8.180 nan 0.000 0.486 266 F N -0.382 119.558 119.950 -0.017 0.000 2.102 266 F HA -0.224 4.304 4.527 0.001 0.000 0.298 266 F C 2.341 178.048 175.800 -0.155 0.000 1.105 266 F CA 1.821 59.698 58.000 -0.205 0.000 1.239 266 F CB -1.676 37.121 39.000 -0.338 0.000 0.991 266 F HN -0.154 nan 8.300 nan 0.000 0.474 267 Y N -0.236 120.189 120.300 0.207 0.000 2.224 267 Y HA -0.091 4.460 4.550 0.001 0.000 0.289 267 Y C 2.494 178.354 175.900 -0.066 0.000 1.146 267 Y CA 0.542 58.655 58.100 0.022 0.000 1.182 267 Y CB -1.561 36.893 38.460 -0.011 0.000 0.983 267 Y HN 0.027 nan 8.280 nan 0.000 0.524 268 A N -0.011 122.775 122.820 -0.056 0.000 1.933 268 A HA -0.121 4.200 4.320 0.001 0.000 0.218 268 A C 2.306 179.772 177.584 -0.197 0.000 1.175 268 A CA 1.364 53.169 52.037 -0.387 0.000 0.628 268 A CB -1.045 17.178 19.000 -1.295 0.000 0.814 268 A HN 0.463 nan 8.150 nan 0.000 0.444 269 L N -0.571 120.643 121.223 -0.014 0.000 2.056 269 L HA -0.161 4.180 4.340 0.001 0.000 0.207 269 L C 2.480 179.485 176.870 0.225 0.000 1.078 269 L CA 1.163 56.112 54.840 0.183 0.000 0.749 269 L CB -0.445 41.702 42.059 0.146 0.000 0.901 269 L HN 0.386 nan 8.230 nan 0.000 0.433 270 I N -0.165 120.478 120.570 0.121 0.000 2.163 270 I HA -0.326 3.845 4.170 0.001 0.000 0.243 270 I C 2.807 178.976 176.117 0.087 0.000 1.085 270 I CA 1.244 62.597 61.300 0.088 0.000 1.347 270 I CB -0.508 37.545 38.000 0.088 0.000 1.044 270 I HN 0.227 nan 8.210 nan 0.000 0.408 271 A N 0.951 123.809 122.820 0.063 0.000 1.948 271 A HA -0.195 4.125 4.320 0.001 0.000 0.220 271 A C 2.261 179.861 177.584 0.028 0.000 1.177 271 A CA 1.629 53.680 52.037 0.024 0.000 0.636 271 A CB -0.870 18.115 19.000 -0.024 0.000 0.815 271 A HN 0.430 nan 8.150 nan 0.000 0.449 272 L N -1.223 120.042 121.223 0.070 0.000 2.217 272 L HA -0.098 4.243 4.340 0.001 0.000 0.211 272 L C 2.476 179.319 176.870 -0.045 0.000 1.107 272 L CA 1.573 56.449 54.840 0.060 0.000 0.783 272 L CB -0.274 41.914 42.059 0.215 0.000 0.919 272 L HN 0.397 nan 8.230 nan 0.000 0.442 273 K N 0.700 121.073 120.400 -0.046 0.000 2.103 273 K HA -0.111 4.210 4.320 0.001 0.000 0.204 273 K C 1.969 178.558 176.600 -0.019 0.000 1.052 273 K CA 1.110 57.311 56.287 -0.144 0.000 0.945 273 K CB 0.035 32.454 32.500 -0.135 0.000 0.722 273 K HN 0.027 nan 8.250 nan 0.000 0.443 274 I N 1.122 121.722 120.570 0.049 0.000 2.286 274 I HA -0.199 3.972 4.170 0.001 0.000 0.248 274 I C 1.533 177.653 176.117 0.005 0.000 1.115 274 I CA 1.309 62.651 61.300 0.069 0.000 1.392 274 I CB -0.679 37.350 38.000 0.049 0.000 1.065 274 I HN 0.217 nan 8.210 nan 0.000 0.418 275 L N 0.365 121.580 121.223 -0.013 0.000 2.653 275 L HA 0.079 4.419 4.340 0.001 0.000 0.232 275 L C 0.037 176.890 176.870 -0.029 0.000 1.169 275 L CA -0.007 54.821 54.840 -0.020 0.000 0.951 275 L CB -0.427 41.624 42.059 -0.013 0.000 1.181 275 L HN 0.203 nan 8.230 nan 0.000 0.460 276 D N 0.904 121.274 120.400 -0.051 0.000 2.689 276 D HA -0.225 4.416 4.640 0.001 0.000 0.237 276 D C 0.547 176.804 176.300 -0.072 0.000 1.148 276 D CA 1.109 55.068 54.000 -0.068 0.000 0.656 276 D CB -0.478 40.300 40.800 -0.037 0.000 1.050 276 D HN 0.391 nan 8.370 nan 0.000 0.426 277 M N -0.829 118.703 119.600 -0.114 0.000 2.692 277 M HA 0.022 4.502 4.480 0.001 0.000 0.372 277 M C 1.794 177.997 176.300 -0.163 0.000 1.192 277 M CA -0.024 55.246 55.300 -0.051 0.000 0.928 277 M CB 0.629 33.243 32.600 0.022 0.000 1.366 277 M HN 0.019 nan 8.290 nan 0.000 0.517 278 T N -1.336 112.951 114.554 -0.444 0.000 2.759 278 T HA -0.220 4.130 4.350 0.001 0.000 0.269 278 T C 1.078 175.681 174.700 -0.161 0.000 1.042 278 T CA 1.133 62.718 62.100 -0.859 0.000 1.140 278 T CB -0.408 68.023 68.868 -0.729 0.000 0.864 278 T HN 0.664 nan 8.240 nan 0.000 0.455 279 Q N 1.256 121.041 119.800 -0.026 0.000 3.008 279 Q HA 0.334 4.675 4.340 0.001 0.000 0.307 279 Q C -0.562 175.532 176.000 0.156 0.000 1.273 279 Q CA -0.717 55.142 55.803 0.093 0.000 1.091 279 Q CB 0.024 28.784 28.738 0.038 0.000 1.393 279 Q HN 0.536 nan 8.270 nan 0.000 0.521 280 H N 0.773 119.925 119.070 0.138 0.000 2.717 280 H HA 0.279 4.836 4.556 0.001 0.000 0.366 280 H C -2.399 173.041 175.328 0.187 0.000 1.132 280 H CA -2.042 54.090 56.048 0.140 0.000 1.180 280 H CB 2.416 32.263 29.762 0.141 0.000 1.678 280 H HN -0.015 nan 8.280 nan 0.000 0.537 281 P HA -0.236 nan 4.420 nan 0.000 0.217 281 P C 1.176 178.706 177.300 0.383 0.000 1.158 281 P CA 2.948 66.220 63.100 0.287 0.000 0.887 281 P CB -0.017 31.768 31.700 0.141 0.000 0.792 282 A N -1.608 121.540 122.820 0.547 0.000 1.908 282 A HA -0.234 4.087 4.320 0.001 0.000 0.218 282 A C 2.156 179.941 177.584 0.334 0.000 1.181 282 A CA 1.775 53.984 52.037 0.286 0.000 0.627 282 A CB -1.816 17.252 19.000 0.113 0.000 0.818 282 A HN 0.212 nan 8.150 nan 0.000 0.445 283 F N 0.237 120.342 119.950 0.258 0.000 2.259 283 F HA -0.067 4.461 4.527 0.001 0.000 0.298 283 F C 1.877 177.857 175.800 0.300 0.000 1.088 283 F CA 1.006 59.169 58.000 0.272 0.000 1.358 283 F CB 0.058 39.168 39.000 0.182 0.000 1.040 283 F HN 0.116 nan 8.300 nan 0.000 0.505 284 I N 0.425 121.196 120.570 0.334 0.000 2.233 284 I HA -0.204 3.967 4.170 0.001 0.000 0.243 284 I C 2.305 178.536 176.117 0.190 0.000 1.093 284 I CA 1.219 62.675 61.300 0.260 0.000 1.380 284 I CB -1.324 36.832 38.000 0.260 0.000 1.067 284 I HN 0.099 nan 8.210 nan 0.000 0.413 285 K N 1.517 122.015 120.400 0.162 0.000 2.057 285 K HA -0.092 4.228 4.320 0.001 0.000 0.207 285 K C 2.083 178.763 176.600 0.134 0.000 1.049 285 K CA 1.603 57.956 56.287 0.110 0.000 0.931 285 K CB -0.860 31.665 32.500 0.042 0.000 0.714 285 K HN 0.281 nan 8.250 nan 0.000 0.440 286 G N 0.394 109.294 108.800 0.166 0.000 2.421 286 G HA2 -0.276 3.685 3.960 0.001 0.000 0.216 286 G HA3 -0.276 3.685 3.960 0.001 0.000 0.216 286 G C 1.428 176.573 174.900 0.408 0.000 1.171 286 G CA 0.766 46.090 45.100 0.372 0.000 0.775 286 G HN 0.528 nan 8.290 nan 0.000 0.543 287 W N 2.365 123.607 121.300 -0.097 0.000 2.355 287 W HA -0.113 4.547 4.660 0.001 0.000 0.309 287 W C 2.434 178.983 176.519 0.051 0.000 1.206 287 W CA 1.716 58.969 57.345 -0.153 0.000 1.284 287 W CB 0.013 29.275 29.460 -0.331 0.000 1.145 287 W HN 0.549 nan 8.180 nan 0.000 0.502 288 E N -0.432 119.791 120.200 0.038 0.000 2.358 288 E HA 0.006 4.356 4.350 0.001 0.000 0.195 288 E C 2.136 178.784 176.600 0.079 0.000 1.010 288 E CA 1.050 57.433 56.400 -0.028 0.000 0.856 288 E CB -0.952 28.818 29.700 0.116 0.000 0.795 288 E HN 0.199 nan 8.360 nan 0.000 0.504 289 G N 1.469 110.410 108.800 0.236 0.000 2.598 289 G HA2 -0.120 3.841 3.960 0.001 0.000 0.215 289 G HA3 -0.120 3.841 3.960 0.001 0.000 0.215 289 G C 1.493 176.775 174.900 0.636 0.000 1.131 289 G CA 0.120 45.461 45.100 0.403 0.000 0.785 289 G HN 0.151 nan 8.290 nan 0.000 0.539 290 L N 0.116 121.553 121.223 0.357 0.000 2.046 290 L HA -0.077 4.264 4.340 0.001 0.000 0.208 290 L C 2.838 179.877 176.870 0.280 0.000 1.077 290 L CA 0.954 55.867 54.840 0.121 0.000 0.747 290 L CB -0.213 41.694 42.059 -0.253 0.000 0.896 290 L HN 0.145 nan 8.230 nan 0.000 0.432 291 E N -0.013 120.294 120.200 0.178 0.000 2.171 291 E HA -0.276 4.075 4.350 0.001 0.000 0.197 291 E C 2.114 178.845 176.600 0.219 0.000 0.997 291 E CA 1.240 57.759 56.400 0.199 0.000 0.810 291 E CB -0.390 29.383 29.700 0.121 0.000 0.738 291 E HN 0.361 nan 8.360 nan 0.000 0.467 292 L N -0.131 121.265 121.223 0.288 0.000 2.191 292 L HA -0.174 4.167 4.340 0.001 0.000 0.212 292 L C 1.845 178.825 176.870 0.183 0.000 1.103 292 L CA 1.473 56.469 54.840 0.261 0.000 0.769 292 L CB -0.293 41.937 42.059 0.285 0.000 0.908 292 L HN 0.016 nan 8.230 nan 0.000 0.438 293 Y N -0.208 120.078 120.300 -0.022 0.000 2.517 293 Y HA 0.311 4.861 4.550 0.001 0.000 0.281 293 Y C 1.823 177.340 175.900 -0.639 0.000 1.125 293 Y CA -0.095 57.794 58.100 -0.352 0.000 1.283 293 Y CB -0.942 37.066 38.460 -0.755 0.000 1.042 293 Y HN 0.171 nan 8.280 nan 0.000 0.547 294 G N 0.181 108.789 108.800 -0.320 0.000 2.636 294 G HA2 0.416 4.377 3.960 0.001 0.000 0.246 294 G HA3 0.416 4.377 3.960 0.001 0.000 0.246 294 G C -1.078 173.456 174.900 -0.610 0.000 1.216 294 G CA -0.122 44.602 45.100 -0.627 0.000 0.854 294 G HN -0.073 nan 8.290 nan 0.000 0.572 295 V N 0.758 120.110 119.914 -0.937 0.000 2.711 295 V HA 0.260 4.381 4.120 0.001 0.000 0.304 295 V C -0.802 174.971 176.094 -0.534 0.000 1.097 295 V CA -0.981 60.961 62.300 -0.597 0.000 0.906 295 V CB 2.032 33.528 31.823 -0.545 0.000 1.015 295 V HN 0.724 nan 8.190 nan 0.000 0.427 296 E N 4.447 124.490 120.200 -0.261 0.000 2.105 296 E HA 0.381 4.731 4.350 0.001 0.000 0.285 296 E C -0.659 175.806 176.600 -0.225 0.000 1.055 296 E CA -0.207 56.112 56.400 -0.135 0.000 0.843 296 E CB 1.550 31.228 29.700 -0.037 0.000 1.067 296 E HN 0.487 nan 8.360 nan 0.000 0.398 297 L N 2.940 123.977 121.223 -0.310 0.000 2.380 297 L HA 0.007 4.347 4.340 0.001 0.000 0.273 297 L C 1.626 178.252 176.870 -0.407 0.000 1.138 297 L CA -0.329 54.242 54.840 -0.450 0.000 0.832 297 L CB 0.499 42.091 42.059 -0.779 0.000 1.124 297 L HN 0.468 nan 8.230 nan 0.000 0.454 298 D N 1.086 121.311 120.400 -0.292 0.000 2.149 298 D HA -0.322 4.319 4.640 0.001 0.000 0.198 298 D C 1.449 177.697 176.300 -0.086 0.000 0.990 298 D CA 1.571 55.484 54.000 -0.145 0.000 0.839 298 D CB -0.409 40.354 40.800 -0.062 0.000 0.948 298 D HN 0.624 nan 8.370 nan 0.000 0.460 299 Y N -1.253 119.033 120.300 -0.023 0.000 2.584 299 Y HA 0.434 4.985 4.550 0.001 0.000 0.317 299 Y C 1.670 177.582 175.900 0.020 0.000 1.208 299 Y CA -0.565 57.533 58.100 -0.004 0.000 1.299 299 Y CB -0.423 38.021 38.460 -0.026 0.000 1.047 299 Y HN 0.152 nan 8.280 nan 0.000 0.506 300 G N -1.109 107.681 108.800 -0.017 0.000 2.259 300 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 300 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 300 G C 0.881 175.801 174.900 0.033 0.000 1.001 300 G CA -0.208 44.930 45.100 0.063 0.000 0.627 300 G HN 0.956 nan 8.290 nan 0.000 0.501 301 G N -1.067 107.657 108.800 -0.128 0.000 2.516 301 G HA2 0.472 4.433 3.960 0.001 0.000 0.276 301 G HA3 0.472 4.433 3.960 0.001 0.000 0.276 301 G C -0.582 174.317 174.900 -0.002 0.000 1.390 301 G CA 0.050 45.168 45.100 0.030 0.000 1.050 301 G HN 1.180 nan 8.290 nan 0.000 0.519 302 W N -0.048 121.130 121.300 -0.203 0.000 3.573 302 W HA 0.579 5.240 4.660 0.001 0.000 0.306 302 W C -0.680 175.555 176.519 -0.474 0.000 1.227 302 W CA -0.993 56.182 57.345 -0.283 0.000 1.212 302 W CB 1.299 30.642 29.460 -0.196 0.000 1.331 302 W HN 0.723 nan 8.180 nan 0.000 0.524 303 M N 5.003 123.977 119.600 -1.043 0.000 2.619 303 M HA 0.692 5.172 4.480 0.001 0.000 0.297 303 M C -2.088 173.419 176.300 -1.323 0.000 1.229 303 M CA -0.888 53.728 55.300 -1.140 0.000 0.860 303 M CB 2.839 34.827 32.600 -1.021 0.000 1.741 303 M HN 0.419 nan 8.290 nan 0.000 0.462 304 F N 1.808 121.167 119.950 -0.986 0.000 2.444 304 F HA 0.476 5.004 4.527 0.001 0.000 0.342 304 F C -0.467 175.157 175.800 -0.293 0.000 1.121 304 F CA -0.237 57.348 58.000 -0.693 0.000 0.997 304 F CB 1.723 40.500 39.000 -0.372 0.000 1.130 304 F HN 0.694 nan 8.300 nan 0.000 0.454 305 Q N 4.552 124.053 119.800 -0.498 0.000 2.332 305 Q HA 0.338 4.679 4.340 0.001 0.000 0.263 305 Q C 0.901 176.986 176.000 0.141 0.000 0.979 305 Q CA 0.171 55.885 55.803 -0.148 0.000 0.885 305 Q CB 1.512 30.166 28.738 -0.140 0.000 1.218 305 Q HN 0.919 nan 8.270 nan 0.000 0.405 306 A N 2.245 125.196 122.820 0.218 0.000 1.972 306 A HA -0.067 4.254 4.320 0.001 0.000 0.219 306 A C 1.001 178.802 177.584 0.360 0.000 1.169 306 A CA 1.589 53.816 52.037 0.317 0.000 0.635 306 A CB 0.230 19.452 19.000 0.370 0.000 0.810 306 A HN 0.597 nan 8.150 nan 0.000 0.446 307 S N -2.479 113.435 115.700 0.357 0.000 2.655 307 S HA 0.577 5.047 4.470 0.001 0.000 0.266 307 S C -1.572 173.213 174.600 0.309 0.000 1.149 307 S CA -0.158 58.329 58.200 0.478 0.000 0.818 307 S CB 0.514 63.998 63.200 0.474 0.000 1.130 307 S HN 0.852 nan 8.310 nan 0.000 0.476 308 I N 0.717 121.391 120.570 0.173 0.000 2.582 308 I HA 0.669 4.839 4.170 0.001 0.000 0.292 308 I C -0.016 175.758 176.117 -0.572 0.000 1.066 308 I CA -0.694 60.539 61.300 -0.111 0.000 1.053 308 I CB 2.393 40.192 38.000 -0.336 0.000 1.241 308 I HN 0.563 nan 8.210 nan 0.000 0.421 309 S N 3.551 118.914 115.700 -0.562 0.000 2.506 309 S HA 0.381 4.852 4.470 0.001 0.000 0.245 309 S C -1.414 172.906 174.600 -0.466 0.000 1.088 309 S CA -0.972 56.634 58.200 -0.989 0.000 1.099 309 S CB -0.537 62.376 63.200 -0.477 0.000 0.805 309 S HN 0.689 nan 8.310 nan 0.000 0.461 310 P HA -0.142 nan 4.420 nan 0.000 0.213 310 P C 1.605 178.825 177.300 -0.132 0.000 1.170 310 P CA 1.045 63.801 63.100 -0.574 0.000 0.902 310 P CB -0.123 30.657 31.700 -1.534 0.000 0.789 311 V N 0.014 119.887 119.914 -0.068 0.000 2.278 311 V HA -0.233 3.887 4.120 0.001 0.000 0.251 311 V C 2.566 178.788 176.094 0.214 0.000 1.062 311 V CA 2.240 64.668 62.300 0.214 0.000 1.038 311 V CB -1.628 30.306 31.823 0.185 0.000 0.646 311 V HN 0.252 nan 8.190 nan 0.000 0.447 312 W N 0.863 122.151 121.300 -0.019 0.000 2.338 312 W HA -0.205 4.456 4.660 0.001 0.000 0.304 312 W C 2.232 178.785 176.519 0.057 0.000 1.212 312 W CA 2.016 59.409 57.345 0.080 0.000 1.264 312 W CB -0.171 29.449 29.460 0.266 0.000 1.142 312 W HN 0.370 nan 8.180 nan 0.000 0.512 313 D N -0.320 120.163 120.400 0.139 0.000 2.097 313 D HA -0.148 4.493 4.640 0.001 0.000 0.197 313 D C 2.085 178.357 176.300 -0.047 0.000 0.984 313 D CA 2.159 56.183 54.000 0.040 0.000 0.826 313 D CB -0.701 40.227 40.800 0.212 0.000 0.973 313 D HN 0.089 nan 8.370 nan 0.000 0.460 314 T N 0.343 114.973 114.554 0.127 0.000 2.720 314 T HA -0.110 4.240 4.350 0.001 0.000 0.268 314 T C 1.950 176.637 174.700 -0.022 0.000 1.037 314 T CA 1.480 63.724 62.100 0.240 0.000 1.144 314 T CB -0.623 68.438 68.868 0.321 0.000 0.864 314 T HN 0.250 nan 8.240 nan 0.000 0.444 315 G N 1.502 110.228 108.800 -0.123 0.000 2.480 315 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 315 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 315 G C 1.484 176.072 174.900 -0.520 0.000 1.200 315 G CA 0.584 45.503 45.100 -0.302 0.000 0.782 315 G HN 0.447 nan 8.290 nan 0.000 0.554 316 L N 0.758 121.580 121.223 -0.669 0.000 2.046 316 L HA -0.046 4.295 4.340 0.001 0.000 0.208 316 L C 3.463 179.909 176.870 -0.707 0.000 1.077 316 L CA 0.895 55.268 54.840 -0.779 0.000 0.747 316 L CB -0.645 40.866 42.059 -0.914 0.000 0.896 316 L HN 0.317 nan 8.230 nan 0.000 0.432 317 A N 0.298 122.686 122.820 -0.721 0.000 1.869 317 A HA -0.240 4.081 4.320 0.001 0.000 0.218 317 A C 2.377 179.464 177.584 -0.828 0.000 1.203 317 A CA 2.482 53.913 52.037 -1.010 0.000 0.638 317 A CB -1.138 16.851 19.000 -1.684 0.000 0.831 317 A HN 0.175 nan 8.150 nan 0.000 0.450 318 V N 0.072 119.623 119.914 -0.605 0.000 2.231 318 V HA -0.318 3.803 4.120 0.001 0.000 0.248 318 V C 2.620 178.483 176.094 -0.384 0.000 1.054 318 V CA 2.262 64.343 62.300 -0.365 0.000 1.015 318 V CB -0.851 30.849 31.823 -0.206 0.000 0.638 318 V HN 0.598 nan 8.190 nan 0.000 0.444 319 L N -0.165 120.763 121.223 -0.491 0.000 2.081 319 L HA -0.239 4.101 4.340 0.001 0.000 0.212 319 L C 2.639 179.274 176.870 -0.393 0.000 1.080 319 L CA 1.727 56.252 54.840 -0.526 0.000 0.754 319 L CB -0.787 40.781 42.059 -0.819 0.000 0.893 319 L HN 0.411 nan 8.230 nan 0.000 0.433 320 A N -0.151 122.418 122.820 -0.417 0.000 1.897 320 A HA -0.093 4.228 4.320 0.001 0.000 0.215 320 A C 2.212 179.658 177.584 -0.230 0.000 1.181 320 A CA 1.079 52.926 52.037 -0.316 0.000 0.620 320 A CB -0.578 18.196 19.000 -0.377 0.000 0.821 320 A HN 0.346 nan 8.150 nan 0.000 0.443 321 L N -0.937 120.126 121.223 -0.267 0.000 2.201 321 L HA -0.137 4.203 4.340 0.001 0.000 0.212 321 L C 2.818 179.617 176.870 -0.118 0.000 1.105 321 L CA 0.707 55.440 54.840 -0.179 0.000 0.775 321 L CB -0.359 41.577 42.059 -0.205 0.000 0.913 321 L HN 0.294 nan 8.230 nan 0.000 0.440 322 R N -0.007 120.411 120.500 -0.137 0.000 2.055 322 R HA 0.040 4.380 4.340 0.001 0.000 0.226 322 R C 2.350 178.618 176.300 -0.053 0.000 1.135 322 R CA 1.321 57.372 56.100 -0.082 0.000 0.959 322 R CB -0.822 29.418 30.300 -0.100 0.000 0.854 322 R HN 0.263 nan 8.270 nan 0.000 0.431 323 A N 1.335 124.110 122.820 -0.075 0.000 2.024 323 A HA -0.092 4.229 4.320 0.001 0.000 0.220 323 A C 2.215 179.790 177.584 -0.016 0.000 1.164 323 A CA 1.829 53.845 52.037 -0.035 0.000 0.643 323 A CB -0.426 18.548 19.000 -0.044 0.000 0.806 323 A HN 0.364 nan 8.150 nan 0.000 0.451 324 A N -2.466 120.336 122.820 -0.029 0.000 2.119 324 A HA 0.405 4.726 4.320 0.001 0.000 0.216 324 A C 1.829 179.430 177.584 0.028 0.000 1.152 324 A CA 1.666 53.705 52.037 0.004 0.000 0.708 324 A CB -0.412 18.584 19.000 -0.006 0.000 0.805 324 A HN 1.623 nan 8.150 nan 0.000 0.460 325 G N -1.465 107.346 108.800 0.019 0.000 3.465 325 G HA2 -0.081 3.879 3.960 0.001 0.000 0.196 325 G HA3 -0.081 3.879 3.960 0.001 0.000 0.196 325 G C 0.184 175.115 174.900 0.052 0.000 1.170 325 G CA -0.254 44.870 45.100 0.040 0.000 0.887 325 G HN 0.285 nan 8.290 nan 0.000 0.444 326 L N 2.949 124.207 121.223 0.057 0.000 2.628 326 L HA 0.147 4.488 4.340 0.001 0.000 0.292 326 L C -1.699 175.236 176.870 0.109 0.000 1.250 326 L CA -0.741 54.170 54.840 0.119 0.000 0.892 326 L CB -0.012 42.081 42.059 0.057 0.000 1.138 326 L HN 0.137 nan 8.230 nan 0.000 0.502 327 P HA -0.030 nan 4.420 nan 0.000 0.266 327 P C 0.112 177.471 177.300 0.099 0.000 1.195 327 P CA -0.008 63.148 63.100 0.094 0.000 0.768 327 P CB 0.727 32.469 31.700 0.070 0.000 0.838 328 A N 2.644 125.502 122.820 0.064 0.000 2.234 328 A HA -0.163 4.157 4.320 0.001 0.000 0.216 328 A C 0.973 178.599 177.584 0.070 0.000 1.167 328 A CA 1.817 53.887 52.037 0.056 0.000 0.698 328 A CB -1.089 17.936 19.000 0.043 0.000 0.779 328 A HN 0.683 nan 8.150 nan 0.000 0.475 329 D N -3.291 117.156 120.400 0.079 0.000 2.479 329 D HA 0.043 4.683 4.640 0.001 0.000 0.218 329 D C 0.498 176.855 176.300 0.097 0.000 1.177 329 D CA -0.526 53.517 54.000 0.073 0.000 0.830 329 D CB -0.600 40.226 40.800 0.043 0.000 1.014 329 D HN 0.328 nan 8.370 nan 0.000 0.503 330 H N 2.707 121.791 119.070 0.022 0.000 3.192 330 H HA -0.083 4.474 4.556 0.001 0.000 0.295 330 H C 1.186 176.526 175.328 0.021 0.000 0.943 330 H CA 0.916 56.977 56.048 0.021 0.000 1.416 330 H CB 0.695 30.472 29.762 0.026 0.000 1.434 330 H HN 0.319 nan 8.280 nan 0.000 0.565 331 D N 4.290 124.767 120.400 0.128 0.000 2.239 331 D HA -0.236 4.405 4.640 0.001 0.000 0.202 331 D C 1.653 178.074 176.300 0.202 0.000 0.993 331 D CA 0.895 54.974 54.000 0.132 0.000 0.874 331 D CB 0.147 40.966 40.800 0.032 0.000 0.922 331 D HN 0.325 nan 8.370 nan 0.000 0.464 332 R N 0.167 120.914 120.500 0.411 0.000 2.127 332 R HA 0.235 4.576 4.340 0.001 0.000 0.217 332 R C 2.440 178.760 176.300 0.033 0.000 1.074 332 R CA 0.349 56.521 56.100 0.121 0.000 0.991 332 R CB -0.492 29.819 30.300 0.020 0.000 0.895 332 R HN 0.252 nan 8.270 nan 0.000 0.450 333 L N -0.302 120.956 121.223 0.058 0.000 2.313 333 L HA -0.032 4.308 4.340 0.001 0.000 0.214 333 L C 1.756 178.682 176.870 0.094 0.000 1.119 333 L CA 0.414 55.295 54.840 0.069 0.000 0.809 333 L CB -0.127 41.959 42.059 0.045 0.000 0.933 333 L HN -0.012 nan 8.230 nan 0.000 0.449 334 V N -0.677 119.298 119.914 0.100 0.000 2.379 334 V HA -0.185 3.936 4.120 0.001 0.000 0.245 334 V C 2.485 178.633 176.094 0.089 0.000 1.044 334 V CA 1.226 63.581 62.300 0.091 0.000 1.036 334 V CB -0.495 31.378 31.823 0.083 0.000 0.664 334 V HN 0.346 nan 8.190 nan 0.000 0.453 335 K N 0.723 121.160 120.400 0.062 0.000 2.160 335 K HA -0.163 4.157 4.320 0.001 0.000 0.206 335 K C 2.232 178.895 176.600 0.105 0.000 1.047 335 K CA 1.684 58.000 56.287 0.049 0.000 0.930 335 K CB -0.618 31.859 32.500 -0.038 0.000 0.720 335 K HN 0.514 nan 8.250 nan 0.000 0.450 336 A N 0.728 123.607 122.820 0.098 0.000 1.897 336 A HA -0.001 4.319 4.320 0.001 0.000 0.215 336 A C 2.495 180.239 177.584 0.266 0.000 1.181 336 A CA 1.746 53.898 52.037 0.192 0.000 0.620 336 A CB -0.911 18.223 19.000 0.224 0.000 0.821 336 A HN 0.362 nan 8.150 nan 0.000 0.443 337 G N -0.282 108.625 108.800 0.179 0.000 2.418 337 G HA2 -0.202 3.758 3.960 0.001 0.000 0.217 337 G HA3 -0.202 3.758 3.960 0.001 0.000 0.217 337 G C 1.392 176.391 174.900 0.165 0.000 1.158 337 G CA 1.001 46.193 45.100 0.153 0.000 0.771 337 G HN 0.474 nan 8.290 nan 0.000 0.545 338 E N -0.238 120.059 120.200 0.161 0.000 2.077 338 E HA -0.139 4.211 4.350 0.001 0.000 0.193 338 E C 2.032 178.730 176.600 0.163 0.000 0.989 338 E CA 0.799 57.281 56.400 0.136 0.000 0.800 338 E CB -0.342 29.429 29.700 0.119 0.000 0.746 338 E HN 0.678 nan 8.360 nan 0.000 0.452 339 W N 1.660 122.998 121.300 0.063 0.000 2.355 339 W HA -0.113 4.548 4.660 0.001 0.000 0.309 339 W C 2.051 178.626 176.519 0.094 0.000 1.206 339 W CA 1.218 58.608 57.345 0.075 0.000 1.284 339 W CB -0.375 29.149 29.460 0.106 0.000 1.145 339 W HN -0.039 nan 8.180 nan 0.000 0.502 340 L N 0.132 121.506 121.223 0.252 0.000 2.131 340 L HA -0.238 4.103 4.340 0.001 0.000 0.210 340 L C 2.387 179.336 176.870 0.132 0.000 1.092 340 L CA 1.001 55.926 54.840 0.141 0.000 0.759 340 L CB -0.822 41.356 42.059 0.199 0.000 0.903 340 L HN 0.089 nan 8.230 nan 0.000 0.435 341 L N -0.594 120.685 121.223 0.093 0.000 2.093 341 L HA -0.193 4.147 4.340 0.001 0.000 0.208 341 L C 1.907 178.748 176.870 -0.048 0.000 1.085 341 L CA 0.956 55.841 54.840 0.075 0.000 0.755 341 L CB -0.479 41.619 42.059 0.065 0.000 0.904 341 L HN 0.292 nan 8.230 nan 0.000 0.435 342 D N -0.487 119.830 120.400 -0.139 0.000 2.348 342 D HA -0.081 4.560 4.640 0.001 0.000 0.216 342 D C 2.194 178.318 176.300 -0.293 0.000 0.970 342 D CA 0.461 54.335 54.000 -0.209 0.000 0.889 342 D CB 0.015 40.671 40.800 -0.239 0.000 0.912 342 D HN 0.149 nan 8.370 nan 0.000 0.524 343 R N 0.565 120.875 120.500 -0.317 0.000 2.127 343 R HA 0.036 4.377 4.340 0.001 0.000 0.217 343 R C 0.976 177.060 176.300 -0.359 0.000 1.074 343 R CA 0.009 55.916 56.100 -0.322 0.000 0.991 343 R CB -0.592 29.531 30.300 -0.295 0.000 0.895 343 R HN 0.345 nan 8.270 nan 0.000 0.450 344 Q N 1.470 120.950 119.800 -0.533 0.000 2.304 344 Q HA -0.074 4.267 4.340 0.001 0.000 0.315 344 Q C -0.489 175.130 176.000 -0.634 0.000 1.075 344 Q CA 0.331 55.482 55.803 -1.086 0.000 0.988 344 Q CB 0.445 28.658 28.738 -0.874 0.000 1.146 344 Q HN 0.014 nan 8.270 nan 0.000 0.383 345 I N 4.735 124.918 120.570 -0.644 0.000 2.352 345 I HA 0.033 4.203 4.170 0.001 0.000 0.290 345 I C 1.112 177.040 176.117 -0.316 0.000 1.036 345 I CA 0.214 61.278 61.300 -0.394 0.000 1.336 345 I CB 0.599 38.401 38.000 -0.331 0.000 1.407 345 I HN 0.773 nan 8.210 nan 0.000 0.497 346 T N 2.755 117.185 114.554 -0.207 0.000 3.248 346 T HA 0.396 4.746 4.350 0.001 0.000 0.271 346 T C 0.014 174.693 174.700 -0.035 0.000 1.005 346 T CA -0.387 61.642 62.100 -0.119 0.000 0.902 346 T CB -0.598 68.206 68.868 -0.107 0.000 1.102 346 T HN 0.386 nan 8.240 nan 0.000 0.548 347 V N -2.873 117.037 119.914 -0.006 0.000 2.962 347 V HA 0.757 4.877 4.120 0.001 0.000 0.313 347 V C -3.187 172.971 176.094 0.106 0.000 1.099 347 V CA -3.331 58.992 62.300 0.037 0.000 0.971 347 V CB 1.468 33.291 31.823 -0.001 0.000 1.028 347 V HN -0.115 nan 8.190 nan 0.000 0.430 348 P HA 0.276 nan 4.420 nan 0.000 0.261 348 P C 0.399 177.511 177.300 -0.314 0.000 1.183 348 P CA 1.025 63.956 63.100 -0.281 0.000 0.761 348 P CB 0.452 31.984 31.700 -0.280 0.000 0.785 349 G N 1.812 110.150 108.800 -0.770 0.000 2.736 349 G HA2 0.101 4.061 3.960 0.001 0.000 0.229 349 G HA3 0.101 4.061 3.960 0.001 0.000 0.229 349 G C 0.362 174.896 174.900 -0.611 0.000 1.380 349 G CA -0.270 44.569 45.100 -0.436 0.000 1.040 349 G HN 0.273 nan 8.290 nan 0.000 0.568 350 D N -0.501 119.748 120.400 -0.252 0.000 2.347 350 D HA -0.023 4.618 4.640 0.001 0.000 0.215 350 D C 2.196 178.578 176.300 0.138 0.000 0.976 350 D CA 0.461 54.483 54.000 0.036 0.000 0.884 350 D CB -0.036 40.962 40.800 0.329 0.000 0.915 350 D HN 0.612 nan 8.370 nan 0.000 0.526 351 W N 0.348 121.823 121.300 0.291 0.000 2.595 351 W HA 0.194 4.855 4.660 0.001 0.000 0.257 351 W C 1.484 178.133 176.519 0.217 0.000 1.267 351 W CA 0.536 58.059 57.345 0.297 0.000 1.300 351 W CB -0.864 28.837 29.460 0.401 0.000 1.120 351 W HN -0.096 nan 8.180 nan 0.000 0.618 352 A N 1.686 124.179 122.820 -0.545 0.000 2.019 352 A HA -0.062 4.258 4.320 0.001 0.000 0.219 352 A C 2.153 179.668 177.584 -0.114 0.000 1.164 352 A CA 1.963 53.733 52.037 -0.445 0.000 0.644 352 A CB -0.877 17.701 19.000 -0.703 0.000 0.805 352 A HN 0.117 nan 8.150 nan 0.000 0.449 353 V N -0.102 119.756 119.914 -0.092 0.000 2.688 353 V HA -0.198 3.923 4.120 0.001 0.000 0.256 353 V C 2.141 178.221 176.094 -0.023 0.000 1.084 353 V CA 2.066 64.297 62.300 -0.114 0.000 1.103 353 V CB -0.478 31.183 31.823 -0.269 0.000 0.688 353 V HN 0.439 nan 8.190 nan 0.000 0.480 354 K N -0.563 119.885 120.400 0.080 0.000 2.367 354 K HA 0.250 4.571 4.320 0.001 0.000 0.195 354 K C 0.639 177.309 176.600 0.116 0.000 1.060 354 K CA 0.144 56.488 56.287 0.095 0.000 1.022 354 K CB 0.671 33.249 32.500 0.129 0.000 0.894 354 K HN 0.254 nan 8.250 nan 0.000 0.540 355 R N 0.704 121.311 120.500 0.179 0.000 2.687 355 R HA 0.206 4.547 4.340 0.001 0.000 0.264 355 R C -2.396 174.043 176.300 0.232 0.000 1.715 355 R CA -1.304 54.924 56.100 0.215 0.000 1.633 355 R CB 1.075 31.552 30.300 0.295 0.000 1.353 355 R HN -0.130 nan 8.270 nan 0.000 0.653 356 P HA -0.035 nan 4.420 nan 0.000 0.222 356 P C 0.273 177.636 177.300 0.104 0.000 1.147 356 P CA 1.123 64.263 63.100 0.067 0.000 0.790 356 P CB 0.262 31.974 31.700 0.021 0.000 0.780 357 N N -1.040 117.737 118.700 0.129 0.000 2.279 357 N HA 0.106 4.846 4.740 0.001 0.000 0.226 357 N C -0.362 175.257 175.510 0.182 0.000 1.126 357 N CA -0.431 52.695 53.050 0.127 0.000 0.846 357 N CB 0.161 38.701 38.487 0.089 0.000 1.050 357 N HN 0.051 nan 8.380 nan 0.000 0.502 358 L N 1.777 123.172 121.223 0.288 0.000 2.289 358 L HA 0.264 4.605 4.340 0.001 0.000 0.285 358 L C -0.293 176.852 176.870 0.459 0.000 1.049 358 L CA -0.487 54.571 54.840 0.363 0.000 0.804 358 L CB 0.718 43.034 42.059 0.428 0.000 1.195 358 L HN -0.171 nan 8.230 nan 0.000 0.428 359 K N 6.138 126.746 120.400 0.345 0.000 2.312 359 K HA 0.337 4.658 4.320 0.001 0.000 0.287 359 K C -2.326 174.483 176.600 0.349 0.000 1.062 359 K CA -1.864 54.608 56.287 0.308 0.000 0.934 359 K CB 0.520 33.132 32.500 0.187 0.000 1.027 359 K HN 0.405 nan 8.250 nan 0.000 0.478 360 P HA -0.009 nan 4.420 nan 0.000 0.264 360 P C 0.451 177.662 177.300 -0.150 0.000 1.183 360 P CA 0.380 63.566 63.100 0.142 0.000 0.763 360 P CB 0.509 32.336 31.700 0.211 0.000 0.807 361 G N 1.380 109.852 108.800 -0.548 0.000 4.694 361 G HA2 0.275 4.235 3.960 0.001 0.000 0.218 361 G HA3 0.275 4.235 3.960 0.001 0.000 0.218 361 G C 0.301 174.854 174.900 -0.578 0.000 0.652 361 G CA 0.171 45.029 45.100 -0.403 0.000 0.904 361 G HN 0.762 nan 8.290 nan 0.000 0.667 362 G N -0.281 107.845 108.800 -1.123 0.000 2.532 362 G HA2 0.668 4.628 3.960 0.001 0.000 0.291 362 G HA3 0.668 4.628 3.960 0.001 0.000 0.291 362 G C -0.888 173.671 174.900 -0.569 0.000 1.349 362 G CA -0.777 43.772 45.100 -0.918 0.000 1.038 362 G HN 0.078 nan 8.290 nan 0.000 0.518 363 F N -1.355 118.433 119.950 -0.270 0.000 2.620 363 F HA 0.716 5.243 4.527 0.001 0.000 0.320 363 F C 0.611 176.401 175.800 -0.017 0.000 1.069 363 F CA -0.760 57.170 58.000 -0.116 0.000 0.953 363 F CB 1.906 40.885 39.000 -0.036 0.000 1.322 363 F HN 0.655 nan 8.300 nan 0.000 0.479 364 A N 0.570 123.528 122.820 0.230 0.000 2.261 364 A HA 0.559 4.880 4.320 0.001 0.000 0.323 364 A C 0.038 177.804 177.584 0.304 0.000 1.107 364 A CA -0.283 51.904 52.037 0.250 0.000 0.883 364 A CB 0.270 19.380 19.000 0.183 0.000 1.251 364 A HN 0.784 nan 8.150 nan 0.000 0.502 365 F N 0.019 120.047 119.950 0.130 0.000 2.187 365 F HA 0.006 4.534 4.527 0.001 0.000 0.295 365 F C 1.668 177.477 175.800 0.015 0.000 1.091 365 F CA 1.561 59.614 58.000 0.088 0.000 1.308 365 F CB -0.004 39.031 39.000 0.058 0.000 1.030 365 F HN 0.633 nan 8.300 nan 0.000 0.487 366 Q N -0.654 119.175 119.800 0.048 0.000 2.298 366 Q HA 0.123 4.464 4.340 0.001 0.000 0.181 366 Q C 1.024 176.885 176.000 -0.232 0.000 1.004 366 Q CA -0.350 55.302 55.803 -0.253 0.000 1.050 366 Q CB -0.735 27.955 28.738 -0.079 0.000 1.254 366 Q HN 0.179 nan 8.270 nan 0.000 0.531 367 F N 0.617 120.436 119.950 -0.219 0.000 2.053 367 F HA -0.011 4.517 4.527 0.001 0.000 0.292 367 F C 0.845 176.534 175.800 -0.186 0.000 1.125 367 F CA 1.310 59.170 58.000 -0.233 0.000 1.193 367 F CB -0.093 38.722 39.000 -0.307 0.000 0.996 367 F HN 0.488 nan 8.300 nan 0.000 0.470 368 D N -0.531 119.911 120.400 0.070 0.000 2.446 368 D HA 0.209 4.849 4.640 0.001 0.000 0.251 368 D C -1.279 174.990 176.300 -0.051 0.000 1.137 368 D CA -0.115 53.860 54.000 -0.042 0.000 0.890 368 D CB 0.052 40.805 40.800 -0.078 0.000 1.071 368 D HN -0.003 nan 8.370 nan 0.000 0.528 369 N N 3.466 122.133 118.700 -0.055 0.000 2.751 369 N HA 0.026 4.767 4.740 0.001 0.000 0.234 369 N C 0.590 176.054 175.510 -0.076 0.000 1.403 369 N CA -0.342 52.697 53.050 -0.017 0.000 0.747 369 N CB 0.696 39.266 38.487 0.138 0.000 1.326 369 N HN 0.119 nan 8.380 nan 0.000 0.532 370 V N 0.085 119.821 119.914 -0.296 0.000 2.667 370 V HA 0.007 4.128 4.120 0.001 0.000 0.252 370 V C 1.056 176.943 176.094 -0.344 0.000 1.065 370 V CA 1.227 63.299 62.300 -0.380 0.000 1.083 370 V CB -1.016 30.480 31.823 -0.545 0.000 0.692 370 V HN 0.347 nan 8.190 nan 0.000 0.468 371 Y N -0.528 119.666 120.300 -0.176 0.000 2.529 371 Y HA 0.346 4.897 4.550 0.001 0.000 0.290 371 Y C 0.479 176.042 175.900 -0.562 0.000 1.177 371 Y CA -0.654 57.191 58.100 -0.425 0.000 1.305 371 Y CB -0.542 37.495 38.460 -0.704 0.000 1.047 371 Y HN 0.400 nan 8.280 nan 0.000 0.522 372 Y N 0.353 120.840 120.300 0.312 0.000 2.558 372 Y HA 0.336 4.887 4.550 0.001 0.000 0.316 372 Y C -2.598 173.588 175.900 0.477 0.000 0.967 372 Y CA -3.521 54.820 58.100 0.403 0.000 1.126 372 Y CB 0.237 38.839 38.460 0.236 0.000 1.155 372 Y HN -0.094 nan 8.280 nan 0.000 0.628 373 P HA 0.163 nan 4.420 nan 0.000 0.274 373 P C -0.650 176.912 177.300 0.437 0.000 1.231 373 P CA -0.060 63.207 63.100 0.279 0.000 0.790 373 P CB 1.863 33.464 31.700 -0.165 0.000 0.951 374 D N -0.603 119.953 120.400 0.259 0.000 2.340 374 D HA 0.243 4.883 4.640 0.001 0.000 0.240 374 D C 0.893 177.302 176.300 0.182 0.000 1.001 374 D CA -1.019 53.014 54.000 0.055 0.000 0.888 374 D CB 0.997 41.495 40.800 -0.504 0.000 1.310 374 D HN -0.063 nan 8.370 nan 0.000 0.474 375 V N 0.906 120.893 119.914 0.123 0.000 2.490 375 V HA -0.206 3.915 4.120 0.001 0.000 0.250 375 V C 1.657 177.750 176.094 -0.002 0.000 1.061 375 V CA 1.854 64.202 62.300 0.080 0.000 1.064 375 V CB -0.616 31.180 31.823 -0.045 0.000 0.670 375 V HN 0.724 nan 8.190 nan 0.000 0.461 376 D N -0.044 120.321 120.400 -0.058 0.000 2.097 376 D HA -0.157 4.484 4.640 0.001 0.000 0.197 376 D C 2.006 178.436 176.300 0.217 0.000 0.984 376 D CA 1.248 55.264 54.000 0.028 0.000 0.826 376 D CB -0.132 40.557 40.800 -0.185 0.000 0.973 376 D HN 0.396 nan 8.370 nan 0.000 0.460 377 D N -0.747 119.760 120.400 0.179 0.000 2.103 377 D HA -0.081 4.560 4.640 0.001 0.000 0.199 377 D C 1.875 178.256 176.300 0.135 0.000 0.978 377 D CA 1.080 55.264 54.000 0.305 0.000 0.829 377 D CB -0.095 40.886 40.800 0.302 0.000 0.981 377 D HN 0.206 nan 8.370 nan 0.000 0.464 378 T N 1.158 115.816 114.554 0.174 0.000 2.720 378 T HA -0.156 4.195 4.350 0.001 0.000 0.268 378 T C 2.016 176.746 174.700 0.051 0.000 1.037 378 T CA 1.509 63.728 62.100 0.200 0.000 1.144 378 T CB -0.184 68.919 68.868 0.392 0.000 0.864 378 T HN 0.173 nan 8.240 nan 0.000 0.444 379 A N 0.877 123.708 122.820 0.019 0.000 1.873 379 A HA -0.005 4.316 4.320 0.001 0.000 0.215 379 A C 2.594 180.198 177.584 0.035 0.000 1.186 379 A CA 1.270 53.275 52.037 -0.054 0.000 0.616 379 A CB -0.901 17.999 19.000 -0.168 0.000 0.823 379 A HN 0.358 nan 8.150 nan 0.000 0.442 380 V N -0.366 119.563 119.914 0.024 0.000 2.427 380 V HA -0.189 3.932 4.120 0.001 0.000 0.248 380 V C 2.532 178.491 176.094 -0.225 0.000 1.051 380 V CA 1.811 64.048 62.300 -0.104 0.000 1.048 380 V CB -0.665 30.992 31.823 -0.277 0.000 0.666 380 V HN 0.353 nan 8.190 nan 0.000 0.456 381 V N -0.408 119.345 119.914 -0.268 0.000 2.307 381 V HA -0.188 3.932 4.120 0.001 0.000 0.245 381 V C 2.420 178.328 176.094 -0.310 0.000 1.045 381 V CA 1.736 63.772 62.300 -0.440 0.000 1.024 381 V CB -0.289 30.933 31.823 -1.002 0.000 0.651 381 V HN 0.383 nan 8.190 nan 0.000 0.449 382 V N -0.635 119.171 119.914 -0.179 0.000 2.233 382 V HA -0.286 3.835 4.120 0.001 0.000 0.247 382 V C 2.137 178.327 176.094 0.160 0.000 1.050 382 V CA 2.460 64.813 62.300 0.087 0.000 1.010 382 V CB -0.845 31.125 31.823 0.246 0.000 0.637 382 V HN 0.839 nan 8.190 nan 0.000 0.444 383 W N 1.472 122.706 121.300 -0.110 0.000 2.321 383 W HA -0.262 4.399 4.660 0.001 0.000 0.306 383 W C 2.392 178.789 176.519 -0.203 0.000 1.217 383 W CA 2.081 59.297 57.345 -0.215 0.000 1.257 383 W CB -0.886 28.432 29.460 -0.236 0.000 1.145 383 W HN 0.235 nan 8.180 nan 0.000 0.509 384 A N 0.558 123.231 122.820 -0.246 0.000 1.877 384 A HA -0.169 4.152 4.320 0.001 0.000 0.216 384 A C 2.317 179.816 177.584 -0.141 0.000 1.186 384 A CA 2.023 53.840 52.037 -0.368 0.000 0.620 384 A CB -1.137 17.634 19.000 -0.381 0.000 0.822 384 A HN 0.365 nan 8.150 nan 0.000 0.443 385 L N -0.338 120.855 121.223 -0.049 0.000 2.042 385 L HA -0.211 4.130 4.340 0.001 0.000 0.210 385 L C 2.297 179.204 176.870 0.062 0.000 1.076 385 L CA 1.572 56.433 54.840 0.034 0.000 0.749 385 L CB -0.614 41.502 42.059 0.095 0.000 0.893 385 L HN 0.474 nan 8.230 nan 0.000 0.432 386 N N -0.408 118.332 118.700 0.067 0.000 2.635 386 N HA -0.153 4.587 4.740 0.001 0.000 0.191 386 N C 1.336 176.852 175.510 0.010 0.000 1.155 386 N CA 1.350 54.417 53.050 0.028 0.000 0.927 386 N CB 0.026 38.342 38.487 -0.285 0.000 0.976 386 N HN 0.416 nan 8.380 nan 0.000 0.448 387 T N -3.339 111.220 114.554 0.007 0.000 3.084 387 T HA 0.311 4.661 4.350 0.001 0.000 0.270 387 T C 0.304 175.009 174.700 0.008 0.000 1.008 387 T CA -0.428 61.674 62.100 0.003 0.000 0.900 387 T CB -0.102 68.746 68.868 -0.035 0.000 1.084 387 T HN -0.062 nan 8.240 nan 0.000 0.538 388 L N 0.662 121.900 121.223 0.024 0.000 2.303 388 L HA 0.670 5.011 4.340 0.001 0.000 0.266 388 L C 0.065 176.968 176.870 0.055 0.000 1.011 388 L CA -1.459 53.404 54.840 0.038 0.000 0.818 388 L CB 2.037 44.120 42.059 0.041 0.000 1.326 388 L HN -0.086 nan 8.230 nan 0.000 0.435 389 R N 2.076 122.610 120.500 0.057 0.000 2.358 389 R HA 0.551 4.891 4.340 0.001 0.000 0.309 389 R C -1.076 175.259 176.300 0.058 0.000 1.026 389 R CA -0.474 55.661 56.100 0.057 0.000 0.909 389 R CB 1.183 31.513 30.300 0.050 0.000 1.153 389 R HN 0.465 nan 8.270 nan 0.000 0.515 390 L N 3.280 124.540 121.223 0.062 0.000 2.431 390 L HA 0.422 4.762 4.340 0.001 0.000 0.260 390 L C -1.390 175.510 176.870 0.051 0.000 1.098 390 L CA -2.087 52.789 54.840 0.061 0.000 0.800 390 L CB 0.765 42.865 42.059 0.069 0.000 1.210 390 L HN 0.208 nan 8.230 nan 0.000 0.465 391 P HA -0.113 nan 4.420 nan 0.000 0.213 391 P C -0.113 177.208 177.300 0.036 0.000 1.170 391 P CA 0.940 64.062 63.100 0.037 0.000 0.889 391 P CB 0.141 31.862 31.700 0.034 0.000 0.782 392 D N 0.127 120.550 120.400 0.038 0.000 2.517 392 D HA -0.017 4.624 4.640 0.001 0.000 0.220 392 D C 0.901 177.227 176.300 0.043 0.000 1.158 392 D CA 0.097 54.118 54.000 0.036 0.000 0.992 392 D CB -0.317 40.502 40.800 0.032 0.000 1.058 392 D HN -0.070 nan 8.370 nan 0.000 0.516 393 E N 1.885 122.111 120.200 0.043 0.000 2.472 393 E HA -0.149 4.201 4.350 0.001 0.000 0.200 393 E C 1.604 178.234 176.600 0.049 0.000 1.046 393 E CA 0.231 56.661 56.400 0.051 0.000 0.871 393 E CB 0.281 30.009 29.700 0.047 0.000 0.806 393 E HN 0.352 nan 8.360 nan 0.000 0.533 394 R N 1.428 121.952 120.500 0.039 0.000 2.055 394 R HA -0.029 4.312 4.340 0.001 0.000 0.228 394 R C 2.119 178.444 176.300 0.041 0.000 1.143 394 R CA 1.711 57.831 56.100 0.034 0.000 0.945 394 R CB -0.652 29.663 30.300 0.024 0.000 0.841 394 R HN -0.033 nan 8.270 nan 0.000 0.429 395 R N -0.020 120.505 120.500 0.041 0.000 2.091 395 R HA -0.058 4.283 4.340 0.001 0.000 0.238 395 R C 2.549 178.891 176.300 0.070 0.000 1.136 395 R CA 1.961 58.089 56.100 0.046 0.000 0.959 395 R CB -0.281 30.042 30.300 0.038 0.000 0.856 395 R HN 0.256 nan 8.270 nan 0.000 0.437 396 R N -0.107 120.441 120.500 0.080 0.000 2.070 396 R HA -0.184 4.157 4.340 0.001 0.000 0.233 396 R C 2.250 178.625 176.300 0.125 0.000 1.137 396 R CA 1.890 58.056 56.100 0.109 0.000 0.945 396 R CB -0.156 30.207 30.300 0.104 0.000 0.845 396 R HN 0.001 nan 8.270 nan 0.000 0.430 397 R N 0.768 121.330 120.500 0.103 0.000 2.080 397 R HA -0.164 4.177 4.340 0.001 0.000 0.236 397 R C 1.763 178.114 176.300 0.085 0.000 1.137 397 R CA 2.363 58.523 56.100 0.099 0.000 0.943 397 R CB -0.775 29.566 30.300 0.068 0.000 0.846 397 R HN 0.319 nan 8.270 nan 0.000 0.431 398 D N -0.866 119.573 120.400 0.066 0.000 2.088 398 D HA -0.157 4.484 4.640 0.001 0.000 0.191 398 D C 1.726 178.070 176.300 0.073 0.000 0.992 398 D CA 2.131 56.162 54.000 0.052 0.000 0.831 398 D CB -0.288 40.534 40.800 0.036 0.000 0.973 398 D HN 0.340 nan 8.370 nan 0.000 0.447 399 A N 0.204 123.080 122.820 0.093 0.000 1.884 399 A HA -0.284 4.036 4.320 0.001 0.000 0.219 399 A C 2.323 180.024 177.584 0.194 0.000 1.197 399 A CA 2.189 54.301 52.037 0.126 0.000 0.637 399 A CB -0.877 18.218 19.000 0.158 0.000 0.827 399 A HN 0.336 nan 8.150 nan 0.000 0.450 400 M N -0.897 118.839 119.600 0.227 0.000 2.144 400 M HA -0.180 4.301 4.480 0.001 0.000 0.260 400 M C 2.184 178.636 176.300 0.253 0.000 1.067 400 M CA 2.114 57.596 55.300 0.303 0.000 1.095 400 M CB -0.592 32.228 32.600 0.367 0.000 1.365 400 M HN 0.549 nan 8.290 nan 0.000 0.406 401 T N 0.039 114.671 114.554 0.131 0.000 2.770 401 T HA -0.083 4.267 4.350 0.001 0.000 0.263 401 T C 1.712 176.483 174.700 0.118 0.000 1.039 401 T CA 1.005 63.130 62.100 0.042 0.000 1.142 401 T CB -0.068 68.778 68.868 -0.037 0.000 0.868 401 T HN 0.373 nan 8.240 nan 0.000 0.435 402 K N 0.775 121.246 120.400 0.117 0.000 2.009 402 K HA -0.079 4.242 4.320 0.001 0.000 0.210 402 K C 2.617 179.344 176.600 0.212 0.000 1.049 402 K CA 1.436 57.797 56.287 0.123 0.000 0.929 402 K CB -0.704 31.828 32.500 0.052 0.000 0.714 402 K HN 0.365 nan 8.250 nan 0.000 0.440 403 G N 1.450 110.398 108.800 0.247 0.000 2.491 403 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 403 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 403 G C 1.347 176.511 174.900 0.440 0.000 1.180 403 G CA 0.759 46.069 45.100 0.351 0.000 0.774 403 G HN 0.198 nan 8.290 nan 0.000 0.562 404 F N 1.952 122.033 119.950 0.219 0.000 2.043 404 F HA -0.097 4.431 4.527 0.001 0.000 0.297 404 F C 2.879 178.801 175.800 0.204 0.000 1.121 404 F CA 1.753 59.871 58.000 0.197 0.000 1.199 404 F CB -0.498 38.498 39.000 -0.006 0.000 0.968 404 F HN 0.030 nan 8.300 nan 0.000 0.478 405 R N -1.615 119.178 120.500 0.488 0.000 2.159 405 R HA -0.244 4.097 4.340 0.001 0.000 0.237 405 R C 2.138 178.643 176.300 0.342 0.000 1.131 405 R CA 1.640 57.939 56.100 0.332 0.000 0.982 405 R CB -0.973 29.423 30.300 0.160 0.000 0.868 405 R HN 0.515 nan 8.270 nan 0.000 0.453 406 W N 1.212 122.605 121.300 0.155 0.000 2.453 406 W HA 0.006 4.666 4.660 0.001 0.000 0.289 406 W C 1.653 178.222 176.519 0.083 0.000 1.215 406 W CA 0.819 58.188 57.345 0.038 0.000 1.297 406 W CB -0.143 29.272 29.460 -0.074 0.000 1.113 406 W HN -0.110 nan 8.180 nan 0.000 0.551 407 I N -0.048 120.683 120.570 0.267 0.000 2.142 407 I HA -0.343 3.828 4.170 0.001 0.000 0.240 407 I C 2.109 178.372 176.117 0.242 0.000 1.078 407 I CA 1.587 62.917 61.300 0.052 0.000 1.343 407 I CB -0.991 36.971 38.000 -0.063 0.000 1.046 407 I HN -0.225 nan 8.210 nan 0.000 0.405 408 V N 0.947 121.117 119.914 0.427 0.000 2.490 408 V HA -0.207 3.913 4.120 0.001 0.000 0.250 408 V C 2.503 178.757 176.094 0.266 0.000 1.061 408 V CA 2.016 64.610 62.300 0.489 0.000 1.064 408 V CB -1.491 30.616 31.823 0.473 0.000 0.670 408 V HN 0.599 nan 8.190 nan 0.000 0.461 409 G N -0.863 108.008 108.800 0.119 0.000 2.471 409 G HA2 -0.157 3.804 3.960 0.001 0.000 0.219 409 G HA3 -0.157 3.804 3.960 0.001 0.000 0.219 409 G C 1.382 176.217 174.900 -0.108 0.000 1.125 409 G CA 0.420 45.518 45.100 -0.002 0.000 0.775 409 G HN 0.358 nan 8.290 nan 0.000 0.548 410 M N 0.267 119.760 119.600 -0.179 0.000 2.556 410 M HA 0.162 4.643 4.480 0.001 0.000 0.245 410 M C 1.176 177.413 176.300 -0.106 0.000 1.128 410 M CA -0.186 54.987 55.300 -0.212 0.000 1.069 410 M CB -0.583 31.739 32.600 -0.463 0.000 1.469 410 M HN 0.297 nan 8.290 nan 0.000 0.494 411 Q N 1.520 121.233 119.800 -0.144 0.000 2.262 411 Q HA 0.016 4.356 4.340 0.001 0.000 0.298 411 Q C -0.357 175.276 176.000 -0.612 0.000 1.083 411 Q CA 0.255 55.494 55.803 -0.939 0.000 0.962 411 Q CB 0.701 28.918 28.738 -0.868 0.000 1.104 411 Q HN 0.153 nan 8.270 nan 0.000 0.376 412 S N 1.972 117.284 115.700 -0.645 0.000 2.634 412 S HA 0.056 4.527 4.470 0.001 0.000 0.261 412 S C 1.173 175.561 174.600 -0.355 0.000 1.271 412 S CA -0.454 57.523 58.200 -0.373 0.000 0.985 412 S CB 1.241 64.268 63.200 -0.288 0.000 0.968 412 S HN 0.810 nan 8.310 nan 0.000 0.568 413 S N 2.061 117.626 115.700 -0.225 0.000 2.372 413 S HA -0.237 4.234 4.470 0.001 0.000 0.227 413 S C 1.585 176.072 174.600 -0.188 0.000 1.044 413 S CA 2.148 60.243 58.200 -0.175 0.000 1.050 413 S CB -0.759 62.377 63.200 -0.107 0.000 0.901 413 S HN 0.861 nan 8.310 nan 0.000 0.447 414 N N 0.382 118.957 118.700 -0.210 0.000 2.550 414 N HA 0.197 4.937 4.740 0.001 0.000 0.186 414 N C 1.065 176.431 175.510 -0.240 0.000 1.110 414 N CA 0.912 53.863 53.050 -0.166 0.000 0.912 414 N CB -0.141 38.286 38.487 -0.099 0.000 0.968 414 N HN 0.430 nan 8.380 nan 0.000 0.448 415 G N -2.004 106.549 108.800 -0.411 0.000 2.201 415 G HA2 -0.130 3.831 3.960 0.001 0.000 0.212 415 G HA3 -0.130 3.831 3.960 0.001 0.000 0.212 415 G C 0.198 174.678 174.900 -0.700 0.000 0.994 415 G CA -0.275 44.546 45.100 -0.465 0.000 0.644 415 G HN 0.762 nan 8.290 nan 0.000 0.508 416 G N -1.330 106.923 108.800 -0.912 0.000 2.537 416 G HA2 0.560 4.521 3.960 0.001 0.000 0.323 416 G HA3 0.560 4.521 3.960 0.001 0.000 0.323 416 G C -0.369 174.135 174.900 -0.660 0.000 1.207 416 G CA -0.897 43.694 45.100 -0.849 0.000 0.976 416 G HN 0.219 nan 8.290 nan 0.000 0.487 417 W N 0.091 121.239 121.300 -0.254 0.000 2.551 417 W HA 0.536 5.197 4.660 0.001 0.000 0.330 417 W C 0.538 177.012 176.519 -0.075 0.000 1.063 417 W CA -0.612 56.638 57.345 -0.158 0.000 1.222 417 W CB 2.083 31.456 29.460 -0.145 0.000 1.349 417 W HN 0.783 nan 8.180 nan 0.000 0.536 418 G N 0.486 109.393 108.800 0.179 0.000 2.543 418 G HA2 0.460 4.421 3.960 0.001 0.000 0.267 418 G HA3 0.460 4.421 3.960 0.001 0.000 0.267 418 G C 0.437 175.458 174.900 0.202 0.000 1.406 418 G CA 0.273 45.499 45.100 0.210 0.000 1.048 418 G HN 0.504 nan 8.290 nan 0.000 0.548 419 A N -1.841 121.107 122.820 0.213 0.000 1.881 419 A HA 0.327 4.647 4.320 0.001 0.000 0.210 419 A C 1.870 179.365 177.584 -0.148 0.000 1.239 419 A CA 0.968 52.965 52.037 -0.068 0.000 0.629 419 A CB -0.287 18.606 19.000 -0.178 0.000 0.906 419 A HN 0.558 nan 8.150 nan 0.000 0.460 420 Y N -0.398 120.082 120.300 0.299 0.000 2.535 420 Y HA 0.278 4.828 4.550 0.001 0.000 0.266 420 Y C 0.252 176.362 175.900 0.350 0.000 1.088 420 Y CA -0.370 57.944 58.100 0.356 0.000 1.285 420 Y CB 0.627 39.324 38.460 0.394 0.000 1.166 420 Y HN 0.155 nan 8.280 nan 0.000 0.525 421 D N -0.905 119.737 120.400 0.404 0.000 2.566 421 D HA 0.468 5.109 4.640 0.001 0.000 0.254 421 D C -1.086 175.325 176.300 0.185 0.000 1.090 421 D CA -0.440 53.751 54.000 0.318 0.000 1.034 421 D CB 3.187 44.169 40.800 0.303 0.000 1.434 421 D HN -0.351 nan 8.370 nan 0.000 0.509 422 V N 1.119 121.119 119.914 0.144 0.000 2.427 422 V HA 0.155 4.276 4.120 0.001 0.000 0.286 422 V C -0.007 176.113 176.094 0.044 0.000 1.034 422 V CA -0.564 61.767 62.300 0.050 0.000 0.893 422 V CB 1.206 33.043 31.823 0.023 0.000 0.982 422 V HN 0.587 nan 8.190 nan 0.000 0.452 423 D N 2.720 123.118 120.400 -0.004 0.000 2.701 423 D HA -0.203 4.438 4.640 0.001 0.000 0.235 423 D C 0.555 176.874 176.300 0.033 0.000 1.155 423 D CA 0.698 54.697 54.000 -0.003 0.000 0.649 423 D CB -0.624 40.169 40.800 -0.013 0.000 1.050 423 D HN 0.765 nan 8.370 nan 0.000 0.425 424 N N 0.740 119.475 118.700 0.058 0.000 3.245 424 N HA 0.016 4.756 4.740 0.001 0.000 0.296 424 N C 0.795 176.327 175.510 0.037 0.000 1.254 424 N CA 0.459 53.546 53.050 0.061 0.000 1.190 424 N CB 0.198 38.738 38.487 0.089 0.000 1.460 424 N HN 0.234 nan 8.380 nan 0.000 0.538 425 T N -2.805 111.760 114.554 0.018 0.000 3.044 425 T HA 0.065 4.416 4.350 0.001 0.000 0.260 425 T C 0.831 175.525 174.700 -0.010 0.000 1.019 425 T CA -0.428 61.678 62.100 0.009 0.000 0.921 425 T CB 0.145 69.019 68.868 0.010 0.000 1.053 425 T HN 0.137 nan 8.240 nan 0.000 0.533 426 S N 1.278 116.963 115.700 -0.025 0.000 2.554 426 S HA -0.048 4.423 4.470 0.001 0.000 0.290 426 S C 0.697 175.262 174.600 -0.059 0.000 1.309 426 S CA 0.280 58.455 58.200 -0.041 0.000 1.047 426 S CB 0.334 63.492 63.200 -0.070 0.000 0.828 426 S HN 0.537 nan 8.310 nan 0.000 0.509 427 D N 2.466 122.851 120.400 -0.026 0.000 2.407 427 D HA 0.167 4.807 4.640 0.001 0.000 0.208 427 D C 1.596 177.901 176.300 0.008 0.000 1.083 427 D CA -0.212 53.782 54.000 -0.010 0.000 0.844 427 D CB -0.012 40.826 40.800 0.064 0.000 0.967 427 D HN 0.396 nan 8.370 nan 0.000 0.506 428 L N 1.799 123.017 121.223 -0.010 0.000 1.994 428 L HA -0.032 4.308 4.340 0.001 0.000 0.208 428 L C -0.627 176.139 176.870 -0.173 0.000 1.071 428 L CA 1.939 56.787 54.840 0.013 0.000 0.745 428 L CB -1.930 40.123 42.059 -0.010 0.000 0.892 428 L HN 0.173 nan 8.230 nan 0.000 0.431 429 P HA -0.172 nan 4.420 nan 0.000 0.219 429 P C 0.907 177.949 177.300 -0.429 0.000 1.146 429 P CA 1.128 63.897 63.100 -0.552 0.000 0.808 429 P CB -0.293 30.760 31.700 -1.079 0.000 0.779 430 N N -0.604 117.832 118.700 -0.440 0.000 2.635 430 N HA -0.120 4.621 4.740 0.001 0.000 0.191 430 N C 1.192 176.273 175.510 -0.714 0.000 1.155 430 N CA 0.840 53.572 53.050 -0.531 0.000 0.927 430 N CB -0.380 37.764 38.487 -0.573 0.000 0.976 430 N HN 0.490 nan 8.380 nan 0.000 0.448 431 H N -0.517 118.329 119.070 -0.373 0.000 2.874 431 H HA 0.185 4.741 4.556 0.001 0.000 0.264 431 H C 0.643 175.596 175.328 -0.625 0.000 1.007 431 H CA -0.402 55.370 56.048 -0.459 0.000 1.207 431 H CB 1.109 30.587 29.762 -0.473 0.000 1.487 431 H HN 0.022 nan 8.280 nan 0.000 0.505 432 I N 2.650 122.898 120.570 -0.536 0.000 2.813 432 I HA -0.018 4.152 4.170 0.001 0.000 0.287 432 I C -1.213 174.857 176.117 -0.079 0.000 1.196 432 I CA -1.880 59.230 61.300 -0.316 0.000 1.421 432 I CB 0.032 37.962 38.000 -0.117 0.000 1.365 432 I HN -0.110 nan 8.210 nan 0.000 0.591 433 P HA -0.190 nan 4.420 nan 0.000 0.216 433 P C 1.879 179.219 177.300 0.066 0.000 1.150 433 P CA 1.332 64.478 63.100 0.076 0.000 0.837 433 P CB 0.011 31.793 31.700 0.137 0.000 0.786 434 F N 0.165 120.087 119.950 -0.047 0.000 2.161 434 F HA -0.154 4.373 4.527 0.001 0.000 0.300 434 F C 0.812 176.520 175.800 -0.155 0.000 1.089 434 F CA 1.043 58.984 58.000 -0.098 0.000 1.282 434 F CB -0.539 38.410 39.000 -0.086 0.000 1.010 434 F HN -0.185 nan 8.300 nan 0.000 0.485 435 C N 3.066 122.364 119.300 -0.004 0.000 3.183 435 C HA 0.109 4.569 4.460 0.001 0.000 0.545 435 C C 0.868 175.759 174.990 -0.164 0.000 1.044 435 C CA 0.035 58.993 59.018 -0.099 0.000 1.117 435 C CB -2.327 25.410 27.740 -0.004 0.000 1.393 435 C HN 0.504 nan 8.230 nan 0.000 0.611 436 D N -0.671 119.589 120.400 -0.233 0.000 2.402 436 D HA 0.083 4.723 4.640 0.001 0.000 0.216 436 D C -0.201 176.087 176.300 -0.020 0.000 1.128 436 D CA -0.252 53.674 54.000 -0.124 0.000 0.833 436 D CB -0.047 40.686 40.800 -0.111 0.000 0.971 436 D HN 0.364 nan 8.370 nan 0.000 0.503 437 F N 1.171 120.985 119.950 -0.227 0.000 2.659 437 F HA 0.520 5.047 4.527 0.001 0.000 0.342 437 F C 0.651 176.340 175.800 -0.186 0.000 1.168 437 F CA 0.365 58.286 58.000 -0.131 0.000 1.003 437 F CB 1.178 40.142 39.000 -0.061 0.000 1.267 437 F HN 0.224 nan 8.300 nan 0.000 0.463 438 G N 4.569 112.911 108.800 -0.764 0.000 2.645 438 G HA2 -0.177 3.783 3.960 0.001 0.000 0.239 438 G HA3 -0.177 3.783 3.960 0.001 0.000 0.239 438 G C -0.594 173.839 174.900 -0.778 0.000 1.331 438 G CA -0.512 44.026 45.100 -0.938 0.000 0.890 438 G HN 0.687 nan 8.290 nan 0.000 0.572 439 E N -0.951 118.579 120.200 -1.117 0.000 2.349 439 E HA 0.461 4.811 4.350 0.001 0.000 0.262 439 E C 0.730 177.277 176.600 -0.089 0.000 1.088 439 E CA -0.004 56.153 56.400 -0.406 0.000 0.899 439 E CB 1.721 31.387 29.700 -0.057 0.000 1.044 439 E HN 0.573 nan 8.360 nan 0.000 0.420 440 V N 0.353 120.324 119.914 0.096 0.000 3.392 440 V HA 0.020 4.141 4.120 0.001 0.000 0.294 440 V C 0.081 176.172 176.094 -0.005 0.000 1.561 440 V CA 0.400 62.779 62.300 0.131 0.000 1.056 440 V CB 1.003 32.839 31.823 0.022 0.000 0.882 440 V HN 0.788 nan 8.190 nan 0.000 0.440 441 T N -3.313 111.271 114.554 0.050 0.000 2.901 441 T HA 0.602 4.953 4.350 0.001 0.000 0.293 441 T C -1.142 173.633 174.700 0.125 0.000 1.084 441 T CA -0.452 61.629 62.100 -0.031 0.000 1.008 441 T CB 2.747 71.581 68.868 -0.056 0.000 1.170 441 T HN -0.054 nan 8.240 nan 0.000 0.509 442 D N 2.345 122.799 120.400 0.090 0.000 2.634 442 D HA 0.377 5.018 4.640 0.001 0.000 0.318 442 D C -2.365 174.085 176.300 0.250 0.000 1.226 442 D CA -1.992 52.183 54.000 0.290 0.000 0.899 442 D CB 0.595 41.546 40.800 0.252 0.000 1.025 442 D HN 0.321 nan 8.370 nan 0.000 0.501 443 P HA 0.320 nan 4.420 nan 0.000 0.276 443 P C -2.651 174.755 177.300 0.177 0.000 1.244 443 P CA -1.547 61.641 63.100 0.147 0.000 0.801 443 P CB 0.430 32.199 31.700 0.114 0.000 1.006 444 P HA 0.050 nan 4.420 nan 0.000 0.266 444 P C -0.101 177.319 177.300 0.200 0.000 1.195 444 P CA 0.526 63.662 63.100 0.059 0.000 0.768 444 P CB 0.196 31.760 31.700 -0.226 0.000 0.838 445 S N 0.490 116.349 115.700 0.265 0.000 2.599 445 S HA 0.381 4.852 4.470 0.001 0.000 0.294 445 S C 0.745 175.554 174.600 0.349 0.000 1.094 445 S CA -0.655 57.750 58.200 0.341 0.000 0.931 445 S CB 1.707 65.097 63.200 0.317 0.000 1.093 445 S HN 0.213 nan 8.310 nan 0.000 0.488 446 E N 1.424 121.802 120.200 0.297 0.000 2.077 446 E HA -0.154 4.196 4.350 0.001 0.000 0.193 446 E C 1.505 178.056 176.600 -0.081 0.000 0.989 446 E CA 1.913 58.389 56.400 0.127 0.000 0.800 446 E CB -0.251 29.472 29.700 0.040 0.000 0.746 446 E HN 0.835 nan 8.360 nan 0.000 0.452 447 D N 0.525 120.845 120.400 -0.132 0.000 2.084 447 D HA -0.133 4.508 4.640 0.001 0.000 0.196 447 D C 1.972 177.988 176.300 -0.473 0.000 0.985 447 D CA 1.029 54.780 54.000 -0.414 0.000 0.826 447 D CB -0.794 39.762 40.800 -0.407 0.000 0.978 447 D HN 0.149 nan 8.370 nan 0.000 0.456 448 V N 1.023 120.862 119.914 -0.124 0.000 2.392 448 V HA -0.245 3.876 4.120 0.001 0.000 0.249 448 V C 2.671 178.723 176.094 -0.071 0.000 1.059 448 V CA 2.242 64.512 62.300 -0.050 0.000 1.051 448 V CB -1.053 30.827 31.823 0.095 0.000 0.658 448 V HN 0.317 nan 8.190 nan 0.000 0.455 449 T N 0.405 114.978 114.554 0.032 0.000 2.708 449 T HA -0.138 4.212 4.350 0.001 0.000 0.266 449 T C 2.108 176.762 174.700 -0.076 0.000 1.037 449 T CA 1.608 63.794 62.100 0.142 0.000 1.146 449 T CB -0.455 68.581 68.868 0.281 0.000 0.865 449 T HN 0.579 nan 8.240 nan 0.000 0.435 450 A N 1.189 123.890 122.820 -0.198 0.000 1.908 450 A HA -0.191 4.129 4.320 0.001 0.000 0.218 450 A C 1.918 179.367 177.584 -0.226 0.000 1.181 450 A CA 1.766 53.636 52.037 -0.277 0.000 0.627 450 A CB -0.997 17.755 19.000 -0.413 0.000 0.818 450 A HN 0.725 nan 8.150 nan 0.000 0.445 451 H N -1.665 117.271 119.070 -0.222 0.000 2.457 451 H HA -0.020 4.536 4.556 0.001 0.000 0.294 451 H C 2.026 177.133 175.328 -0.368 0.000 1.064 451 H CA 0.678 56.608 56.048 -0.196 0.000 1.330 451 H CB 0.140 29.872 29.762 -0.051 0.000 1.395 451 H HN 0.327 nan 8.280 nan 0.000 0.541 452 V N 0.481 120.140 119.914 -0.426 0.000 2.255 452 V HA -0.209 3.911 4.120 0.001 0.000 0.243 452 V C 2.143 177.661 176.094 -0.961 0.000 1.038 452 V CA 1.176 62.920 62.300 -0.927 0.000 1.008 452 V CB -0.341 30.578 31.823 -1.507 0.000 0.645 452 V HN 0.229 nan 8.190 nan 0.000 0.449 453 L N 0.190 121.070 121.223 -0.571 0.000 2.043 453 L HA -0.239 4.102 4.340 0.001 0.000 0.212 453 L C 2.473 179.153 176.870 -0.317 0.000 1.075 453 L CA 2.304 56.974 54.840 -0.283 0.000 0.752 453 L CB -0.958 41.035 42.059 -0.110 0.000 0.891 453 L HN 0.477 nan 8.230 nan 0.000 0.432 454 E N -1.422 118.524 120.200 -0.423 0.000 2.110 454 E HA -0.255 4.096 4.350 0.001 0.000 0.193 454 E C 2.455 178.509 176.600 -0.910 0.000 0.988 454 E CA 1.495 57.524 56.400 -0.619 0.000 0.804 454 E CB -0.325 28.945 29.700 -0.716 0.000 0.745 454 E HN 0.567 nan 8.360 nan 0.000 0.458 455 C N -0.195 118.612 119.300 -0.821 0.000 2.436 455 C HA -0.133 4.327 4.460 0.001 0.000 0.277 455 C C 2.325 177.112 174.990 -0.337 0.000 1.241 455 C CA 0.839 59.442 59.018 -0.692 0.000 1.721 455 C CB -1.454 25.997 27.740 -0.481 0.000 2.043 455 C HN 0.525 nan 8.230 nan 0.000 0.472 456 F N 1.908 121.711 119.950 -0.244 0.000 2.134 456 F HA 0.088 4.616 4.527 0.001 0.000 0.299 456 F C 2.710 178.587 175.800 0.128 0.000 1.097 456 F CA 1.440 59.432 58.000 -0.012 0.000 1.264 456 F CB -1.703 37.314 39.000 0.028 0.000 1.001 456 F HN 0.362 nan 8.300 nan 0.000 0.479 457 G N -0.539 108.349 108.800 0.146 0.000 2.485 457 G HA2 -0.298 3.663 3.960 0.001 0.000 0.221 457 G HA3 -0.298 3.663 3.960 0.001 0.000 0.221 457 G C 1.828 176.715 174.900 -0.022 0.000 1.115 457 G CA 1.400 46.538 45.100 0.065 0.000 0.751 457 G HN 0.481 nan 8.290 nan 0.000 0.567 458 S N 0.510 116.076 115.700 -0.223 0.000 2.356 458 S HA -0.064 4.407 4.470 0.001 0.000 0.223 458 S C 2.032 176.562 174.600 -0.118 0.000 1.032 458 S CA 1.191 59.217 58.200 -0.290 0.000 1.005 458 S CB -0.598 62.265 63.200 -0.562 0.000 0.867 458 S HN 0.191 nan 8.310 nan 0.000 0.449 459 F N 2.503 122.555 119.950 0.170 0.000 2.451 459 F HA 0.281 4.808 4.527 0.001 0.000 0.299 459 F C 2.312 178.270 175.800 0.262 0.000 1.101 459 F CA 0.516 58.686 58.000 0.284 0.000 1.436 459 F CB -0.673 38.616 39.000 0.482 0.000 1.074 459 F HN 0.524 nan 8.300 nan 0.000 0.553 460 G N -1.952 107.067 108.800 0.364 0.000 2.195 460 G HA2 -0.284 3.677 3.960 0.001 0.000 0.224 460 G HA3 -0.284 3.677 3.960 0.001 0.000 0.224 460 G C 0.204 175.228 174.900 0.208 0.000 0.990 460 G CA -0.442 44.785 45.100 0.213 0.000 0.639 460 G HN 0.199 nan 8.290 nan 0.000 0.514 461 Y N 2.533 122.951 120.300 0.198 0.000 2.607 461 Y HA 0.428 4.978 4.550 0.001 0.000 0.348 461 Y C 1.138 177.173 175.900 0.224 0.000 1.261 461 Y CA 0.509 58.722 58.100 0.189 0.000 1.480 461 Y CB 0.526 39.146 38.460 0.267 0.000 1.358 461 Y HN 0.505 nan 8.280 nan 0.000 0.630 462 D N -0.928 119.681 120.400 0.349 0.000 2.812 462 D HA 0.080 4.720 4.640 0.001 0.000 0.318 462 D C 0.264 176.721 176.300 0.263 0.000 1.234 462 D CA -0.447 53.708 54.000 0.259 0.000 0.989 462 D CB 0.179 41.068 40.800 0.148 0.000 1.442 462 D HN 0.427 nan 8.370 nan 0.000 0.537 463 D N -0.497 120.010 120.400 0.178 0.000 2.322 463 D HA -0.155 4.486 4.640 0.001 0.000 0.210 463 D C 1.604 177.991 176.300 0.145 0.000 0.983 463 D CA 1.967 56.053 54.000 0.144 0.000 0.902 463 D CB -0.164 40.701 40.800 0.108 0.000 0.905 463 D HN 0.451 nan 8.370 nan 0.000 0.483 464 A N -0.585 122.334 122.820 0.165 0.000 1.975 464 A HA 0.026 4.346 4.320 0.001 0.000 0.215 464 A C 0.864 178.588 177.584 0.234 0.000 1.170 464 A CA 0.128 52.256 52.037 0.152 0.000 0.656 464 A CB -0.690 18.374 19.000 0.107 0.000 0.821 464 A HN 0.442 nan 8.150 nan 0.000 0.449 465 W N 1.923 123.265 121.300 0.070 0.000 2.253 465 W HA 0.295 4.956 4.660 0.001 0.000 0.322 465 W C 1.203 177.769 176.519 0.077 0.000 1.342 465 W CA -0.862 56.533 57.345 0.085 0.000 1.218 465 W CB 0.747 30.300 29.460 0.154 0.000 1.205 465 W HN 0.272 nan 8.180 nan 0.000 0.551 466 K N 3.189 123.690 120.400 0.169 0.000 2.152 466 K HA -0.184 4.137 4.320 0.001 0.000 0.206 466 K C 1.435 177.851 176.600 -0.307 0.000 1.048 466 K CA 1.928 58.182 56.287 -0.056 0.000 0.933 466 K CB -0.009 32.497 32.500 0.010 0.000 0.721 466 K HN 0.452 nan 8.250 nan 0.000 0.447 467 V N 1.414 120.834 119.914 -0.823 0.000 2.407 467 V HA -0.238 3.882 4.120 0.001 0.000 0.248 467 V C 2.225 178.035 176.094 -0.474 0.000 1.055 467 V CA 1.623 63.429 62.300 -0.824 0.000 1.049 467 V CB -0.291 30.644 31.823 -1.479 0.000 0.662 467 V HN 0.346 nan 8.190 nan 0.000 0.455 468 I N -0.368 119.952 120.570 -0.416 0.000 2.439 468 I HA -0.166 4.005 4.170 0.001 0.000 0.251 468 I C 2.708 178.837 176.117 0.020 0.000 1.139 468 I CA 1.253 62.538 61.300 -0.025 0.000 1.438 468 I CB -0.342 37.763 38.000 0.174 0.000 1.085 468 I HN 0.247 nan 8.210 nan 0.000 0.427 469 R N 1.534 122.027 120.500 -0.012 0.000 2.073 469 R HA -0.110 4.230 4.340 0.001 0.000 0.229 469 R C 2.397 178.693 176.300 -0.006 0.000 1.120 469 R CA 1.086 57.195 56.100 0.014 0.000 0.967 469 R CB -0.062 30.248 30.300 0.016 0.000 0.862 469 R HN 0.264 nan 8.270 nan 0.000 0.436 470 R N 0.148 120.613 120.500 -0.058 0.000 2.127 470 R HA -0.116 4.225 4.340 0.001 0.000 0.238 470 R C 2.254 178.537 176.300 -0.028 0.000 1.134 470 R CA 1.377 57.436 56.100 -0.069 0.000 0.975 470 R CB -0.368 29.844 30.300 -0.147 0.000 0.865 470 R HN 0.261 nan 8.270 nan 0.000 0.447 471 A N 0.962 123.780 122.820 -0.003 0.000 1.854 471 A HA -0.052 4.269 4.320 0.001 0.000 0.214 471 A C 2.388 180.065 177.584 0.155 0.000 1.192 471 A CA 1.030 53.123 52.037 0.095 0.000 0.611 471 A CB -0.484 18.636 19.000 0.200 0.000 0.832 471 A HN 0.094 nan 8.150 nan 0.000 0.442 472 V N 0.567 120.543 119.914 0.103 0.000 2.568 472 V HA -0.211 3.910 4.120 0.001 0.000 0.253 472 V C 2.518 178.654 176.094 0.071 0.000 1.072 472 V CA 2.057 64.410 62.300 0.088 0.000 1.084 472 V CB -0.766 31.108 31.823 0.084 0.000 0.676 472 V HN 0.471 nan 8.190 nan 0.000 0.469 473 E N -0.487 119.749 120.200 0.060 0.000 2.072 473 E HA -0.215 4.136 4.350 0.001 0.000 0.191 473 E C 2.037 178.677 176.600 0.067 0.000 0.985 473 E CA 1.482 57.903 56.400 0.035 0.000 0.801 473 E CB -0.398 29.316 29.700 0.024 0.000 0.750 473 E HN 0.773 nan 8.360 nan 0.000 0.452 474 Y N 1.304 121.599 120.300 -0.008 0.000 2.181 474 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 474 Y C 2.138 178.076 175.900 0.063 0.000 1.146 474 Y CA 1.435 59.538 58.100 0.006 0.000 1.164 474 Y CB -0.401 38.043 38.460 -0.027 0.000 0.982 474 Y HN -0.056 nan 8.280 nan 0.000 0.515 475 L N 0.027 121.201 121.223 -0.081 0.000 2.056 475 L HA -0.198 4.143 4.340 0.001 0.000 0.207 475 L C 2.544 179.529 176.870 0.192 0.000 1.078 475 L CA 1.560 56.344 54.840 -0.092 0.000 0.749 475 L CB -0.545 41.447 42.059 -0.112 0.000 0.901 475 L HN 0.098 nan 8.230 nan 0.000 0.433 476 K N 0.014 120.498 120.400 0.141 0.000 2.063 476 K HA -0.173 4.148 4.320 0.001 0.000 0.208 476 K C 2.239 178.854 176.600 0.026 0.000 1.048 476 K CA 1.384 57.735 56.287 0.107 0.000 0.928 476 K CB -0.079 32.349 32.500 -0.119 0.000 0.713 476 K HN 0.313 nan 8.250 nan 0.000 0.442 477 R N 0.414 120.894 120.500 -0.033 0.000 2.115 477 R HA -0.060 4.281 4.340 0.001 0.000 0.226 477 R C 1.854 178.105 176.300 -0.082 0.000 1.100 477 R CA 0.772 56.836 56.100 -0.060 0.000 0.980 477 R CB -0.021 30.248 30.300 -0.050 0.000 0.875 477 R HN 0.173 nan 8.270 nan 0.000 0.445 478 E N 1.219 121.349 120.200 -0.116 0.000 2.299 478 E HA -0.082 4.268 4.350 0.001 0.000 0.193 478 E C 0.526 177.097 176.600 -0.048 0.000 0.998 478 E CA 0.146 56.484 56.400 -0.102 0.000 0.851 478 E CB -0.011 29.550 29.700 -0.233 0.000 0.795 478 E HN 0.325 nan 8.360 nan 0.000 0.492 479 Q N 1.968 121.730 119.800 -0.062 0.000 2.368 479 Q HA -0.105 4.235 4.340 0.001 0.000 0.331 479 Q C -0.275 175.477 176.000 -0.414 0.000 1.086 479 Q CA 0.448 55.887 55.803 -0.606 0.000 1.031 479 Q CB 0.563 28.885 28.738 -0.694 0.000 1.125 479 Q HN -0.288 nan 8.270 nan 0.000 0.389 480 K N 4.750 124.878 120.400 -0.453 0.000 2.219 480 K HA 0.107 4.428 4.320 0.001 0.000 0.258 480 K C -1.808 174.625 176.600 -0.279 0.000 1.008 480 K CA -1.947 54.179 56.287 -0.269 0.000 0.928 480 K CB 0.012 32.388 32.500 -0.208 0.000 0.983 480 K HN 0.493 nan 8.250 nan 0.000 0.484 481 P HA -0.199 nan 4.420 nan 0.000 0.216 481 P C 0.326 177.547 177.300 -0.132 0.000 1.154 481 P CA 1.530 64.552 63.100 -0.130 0.000 0.865 481 P CB 0.115 31.766 31.700 -0.082 0.000 0.789 482 D N -1.862 118.447 120.400 -0.151 0.000 2.323 482 D HA 0.055 4.696 4.640 0.001 0.000 0.239 482 D C 1.177 177.346 176.300 -0.218 0.000 1.129 482 D CA 0.604 54.553 54.000 -0.085 0.000 0.865 482 D CB -0.987 39.845 40.800 0.053 0.000 0.913 482 D HN 0.237 nan 8.370 nan 0.000 0.517 483 G N 0.909 109.501 108.800 -0.347 0.000 2.168 483 G HA2 -0.302 3.659 3.960 0.001 0.000 0.257 483 G HA3 -0.302 3.659 3.960 0.001 0.000 0.257 483 G C 0.334 174.767 174.900 -0.777 0.000 0.997 483 G CA 0.633 45.439 45.100 -0.490 0.000 0.708 483 G HN 0.745 nan 8.290 nan 0.000 0.520 484 S N -1.030 114.136 115.700 -0.889 0.000 2.690 484 S HA 0.811 5.282 4.470 0.001 0.000 0.291 484 S C -0.341 173.886 174.600 -0.623 0.000 1.138 484 S CA -0.935 56.689 58.200 -0.961 0.000 1.013 484 S CB 1.999 64.347 63.200 -1.421 0.000 1.053 484 S HN 0.458 nan 8.310 nan 0.000 0.539 485 W N 1.367 122.536 121.300 -0.217 0.000 2.600 485 W HA 0.404 5.065 4.660 0.001 0.000 0.325 485 W C -0.473 176.016 176.519 -0.049 0.000 1.034 485 W CA -1.618 55.674 57.345 -0.088 0.000 1.226 485 W CB 1.519 30.888 29.460 -0.151 0.000 1.379 485 W HN 0.774 nan 8.180 nan 0.000 0.466 486 F N 2.274 122.240 119.950 0.026 0.000 2.595 486 F HA 0.345 4.873 4.527 0.001 0.000 0.359 486 F C 0.727 176.409 175.800 -0.197 0.000 1.147 486 F CA 0.746 58.566 58.000 -0.300 0.000 1.341 486 F CB 0.647 39.576 39.000 -0.119 0.000 1.104 486 F HN 0.270 nan 8.300 nan 0.000 0.603 487 G N 5.334 113.472 108.800 -1.103 0.000 2.588 487 G HA2 0.373 4.333 3.960 0.001 0.000 0.312 487 G HA3 0.373 4.333 3.960 0.001 0.000 0.312 487 G C 0.208 174.620 174.900 -0.814 0.000 1.257 487 G CA -0.659 44.084 45.100 -0.596 0.000 0.994 487 G HN 0.806 nan 8.290 nan 0.000 0.498 488 R N 2.345 122.549 120.500 -0.494 0.000 2.057 488 R HA 0.029 4.370 4.340 0.001 0.000 0.229 488 R C 0.914 176.908 176.300 -0.511 0.000 1.136 488 R CA 1.323 57.154 56.100 -0.448 0.000 0.952 488 R CB -0.201 29.972 30.300 -0.212 0.000 0.848 488 R HN 0.617 nan 8.270 nan 0.000 0.430 489 W N -0.283 120.998 121.300 -0.031 0.000 3.239 489 W HA 0.517 5.178 4.660 0.001 0.000 0.368 489 W C 0.032 176.417 176.519 -0.224 0.000 1.154 489 W CA 0.114 57.400 57.345 -0.098 0.000 1.860 489 W CB 0.733 30.139 29.460 -0.090 0.000 1.094 489 W HN 0.214 nan 8.180 nan 0.000 0.643 490 G N -0.172 108.481 108.800 -0.244 0.000 2.746 490 G HA2 0.424 4.384 3.960 0.001 0.000 0.297 490 G HA3 0.424 4.384 3.960 0.001 0.000 0.297 490 G C -1.507 173.222 174.900 -0.285 0.000 1.426 490 G CA -0.816 43.785 45.100 -0.832 0.000 0.989 490 G HN -0.240 nan 8.290 nan 0.000 0.520 491 V N 2.758 122.692 119.914 0.033 0.000 2.387 491 V HA 0.289 4.410 4.120 0.001 0.000 0.260 491 V C 0.506 176.726 176.094 0.210 0.000 1.054 491 V CA 0.001 62.412 62.300 0.185 0.000 0.967 491 V CB 0.431 32.396 31.823 0.236 0.000 1.036 491 V HN 0.858 nan 8.190 nan 0.000 0.481 492 N N 3.607 122.365 118.700 0.096 0.000 2.796 492 N HA 0.041 4.782 4.740 0.001 0.000 0.334 492 N C 1.054 176.403 175.510 -0.268 0.000 1.095 492 N CA 0.089 53.004 53.050 -0.226 0.000 1.617 492 N CB -0.053 38.089 38.487 -0.575 0.000 0.807 492 N HN 0.293 nan 8.380 nan 0.000 1.462 493 Y N 1.835 122.110 120.300 -0.042 0.000 2.395 493 Y HA 0.329 4.879 4.550 0.001 0.000 0.293 493 Y C 2.246 178.128 175.900 -0.030 0.000 1.123 493 Y CA 0.594 58.642 58.100 -0.086 0.000 1.227 493 Y CB 0.048 38.430 38.460 -0.130 0.000 1.012 493 Y HN 0.146 nan 8.280 nan 0.000 0.552 494 L N -1.576 119.834 121.223 0.312 0.000 2.156 494 L HA -0.219 4.122 4.340 0.001 0.000 0.208 494 L C 2.207 179.190 176.870 0.187 0.000 1.095 494 L CA 1.128 56.159 54.840 0.318 0.000 0.770 494 L CB -0.386 41.890 42.059 0.361 0.000 0.914 494 L HN 0.269 nan 8.230 nan 0.000 0.439 495 Y N 0.446 120.711 120.300 -0.059 0.000 2.130 495 Y HA -0.117 4.433 4.550 0.001 0.000 0.287 495 Y C 2.284 177.900 175.900 -0.473 0.000 1.124 495 Y CA 1.525 59.291 58.100 -0.557 0.000 1.118 495 Y CB -0.855 37.195 38.460 -0.684 0.000 0.994 495 Y HN 0.042 nan 8.280 nan 0.000 0.497 496 G N -0.974 107.599 108.800 -0.379 0.000 2.459 496 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 496 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 496 G C 1.666 176.410 174.900 -0.259 0.000 1.183 496 G CA 1.634 46.497 45.100 -0.395 0.000 0.776 496 G HN 0.436 nan 8.290 nan 0.000 0.552 497 T N 1.026 115.537 114.554 -0.072 0.000 2.720 497 T HA -0.074 4.277 4.350 0.001 0.000 0.268 497 T C 2.481 177.135 174.700 -0.077 0.000 1.037 497 T CA 1.598 63.736 62.100 0.065 0.000 1.144 497 T CB -0.682 68.187 68.868 0.001 0.000 0.864 497 T HN 0.375 nan 8.240 nan 0.000 0.444 498 G N 1.163 109.873 108.800 -0.149 0.000 2.446 498 G HA2 -0.100 3.861 3.960 0.001 0.000 0.217 498 G HA3 -0.100 3.861 3.960 0.001 0.000 0.217 498 G C 1.843 176.589 174.900 -0.256 0.000 1.168 498 G CA 1.027 46.022 45.100 -0.175 0.000 0.771 498 G HN 0.591 nan 8.290 nan 0.000 0.551 499 A N 0.037 122.608 122.820 -0.415 0.000 1.865 499 A HA 0.038 4.359 4.320 0.001 0.000 0.217 499 A C 2.643 179.999 177.584 -0.379 0.000 1.191 499 A CA 2.118 53.901 52.037 -0.422 0.000 0.623 499 A CB -0.784 17.805 19.000 -0.684 0.000 0.826 499 A HN 0.283 nan 8.150 nan 0.000 0.444 500 V N -0.449 119.173 119.914 -0.486 0.000 2.223 500 V HA -0.245 3.876 4.120 0.001 0.000 0.244 500 V C 2.547 178.364 176.094 -0.462 0.000 1.045 500 V CA 2.034 63.948 62.300 -0.643 0.000 1.000 500 V CB -1.111 29.920 31.823 -1.320 0.000 0.635 500 V HN 0.347 nan 8.190 nan 0.000 0.445 501 V N 0.083 119.789 119.914 -0.347 0.000 2.370 501 V HA -0.309 3.812 4.120 0.001 0.000 0.252 501 V C 2.734 178.738 176.094 -0.150 0.000 1.068 501 V CA 2.526 64.717 62.300 -0.181 0.000 1.061 501 V CB -0.811 30.978 31.823 -0.057 0.000 0.656 501 V HN 0.643 nan 8.190 nan 0.000 0.455 502 S N -0.676 114.934 115.700 -0.151 0.000 2.383 502 S HA -0.132 4.338 4.470 0.001 0.000 0.227 502 S C 2.054 176.575 174.600 -0.133 0.000 1.026 502 S CA 1.522 59.657 58.200 -0.109 0.000 0.981 502 S CB -0.203 62.951 63.200 -0.078 0.000 0.818 502 S HN 0.626 nan 8.310 nan 0.000 0.472 503 A N 1.686 124.396 122.820 -0.183 0.000 1.840 503 A HA 0.158 4.479 4.320 0.001 0.000 0.214 503 A C 2.173 179.668 177.584 -0.149 0.000 1.198 503 A CA 1.246 53.166 52.037 -0.195 0.000 0.608 503 A CB -1.008 17.856 19.000 -0.227 0.000 0.839 503 A HN 0.541 nan 8.150 nan 0.000 0.443 504 L N -0.406 120.725 121.223 -0.154 0.000 2.137 504 L HA -0.245 4.095 4.340 0.001 0.000 0.213 504 L C 2.659 179.497 176.870 -0.052 0.000 1.085 504 L CA 1.645 56.433 54.840 -0.087 0.000 0.760 504 L CB -0.451 41.547 42.059 -0.102 0.000 0.893 504 L HN 0.336 nan 8.230 nan 0.000 0.434 505 K N 0.558 120.915 120.400 -0.071 0.000 2.097 505 K HA -0.102 4.218 4.320 0.001 0.000 0.205 505 K C 2.006 178.584 176.600 -0.037 0.000 1.050 505 K CA 1.566 57.826 56.287 -0.045 0.000 0.938 505 K CB -0.093 32.379 32.500 -0.046 0.000 0.718 505 K HN 0.285 nan 8.250 nan 0.000 0.442 506 A N 0.670 123.450 122.820 -0.067 0.000 2.067 506 A HA -0.048 4.273 4.320 0.001 0.000 0.217 506 A C 1.688 179.256 177.584 -0.027 0.000 1.156 506 A CA 1.188 53.180 52.037 -0.075 0.000 0.683 506 A CB -0.238 18.662 19.000 -0.167 0.000 0.808 506 A HN 0.149 nan 8.150 nan 0.000 0.455 507 V N -3.457 116.457 119.914 0.000 0.000 3.337 507 V HA 0.541 4.662 4.120 0.001 0.000 0.343 507 V C 1.283 177.424 176.094 0.079 0.000 1.302 507 V CA 0.427 62.770 62.300 0.072 0.000 1.268 507 V CB -1.136 30.745 31.823 0.098 0.000 1.185 507 V HN 1.196 nan 8.190 nan 0.000 0.447 508 G N 0.328 109.159 108.800 0.051 0.000 2.284 508 G HA2 -0.269 3.691 3.960 0.001 0.000 0.261 508 G HA3 -0.269 3.691 3.960 0.001 0.000 0.261 508 G C 0.238 175.171 174.900 0.054 0.000 0.997 508 G CA 0.261 45.393 45.100 0.053 0.000 0.621 508 G HN 0.487 nan 8.290 nan 0.000 0.534 509 I N 1.641 122.248 120.570 0.062 0.000 3.185 509 I HA 0.026 4.197 4.170 0.001 0.000 0.300 509 I C 0.732 176.885 176.117 0.060 0.000 1.245 509 I CA 0.290 61.637 61.300 0.079 0.000 1.413 509 I CB 0.071 38.131 38.000 0.100 0.000 1.324 509 I HN 0.288 nan 8.210 nan 0.000 0.588 510 D N 2.516 122.962 120.400 0.076 0.000 2.339 510 D HA 0.083 4.724 4.640 0.001 0.000 0.241 510 D C 1.356 177.673 176.300 0.029 0.000 1.183 510 D CA -0.119 53.914 54.000 0.055 0.000 0.859 510 D CB 0.798 41.638 40.800 0.068 0.000 1.067 510 D HN 0.659 nan 8.370 nan 0.000 0.484 511 T N 1.487 116.045 114.554 0.006 0.000 2.996 511 T HA -0.213 4.137 4.350 0.001 0.000 0.271 511 T C 1.674 176.363 174.700 -0.019 0.000 1.126 511 T CA 0.792 62.880 62.100 -0.021 0.000 1.103 511 T CB -0.092 68.769 68.868 -0.011 0.000 0.870 511 T HN 0.400 nan 8.240 nan 0.000 0.528 512 R N 0.647 121.152 120.500 0.009 0.000 2.200 512 R HA 0.067 4.408 4.340 0.001 0.000 0.208 512 R C 0.421 176.739 176.300 0.031 0.000 1.033 512 R CA 0.026 56.138 56.100 0.020 0.000 1.000 512 R CB 0.005 30.324 30.300 0.031 0.000 0.906 512 R HN 0.441 nan 8.270 nan 0.000 0.462 513 E N 0.770 120.999 120.200 0.049 0.000 2.556 513 E HA -0.144 4.206 4.350 0.001 0.000 0.273 513 E C -1.864 174.795 176.600 0.099 0.000 1.123 513 E CA -0.486 55.987 56.400 0.123 0.000 1.033 513 E CB 0.223 30.085 29.700 0.271 0.000 1.025 513 E HN 0.146 nan 8.360 nan 0.000 0.465 514 P HA -0.141 nan 4.420 nan 0.000 0.213 514 P C 1.419 178.804 177.300 0.142 0.000 1.170 514 P CA 1.477 64.659 63.100 0.136 0.000 0.889 514 P CB -0.246 31.535 31.700 0.134 0.000 0.782 515 Y N -0.808 119.506 120.300 0.024 0.000 2.298 515 Y HA -0.170 4.381 4.550 0.001 0.000 0.287 515 Y C 1.790 177.717 175.900 0.046 0.000 1.164 515 Y CA 0.733 58.837 58.100 0.007 0.000 1.229 515 Y CB -1.970 36.505 38.460 0.025 0.000 0.977 515 Y HN -0.108 nan 8.280 nan 0.000 0.538 516 I N 0.558 120.793 120.570 -0.558 0.000 2.193 516 I HA -0.200 3.971 4.170 0.001 0.000 0.240 516 I C 2.418 178.461 176.117 -0.123 0.000 1.084 516 I CA 1.188 62.245 61.300 -0.404 0.000 1.365 516 I CB -1.334 36.427 38.000 -0.398 0.000 1.064 516 I HN 0.297 nan 8.210 nan 0.000 0.410 517 Q N 0.895 120.654 119.800 -0.069 0.000 2.096 517 Q HA -0.249 4.092 4.340 0.001 0.000 0.204 517 Q C 2.179 178.192 176.000 0.020 0.000 0.982 517 Q CA 1.431 57.233 55.803 -0.002 0.000 0.850 517 Q CB -0.543 28.206 28.738 0.017 0.000 0.901 517 Q HN 0.472 nan 8.270 nan 0.000 0.422 518 K N 0.072 120.478 120.400 0.009 0.000 2.360 518 K HA -0.111 4.209 4.320 0.001 0.000 0.201 518 K C 1.744 178.357 176.600 0.020 0.000 1.046 518 K CA 0.965 57.264 56.287 0.019 0.000 0.940 518 K CB 0.074 32.572 32.500 -0.003 0.000 0.748 518 K HN 0.171 nan 8.250 nan 0.000 0.465 519 A N 0.416 123.230 122.820 -0.010 0.000 1.871 519 A HA 0.001 4.322 4.320 0.001 0.000 0.211 519 A C 1.863 179.537 177.584 0.150 0.000 1.207 519 A CA 0.513 52.553 52.037 0.007 0.000 0.620 519 A CB -0.359 18.648 19.000 0.011 0.000 0.860 519 A HN 0.197 nan 8.150 nan 0.000 0.450 520 L N 0.531 121.821 121.223 0.112 0.000 2.042 520 L HA -0.218 4.123 4.340 0.001 0.000 0.210 520 L C 1.964 178.941 176.870 0.177 0.000 1.076 520 L CA 1.894 56.812 54.840 0.130 0.000 0.749 520 L CB -0.755 41.351 42.059 0.079 0.000 0.893 520 L HN 0.274 nan 8.230 nan 0.000 0.432 521 D N -1.273 119.222 120.400 0.159 0.000 2.116 521 D HA -0.271 4.369 4.640 0.001 0.000 0.193 521 D C 1.856 178.291 176.300 0.224 0.000 0.998 521 D CA 1.217 55.312 54.000 0.158 0.000 0.836 521 D CB -0.392 40.482 40.800 0.124 0.000 0.951 521 D HN 0.460 nan 8.370 nan 0.000 0.449 522 W N 1.153 122.492 121.300 0.065 0.000 2.338 522 W HA -0.237 4.424 4.660 0.001 0.000 0.304 522 W C 2.126 178.749 176.519 0.174 0.000 1.212 522 W CA 1.374 58.778 57.345 0.098 0.000 1.264 522 W CB -0.251 29.201 29.460 -0.013 0.000 1.142 522 W HN -0.208 nan 8.180 nan 0.000 0.512 523 V N 0.888 121.085 119.914 0.471 0.000 2.270 523 V HA -0.306 3.814 4.120 0.001 0.000 0.245 523 V C 2.160 178.483 176.094 0.382 0.000 1.043 523 V CA 2.416 64.904 62.300 0.315 0.000 1.014 523 V CB -0.977 30.951 31.823 0.175 0.000 0.645 523 V HN 0.189 nan 8.190 nan 0.000 0.447 524 E N -0.304 120.086 120.200 0.317 0.000 2.118 524 E HA -0.296 4.054 4.350 0.001 0.000 0.195 524 E C 2.227 178.935 176.600 0.180 0.000 0.992 524 E CA 1.314 57.906 56.400 0.320 0.000 0.804 524 E CB -0.184 29.629 29.700 0.188 0.000 0.741 524 E HN 0.643 nan 8.360 nan 0.000 0.458 525 Q N -0.414 119.447 119.800 0.101 0.000 2.437 525 Q HA -0.131 4.209 4.340 0.001 0.000 0.210 525 Q C 0.703 176.572 176.000 -0.219 0.000 0.972 525 Q CA 0.809 56.580 55.803 -0.054 0.000 0.903 525 Q CB 0.091 28.784 28.738 -0.074 0.000 0.967 525 Q HN 0.374 nan 8.270 nan 0.000 0.486 526 H N -1.314 117.637 119.070 -0.198 0.000 2.672 526 H HA 0.168 4.724 4.556 0.001 0.000 0.277 526 H C -0.344 174.835 175.328 -0.248 0.000 1.074 526 H CA -0.243 55.659 56.048 -0.242 0.000 1.173 526 H CB 0.423 29.951 29.762 -0.389 0.000 1.558 526 H HN 0.097 nan 8.280 nan 0.000 0.539 527 Q N 1.687 121.262 119.800 -0.375 0.000 2.300 527 Q HA -0.013 4.328 4.340 0.001 0.000 0.280 527 Q C -0.133 175.543 176.000 -0.540 0.000 1.033 527 Q CA -0.209 54.999 55.803 -0.991 0.000 0.903 527 Q CB 0.520 28.636 28.738 -1.036 0.000 1.195 527 Q HN 0.397 nan 8.270 nan 0.000 0.386 528 N N 4.165 122.581 118.700 -0.473 0.000 2.317 528 N HA 0.048 4.789 4.740 0.001 0.000 0.245 528 N C -1.864 173.508 175.510 -0.230 0.000 1.294 528 N CA -1.060 51.834 53.050 -0.260 0.000 0.924 528 N CB 0.073 38.459 38.487 -0.169 0.000 1.186 528 N HN 0.477 nan 8.380 nan 0.000 0.495 529 P HA -0.098 nan 4.420 nan 0.000 0.217 529 P C 0.122 177.374 177.300 -0.081 0.000 1.150 529 P CA 1.199 64.233 63.100 -0.109 0.000 0.832 529 P CB -0.007 31.649 31.700 -0.073 0.000 0.787 530 D N -1.592 118.786 120.400 -0.037 0.000 2.368 530 D HA 0.043 4.683 4.640 0.001 0.000 0.250 530 D C 1.468 177.828 176.300 0.101 0.000 1.142 530 D CA 0.890 54.919 54.000 0.048 0.000 0.925 530 D CB -1.040 39.841 40.800 0.134 0.000 0.896 530 D HN 0.253 nan 8.370 nan 0.000 0.525 531 G N -0.989 107.772 108.800 -0.064 0.000 2.640 531 G HA2 -0.256 3.705 3.960 0.001 0.000 0.226 531 G HA3 -0.256 3.705 3.960 0.001 0.000 0.226 531 G C 0.796 175.492 174.900 -0.341 0.000 1.222 531 G CA 0.138 45.162 45.100 -0.126 0.000 0.729 531 G HN 0.864 nan 8.290 nan 0.000 0.516 532 G N -1.147 107.488 108.800 -0.275 0.000 2.553 532 G HA2 0.447 4.407 3.960 0.001 0.000 0.278 532 G HA3 0.447 4.407 3.960 0.001 0.000 0.278 532 G C -0.126 174.473 174.900 -0.501 0.000 1.349 532 G CA 0.013 44.754 45.100 -0.600 0.000 1.037 532 G HN 0.415 nan 8.290 nan 0.000 0.508 533 W N -1.676 119.409 121.300 -0.358 0.000 2.882 533 W HA 0.605 5.266 4.660 0.001 0.000 0.345 533 W C 0.078 176.481 176.519 -0.194 0.000 1.125 533 W CA -0.563 56.665 57.345 -0.195 0.000 1.167 533 W CB 2.404 31.794 29.460 -0.117 0.000 1.431 533 W HN 0.856 nan 8.180 nan 0.000 0.543 534 G N 1.051 109.931 108.800 0.133 0.000 2.720 534 G HA2 0.483 4.443 3.960 0.001 0.000 0.295 534 G HA3 0.483 4.443 3.960 0.001 0.000 0.295 534 G C -2.179 172.768 174.900 0.080 0.000 1.437 534 G CA -0.606 44.516 45.100 0.037 0.000 0.886 534 G HN 0.332 nan 8.290 nan 0.000 0.509 535 E N 0.575 120.805 120.200 0.050 0.000 2.294 535 E HA 0.359 4.710 4.350 0.001 0.000 0.272 535 E C -1.608 174.981 176.600 -0.018 0.000 0.896 535 E CA -0.638 55.812 56.400 0.082 0.000 0.802 535 E CB 2.161 31.959 29.700 0.163 0.000 1.267 535 E HN 0.422 nan 8.360 nan 0.000 0.406 536 D N 2.379 122.738 120.400 -0.069 0.000 2.304 536 D HA 0.103 4.744 4.640 0.001 0.000 0.247 536 D C 0.521 176.653 176.300 -0.279 0.000 1.089 536 D CA -0.380 53.493 54.000 -0.212 0.000 0.910 536 D CB 0.938 41.536 40.800 -0.337 0.000 1.199 536 D HN 0.517 nan 8.370 nan 0.000 0.426 537 C N 2.355 121.376 119.300 -0.464 0.000 2.421 537 C HA -0.037 4.424 4.460 0.001 0.000 0.296 537 C C 2.203 176.883 174.990 -0.517 0.000 1.470 537 C CA 0.233 58.806 59.018 -0.742 0.000 1.779 537 C CB -1.310 25.273 27.740 -1.927 0.000 1.715 537 C HN 0.607 nan 8.230 nan 0.000 0.564 538 R N 1.276 121.543 120.500 -0.388 0.000 2.189 538 R HA -0.079 4.261 4.340 0.001 0.000 0.218 538 R C 2.215 178.524 176.300 0.015 0.000 1.074 538 R CA 1.436 57.423 56.100 -0.188 0.000 0.991 538 R CB -0.286 29.708 30.300 -0.511 0.000 0.883 538 R HN 0.704 nan 8.270 nan 0.000 0.457 539 S N -0.274 115.417 115.700 -0.014 0.000 2.528 539 S HA -0.152 4.318 4.470 0.001 0.000 0.244 539 S C 1.190 175.838 174.600 0.079 0.000 0.982 539 S CA 0.863 59.125 58.200 0.104 0.000 0.953 539 S CB -0.281 62.970 63.200 0.085 0.000 0.754 539 S HN 0.336 nan 8.310 nan 0.000 0.529 540 Y N 1.240 121.667 120.300 0.212 0.000 2.436 540 Y HA 0.290 4.841 4.550 0.001 0.000 0.288 540 Y C 2.574 178.611 175.900 0.227 0.000 1.112 540 Y CA 0.353 58.608 58.100 0.259 0.000 1.220 540 Y CB 0.029 38.651 38.460 0.270 0.000 1.073 540 Y HN 0.224 nan 8.280 nan 0.000 0.552 541 E N 0.095 120.495 120.200 0.334 0.000 2.057 541 E HA -0.053 4.298 4.350 0.001 0.000 0.190 541 E C -0.071 176.665 176.600 0.226 0.000 0.969 541 E CA 1.010 57.567 56.400 0.262 0.000 0.812 541 E CB -0.123 29.723 29.700 0.243 0.000 0.777 541 E HN 0.353 nan 8.360 nan 0.000 0.455 542 D N 0.573 121.120 120.400 0.245 0.000 2.542 542 D HA 0.103 4.744 4.640 0.001 0.000 0.252 542 D C -1.948 174.491 176.300 0.232 0.000 1.222 542 D CA -2.046 52.090 54.000 0.225 0.000 0.895 542 D CB 1.941 42.882 40.800 0.234 0.000 1.207 542 D HN -0.255 nan 8.370 nan 0.000 0.558 543 P HA -0.256 nan 4.420 nan 0.000 0.219 543 P C 1.070 178.422 177.300 0.086 0.000 1.145 543 P CA 1.069 64.242 63.100 0.121 0.000 0.813 543 P CB 0.115 31.860 31.700 0.074 0.000 0.771 544 A N -2.042 120.808 122.820 0.051 0.000 2.248 544 A HA -0.126 4.195 4.320 0.001 0.000 0.210 544 A C 1.494 178.994 177.584 -0.139 0.000 1.174 544 A CA 0.802 52.800 52.037 -0.065 0.000 0.750 544 A CB -1.280 17.639 19.000 -0.136 0.000 0.780 544 A HN 0.160 nan 8.150 nan 0.000 0.478 545 Y N -0.978 119.362 120.300 0.066 0.000 2.467 545 Y HA 0.454 5.004 4.550 0.001 0.000 0.250 545 Y C 1.454 177.414 175.900 0.100 0.000 1.155 545 Y CA -0.513 57.629 58.100 0.070 0.000 1.249 545 Y CB 0.018 38.517 38.460 0.064 0.000 1.146 545 Y HN 0.261 nan 8.280 nan 0.000 0.524 546 A N 0.312 123.276 122.820 0.240 0.000 2.537 546 A HA 0.393 4.714 4.320 0.001 0.000 0.260 546 A C 1.649 179.390 177.584 0.261 0.000 1.082 546 A CA 1.015 53.182 52.037 0.218 0.000 0.765 546 A CB -1.017 17.926 19.000 -0.096 0.000 1.019 546 A HN 0.922 nan 8.150 nan 0.000 0.507 547 G N 2.215 111.202 108.800 0.311 0.000 2.184 547 G HA2 -0.249 3.712 3.960 0.001 0.000 0.264 547 G HA3 -0.249 3.712 3.960 0.001 0.000 0.264 547 G C 0.267 175.329 174.900 0.269 0.000 0.975 547 G CA 0.882 46.093 45.100 0.185 0.000 0.642 547 G HN 0.818 nan 8.290 nan 0.000 0.536 548 K N 0.317 120.871 120.400 0.257 0.000 2.164 548 K HA 0.659 4.979 4.320 0.001 0.000 0.258 548 K C 0.358 177.081 176.600 0.206 0.000 0.951 548 K CA 0.023 56.423 56.287 0.189 0.000 0.844 548 K CB 1.976 34.552 32.500 0.126 0.000 1.099 548 K HN 1.036 nan 8.250 nan 0.000 0.435 549 G N 0.284 109.150 108.800 0.109 0.000 2.350 549 G HA2 0.324 4.285 3.960 0.001 0.000 0.304 549 G HA3 0.324 4.285 3.960 0.001 0.000 0.304 549 G C -1.620 173.240 174.900 -0.065 0.000 1.421 549 G CA -0.711 44.403 45.100 0.024 0.000 0.934 549 G HN 0.631 nan 8.290 nan 0.000 0.632 550 A N 0.495 123.201 122.820 -0.190 0.000 2.477 550 A HA 0.629 4.949 4.320 0.001 0.000 0.246 550 A C 1.094 178.605 177.584 -0.121 0.000 1.078 550 A CA 0.748 52.688 52.037 -0.162 0.000 0.770 550 A CB 0.007 18.855 19.000 -0.252 0.000 1.011 550 A HN 1.706 nan 8.150 nan 0.000 0.494 551 S N 1.063 116.749 115.700 -0.024 0.000 2.552 551 S HA 0.392 4.862 4.470 0.001 0.000 0.289 551 S C 0.720 175.342 174.600 0.037 0.000 1.304 551 S CA 0.570 58.734 58.200 -0.059 0.000 1.063 551 S CB 0.160 63.277 63.200 -0.138 0.000 0.848 551 S HN 1.061 nan 8.310 nan 0.000 0.499 552 T N 0.579 115.100 114.554 -0.056 0.000 2.906 552 T HA 0.492 4.843 4.350 0.001 0.000 0.295 552 T C -2.678 171.956 174.700 -0.110 0.000 1.061 552 T CA -2.165 59.949 62.100 0.024 0.000 1.000 552 T CB 1.805 70.680 68.868 0.013 0.000 1.103 552 T HN 0.100 nan 8.240 nan 0.000 0.486 553 P HA -0.113 nan 4.420 nan 0.000 0.218 553 P C 1.831 178.896 177.300 -0.392 0.000 1.149 553 P CA 1.281 64.251 63.100 -0.216 0.000 0.817 553 P CB 0.065 31.604 31.700 -0.267 0.000 0.785 554 S N -0.573 114.881 115.700 -0.409 0.000 2.348 554 S HA -0.172 4.299 4.470 0.001 0.000 0.219 554 S C 2.038 175.870 174.600 -1.280 0.000 1.033 554 S CA 0.800 58.546 58.200 -0.756 0.000 0.974 554 S CB -1.422 61.381 63.200 -0.662 0.000 0.868 554 S HN 0.147 nan 8.310 nan 0.000 0.459 555 Q N 0.673 119.904 119.800 -0.948 0.000 2.226 555 Q HA -0.042 4.299 4.340 0.001 0.000 0.204 555 Q C 2.178 178.008 176.000 -0.284 0.000 0.975 555 Q CA 1.645 57.096 55.803 -0.587 0.000 0.866 555 Q CB -0.545 28.079 28.738 -0.190 0.000 0.915 555 Q HN 0.608 nan 8.270 nan 0.000 0.440 556 T N 0.720 115.105 114.554 -0.281 0.000 2.701 556 T HA -0.124 4.227 4.350 0.001 0.000 0.263 556 T C 1.946 176.525 174.700 -0.201 0.000 1.040 556 T CA 1.200 63.231 62.100 -0.114 0.000 1.147 556 T CB -0.315 68.407 68.868 -0.244 0.000 0.865 556 T HN 0.410 nan 8.240 nan 0.000 0.426 557 A N 0.879 123.521 122.820 -0.296 0.000 1.986 557 A HA -0.142 4.178 4.320 0.001 0.000 0.220 557 A C 2.093 179.608 177.584 -0.115 0.000 1.171 557 A CA 1.452 53.354 52.037 -0.225 0.000 0.640 557 A CB -0.906 17.948 19.000 -0.243 0.000 0.811 557 A HN 0.596 nan 8.150 nan 0.000 0.451 558 W N -0.654 120.487 121.300 -0.265 0.000 2.409 558 W HA 0.082 4.742 4.660 0.001 0.000 0.299 558 W C 2.794 179.121 176.519 -0.319 0.000 1.203 558 W CA 0.572 57.744 57.345 -0.289 0.000 1.298 558 W CB -1.247 28.054 29.460 -0.264 0.000 1.127 558 W HN 0.421 nan 8.180 nan 0.000 0.528 559 A N -0.290 122.381 122.820 -0.248 0.000 1.969 559 A HA -0.105 4.216 4.320 0.001 0.000 0.218 559 A C 2.006 179.225 177.584 -0.610 0.000 1.169 559 A CA 1.107 52.751 52.037 -0.655 0.000 0.635 559 A CB -0.770 17.225 19.000 -1.676 0.000 0.810 559 A HN 0.123 nan 8.150 nan 0.000 0.445 560 L N -0.498 120.453 121.223 -0.452 0.000 2.083 560 L HA -0.085 4.256 4.340 0.001 0.000 0.209 560 L C 2.538 179.334 176.870 -0.124 0.000 1.083 560 L CA 1.752 56.441 54.840 -0.253 0.000 0.752 560 L CB -0.760 41.207 42.059 -0.153 0.000 0.899 560 L HN 0.432 nan 8.230 nan 0.000 0.433 561 M N -1.975 117.575 119.600 -0.084 0.000 2.254 561 M HA -0.091 4.389 4.480 0.001 0.000 0.265 561 M C 2.223 178.494 176.300 -0.047 0.000 1.066 561 M CA 1.380 56.663 55.300 -0.029 0.000 1.123 561 M CB -0.486 32.120 32.600 0.010 0.000 1.388 561 M HN 0.266 nan 8.290 nan 0.000 0.425 562 A N 0.651 123.421 122.820 -0.083 0.000 1.969 562 A HA -0.066 4.255 4.320 0.001 0.000 0.218 562 A C 2.101 179.661 177.584 -0.040 0.000 1.169 562 A CA 1.231 53.229 52.037 -0.065 0.000 0.635 562 A CB -0.657 18.303 19.000 -0.066 0.000 0.810 562 A HN 0.436 nan 8.150 nan 0.000 0.445 563 L N -0.804 120.385 121.223 -0.057 0.000 2.084 563 L HA -0.028 4.312 4.340 0.001 0.000 0.202 563 L C 2.406 179.291 176.870 0.025 0.000 1.074 563 L CA 0.868 55.705 54.840 -0.005 0.000 0.757 563 L CB -0.497 41.561 42.059 -0.001 0.000 0.918 563 L HN 0.313 nan 8.230 nan 0.000 0.444 564 I N 0.343 120.931 120.570 0.030 0.000 2.264 564 I HA -0.310 3.860 4.170 0.001 0.000 0.248 564 I C 2.783 178.922 176.117 0.035 0.000 1.111 564 I CA 1.226 62.564 61.300 0.064 0.000 1.382 564 I CB -0.491 37.559 38.000 0.083 0.000 1.060 564 I HN 0.231 nan 8.210 nan 0.000 0.418 565 A N 0.886 123.712 122.820 0.011 0.000 1.873 565 A HA -0.065 4.255 4.320 0.001 0.000 0.215 565 A C 2.282 179.864 177.584 -0.003 0.000 1.186 565 A CA 1.662 53.698 52.037 -0.003 0.000 0.616 565 A CB -1.251 17.734 19.000 -0.025 0.000 0.823 565 A HN 0.447 nan 8.150 nan 0.000 0.442 566 G N -2.051 106.749 108.800 -0.001 0.000 3.061 566 G HA2 0.364 4.324 3.960 0.001 0.000 0.208 566 G HA3 0.364 4.324 3.960 0.001 0.000 0.208 566 G C 1.162 176.072 174.900 0.017 0.000 1.175 566 G CA 0.673 45.774 45.100 0.002 0.000 0.812 566 G HN 1.643 nan 8.290 nan 0.000 0.523 567 G N 0.486 109.301 108.800 0.025 0.000 2.299 567 G HA2 -0.302 3.658 3.960 0.001 0.000 0.237 567 G HA3 -0.302 3.658 3.960 0.001 0.000 0.237 567 G C 1.156 176.086 174.900 0.049 0.000 1.027 567 G CA 0.196 45.316 45.100 0.033 0.000 0.619 567 G HN 0.545 nan 8.290 nan 0.000 0.513 568 R N 1.180 121.714 120.500 0.057 0.000 2.389 568 R HA 0.429 4.770 4.340 0.001 0.000 0.210 568 R C 2.483 178.847 176.300 0.108 0.000 1.157 568 R CA 0.604 56.751 56.100 0.077 0.000 1.169 568 R CB -0.263 30.084 30.300 0.079 0.000 1.004 568 R HN 0.530 nan 8.270 nan 0.000 0.482 569 A N 1.338 124.228 122.820 0.115 0.000 1.933 569 A HA -0.180 4.141 4.320 0.001 0.000 0.218 569 A C 1.327 179.062 177.584 0.251 0.000 1.175 569 A CA 0.934 53.087 52.037 0.194 0.000 0.628 569 A CB -0.031 19.059 19.000 0.150 0.000 0.814 569 A HN 0.356 nan 8.150 nan 0.000 0.444 570 E N 0.428 120.719 120.200 0.150 0.000 2.127 570 E HA 0.375 4.725 4.350 0.001 0.000 0.262 570 E C -0.354 176.321 176.600 0.124 0.000 1.144 570 E CA -0.224 56.258 56.400 0.137 0.000 1.144 570 E CB -0.053 29.692 29.700 0.075 0.000 1.297 570 E HN 0.394 nan 8.360 nan 0.000 0.469 571 S N 1.426 117.214 115.700 0.148 0.000 2.732 571 S HA 0.237 4.708 4.470 0.001 0.000 0.293 571 S C 0.585 175.255 174.600 0.115 0.000 1.159 571 S CA -0.597 57.674 58.200 0.118 0.000 0.847 571 S CB 1.577 64.848 63.200 0.118 0.000 1.169 571 S HN 0.384 nan 8.310 nan 0.000 0.501 572 E N 1.332 121.587 120.200 0.091 0.000 2.011 572 E HA 0.234 4.584 4.350 0.001 0.000 0.191 572 E C 2.071 178.717 176.600 0.075 0.000 0.980 572 E CA 1.947 58.390 56.400 0.072 0.000 0.814 572 E CB -0.917 28.810 29.700 0.045 0.000 0.775 572 E HN 0.671 nan 8.360 nan 0.000 0.454 573 A N 1.120 123.991 122.820 0.085 0.000 1.958 573 A HA -0.228 4.093 4.320 0.001 0.000 0.221 573 A C 2.407 180.124 177.584 0.222 0.000 1.178 573 A CA 2.711 54.815 52.037 0.113 0.000 0.642 573 A CB -1.222 17.896 19.000 0.197 0.000 0.816 573 A HN 0.409 nan 8.150 nan 0.000 0.453 574 A N -0.644 122.296 122.820 0.199 0.000 1.841 574 A HA -0.143 4.178 4.320 0.001 0.000 0.214 574 A C 2.276 179.888 177.584 0.047 0.000 1.195 574 A CA 1.734 53.866 52.037 0.159 0.000 0.611 574 A CB -0.510 18.584 19.000 0.157 0.000 0.835 574 A HN 0.539 nan 8.150 nan 0.000 0.443 575 R N -1.025 119.522 120.500 0.078 0.000 2.148 575 R HA -0.050 4.290 4.340 0.001 0.000 0.227 575 R C 2.304 178.628 176.300 0.040 0.000 1.103 575 R CA 0.748 56.880 56.100 0.055 0.000 0.983 575 R CB -0.160 30.236 30.300 0.159 0.000 0.874 575 R HN 0.344 nan 8.270 nan 0.000 0.451 576 R N -0.425 120.104 120.500 0.048 0.000 2.075 576 R HA -0.057 4.283 4.340 0.001 0.000 0.232 576 R C 2.153 178.475 176.300 0.036 0.000 1.126 576 R CA 1.514 57.628 56.100 0.024 0.000 0.963 576 R CB -0.611 29.673 30.300 -0.026 0.000 0.858 576 R HN 0.383 nan 8.270 nan 0.000 0.435 577 G N 0.177 109.018 108.800 0.069 0.000 2.402 577 G HA2 -0.166 3.794 3.960 0.001 0.000 0.216 577 G HA3 -0.166 3.794 3.960 0.001 0.000 0.216 577 G C 1.503 176.485 174.900 0.137 0.000 1.162 577 G CA 0.595 45.797 45.100 0.169 0.000 0.777 577 G HN 0.157 nan 8.290 nan 0.000 0.539 578 V N 0.528 120.440 119.914 -0.004 0.000 2.490 578 V HA -0.209 3.911 4.120 0.001 0.000 0.250 578 V C 2.755 178.904 176.094 0.092 0.000 1.061 578 V CA 2.072 64.330 62.300 -0.070 0.000 1.064 578 V CB -0.409 31.201 31.823 -0.355 0.000 0.670 578 V HN 0.346 nan 8.190 nan 0.000 0.461 579 Q N -0.166 119.696 119.800 0.103 0.000 2.050 579 Q HA -0.243 4.098 4.340 0.001 0.000 0.202 579 Q C 2.082 178.175 176.000 0.154 0.000 0.980 579 Q CA 2.159 58.035 55.803 0.121 0.000 0.840 579 Q CB -0.757 28.033 28.738 0.088 0.000 0.898 579 Q HN 0.706 nan 8.270 nan 0.000 0.424 580 Y N 0.334 120.668 120.300 0.056 0.000 2.069 580 Y HA -0.285 4.266 4.550 0.001 0.000 0.278 580 Y C 1.755 177.749 175.900 0.157 0.000 1.175 580 Y CA 2.185 60.330 58.100 0.075 0.000 1.134 580 Y CB -0.468 38.019 38.460 0.045 0.000 0.965 580 Y HN 0.176 nan 8.280 nan 0.000 0.498 581 L N -1.321 120.204 121.223 0.503 0.000 2.046 581 L HA -0.230 4.111 4.340 0.001 0.000 0.208 581 L C 2.423 179.615 176.870 0.538 0.000 1.077 581 L CA 1.237 56.404 54.840 0.544 0.000 0.747 581 L CB -0.964 41.265 42.059 0.284 0.000 0.896 581 L HN 0.130 nan 8.230 nan 0.000 0.432 582 V N 0.007 120.117 119.914 0.327 0.000 2.287 582 V HA -0.271 3.850 4.120 0.001 0.000 0.248 582 V C 2.503 178.655 176.094 0.097 0.000 1.053 582 V CA 1.879 64.316 62.300 0.228 0.000 1.027 582 V CB -0.499 31.437 31.823 0.189 0.000 0.646 582 V HN 0.473 nan 8.190 nan 0.000 0.447 583 E N 0.343 120.570 120.200 0.045 0.000 2.017 583 E HA -0.238 4.112 4.350 0.001 0.000 0.193 583 E C 2.290 178.831 176.600 -0.098 0.000 0.997 583 E CA 1.990 58.363 56.400 -0.045 0.000 0.804 583 E CB -0.552 29.098 29.700 -0.083 0.000 0.757 583 E HN 0.724 nan 8.360 nan 0.000 0.448 584 T N -0.452 114.021 114.554 -0.134 0.000 3.051 584 T HA -0.152 4.198 4.350 0.001 0.000 0.269 584 T C 1.040 175.646 174.700 -0.157 0.000 1.127 584 T CA 0.225 62.243 62.100 -0.137 0.000 1.107 584 T CB -0.013 68.701 68.868 -0.256 0.000 0.898 584 T HN 0.052 nan 8.240 nan 0.000 0.517 585 Q N 1.038 120.664 119.800 -0.290 0.000 2.428 585 Q HA 0.092 4.432 4.340 0.001 0.000 0.276 585 Q C -0.114 175.556 176.000 -0.549 0.000 1.059 585 Q CA -0.116 55.138 55.803 -0.916 0.000 0.923 585 Q CB 0.531 28.658 28.738 -1.018 0.000 1.283 585 Q HN 0.497 nan 8.270 nan 0.000 0.447 586 R N 2.566 122.717 120.500 -0.582 0.000 2.546 586 R HA 0.179 4.519 4.340 0.001 0.000 0.266 586 R C -1.699 174.417 176.300 -0.306 0.000 1.086 586 R CA -1.743 54.147 56.100 -0.351 0.000 1.160 586 R CB 0.115 30.230 30.300 -0.308 0.000 1.138 586 R HN 0.543 nan 8.270 nan 0.000 0.567 587 P HA -0.126 nan 4.420 nan 0.000 0.225 587 P C -0.065 177.141 177.300 -0.156 0.000 1.148 587 P CA 1.156 64.162 63.100 -0.157 0.000 0.779 587 P CB 0.142 31.776 31.700 -0.109 0.000 0.780 588 D N -2.813 117.465 120.400 -0.202 0.000 2.350 588 D HA 0.151 4.792 4.640 0.001 0.000 0.213 588 D C 1.467 177.626 176.300 -0.236 0.000 1.031 588 D CA 0.617 54.516 54.000 -0.168 0.000 0.861 588 D CB -0.608 40.107 40.800 -0.142 0.000 0.926 588 D HN 0.166 nan 8.370 nan 0.000 0.520 589 G N -0.841 107.740 108.800 -0.364 0.000 2.218 589 G HA2 -0.149 3.811 3.960 0.001 0.000 0.216 589 G HA3 -0.149 3.811 3.960 0.001 0.000 0.216 589 G C 0.761 175.303 174.900 -0.595 0.000 0.994 589 G CA -0.024 44.850 45.100 -0.378 0.000 0.637 589 G HN 0.752 nan 8.290 nan 0.000 0.505 590 G N -1.494 106.777 108.800 -0.882 0.000 2.486 590 G HA2 0.452 4.412 3.960 0.001 0.000 0.272 590 G HA3 0.452 4.412 3.960 0.001 0.000 0.272 590 G C -0.284 174.444 174.900 -0.287 0.000 1.426 590 G CA 0.050 44.755 45.100 -0.659 0.000 1.058 590 G HN 0.423 nan 8.290 nan 0.000 0.531 591 W N -1.362 120.009 121.300 0.119 0.000 3.296 591 W HA 0.309 4.970 4.660 0.001 0.000 0.314 591 W C -1.338 175.189 176.519 0.014 0.000 1.238 591 W CA -0.530 56.841 57.345 0.044 0.000 1.193 591 W CB 2.160 31.651 29.460 0.051 0.000 1.383 591 W HN 0.399 nan 8.180 nan 0.000 0.545 592 D N 1.238 121.785 120.400 0.245 0.000 2.268 592 D HA 0.349 4.990 4.640 0.001 0.000 0.249 592 D C -0.785 175.611 176.300 0.161 0.000 1.008 592 D CA -0.122 53.967 54.000 0.148 0.000 0.939 592 D CB 2.144 42.998 40.800 0.090 0.000 1.170 592 D HN 0.322 nan 8.370 nan 0.000 0.468 593 E N 1.208 121.471 120.200 0.106 0.000 2.712 593 E HA 0.111 4.461 4.350 0.001 0.000 0.372 593 E C -2.288 174.348 176.600 0.059 0.000 1.058 593 E CA -0.983 55.488 56.400 0.119 0.000 0.747 593 E CB 1.308 31.080 29.700 0.121 0.000 1.596 593 E HN 0.102 nan 8.360 nan 0.000 0.380 594 P HA 0.010 nan 4.420 nan 0.000 0.252 594 P C -0.629 176.381 177.300 -0.484 0.000 1.265 594 P CA 0.340 63.272 63.100 -0.280 0.000 0.775 594 P CB -0.193 31.268 31.700 -0.399 0.000 1.128 595 Y N -1.183 119.178 120.300 0.102 0.000 2.630 595 Y HA 0.437 4.987 4.550 0.001 0.000 0.337 595 Y C 0.583 176.651 175.900 0.279 0.000 1.051 595 Y CA -1.204 56.959 58.100 0.106 0.000 1.121 595 Y CB 0.620 39.128 38.460 0.080 0.000 1.299 595 Y HN -0.224 nan 8.280 nan 0.000 0.498 596 Y N 0.314 120.773 120.300 0.266 0.000 2.334 596 Y HA 0.296 4.847 4.550 0.001 0.000 0.328 596 Y C 0.992 176.999 175.900 0.179 0.000 1.130 596 Y CA -1.251 56.961 58.100 0.187 0.000 1.163 596 Y CB 1.512 40.072 38.460 0.166 0.000 1.207 596 Y HN 0.678 nan 8.280 nan 0.000 0.471 597 T N -1.983 112.786 114.554 0.358 0.000 3.058 597 T HA 0.347 4.698 4.350 0.001 0.000 0.278 597 T C 0.601 175.527 174.700 0.377 0.000 0.974 597 T CA 0.031 62.332 62.100 0.334 0.000 0.893 597 T CB 0.145 69.172 68.868 0.266 0.000 1.138 597 T HN 0.661 nan 8.240 nan 0.000 0.529 598 G N 0.739 109.738 108.800 0.331 0.000 2.389 598 G HA2 0.549 4.510 3.960 0.001 0.000 0.317 598 G HA3 0.549 4.510 3.960 0.001 0.000 0.317 598 G C -0.995 174.032 174.900 0.212 0.000 1.137 598 G CA -0.471 44.813 45.100 0.307 0.000 0.870 598 G HN 0.198 nan 8.290 nan 0.000 0.496 599 T N 0.805 115.421 114.554 0.103 0.000 2.812 599 T HA 0.516 4.867 4.350 0.001 0.000 0.282 599 T C 1.169 175.730 174.700 -0.232 0.000 0.990 599 T CA 0.188 62.231 62.100 -0.095 0.000 0.960 599 T CB 1.830 70.562 68.868 -0.226 0.000 0.948 599 T HN 0.608 nan 8.240 nan 0.000 0.438 600 G N 1.837 110.388 108.800 -0.414 0.000 2.508 600 G HA2 0.299 4.259 3.960 0.001 0.000 0.212 600 G HA3 0.299 4.259 3.960 0.001 0.000 0.212 600 G C -0.361 173.894 174.900 -1.076 0.000 1.206 600 G CA 0.349 45.128 45.100 -0.536 0.000 0.822 600 G HN 0.543 nan 8.290 nan 0.000 0.550 601 F N 0.483 120.134 119.950 -0.498 0.000 2.573 601 F HA 0.478 5.005 4.527 0.001 0.000 0.316 601 F C -2.524 172.858 175.800 -0.698 0.000 1.148 601 F CA -2.903 54.748 58.000 -0.583 0.000 0.940 601 F CB 2.089 40.791 39.000 -0.498 0.000 1.214 601 F HN -0.153 nan 8.300 nan 0.000 0.448 602 P HA 0.156 nan 4.420 nan 0.000 0.264 602 P C 0.845 177.978 177.300 -0.279 0.000 1.183 602 P CA 1.595 64.330 63.100 -0.608 0.000 0.763 602 P CB 0.650 32.258 31.700 -0.153 0.000 0.807 603 G N 2.885 111.623 108.800 -0.103 0.000 2.353 603 G HA2 -0.301 3.659 3.960 0.001 0.000 0.258 603 G HA3 -0.301 3.659 3.960 0.001 0.000 0.258 603 G C 0.820 175.780 174.900 0.101 0.000 1.013 603 G CA 0.671 45.867 45.100 0.159 0.000 0.622 603 G HN 0.546 nan 8.290 nan 0.000 0.535 604 D N -1.598 118.711 120.400 -0.152 0.000 2.469 604 D HA 0.303 4.944 4.640 0.001 0.000 0.240 604 D C -0.141 176.190 176.300 0.053 0.000 1.087 604 D CA 0.230 54.183 54.000 -0.079 0.000 0.876 604 D CB 0.729 41.260 40.800 -0.448 0.000 1.160 604 D HN 0.281 nan 8.370 nan 0.000 0.497 605 F N 1.229 120.903 119.950 -0.459 0.000 2.585 605 F HA 0.344 4.871 4.527 0.001 0.000 0.319 605 F C -1.706 173.734 175.800 -0.600 0.000 1.165 605 F CA -0.936 56.907 58.000 -0.262 0.000 0.949 605 F CB 1.036 39.959 39.000 -0.128 0.000 1.218 605 F HN -0.311 nan 8.300 nan 0.000 0.453 606 Y N 5.284 125.391 120.300 -0.320 0.000 2.509 606 Y HA 0.772 5.323 4.550 0.001 0.000 0.341 606 Y C -0.707 174.936 175.900 -0.428 0.000 1.038 606 Y CA -1.021 56.953 58.100 -0.209 0.000 1.089 606 Y CB 1.901 40.429 38.460 0.114 0.000 1.241 606 Y HN 0.391 nan 8.280 nan 0.000 0.468 607 L N 1.068 122.135 121.223 -0.259 0.000 2.354 607 L HA 0.829 5.170 4.340 0.001 0.000 0.264 607 L C 0.039 176.426 176.870 -0.806 0.000 1.008 607 L CA -1.161 53.325 54.840 -0.590 0.000 0.819 607 L CB 2.342 44.162 42.059 -0.399 0.000 1.339 607 L HN 0.838 nan 8.230 nan 0.000 0.420 608 G N 0.451 108.616 108.800 -1.057 0.000 2.588 608 G HA2 0.495 4.455 3.960 0.001 0.000 0.312 608 G HA3 0.495 4.455 3.960 0.001 0.000 0.312 608 G C -1.465 173.193 174.900 -0.402 0.000 1.257 608 G CA -0.170 44.504 45.100 -0.710 0.000 0.994 608 G HN 0.330 nan 8.290 nan 0.000 0.498 609 Y N 2.703 122.791 120.300 -0.354 0.000 2.535 609 Y HA 0.184 4.734 4.550 0.001 0.000 0.349 609 Y C 2.074 177.843 175.900 -0.220 0.000 0.992 609 Y CA -0.229 57.611 58.100 -0.433 0.000 1.248 609 Y CB 1.254 38.972 38.460 -1.238 0.000 1.124 609 Y HN 0.565 nan 8.280 nan 0.000 0.520 610 T N 2.433 116.982 114.554 -0.010 0.000 2.721 610 T HA -0.217 4.133 4.350 0.001 0.000 0.268 610 T C 1.940 176.711 174.700 0.118 0.000 1.038 610 T CA 1.515 63.645 62.100 0.050 0.000 1.145 610 T CB -0.062 68.824 68.868 0.031 0.000 0.858 610 T HN 0.538 nan 8.240 nan 0.000 0.459 611 M N -0.398 119.317 119.600 0.191 0.000 2.447 611 M HA 0.086 4.567 4.480 0.001 0.000 0.264 611 M C 1.742 178.209 176.300 0.278 0.000 1.095 611 M CA 0.770 56.221 55.300 0.252 0.000 1.125 611 M CB -0.918 31.809 32.600 0.211 0.000 1.389 611 M HN 0.252 nan 8.290 nan 0.000 0.459 612 Y N 1.706 122.101 120.300 0.158 0.000 2.151 612 Y HA -0.240 4.310 4.550 0.001 0.000 0.284 612 Y C 2.565 178.512 175.900 0.080 0.000 1.166 612 Y CA 1.643 59.886 58.100 0.240 0.000 1.163 612 Y CB -1.171 37.520 38.460 0.384 0.000 0.974 612 Y HN 0.401 nan 8.280 nan 0.000 0.511 613 R N -0.500 120.068 120.500 0.113 0.000 2.193 613 R HA -0.166 4.175 4.340 0.001 0.000 0.229 613 R C 1.351 177.602 176.300 -0.081 0.000 1.110 613 R CA 1.877 57.934 56.100 -0.071 0.000 0.988 613 R CB -0.644 29.573 30.300 -0.139 0.000 0.871 613 R HN 0.389 nan 8.270 nan 0.000 0.458 614 H N 0.095 119.292 119.070 0.211 0.000 2.406 614 H HA 0.134 4.690 4.556 0.001 0.000 0.304 614 H C 2.389 177.757 175.328 0.066 0.000 1.042 614 H CA 1.078 57.284 56.048 0.264 0.000 1.360 614 H CB -0.058 29.908 29.762 0.339 0.000 1.448 614 H HN 0.023 nan 8.280 nan 0.000 0.553 615 V N 1.115 121.041 119.914 0.020 0.000 2.307 615 V HA -0.201 3.920 4.120 0.001 0.000 0.245 615 V C 2.274 178.152 176.094 -0.360 0.000 1.045 615 V CA 1.591 63.728 62.300 -0.271 0.000 1.024 615 V CB -0.793 30.717 31.823 -0.522 0.000 0.651 615 V HN 0.101 nan 8.190 nan 0.000 0.449 616 F N 0.091 119.947 119.950 -0.157 0.000 2.186 616 F HA 0.003 4.530 4.527 0.001 0.000 0.299 616 F C 0.050 175.692 175.800 -0.265 0.000 1.090 616 F CA 1.166 59.047 58.000 -0.198 0.000 1.307 616 F CB -2.131 36.726 39.000 -0.237 0.000 1.019 616 F HN 0.272 nan 8.300 nan 0.000 0.489 617 P HA -0.103 nan 4.420 nan 0.000 0.217 617 P C 1.624 178.766 177.300 -0.265 0.000 1.150 617 P CA 1.927 64.728 63.100 -0.498 0.000 0.832 617 P CB -0.141 30.754 31.700 -1.343 0.000 0.787 618 T N -0.207 114.264 114.554 -0.138 0.000 2.737 618 T HA -0.119 4.232 4.350 0.001 0.000 0.265 618 T C 1.670 176.347 174.700 -0.038 0.000 1.038 618 T CA 0.950 63.045 62.100 -0.008 0.000 1.144 618 T CB -0.932 67.942 68.868 0.009 0.000 0.866 618 T HN 0.023 nan 8.240 nan 0.000 0.434 619 L N 1.023 122.197 121.223 -0.082 0.000 2.131 619 L HA 0.097 4.437 4.340 0.001 0.000 0.210 619 L C 2.446 179.317 176.870 0.001 0.000 1.092 619 L CA 1.565 56.368 54.840 -0.061 0.000 0.759 619 L CB -0.623 41.379 42.059 -0.095 0.000 0.903 619 L HN 0.208 nan 8.230 nan 0.000 0.435 620 A N -0.597 122.226 122.820 0.006 0.000 1.874 620 A HA -0.057 4.263 4.320 0.001 0.000 0.214 620 A C 2.186 179.771 177.584 0.002 0.000 1.189 620 A CA 1.499 53.538 52.037 0.004 0.000 0.615 620 A CB -0.760 18.218 19.000 -0.038 0.000 0.830 620 A HN 0.438 nan 8.150 nan 0.000 0.443 621 L N -0.506 120.710 121.223 -0.011 0.000 2.131 621 L HA -0.123 4.217 4.340 0.001 0.000 0.210 621 L C 2.745 179.632 176.870 0.027 0.000 1.092 621 L CA 1.006 55.852 54.840 0.011 0.000 0.759 621 L CB -0.755 41.344 42.059 0.067 0.000 0.903 621 L HN 0.516 nan 8.230 nan 0.000 0.435 622 G N -0.156 108.661 108.800 0.028 0.000 2.408 622 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 622 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 622 G C 1.749 176.663 174.900 0.023 0.000 1.150 622 G CA 0.259 45.374 45.100 0.025 0.000 0.776 622 G HN 0.301 nan 8.290 nan 0.000 0.542 623 R N -1.393 119.128 120.500 0.035 0.000 2.236 623 R HA 0.079 4.420 4.340 0.001 0.000 0.208 623 R C 2.085 178.424 176.300 0.064 0.000 1.036 623 R CA 0.452 56.578 56.100 0.043 0.000 1.001 623 R CB -0.228 30.102 30.300 0.051 0.000 0.896 623 R HN 0.485 nan 8.270 nan 0.000 0.464 624 Y N 1.669 121.910 120.300 -0.098 0.000 2.243 624 Y HA -0.070 4.481 4.550 0.001 0.000 0.293 624 Y C 2.039 177.837 175.900 -0.170 0.000 1.124 624 Y CA 1.191 59.206 58.100 -0.142 0.000 1.159 624 Y CB 0.066 38.394 38.460 -0.221 0.000 1.008 624 Y HN -0.232 nan 8.280 nan 0.000 0.527 625 K N -0.210 120.084 120.400 -0.176 0.000 2.515 625 K HA -0.142 4.178 4.320 0.001 0.000 0.196 625 K C 1.617 178.169 176.600 -0.080 0.000 1.038 625 K CA 0.907 57.095 56.287 -0.165 0.000 0.967 625 K CB 0.131 32.631 32.500 -0.001 0.000 0.780 625 K HN 0.362 nan 8.250 nan 0.000 0.483 626 Q N -0.510 119.248 119.800 -0.071 0.000 2.200 626 Q HA 0.074 4.415 4.340 0.001 0.000 0.197 626 Q C 1.771 177.735 176.000 -0.059 0.000 0.953 626 Q CA 1.057 56.838 55.803 -0.036 0.000 0.851 626 Q CB -0.023 28.711 28.738 -0.006 0.000 0.938 626 Q HN 0.339 nan 8.270 nan 0.000 0.488 627 A N 0.267 123.031 122.820 -0.094 0.000 2.276 627 A HA 0.076 4.397 4.320 0.001 0.000 0.205 627 A C 0.601 178.107 177.584 -0.130 0.000 1.234 627 A CA 0.541 52.521 52.037 -0.094 0.000 0.797 627 A CB -0.343 18.609 19.000 -0.080 0.000 0.769 627 A HN 0.170 nan 8.150 nan 0.000 0.491 628 I N 0.000 120.489 120.570 -0.134 0.000 2.984 628 I HA 0.000 4.171 4.170 0.001 0.000 0.288 628 I CA 0.000 61.238 61.300 -0.104 0.000 1.566 628 I CB 0.000 37.900 38.000 -0.167 0.000 1.214 628 I HN 0.000 nan 8.210 nan 0.000 0.494