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 3gqb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MIQGVIQKIA GPAVIAKGML GARMYDISKV GEEGLVGEII RLDGDTAFVQ DATA SEQUENCE VYEDTSGLKV GEPVVSTGLP LAVELGPGML NGIYDGIQRP LERIREKTGI DATA SEQUENCE YITRGVVVHA LDREKKWAWT PMVKPGDEVR GGMVLGTVPE FGFTHKILVP DATA SEQUENCE PDVRGRVKEV KPAGEYTVEE PVVVLEDGTE LKMYHTWPVR RARPVQRKLD DATA SEQUENCE PNTPFLTGMR ILDVLFPVAM GGTAAIPGPF GSGKSVTQQS LAKWSNADVV DATA SEQUENCE VYVGSGERGN EMTDVLVEFP ELTDPKTGGP LMHRTVLIAN TSNMPVAARE DATA SEQUENCE ASIYVGVTIA EYFRDQGFSV ALMADSTSRW AEALREISSR LEEMPAEEGY DATA SEQUENCE PPYLAARLAA FYERAGKVIT LGGEEGAVTI VGAVSPPGGD MSEPVTQSTL DATA SEQUENCE RIVGAFWRLD ASLAFRRHFP AINWNGSYSL FTSALDPWYR ENVAEDYPEL DATA SEQUENCE RDAISELLQR EAGLQEIVQL VGPDALQDAE RLVIEVGRII REDFLQQNAY DATA SEQUENCE HEVDAYSSMK KAYGIMKMIL AFYKEAEAAI KRGVSIDEIL QLPVLERIGR DATA SEQUENCE ARYVSEEEFP AYFEEAMKEI QGAFKALA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 2 I N 1.994 122.554 120.570 -0.017 0.000 2.647 2 I HA 0.479 4.649 4.170 -0.000 0.000 0.295 2 I C -0.339 175.767 176.117 -0.019 0.000 1.078 2 I CA -0.467 60.823 61.300 -0.017 0.000 1.048 2 I CB 2.415 40.404 38.000 -0.018 0.000 1.239 2 I HN 0.627 nan 8.210 nan 0.000 0.421 3 Q N 4.177 123.967 119.800 -0.017 0.000 2.571 3 Q HA 0.494 4.833 4.340 -0.000 0.000 0.243 3 Q C 0.103 176.091 176.000 -0.020 0.000 1.055 3 Q CA -0.182 55.610 55.803 -0.018 0.000 0.815 3 Q CB 2.447 31.177 28.738 -0.015 0.000 1.151 3 Q HN 0.955 nan 8.270 nan 0.000 0.519 4 G N 0.338 109.124 108.800 -0.024 0.000 2.938 4 G HA2 0.763 4.723 3.960 -0.000 0.000 0.258 4 G HA3 0.763 4.723 3.960 -0.000 0.000 0.258 4 G C -0.381 174.501 174.900 -0.030 0.000 1.356 4 G CA -0.447 44.637 45.100 -0.026 0.000 1.052 4 G HN 0.315 nan 8.290 nan 0.000 0.550 5 V N -2.740 117.154 119.914 -0.034 0.000 3.160 5 V HA 0.620 4.740 4.120 -0.000 0.000 0.310 5 V C -0.305 175.760 176.094 -0.047 0.000 1.181 5 V CA -1.274 61.004 62.300 -0.037 0.000 1.047 5 V CB 1.712 33.516 31.823 -0.031 0.000 1.068 5 V HN 0.666 nan 8.190 nan 0.000 0.441 6 I N 1.551 122.092 120.570 -0.050 0.000 2.379 6 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 6 I C 1.221 177.299 176.117 -0.066 0.000 1.063 6 I CA 0.176 61.438 61.300 -0.063 0.000 1.351 6 I CB 1.359 39.324 38.000 -0.059 0.000 1.410 6 I HN 0.918 nan 8.210 nan 0.000 0.505 7 Q N 6.596 126.346 119.800 -0.084 0.000 2.339 7 Q HA 0.095 4.435 4.340 -0.000 0.000 0.205 7 Q C 0.281 176.227 176.000 -0.090 0.000 0.925 7 Q CA 0.756 56.510 55.803 -0.080 0.000 0.898 7 Q CB 0.736 29.424 28.738 -0.084 0.000 1.013 7 Q HN 0.633 nan 8.270 nan 0.000 0.504 8 K N 0.062 120.393 120.400 -0.115 0.000 2.562 8 K HA 0.439 4.759 4.320 -0.000 0.000 0.267 8 K C -1.891 174.640 176.600 -0.114 0.000 0.938 8 K CA -0.555 55.662 56.287 -0.115 0.000 0.840 8 K CB 1.599 34.011 32.500 -0.147 0.000 1.390 8 K HN 0.074 nan 8.250 nan 0.000 0.428 9 I N 2.261 122.780 120.570 -0.085 0.000 2.512 9 I HA 0.471 4.641 4.170 -0.000 0.000 0.287 9 I C -1.126 174.958 176.117 -0.055 0.000 1.069 9 I CA -0.788 60.470 61.300 -0.070 0.000 1.056 9 I CB 2.146 40.115 38.000 -0.051 0.000 1.229 9 I HN 0.718 nan 8.210 nan 0.000 0.429 10 A N 5.020 127.810 122.820 -0.051 0.000 2.569 10 A HA 0.778 5.098 4.320 -0.000 0.000 0.282 10 A C 0.315 177.889 177.584 -0.016 0.000 1.165 10 A CA 0.098 52.117 52.037 -0.030 0.000 0.747 10 A CB 0.686 19.669 19.000 -0.028 0.000 1.215 10 A HN 1.162 nan 8.150 nan 0.000 0.431 11 G N 3.470 112.263 108.800 -0.011 0.000 2.566 11 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 11 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 11 G C -1.054 173.846 174.900 0.001 0.000 1.225 11 G CA 0.278 45.377 45.100 -0.001 0.000 0.966 11 G HN 0.795 nan 8.290 nan 0.000 0.560 12 P HA 0.364 nan 4.420 nan 0.000 0.245 12 P C 0.454 177.765 177.300 0.018 0.000 1.212 12 P CA 1.505 64.620 63.100 0.025 0.000 0.774 12 P CB -0.086 31.643 31.700 0.047 0.000 0.999 13 A N 0.187 123.011 122.820 0.006 0.000 2.290 13 A HA 0.551 4.871 4.320 -0.000 0.000 0.310 13 A C -0.392 177.154 177.584 -0.064 0.000 1.202 13 A CA -0.434 51.599 52.037 -0.006 0.000 0.837 13 A CB 0.944 19.954 19.000 0.017 0.000 1.139 13 A HN -0.025 nan 8.150 nan 0.000 0.509 14 V N 3.621 123.478 119.914 -0.096 0.000 2.789 14 V HA 0.408 4.528 4.120 -0.000 0.000 0.311 14 V C -0.571 175.378 176.094 -0.242 0.000 1.073 14 V CA -0.315 61.899 62.300 -0.142 0.000 0.921 14 V CB 2.010 33.776 31.823 -0.096 0.000 1.009 14 V HN 0.780 nan 8.190 nan 0.000 0.426 15 I N 3.667 124.058 120.570 -0.299 0.000 2.330 15 I HA 0.672 4.842 4.170 -0.000 0.000 0.289 15 I C 0.384 176.383 176.117 -0.197 0.000 1.001 15 I CA -0.414 60.660 61.300 -0.376 0.000 1.193 15 I CB 1.650 39.334 38.000 -0.527 0.000 1.345 15 I HN 0.690 nan 8.210 nan 0.000 0.461 16 A N 7.208 129.946 122.820 -0.137 0.000 2.301 16 A HA 0.636 4.956 4.320 -0.000 0.000 0.312 16 A C -0.254 177.292 177.584 -0.062 0.000 1.182 16 A CA -0.611 51.375 52.037 -0.084 0.000 0.826 16 A CB 0.740 19.701 19.000 -0.063 0.000 1.134 16 A HN 0.797 nan 8.150 nan 0.000 0.501 17 K N 0.938 121.307 120.400 -0.051 0.000 2.166 17 K HA 0.716 5.036 4.320 -0.000 0.000 0.245 17 K C 0.712 177.297 176.600 -0.025 0.000 0.967 17 K CA -0.166 56.101 56.287 -0.033 0.000 0.863 17 K CB 1.332 33.812 32.500 -0.033 0.000 1.107 17 K HN 1.692 nan 8.250 nan 0.000 0.436 18 G N 1.113 109.903 108.800 -0.017 0.000 2.220 18 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.269 18 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.269 18 G C 0.251 175.142 174.900 -0.015 0.000 0.977 18 G CA 0.467 45.558 45.100 -0.015 0.000 0.634 18 G HN 0.584 nan 8.290 nan 0.000 0.539 19 M N 1.906 121.496 119.600 -0.017 0.000 3.282 19 M HA 0.232 4.712 4.480 -0.000 0.000 0.242 19 M C 0.531 176.824 176.300 -0.012 0.000 1.568 19 M CA 0.632 55.922 55.300 -0.017 0.000 1.668 19 M CB -0.535 32.052 32.600 -0.021 0.000 1.236 19 M HN 0.206 nan 8.290 nan 0.000 0.527 20 L N 0.548 121.765 121.223 -0.011 0.000 2.319 20 L HA 0.462 4.801 4.340 -0.000 0.000 0.280 20 L C 1.312 178.176 176.870 -0.010 0.000 1.099 20 L CA -0.344 54.490 54.840 -0.009 0.000 0.828 20 L CB 0.242 42.296 42.059 -0.008 0.000 1.150 20 L HN 0.878 nan 8.230 nan 0.000 0.442 21 G N 1.674 110.468 108.800 -0.010 0.000 2.159 21 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.256 21 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.256 21 G C 0.474 175.365 174.900 -0.014 0.000 0.977 21 G CA 0.028 45.121 45.100 -0.011 0.000 0.652 21 G HN 1.072 nan 8.290 nan 0.000 0.531 22 A N -0.197 122.614 122.820 -0.016 0.000 2.547 22 A HA 0.605 4.925 4.320 -0.000 0.000 0.233 22 A C 0.850 178.420 177.584 -0.023 0.000 1.067 22 A CA 0.990 53.014 52.037 -0.022 0.000 0.763 22 A CB 0.191 19.176 19.000 -0.025 0.000 1.007 22 A HN 0.799 nan 8.150 nan 0.000 0.506 23 R N 1.260 121.743 120.500 -0.027 0.000 2.807 23 R HA 0.464 4.804 4.340 -0.000 0.000 0.276 23 R C -0.832 175.445 176.300 -0.039 0.000 0.979 23 R CA -1.175 54.911 56.100 -0.024 0.000 0.928 23 R CB 0.991 31.285 30.300 -0.010 0.000 1.191 23 R HN 0.649 nan 8.270 nan 0.000 0.471 24 M N 2.790 122.367 119.600 -0.037 0.000 2.338 24 M HA -0.058 4.422 4.480 -0.000 0.000 0.360 24 M C -0.164 176.142 176.300 0.011 0.000 1.547 24 M CA 1.169 56.412 55.300 -0.095 0.000 1.001 24 M CB -1.089 31.527 32.600 0.027 0.000 2.008 24 M HN 0.782 nan 8.290 nan 0.000 0.464 25 Y N -1.388 118.896 120.300 -0.027 0.000 4.936 25 Y HA -0.257 4.293 4.550 -0.000 0.000 0.266 25 Y C 0.340 176.216 175.900 -0.041 0.000 0.909 25 Y CA 0.354 58.435 58.100 -0.031 0.000 1.828 25 Y CB -1.457 36.981 38.460 -0.038 0.000 1.283 25 Y HN 0.546 nan 8.280 nan 0.000 0.511 26 D N 1.092 121.509 120.400 0.028 0.000 2.423 26 D HA 0.260 4.900 4.640 -0.000 0.000 0.238 26 D C 0.341 176.622 176.300 -0.032 0.000 1.142 26 D CA 0.175 54.174 54.000 -0.002 0.000 0.884 26 D CB 0.648 41.435 40.800 -0.021 0.000 1.199 26 D HN 0.053 nan 8.370 nan 0.000 0.438 27 I N 1.312 121.861 120.570 -0.036 0.000 2.474 27 I HA 0.034 4.204 4.170 -0.000 0.000 0.287 27 I C 0.677 176.743 176.117 -0.085 0.000 1.048 27 I CA 0.602 61.855 61.300 -0.078 0.000 1.383 27 I CB 0.925 38.889 38.000 -0.059 0.000 1.412 27 I HN 0.082 nan 8.210 nan 0.000 0.531 28 S N 5.258 120.887 115.700 -0.120 0.000 2.607 28 S HA 0.565 5.035 4.470 -0.000 0.000 0.303 28 S C -0.592 173.951 174.600 -0.095 0.000 1.086 28 S CA -0.875 57.268 58.200 -0.096 0.000 0.995 28 S CB 1.418 64.559 63.200 -0.098 0.000 1.084 28 S HN 0.374 nan 8.310 nan 0.000 0.507 29 K N 1.935 122.294 120.400 -0.068 0.000 2.483 29 K HA 0.569 4.889 4.320 -0.000 0.000 0.256 29 K C -1.627 174.943 176.600 -0.051 0.000 0.961 29 K CA -0.409 55.844 56.287 -0.057 0.000 0.873 29 K CB 1.561 34.036 32.500 -0.041 0.000 1.107 29 K HN 0.306 nan 8.250 nan 0.000 0.432 30 V N 2.674 122.556 119.914 -0.052 0.000 2.417 30 V HA 0.654 4.774 4.120 -0.000 0.000 0.291 30 V C 0.440 176.512 176.094 -0.036 0.000 1.024 30 V CA -0.228 62.043 62.300 -0.049 0.000 0.861 30 V CB 1.038 32.826 31.823 -0.058 0.000 0.985 30 V HN 1.060 nan 8.190 nan 0.000 0.436 31 G N 4.204 112.983 108.800 -0.034 0.000 2.796 31 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.571 31 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.571 31 G C 0.309 175.195 174.900 -0.023 0.000 1.370 31 G CA 0.351 45.435 45.100 -0.027 0.000 0.856 31 G HN 0.725 nan 8.290 nan 0.000 0.538 32 E N -0.187 120.002 120.200 -0.018 0.000 2.204 32 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 32 E C 2.254 178.846 176.600 -0.012 0.000 0.989 32 E CA 1.359 57.750 56.400 -0.015 0.000 0.824 32 E CB 0.013 29.705 29.700 -0.012 0.000 0.756 32 E HN 0.624 nan 8.360 nan 0.000 0.477 33 E N -0.904 119.289 120.200 -0.012 0.000 2.427 33 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 33 E C 0.812 177.405 176.600 -0.011 0.000 1.028 33 E CA 0.363 56.758 56.400 -0.009 0.000 0.864 33 E CB 0.311 30.007 29.700 -0.006 0.000 0.813 33 E HN 0.340 nan 8.360 nan 0.000 0.514 34 G N 1.672 110.462 108.800 -0.017 0.000 2.198 34 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.257 34 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.257 34 G C 0.155 175.041 174.900 -0.024 0.000 1.042 34 G CA -0.089 44.998 45.100 -0.022 0.000 0.791 34 G HN 0.162 nan 8.290 nan 0.000 0.502 35 L N -0.429 120.781 121.223 -0.021 0.000 2.593 35 L HA 0.110 4.450 4.340 -0.000 0.000 0.287 35 L C 1.318 178.161 176.870 -0.046 0.000 1.243 35 L CA -0.042 54.787 54.840 -0.018 0.000 0.890 35 L CB 0.295 42.346 42.059 -0.012 0.000 1.134 35 L HN 0.006 nan 8.230 nan 0.000 0.502 36 V N 2.885 122.772 119.914 -0.045 0.000 2.583 36 V HA 0.647 4.767 4.120 -0.000 0.000 0.287 36 V C 0.760 176.682 176.094 -0.287 0.000 1.051 36 V CA 0.297 62.526 62.300 -0.120 0.000 1.010 36 V CB 1.177 32.969 31.823 -0.052 0.000 0.988 36 V HN 0.979 nan 8.190 nan 0.000 0.478 37 G N 3.844 112.417 108.800 -0.379 0.000 2.645 37 G HA2 0.653 4.613 3.960 -0.000 0.000 0.292 37 G HA3 0.653 4.613 3.960 -0.000 0.000 0.292 37 G C -1.603 173.035 174.900 -0.436 0.000 1.415 37 G CA -0.535 44.249 45.100 -0.527 0.000 0.785 37 G HN 0.538 nan 8.290 nan 0.000 0.483 38 E N -0.266 119.733 120.200 -0.335 0.000 2.210 38 E HA 0.368 4.717 4.350 -0.000 0.000 0.266 38 E C -0.408 176.104 176.600 -0.147 0.000 0.883 38 E CA -0.678 55.615 56.400 -0.179 0.000 0.761 38 E CB 2.651 32.327 29.700 -0.041 0.000 1.156 38 E HN 0.339 nan 8.360 nan 0.000 0.412 39 I N 5.085 125.557 120.570 -0.163 0.000 2.581 39 I HA -0.052 4.118 4.170 -0.000 0.000 0.285 39 I C 1.320 177.217 176.117 -0.366 0.000 1.129 39 I CA 0.677 61.870 61.300 -0.179 0.000 1.397 39 I CB 0.135 38.045 38.000 -0.149 0.000 1.399 39 I HN 0.597 nan 8.210 nan 0.000 0.537 40 I N 3.180 123.600 120.570 -0.250 0.000 4.057 40 I HA 0.370 4.539 4.170 -0.000 0.000 0.334 40 I C 0.713 176.671 176.117 -0.264 0.000 1.308 40 I CA -0.005 61.078 61.300 -0.362 0.000 1.125 40 I CB 0.190 38.104 38.000 -0.143 0.000 1.034 40 I HN 0.511 nan 8.210 nan 0.000 0.401 41 R N 1.692 122.087 120.500 -0.175 0.000 2.604 41 R HA 0.620 4.960 4.340 -0.000 0.000 0.270 41 R C -2.147 174.104 176.300 -0.082 0.000 1.052 41 R CA -0.637 55.340 56.100 -0.206 0.000 0.902 41 R CB 2.609 32.605 30.300 -0.506 0.000 1.233 41 R HN 0.197 nan 8.270 nan 0.000 0.455 42 L N 3.106 124.276 121.223 -0.088 0.000 2.349 42 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 42 L C -0.963 175.893 176.870 -0.024 0.000 0.996 42 L CA -0.746 54.082 54.840 -0.020 0.000 0.825 42 L CB 1.903 43.946 42.059 -0.028 0.000 1.243 42 L HN 0.511 nan 8.230 nan 0.000 0.412 43 D N 2.550 122.976 120.400 0.042 0.000 2.542 43 D HA 0.485 5.125 4.640 -0.000 0.000 0.252 43 D C 0.745 177.079 176.300 0.056 0.000 1.222 43 D CA 0.650 54.673 54.000 0.039 0.000 0.895 43 D CB 1.796 42.641 40.800 0.074 0.000 1.207 43 D HN 0.660 nan 8.370 nan 0.000 0.558 44 G N 4.941 113.756 108.800 0.026 0.000 2.774 44 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.342 44 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.342 44 G C 0.534 175.445 174.900 0.020 0.000 1.185 44 G CA 0.979 46.091 45.100 0.021 0.000 0.956 44 G HN 0.678 nan 8.290 nan 0.000 0.561 45 D N 1.357 121.771 120.400 0.023 0.000 2.501 45 D HA 0.313 4.953 4.640 -0.000 0.000 0.226 45 D C 0.834 177.144 176.300 0.017 0.000 1.198 45 D CA 1.014 55.022 54.000 0.013 0.000 0.830 45 D CB 0.008 40.812 40.800 0.007 0.000 1.014 45 D HN 0.959 nan 8.370 nan 0.000 0.496 46 T N -2.747 111.831 114.554 0.040 0.000 2.903 46 T HA 0.734 5.084 4.350 -0.000 0.000 0.299 46 T C -1.019 173.741 174.700 0.100 0.000 1.093 46 T CA -0.954 61.175 62.100 0.050 0.000 1.002 46 T CB 2.399 71.302 68.868 0.058 0.000 1.127 46 T HN 0.149 nan 8.240 nan 0.000 0.488 47 A N 1.913 124.783 122.820 0.083 0.000 2.374 47 A HA 0.750 5.070 4.320 -0.000 0.000 0.305 47 A C -0.948 176.733 177.584 0.161 0.000 1.053 47 A CA -0.951 51.162 52.037 0.126 0.000 0.726 47 A CB 0.846 19.863 19.000 0.028 0.000 1.229 47 A HN 0.824 nan 8.150 nan 0.000 0.431 48 F N 2.083 121.988 119.950 -0.074 0.000 2.424 48 F HA 0.426 4.953 4.527 -0.000 0.000 0.356 48 F C 0.223 175.969 175.800 -0.090 0.000 1.110 48 F CA -0.354 57.604 58.000 -0.069 0.000 1.161 48 F CB 1.549 40.513 39.000 -0.061 0.000 1.115 48 F HN 0.259 nan 8.300 nan 0.000 0.507 49 V N 3.808 123.736 119.914 0.024 0.000 2.417 49 V HA 0.232 4.352 4.120 -0.000 0.000 0.291 49 V C -0.349 175.735 176.094 -0.016 0.000 1.024 49 V CA -0.807 61.476 62.300 -0.027 0.000 0.861 49 V CB 1.594 33.376 31.823 -0.069 0.000 0.985 49 V HN 0.580 nan 8.190 nan 0.000 0.436 50 Q N 3.716 123.510 119.800 -0.010 0.000 2.322 50 Q HA 0.454 4.794 4.340 -0.000 0.000 0.256 50 Q C -0.892 175.110 176.000 0.004 0.000 0.960 50 Q CA -0.089 55.736 55.803 0.038 0.000 0.934 50 Q CB 1.550 30.352 28.738 0.106 0.000 1.200 50 Q HN 0.605 nan 8.270 nan 0.000 0.435 51 V N 6.674 126.604 119.914 0.025 0.000 2.461 51 V HA 0.041 4.161 4.120 -0.000 0.000 0.275 51 V C 0.633 176.820 176.094 0.156 0.000 1.047 51 V CA -0.022 62.282 62.300 0.007 0.000 0.955 51 V CB 0.576 32.397 31.823 -0.003 0.000 0.988 51 V HN 0.949 nan 8.190 nan 0.000 0.471 52 Y N 2.369 122.679 120.300 0.016 0.000 2.483 52 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 52 Y C 1.268 177.180 175.900 0.020 0.000 1.143 52 Y CA 0.113 58.227 58.100 0.023 0.000 1.289 52 Y CB 0.422 38.898 38.460 0.028 0.000 0.983 52 Y HN 0.684 nan 8.280 nan 0.000 0.556 53 E N -0.342 119.957 120.200 0.165 0.000 2.378 53 E HA 0.134 4.484 4.350 -0.000 0.000 0.265 53 E C -1.310 175.326 176.600 0.060 0.000 0.932 53 E CA -1.098 55.361 56.400 0.098 0.000 0.795 53 E CB 1.018 30.768 29.700 0.083 0.000 1.296 53 E HN -0.174 nan 8.360 nan 0.000 0.438 54 D N 1.262 121.688 120.400 0.042 0.000 2.531 54 D HA -0.052 4.588 4.640 -0.000 0.000 0.239 54 D C 0.740 177.049 176.300 0.016 0.000 1.144 54 D CA 0.481 54.496 54.000 0.025 0.000 0.869 54 D CB 1.097 41.907 40.800 0.017 0.000 1.160 54 D HN 0.557 nan 8.370 nan 0.000 0.484 55 T N -0.290 114.269 114.554 0.009 0.000 3.065 55 T HA 0.014 4.364 4.350 -0.000 0.000 0.252 55 T C 1.082 175.777 174.700 -0.007 0.000 1.099 55 T CA 0.039 62.138 62.100 -0.001 0.000 1.063 55 T CB -0.205 68.658 68.868 -0.007 0.000 0.948 55 T HN 0.368 nan 8.240 nan 0.000 0.506 56 S N 0.881 116.578 115.700 -0.005 0.000 2.563 56 S HA 0.418 4.888 4.470 -0.000 0.000 0.294 56 S C 1.530 176.124 174.600 -0.011 0.000 1.279 56 S CA 0.375 58.569 58.200 -0.009 0.000 1.069 56 S CB -0.117 63.078 63.200 -0.008 0.000 0.828 56 S HN 1.264 nan 8.310 nan 0.000 0.497 57 G N 3.152 111.944 108.800 -0.013 0.000 2.307 57 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.210 57 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.210 57 G C 0.076 174.967 174.900 -0.015 0.000 1.005 57 G CA -0.143 44.949 45.100 -0.013 0.000 0.634 57 G HN 0.768 nan 8.290 nan 0.000 0.496 58 L N 1.233 122.445 121.223 -0.017 0.000 2.461 58 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 58 L C 0.575 177.431 176.870 -0.023 0.000 1.197 58 L CA 0.394 55.221 54.840 -0.021 0.000 0.836 58 L CB 0.635 42.679 42.059 -0.024 0.000 1.105 58 L HN 0.174 nan 8.230 nan 0.000 0.477 59 K N 1.463 121.849 120.400 -0.024 0.000 2.259 59 K HA 0.421 4.741 4.320 -0.000 0.000 0.249 59 K C -0.926 175.656 176.600 -0.030 0.000 0.942 59 K CA -0.988 55.284 56.287 -0.025 0.000 0.816 59 K CB 2.424 34.911 32.500 -0.021 0.000 1.155 59 K HN 0.187 nan 8.250 nan 0.000 0.428 60 V N 1.660 121.554 119.914 -0.033 0.000 2.720 60 V HA 0.013 4.133 4.120 -0.000 0.000 0.307 60 V C 1.393 177.468 176.094 -0.032 0.000 1.071 60 V CA 2.007 64.285 62.300 -0.037 0.000 1.199 60 V CB 0.284 32.085 31.823 -0.036 0.000 0.900 60 V HN 1.198 nan 8.190 nan 0.000 0.494 61 G N 3.156 111.935 108.800 -0.034 0.000 2.218 61 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 61 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 61 G C 0.070 174.953 174.900 -0.028 0.000 0.994 61 G CA 0.047 45.129 45.100 -0.029 0.000 0.637 61 G HN 0.651 nan 8.290 nan 0.000 0.505 62 E N 1.570 121.752 120.200 -0.029 0.000 2.392 62 E HA 0.377 4.727 4.350 -0.000 0.000 0.256 62 E C -2.246 174.337 176.600 -0.029 0.000 1.145 62 E CA -1.515 54.869 56.400 -0.027 0.000 0.929 62 E CB 0.674 30.358 29.700 -0.027 0.000 0.998 62 E HN 0.186 nan 8.360 nan 0.000 0.442 63 P HA 0.038 nan 4.420 nan 0.000 0.272 63 P C -1.060 176.220 177.300 -0.032 0.000 1.223 63 P CA -0.003 63.081 63.100 -0.027 0.000 0.784 63 P CB 0.592 32.279 31.700 -0.022 0.000 0.923 64 V N 2.731 122.624 119.914 -0.035 0.000 2.623 64 V HA 0.468 4.588 4.120 -0.000 0.000 0.304 64 V C -0.360 175.712 176.094 -0.036 0.000 1.054 64 V CA -0.677 61.599 62.300 -0.041 0.000 0.882 64 V CB 2.166 33.960 31.823 -0.048 0.000 1.002 64 V HN 0.468 nan 8.190 nan 0.000 0.424 65 V N 2.881 122.772 119.914 -0.037 0.000 2.638 65 V HA 0.785 4.905 4.120 -0.000 0.000 0.306 65 V C -0.230 175.842 176.094 -0.035 0.000 1.052 65 V CA -0.175 62.105 62.300 -0.032 0.000 0.885 65 V CB 2.183 33.991 31.823 -0.024 0.000 0.999 65 V HN 0.882 nan 8.190 nan 0.000 0.424 66 S N 3.497 119.178 115.700 -0.033 0.000 2.545 66 S HA 0.302 4.772 4.470 -0.000 0.000 0.275 66 S C 1.020 175.603 174.600 -0.028 0.000 1.299 66 S CA 0.536 58.715 58.200 -0.035 0.000 1.048 66 S CB 1.369 64.549 63.200 -0.033 0.000 0.938 66 S HN 1.066 nan 8.310 nan 0.000 0.496 67 T N 3.546 118.082 114.554 -0.030 0.000 3.088 67 T HA 0.232 4.582 4.350 -0.000 0.000 0.259 67 T C 1.380 176.070 174.700 -0.017 0.000 1.122 67 T CA 1.134 63.222 62.100 -0.020 0.000 1.095 67 T CB -0.874 67.981 68.868 -0.021 0.000 0.930 67 T HN 1.350 nan 8.240 nan 0.000 0.508 68 G N 0.843 109.630 108.800 -0.021 0.000 2.162 68 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 68 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 68 G C -0.115 174.773 174.900 -0.021 0.000 0.976 68 G CA 0.395 45.483 45.100 -0.019 0.000 0.655 68 G HN 0.548 nan 8.290 nan 0.000 0.533 69 L N 0.675 121.885 121.223 -0.020 0.000 2.445 69 L HA 0.562 4.902 4.340 -0.000 0.000 0.262 69 L C -2.119 174.740 176.870 -0.018 0.000 0.974 69 L CA -2.371 52.454 54.840 -0.026 0.000 0.822 69 L CB 2.837 44.880 42.059 -0.026 0.000 1.339 69 L HN -0.132 nan 8.230 nan 0.000 0.409 70 P HA 0.040 nan 4.420 nan 0.000 0.274 70 P C -0.556 176.744 177.300 -0.000 0.000 1.260 70 P CA -0.516 62.586 63.100 0.004 0.000 0.793 70 P CB 0.675 32.360 31.700 -0.024 0.000 1.048 71 L N 0.054 121.300 121.223 0.038 0.000 2.584 71 L HA 0.324 4.664 4.340 -0.000 0.000 0.272 71 L C -0.116 176.762 176.870 0.013 0.000 1.195 71 L CA 0.640 55.515 54.840 0.059 0.000 0.920 71 L CB -0.899 41.238 42.059 0.130 0.000 1.173 71 L HN 0.507 nan 8.230 nan 0.000 0.489 72 A N 4.686 127.515 122.820 0.016 0.000 2.486 72 A HA 0.858 5.178 4.320 -0.000 0.000 0.289 72 A C -1.293 176.303 177.584 0.020 0.000 1.176 72 A CA -0.580 51.457 52.037 0.000 0.000 0.757 72 A CB 1.750 20.739 19.000 -0.019 0.000 1.337 72 A HN 0.566 nan 8.150 nan 0.000 0.423 73 V N 0.029 119.955 119.914 0.020 0.000 2.914 73 V HA 0.422 4.542 4.120 -0.000 0.000 0.314 73 V C -0.755 175.298 176.094 -0.068 0.000 1.084 73 V CA -0.570 61.714 62.300 -0.026 0.000 0.963 73 V CB 2.007 33.824 31.823 -0.010 0.000 1.025 73 V HN 0.950 nan 8.190 nan 0.000 0.432 74 E N 4.866 124.987 120.200 -0.131 0.000 2.146 74 E HA 0.443 4.793 4.350 -0.000 0.000 0.282 74 E C -1.251 175.162 176.600 -0.311 0.000 0.989 74 E CA -0.296 56.012 56.400 -0.153 0.000 0.799 74 E CB 1.425 31.015 29.700 -0.184 0.000 1.088 74 E HN 0.419 nan 8.360 nan 0.000 0.397 75 L N 3.274 124.222 121.223 -0.459 0.000 2.324 75 L HA 0.630 4.970 4.340 -0.000 0.000 0.274 75 L C 0.379 176.758 176.870 -0.817 0.000 1.012 75 L CA -0.422 53.821 54.840 -0.995 0.000 0.859 75 L CB 1.194 42.367 42.059 -1.477 0.000 1.224 75 L HN 0.697 nan 8.230 nan 0.000 0.429 76 G N 3.519 112.026 108.800 -0.487 0.000 2.348 76 G HA2 0.343 4.303 3.960 -0.000 0.000 0.296 76 G HA3 0.343 4.303 3.960 -0.000 0.000 0.296 76 G C -3.305 171.491 174.900 -0.172 0.000 1.258 76 G CA -0.659 44.376 45.100 -0.108 0.000 0.868 76 G HN 0.178 nan 8.290 nan 0.000 0.488 77 P HA 0.445 nan 4.420 nan 0.000 0.276 77 P C 0.606 177.630 177.300 -0.460 0.000 1.235 77 P CA 1.279 63.776 63.100 -1.004 0.000 0.772 77 P CB 1.199 31.686 31.700 -2.021 0.000 0.871 78 G N 2.133 110.940 108.800 0.012 0.000 2.870 78 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 78 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 78 G C 0.669 175.819 174.900 0.418 0.000 0.973 78 G CA -0.122 45.192 45.100 0.358 0.000 0.807 78 G HN 0.410 nan 8.290 nan 0.000 0.573 79 M N 0.331 120.211 119.600 0.467 0.000 2.552 79 M HA 0.400 4.880 4.480 -0.000 0.000 0.264 79 M C 1.093 177.715 176.300 0.537 0.000 1.159 79 M CA 0.486 56.144 55.300 0.596 0.000 1.176 79 M CB 0.114 33.059 32.600 0.575 0.000 1.327 79 M HN 0.051 nan 8.290 nan 0.000 0.481 80 L N 1.667 123.209 121.223 0.532 0.000 2.485 80 L HA -0.050 4.290 4.340 -0.000 0.000 0.275 80 L C 0.881 178.020 176.870 0.449 0.000 1.207 80 L CA 0.230 55.341 54.840 0.451 0.000 0.855 80 L CB -0.235 42.143 42.059 0.531 0.000 1.114 80 L HN 0.475 nan 8.230 nan 0.000 0.485 81 N N 0.111 118.979 118.700 0.280 0.000 2.765 81 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 81 N C 0.185 175.778 175.510 0.138 0.000 1.063 81 N CA 0.966 54.124 53.050 0.180 0.000 0.862 81 N CB -0.469 38.099 38.487 0.135 0.000 1.145 81 N HN 0.915 nan 8.380 nan 0.000 0.581 82 G N -0.254 108.629 108.800 0.138 0.000 2.451 82 G HA2 0.636 4.596 3.960 -0.000 0.000 0.303 82 G HA3 0.636 4.596 3.960 -0.000 0.000 0.303 82 G C -0.400 174.410 174.900 -0.150 0.000 1.166 82 G CA -0.519 44.545 45.100 -0.059 0.000 0.884 82 G HN 0.260 nan 8.290 nan 0.000 0.514 83 I N 1.102 121.461 120.570 -0.352 0.000 2.466 83 I HA 0.251 4.421 4.170 -0.000 0.000 0.279 83 I C -1.178 174.749 176.117 -0.316 0.000 1.033 83 I CA -0.432 60.737 61.300 -0.218 0.000 1.123 83 I CB 1.057 38.984 38.000 -0.121 0.000 1.237 83 I HN 0.336 nan 8.210 nan 0.000 0.460 84 Y N 3.291 123.633 120.300 0.069 0.000 2.457 84 Y HA 0.392 4.942 4.550 -0.000 0.000 0.333 84 Y C 0.470 176.405 175.900 0.058 0.000 1.119 84 Y CA -1.018 57.123 58.100 0.067 0.000 1.143 84 Y CB 0.935 39.442 38.460 0.078 0.000 1.230 84 Y HN 0.548 nan 8.280 nan 0.000 0.469 85 D N -0.320 120.212 120.400 0.220 0.000 2.414 85 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 85 D C 1.422 177.807 176.300 0.141 0.000 1.252 85 D CA -0.309 53.777 54.000 0.144 0.000 0.999 85 D CB 0.327 41.190 40.800 0.106 0.000 1.093 85 D HN 0.691 nan 8.370 nan 0.000 0.515 86 G N -1.023 107.834 108.800 0.095 0.000 2.586 86 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 86 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 86 G C 1.170 176.110 174.900 0.067 0.000 1.128 86 G CA 0.812 45.959 45.100 0.078 0.000 0.774 86 G HN 0.663 nan 8.290 nan 0.000 0.543 87 I N -4.404 116.207 120.570 0.068 0.000 3.424 87 I HA 0.426 4.596 4.170 -0.000 0.000 0.339 87 I C 0.412 176.567 176.117 0.063 0.000 1.549 87 I CA -0.669 60.670 61.300 0.065 0.000 1.049 87 I CB 0.383 38.424 38.000 0.068 0.000 1.439 87 I HN -0.005 nan 8.210 nan 0.000 0.500 88 Q N 2.282 122.113 119.800 0.052 0.000 2.452 88 Q HA -0.176 4.164 4.340 -0.000 0.000 0.318 88 Q C -0.943 175.106 176.000 0.082 0.000 1.386 88 Q CA 0.822 56.592 55.803 -0.055 0.000 0.872 88 Q CB -0.490 28.125 28.738 -0.206 0.000 1.151 88 Q HN 0.795 nan 8.270 nan 0.000 0.417 89 R N 0.811 121.463 120.500 0.254 0.000 2.562 89 R HA 0.565 4.905 4.340 -0.000 0.000 0.298 89 R C -2.594 173.925 176.300 0.365 0.000 0.961 89 R CA -2.132 54.132 56.100 0.273 0.000 0.881 89 R CB 1.188 31.574 30.300 0.143 0.000 1.159 89 R HN -0.005 nan 8.270 nan 0.000 0.450 90 P HA 0.095 nan 4.420 nan 0.000 0.280 90 P C 0.296 177.595 177.300 -0.002 0.000 1.300 90 P CA -0.154 62.946 63.100 -0.000 0.000 0.785 90 P CB 0.664 32.370 31.700 0.010 0.000 0.874 91 L N 1.928 123.130 121.223 -0.035 0.000 2.201 91 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 91 L C 2.304 179.165 176.870 -0.016 0.000 1.105 91 L CA 1.283 56.119 54.840 -0.006 0.000 0.775 91 L CB -0.529 41.526 42.059 -0.005 0.000 0.913 91 L HN 0.314 nan 8.230 nan 0.000 0.440 92 E N 0.281 120.456 120.200 -0.040 0.000 2.031 92 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 92 E C 2.321 178.918 176.600 -0.006 0.000 0.994 92 E CA 1.038 57.422 56.400 -0.026 0.000 0.800 92 E CB -0.183 29.496 29.700 -0.035 0.000 0.752 92 E HN 0.373 nan 8.360 nan 0.000 0.447 93 R N 0.474 120.975 120.500 0.002 0.000 2.120 93 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 93 R C 2.513 178.827 176.300 0.023 0.000 1.123 93 R CA 0.601 56.713 56.100 0.021 0.000 0.975 93 R CB -0.790 29.535 30.300 0.041 0.000 0.866 93 R HN 0.299 nan 8.270 nan 0.000 0.446 94 I N 0.476 121.059 120.570 0.023 0.000 2.202 94 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 94 I C 2.918 179.047 176.117 0.021 0.000 1.091 94 I CA 1.046 62.362 61.300 0.027 0.000 1.368 94 I CB -0.343 37.677 38.000 0.033 0.000 1.058 94 I HN 0.105 nan 8.210 nan 0.000 0.410 95 R N 1.401 121.907 120.500 0.011 0.000 2.094 95 R HA -0.233 4.106 4.340 -0.000 0.000 0.239 95 R C 2.117 178.421 176.300 0.006 0.000 1.137 95 R CA 2.130 58.231 56.100 0.002 0.000 0.943 95 R CB -0.316 29.978 30.300 -0.010 0.000 0.850 95 R HN 0.416 nan 8.270 nan 0.000 0.433 96 E N 0.094 120.298 120.200 0.007 0.000 2.130 96 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 96 E C 2.108 178.717 176.600 0.016 0.000 0.998 96 E CA 1.511 57.917 56.400 0.010 0.000 0.806 96 E CB 0.022 29.728 29.700 0.011 0.000 0.738 96 E HN 0.375 nan 8.360 nan 0.000 0.459 97 K N -0.477 119.935 120.400 0.020 0.000 2.167 97 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 97 K C 2.127 178.743 176.600 0.026 0.000 1.052 97 K CA 1.612 57.913 56.287 0.023 0.000 0.956 97 K CB 0.203 32.718 32.500 0.025 0.000 0.735 97 K HN 0.202 nan 8.250 nan 0.000 0.451 98 T N -3.639 110.932 114.554 0.029 0.000 2.993 98 T HA 0.319 4.669 4.350 -0.000 0.000 0.260 98 T C 0.832 175.560 174.700 0.047 0.000 0.939 98 T CA 0.489 62.614 62.100 0.040 0.000 0.886 98 T CB 0.909 69.807 68.868 0.049 0.000 1.209 98 T HN 0.324 nan 8.240 nan 0.000 0.518 99 G N 2.411 111.228 108.800 0.028 0.000 2.464 99 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.216 99 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.216 99 G C 0.648 175.532 174.900 -0.027 0.000 1.186 99 G CA 0.034 45.142 45.100 0.013 0.000 1.010 99 G HN 1.051 nan 8.290 nan 0.000 0.585 100 I N -1.682 118.835 120.570 -0.088 0.000 2.500 100 I HA 0.330 4.500 4.170 -0.000 0.000 0.252 100 I C 1.196 177.116 176.117 -0.327 0.000 1.142 100 I CA 0.560 61.707 61.300 -0.255 0.000 1.451 100 I CB -0.173 37.578 38.000 -0.415 0.000 1.093 100 I HN 0.328 nan 8.210 nan 0.000 0.430 101 Y N 1.565 121.871 120.300 0.011 0.000 2.403 101 Y HA 0.567 5.117 4.550 -0.000 0.000 0.323 101 Y C 0.311 176.220 175.900 0.015 0.000 1.226 101 Y CA -0.973 57.134 58.100 0.013 0.000 1.235 101 Y CB 1.157 39.623 38.460 0.011 0.000 1.248 101 Y HN -0.128 nan 8.280 nan 0.000 0.489 102 I N 2.126 122.807 120.570 0.185 0.000 2.291 102 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 102 I C 0.041 176.216 176.117 0.097 0.000 1.064 102 I CA -0.191 61.175 61.300 0.111 0.000 1.269 102 I CB 0.533 38.583 38.000 0.082 0.000 1.418 102 I HN 0.586 nan 8.210 nan 0.000 0.485 103 T N 6.763 121.364 114.554 0.079 0.000 2.907 103 T HA 0.189 4.539 4.350 -0.000 0.000 0.298 103 T C 0.466 175.193 174.700 0.044 0.000 1.017 103 T CA -0.464 61.669 62.100 0.056 0.000 1.118 103 T CB 0.473 69.371 68.868 0.049 0.000 0.948 103 T HN 0.619 nan 8.240 nan 0.000 0.531 104 R N 2.009 122.530 120.500 0.035 0.000 2.679 104 R HA 0.462 4.802 4.340 -0.000 0.000 0.269 104 R C 0.960 177.275 176.300 0.026 0.000 1.076 104 R CA 0.300 56.420 56.100 0.033 0.000 1.160 104 R CB -0.037 30.280 30.300 0.028 0.000 1.054 104 R HN 0.783 nan 8.270 nan 0.000 0.507 105 G N 0.828 109.644 108.800 0.026 0.000 2.153 105 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.252 105 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.252 105 G C -0.075 174.831 174.900 0.011 0.000 0.994 105 G CA 0.165 45.274 45.100 0.015 0.000 0.698 105 G HN 0.482 nan 8.290 nan 0.000 0.521 106 V N 0.415 120.340 119.914 0.017 0.000 2.555 106 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 106 V C 0.938 177.029 176.094 -0.005 0.000 1.044 106 V CA 0.312 62.619 62.300 0.011 0.000 1.026 106 V CB 1.724 33.561 31.823 0.023 0.000 0.981 106 V HN 0.901 nan 8.190 nan 0.000 0.480 107 V N 7.832 127.729 119.914 -0.027 0.000 2.250 107 V HA 0.572 4.692 4.120 -0.000 0.000 0.268 107 V C -0.147 175.871 176.094 -0.126 0.000 1.043 107 V CA -0.196 62.058 62.300 -0.077 0.000 0.814 107 V CB 1.147 32.919 31.823 -0.085 0.000 1.072 107 V HN 0.719 nan 8.190 nan 0.000 0.451 108 V N 3.645 123.492 119.914 -0.111 0.000 3.267 108 V HA 0.729 4.849 4.120 -0.000 0.000 0.317 108 V C -0.244 175.733 176.094 -0.196 0.000 1.131 108 V CA -0.731 61.510 62.300 -0.100 0.000 1.031 108 V CB 1.843 33.679 31.823 0.022 0.000 1.159 108 V HN 0.788 nan 8.190 nan 0.000 0.454 109 H N 0.105 119.205 119.070 0.049 0.000 2.495 109 H HA 0.614 5.169 4.556 -0.000 0.000 0.348 109 H C 0.934 176.304 175.328 0.070 0.000 1.113 109 H CA 0.026 56.092 56.048 0.030 0.000 1.195 109 H CB 2.300 32.057 29.762 -0.007 0.000 1.521 109 H HN 0.918 nan 8.280 nan 0.000 0.509 110 A N 3.339 126.254 122.820 0.159 0.000 1.908 110 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 110 A C 0.640 178.359 177.584 0.225 0.000 1.181 110 A CA 1.261 53.395 52.037 0.162 0.000 0.627 110 A CB -0.051 18.878 19.000 -0.119 0.000 0.818 110 A HN 0.295 nan 8.150 nan 0.000 0.445 111 L N 0.710 121.966 121.223 0.056 0.000 2.305 111 L HA 0.322 4.662 4.340 -0.000 0.000 0.284 111 L C -0.168 176.723 176.870 0.034 0.000 1.013 111 L CA -1.046 53.810 54.840 0.027 0.000 0.819 111 L CB 1.145 43.081 42.059 -0.205 0.000 1.227 111 L HN 0.263 nan 8.230 nan 0.000 0.417 112 D N 3.487 123.961 120.400 0.122 0.000 2.472 112 D HA -0.048 4.592 4.640 -0.000 0.000 0.248 112 D C 0.712 177.043 176.300 0.051 0.000 1.174 112 D CA 0.020 54.076 54.000 0.093 0.000 0.883 112 D CB 1.083 41.951 40.800 0.114 0.000 1.149 112 D HN 0.360 nan 8.370 nan 0.000 0.488 113 R N 3.057 123.536 120.500 -0.035 0.000 2.297 113 R HA 0.004 4.344 4.340 -0.000 0.000 0.197 113 R C 1.142 177.439 176.300 -0.005 0.000 0.943 113 R CA 0.257 56.320 56.100 -0.061 0.000 1.038 113 R CB 0.326 30.512 30.300 -0.190 0.000 0.957 113 R HN 0.568 nan 8.270 nan 0.000 0.484 114 E N 0.948 121.148 120.200 -0.000 0.000 2.162 114 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 114 E C 0.535 177.111 176.600 -0.041 0.000 0.953 114 E CA 0.058 56.450 56.400 -0.013 0.000 0.849 114 E CB 0.107 29.797 29.700 -0.015 0.000 0.810 114 E HN 0.100 nan 8.360 nan 0.000 0.470 115 K N 2.382 122.740 120.400 -0.071 0.000 2.511 115 K HA -0.056 4.264 4.320 -0.000 0.000 0.280 115 K C -0.116 176.340 176.600 -0.239 0.000 1.008 115 K CA 0.333 56.490 56.287 -0.216 0.000 1.050 115 K CB 0.482 32.790 32.500 -0.321 0.000 0.889 115 K HN -0.318 nan 8.250 nan 0.000 0.484 116 K N 4.155 124.381 120.400 -0.290 0.000 2.205 116 K HA 0.157 4.477 4.320 -0.000 0.000 0.279 116 K C -0.900 175.492 176.600 -0.347 0.000 1.027 116 K CA -0.139 56.031 56.287 -0.195 0.000 0.932 116 K CB 0.749 33.173 32.500 -0.127 0.000 1.032 116 K HN 0.504 nan 8.250 nan 0.000 0.466 117 W N 0.082 121.403 121.300 0.035 0.000 2.689 117 W HA 0.428 5.088 4.660 -0.000 0.000 0.340 117 W C -0.082 176.507 176.519 0.116 0.000 1.060 117 W CA -0.960 56.421 57.345 0.059 0.000 1.218 117 W CB 1.474 30.979 29.460 0.074 0.000 1.410 117 W HN 0.554 nan 8.180 nan 0.000 0.528 118 A N 4.175 127.213 122.820 0.364 0.000 2.527 118 A HA 0.136 4.456 4.320 -0.000 0.000 0.313 118 A C -0.652 177.160 177.584 0.380 0.000 1.410 118 A CA -0.513 51.690 52.037 0.277 0.000 1.060 118 A CB -0.238 18.862 19.000 0.166 0.000 1.137 118 A HN 0.767 nan 8.150 nan 0.000 0.542 119 W N 3.838 125.285 121.300 0.245 0.000 2.303 119 W HA 0.269 4.929 4.660 -0.000 0.000 0.318 119 W C -1.287 175.341 176.519 0.182 0.000 1.362 119 W CA 0.141 57.637 57.345 0.251 0.000 1.234 119 W CB 0.758 30.464 29.460 0.411 0.000 1.248 119 W HN 0.468 nan 8.180 nan 0.000 0.546 120 T N 9.054 123.414 114.554 -0.322 0.000 2.842 120 T HA 0.233 4.583 4.350 -0.000 0.000 0.308 120 T C -2.339 171.719 174.700 -1.070 0.000 1.041 120 T CA -1.160 60.619 62.100 -0.536 0.000 0.964 120 T CB 1.427 70.161 68.868 -0.223 0.000 0.972 120 T HN 0.258 nan 8.240 nan 0.000 0.460 121 P HA 0.310 nan 4.420 nan 0.000 0.275 121 P C -0.271 176.768 177.300 -0.435 0.000 1.228 121 P CA -0.398 62.089 63.100 -1.021 0.000 0.786 121 P CB 0.900 32.340 31.700 -0.433 0.000 0.927 122 M N 1.247 120.686 119.600 -0.268 0.000 2.511 122 M HA 0.156 4.636 4.480 -0.000 0.000 0.387 122 M C -0.271 176.000 176.300 -0.048 0.000 1.112 122 M CA -0.195 55.028 55.300 -0.129 0.000 0.921 122 M CB 0.901 33.437 32.600 -0.107 0.000 1.501 122 M HN 0.139 nan 8.290 nan 0.000 0.538 123 V N -2.402 117.502 119.914 -0.016 0.000 2.971 123 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 123 V C -1.152 174.960 176.094 0.030 0.000 1.130 123 V CA -0.954 61.358 62.300 0.019 0.000 0.964 123 V CB 2.226 34.077 31.823 0.047 0.000 1.029 123 V HN 0.094 nan 8.190 nan 0.000 0.427 124 K N 2.980 123.393 120.400 0.023 0.000 2.258 124 K HA 0.789 5.109 4.320 -0.000 0.000 0.236 124 K C -2.848 173.768 176.600 0.027 0.000 1.008 124 K CA -2.166 54.137 56.287 0.026 0.000 0.869 124 K CB 1.363 33.873 32.500 0.016 0.000 1.171 124 K HN 0.519 nan 8.250 nan 0.000 0.447 125 P HA 0.006 nan 4.420 nan 0.000 0.269 125 P C 0.502 177.810 177.300 0.014 0.000 1.217 125 P CA 0.701 63.813 63.100 0.021 0.000 0.783 125 P CB 0.440 32.152 31.700 0.020 0.000 0.898 126 G N 0.151 108.957 108.800 0.010 0.000 2.302 126 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 126 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 126 G C 0.003 174.906 174.900 0.006 0.000 0.995 126 G CA 0.259 45.363 45.100 0.007 0.000 0.622 126 G HN 0.539 nan 8.290 nan 0.000 0.538 127 D N 1.893 122.298 120.400 0.008 0.000 2.443 127 D HA 0.423 5.063 4.640 -0.000 0.000 0.239 127 D C 0.604 176.906 176.300 0.004 0.000 1.136 127 D CA 0.373 54.377 54.000 0.007 0.000 0.879 127 D CB 0.558 41.364 40.800 0.011 0.000 1.195 127 D HN 0.310 nan 8.370 nan 0.000 0.443 128 E N 0.826 121.027 120.200 0.001 0.000 2.197 128 E HA 0.366 4.716 4.350 -0.000 0.000 0.281 128 E C -0.413 176.185 176.600 -0.004 0.000 0.995 128 E CA -0.726 55.673 56.400 -0.002 0.000 0.808 128 E CB 1.714 31.412 29.700 -0.004 0.000 1.093 128 E HN 0.240 nan 8.360 nan 0.000 0.394 129 V N 0.826 120.736 119.914 -0.007 0.000 2.656 129 V HA 0.665 4.785 4.120 -0.000 0.000 0.307 129 V C -0.164 175.919 176.094 -0.018 0.000 1.051 129 V CA -1.109 61.184 62.300 -0.011 0.000 0.893 129 V CB 2.242 34.060 31.823 -0.008 0.000 0.999 129 V HN 0.431 nan 8.190 nan 0.000 0.426 130 R N 1.976 122.462 120.500 -0.023 0.000 2.902 130 R HA 0.671 5.010 4.340 -0.000 0.000 0.258 130 R C 0.442 176.717 176.300 -0.042 0.000 1.071 130 R CA -0.165 55.918 56.100 -0.028 0.000 1.024 130 R CB 1.970 32.255 30.300 -0.024 0.000 1.184 130 R HN 1.151 nan 8.270 nan 0.000 0.492 131 G N -0.798 107.973 108.800 -0.048 0.000 2.432 131 G HA2 0.329 4.289 3.960 -0.000 0.000 0.239 131 G HA3 0.329 4.289 3.960 -0.000 0.000 0.239 131 G C 0.857 175.707 174.900 -0.083 0.000 1.291 131 G CA 0.660 45.716 45.100 -0.073 0.000 0.863 131 G HN 0.708 nan 8.290 nan 0.000 0.560 132 G N 1.128 109.862 108.800 -0.109 0.000 2.217 132 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.246 132 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.246 132 G C 0.703 175.553 174.900 -0.083 0.000 0.990 132 G CA 0.587 45.623 45.100 -0.107 0.000 0.627 132 G HN 0.723 nan 8.290 nan 0.000 0.522 133 M N 0.669 120.232 119.600 -0.061 0.000 2.198 133 M HA 0.439 4.918 4.480 -0.000 0.000 0.315 133 M C 0.780 177.065 176.300 -0.026 0.000 1.134 133 M CA -0.191 55.085 55.300 -0.041 0.000 1.171 133 M CB 1.095 33.678 32.600 -0.027 0.000 1.413 133 M HN -0.049 nan 8.290 nan 0.000 0.467 134 V N 3.182 123.089 119.914 -0.013 0.000 2.432 134 V HA 0.074 4.194 4.120 -0.000 0.000 0.271 134 V C 0.959 177.077 176.094 0.040 0.000 1.046 134 V CA -0.058 62.248 62.300 0.010 0.000 0.945 134 V CB 0.849 32.672 31.823 0.000 0.000 0.992 134 V HN 0.788 nan 8.190 nan 0.000 0.471 135 L N 3.630 124.913 121.223 0.100 0.000 2.307 135 L HA 0.440 4.779 4.340 -0.000 0.000 0.211 135 L C 1.148 178.106 176.870 0.147 0.000 1.099 135 L CA 1.102 56.047 54.840 0.174 0.000 0.816 135 L CB 0.123 42.349 42.059 0.279 0.000 0.952 135 L HN 0.890 nan 8.230 nan 0.000 0.455 136 G N -1.692 107.158 108.800 0.083 0.000 2.325 136 G HA2 0.324 4.283 3.960 -0.000 0.000 0.295 136 G HA3 0.324 4.283 3.960 -0.000 0.000 0.295 136 G C -1.491 173.403 174.900 -0.010 0.000 1.274 136 G CA -0.333 44.632 45.100 -0.225 0.000 0.857 136 G HN -0.263 nan 8.290 nan 0.000 0.499 137 T N -1.193 113.311 114.554 -0.084 0.000 2.900 137 T HA 0.688 5.037 4.350 -0.000 0.000 0.303 137 T C -1.624 173.178 174.700 0.170 0.000 1.142 137 T CA -0.294 61.857 62.100 0.085 0.000 1.007 137 T CB 2.016 70.907 68.868 0.038 0.000 1.156 137 T HN 1.033 nan 8.240 nan 0.000 0.490 138 V N 4.816 124.867 119.914 0.228 0.000 2.851 138 V HA 0.537 4.657 4.120 -0.000 0.000 0.307 138 V C -2.417 173.842 176.094 0.275 0.000 1.129 138 V CA -1.925 60.530 62.300 0.259 0.000 0.932 138 V CB 2.784 34.726 31.823 0.197 0.000 1.024 138 V HN 0.720 nan 8.190 nan 0.000 0.426 139 P HA 0.240 nan 4.420 nan 0.000 0.276 139 P C -0.946 176.564 177.300 0.350 0.000 1.235 139 P CA -0.003 63.261 63.100 0.275 0.000 0.772 139 P CB 0.883 32.700 31.700 0.195 0.000 0.871 140 E N 3.740 124.152 120.200 0.352 0.000 2.267 140 E HA 0.329 4.679 4.350 -0.000 0.000 0.248 140 E C -0.179 176.596 176.600 0.292 0.000 0.899 140 E CA -0.572 56.022 56.400 0.323 0.000 0.764 140 E CB 0.183 30.145 29.700 0.437 0.000 1.227 140 E HN 0.320 nan 8.360 nan 0.000 0.421 141 F N 1.256 121.335 119.950 0.214 0.000 2.426 141 F HA -0.434 4.092 4.527 -0.000 0.000 0.283 141 F C 1.727 177.567 175.800 0.067 0.000 1.467 141 F CA 1.284 59.347 58.000 0.105 0.000 1.793 141 F CB -1.297 37.750 39.000 0.078 0.000 1.994 141 F HN 0.617 nan 8.300 nan 0.000 0.187 142 G N -0.446 108.485 108.800 0.217 0.000 2.494 142 G HA2 0.120 4.080 3.960 -0.000 0.000 0.216 142 G HA3 0.120 4.080 3.960 -0.000 0.000 0.216 142 G C 0.097 174.915 174.900 -0.137 0.000 1.140 142 G CA 0.100 45.148 45.100 -0.087 0.000 0.801 142 G HN 0.205 nan 8.290 nan 0.000 0.536 143 F N 1.151 121.209 119.950 0.180 0.000 2.384 143 F HA 0.296 4.823 4.527 -0.000 0.000 0.338 143 F C 0.525 176.456 175.800 0.220 0.000 1.103 143 F CA -0.551 57.536 58.000 0.145 0.000 1.157 143 F CB 1.579 40.659 39.000 0.134 0.000 1.167 143 F HN -0.254 nan 8.300 nan 0.000 0.529 144 T N 2.285 117.143 114.554 0.508 0.000 3.176 144 T HA 0.027 4.377 4.350 -0.000 0.000 0.301 144 T C -0.353 174.614 174.700 0.446 0.000 1.115 144 T CA -0.187 62.143 62.100 0.384 0.000 1.027 144 T CB -0.916 68.117 68.868 0.276 0.000 1.063 144 T HN 0.437 nan 8.240 nan 0.000 0.669 145 H N 3.671 122.936 119.070 0.326 0.000 3.026 145 H HA 0.132 4.688 4.556 -0.000 0.000 0.289 145 H C 0.350 175.749 175.328 0.119 0.000 1.022 145 H CA -0.126 56.062 56.048 0.234 0.000 1.477 145 H CB 0.354 30.222 29.762 0.177 0.000 1.510 145 H HN 0.357 nan 8.280 nan 0.000 0.535 146 K N 5.876 126.360 120.400 0.140 0.000 2.205 146 K HA 0.184 4.504 4.320 -0.000 0.000 0.279 146 K C -0.442 176.283 176.600 0.209 0.000 1.027 146 K CA -0.853 55.503 56.287 0.115 0.000 0.932 146 K CB 1.472 33.943 32.500 -0.048 0.000 1.032 146 K HN 0.464 nan 8.250 nan 0.000 0.466 147 I N 4.764 125.470 120.570 0.227 0.000 2.337 147 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 147 I C 0.202 176.412 176.117 0.155 0.000 1.046 147 I CA -0.419 61.025 61.300 0.241 0.000 1.324 147 I CB -0.033 38.171 38.000 0.340 0.000 1.409 147 I HN 0.410 nan 8.210 nan 0.000 0.494 148 L N 6.235 127.543 121.223 0.142 0.000 2.334 148 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 148 L C 0.051 176.902 176.870 -0.032 0.000 1.036 148 L CA -1.138 53.728 54.840 0.044 0.000 0.807 148 L CB 1.698 43.775 42.059 0.031 0.000 1.231 148 L HN 0.150 nan 8.230 nan 0.000 0.438 149 V N 3.323 123.193 119.914 -0.073 0.000 2.540 149 V HA 0.037 4.157 4.120 -0.000 0.000 0.297 149 V C -1.889 174.039 176.094 -0.278 0.000 1.024 149 V CA -1.034 61.186 62.300 -0.134 0.000 1.105 149 V CB 0.128 31.898 31.823 -0.088 0.000 0.938 149 V HN 0.613 nan 8.190 nan 0.000 0.482 150 P HA 0.112 nan 4.420 nan 0.000 0.266 150 P C -2.500 174.645 177.300 -0.258 0.000 1.193 150 P CA -0.824 61.903 63.100 -0.622 0.000 0.770 150 P CB -0.212 31.244 31.700 -0.406 0.000 0.836 151 P HA -0.007 nan 4.420 nan 0.000 0.270 151 P C 0.028 177.346 177.300 0.030 0.000 1.223 151 P CA 0.653 63.701 63.100 -0.088 0.000 0.785 151 P CB 0.241 31.856 31.700 -0.142 0.000 0.923 152 D N -2.560 117.862 120.400 0.036 0.000 2.154 152 D HA -0.130 4.510 4.640 -0.000 0.000 0.165 152 D C -0.040 176.268 176.300 0.013 0.000 1.405 152 D CA 1.023 55.055 54.000 0.054 0.000 1.308 152 D CB -1.486 39.385 40.800 0.118 0.000 1.265 152 D HN 0.143 nan 8.370 nan 0.000 0.498 153 V N 1.934 121.837 119.914 -0.017 0.000 2.743 153 V HA 0.706 4.826 4.120 -0.000 0.000 0.301 153 V C 0.742 176.817 176.094 -0.032 0.000 1.057 153 V CA 0.002 62.283 62.300 -0.031 0.000 1.006 153 V CB 1.903 33.692 31.823 -0.057 0.000 1.024 153 V HN 0.301 nan 8.190 nan 0.000 0.473 154 R N 2.095 122.580 120.500 -0.026 0.000 2.728 154 R HA 0.761 5.101 4.340 -0.000 0.000 0.274 154 R C -0.407 175.882 176.300 -0.018 0.000 1.032 154 R CA -0.213 55.873 56.100 -0.022 0.000 0.866 154 R CB 1.542 31.831 30.300 -0.017 0.000 1.263 154 R HN 1.261 nan 8.270 nan 0.000 0.475 155 G N 0.838 109.629 108.800 -0.015 0.000 2.352 155 G HA2 0.167 4.127 3.960 -0.000 0.000 0.283 155 G HA3 0.167 4.127 3.960 -0.000 0.000 0.283 155 G C -1.738 173.156 174.900 -0.009 0.000 1.308 155 G CA -1.118 43.974 45.100 -0.012 0.000 0.892 155 G HN 0.618 nan 8.290 nan 0.000 0.504 156 R N -0.492 120.004 120.500 -0.007 0.000 2.474 156 R HA 0.633 4.973 4.340 -0.000 0.000 0.295 156 R C -0.413 175.886 176.300 -0.002 0.000 0.980 156 R CA -0.765 55.333 56.100 -0.003 0.000 0.934 156 R CB 2.200 32.499 30.300 -0.002 0.000 1.101 156 R HN 0.293 nan 8.270 nan 0.000 0.469 157 V N 3.359 123.275 119.914 0.003 0.000 2.479 157 V HA -0.020 4.100 4.120 -0.000 0.000 0.281 157 V C 1.378 177.476 176.094 0.007 0.000 1.031 157 V CA 0.401 62.706 62.300 0.008 0.000 1.038 157 V CB 0.935 32.771 31.823 0.021 0.000 0.981 157 V HN 0.828 nan 8.190 nan 0.000 0.478 158 K N 4.034 124.436 120.400 0.003 0.000 2.102 158 K HA 0.123 4.443 4.320 -0.000 0.000 0.206 158 K C 0.687 177.293 176.600 0.009 0.000 1.031 158 K CA 0.504 56.793 56.287 0.003 0.000 0.962 158 K CB 0.355 32.853 32.500 -0.003 0.000 0.811 158 K HN 0.895 nan 8.250 nan 0.000 0.453 159 E N 0.050 120.254 120.200 0.006 0.000 2.359 159 E HA 0.448 4.798 4.350 -0.000 0.000 0.266 159 E C -1.230 175.385 176.600 0.025 0.000 0.920 159 E CA -1.081 55.328 56.400 0.015 0.000 0.788 159 E CB 2.418 32.122 29.700 0.006 0.000 1.279 159 E HN -0.088 nan 8.360 nan 0.000 0.438 160 V N 0.953 120.897 119.914 0.051 0.000 2.808 160 V HA 0.276 4.396 4.120 -0.000 0.000 0.308 160 V C -0.532 175.637 176.094 0.124 0.000 1.099 160 V CA -1.210 61.155 62.300 0.108 0.000 0.920 160 V CB 2.013 33.931 31.823 0.159 0.000 1.014 160 V HN 0.558 nan 8.190 nan 0.000 0.425 161 K N 4.823 125.293 120.400 0.116 0.000 2.368 161 K HA 0.321 4.641 4.320 -0.000 0.000 0.282 161 K C -2.421 174.427 176.600 0.414 0.000 1.035 161 K CA -1.637 54.704 56.287 0.090 0.000 0.973 161 K CB 1.136 33.371 32.500 -0.441 0.000 0.957 161 K HN 0.396 nan 8.250 nan 0.000 0.474 162 P HA -0.000 nan 4.420 nan 0.000 0.271 162 P C -0.548 177.015 177.300 0.439 0.000 1.218 162 P CA -0.327 62.953 63.100 0.299 0.000 0.780 162 P CB 0.483 32.310 31.700 0.211 0.000 0.901 163 A N 2.204 125.168 122.820 0.240 0.000 2.608 163 A HA 0.371 4.691 4.320 -0.000 0.000 0.239 163 A C 0.932 178.686 177.584 0.285 0.000 1.018 163 A CA 1.347 53.508 52.037 0.207 0.000 0.766 163 A CB -1.276 17.754 19.000 0.051 0.000 0.928 163 A HN 0.890 nan 8.150 nan 0.000 0.512 164 G N 1.219 110.200 108.800 0.301 0.000 2.320 164 G HA2 0.464 4.424 3.960 -0.000 0.000 0.296 164 G HA3 0.464 4.424 3.960 -0.000 0.000 0.296 164 G C -1.360 173.377 174.900 -0.272 0.000 1.306 164 G CA -0.801 44.270 45.100 -0.047 0.000 0.836 164 G HN 0.708 nan 8.290 nan 0.000 0.517 165 E N 0.225 120.120 120.200 -0.509 0.000 2.109 165 E HA 0.528 4.878 4.350 -0.000 0.000 0.278 165 E C -1.246 175.026 176.600 -0.547 0.000 0.954 165 E CA -0.200 55.988 56.400 -0.353 0.000 0.779 165 E CB 1.294 30.893 29.700 -0.169 0.000 1.093 165 E HN 0.383 nan 8.360 nan 0.000 0.401 166 Y N -0.133 120.246 120.300 0.131 0.000 2.602 166 Y HA 0.283 4.833 4.550 -0.000 0.000 0.342 166 Y C 0.867 176.853 175.900 0.143 0.000 1.029 166 Y CA -1.065 57.088 58.100 0.088 0.000 1.080 166 Y CB 1.504 39.974 38.460 0.017 0.000 1.284 166 Y HN 0.360 nan 8.280 nan 0.000 0.485 167 T N -2.422 112.300 114.554 0.280 0.000 2.881 167 T HA 0.321 4.671 4.350 -0.000 0.000 0.278 167 T C 1.067 175.915 174.700 0.246 0.000 0.982 167 T CA -0.186 62.071 62.100 0.262 0.000 0.989 167 T CB 1.034 69.987 68.868 0.142 0.000 1.058 167 T HN 0.721 nan 8.240 nan 0.000 0.529 168 V N -1.347 118.711 119.914 0.240 0.000 2.913 168 V HA 0.062 4.182 4.120 -0.000 0.000 0.260 168 V C 2.179 178.401 176.094 0.214 0.000 1.098 168 V CA 1.739 64.136 62.300 0.162 0.000 1.121 168 V CB -1.325 30.540 31.823 0.070 0.000 0.714 168 V HN 0.879 nan 8.190 nan 0.000 0.487 169 E N 1.078 121.369 120.200 0.151 0.000 2.358 169 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 169 E C 0.967 177.587 176.600 0.033 0.000 1.010 169 E CA 0.256 56.738 56.400 0.137 0.000 0.856 169 E CB -0.127 29.616 29.700 0.071 0.000 0.795 169 E HN 0.819 nan 8.360 nan 0.000 0.504 170 E N 1.344 121.538 120.200 -0.010 0.000 2.316 170 E HA 0.105 4.455 4.350 -0.000 0.000 0.275 170 E C -2.244 174.223 176.600 -0.223 0.000 1.029 170 E CA -1.893 54.445 56.400 -0.103 0.000 0.871 170 E CB 0.678 30.317 29.700 -0.102 0.000 1.022 170 E HN 0.032 nan 8.360 nan 0.000 0.418 171 P HA -0.063 nan 4.420 nan 0.000 0.264 171 P C 0.918 177.996 177.300 -0.370 0.000 1.537 171 P CA 0.125 63.077 63.100 -0.247 0.000 1.189 171 P CB 0.093 31.695 31.700 -0.163 0.000 1.687 172 V N 1.913 121.499 119.914 -0.547 0.000 2.667 172 V HA -0.014 4.106 4.120 -0.000 0.000 0.252 172 V C 0.752 176.583 176.094 -0.438 0.000 1.065 172 V CA 1.116 62.908 62.300 -0.846 0.000 1.083 172 V CB -0.337 30.482 31.823 -1.674 0.000 0.692 172 V HN 0.095 nan 8.190 nan 0.000 0.468 173 V N 0.037 119.789 119.914 -0.270 0.000 2.760 173 V HA 0.626 4.746 4.120 -0.000 0.000 0.309 173 V C -0.718 175.321 176.094 -0.091 0.000 1.077 173 V CA -0.474 61.772 62.300 -0.091 0.000 0.910 173 V CB 2.107 33.931 31.823 0.002 0.000 1.008 173 V HN 0.128 nan 8.190 nan 0.000 0.424 174 V N 5.473 125.354 119.914 -0.055 0.000 2.656 174 V HA 0.548 4.668 4.120 -0.000 0.000 0.307 174 V C -0.234 175.843 176.094 -0.029 0.000 1.051 174 V CA -0.565 61.705 62.300 -0.051 0.000 0.893 174 V CB 1.961 33.754 31.823 -0.050 0.000 0.999 174 V HN 0.655 nan 8.190 nan 0.000 0.426 175 L N 2.440 123.645 121.223 -0.030 0.000 2.416 175 L HA 0.503 4.843 4.340 -0.000 0.000 0.262 175 L C 1.459 178.319 176.870 -0.017 0.000 1.093 175 L CA -0.529 54.299 54.840 -0.020 0.000 0.801 175 L CB 0.866 42.911 42.059 -0.023 0.000 1.191 175 L HN 0.658 nan 8.230 nan 0.000 0.459 176 E N 0.048 120.241 120.200 -0.012 0.000 2.110 176 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 176 E C 1.030 177.622 176.600 -0.012 0.000 0.988 176 E CA 1.195 57.589 56.400 -0.010 0.000 0.804 176 E CB 0.026 29.722 29.700 -0.007 0.000 0.745 176 E HN 0.643 nan 8.360 nan 0.000 0.458 177 D N -0.654 119.738 120.400 -0.014 0.000 2.292 177 D HA -0.174 4.466 4.640 -0.000 0.000 0.205 177 D C 1.454 177.743 176.300 -0.018 0.000 0.994 177 D CA 1.610 55.601 54.000 -0.015 0.000 0.897 177 D CB -0.221 40.568 40.800 -0.018 0.000 0.907 177 D HN 0.398 nan 8.370 nan 0.000 0.467 178 G N -1.612 107.176 108.800 -0.020 0.000 2.217 178 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.246 178 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.246 178 G C 0.621 175.502 174.900 -0.032 0.000 0.990 178 G CA 0.515 45.601 45.100 -0.024 0.000 0.627 178 G HN 0.407 nan 8.290 nan 0.000 0.522 179 T N 2.101 116.634 114.554 -0.034 0.000 2.871 179 T HA 0.378 4.728 4.350 -0.000 0.000 0.296 179 T C 0.275 174.940 174.700 -0.058 0.000 0.998 179 T CA 0.711 62.785 62.100 -0.044 0.000 1.162 179 T CB 0.786 69.628 68.868 -0.043 0.000 0.947 179 T HN 0.442 nan 8.240 nan 0.000 0.536 180 E N 2.687 122.845 120.200 -0.071 0.000 2.175 180 E HA 0.426 4.776 4.350 -0.000 0.000 0.278 180 E C -0.587 175.941 176.600 -0.120 0.000 0.969 180 E CA -0.543 55.800 56.400 -0.094 0.000 0.796 180 E CB 1.283 30.926 29.700 -0.094 0.000 1.104 180 E HN 0.452 nan 8.360 nan 0.000 0.395 181 L N 3.547 124.687 121.223 -0.138 0.000 2.333 181 L HA 0.445 4.785 4.340 -0.000 0.000 0.280 181 L C 0.111 176.849 176.870 -0.219 0.000 1.004 181 L CA -0.650 54.094 54.840 -0.160 0.000 0.820 181 L CB 1.216 43.204 42.059 -0.119 0.000 1.247 181 L HN 0.348 nan 8.230 nan 0.000 0.416 182 K N 2.130 122.379 120.400 -0.252 0.000 2.450 182 K HA 0.501 4.821 4.320 -0.000 0.000 0.248 182 K C 0.589 177.058 176.600 -0.217 0.000 1.056 182 K CA -0.811 55.312 56.287 -0.274 0.000 0.974 182 K CB 1.196 33.508 32.500 -0.313 0.000 1.334 182 K HN 0.489 nan 8.250 nan 0.000 0.516 183 M N 0.231 119.745 119.600 -0.143 0.000 2.492 183 M HA -0.009 4.471 4.480 -0.000 0.000 0.262 183 M C -0.156 176.167 176.300 0.038 0.000 1.090 183 M CA 1.141 56.394 55.300 -0.078 0.000 1.110 183 M CB 0.098 32.629 32.600 -0.116 0.000 1.407 183 M HN 0.480 nan 8.290 nan 0.000 0.470 184 Y N -1.461 118.786 120.300 -0.089 0.000 2.634 184 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 184 Y C -0.613 175.304 175.900 0.029 0.000 1.058 184 Y CA -1.816 56.234 58.100 -0.083 0.000 1.081 184 Y CB 0.710 39.066 38.460 -0.173 0.000 1.295 184 Y HN 0.075 nan 8.280 nan 0.000 0.487 185 H N -0.855 118.123 119.070 -0.154 0.000 2.928 185 H HA 0.554 5.110 4.556 -0.000 0.000 0.371 185 H C -1.117 174.245 175.328 0.057 0.000 1.186 185 H CA -0.491 55.445 56.048 -0.186 0.000 1.134 185 H CB 1.516 31.220 29.762 -0.097 0.000 1.824 185 H HN 0.930 nan 8.280 nan 0.000 0.554 186 T N -0.794 113.818 114.554 0.097 0.000 2.902 186 T HA 0.390 4.740 4.350 -0.000 0.000 0.280 186 T C -0.553 174.269 174.700 0.203 0.000 0.992 186 T CA -0.767 61.383 62.100 0.083 0.000 1.015 186 T CB 1.652 70.579 68.868 0.099 0.000 1.044 186 T HN 0.714 nan 8.240 nan 0.000 0.520 187 W N 3.326 124.591 121.300 -0.059 0.000 3.425 187 W HA 0.358 5.018 4.660 -0.000 0.000 0.318 187 W C -3.126 173.386 176.519 -0.011 0.000 1.201 187 W CA -2.488 54.852 57.345 -0.009 0.000 1.212 187 W CB 2.076 31.528 29.460 -0.014 0.000 1.355 187 W HN 0.590 nan 8.180 nan 0.000 0.515 188 P HA -0.003 nan 4.420 nan 0.000 0.271 188 P C 0.621 177.795 177.300 -0.209 0.000 1.220 188 P CA 0.293 63.136 63.100 -0.428 0.000 0.768 188 P CB 1.534 32.909 31.700 -0.542 0.000 0.848 189 V N 2.510 122.414 119.914 -0.018 0.000 3.129 189 V HA -0.015 4.105 4.120 -0.000 0.000 0.259 189 V C 1.718 177.878 176.094 0.110 0.000 1.116 189 V CA 0.836 63.209 62.300 0.121 0.000 1.127 189 V CB -0.977 30.929 31.823 0.137 0.000 0.742 189 V HN 0.362 nan 8.190 nan 0.000 0.474 190 R N 0.605 121.095 120.500 -0.016 0.000 2.310 190 R HA 0.239 4.579 4.340 -0.000 0.000 0.202 190 R C 1.007 177.306 176.300 -0.001 0.000 0.933 190 R CA -0.047 56.016 56.100 -0.063 0.000 1.054 190 R CB -0.003 30.177 30.300 -0.200 0.000 0.985 190 R HN 0.446 nan 8.270 nan 0.000 0.489 191 R N 1.576 122.101 120.500 0.042 0.000 2.246 191 R HA 0.299 4.639 4.340 -0.000 0.000 0.332 191 R C -0.798 175.709 176.300 0.344 0.000 0.974 191 R CA -0.268 55.900 56.100 0.113 0.000 0.837 191 R CB 1.126 31.402 30.300 -0.039 0.000 1.145 191 R HN 0.034 nan 8.270 nan 0.000 0.467 192 A N 5.104 128.069 122.820 0.243 0.000 2.583 192 A HA -0.047 4.273 4.320 -0.000 0.000 0.249 192 A C 0.017 177.769 177.584 0.279 0.000 1.035 192 A CA 0.371 52.538 52.037 0.217 0.000 0.777 192 A CB 0.039 19.108 19.000 0.115 0.000 0.942 192 A HN 0.803 nan 8.150 nan 0.000 0.516 193 R N 3.274 123.834 120.500 0.099 0.000 2.484 193 R HA 0.166 4.506 4.340 -0.000 0.000 0.293 193 R C -2.371 173.839 176.300 -0.151 0.000 1.023 193 R CA -1.014 54.900 56.100 -0.309 0.000 1.037 193 R CB -0.219 29.746 30.300 -0.558 0.000 0.951 193 R HN 0.488 nan 8.270 nan 0.000 0.418 194 P HA -0.018 nan 4.420 nan 0.000 0.269 194 P C -0.507 176.738 177.300 -0.091 0.000 1.215 194 P CA -0.218 62.848 63.100 -0.056 0.000 0.780 194 P CB 0.729 32.414 31.700 -0.025 0.000 0.898 195 V N -0.481 119.400 119.914 -0.055 0.000 3.158 195 V HA 0.400 4.519 4.120 -0.000 0.000 0.311 195 V C 1.023 177.094 176.094 -0.038 0.000 1.181 195 V CA -0.584 61.681 62.300 -0.058 0.000 1.054 195 V CB 1.654 33.446 31.823 -0.052 0.000 1.085 195 V HN 0.476 nan 8.190 nan 0.000 0.446 196 Q N 0.216 119.994 119.800 -0.037 0.000 2.269 196 Q HA 0.286 4.626 4.340 -0.000 0.000 0.201 196 Q C 0.778 176.768 176.000 -0.017 0.000 0.946 196 Q CA 0.893 56.681 55.803 -0.026 0.000 0.877 196 Q CB 0.387 29.108 28.738 -0.028 0.000 0.963 196 Q HN 0.739 nan 8.270 nan 0.000 0.472 197 R N -0.261 120.228 120.500 -0.018 0.000 3.737 197 R HA 0.136 4.476 4.340 -0.000 0.000 0.240 197 R C -2.222 174.072 176.300 -0.010 0.000 1.044 197 R CA -0.580 55.514 56.100 -0.010 0.000 1.164 197 R CB 0.721 31.016 30.300 -0.008 0.000 1.244 197 R HN -0.155 nan 8.270 nan 0.000 0.537 198 K N 4.784 125.181 120.400 -0.005 0.000 2.234 198 K HA 0.461 4.781 4.320 -0.000 0.000 0.277 198 K C -0.982 175.619 176.600 0.003 0.000 1.038 198 K CA -0.365 55.920 56.287 -0.004 0.000 0.888 198 K CB 0.863 33.361 32.500 -0.003 0.000 1.091 198 K HN 0.480 nan 8.250 nan 0.000 0.467 199 L N 2.869 124.094 121.223 0.004 0.000 2.352 199 L HA 0.399 4.739 4.340 -0.000 0.000 0.269 199 L C -0.084 176.798 176.870 0.020 0.000 1.034 199 L CA -1.251 53.596 54.840 0.011 0.000 0.806 199 L CB 1.291 43.355 42.059 0.009 0.000 1.244 199 L HN 0.649 nan 8.230 nan 0.000 0.447 200 D N 2.242 122.657 120.400 0.025 0.000 2.399 200 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 200 D C -1.645 174.681 176.300 0.044 0.000 1.133 200 D CA -1.337 52.687 54.000 0.039 0.000 0.890 200 D CB 0.385 41.207 40.800 0.037 0.000 1.201 200 D HN 0.333 nan 8.370 nan 0.000 0.432 201 P HA -0.072 nan 4.420 nan 0.000 0.274 201 P C 0.165 177.488 177.300 0.039 0.000 1.370 201 P CA 0.231 63.389 63.100 0.097 0.000 0.760 201 P CB -0.643 31.252 31.700 0.324 0.000 1.308 202 N N -0.958 117.750 118.700 0.014 0.000 2.482 202 N HA 0.017 4.756 4.740 -0.000 0.000 0.220 202 N C -0.537 174.920 175.510 -0.088 0.000 1.255 202 N CA -0.234 52.807 53.050 -0.015 0.000 0.850 202 N CB -0.214 38.288 38.487 0.026 0.000 1.127 202 N HN -0.130 nan 8.380 nan 0.000 0.475 203 T N 0.969 115.416 114.554 -0.178 0.000 2.916 203 T HA 0.385 4.735 4.350 -0.000 0.000 0.305 203 T C -2.896 171.536 174.700 -0.447 0.000 1.119 203 T CA -1.398 60.474 62.100 -0.380 0.000 1.008 203 T CB 2.412 71.136 68.868 -0.241 0.000 1.129 203 T HN -0.010 nan 8.240 nan 0.000 0.480 204 P HA 0.391 nan 4.420 nan 0.000 0.279 204 P C -1.126 176.028 177.300 -0.244 0.000 1.239 204 P CA -0.527 62.287 63.100 -0.476 0.000 0.789 204 P CB 0.340 31.614 31.700 -0.711 0.000 0.933 205 F N 3.559 123.389 119.950 -0.200 0.000 2.390 205 F HA 0.317 4.843 4.527 -0.000 0.000 0.361 205 F C -0.234 175.545 175.800 -0.035 0.000 1.124 205 F CA -0.428 57.513 58.000 -0.097 0.000 1.149 205 F CB 0.223 39.193 39.000 -0.051 0.000 1.160 205 F HN 0.074 nan 8.300 nan 0.000 0.501 206 L N 6.864 127.890 121.223 -0.329 0.000 2.283 206 L HA 0.203 4.543 4.340 -0.000 0.000 0.287 206 L C 1.028 177.840 176.870 -0.096 0.000 1.073 206 L CA -0.138 54.618 54.840 -0.140 0.000 0.822 206 L CB 1.141 43.142 42.059 -0.096 0.000 1.186 206 L HN 0.679 nan 8.230 nan 0.000 0.436 207 T N 1.251 115.847 114.554 0.070 0.000 3.040 207 T HA 0.176 4.526 4.350 -0.000 0.000 0.252 207 T C 1.356 176.131 174.700 0.126 0.000 1.064 207 T CA 0.978 63.165 62.100 0.144 0.000 1.110 207 T CB 0.224 69.173 68.868 0.136 0.000 0.921 207 T HN 0.987 nan 8.240 nan 0.000 0.480 208 G N 1.120 109.952 108.800 0.054 0.000 2.313 208 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 208 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 208 G C 0.167 174.924 174.900 -0.239 0.000 1.023 208 G CA -0.082 45.017 45.100 -0.001 0.000 0.626 208 G HN 0.468 nan 8.290 nan 0.000 0.503 209 M N 1.788 121.274 119.600 -0.189 0.000 2.143 209 M HA 0.423 4.903 4.480 -0.000 0.000 0.348 209 M C 1.642 177.778 176.300 -0.273 0.000 1.375 209 M CA -0.376 54.770 55.300 -0.256 0.000 1.124 209 M CB 0.951 33.418 32.600 -0.222 0.000 1.669 209 M HN 0.276 nan 8.290 nan 0.000 0.469 210 R N 2.769 123.047 120.500 -0.369 0.000 2.136 210 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 210 R C 1.977 178.144 176.300 -0.220 0.000 1.131 210 R CA 2.047 57.904 56.100 -0.406 0.000 0.937 210 R CB -0.750 29.035 30.300 -0.859 0.000 0.863 210 R HN 0.785 nan 8.270 nan 0.000 0.435 211 I N -0.272 120.200 120.570 -0.163 0.000 2.335 211 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 211 I C 1.814 177.989 176.117 0.096 0.000 1.129 211 I CA 1.865 63.189 61.300 0.041 0.000 1.402 211 I CB -0.877 37.264 38.000 0.235 0.000 1.069 211 I HN 0.139 nan 8.210 nan 0.000 0.424 212 L N 0.328 121.506 121.223 -0.075 0.000 2.249 212 L HA 0.066 4.406 4.340 -0.000 0.000 0.207 212 L C 2.183 179.066 176.870 0.022 0.000 1.090 212 L CA 0.525 55.275 54.840 -0.151 0.000 0.802 212 L CB -0.773 40.763 42.059 -0.872 0.000 0.947 212 L HN 0.066 nan 8.230 nan 0.000 0.453 213 D N 0.519 120.903 120.400 -0.026 0.000 2.103 213 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 213 D C 2.378 178.745 176.300 0.112 0.000 0.978 213 D CA 1.233 55.260 54.000 0.044 0.000 0.829 213 D CB 0.100 40.883 40.800 -0.027 0.000 0.981 213 D HN 0.097 nan 8.370 nan 0.000 0.464 214 V N 0.449 120.411 119.914 0.081 0.000 2.426 214 V HA -0.042 4.078 4.120 -0.000 0.000 0.242 214 V C 2.476 178.568 176.094 -0.004 0.000 1.036 214 V CA 0.807 63.171 62.300 0.107 0.000 1.044 214 V CB -0.052 31.867 31.823 0.160 0.000 0.688 214 V HN 0.078 nan 8.190 nan 0.000 0.462 215 L N -1.382 119.753 121.223 -0.146 0.000 2.130 215 L HA 0.131 4.471 4.340 -0.000 0.000 0.200 215 L C 0.953 177.482 176.870 -0.568 0.000 1.075 215 L CA 1.264 55.784 54.840 -0.533 0.000 0.768 215 L CB 0.056 41.531 42.059 -0.973 0.000 0.933 215 L HN 0.322 nan 8.230 nan 0.000 0.451 216 F N -0.426 119.689 119.950 0.275 0.000 2.831 216 F HA 0.337 4.864 4.527 -0.000 0.000 0.355 216 F C -2.202 173.938 175.800 0.566 0.000 1.341 216 F CA -2.432 55.824 58.000 0.426 0.000 1.201 216 F CB -0.655 38.648 39.000 0.505 0.000 1.058 216 F HN -0.106 nan 8.300 nan 0.000 0.514 217 P HA 0.085 nan 4.420 nan 0.000 0.269 217 P C -0.289 177.277 177.300 0.444 0.000 1.215 217 P CA 0.222 63.600 63.100 0.464 0.000 0.780 217 P CB 1.935 33.859 31.700 0.373 0.000 0.898 218 V N -1.473 118.611 119.914 0.282 0.000 2.555 218 V HA 0.749 4.869 4.120 -0.000 0.000 0.302 218 V C 0.308 176.201 176.094 -0.334 0.000 1.038 218 V CA -1.468 60.698 62.300 -0.223 0.000 0.887 218 V CB 0.880 32.555 31.823 -0.248 0.000 0.991 218 V HN 0.722 nan 8.190 nan 0.000 0.434 219 A N 4.462 126.797 122.820 -0.808 0.000 2.448 219 A HA 0.529 4.849 4.320 -0.000 0.000 0.239 219 A C 0.351 177.788 177.584 -0.243 0.000 1.080 219 A CA -0.375 51.408 52.037 -0.424 0.000 0.779 219 A CB -0.060 18.738 19.000 -0.337 0.000 1.026 219 A HN 1.221 nan 8.150 nan 0.000 0.499 220 M N 2.290 121.842 119.600 -0.080 0.000 2.474 220 M HA 0.361 4.841 4.480 -0.000 0.000 0.352 220 M C 1.240 177.528 176.300 -0.019 0.000 1.690 220 M CA 1.405 56.739 55.300 0.056 0.000 1.112 220 M CB -1.118 31.486 32.600 0.007 0.000 2.062 220 M HN 1.836 nan 8.290 nan 0.000 0.461 221 G N 3.010 111.792 108.800 -0.031 0.000 2.157 221 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.248 221 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.248 221 G C 0.438 175.265 174.900 -0.123 0.000 0.979 221 G CA 0.062 45.120 45.100 -0.071 0.000 0.650 221 G HN 1.186 nan 8.290 nan 0.000 0.529 222 G N -0.566 108.083 108.800 -0.252 0.000 2.611 222 G HA2 0.676 4.636 3.960 -0.000 0.000 0.273 222 G HA3 0.676 4.636 3.960 -0.000 0.000 0.273 222 G C 0.494 175.298 174.900 -0.160 0.000 1.305 222 G CA 1.187 46.111 45.100 -0.295 0.000 1.010 222 G HN 1.507 nan 8.290 nan 0.000 0.509 223 T N -4.045 110.535 114.554 0.043 0.000 2.888 223 T HA 0.809 5.159 4.350 -0.000 0.000 0.288 223 T C -0.518 174.159 174.700 -0.039 0.000 1.063 223 T CA -0.161 61.935 62.100 -0.007 0.000 1.010 223 T CB 2.017 70.935 68.868 0.083 0.000 1.214 223 T HN 2.043 nan 8.240 nan 0.000 0.533 224 A N -0.184 122.554 122.820 -0.137 0.000 2.583 224 A HA 0.791 5.111 4.320 -0.000 0.000 0.298 224 A C -0.858 176.587 177.584 -0.232 0.000 1.055 224 A CA -0.531 51.294 52.037 -0.353 0.000 0.714 224 A CB 0.579 19.056 19.000 -0.871 0.000 1.277 224 A HN 1.728 nan 8.150 nan 0.000 0.406 225 A N 1.274 123.992 122.820 -0.171 0.000 2.337 225 A HA 0.931 5.251 4.320 -0.000 0.000 0.331 225 A C -0.273 177.252 177.584 -0.099 0.000 1.137 225 A CA -0.214 51.851 52.037 0.046 0.000 0.807 225 A CB 0.626 19.785 19.000 0.264 0.000 1.250 225 A HN 2.099 nan 8.150 nan 0.000 0.468 226 I N -0.841 119.723 120.570 -0.010 0.000 2.582 226 I HA 0.656 4.826 4.170 -0.000 0.000 0.292 226 I C -2.597 173.551 176.117 0.052 0.000 1.066 226 I CA -2.501 58.723 61.300 -0.127 0.000 1.053 226 I CB 3.074 41.087 38.000 0.022 0.000 1.241 226 I HN 0.309 nan 8.210 nan 0.000 0.421 227 P HA 0.138 nan 4.420 nan 0.000 0.258 227 P C 0.916 178.290 177.300 0.122 0.000 1.416 227 P CA 0.071 63.276 63.100 0.175 0.000 0.927 227 P CB 0.084 31.933 31.700 0.247 0.000 1.444 228 G N 3.490 112.350 108.800 0.100 0.000 1.969 228 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.238 228 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.238 228 G C -1.972 173.006 174.900 0.129 0.000 0.690 228 G CA -0.342 44.825 45.100 0.111 0.000 0.979 228 G HN 0.322 nan 8.290 nan 0.000 0.375 229 P HA 0.374 nan 4.420 nan 0.000 0.284 229 P C 0.192 177.596 177.300 0.174 0.000 1.258 229 P CA -0.969 62.216 63.100 0.142 0.000 0.824 229 P CB 1.145 32.908 31.700 0.104 0.000 1.038 230 F N 1.021 121.006 119.950 0.059 0.000 2.586 230 F HA 0.238 4.765 4.527 -0.000 0.000 0.344 230 F C 1.839 177.676 175.800 0.061 0.000 1.188 230 F CA 2.434 60.472 58.000 0.064 0.000 1.359 230 F CB 0.036 39.069 39.000 0.054 0.000 1.129 230 F HN 0.751 nan 8.300 nan 0.000 0.609 231 G N 1.536 110.079 108.800 -0.428 0.000 2.579 231 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.222 231 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.222 231 G C 0.436 175.283 174.900 -0.089 0.000 1.201 231 G CA 0.149 45.145 45.100 -0.174 0.000 0.710 231 G HN 0.924 nan 8.290 nan 0.000 0.516 232 S N 1.438 117.107 115.700 -0.051 0.000 2.580 232 S HA 0.505 4.975 4.470 -0.000 0.000 0.274 232 S C 1.108 175.734 174.600 0.044 0.000 1.329 232 S CA 0.815 59.009 58.200 -0.010 0.000 1.036 232 S CB 1.001 64.192 63.200 -0.015 0.000 0.919 232 S HN 1.632 nan 8.310 nan 0.000 0.515 233 G N 3.810 112.724 108.800 0.190 0.000 3.008 233 G HA2 0.113 4.073 3.960 -0.000 0.000 0.272 233 G HA3 0.113 4.073 3.960 -0.000 0.000 0.272 233 G C 0.836 175.813 174.900 0.128 0.000 0.764 233 G CA -0.378 44.840 45.100 0.198 0.000 2.029 233 G HN 0.823 nan 8.290 nan 0.000 0.587 234 K N 1.073 121.529 120.400 0.094 0.000 1.969 234 K HA -0.162 4.158 4.320 -0.000 0.000 0.216 234 K C 2.627 179.304 176.600 0.128 0.000 1.048 234 K CA 1.641 57.995 56.287 0.112 0.000 0.948 234 K CB -0.219 32.355 32.500 0.124 0.000 0.726 234 K HN 0.408 nan 8.250 nan 0.000 0.442 235 S N 0.615 116.390 115.700 0.126 0.000 2.433 235 S HA -0.264 4.206 4.470 -0.000 0.000 0.270 235 S C 2.048 176.705 174.600 0.095 0.000 1.068 235 S CA 2.215 60.489 58.200 0.122 0.000 1.375 235 S CB -0.966 62.292 63.200 0.097 0.000 1.255 235 S HN 0.234 nan 8.310 nan 0.000 0.442 236 V N 1.703 121.658 119.914 0.069 0.000 2.236 236 V HA -0.324 3.796 4.120 -0.000 0.000 0.255 236 V C 2.540 178.657 176.094 0.038 0.000 1.068 236 V CA 2.601 64.923 62.300 0.037 0.000 1.044 236 V CB -1.782 30.032 31.823 -0.014 0.000 0.653 236 V HN 0.609 nan 8.190 nan 0.000 0.448 237 T N -0.931 113.658 114.554 0.059 0.000 2.684 237 T HA -0.291 4.059 4.350 -0.000 0.000 0.267 237 T C 1.940 176.699 174.700 0.098 0.000 1.036 237 T CA 1.985 64.122 62.100 0.062 0.000 1.148 237 T CB -0.305 68.606 68.868 0.071 0.000 0.863 237 T HN 0.583 nan 8.240 nan 0.000 0.436 238 Q N 0.495 120.377 119.800 0.136 0.000 2.050 238 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 238 Q C 2.636 178.734 176.000 0.164 0.000 0.980 238 Q CA 1.352 57.271 55.803 0.194 0.000 0.840 238 Q CB -0.185 28.702 28.738 0.250 0.000 0.898 238 Q HN 0.598 nan 8.270 nan 0.000 0.424 239 Q N -0.169 119.680 119.800 0.081 0.000 2.084 239 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 239 Q C 2.267 178.268 176.000 0.001 0.000 0.978 239 Q CA 1.333 57.105 55.803 -0.051 0.000 0.844 239 Q CB -0.143 28.495 28.738 -0.167 0.000 0.898 239 Q HN 0.177 nan 8.270 nan 0.000 0.426 240 S N 0.199 115.947 115.700 0.080 0.000 2.402 240 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 240 S C 1.733 176.481 174.600 0.246 0.000 1.030 240 S CA 0.908 59.230 58.200 0.202 0.000 1.003 240 S CB -0.132 63.161 63.200 0.156 0.000 0.813 240 S HN 0.292 nan 8.310 nan 0.000 0.477 241 L N 0.386 121.724 121.223 0.193 0.000 2.179 241 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 241 L C 2.820 179.819 176.870 0.215 0.000 1.096 241 L CA 1.193 56.177 54.840 0.240 0.000 0.779 241 L CB -1.084 41.143 42.059 0.281 0.000 0.922 241 L HN 0.333 nan 8.230 nan 0.000 0.443 242 A N 0.321 123.233 122.820 0.154 0.000 1.930 242 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 242 A C 2.437 180.014 177.584 -0.013 0.000 1.175 242 A CA 1.563 53.665 52.037 0.109 0.000 0.627 242 A CB -0.286 18.776 19.000 0.104 0.000 0.815 242 A HN 0.267 nan 8.150 nan 0.000 0.443 243 K N -2.061 118.276 120.400 -0.106 0.000 2.076 243 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 243 K C 1.093 177.418 176.600 -0.458 0.000 1.051 243 K CA 1.373 57.428 56.287 -0.387 0.000 0.949 243 K CB -0.115 32.057 32.500 -0.546 0.000 0.726 243 K HN 0.706 nan 8.250 nan 0.000 0.443 244 W N 0.872 122.150 121.300 -0.037 0.000 3.008 244 W HA 0.145 4.804 4.660 -0.000 0.000 0.355 244 W C 0.337 176.823 176.519 -0.055 0.000 1.095 244 W CA -0.609 56.696 57.345 -0.066 0.000 1.738 244 W CB 0.410 29.878 29.460 0.012 0.000 1.091 244 W HN -0.104 nan 8.180 nan 0.000 0.574 245 S N 1.659 117.437 115.700 0.131 0.000 2.592 245 S HA 0.045 4.515 4.470 -0.000 0.000 0.271 245 S C 0.631 175.131 174.600 -0.167 0.000 1.326 245 S CA -0.683 57.503 58.200 -0.023 0.000 1.024 245 S CB 0.607 63.858 63.200 0.085 0.000 0.921 245 S HN 0.264 nan 8.310 nan 0.000 0.527 246 N N 1.258 119.741 118.700 -0.362 0.000 3.167 246 N HA 0.303 5.043 4.740 -0.000 0.000 0.318 246 N C -0.430 174.902 175.510 -0.296 0.000 1.268 246 N CA -0.129 52.743 53.050 -0.296 0.000 1.197 246 N CB -0.816 37.503 38.487 -0.280 0.000 1.464 246 N HN 0.778 nan 8.380 nan 0.000 0.555 247 A N -0.160 122.572 122.820 -0.148 0.000 2.386 247 A HA 0.441 4.761 4.320 -0.000 0.000 0.311 247 A C 0.199 177.793 177.584 0.017 0.000 1.068 247 A CA -0.840 51.193 52.037 -0.006 0.000 0.743 247 A CB 1.312 20.405 19.000 0.156 0.000 1.258 247 A HN 0.263 nan 8.150 nan 0.000 0.429 248 D N 0.147 120.543 120.400 -0.008 0.000 2.271 248 D HA 0.143 4.783 4.640 -0.000 0.000 0.206 248 D C 0.068 176.367 176.300 -0.002 0.000 0.967 248 D CA 1.382 55.325 54.000 -0.096 0.000 0.867 248 D CB 0.627 41.068 40.800 -0.599 0.000 0.960 248 D HN 0.246 nan 8.370 nan 0.000 0.509 249 V N 0.684 120.604 119.914 0.010 0.000 3.087 249 V HA 0.315 4.434 4.120 -0.000 0.000 0.306 249 V C -0.637 175.487 176.094 0.050 0.000 1.187 249 V CA -0.854 61.441 62.300 -0.007 0.000 0.999 249 V CB 3.191 34.900 31.823 -0.189 0.000 1.049 249 V HN -0.275 nan 8.190 nan 0.000 0.431 250 V N 3.243 123.193 119.914 0.060 0.000 2.443 250 V HA 0.487 4.607 4.120 -0.000 0.000 0.293 250 V C -0.509 175.662 176.094 0.129 0.000 1.021 250 V CA -0.629 61.749 62.300 0.130 0.000 0.848 250 V CB 1.879 33.815 31.823 0.189 0.000 0.998 250 V HN 0.593 nan 8.190 nan 0.000 0.424 251 V N 5.106 125.102 119.914 0.136 0.000 2.370 251 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 251 V C -0.715 175.483 176.094 0.175 0.000 1.029 251 V CA -0.610 61.783 62.300 0.155 0.000 0.870 251 V CB 1.285 33.196 31.823 0.146 0.000 0.984 251 V HN 0.832 nan 8.190 nan 0.000 0.451 252 Y N 5.311 125.645 120.300 0.057 0.000 2.587 252 Y HA 0.598 5.148 4.550 -0.000 0.000 0.328 252 Y C -0.114 175.784 175.900 -0.005 0.000 0.980 252 Y CA -0.712 57.401 58.100 0.022 0.000 1.272 252 Y CB 1.541 39.977 38.460 -0.040 0.000 1.094 252 Y HN 0.526 nan 8.280 nan 0.000 0.503 253 V N 6.248 126.031 119.914 -0.217 0.000 2.461 253 V HA 0.804 4.924 4.120 -0.000 0.000 0.275 253 V C -0.071 175.781 176.094 -0.403 0.000 1.047 253 V CA 0.406 62.599 62.300 -0.179 0.000 0.955 253 V CB 0.458 32.191 31.823 -0.149 0.000 0.988 253 V HN 0.924 nan 8.190 nan 0.000 0.471 254 G N 4.673 113.424 108.800 -0.081 0.000 2.744 254 G HA2 0.610 4.569 3.960 -0.000 0.000 0.286 254 G HA3 0.610 4.569 3.960 -0.000 0.000 0.286 254 G C -0.740 174.212 174.900 0.087 0.000 1.497 254 G CA 0.164 45.269 45.100 0.008 0.000 1.070 254 G HN 1.366 nan 8.290 nan 0.000 0.539 255 S N 0.810 116.543 115.700 0.056 0.000 2.651 255 S HA 0.777 5.247 4.470 -0.000 0.000 0.279 255 S C 0.585 175.234 174.600 0.082 0.000 1.148 255 S CA 0.446 58.692 58.200 0.077 0.000 0.837 255 S CB 1.567 64.812 63.200 0.075 0.000 1.138 255 S HN 2.472 nan 8.310 nan 0.000 0.478 256 G N 1.245 110.087 108.800 0.069 0.000 2.324 256 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.292 256 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.292 256 G C -0.462 174.480 174.900 0.069 0.000 1.079 256 G CA 0.248 45.384 45.100 0.060 0.000 1.026 256 G HN 0.731 nan 8.290 nan 0.000 0.506 257 E N -0.435 119.809 120.200 0.073 0.000 2.235 257 E HA 0.451 4.801 4.350 -0.000 0.000 0.265 257 E C 0.783 177.422 176.600 0.065 0.000 0.940 257 E CA -1.097 55.351 56.400 0.080 0.000 0.819 257 E CB 0.956 30.717 29.700 0.102 0.000 1.206 257 E HN 0.467 nan 8.360 nan 0.000 0.409 258 R N 0.328 120.867 120.500 0.065 0.000 2.484 258 R HA 0.088 4.428 4.340 -0.000 0.000 0.293 258 R C 1.551 177.883 176.300 0.052 0.000 1.023 258 R CA 0.540 56.671 56.100 0.052 0.000 1.037 258 R CB 0.015 30.345 30.300 0.050 0.000 0.951 258 R HN 0.747 nan 8.270 nan 0.000 0.418 259 G N 3.049 111.875 108.800 0.043 0.000 2.545 259 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.222 259 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.222 259 G C 0.961 175.882 174.900 0.036 0.000 1.126 259 G CA 0.870 45.992 45.100 0.037 0.000 0.754 259 G HN 0.543 nan 8.290 nan 0.000 0.583 260 N N 0.003 118.727 118.700 0.040 0.000 2.395 260 N HA 0.032 4.772 4.740 -0.000 0.000 0.175 260 N C 1.936 177.482 175.510 0.059 0.000 1.029 260 N CA 0.860 53.936 53.050 0.043 0.000 0.897 260 N CB -0.156 38.356 38.487 0.041 0.000 0.991 260 N HN 0.460 nan 8.380 nan 0.000 0.441 261 E N 0.667 120.910 120.200 0.071 0.000 2.058 261 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 261 E C 1.809 178.454 176.600 0.076 0.000 0.997 261 E CA 1.143 57.598 56.400 0.092 0.000 0.801 261 E CB -0.028 29.734 29.700 0.103 0.000 0.746 261 E HN 0.081 nan 8.360 nan 0.000 0.450 262 M N -0.402 119.235 119.600 0.062 0.000 2.132 262 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 262 M C 2.163 178.471 176.300 0.013 0.000 1.065 262 M CA 1.734 57.060 55.300 0.044 0.000 1.122 262 M CB -0.501 32.128 32.600 0.048 0.000 1.365 262 M HN 0.019 nan 8.290 nan 0.000 0.411 263 T N 0.282 114.849 114.554 0.020 0.000 2.867 263 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 263 T C 0.965 175.676 174.700 0.018 0.000 1.057 263 T CA 1.527 63.633 62.100 0.010 0.000 1.136 263 T CB -0.436 68.439 68.868 0.012 0.000 0.874 263 T HN 0.390 nan 8.240 nan 0.000 0.466 264 D N 0.381 120.802 120.400 0.035 0.000 2.389 264 D HA -0.043 4.597 4.640 -0.000 0.000 0.221 264 D C 1.585 177.922 176.300 0.062 0.000 0.974 264 D CA 0.364 54.395 54.000 0.052 0.000 0.923 264 D CB 0.041 40.885 40.800 0.072 0.000 0.892 264 D HN 0.268 nan 8.370 nan 0.000 0.518 265 V N -0.542 119.380 119.914 0.012 0.000 3.379 265 V HA 0.047 4.167 4.120 -0.000 0.000 0.249 265 V C 1.805 177.863 176.094 -0.060 0.000 1.184 265 V CA 0.384 62.659 62.300 -0.041 0.000 1.106 265 V CB 0.234 31.867 31.823 -0.317 0.000 0.826 265 V HN 0.152 nan 8.190 nan 0.000 0.465 266 L N -0.917 120.275 121.223 -0.052 0.000 2.591 266 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 266 L C 1.728 178.605 176.870 0.012 0.000 1.133 266 L CA 0.342 55.157 54.840 -0.043 0.000 0.880 266 L CB -0.063 41.969 42.059 -0.045 0.000 1.033 266 L HN 0.141 nan 8.230 nan 0.000 0.450 267 V N -1.215 118.721 119.914 0.037 0.000 3.090 267 V HA 0.019 4.138 4.120 -0.000 0.000 0.237 267 V C 2.067 178.193 176.094 0.053 0.000 1.209 267 V CA 0.589 62.910 62.300 0.035 0.000 1.209 267 V CB 0.692 32.527 31.823 0.020 0.000 0.971 267 V HN 0.247 nan 8.190 nan 0.000 0.477 268 E N 0.077 120.331 120.200 0.089 0.000 2.015 268 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 268 E C 2.071 178.716 176.600 0.075 0.000 0.991 268 E CA 1.621 58.064 56.400 0.072 0.000 0.802 268 E CB -0.193 29.555 29.700 0.080 0.000 0.759 268 E HN 0.469 nan 8.360 nan 0.000 0.447 269 F N 0.544 120.449 119.950 -0.074 0.000 2.063 269 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 269 F C -0.698 175.055 175.800 -0.078 0.000 1.109 269 F CA 1.251 59.203 58.000 -0.080 0.000 1.212 269 F CB -1.673 37.272 39.000 -0.091 0.000 0.973 269 F HN 0.115 nan 8.300 nan 0.000 0.480 270 P HA -0.137 nan 4.420 nan 0.000 0.229 270 P C 0.972 178.249 177.300 -0.038 0.000 1.150 270 P CA 1.302 64.418 63.100 0.026 0.000 0.765 270 P CB 0.001 31.717 31.700 0.027 0.000 0.783 271 E N -1.476 118.694 120.200 -0.050 0.000 2.473 271 E HA 0.145 4.495 4.350 -0.000 0.000 0.204 271 E C 0.838 177.365 176.600 -0.122 0.000 0.994 271 E CA -0.001 56.351 56.400 -0.081 0.000 0.945 271 E CB -0.181 29.481 29.700 -0.063 0.000 0.990 271 E HN 0.308 nan 8.360 nan 0.000 0.493 272 L N 1.276 122.403 121.223 -0.159 0.000 2.473 272 L HA 0.143 4.483 4.340 -0.000 0.000 0.268 272 L C 0.482 177.226 176.870 -0.211 0.000 1.215 272 L CA 0.300 55.017 54.840 -0.205 0.000 0.823 272 L CB 0.250 42.129 42.059 -0.300 0.000 1.099 272 L HN -0.192 nan 8.230 nan 0.000 0.483 273 T N -0.194 114.225 114.554 -0.225 0.000 2.823 273 T HA 0.150 4.500 4.350 -0.000 0.000 0.279 273 T C -0.508 173.996 174.700 -0.326 0.000 0.998 273 T CA -0.533 61.418 62.100 -0.247 0.000 0.994 273 T CB 1.488 70.234 68.868 -0.203 0.000 0.960 273 T HN 0.436 nan 8.240 nan 0.000 0.448 274 D N 3.805 124.014 120.400 -0.318 0.000 2.338 274 D HA 0.154 4.794 4.640 -0.000 0.000 0.255 274 D C -1.113 174.955 176.300 -0.386 0.000 1.237 274 D CA -2.225 51.563 54.000 -0.353 0.000 0.883 274 D CB 1.339 41.967 40.800 -0.287 0.000 1.087 274 D HN 0.135 nan 8.370 nan 0.000 0.485 275 P HA -0.134 nan 4.420 nan 0.000 0.220 275 P C 0.783 177.888 177.300 -0.325 0.000 1.148 275 P CA 0.951 63.721 63.100 -0.550 0.000 0.803 275 P CB 0.492 31.501 31.700 -1.152 0.000 0.782 276 K N -0.305 119.913 120.400 -0.304 0.000 2.155 276 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 276 K C 2.147 178.639 176.600 -0.180 0.000 1.052 276 K CA 1.967 58.127 56.287 -0.211 0.000 0.948 276 K CB -0.418 31.958 32.500 -0.206 0.000 0.728 276 K HN 0.317 nan 8.250 nan 0.000 0.448 277 T N -5.018 109.417 114.554 -0.198 0.000 3.026 277 T HA 0.258 4.608 4.350 -0.000 0.000 0.245 277 T C 1.556 176.169 174.700 -0.145 0.000 1.004 277 T CA 0.494 62.495 62.100 -0.166 0.000 1.069 277 T CB 0.817 69.576 68.868 -0.181 0.000 1.005 277 T HN 0.252 nan 8.240 nan 0.000 0.472 278 G N 0.686 109.384 108.800 -0.169 0.000 2.194 278 G HA2 0.057 4.017 3.960 -0.000 0.000 0.236 278 G HA3 0.057 4.017 3.960 -0.000 0.000 0.236 278 G C 0.432 175.235 174.900 -0.161 0.000 0.987 278 G CA -0.038 44.974 45.100 -0.147 0.000 0.635 278 G HN 1.080 nan 8.290 nan 0.000 0.520 279 G N -0.313 108.371 108.800 -0.195 0.000 2.820 279 G HA2 0.770 4.730 3.960 -0.000 0.000 0.291 279 G HA3 0.770 4.730 3.960 -0.000 0.000 0.291 279 G C -2.754 171.949 174.900 -0.327 0.000 1.323 279 G CA -1.168 43.786 45.100 -0.243 0.000 1.055 279 G HN 0.147 nan 8.290 nan 0.000 0.520 280 P HA 0.086 nan 4.420 nan 0.000 0.268 280 P C 0.691 177.766 177.300 -0.375 0.000 1.208 280 P CA -0.437 62.396 63.100 -0.445 0.000 0.777 280 P CB 0.926 32.247 31.700 -0.632 0.000 0.875 281 L N 1.991 123.061 121.223 -0.255 0.000 2.341 281 L HA -0.000 4.339 4.340 -0.000 0.000 0.214 281 L C 1.856 178.683 176.870 -0.072 0.000 1.115 281 L CA 1.536 56.271 54.840 -0.175 0.000 0.820 281 L CB -0.820 41.130 42.059 -0.182 0.000 0.944 281 L HN 0.291 nan 8.230 nan 0.000 0.452 282 M N -0.854 118.710 119.600 -0.060 0.000 2.267 282 M HA -0.226 4.254 4.480 -0.000 0.000 0.263 282 M C 1.738 178.068 176.300 0.051 0.000 1.063 282 M CA 1.516 56.846 55.300 0.049 0.000 1.090 282 M CB -1.195 31.442 32.600 0.062 0.000 1.392 282 M HN 0.433 nan 8.290 nan 0.000 0.422 283 H N -0.072 118.805 119.070 -0.320 0.000 2.553 283 H HA 0.035 4.591 4.556 -0.000 0.000 0.269 283 H C 0.459 175.715 175.328 -0.121 0.000 1.011 283 H CA 0.176 55.874 56.048 -0.583 0.000 1.150 283 H CB 0.115 29.351 29.762 -0.875 0.000 1.339 283 H HN 0.413 nan 8.280 nan 0.000 0.604 284 R N -0.587 119.969 120.500 0.094 0.000 2.522 284 R HA 0.226 4.566 4.340 -0.000 0.000 0.418 284 R C -1.094 175.262 176.300 0.092 0.000 0.973 284 R CA -0.274 55.919 56.100 0.155 0.000 1.096 284 R CB 0.115 30.535 30.300 0.199 0.000 1.449 284 R HN -0.134 nan 8.270 nan 0.000 0.622 285 T N 0.622 115.238 114.554 0.102 0.000 2.933 285 T HA 0.405 4.755 4.350 -0.000 0.000 0.305 285 T C -0.677 174.105 174.700 0.136 0.000 1.092 285 T CA -0.555 61.615 62.100 0.116 0.000 1.008 285 T CB 2.715 71.690 68.868 0.178 0.000 1.102 285 T HN 0.019 nan 8.240 nan 0.000 0.469 286 V N 3.935 123.939 119.914 0.150 0.000 2.483 286 V HA 0.570 4.690 4.120 -0.000 0.000 0.295 286 V C -0.489 175.716 176.094 0.185 0.000 1.035 286 V CA -0.862 61.575 62.300 0.228 0.000 0.896 286 V CB 1.329 33.347 31.823 0.326 0.000 0.986 286 V HN 0.676 nan 8.190 nan 0.000 0.447 287 L N 5.436 126.748 121.223 0.148 0.000 2.325 287 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 287 L C -0.861 176.110 176.870 0.168 0.000 1.004 287 L CA -0.539 54.367 54.840 0.110 0.000 0.823 287 L CB 1.593 43.604 42.059 -0.081 0.000 1.236 287 L HN 0.421 nan 8.230 nan 0.000 0.415 288 I N 3.008 123.695 120.570 0.195 0.000 2.342 288 I HA 0.583 4.753 4.170 -0.000 0.000 0.291 288 I C 0.391 176.598 176.117 0.150 0.000 1.010 288 I CA 0.244 61.652 61.300 0.179 0.000 1.308 288 I CB 1.541 39.627 38.000 0.142 0.000 1.400 288 I HN 0.669 nan 8.210 nan 0.000 0.488 289 A N 5.533 128.424 122.820 0.118 0.000 2.386 289 A HA 0.872 5.192 4.320 -0.000 0.000 0.311 289 A C -0.793 176.840 177.584 0.082 0.000 1.068 289 A CA -0.570 51.525 52.037 0.097 0.000 0.743 289 A CB 1.048 20.078 19.000 0.049 0.000 1.258 289 A HN 0.774 nan 8.150 nan 0.000 0.429 290 N N -0.503 118.245 118.700 0.080 0.000 2.504 290 N HA 0.642 5.382 4.740 -0.000 0.000 0.268 290 N C -0.973 174.574 175.510 0.063 0.000 1.184 290 N CA -0.468 52.622 53.050 0.067 0.000 0.875 290 N CB 2.461 40.987 38.487 0.065 0.000 1.630 290 N HN 0.786 nan 8.380 nan 0.000 0.486 291 T N -1.867 112.718 114.554 0.052 0.000 2.930 291 T HA 0.396 4.746 4.350 -0.000 0.000 0.290 291 T C 0.883 175.608 174.700 0.041 0.000 1.052 291 T CA -0.644 61.485 62.100 0.048 0.000 1.017 291 T CB 1.537 70.431 68.868 0.044 0.000 1.137 291 T HN 0.302 nan 8.240 nan 0.000 0.511 292 S N 2.230 117.953 115.700 0.039 0.000 2.407 292 S HA -0.260 4.210 4.470 -0.000 0.000 0.244 292 S C 1.826 176.441 174.600 0.025 0.000 1.077 292 S CA 2.245 60.463 58.200 0.030 0.000 1.159 292 S CB -0.713 62.504 63.200 0.028 0.000 1.045 292 S HN 0.977 nan 8.310 nan 0.000 0.438 293 N N 0.508 119.226 118.700 0.030 0.000 2.280 293 N HA 0.119 4.858 4.740 -0.000 0.000 0.192 293 N C 0.086 175.616 175.510 0.033 0.000 1.109 293 N CA 0.035 53.103 53.050 0.029 0.000 0.855 293 N CB -0.385 38.123 38.487 0.035 0.000 0.974 293 N HN 0.399 nan 8.380 nan 0.000 0.482 294 M N 1.166 120.786 119.600 0.035 0.000 2.233 294 M HA 0.268 4.748 4.480 -0.000 0.000 0.350 294 M C -2.114 174.199 176.300 0.023 0.000 1.176 294 M CA -1.552 53.769 55.300 0.036 0.000 1.150 294 M CB 0.452 33.076 32.600 0.040 0.000 1.530 294 M HN -0.220 nan 8.290 nan 0.000 0.459 295 P HA -0.083 nan 4.420 nan 0.000 0.264 295 P C 0.665 177.953 177.300 -0.021 0.000 1.179 295 P CA -0.089 63.017 63.100 0.010 0.000 0.763 295 P CB 0.342 32.056 31.700 0.022 0.000 0.806 296 V N 3.374 123.274 119.914 -0.023 0.000 2.219 296 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 296 V C 2.425 178.466 176.094 -0.088 0.000 1.053 296 V CA 2.758 65.032 62.300 -0.043 0.000 1.009 296 V CB -1.923 29.883 31.823 -0.029 0.000 0.636 296 V HN 0.708 nan 8.190 nan 0.000 0.445 297 A N 0.081 122.812 122.820 -0.149 0.000 1.971 297 A HA -0.280 4.040 4.320 -0.000 0.000 0.222 297 A C 2.371 179.778 177.584 -0.296 0.000 1.182 297 A CA 2.875 54.712 52.037 -0.333 0.000 0.649 297 A CB -0.894 17.625 19.000 -0.802 0.000 0.818 297 A HN 0.712 nan 8.150 nan 0.000 0.458 298 A N -0.821 121.882 122.820 -0.196 0.000 1.897 298 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 298 A C 2.151 179.734 177.584 -0.003 0.000 1.181 298 A CA 1.337 53.320 52.037 -0.091 0.000 0.620 298 A CB -0.386 18.593 19.000 -0.035 0.000 0.821 298 A HN 0.518 nan 8.150 nan 0.000 0.443 299 R N -0.609 119.891 120.500 0.000 0.000 2.249 299 R HA -0.091 4.249 4.340 -0.000 0.000 0.230 299 R C 2.071 178.429 176.300 0.097 0.000 1.121 299 R CA 1.304 57.429 56.100 0.041 0.000 0.997 299 R CB -0.006 30.298 30.300 0.008 0.000 0.867 299 R HN 0.612 nan 8.270 nan 0.000 0.465 300 E N -0.113 120.128 120.200 0.068 0.000 2.132 300 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 300 E C 1.889 178.779 176.600 0.485 0.000 0.951 300 E CA 0.715 57.225 56.400 0.183 0.000 0.843 300 E CB 0.076 29.773 29.700 -0.006 0.000 0.807 300 E HN 0.232 nan 8.360 nan 0.000 0.467 301 A N 1.757 124.728 122.820 0.252 0.000 1.903 301 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 301 A C 2.297 180.046 177.584 0.274 0.000 1.191 301 A CA 2.955 55.163 52.037 0.285 0.000 0.638 301 A CB -1.156 17.897 19.000 0.089 0.000 0.823 301 A HN 0.474 nan 8.150 nan 0.000 0.451 302 S N 1.251 117.045 115.700 0.158 0.000 2.411 302 S HA -0.399 4.071 4.470 -0.000 0.000 0.293 302 S C 1.914 176.476 174.600 -0.062 0.000 1.146 302 S CA 2.802 61.040 58.200 0.064 0.000 1.337 302 S CB -1.681 61.557 63.200 0.064 0.000 1.258 302 S HN 1.379 nan 8.310 nan 0.000 0.453 303 I N -1.274 119.124 120.570 -0.287 0.000 2.567 303 I HA -0.073 4.097 4.170 -0.000 0.000 0.257 303 I C 2.181 178.002 176.117 -0.493 0.000 1.184 303 I CA 1.431 62.330 61.300 -0.669 0.000 1.451 303 I CB -0.583 36.468 38.000 -1.582 0.000 1.089 303 I HN 0.372 nan 8.210 nan 0.000 0.441 304 Y N 0.978 121.221 120.300 -0.094 0.000 2.201 304 Y HA -0.000 4.550 4.550 -0.000 0.000 0.292 304 Y C 2.746 178.677 175.900 0.051 0.000 1.119 304 Y CA 1.243 59.359 58.100 0.026 0.000 1.127 304 Y CB -1.019 37.471 38.460 0.050 0.000 1.019 304 Y HN -0.117 nan 8.280 nan 0.000 0.514 305 V N 0.267 120.294 119.914 0.189 0.000 2.278 305 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 305 V C 2.450 178.594 176.094 0.084 0.000 1.062 305 V CA 2.311 64.677 62.300 0.110 0.000 1.038 305 V CB -1.355 30.515 31.823 0.077 0.000 0.646 305 V HN 0.653 nan 8.190 nan 0.000 0.447 306 G N -1.586 107.247 108.800 0.056 0.000 2.422 306 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 306 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 306 G C 1.708 176.657 174.900 0.082 0.000 1.140 306 G CA 0.999 46.133 45.100 0.058 0.000 0.775 306 G HN 0.400 nan 8.290 nan 0.000 0.545 307 V N 0.805 120.773 119.914 0.090 0.000 2.488 307 V HA -0.089 4.031 4.120 -0.000 0.000 0.246 307 V C 3.030 179.180 176.094 0.094 0.000 1.046 307 V CA 2.634 64.992 62.300 0.096 0.000 1.053 307 V CB -0.503 31.392 31.823 0.119 0.000 0.679 307 V HN 0.408 nan 8.190 nan 0.000 0.458 308 T N 0.839 115.470 114.554 0.129 0.000 2.674 308 T HA -0.176 4.174 4.350 -0.000 0.000 0.265 308 T C 1.781 176.533 174.700 0.087 0.000 1.039 308 T CA 2.212 64.386 62.100 0.124 0.000 1.150 308 T CB -0.354 68.626 68.868 0.187 0.000 0.864 308 T HN 0.434 nan 8.240 nan 0.000 0.427 309 I N 1.598 122.226 120.570 0.097 0.000 2.151 309 I HA -0.265 3.904 4.170 -0.000 0.000 0.243 309 I C 2.988 179.247 176.117 0.236 0.000 1.080 309 I CA 1.389 62.774 61.300 0.142 0.000 1.339 309 I CB -0.591 37.511 38.000 0.169 0.000 1.039 309 I HN 0.223 nan 8.210 nan 0.000 0.409 310 A N 0.275 123.209 122.820 0.191 0.000 1.940 310 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 310 A C 2.210 179.865 177.584 0.117 0.000 1.176 310 A CA 1.889 54.035 52.037 0.182 0.000 0.631 310 A CB -0.618 18.441 19.000 0.098 0.000 0.814 310 A HN 0.490 nan 8.150 nan 0.000 0.446 311 E N -1.750 118.482 120.200 0.055 0.000 2.072 311 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 311 E C 1.872 178.436 176.600 -0.061 0.000 0.985 311 E CA 1.339 57.728 56.400 -0.019 0.000 0.801 311 E CB -0.332 29.341 29.700 -0.045 0.000 0.750 311 E HN 0.777 nan 8.360 nan 0.000 0.452 312 Y N 0.897 121.080 120.300 -0.195 0.000 2.053 312 Y HA -0.301 4.248 4.550 -0.000 0.000 0.277 312 Y C 1.891 177.556 175.900 -0.391 0.000 1.159 312 Y CA 1.677 59.582 58.100 -0.324 0.000 1.125 312 Y CB -0.606 37.606 38.460 -0.413 0.000 0.969 312 Y HN -0.053 nan 8.280 nan 0.000 0.492 313 F N 0.577 120.332 119.950 -0.325 0.000 2.161 313 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 313 F C 2.793 178.317 175.800 -0.460 0.000 1.089 313 F CA 1.985 59.700 58.000 -0.475 0.000 1.282 313 F CB -0.875 38.022 39.000 -0.172 0.000 1.010 313 F HN 0.042 nan 8.300 nan 0.000 0.485 314 R N 0.707 121.149 120.500 -0.097 0.000 2.096 314 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 314 R C 1.666 177.816 176.300 -0.250 0.000 1.139 314 R CA 2.211 58.237 56.100 -0.123 0.000 0.952 314 R CB -0.577 29.681 30.300 -0.069 0.000 0.854 314 R HN 0.154 nan 8.270 nan 0.000 0.436 315 D N 0.609 120.823 120.400 -0.311 0.000 2.263 315 D HA -0.140 4.499 4.640 -0.000 0.000 0.208 315 D C 1.474 177.542 176.300 -0.388 0.000 0.971 315 D CA 1.087 54.901 54.000 -0.311 0.000 0.867 315 D CB -0.079 40.553 40.800 -0.280 0.000 0.929 315 D HN 0.502 nan 8.370 nan 0.000 0.492 316 Q N -0.688 118.744 119.800 -0.613 0.000 2.444 316 Q HA 0.239 4.579 4.340 -0.000 0.000 0.206 316 Q C 0.903 176.554 176.000 -0.582 0.000 0.948 316 Q CA 0.464 55.860 55.803 -0.679 0.000 0.946 316 Q CB 0.661 28.769 28.738 -1.050 0.000 1.027 316 Q HN 0.233 nan 8.270 nan 0.000 0.513 317 G N 0.650 109.206 108.800 -0.407 0.000 2.140 317 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.211 317 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.211 317 G C -0.206 174.767 174.900 0.123 0.000 1.013 317 G CA -0.502 44.527 45.100 -0.118 0.000 0.705 317 G HN 0.313 nan 8.290 nan 0.000 0.508 318 F N 0.125 119.987 119.950 -0.145 0.000 2.457 318 F HA 0.702 5.229 4.527 -0.000 0.000 0.330 318 F C 1.049 176.794 175.800 -0.092 0.000 1.069 318 F CA -0.838 57.063 58.000 -0.166 0.000 1.009 318 F CB 1.781 40.609 39.000 -0.286 0.000 1.276 318 F HN 0.143 nan 8.300 nan 0.000 0.492 319 S N 1.020 116.808 115.700 0.147 0.000 2.537 319 S HA 0.530 5.000 4.470 -0.000 0.000 0.275 319 S C -0.983 173.702 174.600 0.142 0.000 1.272 319 S CA -0.508 57.766 58.200 0.122 0.000 1.050 319 S CB 0.832 64.087 63.200 0.091 0.000 0.961 319 S HN 0.362 nan 8.310 nan 0.000 0.496 320 V N 3.881 123.886 119.914 0.152 0.000 2.540 320 V HA 0.748 4.868 4.120 -0.000 0.000 0.302 320 V C 0.169 176.360 176.094 0.162 0.000 1.035 320 V CA -0.785 61.599 62.300 0.139 0.000 0.873 320 V CB 1.352 33.244 31.823 0.115 0.000 0.992 320 V HN 1.069 nan 8.190 nan 0.000 0.428 321 A N 5.331 128.260 122.820 0.182 0.000 2.249 321 A HA 0.828 5.147 4.320 -0.000 0.000 0.314 321 A C -0.917 176.733 177.584 0.110 0.000 1.290 321 A CA -0.373 51.767 52.037 0.171 0.000 0.893 321 A CB 0.732 19.915 19.000 0.305 0.000 1.165 321 A HN 0.942 nan 8.150 nan 0.000 0.530 322 L N 4.706 125.954 121.223 0.041 0.000 2.325 322 L HA 0.725 5.064 4.340 -0.000 0.000 0.281 322 L C -0.307 176.565 176.870 0.003 0.000 1.004 322 L CA -0.478 54.382 54.840 0.033 0.000 0.823 322 L CB 1.255 43.321 42.059 0.012 0.000 1.236 322 L HN 0.727 nan 8.230 nan 0.000 0.415 323 M N 4.386 123.993 119.600 0.011 0.000 2.114 323 M HA 0.782 5.262 4.480 -0.000 0.000 0.332 323 M C -0.551 175.564 176.300 -0.307 0.000 1.014 323 M CA -0.655 54.615 55.300 -0.050 0.000 0.956 323 M CB 1.350 34.005 32.600 0.091 0.000 1.551 323 M HN 0.645 nan 8.290 nan 0.000 0.427 324 A N 2.667 125.328 122.820 -0.266 0.000 2.309 324 A HA 0.664 4.983 4.320 -0.000 0.000 0.298 324 A C -0.985 176.432 177.584 -0.277 0.000 1.165 324 A CA -0.297 51.503 52.037 -0.395 0.000 0.821 324 A CB 0.651 19.405 19.000 -0.409 0.000 1.102 324 A HN 0.831 nan 8.150 nan 0.000 0.500 325 D N 0.822 121.040 120.400 -0.304 0.000 2.591 325 D HA 0.381 5.021 4.640 -0.000 0.000 0.222 325 D C -1.206 175.111 176.300 0.028 0.000 1.360 325 D CA 0.102 54.071 54.000 -0.051 0.000 0.967 325 D CB 1.594 42.445 40.800 0.084 0.000 1.456 325 D HN 0.389 nan 8.370 nan 0.000 0.588 326 S N 2.224 117.961 115.700 0.061 0.000 2.501 326 S HA 0.444 4.914 4.470 -0.000 0.000 0.301 326 S C 1.007 175.653 174.600 0.077 0.000 1.096 326 S CA -0.351 57.894 58.200 0.075 0.000 1.063 326 S CB 1.735 65.002 63.200 0.111 0.000 1.042 326 S HN 0.376 nan 8.310 nan 0.000 0.494 327 T N 2.775 117.375 114.554 0.077 0.000 2.942 327 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 327 T C 1.789 176.617 174.700 0.213 0.000 1.062 327 T CA 1.555 63.711 62.100 0.094 0.000 1.139 327 T CB -0.224 68.698 68.868 0.089 0.000 0.883 327 T HN 0.595 nan 8.240 nan 0.000 0.468 328 S N 0.870 116.674 115.700 0.172 0.000 2.402 328 S HA 0.022 4.492 4.470 -0.000 0.000 0.229 328 S C 2.120 176.831 174.600 0.185 0.000 1.021 328 S CA 0.701 59.006 58.200 0.176 0.000 0.974 328 S CB -0.089 63.200 63.200 0.148 0.000 0.800 328 S HN 0.436 nan 8.310 nan 0.000 0.484 329 R N -0.556 120.041 120.500 0.161 0.000 2.093 329 R HA -0.054 4.286 4.340 -0.000 0.000 0.224 329 R C 2.051 178.424 176.300 0.122 0.000 1.101 329 R CA 0.976 57.151 56.100 0.124 0.000 0.979 329 R CB -0.353 30.010 30.300 0.105 0.000 0.877 329 R HN 0.516 nan 8.270 nan 0.000 0.441 330 W N 1.932 123.225 121.300 -0.013 0.000 2.317 330 W HA -0.285 4.375 4.660 -0.000 0.000 0.318 330 W C 2.234 178.771 176.519 0.029 0.000 1.227 330 W CA 2.353 59.676 57.345 -0.037 0.000 1.269 330 W CB -0.439 28.935 29.460 -0.144 0.000 1.155 330 W HN 0.096 nan 8.180 nan 0.000 0.484 331 A N 0.066 122.936 122.820 0.082 0.000 1.940 331 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 331 A C 2.015 179.609 177.584 0.017 0.000 1.176 331 A CA 2.024 54.020 52.037 -0.069 0.000 0.631 331 A CB -1.013 18.077 19.000 0.150 0.000 0.814 331 A HN 0.391 nan 8.150 nan 0.000 0.446 332 E N 0.262 120.511 120.200 0.081 0.000 2.038 332 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 332 E C 2.348 178.891 176.600 -0.096 0.000 1.000 332 E CA 1.472 57.885 56.400 0.021 0.000 0.803 332 E CB -0.596 29.117 29.700 0.021 0.000 0.750 332 E HN 0.476 nan 8.360 nan 0.000 0.448 333 A N 1.213 123.934 122.820 -0.165 0.000 1.903 333 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 333 A C 2.328 179.748 177.584 -0.274 0.000 1.191 333 A CA 1.852 53.761 52.037 -0.212 0.000 0.638 333 A CB -0.885 17.974 19.000 -0.235 0.000 0.823 333 A HN 0.343 nan 8.150 nan 0.000 0.451 334 L N -0.585 120.350 121.223 -0.480 0.000 2.191 334 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 334 L C 2.392 179.181 176.870 -0.134 0.000 1.103 334 L CA 1.954 56.565 54.840 -0.381 0.000 0.769 334 L CB -0.469 41.206 42.059 -0.642 0.000 0.908 334 L HN 0.405 nan 8.230 nan 0.000 0.438 335 R N -0.887 119.558 120.500 -0.092 0.000 2.062 335 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 335 R C 2.222 178.482 176.300 -0.066 0.000 1.128 335 R CA 1.170 57.237 56.100 -0.055 0.000 0.960 335 R CB -0.147 30.081 30.300 -0.121 0.000 0.855 335 R HN 0.411 nan 8.270 nan 0.000 0.432 336 E N 0.542 120.696 120.200 -0.077 0.000 2.058 336 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 336 E C 2.007 178.588 176.600 -0.031 0.000 0.997 336 E CA 1.383 57.749 56.400 -0.056 0.000 0.801 336 E CB -0.090 29.577 29.700 -0.056 0.000 0.746 336 E HN 0.194 nan 8.360 nan 0.000 0.450 337 I N 0.635 121.185 120.570 -0.033 0.000 2.099 337 I HA -0.295 3.875 4.170 -0.000 0.000 0.239 337 I C 2.682 178.816 176.117 0.027 0.000 1.066 337 I CA 1.217 62.519 61.300 0.004 0.000 1.324 337 I CB -0.855 37.148 38.000 0.005 0.000 1.037 337 I HN -0.000 nan 8.210 nan 0.000 0.401 338 S N -0.303 115.414 115.700 0.029 0.000 2.390 338 S HA -0.356 4.114 4.470 -0.000 0.000 0.234 338 S C 2.364 176.969 174.600 0.010 0.000 1.063 338 S CA 2.428 60.649 58.200 0.034 0.000 1.108 338 S CB -0.647 62.558 63.200 0.009 0.000 0.975 338 S HN 0.562 nan 8.310 nan 0.000 0.442 339 S N 0.662 116.356 115.700 -0.010 0.000 2.356 339 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 339 S C 2.057 176.659 174.600 0.003 0.000 1.032 339 S CA 1.086 59.278 58.200 -0.014 0.000 1.005 339 S CB -0.402 62.780 63.200 -0.030 0.000 0.867 339 S HN 0.581 nan 8.310 nan 0.000 0.449 340 R N 0.669 121.175 120.500 0.011 0.000 2.083 340 R HA 0.000 4.340 4.340 -0.000 0.000 0.237 340 R C 1.958 178.282 176.300 0.041 0.000 1.137 340 R CA 1.358 57.473 56.100 0.025 0.000 0.951 340 R CB -0.897 29.421 30.300 0.031 0.000 0.851 340 R HN 0.458 nan 8.270 nan 0.000 0.434 341 L N 1.702 122.955 121.223 0.050 0.000 2.885 341 L HA -0.039 4.301 4.340 -0.000 0.000 0.258 341 L C 0.644 177.538 176.870 0.040 0.000 1.146 341 L CA 0.417 55.292 54.840 0.059 0.000 0.922 341 L CB -0.966 41.139 42.059 0.077 0.000 1.138 341 L HN 0.348 nan 8.230 nan 0.000 0.431 342 E N 0.725 120.942 120.200 0.029 0.000 2.604 342 E HA -0.238 4.112 4.350 -0.000 0.000 0.255 342 E C -0.096 176.508 176.600 0.006 0.000 1.164 342 E CA 0.474 56.884 56.400 0.017 0.000 0.737 342 E CB -0.480 29.236 29.700 0.026 0.000 1.317 342 E HN 0.628 nan 8.360 nan 0.000 0.417 343 E N 0.933 121.134 120.200 0.002 0.000 2.360 343 E HA 0.058 4.408 4.350 -0.000 0.000 0.269 343 E C 0.839 177.422 176.600 -0.030 0.000 1.022 343 E CA -0.138 56.252 56.400 -0.016 0.000 0.887 343 E CB 0.430 30.114 29.700 -0.027 0.000 0.990 343 E HN 0.213 nan 8.360 nan 0.000 0.426 344 M N 1.499 121.078 119.600 -0.035 0.000 2.303 344 M HA 0.224 4.704 4.480 -0.000 0.000 0.350 344 M C -2.486 173.785 176.300 -0.048 0.000 1.518 344 M CA -1.706 53.572 55.300 -0.036 0.000 1.070 344 M CB -1.030 31.551 32.600 -0.032 0.000 1.910 344 M HN 0.013 nan 8.290 nan 0.000 0.458 345 P HA 0.294 nan 4.420 nan 0.000 0.263 345 P C -0.419 176.855 177.300 -0.043 0.000 1.195 345 P CA 0.090 63.160 63.100 -0.048 0.000 0.762 345 P CB 0.284 31.955 31.700 -0.048 0.000 0.799 346 A N 3.454 126.248 122.820 -0.043 0.000 2.249 346 A HA 0.344 4.664 4.320 -0.000 0.000 0.281 346 A C 0.033 177.611 177.584 -0.009 0.000 1.127 346 A CA -0.598 51.421 52.037 -0.030 0.000 0.833 346 A CB -0.048 18.931 19.000 -0.034 0.000 1.140 346 A HN 0.632 nan 8.150 nan 0.000 0.502 347 E N -0.170 120.031 120.200 0.001 0.000 2.366 347 E HA 0.375 4.725 4.350 -0.000 0.000 0.266 347 E C -0.755 175.868 176.600 0.037 0.000 1.015 347 E CA 0.177 56.584 56.400 0.011 0.000 0.906 347 E CB 0.221 29.926 29.700 0.009 0.000 0.979 347 E HN 0.473 nan 8.360 nan 0.000 0.443 348 E N 2.476 122.695 120.200 0.032 0.000 2.271 348 E HA -0.113 4.237 4.350 -0.000 0.000 0.215 348 E C 0.518 177.163 176.600 0.076 0.000 1.256 348 E CA 0.920 57.356 56.400 0.060 0.000 0.678 348 E CB -1.711 28.044 29.700 0.091 0.000 1.187 348 E HN 1.106 nan 8.360 nan 0.000 0.392 349 G N 0.728 109.508 108.800 -0.033 0.000 2.451 349 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.296 349 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.296 349 G C -0.289 174.366 174.900 -0.409 0.000 0.922 349 G CA 1.212 46.198 45.100 -0.190 0.000 1.074 349 G HN 0.410 nan 8.290 nan 0.000 0.509 350 Y N -1.217 119.068 120.300 -0.026 0.000 2.521 350 Y HA 0.399 4.949 4.550 -0.000 0.000 0.332 350 Y C -2.146 173.726 175.900 -0.047 0.000 1.121 350 Y CA -1.932 56.150 58.100 -0.030 0.000 1.037 350 Y CB 2.097 40.553 38.460 -0.007 0.000 1.330 350 Y HN 0.034 nan 8.280 nan 0.000 0.452 351 P HA 0.006 nan 4.420 nan 0.000 0.268 351 P C -2.256 175.032 177.300 -0.019 0.000 1.208 351 P CA -0.943 62.139 63.100 -0.030 0.000 0.777 351 P CB 0.702 32.371 31.700 -0.051 0.000 0.875 352 P HA 0.006 nan 4.420 nan 0.000 0.253 352 P C 0.712 178.022 177.300 0.018 0.000 1.260 352 P CA 0.739 63.802 63.100 -0.062 0.000 0.800 352 P CB -0.163 31.477 31.700 -0.100 0.000 1.162 353 Y N -0.776 119.568 120.300 0.073 0.000 2.490 353 Y HA -0.035 4.514 4.550 -0.000 0.000 0.285 353 Y C 2.459 178.431 175.900 0.120 0.000 1.117 353 Y CA -0.618 57.535 58.100 0.087 0.000 1.262 353 Y CB -0.482 38.030 38.460 0.088 0.000 1.043 353 Y HN -0.136 nan 8.280 nan 0.000 0.553 354 L N 1.305 122.682 121.223 0.256 0.000 2.040 354 L HA -0.393 3.946 4.340 -0.000 0.000 0.228 354 L C 2.372 179.378 176.870 0.227 0.000 1.092 354 L CA 2.331 57.298 54.840 0.211 0.000 0.805 354 L CB -1.023 41.073 42.059 0.061 0.000 0.905 354 L HN 0.196 nan 8.230 nan 0.000 0.443 355 A N -0.771 122.138 122.820 0.149 0.000 1.841 355 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 355 A C 2.490 180.173 177.584 0.165 0.000 1.199 355 A CA 2.784 54.896 52.037 0.126 0.000 0.621 355 A CB -1.571 17.472 19.000 0.072 0.000 0.835 355 A HN 0.769 nan 8.150 nan 0.000 0.445 356 A N -0.455 122.466 122.820 0.169 0.000 1.909 356 A HA -0.311 4.009 4.320 -0.000 0.000 0.221 356 A C 2.305 180.006 177.584 0.194 0.000 1.223 356 A CA 2.220 54.353 52.037 0.161 0.000 0.658 356 A CB -0.623 18.478 19.000 0.170 0.000 0.831 356 A HN 0.570 nan 8.150 nan 0.000 0.462 357 R N -1.234 119.430 120.500 0.272 0.000 2.062 357 R HA 0.100 4.440 4.340 -0.000 0.000 0.226 357 R C 2.131 178.640 176.300 0.348 0.000 1.125 357 R CA 1.022 57.338 56.100 0.360 0.000 0.966 357 R CB -0.577 30.037 30.300 0.524 0.000 0.861 357 R HN 0.550 nan 8.270 nan 0.000 0.433 358 L N 0.464 121.889 121.223 0.337 0.000 2.357 358 L HA -0.252 4.088 4.340 -0.000 0.000 0.220 358 L C 2.197 179.305 176.870 0.398 0.000 1.123 358 L CA 1.284 56.311 54.840 0.311 0.000 0.782 358 L CB -0.253 41.986 42.059 0.300 0.000 0.910 358 L HN 0.276 nan 8.230 nan 0.000 0.442 359 A N -1.506 121.470 122.820 0.260 0.000 2.013 359 A HA 0.267 4.586 4.320 -0.000 0.000 0.204 359 A C 2.373 180.042 177.584 0.141 0.000 1.262 359 A CA 0.603 52.749 52.037 0.182 0.000 0.800 359 A CB -0.324 18.743 19.000 0.112 0.000 0.909 359 A HN 0.257 nan 8.150 nan 0.000 0.472 360 A N -0.545 122.378 122.820 0.171 0.000 2.032 360 A HA -0.048 4.272 4.320 -0.000 0.000 0.221 360 A C 1.897 179.602 177.584 0.202 0.000 1.165 360 A CA 1.778 53.915 52.037 0.166 0.000 0.645 360 A CB -0.653 18.451 19.000 0.174 0.000 0.807 360 A HN 0.805 nan 8.150 nan 0.000 0.453 361 F N -1.426 118.553 119.950 0.048 0.000 2.092 361 F HA 0.020 4.547 4.527 -0.000 0.000 0.286 361 F C 2.077 177.782 175.800 -0.158 0.000 1.116 361 F CA 1.278 59.173 58.000 -0.175 0.000 1.185 361 F CB -0.687 37.943 39.000 -0.618 0.000 1.034 361 F HN 0.169 nan 8.300 nan 0.000 0.479 362 Y N 1.340 121.347 120.300 -0.488 0.000 2.241 362 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 362 Y C 2.430 178.086 175.900 -0.407 0.000 1.166 362 Y CA 1.955 59.668 58.100 -0.646 0.000 1.203 362 Y CB -0.485 37.842 38.460 -0.220 0.000 0.977 362 Y HN 0.205 nan 8.280 nan 0.000 0.529 363 E N -0.267 119.891 120.200 -0.071 0.000 2.427 363 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 363 E C 1.910 178.460 176.600 -0.085 0.000 1.028 363 E CA 0.362 56.732 56.400 -0.049 0.000 0.864 363 E CB -0.125 29.574 29.700 -0.000 0.000 0.813 363 E HN 0.492 nan 8.360 nan 0.000 0.514 364 R N 0.662 121.075 120.500 -0.145 0.000 2.285 364 R HA 0.026 4.366 4.340 -0.000 0.000 0.213 364 R C 1.069 177.268 176.300 -0.167 0.000 1.068 364 R CA 0.363 56.384 56.100 -0.131 0.000 1.004 364 R CB -0.049 30.184 30.300 -0.112 0.000 0.873 364 R HN -0.027 nan 8.270 nan 0.000 0.467 365 A N 0.604 123.290 122.820 -0.223 0.000 2.366 365 A HA 0.531 4.851 4.320 -0.000 0.000 0.250 365 A C 0.482 178.012 177.584 -0.090 0.000 1.099 365 A CA 0.559 52.494 52.037 -0.171 0.000 0.794 365 A CB 0.296 19.191 19.000 -0.174 0.000 1.056 365 A HN 0.348 nan 8.150 nan 0.000 0.499 366 G N -0.379 108.380 108.800 -0.068 0.000 2.329 366 G HA2 0.370 4.330 3.960 -0.000 0.000 0.308 366 G HA3 0.370 4.330 3.960 -0.000 0.000 0.308 366 G C -0.962 173.920 174.900 -0.029 0.000 1.587 366 G CA -0.279 44.799 45.100 -0.035 0.000 0.978 366 G HN 0.898 nan 8.290 nan 0.000 0.685 367 K N -0.138 120.253 120.400 -0.015 0.000 2.156 367 K HA 0.790 5.110 4.320 -0.000 0.000 0.271 367 K C 0.032 176.626 176.600 -0.009 0.000 0.995 367 K CA -0.533 55.750 56.287 -0.007 0.000 0.890 367 K CB 1.661 34.160 32.500 -0.001 0.000 1.073 367 K HN 1.459 nan 8.250 nan 0.000 0.454 368 V N 1.795 121.701 119.914 -0.013 0.000 3.147 368 V HA 0.499 4.619 4.120 -0.000 0.000 0.306 368 V C -0.587 175.495 176.094 -0.020 0.000 1.209 368 V CA -1.214 61.074 62.300 -0.019 0.000 1.023 368 V CB 1.589 33.392 31.823 -0.033 0.000 1.059 368 V HN 0.876 nan 8.190 nan 0.000 0.435 369 I N 3.653 124.211 120.570 -0.020 0.000 2.312 369 I HA 0.519 4.689 4.170 -0.000 0.000 0.291 369 I C 0.883 176.976 176.117 -0.040 0.000 1.031 369 I CA 0.186 61.471 61.300 -0.025 0.000 1.293 369 I CB 1.256 39.247 38.000 -0.016 0.000 1.403 369 I HN 1.136 nan 8.210 nan 0.000 0.484 370 T N 3.953 118.474 114.554 -0.055 0.000 2.663 370 T HA 0.066 4.416 4.350 -0.000 0.000 0.325 370 T C 1.355 176.013 174.700 -0.071 0.000 1.059 370 T CA -0.336 61.717 62.100 -0.078 0.000 1.039 370 T CB 0.755 69.559 68.868 -0.106 0.000 0.996 370 T HN 0.701 nan 8.240 nan 0.000 0.539 371 L N 0.886 122.058 121.223 -0.085 0.000 2.187 371 L HA 0.038 4.378 4.340 -0.000 0.000 0.213 371 L C 2.806 179.636 176.870 -0.066 0.000 1.100 371 L CA 1.461 56.257 54.840 -0.074 0.000 0.765 371 L CB -0.893 41.113 42.059 -0.089 0.000 0.904 371 L HN 1.020 nan 8.230 nan 0.000 0.437 372 G N -1.746 107.008 108.800 -0.076 0.000 2.813 372 G HA2 0.232 4.192 3.960 -0.000 0.000 0.209 372 G HA3 0.232 4.192 3.960 -0.000 0.000 0.209 372 G C 1.304 176.176 174.900 -0.047 0.000 1.150 372 G CA 0.590 45.651 45.100 -0.065 0.000 0.785 372 G HN 0.511 nan 8.290 nan 0.000 0.535 373 G N -0.361 108.412 108.800 -0.044 0.000 2.284 373 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.230 373 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.230 373 G C 0.485 175.369 174.900 -0.026 0.000 1.021 373 G CA 0.262 45.344 45.100 -0.030 0.000 0.619 373 G HN 0.470 nan 8.290 nan 0.000 0.510 374 E N 1.137 121.317 120.200 -0.033 0.000 2.455 374 E HA 0.324 4.674 4.350 -0.000 0.000 0.259 374 E C 0.428 177.014 176.600 -0.024 0.000 1.245 374 E CA 0.388 56.774 56.400 -0.023 0.000 1.013 374 E CB 0.541 30.224 29.700 -0.029 0.000 0.978 374 E HN 0.681 nan 8.360 nan 0.000 0.479 375 E N -0.580 119.615 120.200 -0.008 0.000 2.183 375 E HA 0.557 4.907 4.350 -0.000 0.000 0.271 375 E C -0.736 175.863 176.600 -0.001 0.000 0.919 375 E CA -0.653 55.744 56.400 -0.005 0.000 0.781 375 E CB 1.403 31.109 29.700 0.010 0.000 1.140 375 E HN 0.492 nan 8.360 nan 0.000 0.402 376 G N 1.364 110.158 108.800 -0.010 0.000 2.687 376 G HA2 0.764 4.724 3.960 -0.000 0.000 0.291 376 G HA3 0.764 4.724 3.960 -0.000 0.000 0.291 376 G C -1.616 173.287 174.900 0.005 0.000 1.420 376 G CA -0.293 44.807 45.100 -0.000 0.000 0.796 376 G HN 0.728 nan 8.290 nan 0.000 0.485 377 A N -1.369 121.466 122.820 0.025 0.000 2.609 377 A HA 0.804 5.123 4.320 -0.000 0.000 0.291 377 A C -1.740 175.861 177.584 0.029 0.000 1.096 377 A CA -0.539 51.513 52.037 0.025 0.000 0.684 377 A CB 1.797 20.830 19.000 0.055 0.000 1.282 377 A HN 1.525 nan 8.150 nan 0.000 0.412 378 V N 1.352 121.264 119.914 -0.004 0.000 2.447 378 V HA 0.495 4.614 4.120 -0.000 0.000 0.292 378 V C -0.293 175.754 176.094 -0.078 0.000 1.021 378 V CA -0.304 61.981 62.300 -0.025 0.000 0.850 378 V CB 1.524 33.314 31.823 -0.054 0.000 1.005 378 V HN 0.906 nan 8.190 nan 0.000 0.426 379 T N 6.616 121.101 114.554 -0.114 0.000 2.767 379 T HA 0.637 4.987 4.350 -0.000 0.000 0.288 379 T C -0.110 174.433 174.700 -0.261 0.000 0.963 379 T CA -0.063 61.863 62.100 -0.290 0.000 1.019 379 T CB 0.721 69.156 68.868 -0.721 0.000 0.923 379 T HN 0.391 nan 8.240 nan 0.000 0.468 380 I N 3.016 123.456 120.570 -0.217 0.000 2.377 380 I HA 0.413 4.583 4.170 -0.000 0.000 0.293 380 I C -0.417 175.638 176.117 -0.104 0.000 0.987 380 I CA -1.063 60.153 61.300 -0.140 0.000 1.185 380 I CB 1.825 39.730 38.000 -0.157 0.000 1.341 380 I HN 0.246 nan 8.210 nan 0.000 0.455 381 V N 5.587 125.466 119.914 -0.059 0.000 2.266 381 V HA 0.381 4.501 4.120 -0.000 0.000 0.271 381 V C 0.725 176.850 176.094 0.051 0.000 1.032 381 V CA -0.520 61.765 62.300 -0.024 0.000 0.806 381 V CB 0.889 32.745 31.823 0.056 0.000 1.052 381 V HN 0.916 nan 8.190 nan 0.000 0.449 382 G N 3.108 111.985 108.800 0.129 0.000 2.444 382 G HA2 0.616 4.576 3.960 -0.000 0.000 0.268 382 G HA3 0.616 4.576 3.960 -0.000 0.000 0.268 382 G C -0.085 174.893 174.900 0.130 0.000 1.203 382 G CA -0.014 45.182 45.100 0.159 0.000 0.835 382 G HN 0.951 nan 8.290 nan 0.000 0.543 383 A N 0.817 123.700 122.820 0.106 0.000 2.317 383 A HA 0.651 4.971 4.320 -0.000 0.000 0.327 383 A C -0.360 177.308 177.584 0.140 0.000 1.178 383 A CA -0.507 51.605 52.037 0.125 0.000 0.817 383 A CB 1.526 20.598 19.000 0.121 0.000 1.189 383 A HN 0.884 nan 8.150 nan 0.000 0.489 384 V N 2.110 122.125 119.914 0.168 0.000 2.347 384 V HA 0.447 4.567 4.120 -0.000 0.000 0.280 384 V C 0.248 176.431 176.094 0.148 0.000 1.021 384 V CA -0.214 62.180 62.300 0.156 0.000 0.847 384 V CB 1.100 33.023 31.823 0.167 0.000 0.990 384 V HN 0.788 nan 8.190 nan 0.000 0.444 385 S N 6.659 122.438 115.700 0.132 0.000 2.130 385 S HA 0.440 4.910 4.470 -0.000 0.000 0.165 385 S C -2.627 172.042 174.600 0.116 0.000 1.677 385 S CA -0.736 57.541 58.200 0.128 0.000 1.227 385 S CB 0.976 64.255 63.200 0.131 0.000 1.115 385 S HN 0.707 nan 8.310 nan 0.000 0.452 386 P HA 0.397 nan 4.420 nan 0.000 0.235 386 P C -2.417 174.931 177.300 0.080 0.000 1.706 386 P CA -1.828 61.327 63.100 0.092 0.000 1.212 386 P CB 1.311 33.064 31.700 0.089 0.000 1.520 387 P HA -0.253 nan 4.420 nan 0.000 0.221 387 P C 1.676 179.002 177.300 0.044 0.000 1.151 387 P CA 1.964 65.098 63.100 0.057 0.000 0.843 387 P CB -0.385 31.336 31.700 0.035 0.000 0.778 388 G N -0.916 107.910 108.800 0.043 0.000 2.479 388 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.220 388 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.220 388 G C 1.113 176.034 174.900 0.036 0.000 1.115 388 G CA 0.690 45.811 45.100 0.035 0.000 0.757 388 G HN 0.530 nan 8.290 nan 0.000 0.560 389 G N 0.923 109.752 108.800 0.048 0.000 2.338 389 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.296 389 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.296 389 G C -0.332 174.592 174.900 0.039 0.000 1.040 389 G CA 0.386 45.514 45.100 0.047 0.000 1.004 389 G HN 0.815 nan 8.290 nan 0.000 0.509 390 D N -0.388 120.038 120.400 0.043 0.000 2.453 390 D HA 0.414 5.054 4.640 -0.000 0.000 0.238 390 D C 1.326 177.643 176.300 0.029 0.000 1.088 390 D CA -1.404 52.616 54.000 0.033 0.000 0.854 390 D CB 0.803 41.623 40.800 0.033 0.000 1.076 390 D HN 0.011 nan 8.370 nan 0.000 0.533 391 M N 1.103 120.712 119.600 0.014 0.000 2.748 391 M HA -0.087 4.393 4.480 -0.000 0.000 0.241 391 M C 1.442 177.726 176.300 -0.027 0.000 1.080 391 M CA 0.478 55.767 55.300 -0.017 0.000 1.068 391 M CB -0.891 31.690 32.600 -0.031 0.000 1.536 391 M HN 0.497 nan 8.290 nan 0.000 0.540 392 S N -0.856 114.843 115.700 -0.002 0.000 2.456 392 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 392 S C 0.714 175.322 174.600 0.013 0.000 1.035 392 S CA -0.267 57.934 58.200 0.002 0.000 0.940 392 S CB -0.130 63.078 63.200 0.013 0.000 0.799 392 S HN 0.481 nan 8.310 nan 0.000 0.508 393 E N 3.349 123.569 120.200 0.034 0.000 3.557 393 E HA -0.087 4.263 4.350 -0.000 0.000 0.264 393 E C -1.782 174.814 176.600 -0.007 0.000 0.847 393 E CA -0.379 56.054 56.400 0.055 0.000 0.966 393 E CB 0.452 30.186 29.700 0.056 0.000 0.905 393 E HN 0.239 nan 8.360 nan 0.000 0.567 394 P HA -0.214 nan 4.420 nan 0.000 0.220 394 P C 1.085 178.287 177.300 -0.165 0.000 1.144 394 P CA 0.655 63.708 63.100 -0.079 0.000 0.800 394 P CB 0.189 31.854 31.700 -0.058 0.000 0.772 395 V N -0.411 119.359 119.914 -0.239 0.000 2.233 395 V HA -0.284 3.835 4.120 -0.000 0.000 0.247 395 V C 2.381 178.426 176.094 -0.082 0.000 1.050 395 V CA 2.717 64.908 62.300 -0.182 0.000 1.010 395 V CB -1.710 30.030 31.823 -0.138 0.000 0.637 395 V HN 0.178 nan 8.190 nan 0.000 0.444 396 T N -0.743 113.771 114.554 -0.066 0.000 2.684 396 T HA -0.277 4.073 4.350 -0.000 0.000 0.267 396 T C 1.898 176.516 174.700 -0.136 0.000 1.036 396 T CA 1.879 63.922 62.100 -0.094 0.000 1.148 396 T CB -0.299 68.517 68.868 -0.088 0.000 0.863 396 T HN 0.536 nan 8.240 nan 0.000 0.436 397 Q N 0.645 120.380 119.800 -0.108 0.000 1.998 397 Q HA -0.160 4.180 4.340 -0.000 0.000 0.209 397 Q C 2.775 178.714 176.000 -0.101 0.000 1.002 397 Q CA 1.993 57.736 55.803 -0.100 0.000 0.858 397 Q CB -0.384 28.313 28.738 -0.068 0.000 0.932 397 Q HN 0.398 nan 8.270 nan 0.000 0.416 398 S N 0.183 115.833 115.700 -0.083 0.000 2.354 398 S HA -0.191 4.279 4.470 -0.000 0.000 0.219 398 S C 2.083 176.617 174.600 -0.110 0.000 1.035 398 S CA 1.730 59.890 58.200 -0.067 0.000 1.037 398 S CB -0.725 62.458 63.200 -0.029 0.000 0.956 398 S HN 0.453 nan 8.310 nan 0.000 0.428 399 T N 2.926 117.403 114.554 -0.128 0.000 2.602 399 T HA -0.198 4.152 4.350 -0.000 0.000 0.264 399 T C 1.647 176.178 174.700 -0.282 0.000 1.085 399 T CA 1.623 63.571 62.100 -0.254 0.000 1.164 399 T CB -0.671 68.103 68.868 -0.156 0.000 0.860 399 T HN 0.257 nan 8.240 nan 0.000 0.442 400 L N 0.399 121.496 121.223 -0.210 0.000 2.395 400 L HA 0.081 4.421 4.340 -0.000 0.000 0.218 400 L C 2.739 179.540 176.870 -0.116 0.000 1.130 400 L CA 0.539 55.273 54.840 -0.176 0.000 0.826 400 L CB -0.346 41.574 42.059 -0.233 0.000 0.941 400 L HN 0.137 nan 8.230 nan 0.000 0.451 401 R N 0.585 121.010 120.500 -0.124 0.000 2.307 401 R HA 0.003 4.343 4.340 -0.000 0.000 0.199 401 R C 1.424 177.660 176.300 -0.106 0.000 1.000 401 R CA 0.913 56.954 56.100 -0.099 0.000 1.023 401 R CB 0.299 30.551 30.300 -0.079 0.000 0.908 401 R HN 0.410 nan 8.270 nan 0.000 0.473 402 I N -0.113 120.369 120.570 -0.146 0.000 4.046 402 I HA 0.014 4.184 4.170 -0.000 0.000 0.285 402 I C 0.543 176.549 176.117 -0.186 0.000 1.183 402 I CA 0.033 61.232 61.300 -0.168 0.000 1.337 402 I CB 0.563 38.437 38.000 -0.210 0.000 1.478 402 I HN -0.185 nan 8.210 nan 0.000 0.452 403 V N 0.318 120.089 119.914 -0.238 0.000 2.963 403 V HA 0.302 4.422 4.120 -0.000 0.000 0.306 403 V C 1.279 177.337 176.094 -0.060 0.000 1.077 403 V CA 0.227 62.432 62.300 -0.158 0.000 1.124 403 V CB 0.447 32.159 31.823 -0.185 0.000 0.987 403 V HN 0.389 nan 8.190 nan 0.000 0.487 404 G N 1.232 110.051 108.800 0.031 0.000 2.985 404 G HA2 0.595 4.555 3.960 -0.000 0.000 0.209 404 G HA3 0.595 4.555 3.960 -0.000 0.000 0.209 404 G C 0.307 175.242 174.900 0.059 0.000 1.165 404 G CA 0.512 45.423 45.100 -0.315 0.000 0.776 404 G HN 1.628 nan 8.290 nan 0.000 0.541 405 A N -0.893 122.027 122.820 0.166 0.000 2.597 405 A HA 0.654 4.974 4.320 -0.000 0.000 0.292 405 A C -2.276 175.127 177.584 -0.301 0.000 1.057 405 A CA -0.646 51.414 52.037 0.038 0.000 0.674 405 A CB 1.261 20.326 19.000 0.110 0.000 1.278 405 A HN 0.347 nan 8.150 nan 0.000 0.416 406 F N 1.216 120.670 119.950 -0.826 0.000 2.539 406 F HA 0.744 5.271 4.527 -0.000 0.000 0.318 406 F C -1.655 173.835 175.800 -0.516 0.000 1.135 406 F CA -1.232 56.316 58.000 -0.754 0.000 0.915 406 F CB 1.422 39.916 39.000 -0.842 0.000 1.176 406 F HN 0.532 nan 8.300 nan 0.000 0.440 407 W N 6.388 127.204 121.300 -0.807 0.000 2.309 407 W HA 0.364 5.024 4.660 -0.000 0.000 0.332 407 W C 0.010 175.944 176.519 -0.976 0.000 0.962 407 W CA -1.143 55.770 57.345 -0.721 0.000 1.497 407 W CB 0.618 29.865 29.460 -0.356 0.000 1.308 407 W HN 0.458 nan 8.180 nan 0.000 0.384 408 R N 2.858 122.915 120.500 -0.737 0.000 2.309 408 R HA 0.346 4.686 4.340 -0.000 0.000 0.331 408 R C -0.523 175.612 176.300 -0.275 0.000 1.116 408 R CA 0.177 55.950 56.100 -0.546 0.000 0.970 408 R CB -0.281 29.897 30.300 -0.204 0.000 1.024 408 R HN 0.448 nan 8.270 nan 0.000 0.472 409 L N 2.571 123.672 121.223 -0.203 0.000 2.456 409 L HA 0.388 4.728 4.340 -0.000 0.000 0.257 409 L C -0.093 176.727 176.870 -0.083 0.000 1.162 409 L CA -0.089 54.686 54.840 -0.108 0.000 0.808 409 L CB 0.821 42.851 42.059 -0.048 0.000 1.136 409 L HN 0.664 nan 8.230 nan 0.000 0.466 410 D N -0.263 120.087 120.400 -0.084 0.000 2.688 410 D HA 0.292 4.931 4.640 -0.000 0.000 0.210 410 D C 0.033 176.282 176.300 -0.086 0.000 1.333 410 D CA -0.351 53.596 54.000 -0.089 0.000 0.920 410 D CB 1.913 42.624 40.800 -0.147 0.000 1.554 410 D HN 0.483 nan 8.370 nan 0.000 0.579 411 A N 2.310 125.101 122.820 -0.048 0.000 2.119 411 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 411 A C 1.999 179.570 177.584 -0.022 0.000 1.153 411 A CA 1.559 53.578 52.037 -0.031 0.000 0.692 411 A CB -0.025 18.976 19.000 0.001 0.000 0.799 411 A HN 0.436 nan 8.150 nan 0.000 0.458 412 S N -0.537 115.135 115.700 -0.047 0.000 2.368 412 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 412 S C 1.878 176.470 174.600 -0.013 0.000 1.029 412 S CA 1.456 59.640 58.200 -0.027 0.000 0.988 412 S CB -0.352 62.808 63.200 -0.065 0.000 0.838 412 S HN 0.361 nan 8.310 nan 0.000 0.462 413 L N 1.936 123.096 121.223 -0.106 0.000 2.056 413 L HA 0.266 4.606 4.340 -0.000 0.000 0.207 413 L C 2.718 179.484 176.870 -0.173 0.000 1.078 413 L CA 1.741 56.492 54.840 -0.148 0.000 0.749 413 L CB -1.498 40.425 42.059 -0.228 0.000 0.901 413 L HN 0.400 nan 8.230 nan 0.000 0.433 414 A N -0.973 121.698 122.820 -0.248 0.000 1.892 414 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 414 A C 2.278 179.801 177.584 -0.102 0.000 1.188 414 A CA 2.020 53.806 52.037 -0.419 0.000 0.631 414 A CB -1.230 17.628 19.000 -0.238 0.000 0.822 414 A HN 0.440 nan 8.150 nan 0.000 0.447 415 F N 0.618 120.502 119.950 -0.109 0.000 2.120 415 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 415 F C 2.345 178.138 175.800 -0.012 0.000 1.095 415 F CA 1.989 59.971 58.000 -0.029 0.000 1.249 415 F CB -0.310 38.679 39.000 -0.018 0.000 0.995 415 F HN 0.149 nan 8.300 nan 0.000 0.480 416 R N -0.263 120.258 120.500 0.036 0.000 2.293 416 R HA -0.052 4.288 4.340 -0.000 0.000 0.219 416 R C 0.565 176.854 176.300 -0.018 0.000 1.091 416 R CA 0.957 57.048 56.100 -0.014 0.000 1.004 416 R CB -0.149 30.171 30.300 0.034 0.000 0.865 416 R HN 0.256 nan 8.270 nan 0.000 0.469 417 R N -1.746 118.735 120.500 -0.032 0.000 3.862 417 R HA -0.184 4.156 4.340 -0.000 0.000 0.398 417 R C -0.639 175.708 176.300 0.079 0.000 1.110 417 R CA 0.605 56.745 56.100 0.067 0.000 1.010 417 R CB -2.446 27.910 30.300 0.094 0.000 1.613 417 R HN 0.431 nan 8.270 nan 0.000 0.530 418 H N -0.212 118.756 119.070 -0.170 0.000 2.604 418 H HA 0.513 5.069 4.556 -0.000 0.000 0.306 418 H C -0.754 174.366 175.328 -0.347 0.000 1.075 418 H CA 0.013 55.990 56.048 -0.119 0.000 1.357 418 H CB 0.390 30.142 29.762 -0.017 0.000 1.426 418 H HN 0.059 nan 8.280 nan 0.000 0.470 419 F N 6.322 126.147 119.950 -0.209 0.000 2.569 419 F HA 0.342 4.869 4.527 -0.000 0.000 0.312 419 F C -2.240 173.423 175.800 -0.227 0.000 1.109 419 F CA -2.169 55.747 58.000 -0.140 0.000 0.919 419 F CB 2.311 41.223 39.000 -0.146 0.000 1.211 419 F HN 0.520 nan 8.300 nan 0.000 0.446 420 P HA 0.196 nan 4.420 nan 0.000 0.284 420 P C -0.634 176.721 177.300 0.092 0.000 1.253 420 P CA -0.411 62.799 63.100 0.183 0.000 0.800 420 P CB 1.487 33.234 31.700 0.078 0.000 0.961 421 A N 4.316 127.127 122.820 -0.015 0.000 2.863 421 A HA 0.099 4.419 4.320 -0.000 0.000 0.246 421 A C 0.763 178.316 177.584 -0.052 0.000 1.772 421 A CA -0.177 51.805 52.037 -0.092 0.000 1.456 421 A CB -1.845 17.014 19.000 -0.235 0.000 0.930 421 A HN 0.663 nan 8.150 nan 0.000 0.630 422 I N -0.559 120.020 120.570 0.015 0.000 2.396 422 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 422 I C -0.067 175.997 176.117 -0.088 0.000 0.999 422 I CA -0.690 60.578 61.300 -0.053 0.000 1.310 422 I CB 0.941 38.905 38.000 -0.061 0.000 1.404 422 I HN 0.297 nan 8.210 nan 0.000 0.496 423 N N 7.123 125.684 118.700 -0.232 0.000 2.414 423 N HA 0.060 4.800 4.740 -0.000 0.000 0.256 423 N C 0.374 175.739 175.510 -0.241 0.000 1.029 423 N CA -0.473 52.342 53.050 -0.391 0.000 0.948 423 N CB 0.820 39.090 38.487 -0.362 0.000 1.102 423 N HN 0.910 nan 8.380 nan 0.000 0.496 424 W N 4.748 126.090 121.300 0.070 0.000 2.402 424 W HA 0.036 4.696 4.660 -0.000 0.000 0.286 424 W C 0.940 177.617 176.519 0.263 0.000 1.221 424 W CA 0.306 57.854 57.345 0.338 0.000 1.257 424 W CB -0.521 29.154 29.460 0.359 0.000 1.120 424 W HN 0.405 nan 8.180 nan 0.000 0.551 425 N N 0.856 119.575 118.700 0.032 0.000 2.216 425 N HA 0.011 4.751 4.740 -0.000 0.000 0.183 425 N C 2.104 177.671 175.510 0.095 0.000 1.017 425 N CA 2.030 55.139 53.050 0.098 0.000 0.861 425 N CB -1.073 37.408 38.487 -0.010 0.000 0.986 425 N HN 0.374 nan 8.380 nan 0.000 0.428 426 G N -0.264 108.535 108.800 -0.001 0.000 2.408 426 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.215 426 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.215 426 G C 0.564 175.526 174.900 0.104 0.000 1.156 426 G CA 0.155 45.289 45.100 0.056 0.000 0.793 426 G HN 0.229 nan 8.290 nan 0.000 0.535 427 S N -0.423 115.214 115.700 -0.104 0.000 2.632 427 S HA 0.611 5.081 4.470 -0.000 0.000 0.267 427 S C -0.539 174.059 174.600 -0.004 0.000 1.276 427 S CA -0.346 57.655 58.200 -0.331 0.000 0.998 427 S CB 0.814 63.432 63.200 -0.971 0.000 0.953 427 S HN 0.578 nan 8.310 nan 0.000 0.547 428 Y N -2.048 118.363 120.300 0.186 0.000 2.725 428 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 428 Y C -0.761 175.445 175.900 0.510 0.000 1.242 428 Y CA -1.148 57.242 58.100 0.483 0.000 1.059 428 Y CB 1.082 39.707 38.460 0.276 0.000 1.306 428 Y HN 0.554 nan 8.280 nan 0.000 0.454 429 S N 0.467 116.617 115.700 0.750 0.000 2.547 429 S HA 0.537 5.007 4.470 -0.000 0.000 0.281 429 S C -0.636 174.193 174.600 0.383 0.000 1.118 429 S CA -0.818 57.731 58.200 0.582 0.000 0.947 429 S CB 1.241 64.787 63.200 0.576 0.000 1.053 429 S HN 0.818 nan 8.310 nan 0.000 0.482 430 L N 3.575 124.902 121.223 0.173 0.000 2.590 430 L HA 0.279 4.619 4.340 -0.000 0.000 0.227 430 L C 0.810 177.574 176.870 -0.177 0.000 1.099 430 L CA 0.415 55.184 54.840 -0.118 0.000 0.872 430 L CB -0.255 41.596 42.059 -0.346 0.000 1.088 430 L HN 0.643 nan 8.230 nan 0.000 0.479 431 F N 0.245 120.280 119.950 0.140 0.000 2.530 431 F HA -0.059 4.468 4.527 -0.000 0.000 0.292 431 F C 2.630 178.495 175.800 0.110 0.000 1.109 431 F CA 0.980 59.040 58.000 0.101 0.000 1.450 431 F CB -0.633 38.426 39.000 0.098 0.000 1.114 431 F HN 0.068 nan 8.300 nan 0.000 0.560 432 T N -2.142 112.617 114.554 0.342 0.000 2.653 432 T HA -0.364 3.986 4.350 -0.000 0.000 0.267 432 T C 2.160 177.005 174.700 0.242 0.000 1.037 432 T CA 1.781 64.071 62.100 0.317 0.000 1.159 432 T CB -1.106 67.937 68.868 0.291 0.000 0.859 432 T HN 0.273 nan 8.240 nan 0.000 0.449 433 S N 1.483 117.285 115.700 0.171 0.000 2.370 433 S HA 0.032 4.502 4.470 -0.000 0.000 0.226 433 S C 2.244 176.908 174.600 0.107 0.000 1.033 433 S CA 1.193 59.470 58.200 0.128 0.000 1.011 433 S CB -0.751 62.499 63.200 0.085 0.000 0.852 433 S HN 0.772 nan 8.310 nan 0.000 0.457 434 A N -0.014 122.861 122.820 0.092 0.000 2.251 434 A HA 0.394 4.714 4.320 -0.000 0.000 0.209 434 A C 1.635 179.222 177.584 0.006 0.000 1.187 434 A CA 0.098 52.171 52.037 0.060 0.000 0.823 434 A CB -0.260 18.781 19.000 0.067 0.000 0.846 434 A HN 0.544 nan 8.150 nan 0.000 0.486 435 L N -1.026 120.163 121.223 -0.056 0.000 2.529 435 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 435 L C 1.303 177.863 176.870 -0.517 0.000 1.113 435 L CA 0.138 54.758 54.840 -0.366 0.000 0.861 435 L CB -0.179 41.535 42.059 -0.575 0.000 1.012 435 L HN 0.081 nan 8.230 nan 0.000 0.461 436 D N 0.769 121.137 120.400 -0.054 0.000 2.097 436 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 436 D C -0.405 175.983 176.300 0.147 0.000 0.989 436 D CA 1.354 55.480 54.000 0.210 0.000 0.827 436 D CB -1.335 39.622 40.800 0.262 0.000 0.966 436 D HN 0.158 nan 8.370 nan 0.000 0.456 437 P HA -0.181 nan 4.420 nan 0.000 0.215 437 P C 1.332 178.677 177.300 0.075 0.000 1.163 437 P CA 1.221 64.365 63.100 0.073 0.000 0.894 437 P CB -0.202 31.534 31.700 0.059 0.000 0.791 438 W N -0.822 120.396 121.300 -0.136 0.000 2.321 438 W HA -0.249 4.411 4.660 -0.000 0.000 0.306 438 W C 2.277 178.747 176.519 -0.082 0.000 1.217 438 W CA 1.553 58.813 57.345 -0.142 0.000 1.257 438 W CB -1.070 28.253 29.460 -0.228 0.000 1.145 438 W HN -0.010 nan 8.180 nan 0.000 0.509 439 Y N 0.182 120.642 120.300 0.267 0.000 2.070 439 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 439 Y C 2.749 178.574 175.900 -0.124 0.000 1.148 439 Y CA 1.669 59.775 58.100 0.009 0.000 1.125 439 Y CB -0.758 37.670 38.460 -0.054 0.000 0.975 439 Y HN -0.175 nan 8.280 nan 0.000 0.492 440 R N 0.107 120.705 120.500 0.164 0.000 2.139 440 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 440 R C 1.710 177.972 176.300 -0.063 0.000 1.145 440 R CA 1.618 57.759 56.100 0.069 0.000 0.976 440 R CB -0.384 29.968 30.300 0.085 0.000 0.866 440 R HN 0.343 nan 8.270 nan 0.000 0.449 441 E N -0.143 119.972 120.200 -0.142 0.000 2.230 441 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 441 E C 1.103 177.469 176.600 -0.390 0.000 0.987 441 E CA 0.795 57.054 56.400 -0.236 0.000 0.841 441 E CB 0.101 29.660 29.700 -0.235 0.000 0.783 441 E HN 0.323 nan 8.360 nan 0.000 0.481 442 N N -1.070 117.274 118.700 -0.592 0.000 2.193 442 N HA 0.091 4.831 4.740 -0.000 0.000 0.210 442 N C 0.651 175.825 175.510 -0.560 0.000 1.215 442 N CA 0.235 52.790 53.050 -0.826 0.000 0.901 442 N CB 1.700 39.015 38.487 -1.953 0.000 1.060 442 N HN -0.034 nan 8.380 nan 0.000 0.508 443 V N 0.135 119.818 119.914 -0.384 0.000 3.058 443 V HA 0.518 4.638 4.120 -0.000 0.000 0.233 443 V C -0.069 175.837 176.094 -0.314 0.000 1.255 443 V CA 0.358 62.502 62.300 -0.259 0.000 1.267 443 V CB 1.066 32.777 31.823 -0.187 0.000 1.049 443 V HN 0.181 nan 8.190 nan 0.000 0.486 444 A N -0.066 122.615 122.820 -0.231 0.000 2.599 444 A HA 0.459 4.779 4.320 -0.000 0.000 0.306 444 A C 0.228 177.791 177.584 -0.035 0.000 1.014 444 A CA 0.157 52.045 52.037 -0.249 0.000 0.784 444 A CB 0.553 19.165 19.000 -0.647 0.000 1.229 444 A HN 0.048 nan 8.150 nan 0.000 0.398 445 E N 1.524 121.712 120.200 -0.020 0.000 2.147 445 E HA -0.207 4.142 4.350 -0.000 0.000 0.199 445 E C 0.743 177.406 176.600 0.104 0.000 1.005 445 E CA 2.351 58.774 56.400 0.038 0.000 0.810 445 E CB 0.069 29.784 29.700 0.026 0.000 0.736 445 E HN 0.689 nan 8.360 nan 0.000 0.460 446 D N -0.902 119.582 120.400 0.139 0.000 3.163 446 D HA -0.036 4.604 4.640 -0.000 0.000 0.284 446 D C 0.738 177.193 176.300 0.259 0.000 1.368 446 D CA -0.497 53.609 54.000 0.178 0.000 0.895 446 D CB -0.595 40.300 40.800 0.159 0.000 1.061 446 D HN 0.237 nan 8.370 nan 0.000 0.496 447 Y N 1.941 122.324 120.300 0.137 0.000 2.138 447 Y HA 0.057 4.607 4.550 -0.000 0.000 0.286 447 Y C -0.807 175.128 175.900 0.057 0.000 1.115 447 Y CA 1.227 59.401 58.100 0.124 0.000 1.105 447 Y CB -1.049 37.447 38.460 0.059 0.000 1.004 447 Y HN 0.013 nan 8.280 nan 0.000 0.494 448 P HA -0.236 nan 4.420 nan 0.000 0.215 448 P C 1.366 178.641 177.300 -0.042 0.000 1.163 448 P CA 2.679 65.835 63.100 0.093 0.000 0.894 448 P CB -0.245 31.588 31.700 0.223 0.000 0.791 449 E N 0.126 120.327 120.200 0.002 0.000 2.049 449 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 449 E C 2.223 178.762 176.600 -0.102 0.000 1.007 449 E CA 1.305 57.689 56.400 -0.027 0.000 0.809 449 E CB -1.622 28.084 29.700 0.010 0.000 0.749 449 E HN 0.276 nan 8.360 nan 0.000 0.450 450 L N 0.959 122.098 121.223 -0.141 0.000 2.042 450 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 450 L C 3.042 179.712 176.870 -0.335 0.000 1.076 450 L CA 2.038 56.738 54.840 -0.232 0.000 0.749 450 L CB -0.700 41.202 42.059 -0.262 0.000 0.893 450 L HN 0.250 nan 8.230 nan 0.000 0.432 451 R N -0.082 120.155 120.500 -0.438 0.000 2.148 451 R HA -0.150 4.190 4.340 -0.000 0.000 0.223 451 R C 1.386 177.525 176.300 -0.269 0.000 1.088 451 R CA 1.642 57.480 56.100 -0.435 0.000 0.985 451 R CB -0.337 29.622 30.300 -0.568 0.000 0.880 451 R HN 0.251 nan 8.270 nan 0.000 0.451 452 D N 1.434 121.721 120.400 -0.189 0.000 2.117 452 D HA -0.019 4.621 4.640 -0.000 0.000 0.198 452 D C 1.870 178.098 176.300 -0.120 0.000 0.982 452 D CA 1.743 55.676 54.000 -0.111 0.000 0.828 452 D CB -0.134 40.634 40.800 -0.052 0.000 0.967 452 D HN 0.402 nan 8.370 nan 0.000 0.464 453 A N 0.427 123.163 122.820 -0.140 0.000 2.019 453 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 453 A C 2.107 179.572 177.584 -0.198 0.000 1.164 453 A CA 0.754 52.709 52.037 -0.137 0.000 0.644 453 A CB -0.358 18.570 19.000 -0.120 0.000 0.805 453 A HN 0.159 nan 8.150 nan 0.000 0.449 454 I N 0.124 120.541 120.570 -0.255 0.000 2.339 454 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 454 I C 2.827 178.790 176.117 -0.257 0.000 1.096 454 I CA 1.773 62.883 61.300 -0.317 0.000 1.408 454 I CB -1.186 36.550 38.000 -0.440 0.000 1.092 454 I HN 0.522 nan 8.210 nan 0.000 0.423 455 S N 0.433 116.010 115.700 -0.205 0.000 2.442 455 S HA -0.151 4.319 4.470 -0.000 0.000 0.236 455 S C 1.727 176.277 174.600 -0.083 0.000 1.007 455 S CA 0.952 59.073 58.200 -0.131 0.000 0.965 455 S CB -0.211 62.935 63.200 -0.091 0.000 0.773 455 S HN 0.318 nan 8.310 nan 0.000 0.504 456 E N 1.559 121.701 120.200 -0.097 0.000 2.072 456 E HA 0.101 4.451 4.350 -0.000 0.000 0.190 456 E C 2.075 178.624 176.600 -0.084 0.000 0.982 456 E CA 0.809 57.169 56.400 -0.066 0.000 0.803 456 E CB -0.490 29.175 29.700 -0.057 0.000 0.755 456 E HN 0.558 nan 8.360 nan 0.000 0.453 457 L N 0.417 121.548 121.223 -0.153 0.000 2.141 457 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 457 L C 2.504 179.287 176.870 -0.145 0.000 1.094 457 L CA 0.551 55.277 54.840 -0.189 0.000 0.763 457 L CB -0.309 41.549 42.059 -0.335 0.000 0.908 457 L HN 0.134 nan 8.230 nan 0.000 0.437 458 L N -0.811 120.320 121.223 -0.152 0.000 1.994 458 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 458 L C 2.676 179.561 176.870 0.026 0.000 1.071 458 L CA 1.425 56.189 54.840 -0.126 0.000 0.745 458 L CB -0.523 41.399 42.059 -0.229 0.000 0.892 458 L HN 0.346 nan 8.230 nan 0.000 0.431 459 Q N -0.370 119.460 119.800 0.050 0.000 2.029 459 Q HA -0.309 4.031 4.340 -0.000 0.000 0.209 459 Q C 2.410 178.448 176.000 0.063 0.000 0.999 459 Q CA 2.001 57.855 55.803 0.086 0.000 0.857 459 Q CB -0.160 28.616 28.738 0.063 0.000 0.926 459 Q HN 0.307 nan 8.270 nan 0.000 0.415 460 R N 0.330 120.845 120.500 0.026 0.000 2.081 460 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 460 R C 2.188 178.505 176.300 0.028 0.000 1.131 460 R CA 1.370 57.483 56.100 0.022 0.000 0.960 460 R CB -0.132 30.171 30.300 0.005 0.000 0.856 460 R HN 0.319 nan 8.270 nan 0.000 0.436 461 E N 0.025 120.235 120.200 0.015 0.000 2.058 461 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 461 E C 1.741 178.387 176.600 0.077 0.000 0.997 461 E CA 1.475 57.895 56.400 0.033 0.000 0.801 461 E CB -0.087 29.618 29.700 0.009 0.000 0.746 461 E HN 0.427 nan 8.360 nan 0.000 0.450 462 A N 0.441 123.330 122.820 0.115 0.000 1.940 462 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 462 A C 2.203 179.839 177.584 0.086 0.000 1.176 462 A CA 1.784 53.904 52.037 0.138 0.000 0.631 462 A CB -0.691 18.420 19.000 0.186 0.000 0.814 462 A HN 0.361 nan 8.150 nan 0.000 0.446 463 G N -1.669 107.172 108.800 0.070 0.000 3.314 463 G HA2 0.394 4.354 3.960 -0.000 0.000 0.238 463 G HA3 0.394 4.354 3.960 -0.000 0.000 0.238 463 G C 0.959 175.886 174.900 0.044 0.000 1.184 463 G CA 0.083 45.215 45.100 0.052 0.000 0.806 463 G HN 0.377 nan 8.290 nan 0.000 0.536 464 L N -1.271 119.981 121.223 0.047 0.000 2.600 464 L HA 0.115 4.455 4.340 -0.000 0.000 0.213 464 L C 2.309 179.204 176.870 0.042 0.000 1.045 464 L CA 0.058 54.923 54.840 0.042 0.000 0.863 464 L CB -0.026 42.058 42.059 0.041 0.000 1.189 464 L HN 0.069 nan 8.230 nan 0.000 0.484 465 Q N 0.749 120.578 119.800 0.048 0.000 2.515 465 Q HA -0.179 4.161 4.340 -0.000 0.000 0.215 465 Q C 1.381 177.405 176.000 0.039 0.000 0.983 465 Q CA 0.989 56.819 55.803 0.046 0.000 0.905 465 Q CB 0.029 28.800 28.738 0.055 0.000 0.961 465 Q HN 0.588 nan 8.270 nan 0.000 0.503 466 E N 0.068 120.291 120.200 0.038 0.000 2.166 466 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 466 E C 1.705 178.322 176.600 0.027 0.000 0.967 466 E CA 0.506 56.924 56.400 0.031 0.000 0.840 466 E CB 0.178 29.897 29.700 0.032 0.000 0.795 466 E HN 0.415 nan 8.360 nan 0.000 0.470 467 I N 0.805 121.393 120.570 0.029 0.000 3.875 467 I HA 0.001 4.171 4.170 -0.000 0.000 0.329 467 I C 1.674 177.806 176.117 0.026 0.000 1.295 467 I CA 0.055 61.371 61.300 0.026 0.000 1.129 467 I CB 0.417 38.432 38.000 0.025 0.000 1.008 467 I HN -0.182 nan 8.210 nan 0.000 0.413 468 V N 0.604 120.535 119.914 0.028 0.000 3.125 468 V HA -0.113 4.007 4.120 -0.000 0.000 0.249 468 V C 2.438 178.547 176.094 0.025 0.000 1.113 468 V CA 1.074 63.391 62.300 0.028 0.000 1.106 468 V CB -0.137 31.705 31.823 0.032 0.000 0.768 468 V HN 0.516 nan 8.190 nan 0.000 0.468 469 Q N 0.207 120.022 119.800 0.025 0.000 2.170 469 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 469 Q C 1.701 177.713 176.000 0.020 0.000 0.976 469 Q CA 1.765 57.582 55.803 0.023 0.000 0.858 469 Q CB 0.091 28.842 28.738 0.023 0.000 0.907 469 Q HN 0.604 nan 8.270 nan 0.000 0.433 470 L N -0.572 120.662 121.223 0.019 0.000 2.858 470 L HA 0.214 4.554 4.340 -0.000 0.000 0.251 470 L C 0.864 177.743 176.870 0.016 0.000 1.149 470 L CA -0.199 54.651 54.840 0.017 0.000 0.955 470 L CB 1.730 43.798 42.059 0.016 0.000 1.289 470 L HN 0.018 nan 8.230 nan 0.000 0.542 471 V N -0.155 119.770 119.914 0.018 0.000 3.415 471 V HA 0.496 4.616 4.120 -0.000 0.000 0.315 471 V C 0.531 176.636 176.094 0.018 0.000 1.516 471 V CA 0.365 62.675 62.300 0.017 0.000 1.122 471 V CB 0.365 32.198 31.823 0.016 0.000 0.988 471 V HN 0.414 nan 8.190 nan 0.000 0.474 472 G N 2.240 111.051 108.800 0.019 0.000 2.881 472 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.681 472 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.681 472 G C -1.379 173.534 174.900 0.022 0.000 1.567 472 G CA -0.048 45.065 45.100 0.020 0.000 1.013 472 G HN 0.294 nan 8.290 nan 0.000 0.580 473 P HA 0.030 nan 4.420 nan 0.000 0.237 473 P C 0.768 178.082 177.300 0.024 0.000 1.178 473 P CA 1.452 64.567 63.100 0.026 0.000 0.766 473 P CB 0.057 31.774 31.700 0.028 0.000 0.876 474 D N 1.276 121.689 120.400 0.021 0.000 2.144 474 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 474 D C 1.848 178.159 176.300 0.018 0.000 0.978 474 D CA 1.079 55.090 54.000 0.019 0.000 0.833 474 D CB -0.910 39.900 40.800 0.017 0.000 0.961 474 D HN 0.115 nan 8.370 nan 0.000 0.470 475 A N 0.278 123.109 122.820 0.019 0.000 2.265 475 A HA 0.171 4.490 4.320 -0.000 0.000 0.213 475 A C 0.278 177.874 177.584 0.020 0.000 1.255 475 A CA -0.007 52.040 52.037 0.018 0.000 0.862 475 A CB -0.776 18.234 19.000 0.017 0.000 0.852 475 A HN 0.174 nan 8.150 nan 0.000 0.484 476 L N 0.661 121.898 121.223 0.022 0.000 2.257 476 L HA 0.214 4.554 4.340 -0.000 0.000 0.290 476 L C 0.838 177.722 176.870 0.024 0.000 1.044 476 L CA -0.528 54.328 54.840 0.025 0.000 0.810 476 L CB 0.958 43.035 42.059 0.030 0.000 1.193 476 L HN 0.392 nan 8.230 nan 0.000 0.425 477 Q N 1.673 121.486 119.800 0.023 0.000 2.540 477 Q HA -0.097 4.243 4.340 -0.000 0.000 0.256 477 Q C 0.255 176.270 176.000 0.024 0.000 1.084 477 Q CA 0.088 55.903 55.803 0.020 0.000 0.956 477 Q CB 0.941 29.690 28.738 0.018 0.000 1.303 477 Q HN 0.599 nan 8.270 nan 0.000 0.509 478 D N 1.675 122.086 120.400 0.019 0.000 2.104 478 D HA -0.158 4.481 4.640 -0.000 0.000 0.194 478 D C 1.443 177.762 176.300 0.032 0.000 0.994 478 D CA 1.814 55.828 54.000 0.023 0.000 0.830 478 D CB -0.329 40.478 40.800 0.012 0.000 0.959 478 D HN 0.659 nan 8.370 nan 0.000 0.452 479 A N 0.945 123.781 122.820 0.027 0.000 2.186 479 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 479 A C 1.854 179.482 177.584 0.073 0.000 1.159 479 A CA 1.236 53.297 52.037 0.041 0.000 0.680 479 A CB -0.209 18.807 19.000 0.027 0.000 0.787 479 A HN 0.099 nan 8.150 nan 0.000 0.467 480 E N -0.058 120.177 120.200 0.059 0.000 2.042 480 E HA -0.084 4.266 4.350 -0.000 0.000 0.189 480 E C 2.027 178.669 176.600 0.069 0.000 0.974 480 E CA 0.701 57.138 56.400 0.061 0.000 0.806 480 E CB -0.493 29.235 29.700 0.046 0.000 0.769 480 E HN 0.615 nan 8.360 nan 0.000 0.451 481 R N 0.427 120.964 120.500 0.063 0.000 2.170 481 R HA -0.149 4.191 4.340 -0.000 0.000 0.242 481 R C 2.276 178.631 176.300 0.093 0.000 1.145 481 R CA 0.731 56.872 56.100 0.067 0.000 0.984 481 R CB -0.209 30.125 30.300 0.058 0.000 0.869 481 R HN 0.061 nan 8.270 nan 0.000 0.455 482 L N -0.275 121.017 121.223 0.114 0.000 2.034 482 L HA -0.090 4.250 4.340 -0.000 0.000 0.203 482 L C 2.043 179.028 176.870 0.191 0.000 1.074 482 L CA 1.411 56.355 54.840 0.175 0.000 0.748 482 L CB -0.667 41.502 42.059 0.182 0.000 0.905 482 L HN -0.128 nan 8.230 nan 0.000 0.439 483 V N 0.329 120.347 119.914 0.174 0.000 2.250 483 V HA -0.407 3.713 4.120 -0.000 0.000 0.253 483 V C 2.577 178.689 176.094 0.029 0.000 1.065 483 V CA 2.602 64.956 62.300 0.089 0.000 1.039 483 V CB -0.531 31.337 31.823 0.075 0.000 0.647 483 V HN 0.460 nan 8.190 nan 0.000 0.446 484 I N -0.588 120.010 120.570 0.048 0.000 2.208 484 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 484 I C 2.526 178.663 176.117 0.034 0.000 1.097 484 I CA 1.461 62.783 61.300 0.037 0.000 1.363 484 I CB -0.358 37.670 38.000 0.047 0.000 1.051 484 I HN 0.364 nan 8.210 nan 0.000 0.413 485 E N -0.062 120.175 120.200 0.062 0.000 2.358 485 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 485 E C 2.169 178.793 176.600 0.040 0.000 1.010 485 E CA 0.701 57.141 56.400 0.067 0.000 0.856 485 E CB 0.235 30.003 29.700 0.112 0.000 0.795 485 E HN 0.319 nan 8.360 nan 0.000 0.504 486 V N -0.180 119.750 119.914 0.027 0.000 2.949 486 V HA 0.010 4.130 4.120 -0.000 0.000 0.245 486 V C 2.211 178.228 176.094 -0.128 0.000 1.086 486 V CA 1.288 63.557 62.300 -0.051 0.000 1.097 486 V CB -0.081 31.712 31.823 -0.049 0.000 0.762 486 V HN 0.260 nan 8.190 nan 0.000 0.470 487 G N 0.195 108.923 108.800 -0.121 0.000 2.513 487 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.219 487 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.219 487 G C 1.661 176.498 174.900 -0.105 0.000 1.160 487 G CA 1.343 46.363 45.100 -0.133 0.000 0.767 487 G HN 0.404 nan 8.290 nan 0.000 0.571 488 R N -0.126 120.346 120.500 -0.048 0.000 2.082 488 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 488 R C 2.591 178.862 176.300 -0.048 0.000 1.136 488 R CA 1.547 57.634 56.100 -0.022 0.000 0.935 488 R CB -0.366 29.936 30.300 0.003 0.000 0.842 488 R HN 0.308 nan 8.270 nan 0.000 0.430 489 I N 1.107 121.631 120.570 -0.077 0.000 2.194 489 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 489 I C 2.383 178.444 176.117 -0.094 0.000 1.093 489 I CA 1.555 62.792 61.300 -0.106 0.000 1.355 489 I CB -0.740 37.153 38.000 -0.178 0.000 1.046 489 I HN 0.311 nan 8.210 nan 0.000 0.413 490 I N 0.089 120.586 120.570 -0.122 0.000 2.252 490 I HA -0.260 3.909 4.170 -0.000 0.000 0.245 490 I C 2.783 178.860 176.117 -0.066 0.000 1.102 490 I CA 1.020 62.253 61.300 -0.112 0.000 1.385 490 I CB -0.408 37.454 38.000 -0.230 0.000 1.064 490 I HN 0.154 nan 8.210 nan 0.000 0.414 491 R N 0.900 121.336 120.500 -0.106 0.000 2.088 491 R HA -0.206 4.134 4.340 -0.000 0.000 0.232 491 R C 2.207 178.530 176.300 0.037 0.000 1.136 491 R CA 1.969 58.062 56.100 -0.011 0.000 0.926 491 R CB -0.527 29.802 30.300 0.049 0.000 0.837 491 R HN 0.450 nan 8.270 nan 0.000 0.429 492 E N -0.048 120.158 120.200 0.010 0.000 2.208 492 E HA -0.115 4.234 4.350 -0.000 0.000 0.193 492 E C 0.753 177.311 176.600 -0.071 0.000 0.988 492 E CA 1.022 57.411 56.400 -0.019 0.000 0.828 492 E CB 0.152 29.851 29.700 -0.002 0.000 0.763 492 E HN 0.386 nan 8.360 nan 0.000 0.478 493 D N -1.328 119.037 120.400 -0.058 0.000 2.433 493 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 493 D C 0.537 176.819 176.300 -0.031 0.000 1.114 493 D CA 0.069 54.025 54.000 -0.073 0.000 0.837 493 D CB 0.359 41.133 40.800 -0.044 0.000 0.984 493 D HN 0.110 nan 8.370 nan 0.000 0.505 494 F N 0.170 120.009 119.950 -0.185 0.000 2.754 494 F HA 0.251 4.778 4.527 -0.000 0.000 0.316 494 F C 1.335 177.019 175.800 -0.194 0.000 0.959 494 F CA 0.093 57.975 58.000 -0.198 0.000 1.148 494 F CB 0.365 39.250 39.000 -0.192 0.000 0.951 494 F HN -0.246 nan 8.300 nan 0.000 0.625 495 L N 0.223 121.388 121.223 -0.097 0.000 2.307 495 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 495 L C 0.367 177.090 176.870 -0.245 0.000 1.099 495 L CA 0.482 55.258 54.840 -0.108 0.000 0.816 495 L CB -0.456 41.677 42.059 0.124 0.000 0.952 495 L HN 0.017 nan 8.230 nan 0.000 0.455 496 Q N 1.251 120.860 119.800 -0.319 0.000 2.295 496 Q HA 0.184 4.524 4.340 -0.000 0.000 0.259 496 Q C -0.447 175.342 176.000 -0.352 0.000 0.976 496 Q CA 0.251 55.828 55.803 -0.378 0.000 0.923 496 Q CB 1.104 29.640 28.738 -0.338 0.000 1.185 496 Q HN 0.107 nan 8.270 nan 0.000 0.410 497 Q N 2.633 122.246 119.800 -0.310 0.000 2.320 497 Q HA 0.192 4.532 4.340 -0.000 0.000 0.268 497 Q C -1.182 174.660 176.000 -0.263 0.000 1.023 497 Q CA -0.641 54.965 55.803 -0.328 0.000 0.744 497 Q CB 0.995 29.538 28.738 -0.325 0.000 1.246 497 Q HN 0.443 nan 8.270 nan 0.000 0.462 498 N N 2.578 121.124 118.700 -0.257 0.000 2.431 498 N HA 0.114 4.854 4.740 -0.000 0.000 0.265 498 N C 0.039 175.433 175.510 -0.192 0.000 1.184 498 N CA 0.451 53.392 53.050 -0.183 0.000 0.943 498 N CB 1.518 39.990 38.487 -0.024 0.000 1.080 498 N HN 0.739 nan 8.380 nan 0.000 0.477 499 A N 4.282 126.893 122.820 -0.348 0.000 1.975 499 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 499 A C 0.948 178.434 177.584 -0.162 0.000 1.170 499 A CA 0.708 52.563 52.037 -0.303 0.000 0.656 499 A CB -0.434 18.329 19.000 -0.395 0.000 0.821 499 A HN 0.800 nan 8.150 nan 0.000 0.449 500 Y N -1.002 119.300 120.300 0.003 0.000 2.471 500 Y HA 0.144 4.694 4.550 -0.000 0.000 0.286 500 Y C 1.046 176.983 175.900 0.062 0.000 1.188 500 Y CA -0.324 57.787 58.100 0.019 0.000 1.286 500 Y CB -0.241 38.206 38.460 -0.021 0.000 1.072 500 Y HN 0.356 nan 8.280 nan 0.000 0.517 501 H N 1.869 120.985 119.070 0.076 0.000 2.525 501 H HA 0.042 4.598 4.556 -0.000 0.000 0.339 501 H C 0.665 176.032 175.328 0.065 0.000 1.109 501 H CA 0.075 56.171 56.048 0.081 0.000 1.352 501 H CB 1.278 31.109 29.762 0.115 0.000 1.461 501 H HN 0.350 nan 8.280 nan 0.000 0.533 502 E N 2.581 122.470 120.200 -0.519 0.000 2.268 502 E HA -0.083 4.266 4.350 -0.000 0.000 0.195 502 E C 0.905 177.422 176.600 -0.139 0.000 0.995 502 E CA 0.731 56.980 56.400 -0.252 0.000 0.836 502 E CB 0.546 30.095 29.700 -0.252 0.000 0.763 502 E HN 0.483 nan 8.360 nan 0.000 0.491 503 V N -0.315 119.542 119.914 -0.095 0.000 2.939 503 V HA -0.074 4.046 4.120 -0.000 0.000 0.228 503 V C 1.733 177.867 176.094 0.066 0.000 1.162 503 V CA 0.972 63.333 62.300 0.101 0.000 1.222 503 V CB -0.432 31.504 31.823 0.188 0.000 1.053 503 V HN 0.121 nan 8.190 nan 0.000 0.504 504 D N 0.965 121.512 120.400 0.244 0.000 2.357 504 D HA -0.136 4.504 4.640 -0.000 0.000 0.216 504 D C 1.942 178.095 176.300 -0.245 0.000 0.973 504 D CA 1.167 55.060 54.000 -0.179 0.000 0.912 504 D CB -0.004 40.522 40.800 -0.456 0.000 0.900 504 D HN 0.383 nan 8.370 nan 0.000 0.501 505 A N -0.836 121.884 122.820 -0.166 0.000 1.997 505 A HA -0.132 4.188 4.320 -0.000 0.000 0.221 505 A C 0.843 177.992 177.584 -0.725 0.000 1.172 505 A CA 1.263 53.103 52.037 -0.329 0.000 0.645 505 A CB -0.445 18.457 19.000 -0.163 0.000 0.813 505 A HN 0.485 nan 8.150 nan 0.000 0.454 506 Y N -1.329 118.420 120.300 -0.917 0.000 2.492 506 Y HA 0.571 5.121 4.550 -0.000 0.000 0.346 506 Y C -0.581 174.995 175.900 -0.541 0.000 0.997 506 Y CA -0.736 56.803 58.100 -0.935 0.000 1.025 506 Y CB 1.646 39.260 38.460 -1.409 0.000 1.263 506 Y HN -0.038 nan 8.280 nan 0.000 0.454 507 S N 3.551 118.504 115.700 -1.244 0.000 2.575 507 S HA 0.631 5.101 4.470 -0.000 0.000 0.278 507 S C -1.167 172.774 174.600 -1.098 0.000 1.139 507 S CA -0.380 57.200 58.200 -1.033 0.000 0.954 507 S CB 0.658 63.454 63.200 -0.673 0.000 1.054 507 S HN 0.984 nan 8.310 nan 0.000 0.483 508 S N 4.869 120.082 115.700 -0.812 0.000 2.707 508 S HA 0.440 4.910 4.470 -0.000 0.000 0.276 508 S C 1.543 176.027 174.600 -0.193 0.000 1.179 508 S CA -0.806 57.163 58.200 -0.385 0.000 0.992 508 S CB 0.472 63.607 63.200 -0.109 0.000 1.030 508 S HN 0.648 nan 8.310 nan 0.000 0.554 509 M N 0.909 120.489 119.600 -0.034 0.000 2.149 509 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 509 M C 2.062 178.404 176.300 0.069 0.000 1.064 509 M CA 1.766 57.101 55.300 0.058 0.000 1.102 509 M CB -1.789 30.886 32.600 0.125 0.000 1.369 509 M HN 0.940 nan 8.290 nan 0.000 0.408 510 K N 0.564 120.972 120.400 0.013 0.000 2.032 510 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 510 K C 2.201 178.805 176.600 0.007 0.000 1.048 510 K CA 1.672 57.967 56.287 0.013 0.000 0.927 510 K CB -0.108 32.393 32.500 0.002 0.000 0.712 510 K HN 0.240 nan 8.250 nan 0.000 0.441 511 K N -0.095 120.195 120.400 -0.183 0.000 2.097 511 K HA -0.066 4.253 4.320 -0.000 0.000 0.205 511 K C 1.956 178.342 176.600 -0.357 0.000 1.050 511 K CA 1.062 56.997 56.287 -0.587 0.000 0.938 511 K CB -0.137 31.854 32.500 -0.849 0.000 0.718 511 K HN 0.258 nan 8.250 nan 0.000 0.442 512 A N 0.197 122.919 122.820 -0.163 0.000 2.015 512 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 512 A C 1.950 179.637 177.584 0.170 0.000 1.163 512 A CA 1.132 53.200 52.037 0.051 0.000 0.646 512 A CB -0.686 18.346 19.000 0.054 0.000 0.806 512 A HN 0.592 nan 8.150 nan 0.000 0.448 513 Y N 0.555 120.858 120.300 0.006 0.000 2.220 513 Y HA 0.035 4.585 4.550 -0.000 0.000 0.291 513 Y C 2.348 178.191 175.900 -0.094 0.000 1.129 513 Y CA 1.313 59.397 58.100 -0.027 0.000 1.161 513 Y CB -0.594 37.860 38.460 -0.010 0.000 0.997 513 Y HN 0.225 nan 8.280 nan 0.000 0.522 514 G N 0.837 109.603 108.800 -0.057 0.000 2.414 514 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 514 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 514 G C 1.670 176.738 174.900 0.280 0.000 1.188 514 G CA 1.288 46.250 45.100 -0.230 0.000 0.783 514 G HN 0.476 nan 8.290 nan 0.000 0.537 515 I N 0.048 120.811 120.570 0.323 0.000 2.335 515 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 515 I C 2.766 178.935 176.117 0.086 0.000 1.129 515 I CA 1.061 62.532 61.300 0.285 0.000 1.402 515 I CB -0.261 37.898 38.000 0.266 0.000 1.069 515 I HN 0.211 nan 8.210 nan 0.000 0.424 516 M N 0.800 120.339 119.600 -0.101 0.000 2.064 516 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 516 M C 2.398 178.560 176.300 -0.229 0.000 1.073 516 M CA 1.869 56.950 55.300 -0.364 0.000 1.124 516 M CB -0.226 32.079 32.600 -0.492 0.000 1.326 516 M HN -0.066 nan 8.290 nan 0.000 0.410 517 K N -0.279 119.987 120.400 -0.223 0.000 2.074 517 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 517 K C 1.833 178.473 176.600 0.068 0.000 1.048 517 K CA 1.942 58.164 56.287 -0.110 0.000 0.926 517 K CB -0.127 32.324 32.500 -0.081 0.000 0.713 517 K HN 0.351 nan 8.250 nan 0.000 0.444 518 M N 0.305 120.018 119.600 0.187 0.000 2.080 518 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 518 M C 2.081 178.449 176.300 0.113 0.000 1.068 518 M CA 1.580 56.967 55.300 0.145 0.000 1.109 518 M CB -0.330 32.390 32.600 0.199 0.000 1.342 518 M HN 0.142 nan 8.290 nan 0.000 0.405 519 I N 0.213 120.809 120.570 0.044 0.000 2.099 519 I HA -0.333 3.837 4.170 -0.000 0.000 0.239 519 I C 2.264 178.449 176.117 0.113 0.000 1.066 519 I CA 1.549 62.856 61.300 0.012 0.000 1.324 519 I CB -0.509 37.417 38.000 -0.124 0.000 1.037 519 I HN 0.278 nan 8.210 nan 0.000 0.401 520 L N 0.269 121.514 121.223 0.037 0.000 2.141 520 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 520 L C 2.776 179.719 176.870 0.121 0.000 1.094 520 L CA 1.000 55.899 54.840 0.098 0.000 0.763 520 L CB -0.642 41.413 42.059 -0.007 0.000 0.908 520 L HN 0.258 nan 8.230 nan 0.000 0.437 521 A N 0.269 123.134 122.820 0.076 0.000 1.845 521 A HA -0.279 4.041 4.320 -0.000 0.000 0.215 521 A C 2.198 179.796 177.584 0.023 0.000 1.195 521 A CA 1.623 53.675 52.037 0.026 0.000 0.616 521 A CB -0.980 18.029 19.000 0.014 0.000 0.832 521 A HN 0.406 nan 8.150 nan 0.000 0.443 522 F N -0.773 119.174 119.950 -0.004 0.000 2.091 522 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 522 F C 2.159 177.940 175.800 -0.032 0.000 1.103 522 F CA 2.380 60.409 58.000 0.049 0.000 1.228 522 F CB -0.461 38.631 39.000 0.154 0.000 0.984 522 F HN 0.389 nan 8.300 nan 0.000 0.477 523 Y N 1.676 122.113 120.300 0.228 0.000 2.030 523 Y HA -0.278 4.271 4.550 -0.000 0.000 0.274 523 Y C 2.370 178.168 175.900 -0.169 0.000 1.153 523 Y CA 2.347 60.495 58.100 0.081 0.000 1.115 523 Y CB -0.902 37.598 38.460 0.067 0.000 0.969 523 Y HN 0.037 nan 8.280 nan 0.000 0.488 524 K N -0.135 120.066 120.400 -0.332 0.000 2.442 524 K HA -0.117 4.203 4.320 -0.000 0.000 0.198 524 K C 1.693 177.989 176.600 -0.507 0.000 1.042 524 K CA 0.971 56.984 56.287 -0.458 0.000 0.958 524 K CB 0.030 32.383 32.500 -0.245 0.000 0.766 524 K HN 0.425 nan 8.250 nan 0.000 0.474 525 E N -0.151 119.628 120.200 -0.701 0.000 2.250 525 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 525 E C 1.762 177.566 176.600 -1.328 0.000 0.986 525 E CA 0.421 56.183 56.400 -1.063 0.000 0.849 525 E CB 0.292 29.109 29.700 -1.472 0.000 0.797 525 E HN 0.249 nan 8.360 nan 0.000 0.482 526 A N 1.194 123.350 122.820 -1.107 0.000 1.970 526 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 526 A C 2.038 179.412 177.584 -0.351 0.000 1.170 526 A CA 0.892 52.620 52.037 -0.516 0.000 0.645 526 A CB -0.223 18.587 19.000 -0.317 0.000 0.816 526 A HN 0.125 nan 8.150 nan 0.000 0.447 527 E N -0.193 119.726 120.200 -0.468 0.000 2.077 527 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 527 E C 1.938 178.378 176.600 -0.266 0.000 0.989 527 E CA 0.993 57.157 56.400 -0.394 0.000 0.800 527 E CB -0.133 29.238 29.700 -0.547 0.000 0.746 527 E HN 0.569 nan 8.360 nan 0.000 0.452 528 A N 0.047 122.696 122.820 -0.285 0.000 2.218 528 A HA 0.232 4.552 4.320 -0.000 0.000 0.209 528 A C 1.922 179.418 177.584 -0.147 0.000 1.168 528 A CA 0.934 52.852 52.037 -0.199 0.000 0.804 528 A CB 0.041 18.919 19.000 -0.204 0.000 0.834 528 A HN 0.304 nan 8.150 nan 0.000 0.482 529 A N 0.673 123.403 122.820 -0.149 0.000 1.887 529 A HA 0.159 4.479 4.320 -0.000 0.000 0.212 529 A C 1.954 179.523 177.584 -0.026 0.000 1.198 529 A CA 1.105 53.117 52.037 -0.041 0.000 0.628 529 A CB -0.628 18.419 19.000 0.077 0.000 0.847 529 A HN 0.831 nan 8.150 nan 0.000 0.449 530 I N -1.291 119.255 120.570 -0.040 0.000 2.361 530 I HA -0.067 4.103 4.170 -0.000 0.000 0.251 530 I C 1.898 177.997 176.117 -0.031 0.000 1.133 530 I CA 2.242 63.528 61.300 -0.024 0.000 1.413 530 I CB -0.430 37.558 38.000 -0.020 0.000 1.073 530 I HN 0.185 nan 8.210 nan 0.000 0.424 531 K N 0.913 121.282 120.400 -0.051 0.000 2.442 531 K HA -0.043 4.277 4.320 -0.000 0.000 0.198 531 K C 2.023 178.600 176.600 -0.038 0.000 1.042 531 K CA 0.797 57.055 56.287 -0.048 0.000 0.958 531 K CB -0.017 32.443 32.500 -0.068 0.000 0.766 531 K HN 0.362 nan 8.250 nan 0.000 0.474 532 R N -1.175 119.304 120.500 -0.034 0.000 2.472 532 R HA 0.084 4.424 4.340 -0.000 0.000 0.279 532 R C 0.040 176.330 176.300 -0.017 0.000 0.953 532 R CA 0.615 56.699 56.100 -0.027 0.000 1.088 532 R CB 0.844 31.126 30.300 -0.029 0.000 1.197 532 R HN 0.331 nan 8.270 nan 0.000 0.536 533 G N 0.894 109.686 108.800 -0.014 0.000 2.142 533 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.225 533 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.225 533 G C -0.237 174.661 174.900 -0.004 0.000 1.015 533 G CA 0.127 45.222 45.100 -0.009 0.000 0.716 533 G HN 0.130 nan 8.290 nan 0.000 0.508 534 V N 0.511 120.425 119.914 -0.001 0.000 2.539 534 V HA 0.661 4.781 4.120 -0.000 0.000 0.292 534 V C 1.235 177.333 176.094 0.008 0.000 1.045 534 V CA 0.064 62.367 62.300 0.005 0.000 0.945 534 V CB 1.767 33.601 31.823 0.018 0.000 0.993 534 V HN 0.496 nan 8.190 nan 0.000 0.464 535 S N 3.414 119.117 115.700 0.005 0.000 2.515 535 S HA 0.177 4.647 4.470 -0.000 0.000 0.285 535 S C 1.314 175.925 174.600 0.019 0.000 1.265 535 S CA -0.460 57.746 58.200 0.009 0.000 1.079 535 S CB -0.147 63.055 63.200 0.003 0.000 0.877 535 S HN 0.517 nan 8.310 nan 0.000 0.493 536 I N 3.544 124.131 120.570 0.029 0.000 2.423 536 I HA -0.168 4.002 4.170 -0.000 0.000 0.254 536 I C 1.463 177.612 176.117 0.054 0.000 1.151 536 I CA 0.939 62.268 61.300 0.049 0.000 1.421 536 I CB -0.325 37.707 38.000 0.053 0.000 1.079 536 I HN 0.536 nan 8.210 nan 0.000 0.431 537 D N 0.669 121.091 120.400 0.037 0.000 2.194 537 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 537 D C 1.989 178.303 176.300 0.023 0.000 0.964 537 D CA 0.862 54.882 54.000 0.033 0.000 0.846 537 D CB -0.188 40.626 40.800 0.024 0.000 0.962 537 D HN 0.461 nan 8.370 nan 0.000 0.490 538 E N 0.629 120.833 120.200 0.008 0.000 2.072 538 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 538 E C 2.233 178.812 176.600 -0.035 0.000 0.982 538 E CA 0.356 56.746 56.400 -0.016 0.000 0.803 538 E CB 0.002 29.687 29.700 -0.025 0.000 0.755 538 E HN 0.168 nan 8.360 nan 0.000 0.453 539 I N 0.899 121.460 120.570 -0.015 0.000 2.118 539 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 539 I C 2.190 178.347 176.117 0.068 0.000 1.070 539 I CA 1.110 62.400 61.300 -0.017 0.000 1.327 539 I CB -0.181 37.866 38.000 0.078 0.000 1.034 539 I HN 0.200 nan 8.210 nan 0.000 0.405 540 L N 0.050 121.334 121.223 0.101 0.000 2.622 540 L HA -0.140 4.200 4.340 -0.000 0.000 0.233 540 L C 2.022 178.933 176.870 0.068 0.000 1.156 540 L CA 0.709 55.622 54.840 0.120 0.000 0.866 540 L CB -0.324 41.794 42.059 0.100 0.000 0.980 540 L HN 0.336 nan 8.230 nan 0.000 0.448 541 Q N -0.873 118.945 119.800 0.031 0.000 2.352 541 Q HA 0.176 4.516 4.340 -0.000 0.000 0.212 541 Q C 0.317 176.314 176.000 -0.005 0.000 0.888 541 Q CA -0.235 55.573 55.803 0.008 0.000 0.934 541 Q CB 0.568 29.301 28.738 -0.008 0.000 1.093 541 Q HN 0.415 nan 8.270 nan 0.000 0.523 542 L N 2.858 124.072 121.223 -0.014 0.000 2.584 542 L HA -0.004 4.335 4.340 -0.000 0.000 0.272 542 L C -1.646 175.224 176.870 0.000 0.000 1.195 542 L CA -0.973 53.839 54.840 -0.047 0.000 0.920 542 L CB 0.338 42.322 42.059 -0.124 0.000 1.173 542 L HN -0.051 nan 8.230 nan 0.000 0.489 543 P HA -0.104 nan 4.420 nan 0.000 0.239 543 P C 1.121 178.427 177.300 0.010 0.000 1.184 543 P CA 0.458 63.556 63.100 -0.003 0.000 0.760 543 P CB 0.249 31.940 31.700 -0.015 0.000 0.884 544 V N -1.025 118.902 119.914 0.021 0.000 3.647 544 V HA 0.061 4.181 4.120 -0.000 0.000 0.279 544 V C 1.598 177.736 176.094 0.073 0.000 1.314 544 V CA 0.447 62.774 62.300 0.044 0.000 1.125 544 V CB -0.867 30.986 31.823 0.050 0.000 0.907 544 V HN 0.023 nan 8.190 nan 0.000 0.434 545 L N -0.230 121.027 121.223 0.056 0.000 2.201 545 L HA -0.081 4.258 4.340 -0.000 0.000 0.212 545 L C 2.338 179.202 176.870 -0.010 0.000 1.105 545 L CA 1.391 56.216 54.840 -0.025 0.000 0.775 545 L CB -0.103 41.940 42.059 -0.027 0.000 0.913 545 L HN 0.333 nan 8.230 nan 0.000 0.440 546 E N -0.615 119.602 120.200 0.028 0.000 2.299 546 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 546 E C 2.059 178.723 176.600 0.107 0.000 0.998 546 E CA 0.283 56.716 56.400 0.054 0.000 0.851 546 E CB 0.181 29.910 29.700 0.048 0.000 0.795 546 E HN 0.049 nan 8.360 nan 0.000 0.492 547 R N 0.063 120.625 120.500 0.103 0.000 2.090 547 R HA 0.075 4.415 4.340 -0.000 0.000 0.228 547 R C 1.839 178.299 176.300 0.266 0.000 1.110 547 R CA 0.945 57.146 56.100 0.168 0.000 0.973 547 R CB -0.286 30.011 30.300 -0.006 0.000 0.869 547 R HN 0.230 nan 8.270 nan 0.000 0.440 548 I N -0.939 119.717 120.570 0.143 0.000 2.110 548 I HA -0.156 4.014 4.170 -0.000 0.000 0.236 548 I C 2.265 178.445 176.117 0.105 0.000 1.068 548 I CA 1.573 62.947 61.300 0.124 0.000 1.333 548 I CB -1.130 36.868 38.000 -0.002 0.000 1.054 548 I HN 0.334 nan 8.210 nan 0.000 0.402 549 G N 1.449 110.283 108.800 0.056 0.000 2.624 549 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.221 549 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.221 549 G C 1.476 176.429 174.900 0.088 0.000 1.169 549 G CA 0.795 45.923 45.100 0.047 0.000 0.771 549 G HN 0.201 nan 8.290 nan 0.000 0.598 550 R N 0.822 121.410 120.500 0.147 0.000 2.721 550 R HA 0.489 4.828 4.340 -0.000 0.000 0.296 550 R C 1.836 178.192 176.300 0.093 0.000 1.174 550 R CA 0.314 56.528 56.100 0.190 0.000 1.129 550 R CB -0.412 29.994 30.300 0.176 0.000 1.316 550 R HN 0.371 nan 8.270 nan 0.000 0.571 551 A N 1.205 124.059 122.820 0.058 0.000 1.861 551 A HA -0.124 4.196 4.320 -0.000 0.000 0.212 551 A C 2.010 179.529 177.584 -0.108 0.000 1.199 551 A CA 0.639 52.668 52.037 -0.012 0.000 0.613 551 A CB -0.201 18.970 19.000 0.284 0.000 0.846 551 A HN 0.363 nan 8.150 nan 0.000 0.446 552 R N -1.425 118.945 120.500 -0.217 0.000 2.316 552 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 552 R C 0.857 176.895 176.300 -0.436 0.000 1.137 552 R CA 1.841 57.693 56.100 -0.413 0.000 1.012 552 R CB -0.619 29.340 30.300 -0.567 0.000 0.859 552 R HN 0.609 nan 8.270 nan 0.000 0.474 553 Y N 0.529 120.720 120.300 -0.181 0.000 2.457 553 Y HA 0.242 4.792 4.550 -0.000 0.000 0.263 553 Y C 0.318 176.187 175.900 -0.050 0.000 1.164 553 Y CA -0.728 57.291 58.100 -0.134 0.000 1.274 553 Y CB 1.155 39.509 38.460 -0.177 0.000 1.097 553 Y HN -0.160 nan 8.280 nan 0.000 0.523 554 V N 0.860 120.767 119.914 -0.011 0.000 2.383 554 V HA 0.098 4.217 4.120 -0.000 0.000 0.275 554 V C 0.520 176.621 176.094 0.013 0.000 1.036 554 V CA -1.142 61.130 62.300 -0.046 0.000 0.889 554 V CB 1.260 32.920 31.823 -0.272 0.000 0.985 554 V HN 0.301 nan 8.190 nan 0.000 0.459 555 S N 3.186 118.913 115.700 0.046 0.000 2.777 555 S HA -0.182 4.288 4.470 -0.000 0.000 0.333 555 S C 1.286 175.930 174.600 0.074 0.000 1.226 555 S CA 0.880 59.115 58.200 0.057 0.000 1.011 555 S CB 0.286 63.526 63.200 0.067 0.000 0.697 555 S HN 0.937 nan 8.310 nan 0.000 0.481 556 E N 2.671 122.905 120.200 0.056 0.000 2.150 556 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 556 E C 1.680 178.357 176.600 0.128 0.000 0.985 556 E CA 1.871 58.304 56.400 0.056 0.000 0.814 556 E CB -0.036 29.701 29.700 0.063 0.000 0.752 556 E HN 0.829 nan 8.360 nan 0.000 0.466 557 E N 0.263 120.532 120.200 0.114 0.000 2.158 557 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 557 E C 1.347 178.030 176.600 0.138 0.000 0.982 557 E CA 1.010 57.479 56.400 0.114 0.000 0.823 557 E CB 0.031 29.781 29.700 0.083 0.000 0.766 557 E HN 0.336 nan 8.360 nan 0.000 0.468 558 E N -0.513 119.775 120.200 0.146 0.000 2.502 558 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 558 E C 0.971 177.701 176.600 0.216 0.000 1.062 558 E CA -0.130 56.361 56.400 0.153 0.000 0.867 558 E CB 0.005 29.780 29.700 0.125 0.000 0.888 558 E HN 0.213 nan 8.360 nan 0.000 0.510 559 F N 2.084 122.090 119.950 0.094 0.000 2.187 559 F HA 0.048 4.575 4.527 -0.000 0.000 0.295 559 F C -1.089 174.848 175.800 0.228 0.000 1.091 559 F CA 0.276 58.358 58.000 0.137 0.000 1.308 559 F CB -0.620 38.413 39.000 0.055 0.000 1.030 559 F HN -0.034 nan 8.300 nan 0.000 0.487 560 P HA -0.234 nan 4.420 nan 0.000 0.216 560 P C 1.425 178.774 177.300 0.082 0.000 1.154 560 P CA 2.595 65.773 63.100 0.130 0.000 0.865 560 P CB -0.309 31.480 31.700 0.148 0.000 0.789 561 A N -2.129 120.735 122.820 0.074 0.000 1.930 561 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 561 A C 2.248 179.835 177.584 0.006 0.000 1.176 561 A CA 1.056 53.120 52.037 0.045 0.000 0.632 561 A CB -1.758 17.277 19.000 0.058 0.000 0.819 561 A HN 0.139 nan 8.150 nan 0.000 0.445 562 Y N -0.983 119.247 120.300 -0.117 0.000 2.181 562 Y HA -0.211 4.339 4.550 -0.000 0.000 0.288 562 Y C 2.007 177.757 175.900 -0.251 0.000 1.146 562 Y CA 2.109 60.112 58.100 -0.161 0.000 1.164 562 Y CB -0.353 38.025 38.460 -0.136 0.000 0.982 562 Y HN 0.383 nan 8.280 nan 0.000 0.515 563 F N 0.805 120.498 119.950 -0.429 0.000 2.084 563 F HA -0.188 4.339 4.527 -0.000 0.000 0.296 563 F C 2.574 178.257 175.800 -0.194 0.000 1.111 563 F CA 2.086 59.849 58.000 -0.396 0.000 1.224 563 F CB -0.496 38.208 39.000 -0.492 0.000 0.991 563 F HN 0.100 nan 8.300 nan 0.000 0.471 564 E N 0.304 120.401 120.200 -0.171 0.000 2.085 564 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 564 E C 2.111 178.568 176.600 -0.237 0.000 0.994 564 E CA 1.750 58.032 56.400 -0.196 0.000 0.801 564 E CB -0.300 29.381 29.700 -0.033 0.000 0.743 564 E HN 0.670 nan 8.360 nan 0.000 0.453 565 E N -0.457 119.613 120.200 -0.217 0.000 2.072 565 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 565 E C 1.937 178.379 176.600 -0.262 0.000 0.982 565 E CA 0.805 57.078 56.400 -0.212 0.000 0.803 565 E CB -0.069 29.515 29.700 -0.193 0.000 0.755 565 E HN 0.315 nan 8.360 nan 0.000 0.453 566 A N 0.592 123.199 122.820 -0.355 0.000 1.930 566 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 566 A C 2.067 179.498 177.584 -0.255 0.000 1.175 566 A CA 1.399 53.247 52.037 -0.316 0.000 0.627 566 A CB -0.443 18.343 19.000 -0.356 0.000 0.815 566 A HN 0.320 nan 8.150 nan 0.000 0.443 567 M N -0.202 119.165 119.600 -0.388 0.000 2.159 567 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 567 M C 1.763 177.938 176.300 -0.208 0.000 1.063 567 M CA 1.764 56.842 55.300 -0.371 0.000 1.110 567 M CB -0.340 31.881 32.600 -0.632 0.000 1.374 567 M HN 0.336 nan 8.290 nan 0.000 0.411 568 K N -0.900 119.384 120.400 -0.193 0.000 2.288 568 K HA -0.124 4.195 4.320 -0.000 0.000 0.201 568 K C 1.838 178.386 176.600 -0.086 0.000 1.048 568 K CA 1.148 57.362 56.287 -0.121 0.000 0.956 568 K CB -0.019 32.413 32.500 -0.114 0.000 0.746 568 K HN 0.484 nan 8.250 nan 0.000 0.461 569 E N 0.538 120.681 120.200 -0.095 0.000 2.318 569 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 569 E C 1.605 178.203 176.600 -0.003 0.000 0.998 569 E CA 0.181 56.545 56.400 -0.061 0.000 0.859 569 E CB 0.243 29.891 29.700 -0.088 0.000 0.812 569 E HN 0.216 nan 8.360 nan 0.000 0.492 570 I N 1.213 121.797 120.570 0.023 0.000 2.315 570 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 570 I C 2.300 178.516 176.117 0.164 0.000 1.117 570 I CA 0.686 62.072 61.300 0.143 0.000 1.404 570 I CB -0.143 37.931 38.000 0.122 0.000 1.071 570 I HN 0.175 nan 8.210 nan 0.000 0.419 571 Q N 0.622 120.452 119.800 0.050 0.000 1.967 571 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 571 Q C 2.378 178.409 176.000 0.051 0.000 0.985 571 Q CA 1.992 57.815 55.803 0.033 0.000 0.839 571 Q CB -1.196 27.532 28.738 -0.016 0.000 0.906 571 Q HN 0.534 nan 8.270 nan 0.000 0.423 572 G N 0.868 109.677 108.800 0.014 0.000 2.422 572 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 572 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 572 G C 1.570 176.464 174.900 -0.011 0.000 1.146 572 G CA 1.265 46.362 45.100 -0.004 0.000 0.769 572 G HN 0.459 nan 8.290 nan 0.000 0.547 573 A N -0.232 122.575 122.820 -0.021 0.000 1.968 573 A HA 0.277 4.597 4.320 -0.000 0.000 0.217 573 A C 2.116 179.601 177.584 -0.165 0.000 1.169 573 A CA 0.885 52.863 52.037 -0.098 0.000 0.638 573 A CB -0.351 18.570 19.000 -0.131 0.000 0.812 573 A HN 0.332 nan 8.150 nan 0.000 0.446 574 F N -0.574 119.331 119.950 -0.076 0.000 2.270 574 F HA 0.050 4.577 4.527 -0.000 0.000 0.295 574 F C 2.205 177.956 175.800 -0.082 0.000 1.087 574 F CA 1.398 59.339 58.000 -0.099 0.000 1.365 574 F CB 0.203 39.120 39.000 -0.138 0.000 1.056 574 F HN 0.101 nan 8.300 nan 0.000 0.506 575 K N 0.944 121.409 120.400 0.109 0.000 2.148 575 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 575 K C 1.965 178.572 176.600 0.011 0.000 1.050 575 K CA 1.217 57.529 56.287 0.042 0.000 0.942 575 K CB -0.373 32.138 32.500 0.018 0.000 0.724 575 K HN 0.135 nan 8.250 nan 0.000 0.446 576 A N 0.469 123.283 122.820 -0.009 0.000 1.930 576 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 576 A C 0.907 178.470 177.584 -0.035 0.000 1.175 576 A CA 0.788 52.807 52.037 -0.030 0.000 0.627 576 A CB -0.466 18.505 19.000 -0.048 0.000 0.815 576 A HN 0.258 nan 8.150 nan 0.000 0.443 577 L N 1.351 122.549 121.223 -0.042 0.000 2.382 577 L HA 0.305 4.645 4.340 -0.000 0.000 0.259 577 L C 0.983 177.849 176.870 -0.007 0.000 1.291 577 L CA -0.590 54.226 54.840 -0.039 0.000 1.176 577 L CB -0.755 41.261 42.059 -0.072 0.000 1.373 577 L HN 0.378 nan 8.230 nan 0.000 0.426 578 A N 0.000 122.813 122.820 -0.011 0.000 2.254 578 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 578 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 578 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 578 A HN 0.000 nan 8.150 nan 0.000 0.486