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 2zc0_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDYTKYLAGR ANWIKGSALA DVMKKASELQ KKGVKLISLA AGDPDPELIP DATA SEQUENCE RAVLGEIAKE VLEKEPKSVM YTPANGIPEL REELAAFLKK YDHLEVSPEN DATA SEQUENCE IVITIGGTGA LDLLGRVLID PGDVVITENP SYINTLLAFE QLGAKIEGVP DATA SEQUENCE VDNDGMRVDL LEEKIKELKA KGQKVKLIYT IPTGQNPMGV TMSMERRKAL DATA SEQUENCE LEIASKYDLL IIEDTAYNFM RYEGGDIVPL KALDNEGRVI VAGTLSKVLG DATA SEQUENCE TGFRIGWIIA EGEILKKVLM QKQPIDFCAP AISQYIALEY LKRGYFEKYH DATA SEQUENCE LEGALLGYKE KRDIMLKALE NHLPNAEFTK PIAGMFVMFF LPEGADGISF DATA SEQUENCE ANELMEREGV VVVPGKPFYT DESGKNAIRL NFSRPSKEEI PIGIKKLAKL DATA SEQUENCE YKEKF 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 0.000 176.137 176.300 -0.272 0.000 1.140 1 M CA 0.000 55.161 55.300 -0.232 0.000 0.988 1 M CB 0.000 32.327 32.600 -0.455 0.000 1.302 2 D N 2.658 122.947 120.400 -0.186 0.000 2.468 2 D HA 0.256 4.896 4.640 -0.000 0.000 0.218 2 D C -0.089 176.210 176.300 -0.002 0.000 1.155 2 D CA 0.266 54.226 54.000 -0.067 0.000 0.924 2 D CB 0.185 40.960 40.800 -0.042 0.000 1.029 2 D HN 0.505 nan 8.370 nan 0.000 0.515 3 Y N 1.326 121.747 120.300 0.201 0.000 2.571 3 Y HA -0.081 4.469 4.550 -0.000 0.000 0.294 3 Y C 2.505 178.568 175.900 0.271 0.000 1.141 3 Y CA 0.497 58.796 58.100 0.332 0.000 1.308 3 Y CB 0.021 38.561 38.460 0.133 0.000 1.002 3 Y HN 0.297 nan 8.280 nan 0.000 0.551 4 T N 0.015 114.703 114.554 0.224 0.000 2.849 4 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 4 T C 1.761 176.465 174.700 0.007 0.000 1.066 4 T CA 1.408 63.568 62.100 0.100 0.000 1.130 4 T CB -0.146 68.751 68.868 0.048 0.000 0.864 4 T HN 0.367 nan 8.240 nan 0.000 0.481 5 K N -0.302 120.033 120.400 -0.109 0.000 2.365 5 K HA -0.021 4.298 4.320 -0.000 0.000 0.199 5 K C 1.264 177.618 176.600 -0.409 0.000 1.045 5 K CA 0.944 57.038 56.287 -0.322 0.000 0.962 5 K CB -0.009 32.172 32.500 -0.533 0.000 0.759 5 K HN 0.509 nan 8.250 nan 0.000 0.469 6 Y N 0.575 120.885 120.300 0.017 0.000 2.462 6 Y HA 0.157 4.707 4.550 -0.000 0.000 0.261 6 Y C 0.689 176.597 175.900 0.013 0.000 1.146 6 Y CA -0.415 57.699 58.100 0.023 0.000 1.283 6 Y CB -0.032 38.465 38.460 0.062 0.000 1.090 6 Y HN -0.140 nan 8.280 nan 0.000 0.526 7 L N 0.617 121.908 121.223 0.113 0.000 2.467 7 L HA 0.278 4.618 4.340 -0.000 0.000 0.270 7 L C 0.738 177.601 176.870 -0.010 0.000 1.205 7 L CA -0.610 54.261 54.840 0.051 0.000 0.828 7 L CB 0.373 42.447 42.059 0.025 0.000 1.101 7 L HN 0.117 nan 8.230 nan 0.000 0.479 8 A N 1.583 124.382 122.820 -0.034 0.000 2.322 8 A HA 0.437 4.757 4.320 -0.000 0.000 0.269 8 A C 1.220 178.714 177.584 -0.150 0.000 1.094 8 A CA 0.134 52.122 52.037 -0.082 0.000 0.807 8 A CB 0.714 19.666 19.000 -0.080 0.000 1.047 8 A HN 0.939 nan 8.150 nan 0.000 0.487 9 G N 0.713 109.393 108.800 -0.199 0.000 2.432 9 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 9 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 9 G C 1.360 175.955 174.900 -0.508 0.000 1.135 9 G CA 1.004 45.930 45.100 -0.289 0.000 0.767 9 G HN 0.921 nan 8.290 nan 0.000 0.550 10 R N 0.330 120.486 120.500 -0.573 0.000 2.328 10 R HA 0.361 4.701 4.340 -0.000 0.000 0.207 10 R C 2.365 178.428 176.300 -0.394 0.000 1.056 10 R CA 0.999 56.591 56.100 -0.847 0.000 1.016 10 R CB -0.347 29.628 30.300 -0.542 0.000 0.872 10 R HN 0.195 nan 8.270 nan 0.000 0.471 11 A N 1.816 124.494 122.820 -0.237 0.000 2.066 11 A HA -0.083 4.236 4.320 -0.000 0.000 0.218 11 A C 1.448 178.986 177.584 -0.077 0.000 1.157 11 A CA 1.057 53.036 52.037 -0.096 0.000 0.670 11 A CB -0.575 18.389 19.000 -0.059 0.000 0.804 11 A HN 0.550 nan 8.150 nan 0.000 0.453 12 N N -1.192 117.409 118.700 -0.165 0.000 2.512 12 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 12 N C 0.890 176.438 175.510 0.063 0.000 1.073 12 N CA 0.520 53.523 53.050 -0.078 0.000 0.911 12 N CB -0.062 38.355 38.487 -0.117 0.000 0.964 12 N HN 0.654 nan 8.380 nan 0.000 0.447 13 W N 1.257 122.556 121.300 -0.002 0.000 2.770 13 W HA 0.246 4.906 4.660 -0.000 0.000 0.256 13 W C 0.425 176.938 176.519 -0.010 0.000 1.291 13 W CA -0.281 57.061 57.345 -0.005 0.000 1.396 13 W CB -0.349 29.109 29.460 -0.003 0.000 1.114 13 W HN -0.075 nan 8.180 nan 0.000 0.637 14 I N 2.763 123.443 120.570 0.183 0.000 2.471 14 I HA 0.064 4.234 4.170 -0.000 0.000 0.286 14 I C 0.609 176.764 176.117 0.062 0.000 1.079 14 I CA 0.322 61.680 61.300 0.098 0.000 1.398 14 I CB 0.192 38.227 38.000 0.059 0.000 1.403 14 I HN -0.205 nan 8.210 nan 0.000 0.530 15 K N 4.436 124.857 120.400 0.036 0.000 2.466 15 K HA 0.728 5.048 4.320 -0.000 0.000 0.260 15 K C -0.176 176.419 176.600 -0.009 0.000 1.011 15 K CA -1.005 55.292 56.287 0.017 0.000 0.871 15 K CB 1.344 33.856 32.500 0.021 0.000 1.404 15 K HN 0.508 nan 8.250 nan 0.000 0.450 16 G N -0.089 108.705 108.800 -0.011 0.000 2.636 16 G HA2 0.236 4.196 3.960 -0.000 0.000 0.246 16 G HA3 0.236 4.196 3.960 -0.000 0.000 0.246 16 G C -0.845 174.028 174.900 -0.045 0.000 1.216 16 G CA -0.587 44.500 45.100 -0.023 0.000 0.854 16 G HN 0.419 nan 8.290 nan 0.000 0.572 17 S N -0.319 115.347 115.700 -0.056 0.000 2.456 17 S HA 0.512 4.982 4.470 -0.000 0.000 0.316 17 S C 1.233 175.793 174.600 -0.066 0.000 1.089 17 S CA 0.122 58.268 58.200 -0.089 0.000 1.101 17 S CB 1.305 64.439 63.200 -0.111 0.000 0.995 17 S HN 1.048 nan 8.310 nan 0.000 0.468 18 A N 4.610 127.387 122.820 -0.071 0.000 1.933 18 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 18 A C 2.453 180.031 177.584 -0.010 0.000 1.175 18 A CA 1.977 53.998 52.037 -0.027 0.000 0.628 18 A CB -1.422 17.573 19.000 -0.010 0.000 0.814 18 A HN 1.556 nan 8.150 nan 0.000 0.444 19 L N -1.745 119.449 121.223 -0.048 0.000 2.549 19 L HA 0.383 4.723 4.340 -0.000 0.000 0.229 19 L C 2.498 179.376 176.870 0.013 0.000 1.158 19 L CA 2.280 57.125 54.840 0.008 0.000 0.842 19 L CB -1.956 40.084 42.059 -0.032 0.000 0.952 19 L HN 0.686 nan 8.230 nan 0.000 0.452 20 A N -0.992 121.821 122.820 -0.012 0.000 2.085 20 A HA 0.280 4.600 4.320 -0.000 0.000 0.208 20 A C 2.111 179.698 177.584 0.006 0.000 1.191 20 A CA 1.361 53.396 52.037 -0.003 0.000 0.799 20 A CB -0.668 18.320 19.000 -0.020 0.000 0.877 20 A HN 0.684 nan 8.150 nan 0.000 0.473 21 D N -0.265 120.138 120.400 0.006 0.000 2.117 21 D HA 0.165 4.804 4.640 -0.000 0.000 0.198 21 D C 1.930 178.242 176.300 0.020 0.000 0.982 21 D CA 2.053 56.060 54.000 0.012 0.000 0.828 21 D CB -0.827 39.981 40.800 0.013 0.000 0.967 21 D HN 0.651 nan 8.370 nan 0.000 0.464 22 V N -0.289 119.642 119.914 0.029 0.000 2.591 22 V HA 0.300 4.420 4.120 -0.000 0.000 0.249 22 V C 3.059 179.172 176.094 0.032 0.000 1.053 22 V CA 3.083 65.403 62.300 0.034 0.000 1.068 22 V CB -1.038 30.814 31.823 0.049 0.000 0.689 22 V HN 0.646 nan 8.190 nan 0.000 0.462 23 M N -0.031 119.590 119.600 0.036 0.000 2.632 23 M HA 0.289 4.769 4.480 -0.000 0.000 0.256 23 M C 2.149 178.463 176.300 0.024 0.000 1.080 23 M CA 2.457 57.778 55.300 0.036 0.000 1.084 23 M CB -1.993 30.633 32.600 0.042 0.000 1.439 23 M HN 0.800 nan 8.290 nan 0.000 0.509 24 K N 0.066 120.478 120.400 0.019 0.000 2.329 24 K HA 0.433 4.753 4.320 -0.000 0.000 0.198 24 K C 2.269 178.875 176.600 0.011 0.000 1.085 24 K CA 1.275 57.570 56.287 0.013 0.000 0.961 24 K CB -1.073 31.433 32.500 0.009 0.000 0.971 24 K HN 0.766 nan 8.250 nan 0.000 0.502 25 K N 0.864 121.272 120.400 0.013 0.000 2.280 25 K HA 0.352 4.672 4.320 -0.000 0.000 0.202 25 K C 2.434 179.039 176.600 0.008 0.000 1.047 25 K CA 1.676 57.969 56.287 0.010 0.000 0.942 25 K CB -0.839 31.668 32.500 0.011 0.000 0.739 25 K HN 0.672 nan 8.250 nan 0.000 0.457 26 A N 0.302 123.128 122.820 0.011 0.000 1.943 26 A HA 0.359 4.679 4.320 -0.000 0.000 0.213 26 A C 2.821 180.410 177.584 0.008 0.000 1.181 26 A CA 1.545 53.587 52.037 0.009 0.000 0.653 26 A CB -0.641 18.367 19.000 0.014 0.000 0.833 26 A HN 0.715 nan 8.150 nan 0.000 0.451 27 S N -0.286 115.421 115.700 0.011 0.000 2.442 27 S HA 0.054 4.524 4.470 -0.000 0.000 0.236 27 S C 1.822 176.426 174.600 0.005 0.000 1.007 27 S CA 2.053 60.258 58.200 0.009 0.000 0.965 27 S CB -0.532 62.674 63.200 0.010 0.000 0.773 27 S HN 0.788 nan 8.310 nan 0.000 0.504 28 E N 0.163 120.366 120.200 0.005 0.000 2.076 28 E HA 0.343 4.693 4.350 -0.000 0.000 0.190 28 E C 2.341 178.941 176.600 0.001 0.000 0.979 28 E CA 1.330 57.732 56.400 0.003 0.000 0.807 28 E CB -1.507 28.195 29.700 0.003 0.000 0.761 28 E HN 1.117 nan 8.360 nan 0.000 0.454 29 L N -0.448 120.775 121.223 0.001 0.000 2.313 29 L HA 0.543 4.883 4.340 -0.000 0.000 0.214 29 L C 2.471 179.341 176.870 -0.001 0.000 1.119 29 L CA 1.780 56.619 54.840 -0.002 0.000 0.809 29 L CB -1.662 40.395 42.059 -0.004 0.000 0.933 29 L HN 0.701 nan 8.230 nan 0.000 0.449 30 Q N -0.160 119.641 119.800 0.001 0.000 2.810 30 Q HA 0.611 4.951 4.340 -0.000 0.000 0.236 30 Q C 0.817 176.818 176.000 0.002 0.000 1.278 30 Q CA 0.905 56.709 55.803 0.002 0.000 1.065 30 Q CB -0.392 28.348 28.738 0.005 0.000 1.364 30 Q HN 1.438 nan 8.270 nan 0.000 0.570 31 K N -1.465 118.936 120.400 0.001 0.000 1.317 31 K HA 0.178 4.498 4.320 -0.000 0.000 0.092 31 K C 1.193 177.793 176.600 -0.001 0.000 2.323 31 K CA 1.128 57.416 56.287 0.000 0.000 0.990 31 K CB -1.561 nan 32.500 nan 0.000 2.612 31 K HN 1.466 nan 8.250 nan 0.000 0.377 32 K N 0.909 121.309 120.400 -0.001 0.000 2.681 32 K HA 0.698 5.018 4.320 -0.000 0.000 0.211 32 K C 1.774 178.373 176.600 -0.002 0.000 1.075 32 K CA 1.114 57.400 56.287 -0.001 0.000 1.141 32 K CB -0.426 nan 32.500 nan 0.000 0.896 32 K HN 2.116 nan 8.250 nan 0.000 0.470 33 G N -1.126 107.673 108.800 -0.002 0.000 2.039 33 G HA2 0.305 4.265 3.960 -0.000 0.000 0.207 33 G HA3 0.305 4.265 3.960 -0.000 0.000 0.207 33 G C 0.872 175.770 174.900 -0.004 0.000 1.133 33 G CA 0.066 45.164 45.100 -0.003 0.000 1.296 33 G HN 1.512 nan 8.290 nan 0.000 0.459 34 V N 1.051 120.962 119.914 -0.005 0.000 3.014 34 V HA 0.375 4.495 4.120 -0.000 0.000 0.277 34 V C 0.840 176.931 176.094 -0.006 0.000 1.455 34 V CA 2.901 65.197 62.300 -0.007 0.000 1.467 34 V CB -0.770 31.048 31.823 -0.008 0.000 0.913 34 V HN 2.165 nan 8.190 nan 0.000 0.529 35 K N 3.616 124.012 120.400 -0.007 0.000 2.244 35 K HA 1.075 5.395 4.320 -0.000 0.000 0.260 35 K C -0.765 175.830 176.600 -0.008 0.000 0.951 35 K CA 0.215 56.499 56.287 -0.006 0.000 0.826 35 K CB 1.180 33.676 32.500 -0.006 0.000 1.108 35 K HN 2.677 nan 8.250 nan 0.000 0.433 36 L N -0.007 121.213 121.223 -0.006 0.000 2.466 36 L HA 0.924 5.264 4.340 -0.000 0.000 0.258 36 L C 0.092 176.960 176.870 -0.003 0.000 0.973 36 L CA -0.605 54.230 54.840 -0.008 0.000 0.826 36 L CB 0.589 42.642 42.059 -0.009 0.000 1.372 36 L HN 1.595 nan 8.230 nan 0.000 0.409 37 I N 1.380 121.947 120.570 -0.006 0.000 2.359 37 I HA 0.860 5.030 4.170 -0.000 0.000 0.294 37 I C 0.627 176.746 176.117 0.002 0.000 0.987 37 I CA -0.276 61.023 61.300 -0.000 0.000 1.225 37 I CB 1.144 39.141 38.000 -0.005 0.000 1.366 37 I HN 1.571 nan 8.210 nan 0.000 0.466 38 S N 4.186 119.895 115.700 0.014 0.000 2.509 38 S HA 0.773 5.243 4.470 -0.000 0.000 0.297 38 S C -0.361 174.259 174.600 0.032 0.000 1.118 38 S CA -0.346 57.867 58.200 0.022 0.000 1.074 38 S CB 1.593 64.813 63.200 0.033 0.000 1.038 38 S HN 0.812 nan 8.310 nan 0.000 0.498 39 L N 1.915 123.160 121.223 0.036 0.000 3.014 39 L HA 0.516 4.856 4.340 -0.000 0.000 0.263 39 L C 1.616 178.536 176.870 0.083 0.000 1.207 39 L CA 0.404 55.275 54.840 0.051 0.000 1.017 39 L CB -0.015 42.062 42.059 0.030 0.000 1.360 39 L HN 0.987 nan 8.230 nan 0.000 0.560 40 A N -0.866 122.005 122.820 0.085 0.000 2.140 40 A HA 0.600 4.920 4.320 -0.000 0.000 0.209 40 A C 1.485 179.160 177.584 0.153 0.000 1.181 40 A CA 0.497 52.602 52.037 0.114 0.000 0.824 40 A CB -0.060 18.995 19.000 0.090 0.000 0.879 40 A HN 0.242 nan 8.150 nan 0.000 0.480 41 A N -0.580 122.316 122.820 0.126 0.000 2.504 41 A HA 0.413 4.733 4.320 -0.000 0.000 0.242 41 A C 1.188 178.899 177.584 0.211 0.000 1.100 41 A CA 0.624 52.742 52.037 0.134 0.000 0.786 41 A CB -0.178 18.872 19.000 0.084 0.000 1.050 41 A HN 1.019 nan 8.150 nan 0.000 0.512 42 G N -0.816 108.104 108.800 0.200 0.000 3.815 42 G HA2 0.284 4.244 3.960 -0.000 0.000 0.265 42 G HA3 0.284 4.244 3.960 -0.000 0.000 0.265 42 G C -0.208 174.768 174.900 0.126 0.000 1.026 42 G CA -0.097 45.170 45.100 0.278 0.000 0.868 42 G HN 0.659 nan 8.290 nan 0.000 0.476 43 D N 1.597 122.044 120.400 0.077 0.000 2.312 43 D HA 0.297 4.937 4.640 -0.000 0.000 0.248 43 D C -2.174 174.145 176.300 0.032 0.000 1.086 43 D CA -0.804 53.233 54.000 0.062 0.000 0.948 43 D CB 2.376 43.218 40.800 0.070 0.000 1.162 43 D HN 0.075 nan 8.370 nan 0.000 0.446 44 P HA 0.130 nan 4.420 nan 0.000 0.278 44 P C -0.781 176.645 177.300 0.210 0.000 1.266 44 P CA -0.462 62.717 63.100 0.131 0.000 0.807 44 P CB 0.808 32.617 31.700 0.183 0.000 1.094 45 D N 1.115 121.722 120.400 0.346 0.000 2.358 45 D HA 0.067 4.707 4.640 -0.000 0.000 0.258 45 D C -1.063 175.326 176.300 0.147 0.000 1.223 45 D CA -1.821 52.300 54.000 0.201 0.000 0.886 45 D CB 0.487 41.374 40.800 0.144 0.000 1.120 45 D HN 0.154 nan 8.370 nan 0.000 0.482 46 P HA -0.146 nan 4.420 nan 0.000 0.222 46 P C 0.581 177.923 177.300 0.069 0.000 1.147 46 P CA 0.842 63.996 63.100 0.091 0.000 0.790 46 P CB 0.436 32.176 31.700 0.067 0.000 0.780 47 E N 0.026 120.256 120.200 0.050 0.000 2.216 47 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 47 E C 2.170 178.781 176.600 0.018 0.000 0.988 47 E CA 0.564 56.981 56.400 0.028 0.000 0.834 47 E CB -0.668 29.040 29.700 0.014 0.000 0.772 47 E HN 0.377 nan 8.360 nan 0.000 0.479 48 L N 0.487 121.713 121.223 0.005 0.000 2.478 48 L HA 0.109 4.449 4.340 -0.000 0.000 0.223 48 L C 1.030 177.927 176.870 0.046 0.000 1.140 48 L CA 0.151 54.967 54.840 -0.039 0.000 0.842 48 L CB 0.006 41.941 42.059 -0.206 0.000 0.953 48 L HN -0.044 nan 8.230 nan 0.000 0.452 49 I N 1.996 122.620 120.570 0.090 0.000 2.365 49 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 49 I C -1.656 174.500 176.117 0.065 0.000 1.004 49 I CA -1.807 59.565 61.300 0.120 0.000 1.311 49 I CB 1.320 39.408 38.000 0.145 0.000 1.401 49 I HN -0.181 nan 8.210 nan 0.000 0.491 50 P HA 0.100 nan 4.420 nan 0.000 0.235 50 P C 0.336 177.589 177.300 -0.079 0.000 1.765 50 P CA -0.037 62.978 63.100 -0.142 0.000 1.034 50 P CB -0.040 31.292 31.700 -0.613 0.000 1.984 51 R N 1.758 122.261 120.500 0.006 0.000 2.097 51 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 51 R C 2.225 178.539 176.300 0.023 0.000 1.135 51 R CA 1.927 58.054 56.100 0.045 0.000 0.934 51 R CB -1.321 29.011 30.300 0.053 0.000 0.846 51 R HN 0.314 nan 8.270 nan 0.000 0.431 52 A N 0.929 123.749 122.820 0.001 0.000 1.986 52 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 52 A C 2.407 179.982 177.584 -0.014 0.000 1.171 52 A CA 1.806 53.843 52.037 -0.000 0.000 0.640 52 A CB -0.510 18.489 19.000 -0.002 0.000 0.811 52 A HN 0.169 nan 8.150 nan 0.000 0.451 53 V N -0.378 119.491 119.914 -0.076 0.000 2.488 53 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 53 V C 2.405 178.500 176.094 0.002 0.000 1.046 53 V CA 1.518 63.754 62.300 -0.107 0.000 1.053 53 V CB -0.722 30.847 31.823 -0.422 0.000 0.679 53 V HN 0.550 nan 8.190 nan 0.000 0.458 54 L N 0.730 121.966 121.223 0.021 0.000 2.156 54 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 54 L C 2.639 179.575 176.870 0.110 0.000 1.095 54 L CA 1.436 56.332 54.840 0.093 0.000 0.770 54 L CB -1.020 41.119 42.059 0.134 0.000 0.914 54 L HN 0.460 nan 8.230 nan 0.000 0.439 55 G N -0.596 108.254 108.800 0.083 0.000 2.408 55 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 55 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 55 G C 1.514 176.451 174.900 0.061 0.000 1.150 55 G CA 0.308 45.451 45.100 0.072 0.000 0.776 55 G HN 0.234 nan 8.290 nan 0.000 0.542 56 E N 0.741 120.975 120.200 0.056 0.000 2.051 56 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 56 E C 2.635 179.274 176.600 0.064 0.000 0.991 56 E CA 0.821 57.254 56.400 0.055 0.000 0.799 56 E CB -0.269 29.466 29.700 0.059 0.000 0.748 56 E HN 0.512 nan 8.360 nan 0.000 0.449 57 I N 0.946 121.566 120.570 0.085 0.000 2.179 57 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 57 I C 2.679 178.841 176.117 0.073 0.000 1.088 57 I CA 1.170 62.520 61.300 0.084 0.000 1.357 57 I CB -0.506 37.559 38.000 0.109 0.000 1.051 57 I HN 0.063 nan 8.210 nan 0.000 0.409 58 A N 0.829 123.703 122.820 0.090 0.000 1.908 58 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 58 A C 2.426 180.042 177.584 0.053 0.000 1.181 58 A CA 1.856 53.947 52.037 0.090 0.000 0.627 58 A CB -0.514 18.554 19.000 0.113 0.000 0.818 58 A HN 0.277 nan 8.150 nan 0.000 0.445 59 K N 0.180 120.606 120.400 0.043 0.000 2.025 59 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 59 K C 1.966 178.572 176.600 0.011 0.000 1.049 59 K CA 1.968 58.270 56.287 0.024 0.000 0.933 59 K CB -0.357 32.157 32.500 0.024 0.000 0.714 59 K HN 0.668 nan 8.250 nan 0.000 0.438 60 E N 0.190 120.399 120.200 0.015 0.000 2.031 60 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 60 E C 1.995 178.581 176.600 -0.023 0.000 0.994 60 E CA 1.338 57.739 56.400 0.000 0.000 0.800 60 E CB -0.122 29.584 29.700 0.009 0.000 0.752 60 E HN 0.094 nan 8.360 nan 0.000 0.447 61 V N 1.028 120.928 119.914 -0.023 0.000 2.332 61 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 61 V C 2.259 178.290 176.094 -0.107 0.000 1.055 61 V CA 1.682 63.934 62.300 -0.080 0.000 1.038 61 V CB -0.302 31.494 31.823 -0.045 0.000 0.651 61 V HN 0.355 nan 8.190 nan 0.000 0.450 62 L N 0.375 121.567 121.223 -0.051 0.000 2.083 62 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 62 L C 2.684 179.521 176.870 -0.056 0.000 1.083 62 L CA 2.279 57.090 54.840 -0.049 0.000 0.752 62 L CB -0.493 41.556 42.059 -0.016 0.000 0.899 62 L HN 0.634 nan 8.230 nan 0.000 0.433 63 E N -1.172 119.001 120.200 -0.046 0.000 2.276 63 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 63 E C 1.849 178.418 176.600 -0.052 0.000 0.983 63 E CA 0.047 56.422 56.400 -0.041 0.000 0.861 63 E CB 0.123 29.807 29.700 -0.026 0.000 0.817 63 E HN 0.228 nan 8.360 nan 0.000 0.485 64 K N 0.792 121.152 120.400 -0.066 0.000 2.067 64 K HA 0.042 4.362 4.320 -0.000 0.000 0.203 64 K C 0.477 177.013 176.600 -0.107 0.000 1.048 64 K CA 0.734 56.977 56.287 -0.074 0.000 0.954 64 K CB 0.165 32.623 32.500 -0.070 0.000 0.737 64 K HN 0.036 nan 8.250 nan 0.000 0.444 65 E N 1.577 121.674 120.200 -0.172 0.000 2.092 65 E HA 0.116 4.466 4.350 -0.000 0.000 0.271 65 E C -2.016 174.460 176.600 -0.207 0.000 0.919 65 E CA -2.502 53.752 56.400 -0.243 0.000 0.760 65 E CB 1.556 30.960 29.700 -0.495 0.000 1.106 65 E HN -0.118 nan 8.360 nan 0.000 0.408 66 P HA -0.170 nan 4.420 nan 0.000 0.220 66 P C 0.332 177.591 177.300 -0.069 0.000 1.148 66 P CA 1.107 64.158 63.100 -0.082 0.000 0.803 66 P CB 0.358 32.027 31.700 -0.050 0.000 0.782 67 K N 0.609 120.965 120.400 -0.073 0.000 2.283 67 K HA -0.055 4.265 4.320 -0.000 0.000 0.202 67 K C 2.302 178.949 176.600 0.078 0.000 1.048 67 K CA 1.536 57.843 56.287 0.033 0.000 0.948 67 K CB -0.463 32.120 32.500 0.140 0.000 0.742 67 K HN 0.237 nan 8.250 nan 0.000 0.458 68 S N 0.351 115.979 115.700 -0.121 0.000 2.465 68 S HA -0.098 4.372 4.470 -0.000 0.000 0.241 68 S C 1.749 176.384 174.600 0.058 0.000 1.000 68 S CA 0.967 59.162 58.200 -0.008 0.000 0.964 68 S CB -0.016 63.085 63.200 -0.166 0.000 0.763 68 S HN 0.141 nan 8.310 nan 0.000 0.512 69 V N 0.070 119.985 119.914 0.002 0.000 3.528 69 V HA 0.476 4.596 4.120 -0.000 0.000 0.294 69 V C 0.192 176.247 176.094 -0.065 0.000 1.404 69 V CA -0.064 62.220 62.300 -0.027 0.000 1.065 69 V CB -0.062 31.733 31.823 -0.047 0.000 0.904 69 V HN 0.468 nan 8.190 nan 0.000 0.435 70 M N -1.273 118.308 119.600 -0.031 0.000 2.872 70 M HA 0.484 4.964 4.480 -0.000 0.000 0.290 70 M C -0.767 175.509 176.300 -0.040 0.000 1.180 70 M CA -0.859 54.386 55.300 -0.092 0.000 0.839 70 M CB 1.264 33.847 32.600 -0.027 0.000 1.667 70 M HN -0.028 nan 8.290 nan 0.000 0.512 71 Y N 0.251 120.542 120.300 -0.015 0.000 2.457 71 Y HA 0.161 4.711 4.550 -0.000 0.000 0.341 71 Y C 0.747 176.696 175.900 0.083 0.000 1.240 71 Y CA 0.351 58.450 58.100 -0.002 0.000 1.437 71 Y CB 0.403 38.852 38.460 -0.019 0.000 1.328 71 Y HN 0.428 nan 8.280 nan 0.000 0.588 72 T N 3.446 118.191 114.554 0.319 0.000 2.924 72 T HA 0.482 4.832 4.350 -0.000 0.000 0.291 72 T C -2.586 172.227 174.700 0.188 0.000 1.045 72 T CA -2.067 60.151 62.100 0.198 0.000 1.015 72 T CB 1.351 70.291 68.868 0.120 0.000 1.103 72 T HN 0.262 nan 8.240 nan 0.000 0.496 73 P HA 0.187 nan 4.420 nan 0.000 0.269 73 P C 0.118 177.458 177.300 0.066 0.000 1.217 73 P CA -0.048 63.098 63.100 0.077 0.000 0.783 73 P CB 0.349 32.076 31.700 0.045 0.000 0.898 74 A N 2.969 125.800 122.820 0.019 0.000 1.940 74 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 74 A C 1.530 179.128 177.584 0.023 0.000 1.176 74 A CA 2.113 54.150 52.037 -0.000 0.000 0.631 74 A CB -1.447 17.512 19.000 -0.069 0.000 0.814 74 A HN 0.822 nan 8.150 nan 0.000 0.446 75 N N -1.502 117.210 118.700 0.019 0.000 2.383 75 N HA 0.365 5.105 4.740 -0.000 0.000 0.192 75 N C 0.657 176.185 175.510 0.030 0.000 1.141 75 N CA 0.333 53.400 53.050 0.028 0.000 0.851 75 N CB 0.087 38.586 38.487 0.020 0.000 0.976 75 N HN 0.704 nan 8.380 nan 0.000 0.465 76 G N 1.684 110.501 108.800 0.028 0.000 2.663 76 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 76 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 76 G C -0.336 174.552 174.900 -0.021 0.000 1.246 76 G CA -0.491 44.613 45.100 0.006 0.000 0.795 76 G HN 0.449 nan 8.290 nan 0.000 0.627 77 I N -0.563 119.965 120.570 -0.070 0.000 2.683 77 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 77 I C -0.965 175.112 176.117 -0.066 0.000 1.175 77 I CA -1.513 59.737 61.300 -0.083 0.000 1.429 77 I CB 0.684 38.564 38.000 -0.200 0.000 1.371 77 I HN 0.254 nan 8.210 nan 0.000 0.569 78 P HA -0.208 nan 4.420 nan 0.000 0.217 78 P C 1.016 178.293 177.300 -0.038 0.000 1.151 78 P CA 1.638 64.723 63.100 -0.025 0.000 0.849 78 P CB 0.168 31.864 31.700 -0.006 0.000 0.787 79 E N -0.846 119.329 120.200 -0.043 0.000 2.106 79 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 79 E C 2.028 178.582 176.600 -0.076 0.000 0.984 79 E CA 0.688 57.062 56.400 -0.044 0.000 0.806 79 E CB -1.175 28.513 29.700 -0.020 0.000 0.750 79 E HN 0.215 nan 8.360 nan 0.000 0.458 80 L N 0.246 121.401 121.223 -0.112 0.000 2.093 80 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 80 L C 2.142 178.933 176.870 -0.132 0.000 1.085 80 L CA 1.237 55.994 54.840 -0.138 0.000 0.755 80 L CB 0.016 41.980 42.059 -0.159 0.000 0.904 80 L HN 0.083 nan 8.230 nan 0.000 0.435 81 R N -0.458 119.982 120.500 -0.100 0.000 2.115 81 R HA -0.127 4.213 4.340 -0.000 0.000 0.226 81 R C 2.039 178.287 176.300 -0.087 0.000 1.100 81 R CA 1.126 57.170 56.100 -0.094 0.000 0.980 81 R CB -0.070 30.197 30.300 -0.055 0.000 0.875 81 R HN 0.427 nan 8.270 nan 0.000 0.445 82 E N 0.266 120.426 120.200 -0.067 0.000 2.106 82 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 82 E C 1.774 178.341 176.600 -0.056 0.000 0.984 82 E CA 0.743 57.112 56.400 -0.051 0.000 0.806 82 E CB 0.155 29.833 29.700 -0.036 0.000 0.750 82 E HN 0.247 nan 8.360 nan 0.000 0.458 83 E N 0.705 120.863 120.200 -0.071 0.000 2.072 83 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 83 E C 2.258 178.815 176.600 -0.071 0.000 0.982 83 E CA 0.500 56.861 56.400 -0.066 0.000 0.803 83 E CB -0.093 29.554 29.700 -0.088 0.000 0.755 83 E HN 0.286 nan 8.360 nan 0.000 0.453 84 L N 0.602 121.735 121.223 -0.150 0.000 2.131 84 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 84 L C 2.467 179.272 176.870 -0.109 0.000 1.092 84 L CA 0.964 55.678 54.840 -0.210 0.000 0.759 84 L CB -0.408 41.396 42.059 -0.424 0.000 0.903 84 L HN 0.067 nan 8.230 nan 0.000 0.435 85 A N -0.044 122.716 122.820 -0.100 0.000 1.858 85 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 85 A C 2.484 180.044 177.584 -0.041 0.000 1.190 85 A CA 1.792 53.787 52.037 -0.070 0.000 0.617 85 A CB -0.720 18.246 19.000 -0.057 0.000 0.827 85 A HN 0.408 nan 8.150 nan 0.000 0.443 86 A N -1.447 121.361 122.820 -0.020 0.000 1.969 86 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 86 A C 2.055 179.645 177.584 0.010 0.000 1.169 86 A CA 1.414 53.442 52.037 -0.015 0.000 0.635 86 A CB -0.681 18.316 19.000 -0.004 0.000 0.810 86 A HN 0.738 nan 8.150 nan 0.000 0.445 87 F N 0.085 119.973 119.950 -0.103 0.000 2.134 87 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 87 F C 1.728 177.510 175.800 -0.030 0.000 1.097 87 F CA 1.421 59.373 58.000 -0.080 0.000 1.264 87 F CB -0.079 38.787 39.000 -0.222 0.000 1.001 87 F HN 0.142 nan 8.300 nan 0.000 0.479 88 L N 1.239 122.347 121.223 -0.191 0.000 2.056 88 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 88 L C 2.438 179.231 176.870 -0.128 0.000 1.078 88 L CA 1.811 56.546 54.840 -0.174 0.000 0.749 88 L CB -1.374 40.662 42.059 -0.038 0.000 0.901 88 L HN 0.225 nan 8.230 nan 0.000 0.433 89 K N -0.531 119.798 120.400 -0.118 0.000 2.148 89 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 89 K C 2.049 178.531 176.600 -0.198 0.000 1.050 89 K CA 1.205 57.415 56.287 -0.129 0.000 0.942 89 K CB 0.145 32.582 32.500 -0.106 0.000 0.724 89 K HN 0.217 nan 8.250 nan 0.000 0.446 90 K N -0.709 119.537 120.400 -0.256 0.000 2.044 90 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 90 K C 1.556 177.854 176.600 -0.503 0.000 1.045 90 K CA 1.305 57.332 56.287 -0.434 0.000 0.951 90 K CB 0.045 32.189 32.500 -0.593 0.000 0.738 90 K HN 0.200 nan 8.250 nan 0.000 0.443 91 Y N -0.787 119.407 120.300 -0.177 0.000 2.449 91 Y HA 0.082 4.632 4.550 -0.000 0.000 0.254 91 Y C 0.807 176.780 175.900 0.121 0.000 1.140 91 Y CA 0.050 58.136 58.100 -0.024 0.000 1.272 91 Y CB 0.686 39.083 38.460 -0.105 0.000 1.114 91 Y HN 0.011 nan 8.280 nan 0.000 0.525 92 D N -1.697 118.796 120.400 0.154 0.000 2.582 92 D HA 0.094 4.734 4.640 -0.000 0.000 0.246 92 D C -0.424 175.976 176.300 0.167 0.000 1.334 92 D CA 0.025 54.119 54.000 0.158 0.000 0.805 92 D CB -0.219 40.657 40.800 0.127 0.000 1.087 92 D HN 0.154 nan 8.370 nan 0.000 0.499 93 H N -1.069 117.997 119.070 -0.007 0.000 2.820 93 H HA -0.197 4.359 4.556 -0.000 0.000 0.295 93 H C -0.885 174.436 175.328 -0.013 0.000 1.187 93 H CA 0.495 56.534 56.048 -0.015 0.000 1.144 93 H CB -1.079 28.680 29.762 -0.004 0.000 1.354 93 H HN 0.118 nan 8.280 nan 0.000 0.395 94 L N 1.169 122.415 121.223 0.038 0.000 2.287 94 L HA 0.343 4.683 4.340 -0.000 0.000 0.287 94 L C 0.189 177.053 176.870 -0.010 0.000 1.022 94 L CA -0.465 54.394 54.840 0.031 0.000 0.814 94 L CB 1.507 43.597 42.059 0.052 0.000 1.217 94 L HN 0.237 nan 8.230 nan 0.000 0.420 95 E N 3.642 123.840 120.200 -0.004 0.000 2.069 95 E HA 0.353 4.703 4.350 -0.000 0.000 0.254 95 E C -1.320 175.278 176.600 -0.003 0.000 1.088 95 E CA -0.011 56.379 56.400 -0.016 0.000 1.017 95 E CB 0.468 30.159 29.700 -0.016 0.000 1.226 95 E HN 0.385 nan 8.360 nan 0.000 0.458 96 V N 2.728 122.639 119.914 -0.006 0.000 2.628 96 V HA 0.518 4.638 4.120 -0.000 0.000 0.306 96 V C -0.342 175.747 176.094 -0.009 0.000 1.045 96 V CA -0.666 61.636 62.300 0.003 0.000 0.905 96 V CB 2.068 33.900 31.823 0.016 0.000 0.997 96 V HN 0.536 nan 8.190 nan 0.000 0.436 97 S N 5.560 121.258 115.700 -0.002 0.000 2.580 97 S HA 0.412 4.882 4.470 -0.000 0.000 0.274 97 S C -1.696 172.897 174.600 -0.011 0.000 1.329 97 S CA -0.737 57.459 58.200 -0.007 0.000 1.036 97 S CB 1.407 64.607 63.200 -0.001 0.000 0.919 97 S HN 0.739 nan 8.310 nan 0.000 0.515 98 P HA -0.021 nan 4.420 nan 0.000 0.218 98 P C 0.899 178.192 177.300 -0.011 0.000 1.149 98 P CA 0.724 63.809 63.100 -0.024 0.000 0.817 98 P CB 0.128 31.812 31.700 -0.027 0.000 0.785 99 E N -0.865 119.333 120.200 -0.003 0.000 2.338 99 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 99 E C 1.016 177.623 176.600 0.013 0.000 1.007 99 E CA 0.678 57.080 56.400 0.004 0.000 0.849 99 E CB -0.762 28.940 29.700 0.003 0.000 0.774 99 E HN 0.425 nan 8.360 nan 0.000 0.506 100 N N 0.321 119.031 118.700 0.017 0.000 2.270 100 N HA 0.120 4.860 4.740 -0.000 0.000 0.198 100 N C 0.174 175.714 175.510 0.051 0.000 1.117 100 N CA 0.100 53.169 53.050 0.032 0.000 0.845 100 N CB 1.110 39.616 38.487 0.033 0.000 0.980 100 N HN 0.158 nan 8.380 nan 0.000 0.486 101 I N 1.132 121.726 120.570 0.039 0.000 2.412 101 I HA 0.282 4.452 4.170 -0.000 0.000 0.296 101 I C -0.399 175.762 176.117 0.073 0.000 0.987 101 I CA -0.756 60.582 61.300 0.063 0.000 1.180 101 I CB 2.191 40.189 38.000 -0.004 0.000 1.340 101 I HN -0.365 nan 8.210 nan 0.000 0.455 102 V N 6.597 126.587 119.914 0.125 0.000 2.482 102 V HA 0.346 4.466 4.120 -0.000 0.000 0.295 102 V C -0.062 176.127 176.094 0.158 0.000 1.026 102 V CA -0.650 61.715 62.300 0.108 0.000 0.856 102 V CB 1.856 33.733 31.823 0.090 0.000 1.001 102 V HN 0.394 nan 8.190 nan 0.000 0.424 103 I N 5.066 125.711 120.570 0.125 0.000 2.396 103 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 103 I C 0.869 177.059 176.117 0.121 0.000 1.056 103 I CA 0.503 61.893 61.300 0.150 0.000 1.365 103 I CB 0.913 38.968 38.000 0.091 0.000 1.407 103 I HN 0.799 nan 8.210 nan 0.000 0.509 104 T N 4.099 118.730 114.554 0.129 0.000 2.905 104 T HA 0.550 4.900 4.350 -0.000 0.000 0.283 104 T C 0.273 175.015 174.700 0.071 0.000 1.031 104 T CA -0.861 61.289 62.100 0.083 0.000 1.002 104 T CB 1.898 70.801 68.868 0.059 0.000 1.200 104 T HN 0.188 nan 8.240 nan 0.000 0.560 105 I N 2.418 123.022 120.570 0.056 0.000 2.501 105 I HA 0.322 4.492 4.170 -0.000 0.000 0.305 105 I C 1.645 177.779 176.117 0.029 0.000 1.197 105 I CA 0.828 62.158 61.300 0.051 0.000 1.793 105 I CB -1.678 36.351 38.000 0.049 0.000 1.521 105 I HN 1.181 nan 8.210 nan 0.000 0.843 106 G N 4.219 113.033 108.800 0.022 0.000 2.915 106 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.337 106 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.337 106 G C 0.954 175.808 174.900 -0.078 0.000 1.477 106 G CA -0.301 44.783 45.100 -0.027 0.000 0.916 106 G HN 0.714 nan 8.290 nan 0.000 0.550 107 G N -1.231 107.479 108.800 -0.150 0.000 2.450 107 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 107 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 107 G C 1.867 176.732 174.900 -0.058 0.000 1.130 107 G CA 2.333 47.333 45.100 -0.167 0.000 0.760 107 G HN 1.202 nan 8.290 nan 0.000 0.557 108 T N 0.943 115.488 114.554 -0.014 0.000 2.652 108 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 108 T C 2.521 177.223 174.700 0.004 0.000 1.039 108 T CA 1.567 63.675 62.100 0.013 0.000 1.153 108 T CB -0.656 68.229 68.868 0.028 0.000 0.863 108 T HN 0.363 nan 8.240 nan 0.000 0.428 109 G N 1.000 109.805 108.800 0.007 0.000 2.418 109 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.217 109 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.217 109 G C 1.826 176.740 174.900 0.022 0.000 1.158 109 G CA 0.961 46.073 45.100 0.019 0.000 0.771 109 G HN 0.590 nan 8.290 nan 0.000 0.545 110 A N 0.524 123.347 122.820 0.005 0.000 1.902 110 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 110 A C 2.331 179.941 177.584 0.042 0.000 1.181 110 A CA 1.282 53.326 52.037 0.012 0.000 0.623 110 A CB -0.363 18.614 19.000 -0.040 0.000 0.818 110 A HN 0.282 nan 8.150 nan 0.000 0.443 111 L N 0.109 121.356 121.223 0.040 0.000 2.093 111 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 111 L C 2.079 179.042 176.870 0.156 0.000 1.085 111 L CA 2.368 57.262 54.840 0.091 0.000 0.755 111 L CB -1.517 40.525 42.059 -0.029 0.000 0.904 111 L HN 0.611 nan 8.230 nan 0.000 0.435 112 D N -0.691 119.760 120.400 0.086 0.000 2.084 112 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 112 D C 2.197 178.542 176.300 0.075 0.000 0.985 112 D CA 0.815 54.869 54.000 0.090 0.000 0.826 112 D CB 0.196 41.025 40.800 0.048 0.000 0.978 112 D HN 0.007 nan 8.370 nan 0.000 0.456 113 L N 0.222 121.477 121.223 0.054 0.000 2.043 113 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 113 L C 2.302 179.192 176.870 0.033 0.000 1.075 113 L CA 1.188 56.051 54.840 0.038 0.000 0.752 113 L CB -1.132 40.949 42.059 0.036 0.000 0.891 113 L HN 0.267 nan 8.230 nan 0.000 0.432 114 L N -0.593 120.659 121.223 0.049 0.000 2.017 114 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 114 L C 2.515 179.369 176.870 -0.025 0.000 1.073 114 L CA 2.059 56.917 54.840 0.031 0.000 0.745 114 L CB -1.675 40.426 42.059 0.071 0.000 0.894 114 L HN 0.320 nan 8.230 nan 0.000 0.432 115 G N -1.269 107.520 108.800 -0.019 0.000 2.422 115 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 115 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 115 G C 1.814 176.654 174.900 -0.100 0.000 1.146 115 G CA 0.485 45.487 45.100 -0.164 0.000 0.769 115 G HN 0.305 nan 8.290 nan 0.000 0.547 116 R N -0.488 119.996 120.500 -0.026 0.000 2.096 116 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 116 R C 2.423 178.708 176.300 -0.025 0.000 1.127 116 R CA 1.023 57.115 56.100 -0.014 0.000 0.968 116 R CB -0.323 29.983 30.300 0.009 0.000 0.861 116 R HN 0.321 nan 8.270 nan 0.000 0.440 117 V N 0.517 120.414 119.914 -0.028 0.000 3.052 117 V HA -0.022 4.098 4.120 -0.000 0.000 0.254 117 V C 1.674 177.741 176.094 -0.044 0.000 1.100 117 V CA 1.112 63.395 62.300 -0.027 0.000 1.112 117 V CB 0.116 31.931 31.823 -0.014 0.000 0.738 117 V HN 0.260 nan 8.190 nan 0.000 0.469 118 L N -0.917 120.261 121.223 -0.075 0.000 2.664 118 L HA 0.390 4.729 4.340 -0.000 0.000 0.233 118 L C 0.241 177.032 176.870 -0.131 0.000 1.113 118 L CA 0.341 55.123 54.840 -0.095 0.000 0.896 118 L CB 0.534 42.529 42.059 -0.108 0.000 1.163 118 L HN 0.141 nan 8.230 nan 0.000 0.497 119 I N -0.203 120.278 120.570 -0.148 0.000 2.406 119 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 119 I C -0.843 175.213 176.117 -0.101 0.000 0.999 119 I CA -0.489 60.713 61.300 -0.164 0.000 1.124 119 I CB 1.964 39.812 38.000 -0.252 0.000 1.289 119 I HN -0.114 nan 8.210 nan 0.000 0.441 120 D N 7.501 127.848 120.400 -0.088 0.000 2.192 120 D HA 0.325 4.965 4.640 -0.000 0.000 0.246 120 D C -2.455 173.801 176.300 -0.073 0.000 1.042 120 D CA -1.318 52.652 54.000 -0.051 0.000 0.847 120 D CB 2.115 42.894 40.800 -0.035 0.000 1.186 120 D HN 0.099 nan 8.370 nan 0.000 0.461 121 P HA 0.037 nan 4.420 nan 0.000 0.260 121 P C 0.834 178.063 177.300 -0.118 0.000 1.172 121 P CA 0.863 63.891 63.100 -0.119 0.000 0.760 121 P CB 0.521 32.264 31.700 0.071 0.000 0.773 122 G N 2.436 111.115 108.800 -0.202 0.000 2.279 122 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.223 122 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.223 122 G C 0.027 174.856 174.900 -0.118 0.000 1.015 122 G CA -0.315 44.703 45.100 -0.138 0.000 0.621 122 G HN 0.508 nan 8.290 nan 0.000 0.506 123 D N 0.857 121.186 120.400 -0.117 0.000 2.571 123 D HA 0.358 4.998 4.640 -0.000 0.000 0.231 123 D C 0.628 176.864 176.300 -0.107 0.000 1.133 123 D CA 0.344 54.282 54.000 -0.103 0.000 0.862 123 D CB 1.402 42.131 40.800 -0.118 0.000 1.179 123 D HN 0.247 nan 8.370 nan 0.000 0.474 124 V N 2.959 122.826 119.914 -0.079 0.000 2.465 124 V HA 0.295 4.415 4.120 -0.000 0.000 0.279 124 V C 0.071 176.132 176.094 -0.056 0.000 1.045 124 V CA -0.548 61.714 62.300 -0.063 0.000 0.938 124 V CB 1.774 33.570 31.823 -0.045 0.000 0.986 124 V HN 0.340 nan 8.190 nan 0.000 0.467 125 V N 7.596 127.488 119.914 -0.036 0.000 2.487 125 V HA 0.706 4.826 4.120 -0.000 0.000 0.298 125 V C -0.482 175.645 176.094 0.056 0.000 1.028 125 V CA -0.682 61.616 62.300 -0.003 0.000 0.860 125 V CB 1.650 33.457 31.823 -0.027 0.000 0.991 125 V HN 0.838 nan 8.190 nan 0.000 0.427 126 I N 5.666 126.274 120.570 0.062 0.000 2.428 126 I HA 0.928 5.098 4.170 -0.000 0.000 0.296 126 I C 0.200 176.395 176.117 0.130 0.000 0.985 126 I CA 0.725 62.067 61.300 0.070 0.000 1.260 126 I CB 1.886 39.902 38.000 0.027 0.000 1.389 126 I HN 0.948 nan 8.210 nan 0.000 0.484 127 T N 1.585 116.215 114.554 0.126 0.000 2.804 127 T HA 0.575 4.924 4.350 -0.000 0.000 0.290 127 T C -0.313 174.435 174.700 0.079 0.000 1.099 127 T CA -0.897 61.300 62.100 0.161 0.000 1.011 127 T CB 0.895 69.910 68.868 0.245 0.000 1.291 127 T HN 0.740 nan 8.240 nan 0.000 0.523 128 E N 0.673 120.904 120.200 0.052 0.000 2.374 128 E HA 0.426 4.776 4.350 -0.000 0.000 0.260 128 E C -0.598 176.009 176.600 0.013 0.000 1.101 128 E CA -0.573 55.834 56.400 0.012 0.000 0.907 128 E CB 0.486 30.172 29.700 -0.023 0.000 1.014 128 E HN 0.572 nan 8.360 nan 0.000 0.427 129 N N 2.074 120.768 118.700 -0.011 0.000 2.491 129 N HA 0.260 5.000 4.740 -0.000 0.000 0.274 129 N C -2.706 172.727 175.510 -0.129 0.000 1.023 129 N CA -2.071 50.954 53.050 -0.042 0.000 0.902 129 N CB 1.215 39.730 38.487 0.047 0.000 1.267 129 N HN 0.146 nan 8.380 nan 0.000 0.503 130 P HA 0.255 nan 4.420 nan 0.000 0.297 130 P C -0.648 176.574 177.300 -0.131 0.000 1.303 130 P CA -0.343 62.482 63.100 -0.459 0.000 0.753 130 P CB 1.084 32.233 31.700 -0.918 0.000 1.281 131 S N -2.616 113.085 115.700 0.001 0.000 2.688 131 S HA 0.291 4.761 4.470 -0.000 0.000 0.275 131 S C -1.568 173.210 174.600 0.297 0.000 1.175 131 S CA -0.759 57.523 58.200 0.137 0.000 0.818 131 S CB 0.259 63.567 63.200 0.180 0.000 1.157 131 S HN 0.399 nan 8.310 nan 0.000 0.482 132 Y N 2.731 123.145 120.300 0.189 0.000 2.650 132 Y HA 0.192 4.742 4.550 -0.000 0.000 0.342 132 Y C 1.576 177.484 175.900 0.013 0.000 1.110 132 Y CA 0.086 58.296 58.100 0.183 0.000 1.438 132 Y CB 0.175 38.746 38.460 0.185 0.000 1.181 132 Y HN 0.716 nan 8.280 nan 0.000 0.526 133 I N 4.760 125.171 120.570 -0.266 0.000 2.185 133 I HA -0.446 3.724 4.170 -0.000 0.000 0.246 133 I C 1.210 176.922 176.117 -0.675 0.000 1.088 133 I CA 1.998 62.918 61.300 -0.634 0.000 1.347 133 I CB -0.022 37.324 38.000 -1.090 0.000 1.041 133 I HN 0.739 nan 8.210 nan 0.000 0.415 134 N N -0.049 118.006 118.700 -1.075 0.000 2.331 134 N HA -0.112 4.628 4.740 -0.000 0.000 0.180 134 N C 1.607 176.694 175.510 -0.706 0.000 1.019 134 N CA 1.588 54.115 53.050 -0.871 0.000 0.881 134 N CB -0.108 37.814 38.487 -0.942 0.000 0.972 134 N HN 0.342 nan 8.380 nan 0.000 0.435 135 T N 0.579 114.661 114.554 -0.787 0.000 2.896 135 T HA 0.087 4.437 4.350 -0.000 0.000 0.263 135 T C 1.891 176.068 174.700 -0.872 0.000 1.050 135 T CA 0.458 62.051 62.100 -0.845 0.000 1.140 135 T CB -0.053 68.253 68.868 -0.936 0.000 0.877 135 T HN 0.121 nan 8.240 nan 0.000 0.457 136 L N 0.388 121.286 121.223 -0.541 0.000 2.017 136 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 136 L C 2.432 179.156 176.870 -0.244 0.000 1.073 136 L CA 0.855 55.503 54.840 -0.321 0.000 0.745 136 L CB -0.630 41.311 42.059 -0.197 0.000 0.894 136 L HN 0.217 nan 8.230 nan 0.000 0.432 137 L N 0.180 121.238 121.223 -0.275 0.000 2.046 137 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 137 L C 2.783 179.569 176.870 -0.140 0.000 1.077 137 L CA 2.034 56.762 54.840 -0.187 0.000 0.747 137 L CB -1.185 40.745 42.059 -0.215 0.000 0.896 137 L HN 0.173 nan 8.230 nan 0.000 0.432 138 A N -1.090 121.600 122.820 -0.217 0.000 1.883 138 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 138 A C 2.121 179.755 177.584 0.084 0.000 1.186 138 A CA 1.736 53.708 52.037 -0.109 0.000 0.624 138 A CB -0.829 18.047 19.000 -0.206 0.000 0.822 138 A HN 0.351 nan 8.150 nan 0.000 0.444 139 F N 0.382 120.237 119.950 -0.158 0.000 2.186 139 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 139 F C 2.389 178.097 175.800 -0.153 0.000 1.090 139 F CA 1.011 58.919 58.000 -0.152 0.000 1.307 139 F CB -1.030 37.864 39.000 -0.176 0.000 1.019 139 F HN 0.409 nan 8.300 nan 0.000 0.489 140 E N 0.101 120.324 120.200 0.039 0.000 2.152 140 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 140 E C 1.977 178.540 176.600 -0.061 0.000 0.983 140 E CA 0.953 57.307 56.400 -0.075 0.000 0.818 140 E CB -0.366 29.291 29.700 -0.071 0.000 0.758 140 E HN 0.579 nan 8.360 nan 0.000 0.467 141 Q N 0.576 120.402 119.800 0.044 0.000 2.488 141 Q HA -0.044 4.296 4.340 -0.000 0.000 0.211 141 Q C 1.687 177.816 176.000 0.214 0.000 0.967 141 Q CA 0.708 56.610 55.803 0.164 0.000 0.926 141 Q CB -0.097 28.715 28.738 0.123 0.000 0.992 141 Q HN 0.296 nan 8.270 nan 0.000 0.506 142 L N 0.017 121.289 121.223 0.082 0.000 2.607 142 L HA 0.305 4.645 4.340 -0.000 0.000 0.228 142 L C 0.911 177.719 176.870 -0.103 0.000 1.123 142 L CA 0.386 55.267 54.840 0.068 0.000 0.890 142 L CB 0.292 42.366 42.059 0.025 0.000 1.103 142 L HN 0.538 nan 8.230 nan 0.000 0.468 143 G N 0.017 108.552 108.800 -0.442 0.000 2.157 143 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.239 143 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.239 143 G C 0.328 174.854 174.900 -0.623 0.000 0.982 143 G CA -0.038 44.409 45.100 -1.088 0.000 0.650 143 G HN 0.444 nan 8.290 nan 0.000 0.527 144 A N -0.146 122.456 122.820 -0.363 0.000 2.304 144 A HA 0.699 5.019 4.320 -0.000 0.000 0.271 144 A C 0.507 177.966 177.584 -0.209 0.000 1.091 144 A CA -0.093 51.797 52.037 -0.244 0.000 0.812 144 A CB 0.796 19.696 19.000 -0.166 0.000 1.056 144 A HN 0.218 nan 8.150 nan 0.000 0.489 145 K N 1.226 121.536 120.400 -0.150 0.000 2.235 145 K HA 0.488 4.808 4.320 -0.000 0.000 0.266 145 K C -1.488 175.083 176.600 -0.049 0.000 0.980 145 K CA -0.473 55.751 56.287 -0.104 0.000 0.849 145 K CB 0.842 33.287 32.500 -0.092 0.000 1.098 145 K HN 0.500 nan 8.250 nan 0.000 0.445 146 I N 3.473 124.030 120.570 -0.022 0.000 2.353 146 I HA 0.195 4.365 4.170 -0.000 0.000 0.293 146 I C 0.098 176.225 176.117 0.017 0.000 0.992 146 I CA -0.208 61.103 61.300 0.018 0.000 1.268 146 I CB 1.351 39.370 38.000 0.031 0.000 1.387 146 I HN 0.304 nan 8.210 nan 0.000 0.478 147 E N 4.793 125.009 120.200 0.027 0.000 2.220 147 E HA 0.509 4.859 4.350 -0.000 0.000 0.256 147 E C -0.148 176.474 176.600 0.036 0.000 0.881 147 E CA -0.389 56.024 56.400 0.022 0.000 0.766 147 E CB 1.971 31.674 29.700 0.004 0.000 1.187 147 E HN 0.731 nan 8.360 nan 0.000 0.419 148 G N 0.948 109.773 108.800 0.041 0.000 2.451 148 G HA2 0.516 4.476 3.960 -0.000 0.000 0.303 148 G HA3 0.516 4.476 3.960 -0.000 0.000 0.303 148 G C -0.603 174.318 174.900 0.035 0.000 1.166 148 G CA -0.363 44.765 45.100 0.047 0.000 0.884 148 G HN 0.241 nan 8.290 nan 0.000 0.514 149 V N 2.453 122.385 119.914 0.030 0.000 2.531 149 V HA 0.334 4.454 4.120 -0.000 0.000 0.301 149 V C -2.151 173.956 176.094 0.021 0.000 1.034 149 V CA -1.483 60.829 62.300 0.020 0.000 0.865 149 V CB 2.344 34.173 31.823 0.010 0.000 0.995 149 V HN 0.574 nan 8.190 nan 0.000 0.424 150 P HA 0.149 nan 4.420 nan 0.000 0.267 150 P C -0.592 176.718 177.300 0.016 0.000 1.200 150 P CA 0.276 63.395 63.100 0.031 0.000 0.772 150 P CB 0.582 32.300 31.700 0.030 0.000 0.855 151 V N -0.905 119.020 119.914 0.018 0.000 3.113 151 V HA 0.883 5.003 4.120 -0.000 0.000 0.316 151 V C -0.642 175.461 176.094 0.014 0.000 1.125 151 V CA -0.763 61.544 62.300 0.010 0.000 1.026 151 V CB 2.177 34.002 31.823 0.004 0.000 1.080 151 V HN 0.624 nan 8.190 nan 0.000 0.444 152 D N -0.600 119.806 120.400 0.009 0.000 2.895 152 D HA 0.340 4.980 4.640 -0.000 0.000 0.320 152 D C 0.400 176.707 176.300 0.012 0.000 1.249 152 D CA -0.624 53.380 54.000 0.006 0.000 0.997 152 D CB 0.245 41.040 40.800 -0.008 0.000 1.430 152 D HN 0.263 nan 8.370 nan 0.000 0.558 153 N N -0.472 118.232 118.700 0.007 0.000 2.513 153 N HA -0.094 4.646 4.740 -0.000 0.000 0.187 153 N C -0.236 175.281 175.510 0.012 0.000 1.056 153 N CA 0.901 53.959 53.050 0.014 0.000 0.907 153 N CB -0.093 38.396 38.487 0.004 0.000 0.954 153 N HN 0.392 nan 8.380 nan 0.000 0.445 154 D N -0.238 120.165 120.400 0.005 0.000 2.462 154 D HA 0.233 4.873 4.640 -0.000 0.000 0.221 154 D C 1.261 177.561 176.300 -0.000 0.000 1.173 154 D CA 0.130 54.131 54.000 0.002 0.000 0.831 154 D CB 0.840 41.639 40.800 -0.001 0.000 1.001 154 D HN 0.211 nan 8.370 nan 0.000 0.499 155 G N 1.498 110.299 108.800 0.002 0.000 2.545 155 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 155 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 155 G C 0.000 174.897 174.900 -0.005 0.000 1.314 155 G CA -0.328 44.769 45.100 -0.004 0.000 0.906 155 G HN 0.213 nan 8.290 nan 0.000 0.563 156 M N 0.700 120.293 119.600 -0.011 0.000 2.250 156 M HA 0.248 4.728 4.480 -0.000 0.000 0.337 156 M C 0.645 176.943 176.300 -0.003 0.000 1.161 156 M CA 0.080 55.375 55.300 -0.008 0.000 1.088 156 M CB 0.228 32.820 32.600 -0.013 0.000 1.639 156 M HN 0.477 nan 8.290 nan 0.000 0.447 157 R N 4.585 125.085 120.500 -0.000 0.000 2.419 157 R HA 0.139 4.478 4.340 -0.000 0.000 0.305 157 R C 0.759 177.061 176.300 0.003 0.000 1.242 157 R CA -0.073 56.027 56.100 0.001 0.000 1.105 157 R CB -0.324 29.977 30.300 0.001 0.000 1.116 157 R HN 0.735 nan 8.270 nan 0.000 0.523 158 V N 1.947 121.864 119.914 0.005 0.000 2.546 158 V HA -0.287 3.833 4.120 -0.000 0.000 0.254 158 V C 2.044 178.147 176.094 0.016 0.000 1.076 158 V CA 2.254 64.561 62.300 0.011 0.000 1.087 158 V CB -0.449 31.383 31.823 0.015 0.000 0.674 158 V HN 0.642 nan 8.190 nan 0.000 0.470 159 D N 0.311 120.718 120.400 0.012 0.000 2.149 159 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 159 D C 1.964 178.269 176.300 0.007 0.000 0.972 159 D CA 1.083 55.092 54.000 0.014 0.000 0.835 159 D CB -0.319 40.487 40.800 0.010 0.000 0.966 159 D HN 0.453 nan 8.370 nan 0.000 0.476 160 L N 0.199 121.423 121.223 0.002 0.000 2.291 160 L HA 0.034 4.374 4.340 -0.000 0.000 0.214 160 L C 2.716 179.579 176.870 -0.012 0.000 1.120 160 L CA 0.143 54.981 54.840 -0.003 0.000 0.799 160 L CB -0.265 41.794 42.059 -0.001 0.000 0.925 160 L HN 0.052 nan 8.230 nan 0.000 0.446 161 L N 0.348 121.565 121.223 -0.010 0.000 1.994 161 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 161 L C 2.555 179.392 176.870 -0.055 0.000 1.071 161 L CA 1.842 56.669 54.840 -0.022 0.000 0.745 161 L CB -0.153 41.902 42.059 -0.006 0.000 0.892 161 L HN 0.372 nan 8.230 nan 0.000 0.431 162 E N -0.310 119.871 120.200 -0.032 0.000 2.118 162 E HA -0.328 4.022 4.350 -0.000 0.000 0.195 162 E C 1.942 178.483 176.600 -0.097 0.000 0.992 162 E CA 1.579 57.943 56.400 -0.059 0.000 0.804 162 E CB 0.074 29.814 29.700 0.067 0.000 0.741 162 E HN 0.439 nan 8.360 nan 0.000 0.458 163 E N 0.994 121.165 120.200 -0.047 0.000 2.106 163 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 163 E C 1.854 178.416 176.600 -0.064 0.000 0.984 163 E CA 1.583 57.958 56.400 -0.041 0.000 0.806 163 E CB -0.148 29.541 29.700 -0.017 0.000 0.750 163 E HN 0.073 nan 8.360 nan 0.000 0.458 164 K N 0.577 120.937 120.400 -0.066 0.000 2.057 164 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 164 K C 2.005 178.541 176.600 -0.106 0.000 1.049 164 K CA 1.649 57.898 56.287 -0.065 0.000 0.931 164 K CB -0.549 31.924 32.500 -0.045 0.000 0.714 164 K HN 0.287 nan 8.250 nan 0.000 0.440 165 I N 0.642 121.105 120.570 -0.178 0.000 2.226 165 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 165 I C 2.090 178.050 176.117 -0.261 0.000 1.100 165 I CA 1.540 62.672 61.300 -0.281 0.000 1.374 165 I CB -0.221 37.448 38.000 -0.552 0.000 1.057 165 I HN 0.187 nan 8.210 nan 0.000 0.413 166 K N 0.505 120.768 120.400 -0.229 0.000 2.057 166 K HA -0.217 4.103 4.320 -0.000 0.000 0.206 166 K C 2.061 178.623 176.600 -0.063 0.000 1.050 166 K CA 1.446 57.663 56.287 -0.117 0.000 0.935 166 K CB -0.199 32.269 32.500 -0.052 0.000 0.715 166 K HN 0.333 nan 8.250 nan 0.000 0.439 167 E N 0.915 121.080 120.200 -0.059 0.000 2.077 167 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 167 E C 1.865 178.443 176.600 -0.037 0.000 0.989 167 E CA 0.874 57.252 56.400 -0.036 0.000 0.800 167 E CB 0.091 29.773 29.700 -0.031 0.000 0.746 167 E HN 0.041 nan 8.360 nan 0.000 0.452 168 L N 1.473 122.664 121.223 -0.053 0.000 1.994 168 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 168 L C 2.290 179.137 176.870 -0.038 0.000 1.071 168 L CA 1.857 56.670 54.840 -0.046 0.000 0.745 168 L CB -0.556 41.468 42.059 -0.058 0.000 0.892 168 L HN 0.063 nan 8.230 nan 0.000 0.431 169 K N -1.027 119.346 120.400 -0.046 0.000 2.148 169 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 169 K C 1.996 178.591 176.600 -0.009 0.000 1.050 169 K CA 1.120 57.394 56.287 -0.023 0.000 0.942 169 K CB -0.256 32.235 32.500 -0.015 0.000 0.724 169 K HN 0.315 nan 8.250 nan 0.000 0.446 170 A N 1.755 124.568 122.820 -0.011 0.000 2.070 170 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 170 A C 1.608 179.190 177.584 -0.004 0.000 1.159 170 A CA 1.340 53.375 52.037 -0.003 0.000 0.656 170 A CB -0.170 18.828 19.000 -0.004 0.000 0.800 170 A HN 0.211 nan 8.150 nan 0.000 0.453 171 K N -1.509 118.885 120.400 -0.009 0.000 2.426 171 K HA 0.255 4.575 4.320 -0.000 0.000 0.193 171 K C 0.966 177.562 176.600 -0.007 0.000 1.028 171 K CA 0.456 56.739 56.287 -0.008 0.000 1.047 171 K CB 0.067 32.560 32.500 -0.011 0.000 0.821 171 K HN 0.614 nan 8.250 nan 0.000 0.513 172 G N 1.612 110.408 108.800 -0.006 0.000 2.137 172 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.237 172 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.237 172 G C -0.304 174.591 174.900 -0.008 0.000 1.002 172 G CA -0.284 44.814 45.100 -0.004 0.000 0.702 172 G HN 0.133 nan 8.290 nan 0.000 0.515 173 Q N -0.025 119.766 119.800 -0.014 0.000 2.293 173 Q HA 0.332 4.672 4.340 -0.000 0.000 0.251 173 Q C 0.414 176.401 176.000 -0.021 0.000 0.930 173 Q CA -0.147 55.644 55.803 -0.020 0.000 0.893 173 Q CB 1.384 30.107 28.738 -0.025 0.000 1.215 173 Q HN 0.515 nan 8.270 nan 0.000 0.425 174 K N 1.716 122.103 120.400 -0.023 0.000 2.262 174 K HA 0.346 4.666 4.320 -0.000 0.000 0.282 174 K C -1.000 175.581 176.600 -0.031 0.000 1.066 174 K CA -0.289 55.985 56.287 -0.022 0.000 0.901 174 K CB 0.821 33.307 32.500 -0.023 0.000 1.089 174 K HN 0.357 nan 8.250 nan 0.000 0.476 175 V N 4.746 124.645 119.914 -0.026 0.000 2.628 175 V HA 0.383 4.503 4.120 -0.000 0.000 0.306 175 V C -0.010 176.072 176.094 -0.020 0.000 1.045 175 V CA -0.208 62.074 62.300 -0.030 0.000 0.905 175 V CB 1.699 33.498 31.823 -0.040 0.000 0.997 175 V HN 1.051 nan 8.190 nan 0.000 0.436 176 K N 3.997 124.383 120.400 -0.024 0.000 2.770 176 K HA 0.371 4.691 4.320 -0.000 0.000 0.195 176 K C -0.649 175.947 176.600 -0.007 0.000 1.515 176 K CA -0.155 56.123 56.287 -0.015 0.000 1.199 176 K CB 0.539 33.019 32.500 -0.033 0.000 1.681 176 K HN 0.578 nan 8.250 nan 0.000 0.586 177 L N 2.466 123.678 121.223 -0.018 0.000 2.342 177 L HA 0.564 4.904 4.340 -0.000 0.000 0.271 177 L C -0.486 176.412 176.870 0.047 0.000 1.008 177 L CA -1.091 53.752 54.840 0.006 0.000 0.818 177 L CB 2.112 44.150 42.059 -0.035 0.000 1.296 177 L HN 0.035 nan 8.230 nan 0.000 0.427 178 I N 1.647 122.266 120.570 0.081 0.000 2.436 178 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 178 I C -1.249 174.979 176.117 0.186 0.000 1.010 178 I CA -0.630 60.734 61.300 0.107 0.000 1.098 178 I CB 1.883 39.921 38.000 0.064 0.000 1.266 178 I HN 0.502 nan 8.210 nan 0.000 0.434 179 Y N 6.102 126.465 120.300 0.105 0.000 2.331 179 Y HA 0.557 5.107 4.550 -0.000 0.000 0.338 179 Y C -0.280 175.669 175.900 0.083 0.000 0.976 179 Y CA -0.178 58.003 58.100 0.136 0.000 1.137 179 Y CB 1.502 40.106 38.460 0.240 0.000 1.172 179 Y HN 0.551 nan 8.280 nan 0.000 0.478 180 T N 7.059 121.324 114.554 -0.480 0.000 2.909 180 T HA 0.541 4.891 4.350 -0.000 0.000 0.299 180 T C -1.195 173.213 174.700 -0.487 0.000 1.073 180 T CA -0.669 61.167 62.100 -0.440 0.000 0.999 180 T CB 0.754 69.522 68.868 -0.166 0.000 1.098 180 T HN 0.623 nan 8.240 nan 0.000 0.477 181 I N 6.284 126.640 120.570 -0.357 0.000 2.557 181 I HA 0.298 4.468 4.170 -0.000 0.000 0.277 181 I C -1.938 174.117 176.117 -0.103 0.000 1.106 181 I CA -2.281 58.895 61.300 -0.206 0.000 1.180 181 I CB 1.704 39.625 38.000 -0.131 0.000 1.392 181 I HN 0.450 nan 8.210 nan 0.000 0.506 182 P HA -0.096 nan 4.420 nan 0.000 0.215 182 P C 0.354 177.634 177.300 -0.033 0.000 1.157 182 P CA 1.382 64.449 63.100 -0.055 0.000 0.868 182 P CB 0.190 31.857 31.700 -0.054 0.000 0.788 183 T N -0.679 113.860 114.554 -0.025 0.000 2.771 183 T HA 0.483 4.833 4.350 -0.000 0.000 0.281 183 T C 0.448 175.172 174.700 0.040 0.000 0.982 183 T CA -0.074 62.021 62.100 -0.009 0.000 0.978 183 T CB 0.962 69.807 68.868 -0.038 0.000 0.930 183 T HN 0.262 nan 8.240 nan 0.000 0.447 184 G N 3.520 112.328 108.800 0.012 0.000 2.372 184 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.290 184 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.290 184 G C 0.084 174.963 174.900 -0.035 0.000 0.965 184 G CA 0.047 45.134 45.100 -0.022 0.000 1.263 184 G HN 0.824 nan 8.290 nan 0.000 0.498 185 Q N -0.363 119.437 119.800 0.001 0.000 2.386 185 Q HA 0.092 4.432 4.340 -0.000 0.000 0.282 185 Q C 0.226 176.209 176.000 -0.028 0.000 1.050 185 Q CA -0.118 55.693 55.803 0.012 0.000 0.918 185 Q CB 0.390 29.124 28.738 -0.007 0.000 1.266 185 Q HN 0.482 nan 8.270 nan 0.000 0.423 186 N N 4.160 122.864 118.700 0.006 0.000 2.424 186 N HA 0.260 5.000 4.740 -0.000 0.000 0.271 186 N C -2.237 173.226 175.510 -0.077 0.000 0.985 186 N CA -2.083 50.894 53.050 -0.122 0.000 0.921 186 N CB 1.512 39.982 38.487 -0.028 0.000 1.149 186 N HN 0.358 nan 8.380 nan 0.000 0.492 187 P HA 0.055 nan 4.420 nan 0.000 0.252 187 P C 1.328 178.451 177.300 -0.295 0.000 1.211 187 P CA 0.195 62.942 63.100 -0.588 0.000 0.824 187 P CB 0.527 31.570 31.700 -1.094 0.000 1.077 188 M N -0.134 119.372 119.600 -0.157 0.000 2.202 188 M HA -0.012 4.468 4.480 -0.000 0.000 0.262 188 M C 1.825 178.145 176.300 0.034 0.000 1.063 188 M CA 2.047 57.326 55.300 -0.034 0.000 1.097 188 M CB -1.973 30.630 32.600 0.004 0.000 1.382 188 M HN 0.231 nan 8.290 nan 0.000 0.413 189 G N 0.279 109.096 108.800 0.029 0.000 2.179 189 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 189 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 189 G C 0.347 175.287 174.900 0.066 0.000 0.977 189 G CA 0.479 45.623 45.100 0.074 0.000 0.641 189 G HN 0.584 nan 8.290 nan 0.000 0.533 190 V N -1.277 118.666 119.914 0.047 0.000 3.336 190 V HA 0.944 5.064 4.120 -0.000 0.000 0.304 190 V C 0.432 176.539 176.094 0.021 0.000 1.073 190 V CA 0.526 62.851 62.300 0.041 0.000 1.074 190 V CB 1.641 33.486 31.823 0.037 0.000 1.161 190 V HN 1.535 nan 8.190 nan 0.000 0.460 191 T N 0.985 115.549 114.554 0.016 0.000 2.952 191 T HA 0.495 4.845 4.350 -0.000 0.000 0.305 191 T C -0.570 174.127 174.700 -0.004 0.000 1.064 191 T CA -0.620 61.481 62.100 0.002 0.000 1.008 191 T CB 1.427 70.294 68.868 -0.000 0.000 1.078 191 T HN 1.127 nan 8.240 nan 0.000 0.459 192 M N 4.359 123.952 119.600 -0.013 0.000 2.252 192 M HA 0.283 4.763 4.480 -0.000 0.000 0.348 192 M C 0.728 177.020 176.300 -0.013 0.000 1.334 192 M CA -0.128 55.164 55.300 -0.014 0.000 1.071 192 M CB 0.439 33.026 32.600 -0.022 0.000 1.763 192 M HN 0.985 nan 8.290 nan 0.000 0.452 193 S N 5.298 120.992 115.700 -0.010 0.000 2.600 193 S HA 0.162 4.632 4.470 -0.000 0.000 0.265 193 S C 1.046 175.638 174.600 -0.014 0.000 1.325 193 S CA -0.881 57.313 58.200 -0.010 0.000 1.002 193 S CB 0.937 64.134 63.200 -0.006 0.000 0.921 193 S HN 0.845 nan 8.310 nan 0.000 0.554 194 M N 0.655 120.245 119.600 -0.016 0.000 2.296 194 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 194 M C 2.106 178.399 176.300 -0.012 0.000 1.064 194 M CA 1.426 56.714 55.300 -0.019 0.000 1.109 194 M CB -1.664 30.921 32.600 -0.024 0.000 1.396 194 M HN 0.981 nan 8.290 nan 0.000 0.430 195 E N 0.307 120.502 120.200 -0.009 0.000 2.072 195 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 195 E C 2.097 178.695 176.600 -0.003 0.000 0.985 195 E CA 0.910 57.307 56.400 -0.005 0.000 0.801 195 E CB 0.200 29.898 29.700 -0.004 0.000 0.750 195 E HN 0.432 nan 8.360 nan 0.000 0.452 196 R N -0.132 120.366 120.500 -0.003 0.000 2.148 196 R HA -0.004 4.336 4.340 -0.000 0.000 0.223 196 R C 2.425 178.724 176.300 -0.001 0.000 1.088 196 R CA 0.755 56.854 56.100 -0.001 0.000 0.985 196 R CB -0.032 30.267 30.300 -0.003 0.000 0.880 196 R HN 0.077 nan 8.270 nan 0.000 0.451 197 R N 0.588 121.085 120.500 -0.006 0.000 2.070 197 R HA -0.059 4.281 4.340 -0.000 0.000 0.233 197 R C 2.110 178.410 176.300 -0.000 0.000 1.137 197 R CA 1.053 57.149 56.100 -0.007 0.000 0.945 197 R CB -0.062 30.229 30.300 -0.014 0.000 0.845 197 R HN -0.073 nan 8.270 nan 0.000 0.430 198 K N 0.428 120.828 120.400 -0.001 0.000 2.148 198 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 198 K C 1.944 178.549 176.600 0.008 0.000 1.050 198 K CA 1.347 57.636 56.287 0.003 0.000 0.942 198 K CB -0.246 32.255 32.500 0.000 0.000 0.724 198 K HN 0.193 nan 8.250 nan 0.000 0.446 199 A N 1.013 123.839 122.820 0.010 0.000 1.968 199 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 199 A C 2.111 179.711 177.584 0.026 0.000 1.169 199 A CA 0.874 52.921 52.037 0.017 0.000 0.638 199 A CB -0.348 18.662 19.000 0.016 0.000 0.812 199 A HN 0.220 nan 8.150 nan 0.000 0.446 200 L N -0.157 121.079 121.223 0.022 0.000 2.027 200 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 200 L C 2.174 179.066 176.870 0.035 0.000 1.074 200 L CA 1.668 56.525 54.840 0.028 0.000 0.745 200 L CB -0.649 41.419 42.059 0.015 0.000 0.898 200 L HN 0.372 nan 8.230 nan 0.000 0.433 201 L N -0.565 120.673 121.223 0.025 0.000 2.083 201 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 201 L C 2.528 179.414 176.870 0.026 0.000 1.083 201 L CA 1.519 56.374 54.840 0.025 0.000 0.752 201 L CB -0.593 41.476 42.059 0.017 0.000 0.899 201 L HN 0.367 nan 8.230 nan 0.000 0.433 202 E N 0.144 120.357 120.200 0.023 0.000 2.106 202 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 202 E C 2.292 178.908 176.600 0.027 0.000 0.984 202 E CA 1.092 57.501 56.400 0.015 0.000 0.806 202 E CB -0.043 29.663 29.700 0.011 0.000 0.750 202 E HN 0.495 nan 8.360 nan 0.000 0.458 203 I N 0.982 121.593 120.570 0.068 0.000 2.315 203 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 203 I C 2.518 178.742 176.117 0.178 0.000 1.117 203 I CA 0.713 62.103 61.300 0.152 0.000 1.404 203 I CB -0.248 37.856 38.000 0.173 0.000 1.071 203 I HN 0.081 nan 8.210 nan 0.000 0.419 204 A N -0.211 122.675 122.820 0.109 0.000 1.902 204 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 204 A C 2.492 180.118 177.584 0.070 0.000 1.181 204 A CA 2.254 54.350 52.037 0.097 0.000 0.623 204 A CB -0.738 18.299 19.000 0.062 0.000 0.818 204 A HN 0.396 nan 8.150 nan 0.000 0.443 205 S N -0.599 115.121 115.700 0.033 0.000 2.355 205 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 205 S C 2.123 176.697 174.600 -0.043 0.000 1.031 205 S CA 1.807 60.007 58.200 0.000 0.000 0.993 205 S CB -0.321 62.874 63.200 -0.009 0.000 0.859 205 S HN 0.605 nan 8.310 nan 0.000 0.453 206 K N -0.798 119.545 120.400 -0.094 0.000 2.063 206 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 206 K C 1.078 177.428 176.600 -0.416 0.000 1.048 206 K CA 1.779 57.895 56.287 -0.284 0.000 0.928 206 K CB -0.256 32.000 32.500 -0.406 0.000 0.713 206 K HN 0.522 nan 8.250 nan 0.000 0.442 207 Y N 0.457 120.759 120.300 0.003 0.000 2.468 207 Y HA 0.114 4.664 4.550 -0.000 0.000 0.268 207 Y C -0.290 175.611 175.900 0.001 0.000 1.177 207 Y CA -0.012 58.089 58.100 0.002 0.000 1.265 207 Y CB 0.306 38.768 38.460 0.003 0.000 1.103 207 Y HN 0.202 nan 8.280 nan 0.000 0.522 208 D N 0.912 121.360 120.400 0.081 0.000 2.828 208 D HA -0.190 4.450 4.640 -0.000 0.000 0.241 208 D C -1.024 175.318 176.300 0.069 0.000 1.142 208 D CA 0.591 54.624 54.000 0.056 0.000 0.755 208 D CB -1.070 39.752 40.800 0.036 0.000 1.014 208 D HN 0.295 nan 8.370 nan 0.000 0.420 209 L N 0.056 121.326 121.223 0.077 0.000 2.286 209 L HA 0.687 5.027 4.340 -0.000 0.000 0.265 209 L C 0.088 176.986 176.870 0.047 0.000 1.012 209 L CA -1.399 53.478 54.840 0.062 0.000 0.818 209 L CB 1.101 43.206 42.059 0.075 0.000 1.337 209 L HN -0.041 nan 8.230 nan 0.000 0.438 210 L N 1.350 122.595 121.223 0.038 0.000 2.334 210 L HA 0.581 4.921 4.340 -0.000 0.000 0.273 210 L C -0.503 176.395 176.870 0.048 0.000 1.013 210 L CA -0.159 54.703 54.840 0.037 0.000 0.816 210 L CB 1.770 43.844 42.059 0.026 0.000 1.278 210 L HN 0.299 nan 8.230 nan 0.000 0.431 211 I N 3.776 124.378 120.570 0.053 0.000 2.433 211 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 211 I C -0.603 175.564 176.117 0.082 0.000 1.001 211 I CA -0.455 60.884 61.300 0.064 0.000 1.119 211 I CB 1.840 39.869 38.000 0.047 0.000 1.289 211 I HN 0.341 nan 8.210 nan 0.000 0.438 212 I N 5.455 126.101 120.570 0.127 0.000 2.328 212 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 212 I C 0.053 176.245 176.117 0.125 0.000 1.012 212 I CA -0.315 61.087 61.300 0.170 0.000 1.195 212 I CB 1.190 39.372 38.000 0.304 0.000 1.350 212 I HN 0.616 nan 8.210 nan 0.000 0.464 213 E N 5.836 126.077 120.200 0.069 0.000 2.146 213 E HA 0.107 4.457 4.350 -0.000 0.000 0.282 213 E C -1.037 175.562 176.600 -0.001 0.000 0.989 213 E CA -0.626 55.775 56.400 0.001 0.000 0.799 213 E CB 1.086 30.789 29.700 0.005 0.000 1.088 213 E HN 0.402 nan 8.360 nan 0.000 0.397 214 D N 3.506 123.868 120.400 -0.064 0.000 2.359 214 D HA 0.050 4.690 4.640 -0.000 0.000 0.230 214 D C 0.211 176.444 176.300 -0.111 0.000 1.118 214 D CA -0.263 53.701 54.000 -0.059 0.000 0.844 214 D CB 1.207 41.985 40.800 -0.037 0.000 1.059 214 D HN 0.457 nan 8.370 nan 0.000 0.493 215 T N 0.803 115.275 114.554 -0.137 0.000 3.223 215 T HA 0.346 4.696 4.350 -0.000 0.000 0.259 215 T C 1.602 176.154 174.700 -0.246 0.000 1.015 215 T CA 0.122 62.128 62.100 -0.157 0.000 0.908 215 T CB 0.391 69.207 68.868 -0.086 0.000 1.054 215 T HN 0.235 nan 8.240 nan 0.000 0.567 216 A N 1.130 123.737 122.820 -0.354 0.000 1.997 216 A HA -0.067 4.253 4.320 -0.000 0.000 0.221 216 A C 1.363 178.544 177.584 -0.672 0.000 1.172 216 A CA 1.166 52.854 52.037 -0.581 0.000 0.645 216 A CB -0.881 17.608 19.000 -0.852 0.000 0.813 216 A HN 0.756 nan 8.150 nan 0.000 0.454 217 Y N -1.149 119.084 120.300 -0.110 0.000 2.636 217 Y HA 0.169 4.719 4.550 -0.000 0.000 0.260 217 Y C 1.580 177.386 175.900 -0.156 0.000 1.177 217 Y CA -0.414 57.624 58.100 -0.104 0.000 1.209 217 Y CB 0.002 38.400 38.460 -0.104 0.000 1.166 217 Y HN 0.213 nan 8.280 nan 0.000 0.531 218 N N 0.471 119.040 118.700 -0.219 0.000 2.289 218 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 218 N C 0.461 175.722 175.510 -0.415 0.000 1.016 218 N CA 1.333 54.139 53.050 -0.406 0.000 0.872 218 N CB -0.299 37.781 38.487 -0.679 0.000 0.973 218 N HN 0.333 nan 8.380 nan 0.000 0.433 219 F N -0.577 119.472 119.950 0.164 0.000 2.660 219 F HA 0.320 4.847 4.527 -0.000 0.000 0.297 219 F C 0.982 176.964 175.800 0.304 0.000 1.132 219 F CA -0.074 58.086 58.000 0.267 0.000 1.372 219 F CB 0.125 39.315 39.000 0.317 0.000 1.003 219 F HN -0.093 nan 8.300 nan 0.000 0.524 220 M N 0.045 119.766 119.600 0.202 0.000 2.785 220 M HA 0.216 4.696 4.480 -0.000 0.000 0.374 220 M C 0.071 176.084 176.300 -0.478 0.000 1.221 220 M CA 0.186 55.496 55.300 0.017 0.000 0.912 220 M CB 0.329 32.954 32.600 0.042 0.000 1.355 220 M HN -0.014 nan 8.290 nan 0.000 0.513 221 R N -0.146 120.184 120.500 -0.284 0.000 2.349 221 R HA 0.331 4.671 4.340 -0.000 0.000 0.299 221 R C -0.259 175.844 176.300 -0.328 0.000 1.027 221 R CA 0.130 56.017 56.100 -0.355 0.000 0.958 221 R CB 0.923 31.168 30.300 -0.090 0.000 1.047 221 R HN 0.250 nan 8.270 nan 0.000 0.468 222 Y N 1.066 121.435 120.300 0.116 0.000 2.609 222 Y HA 0.142 4.692 4.550 -0.000 0.000 0.281 222 Y C 1.768 177.710 175.900 0.070 0.000 1.132 222 Y CA -0.158 58.000 58.100 0.096 0.000 1.264 222 Y CB 0.476 38.987 38.460 0.086 0.000 1.325 222 Y HN 0.553 nan 8.280 nan 0.000 0.514 223 E N 0.678 120.998 120.200 0.200 0.000 2.206 223 E HA 0.184 4.534 4.350 -0.000 0.000 0.195 223 E C 1.269 177.915 176.600 0.077 0.000 0.935 223 E CA 0.315 56.791 56.400 0.126 0.000 0.875 223 E CB -0.103 29.666 29.700 0.116 0.000 0.841 223 E HN 0.291 nan 8.360 nan 0.000 0.477 224 G N 0.439 109.272 108.800 0.055 0.000 2.552 224 G HA2 0.018 3.978 3.960 -0.000 0.000 0.228 224 G HA3 0.018 3.978 3.960 -0.000 0.000 0.228 224 G C 0.725 175.644 174.900 0.031 0.000 1.150 224 G CA 0.276 45.395 45.100 0.031 0.000 0.857 224 G HN 0.297 nan 8.290 nan 0.000 0.512 225 G N 0.377 109.187 108.800 0.017 0.000 3.078 225 G HA2 0.223 4.183 3.960 -0.000 0.000 0.163 225 G HA3 0.223 4.183 3.960 -0.000 0.000 0.163 225 G C 0.033 174.937 174.900 0.006 0.000 1.894 225 G CA 0.636 45.745 45.100 0.014 0.000 0.951 225 G HN 0.697 nan 8.290 nan 0.000 0.446 226 D N 0.484 120.874 120.400 -0.017 0.000 2.590 226 D HA 0.281 4.921 4.640 -0.000 0.000 0.280 226 D C 0.380 176.623 176.300 -0.095 0.000 1.197 226 D CA -0.457 53.513 54.000 -0.051 0.000 0.967 226 D CB -0.478 40.289 40.800 -0.054 0.000 0.987 226 D HN 0.350 nan 8.370 nan 0.000 0.508 227 I N 0.440 120.965 120.570 -0.075 0.000 2.325 227 I HA 0.470 4.640 4.170 -0.000 0.000 0.291 227 I C 0.208 176.256 176.117 -0.115 0.000 1.019 227 I CA -1.050 60.200 61.300 -0.082 0.000 1.302 227 I CB 1.158 39.130 38.000 -0.048 0.000 1.401 227 I HN -0.051 nan 8.210 nan 0.000 0.485 228 V N 3.405 123.237 119.914 -0.137 0.000 2.850 228 V HA 0.701 4.821 4.120 -0.000 0.000 0.315 228 V C -2.608 173.448 176.094 -0.063 0.000 1.064 228 V CA -2.440 59.779 62.300 -0.135 0.000 0.979 228 V CB 1.080 32.776 31.823 -0.212 0.000 1.039 228 V HN 0.591 nan 8.190 nan 0.000 0.452 229 P HA 0.302 nan 4.420 nan 0.000 0.269 229 P C 0.993 178.291 177.300 -0.004 0.000 1.215 229 P CA -0.157 62.933 63.100 -0.017 0.000 0.780 229 P CB 0.555 32.258 31.700 0.005 0.000 0.898 230 L N 1.131 122.351 121.223 -0.004 0.000 2.081 230 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 230 L C 2.272 179.153 176.870 0.019 0.000 1.080 230 L CA 1.602 56.444 54.840 0.004 0.000 0.754 230 L CB -0.676 41.385 42.059 0.003 0.000 0.893 230 L HN 0.399 nan 8.230 nan 0.000 0.433 231 K N 0.907 121.324 120.400 0.029 0.000 2.074 231 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 231 K C 1.966 178.592 176.600 0.043 0.000 1.048 231 K CA 1.703 58.015 56.287 0.042 0.000 0.926 231 K CB -0.436 32.100 32.500 0.060 0.000 0.713 231 K HN 0.263 nan 8.250 nan 0.000 0.444 232 A N -0.526 122.322 122.820 0.046 0.000 2.172 232 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 232 A C 1.365 178.975 177.584 0.044 0.000 1.154 232 A CA 0.979 53.051 52.037 0.058 0.000 0.701 232 A CB -0.168 18.886 19.000 0.089 0.000 0.789 232 A HN 0.252 nan 8.150 nan 0.000 0.465 233 L N -0.675 120.565 121.223 0.029 0.000 2.693 233 L HA 0.217 4.557 4.340 -0.000 0.000 0.235 233 L C 0.100 176.982 176.870 0.020 0.000 1.127 233 L CA 0.082 54.934 54.840 0.020 0.000 0.914 233 L CB -0.044 42.021 42.059 0.010 0.000 1.193 233 L HN 0.201 nan 8.230 nan 0.000 0.502 234 D N 0.509 120.923 120.400 0.024 0.000 2.455 234 D HA -0.009 4.631 4.640 -0.000 0.000 0.234 234 D C 1.351 177.664 176.300 0.021 0.000 1.224 234 D CA 0.150 54.164 54.000 0.024 0.000 0.999 234 D CB 0.284 41.101 40.800 0.029 0.000 1.072 234 D HN 0.227 nan 8.370 nan 0.000 0.514 235 N N 2.386 121.097 118.700 0.017 0.000 2.415 235 N HA -0.099 4.641 4.740 -0.000 0.000 0.176 235 N C 0.642 176.159 175.510 0.013 0.000 1.042 235 N CA 0.457 53.515 53.050 0.014 0.000 0.902 235 N CB 0.092 38.586 38.487 0.011 0.000 0.986 235 N HN 0.443 nan 8.380 nan 0.000 0.447 236 E N -0.126 120.082 120.200 0.013 0.000 2.474 236 E HA 0.161 4.511 4.350 -0.000 0.000 0.194 236 E C 0.249 176.858 176.600 0.015 0.000 1.041 236 E CA 0.150 56.557 56.400 0.012 0.000 0.874 236 E CB 0.115 29.822 29.700 0.010 0.000 0.914 236 E HN 0.501 nan 8.360 nan 0.000 0.498 237 G N 2.284 111.096 108.800 0.020 0.000 2.225 237 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 237 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 237 G C 0.605 175.520 174.900 0.025 0.000 1.060 237 G CA 0.263 45.377 45.100 0.023 0.000 0.833 237 G HN 0.229 nan 8.290 nan 0.000 0.498 238 R N -0.952 119.564 120.500 0.027 0.000 2.317 238 R HA 0.334 4.674 4.340 -0.000 0.000 0.208 238 R C 1.188 177.509 176.300 0.036 0.000 0.914 238 R CA 0.756 56.874 56.100 0.030 0.000 1.060 238 R CB 0.759 31.076 30.300 0.029 0.000 1.015 238 R HN 0.770 nan 8.270 nan 0.000 0.498 239 V N -0.584 119.353 119.914 0.039 0.000 2.581 239 V HA 0.573 4.693 4.120 -0.000 0.000 0.303 239 V C -0.545 175.582 176.094 0.055 0.000 1.041 239 V CA -0.860 61.468 62.300 0.046 0.000 0.907 239 V CB 1.875 33.723 31.823 0.042 0.000 0.994 239 V HN -0.038 nan 8.190 nan 0.000 0.442 240 I N 5.528 126.137 120.570 0.065 0.000 2.509 240 I HA 0.599 4.768 4.170 -0.000 0.000 0.293 240 I C -0.380 175.789 176.117 0.088 0.000 1.020 240 I CA -0.978 60.367 61.300 0.076 0.000 1.088 240 I CB 2.035 40.079 38.000 0.074 0.000 1.267 240 I HN 0.715 nan 8.210 nan 0.000 0.430 241 V N 5.092 125.066 119.914 0.100 0.000 2.630 241 V HA 0.890 5.010 4.120 -0.000 0.000 0.305 241 V C -0.380 175.756 176.094 0.070 0.000 1.046 241 V CA -0.206 62.152 62.300 0.097 0.000 0.934 241 V CB 1.701 33.603 31.823 0.133 0.000 1.003 241 V HN 0.823 nan 8.190 nan 0.000 0.451 242 A N 4.726 127.546 122.820 -0.000 0.000 2.431 242 A HA 0.884 5.204 4.320 -0.000 0.000 0.318 242 A C 0.169 177.563 177.584 -0.316 0.000 1.330 242 A CA 0.112 52.086 52.037 -0.105 0.000 0.804 242 A CB 0.404 19.404 19.000 0.001 0.000 1.135 242 A HN 1.617 nan 8.150 nan 0.000 0.483 243 G N -0.105 108.232 108.800 -0.771 0.000 2.705 243 G HA2 0.747 4.707 3.960 -0.000 0.000 0.299 243 G HA3 0.747 4.707 3.960 -0.000 0.000 0.299 243 G C -0.420 173.512 174.900 -1.613 0.000 1.315 243 G CA -0.217 44.149 45.100 -1.223 0.000 1.045 243 G HN 1.096 nan 8.290 nan 0.000 0.517 244 T N -1.362 112.314 114.554 -1.463 0.000 2.893 244 T HA 0.310 4.660 4.350 -0.000 0.000 0.337 244 T C -0.160 174.451 174.700 -0.149 0.000 1.587 244 T CA -0.609 61.015 62.100 -0.794 0.000 1.066 244 T CB 1.042 69.668 68.868 -0.404 0.000 1.414 244 T HN 0.274 nan 8.240 nan 0.000 0.488 245 L N 2.721 124.002 121.223 0.097 0.000 2.693 245 L HA 0.186 4.526 4.340 -0.000 0.000 0.235 245 L C 2.607 179.485 176.870 0.014 0.000 1.127 245 L CA 0.443 55.352 54.840 0.114 0.000 0.914 245 L CB 0.099 42.172 42.059 0.025 0.000 1.193 245 L HN 0.852 nan 8.230 nan 0.000 0.502 246 S N 0.254 115.959 115.700 0.008 0.000 2.365 246 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 246 S C 1.757 176.389 174.600 0.054 0.000 1.039 246 S CA 1.018 59.239 58.200 0.036 0.000 1.033 246 S CB -0.237 62.968 63.200 0.008 0.000 0.887 246 S HN 0.281 nan 8.310 nan 0.000 0.447 247 K N 0.893 121.313 120.400 0.033 0.000 2.555 247 K HA 0.270 4.590 4.320 -0.000 0.000 0.193 247 K C 1.551 178.261 176.600 0.184 0.000 1.032 247 K CA 0.322 56.660 56.287 0.084 0.000 1.004 247 K CB -0.381 32.151 32.500 0.054 0.000 0.804 247 K HN 0.473 nan 8.250 nan 0.000 0.496 248 V N -0.195 119.791 119.914 0.119 0.000 3.430 248 V HA -0.012 4.108 4.120 -0.000 0.000 0.211 248 V C 1.722 177.817 176.094 0.001 0.000 1.173 248 V CA 0.050 62.410 62.300 0.101 0.000 1.310 248 V CB -0.427 31.343 31.823 -0.087 0.000 1.361 248 V HN 0.021 nan 8.190 nan 0.000 0.512 249 L N 0.945 122.013 121.223 -0.258 0.000 2.275 249 L HA 0.391 4.731 4.340 -0.000 0.000 0.215 249 L C 0.756 177.489 176.870 -0.228 0.000 1.119 249 L CA 1.931 56.453 54.840 -0.530 0.000 0.790 249 L CB -0.400 41.206 42.059 -0.755 0.000 0.919 249 L HN 0.619 nan 8.230 nan 0.000 0.443 250 G N -2.869 105.968 108.800 0.063 0.000 2.351 250 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.472 250 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.472 250 G C 0.045 175.130 174.900 0.309 0.000 1.570 250 G CA -0.171 45.125 45.100 0.326 0.000 0.921 250 G HN -0.179 nan 8.290 nan 0.000 0.674 251 T N 0.125 114.795 114.554 0.192 0.000 3.100 251 T HA 0.253 4.603 4.350 -0.000 0.000 0.253 251 T C 2.055 176.805 174.700 0.083 0.000 1.118 251 T CA 2.175 64.347 62.100 0.120 0.000 1.058 251 T CB -0.296 68.623 68.868 0.086 0.000 0.953 251 T HN 1.270 nan 8.240 nan 0.000 0.515 252 G N -0.830 107.992 108.800 0.037 0.000 2.986 252 G HA2 0.134 4.094 3.960 -0.000 0.000 0.213 252 G HA3 0.134 4.094 3.960 -0.000 0.000 0.213 252 G C 0.930 175.742 174.900 -0.147 0.000 1.156 252 G CA -0.223 44.822 45.100 -0.091 0.000 0.763 252 G HN 0.488 nan 8.290 nan 0.000 0.547 253 F N 0.699 120.649 119.950 -0.001 0.000 2.293 253 F HA 0.149 4.675 4.527 -0.000 0.000 0.300 253 F C 1.442 177.245 175.800 0.005 0.000 1.086 253 F CA 0.498 58.496 58.000 -0.003 0.000 1.375 253 F CB 0.296 39.283 39.000 -0.021 0.000 1.045 253 F HN -0.068 nan 8.300 nan 0.000 0.516 254 R N 0.364 120.958 120.500 0.157 0.000 3.322 254 R HA -0.148 4.192 4.340 -0.000 0.000 0.266 254 R C -1.225 175.138 176.300 0.105 0.000 1.072 254 R CA 0.239 56.397 56.100 0.097 0.000 0.715 254 R CB -2.744 27.597 30.300 0.068 0.000 1.199 254 R HN 0.144 nan 8.270 nan 0.000 0.421 255 I N 0.224 120.863 120.570 0.116 0.000 2.355 255 I HA 0.556 4.726 4.170 -0.000 0.000 0.288 255 I C 1.178 177.366 176.117 0.118 0.000 0.999 255 I CA -0.099 61.272 61.300 0.118 0.000 1.163 255 I CB 1.583 39.643 38.000 0.099 0.000 1.316 255 I HN 0.317 nan 8.210 nan 0.000 0.454 256 G N 5.605 114.481 108.800 0.126 0.000 2.921 256 G HA2 0.773 4.733 3.960 -0.000 0.000 0.291 256 G HA3 0.773 4.733 3.960 -0.000 0.000 0.291 256 G C -2.206 172.829 174.900 0.225 0.000 1.370 256 G CA -0.543 44.547 45.100 -0.018 0.000 0.847 256 G HN 0.604 nan 8.290 nan 0.000 0.532 257 W N -1.714 119.604 121.300 0.031 0.000 2.989 257 W HA 0.768 5.428 4.660 -0.000 0.000 0.344 257 W C -1.963 174.583 176.519 0.045 0.000 1.233 257 W CA -1.298 56.068 57.345 0.035 0.000 1.187 257 W CB 0.815 30.296 29.460 0.035 0.000 1.443 257 W HN 0.482 nan 8.180 nan 0.000 0.573 258 I N 2.334 123.073 120.570 0.283 0.000 2.545 258 I HA 0.478 4.647 4.170 -0.000 0.000 0.292 258 I C -0.671 175.589 176.117 0.239 0.000 1.040 258 I CA -1.236 60.177 61.300 0.187 0.000 1.068 258 I CB 1.844 39.912 38.000 0.114 0.000 1.251 258 I HN 0.389 nan 8.210 nan 0.000 0.424 259 I N 5.462 126.158 120.570 0.210 0.000 2.410 259 I HA 0.707 4.877 4.170 -0.000 0.000 0.286 259 I C -0.137 176.047 176.117 0.112 0.000 1.009 259 I CA -0.147 61.255 61.300 0.169 0.000 1.111 259 I CB 1.649 39.766 38.000 0.194 0.000 1.262 259 I HN 0.672 nan 8.210 nan 0.000 0.443 260 A N 5.387 128.257 122.820 0.084 0.000 2.567 260 A HA 0.933 5.253 4.320 -0.000 0.000 0.289 260 A C -1.293 176.319 177.584 0.046 0.000 1.177 260 A CA -0.553 51.520 52.037 0.061 0.000 0.694 260 A CB 2.055 21.088 19.000 0.055 0.000 1.292 260 A HN 0.628 nan 8.150 nan 0.000 0.425 261 E N -1.500 118.721 120.200 0.035 0.000 2.446 261 E HA 0.580 4.930 4.350 -0.000 0.000 0.276 261 E C 0.388 176.999 176.600 0.020 0.000 0.969 261 E CA -0.079 56.337 56.400 0.027 0.000 0.800 261 E CB 1.835 31.550 29.700 0.025 0.000 1.341 261 E HN 1.950 nan 8.360 nan 0.000 0.460 262 G N 0.925 109.734 108.800 0.015 0.000 2.596 262 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.295 262 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.295 262 G C 0.612 175.518 174.900 0.009 0.000 1.240 262 G CA 0.884 45.990 45.100 0.011 0.000 0.985 262 G HN 0.586 nan 8.290 nan 0.000 0.555 263 E N 0.191 120.395 120.200 0.007 0.000 2.268 263 E HA 0.112 4.462 4.350 -0.000 0.000 0.195 263 E C 2.572 179.175 176.600 0.004 0.000 0.995 263 E CA 1.128 57.530 56.400 0.004 0.000 0.836 263 E CB -0.074 29.627 29.700 0.002 0.000 0.763 263 E HN 0.553 nan 8.360 nan 0.000 0.491 264 I N 0.077 120.652 120.570 0.008 0.000 2.286 264 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 264 I C 2.148 178.273 176.117 0.013 0.000 1.104 264 I CA 0.480 61.786 61.300 0.009 0.000 1.397 264 I CB -0.164 37.843 38.000 0.013 0.000 1.072 264 I HN 0.160 nan 8.210 nan 0.000 0.417 265 L N 1.373 122.606 121.223 0.018 0.000 2.012 265 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 265 L C 2.492 179.370 176.870 0.013 0.000 1.073 265 L CA 1.968 56.821 54.840 0.022 0.000 0.748 265 L CB -0.703 41.370 42.059 0.024 0.000 0.891 265 L HN 0.100 nan 8.230 nan 0.000 0.431 266 K N -0.661 119.743 120.400 0.008 0.000 2.020 266 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 266 K C 2.144 178.742 176.600 -0.003 0.000 1.050 266 K CA 1.665 57.952 56.287 0.001 0.000 0.929 266 K CB -0.079 32.421 32.500 -0.000 0.000 0.714 266 K HN 0.183 nan 8.250 nan 0.000 0.443 267 K N 0.539 120.938 120.400 -0.003 0.000 2.097 267 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 267 K C 2.125 178.722 176.600 -0.005 0.000 1.049 267 K CA 0.846 57.129 56.287 -0.006 0.000 0.933 267 K CB -0.365 32.132 32.500 -0.006 0.000 0.717 267 K HN 0.085 nan 8.250 nan 0.000 0.442 268 V N 1.565 121.480 119.914 0.002 0.000 2.343 268 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 268 V C 2.350 178.444 176.094 0.001 0.000 1.051 268 V CA 1.176 63.480 62.300 0.007 0.000 1.036 268 V CB -0.300 31.536 31.823 0.021 0.000 0.654 268 V HN 0.178 nan 8.190 nan 0.000 0.451 269 L N -1.026 120.196 121.223 -0.001 0.000 2.056 269 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 269 L C 2.299 179.151 176.870 -0.030 0.000 1.078 269 L CA 2.000 56.833 54.840 -0.011 0.000 0.749 269 L CB -0.951 41.103 42.059 -0.008 0.000 0.901 269 L HN 0.298 nan 8.230 nan 0.000 0.433 270 M N -0.612 118.971 119.600 -0.028 0.000 2.108 270 M HA -0.279 4.201 4.480 -0.000 0.000 0.261 270 M C 2.051 178.321 176.300 -0.050 0.000 1.066 270 M CA 2.083 57.359 55.300 -0.040 0.000 1.107 270 M CB -0.250 32.333 32.600 -0.029 0.000 1.356 270 M HN 0.413 nan 8.290 nan 0.000 0.406 271 Q N -0.314 119.464 119.800 -0.037 0.000 2.378 271 Q HA -0.104 4.236 4.340 -0.000 0.000 0.205 271 Q C 1.724 177.696 176.000 -0.047 0.000 0.954 271 Q CA 0.957 56.738 55.803 -0.037 0.000 0.901 271 Q CB -0.229 28.497 28.738 -0.019 0.000 0.981 271 Q HN 0.404 nan 8.270 nan 0.000 0.483 272 K N 1.160 121.531 120.400 -0.050 0.000 2.025 272 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 272 K C 2.257 178.796 176.600 -0.102 0.000 1.049 272 K CA 1.633 57.890 56.287 -0.050 0.000 0.933 272 K CB -0.009 32.474 32.500 -0.029 0.000 0.714 272 K HN 0.343 nan 8.250 nan 0.000 0.438 273 Q N 0.155 119.840 119.800 -0.191 0.000 2.112 273 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 273 Q C -1.104 174.686 176.000 -0.350 0.000 0.987 273 Q CA 1.651 57.215 55.803 -0.398 0.000 0.858 273 Q CB -0.363 28.029 28.738 -0.577 0.000 0.905 273 Q HN 0.277 nan 8.270 nan 0.000 0.420 274 P HA -0.022 nan 4.420 nan 0.000 0.237 274 P C 0.306 177.587 177.300 -0.033 0.000 1.178 274 P CA 0.946 63.982 63.100 -0.108 0.000 0.766 274 P CB 0.156 31.807 31.700 -0.082 0.000 0.876 275 I N -0.380 120.175 120.570 -0.025 0.000 2.900 275 I HA -0.008 4.162 4.170 -0.000 0.000 0.251 275 I C 1.414 177.562 176.117 0.053 0.000 1.102 275 I CA 1.192 62.502 61.300 0.016 0.000 1.457 275 I CB -0.075 37.932 38.000 0.011 0.000 1.285 275 I HN -0.049 nan 8.210 nan 0.000 0.459 276 D N -1.337 119.102 120.400 0.065 0.000 2.500 276 D HA 0.027 4.667 4.640 -0.000 0.000 0.218 276 D C 1.340 177.774 176.300 0.225 0.000 1.140 276 D CA -0.447 53.625 54.000 0.119 0.000 0.830 276 D CB 0.172 41.029 40.800 0.095 0.000 1.055 276 D HN 0.289 nan 8.370 nan 0.000 0.512 277 F N -0.124 119.825 119.950 -0.002 0.000 2.555 277 F HA -0.407 4.120 4.527 -0.000 0.000 0.693 277 F C 0.063 175.852 175.800 -0.019 0.000 0.487 277 F CA 1.956 59.928 58.000 -0.047 0.000 0.748 277 F CB -0.985 37.981 39.000 -0.055 0.000 1.624 277 F HN 0.534 nan 8.300 nan 0.000 0.266 278 C N -0.745 118.756 119.300 0.334 0.000 3.275 278 C HA 0.790 5.250 4.460 -0.000 0.000 0.345 278 C C -0.071 175.023 174.990 0.175 0.000 1.257 278 C CA -0.994 58.163 59.018 0.231 0.000 1.203 278 C CB 0.551 28.467 27.740 0.294 0.000 1.492 278 C HN 1.366 nan 8.230 nan 0.000 0.484 279 A N 1.641 124.536 122.820 0.125 0.000 2.407 279 A HA 0.710 5.030 4.320 -0.000 0.000 0.248 279 A C -2.415 175.230 177.584 0.102 0.000 1.082 279 A CA -0.771 51.328 52.037 0.102 0.000 0.785 279 A CB -0.693 18.357 19.000 0.084 0.000 1.020 279 A HN 0.803 nan 8.150 nan 0.000 0.489 280 P HA 0.029 nan 4.420 nan 0.000 0.260 280 P C 0.724 178.079 177.300 0.092 0.000 1.172 280 P CA 1.009 64.163 63.100 0.090 0.000 0.760 280 P CB 0.590 32.343 31.700 0.089 0.000 0.773 281 A N 4.646 127.528 122.820 0.103 0.000 1.858 281 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 281 A C 1.730 179.444 177.584 0.216 0.000 1.190 281 A CA 1.927 54.053 52.037 0.148 0.000 0.617 281 A CB -1.422 17.687 19.000 0.182 0.000 0.827 281 A HN 0.569 nan 8.150 nan 0.000 0.443 282 I N 0.242 120.924 120.570 0.185 0.000 2.118 282 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 282 I C 2.482 178.726 176.117 0.212 0.000 1.070 282 I CA 1.980 63.403 61.300 0.204 0.000 1.327 282 I CB -1.246 36.843 38.000 0.148 0.000 1.034 282 I HN 0.138 nan 8.210 nan 0.000 0.405 283 S N 0.012 115.834 115.700 0.203 0.000 2.374 283 S HA -0.272 4.198 4.470 -0.000 0.000 0.227 283 S C 2.038 176.679 174.600 0.068 0.000 1.037 283 S CA 1.628 59.963 58.200 0.225 0.000 1.024 283 S CB -0.463 62.886 63.200 0.248 0.000 0.861 283 S HN 0.563 nan 8.310 nan 0.000 0.456 284 Q N -0.874 118.935 119.800 0.015 0.000 2.119 284 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 284 Q C 1.767 177.658 176.000 -0.182 0.000 0.972 284 Q CA 1.357 57.088 55.803 -0.120 0.000 0.847 284 Q CB -0.208 28.407 28.738 -0.205 0.000 0.903 284 Q HN 0.589 nan 8.270 nan 0.000 0.433 285 Y N 0.233 120.539 120.300 0.010 0.000 2.286 285 Y HA -0.091 4.459 4.550 -0.000 0.000 0.293 285 Y C 1.975 177.868 175.900 -0.013 0.000 1.124 285 Y CA 0.619 58.719 58.100 -0.000 0.000 1.178 285 Y CB -0.023 38.445 38.460 0.013 0.000 1.010 285 Y HN 0.071 nan 8.280 nan 0.000 0.536 286 I N -0.717 119.930 120.570 0.129 0.000 2.226 286 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 286 I C 2.519 178.605 176.117 -0.052 0.000 1.100 286 I CA 1.313 62.637 61.300 0.040 0.000 1.374 286 I CB -0.603 37.401 38.000 0.006 0.000 1.057 286 I HN 0.168 nan 8.210 nan 0.000 0.413 287 A N 0.620 123.362 122.820 -0.129 0.000 1.930 287 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 287 A C 2.234 179.756 177.584 -0.104 0.000 1.175 287 A CA 1.280 53.205 52.037 -0.188 0.000 0.627 287 A CB -0.701 18.166 19.000 -0.222 0.000 0.815 287 A HN 0.380 nan 8.150 nan 0.000 0.443 288 L N -0.340 120.836 121.223 -0.078 0.000 2.046 288 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 288 L C 2.105 178.960 176.870 -0.025 0.000 1.077 288 L CA 2.210 57.013 54.840 -0.062 0.000 0.747 288 L CB -0.494 41.539 42.059 -0.043 0.000 0.896 288 L HN 0.317 nan 8.230 nan 0.000 0.432 289 E N -1.249 118.958 120.200 0.011 0.000 2.046 289 E HA -0.233 4.117 4.350 -0.000 0.000 0.190 289 E C 2.121 178.678 176.600 -0.071 0.000 0.982 289 E CA 1.395 57.781 56.400 -0.023 0.000 0.800 289 E CB -0.715 28.990 29.700 0.009 0.000 0.756 289 E HN 0.640 nan 8.360 nan 0.000 0.449 290 Y N 1.626 121.844 120.300 -0.136 0.000 2.151 290 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 290 Y C 2.169 177.993 175.900 -0.127 0.000 1.166 290 Y CA 1.674 59.716 58.100 -0.098 0.000 1.163 290 Y CB -0.245 38.164 38.460 -0.085 0.000 0.974 290 Y HN -0.044 nan 8.280 nan 0.000 0.511 291 L N -0.092 121.159 121.223 0.046 0.000 2.044 291 L HA -0.206 4.134 4.340 -0.000 0.000 0.205 291 L C 2.485 179.305 176.870 -0.083 0.000 1.075 291 L CA 1.584 56.392 54.840 -0.053 0.000 0.747 291 L CB -0.565 41.412 42.059 -0.137 0.000 0.903 291 L HN 0.132 nan 8.230 nan 0.000 0.435 292 K N 0.236 120.577 120.400 -0.098 0.000 2.103 292 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 292 K C 2.009 178.517 176.600 -0.153 0.000 1.048 292 K CA 1.245 57.475 56.287 -0.095 0.000 0.930 292 K CB -0.169 32.285 32.500 -0.077 0.000 0.716 292 K HN 0.300 nan 8.250 nan 0.000 0.444 293 R N -0.027 120.286 120.500 -0.310 0.000 2.339 293 R HA -0.009 4.331 4.340 -0.000 0.000 0.199 293 R C 0.932 177.018 176.300 -0.357 0.000 1.018 293 R CA 0.533 56.343 56.100 -0.482 0.000 1.036 293 R CB -0.025 29.616 30.300 -1.098 0.000 0.899 293 R HN 0.391 nan 8.270 nan 0.000 0.473 294 G N 0.632 109.322 108.800 -0.183 0.000 2.198 294 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 294 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 294 G C 0.404 175.354 174.900 0.084 0.000 1.025 294 G CA 0.167 45.270 45.100 0.005 0.000 0.769 294 G HN 0.561 nan 8.290 nan 0.000 0.507 295 Y N -1.676 118.487 120.300 -0.230 0.000 2.616 295 Y HA 0.027 4.577 4.550 -0.000 0.000 0.296 295 Y C 2.464 178.133 175.900 -0.386 0.000 1.154 295 Y CA 0.463 58.366 58.100 -0.329 0.000 1.325 295 Y CB -0.106 37.922 38.460 -0.719 0.000 1.007 295 Y HN 0.435 nan 8.280 nan 0.000 0.542 296 F N 1.604 121.384 119.950 -0.284 0.000 2.084 296 F HA -0.216 4.311 4.527 -0.000 0.000 0.296 296 F C 2.368 178.187 175.800 0.032 0.000 1.111 296 F CA 2.055 60.023 58.000 -0.053 0.000 1.224 296 F CB -0.535 38.421 39.000 -0.074 0.000 0.991 296 F HN 0.049 nan 8.300 nan 0.000 0.471 297 E N 0.328 120.462 120.200 -0.110 0.000 2.028 297 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 297 E C 2.394 178.929 176.600 -0.108 0.000 0.988 297 E CA 1.347 57.657 56.400 -0.149 0.000 0.799 297 E CB -0.421 29.317 29.700 0.064 0.000 0.755 297 E HN 0.409 nan 8.360 nan 0.000 0.447 298 K N -1.152 119.223 120.400 -0.042 0.000 2.160 298 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 298 K C 1.359 177.725 176.600 -0.390 0.000 1.047 298 K CA 1.826 58.011 56.287 -0.170 0.000 0.930 298 K CB -0.029 32.429 32.500 -0.070 0.000 0.720 298 K HN 0.278 nan 8.250 nan 0.000 0.450 299 Y N -2.944 117.298 120.300 -0.097 0.000 2.638 299 Y HA 0.052 4.602 4.550 -0.000 0.000 0.275 299 Y C 2.227 178.117 175.900 -0.018 0.000 1.122 299 Y CA 0.306 58.364 58.100 -0.070 0.000 1.266 299 Y CB 0.169 38.590 38.460 -0.064 0.000 1.317 299 Y HN 0.149 nan 8.280 nan 0.000 0.501 300 H N 0.164 119.259 119.070 0.042 0.000 2.361 300 H HA 0.062 4.618 4.556 -0.000 0.000 0.308 300 H C 1.866 177.097 175.328 -0.162 0.000 1.053 300 H CA 1.142 57.180 56.048 -0.018 0.000 1.377 300 H CB -0.046 29.725 29.762 0.014 0.000 1.434 300 H HN 0.230 nan 8.280 nan 0.000 0.548 301 L N 1.064 122.114 121.223 -0.288 0.000 1.925 301 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 301 L C 1.717 178.505 176.870 -0.138 0.000 1.082 301 L CA 1.738 56.437 54.840 -0.234 0.000 0.764 301 L CB -0.529 41.358 42.059 -0.286 0.000 0.887 301 L HN 0.399 nan 8.230 nan 0.000 0.432 302 E N 0.164 120.290 120.200 -0.123 0.000 2.424 302 E HA 0.139 4.489 4.350 -0.000 0.000 0.237 302 E C 0.584 177.111 176.600 -0.122 0.000 1.381 302 E CA 0.378 56.720 56.400 -0.096 0.000 1.587 302 E CB 0.036 29.687 29.700 -0.082 0.000 1.398 302 E HN 0.521 nan 8.360 nan 0.000 0.439 303 G N 0.836 109.556 108.800 -0.133 0.000 3.249 303 G HA2 0.213 4.173 3.960 -0.000 0.000 0.143 303 G HA3 0.213 4.173 3.960 -0.000 0.000 0.143 303 G C 1.118 175.920 174.900 -0.163 0.000 1.393 303 G CA 0.077 45.097 45.100 -0.133 0.000 1.216 303 G HN 0.235 nan 8.290 nan 0.000 0.728 304 A N 0.263 122.969 122.820 -0.190 0.000 1.978 304 A HA 0.139 4.458 4.320 -0.000 0.000 0.220 304 A C 2.397 179.765 177.584 -0.360 0.000 1.170 304 A CA 1.739 53.582 52.037 -0.323 0.000 0.636 304 A CB -0.585 18.295 19.000 -0.200 0.000 0.810 304 A HN 0.430 nan 8.150 nan 0.000 0.448 305 L N -0.537 120.527 121.223 -0.265 0.000 1.989 305 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 305 L C 2.308 179.237 176.870 0.098 0.000 1.071 305 L CA 1.182 56.033 54.840 0.018 0.000 0.749 305 L CB -0.259 41.791 42.059 -0.014 0.000 0.890 305 L HN 0.299 nan 8.230 nan 0.000 0.431 306 L N -0.514 120.695 121.223 -0.022 0.000 2.046 306 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 306 L C 2.730 179.544 176.870 -0.093 0.000 1.077 306 L CA 2.000 56.818 54.840 -0.038 0.000 0.747 306 L CB -2.487 39.539 42.059 -0.055 0.000 0.896 306 L HN 0.328 nan 8.230 nan 0.000 0.432 307 G N -1.304 107.395 108.800 -0.168 0.000 2.442 307 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 307 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 307 G C 1.454 176.240 174.900 -0.188 0.000 1.141 307 G CA 0.700 45.663 45.100 -0.228 0.000 0.763 307 G HN 0.302 nan 8.290 nan 0.000 0.554 308 Y N 0.422 120.724 120.300 0.003 0.000 2.243 308 Y HA 0.092 4.642 4.550 -0.000 0.000 0.293 308 Y C 2.673 178.428 175.900 -0.243 0.000 1.124 308 Y CA 0.997 59.126 58.100 0.048 0.000 1.159 308 Y CB -0.422 38.193 38.460 0.258 0.000 1.008 308 Y HN 0.145 nan 8.280 nan 0.000 0.527 309 K N 0.774 120.981 120.400 -0.323 0.000 2.113 309 K HA -0.291 4.029 4.320 -0.000 0.000 0.208 309 K C 2.108 178.476 176.600 -0.385 0.000 1.047 309 K CA 1.938 57.810 56.287 -0.691 0.000 0.928 309 K CB -0.115 32.179 32.500 -0.344 0.000 0.716 309 K HN 0.442 nan 8.250 nan 0.000 0.446 310 E N 0.723 120.796 120.200 -0.213 0.000 2.017 310 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 310 E C 1.672 178.173 176.600 -0.165 0.000 0.997 310 E CA 1.512 57.818 56.400 -0.158 0.000 0.804 310 E CB 0.090 29.726 29.700 -0.107 0.000 0.757 310 E HN 0.232 nan 8.360 nan 0.000 0.448 311 K N 0.313 120.649 120.400 -0.106 0.000 2.152 311 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 311 K C 2.402 178.828 176.600 -0.290 0.000 1.048 311 K CA 0.907 57.156 56.287 -0.064 0.000 0.933 311 K CB -0.190 32.400 32.500 0.151 0.000 0.721 311 K HN 0.060 nan 8.250 nan 0.000 0.447 312 R N 1.880 122.033 120.500 -0.579 0.000 2.070 312 R HA -0.150 4.190 4.340 -0.000 0.000 0.233 312 R C 1.343 177.313 176.300 -0.549 0.000 1.137 312 R CA 1.922 57.363 56.100 -1.098 0.000 0.945 312 R CB -0.498 29.176 30.300 -1.045 0.000 0.845 312 R HN 0.188 nan 8.270 nan 0.000 0.430 313 D N 1.058 121.244 120.400 -0.356 0.000 2.104 313 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 313 D C 1.899 178.099 176.300 -0.166 0.000 0.994 313 D CA 1.586 55.459 54.000 -0.212 0.000 0.830 313 D CB -0.478 40.229 40.800 -0.156 0.000 0.959 313 D HN 0.464 nan 8.370 nan 0.000 0.452 314 I N -0.725 119.751 120.570 -0.157 0.000 2.315 314 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 314 I C 2.285 178.334 176.117 -0.113 0.000 1.117 314 I CA 1.074 62.309 61.300 -0.108 0.000 1.404 314 I CB -0.098 37.854 38.000 -0.080 0.000 1.071 314 I HN -0.081 nan 8.210 nan 0.000 0.419 315 M N 0.848 120.353 119.600 -0.158 0.000 2.117 315 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 315 M C 2.082 178.277 176.300 -0.174 0.000 1.065 315 M CA 1.871 57.081 55.300 -0.149 0.000 1.114 315 M CB -0.085 32.426 32.600 -0.148 0.000 1.361 315 M HN 0.333 nan 8.290 nan 0.000 0.408 316 L N -0.078 121.040 121.223 -0.174 0.000 2.093 316 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 316 L C 2.606 179.439 176.870 -0.061 0.000 1.085 316 L CA 1.212 55.988 54.840 -0.106 0.000 0.755 316 L CB -0.753 41.287 42.059 -0.032 0.000 0.904 316 L HN 0.374 nan 8.230 nan 0.000 0.435 317 K N 0.625 120.986 120.400 -0.065 0.000 2.057 317 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 317 K C 2.120 178.694 176.600 -0.044 0.000 1.049 317 K CA 1.460 57.722 56.287 -0.041 0.000 0.931 317 K CB -0.059 32.411 32.500 -0.049 0.000 0.714 317 K HN 0.258 nan 8.250 nan 0.000 0.440 318 A N 1.280 124.070 122.820 -0.050 0.000 1.933 318 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 318 A C 2.130 179.709 177.584 -0.010 0.000 1.175 318 A CA 1.225 53.265 52.037 0.006 0.000 0.628 318 A CB -0.487 18.508 19.000 -0.009 0.000 0.814 318 A HN 0.319 nan 8.150 nan 0.000 0.444 319 L N -0.876 120.255 121.223 -0.154 0.000 2.072 319 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 319 L C 2.127 178.951 176.870 -0.076 0.000 1.079 319 L CA 1.308 55.970 54.840 -0.296 0.000 0.752 319 L CB -0.406 41.143 42.059 -0.851 0.000 0.906 319 L HN 0.424 nan 8.230 nan 0.000 0.436 320 E N -0.309 119.912 120.200 0.034 0.000 2.511 320 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 320 E C 1.105 177.722 176.600 0.028 0.000 1.066 320 E CA 0.015 56.503 56.400 0.146 0.000 0.871 320 E CB 0.117 29.917 29.700 0.167 0.000 0.863 320 E HN 0.426 nan 8.360 nan 0.000 0.520 321 N N -0.636 118.028 118.700 -0.060 0.000 2.516 321 N HA 0.027 4.767 4.740 -0.000 0.000 0.197 321 N C 1.275 176.594 175.510 -0.318 0.000 1.064 321 N CA 0.639 53.562 53.050 -0.211 0.000 0.866 321 N CB 0.429 38.713 38.487 -0.338 0.000 1.255 321 N HN 0.253 nan 8.380 nan 0.000 0.447 322 H N -0.745 118.321 119.070 -0.006 0.000 2.681 322 H HA 0.285 4.841 4.556 -0.000 0.000 0.268 322 H C 0.021 175.354 175.328 0.009 0.000 0.967 322 H CA 0.298 56.345 56.048 -0.003 0.000 1.233 322 H CB 1.312 31.055 29.762 -0.033 0.000 1.445 322 H HN -0.050 nan 8.280 nan 0.000 0.494 323 L N 1.929 123.213 121.223 0.102 0.000 2.839 323 L HA 0.297 4.637 4.340 -0.000 0.000 0.259 323 L C -1.946 175.054 176.870 0.217 0.000 1.369 323 L CA -1.469 53.425 54.840 0.090 0.000 0.845 323 L CB 1.418 43.462 42.059 -0.026 0.000 1.181 323 L HN -0.070 nan 8.230 nan 0.000 0.529 324 P HA 0.023 nan 4.420 nan 0.000 0.229 324 P C 1.295 178.676 177.300 0.134 0.000 1.160 324 P CA 0.742 63.947 63.100 0.175 0.000 0.777 324 P CB 0.496 32.253 31.700 0.096 0.000 0.814 325 N N -0.276 118.504 118.700 0.134 0.000 2.333 325 N HA 0.018 4.758 4.740 -0.000 0.000 0.178 325 N C 0.633 176.200 175.510 0.095 0.000 1.018 325 N CA 0.231 53.345 53.050 0.106 0.000 0.882 325 N CB -0.381 38.189 38.487 0.139 0.000 0.984 325 N HN -0.074 nan 8.380 nan 0.000 0.434 326 A N 0.034 122.938 122.820 0.139 0.000 2.313 326 A HA 0.258 4.578 4.320 -0.000 0.000 0.261 326 A C -0.119 177.488 177.584 0.039 0.000 1.090 326 A CA -0.228 51.858 52.037 0.080 0.000 0.807 326 A CB 0.252 19.259 19.000 0.012 0.000 1.055 326 A HN 0.247 nan 8.150 nan 0.000 0.492 327 E N 0.088 120.246 120.200 -0.070 0.000 2.197 327 E HA 0.572 4.922 4.350 -0.000 0.000 0.281 327 E C -1.321 175.347 176.600 0.113 0.000 0.995 327 E CA 0.125 56.468 56.400 -0.094 0.000 0.808 327 E CB 1.236 30.867 29.700 -0.115 0.000 1.093 327 E HN 0.481 nan 8.360 nan 0.000 0.394 328 F N -1.784 118.230 119.950 0.107 0.000 2.693 328 F HA 0.430 4.957 4.527 -0.000 0.000 0.309 328 F C -0.144 175.751 175.800 0.158 0.000 1.129 328 F CA -1.306 56.798 58.000 0.173 0.000 0.948 328 F CB 0.621 39.755 39.000 0.222 0.000 1.315 328 F HN 0.132 nan 8.300 nan 0.000 0.447 329 T N -0.339 114.436 114.554 0.368 0.000 2.904 329 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 329 T C -0.509 174.344 174.700 0.255 0.000 1.018 329 T CA -0.929 61.311 62.100 0.233 0.000 1.075 329 T CB 1.108 70.101 68.868 0.208 0.000 0.986 329 T HN 0.592 nan 8.240 nan 0.000 0.523 330 K N 3.236 123.724 120.400 0.148 0.000 2.432 330 K HA 0.315 4.635 4.320 -0.000 0.000 0.226 330 K C -2.436 174.236 176.600 0.120 0.000 1.057 330 K CA -1.983 54.385 56.287 0.134 0.000 1.034 330 K CB 0.648 33.192 32.500 0.073 0.000 1.561 330 K HN 0.606 nan 8.250 nan 0.000 0.492 331 P HA 0.133 nan 4.420 nan 0.000 0.271 331 P C 0.558 177.972 177.300 0.191 0.000 1.216 331 P CA -0.195 63.007 63.100 0.170 0.000 0.771 331 P CB 0.690 32.536 31.700 0.245 0.000 0.864 332 I N -0.598 120.069 120.570 0.161 0.000 3.941 332 I HA 0.637 4.807 4.170 -0.000 0.000 0.335 332 I C 0.251 176.445 176.117 0.130 0.000 1.402 332 I CA -0.498 60.911 61.300 0.181 0.000 1.112 332 I CB 0.257 38.317 38.000 0.101 0.000 1.043 332 I HN 0.277 nan 8.210 nan 0.000 0.395 333 A N 0.221 123.100 122.820 0.098 0.000 2.567 333 A HA 0.755 5.075 4.320 -0.000 0.000 0.291 333 A C -0.059 177.510 177.584 -0.025 0.000 1.048 333 A CA -0.104 51.848 52.037 -0.142 0.000 0.661 333 A CB 0.308 19.238 19.000 -0.116 0.000 1.288 333 A HN 1.059 nan 8.150 nan 0.000 0.424 334 G N -0.483 108.230 108.800 -0.145 0.000 2.482 334 G HA2 0.283 4.243 3.960 -0.000 0.000 0.214 334 G HA3 0.283 4.243 3.960 -0.000 0.000 0.214 334 G C 0.228 174.919 174.900 -0.349 0.000 1.271 334 G CA 0.690 45.603 45.100 -0.313 0.000 0.944 334 G HN 2.399 nan 8.290 nan 0.000 0.568 335 M N -2.192 116.905 119.600 -0.838 0.000 3.052 335 M HA 0.639 5.119 4.480 -0.000 0.000 0.469 335 M C -0.561 174.670 176.300 -1.782 0.000 1.392 335 M CA -0.226 54.151 55.300 -1.539 0.000 0.804 335 M CB 0.468 32.249 32.600 -1.366 0.000 1.610 335 M HN 0.354 nan 8.290 nan 0.000 0.556 336 F N 0.128 119.809 119.950 -0.449 0.000 2.603 336 F HA 0.839 5.366 4.527 -0.000 0.000 0.317 336 F C -0.465 175.416 175.800 0.135 0.000 1.066 336 F CA -1.311 56.588 58.000 -0.168 0.000 0.941 336 F CB 2.291 41.155 39.000 -0.228 0.000 1.291 336 F HN -0.261 nan 8.300 nan 0.000 0.472 337 V N 2.501 122.624 119.914 0.349 0.000 2.623 337 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 337 V C -0.867 175.322 176.094 0.158 0.000 1.054 337 V CA -0.630 61.831 62.300 0.268 0.000 0.882 337 V CB 1.954 33.929 31.823 0.253 0.000 1.002 337 V HN 0.691 nan 8.190 nan 0.000 0.424 338 M N 5.904 125.565 119.600 0.102 0.000 2.063 338 M HA 0.528 5.008 4.480 -0.000 0.000 0.348 338 M C -1.159 175.073 176.300 -0.113 0.000 1.180 338 M CA -0.341 54.903 55.300 -0.094 0.000 1.059 338 M CB 0.537 33.032 32.600 -0.176 0.000 1.544 338 M HN 0.533 nan 8.290 nan 0.000 0.447 339 F N 5.072 124.853 119.950 -0.282 0.000 2.397 339 F HA 0.697 5.224 4.527 -0.000 0.000 0.331 339 F C -1.616 173.935 175.800 -0.415 0.000 1.090 339 F CA -0.592 57.317 58.000 -0.153 0.000 1.065 339 F CB 0.754 39.715 39.000 -0.065 0.000 1.184 339 F HN 0.477 nan 8.300 nan 0.000 0.499 340 F N 5.762 125.245 119.950 -0.780 0.000 2.518 340 F HA 0.450 4.977 4.527 -0.000 0.000 0.323 340 F C -0.739 174.677 175.800 -0.640 0.000 1.129 340 F CA -0.845 56.855 58.000 -0.501 0.000 0.920 340 F CB 1.228 40.049 39.000 -0.299 0.000 1.160 340 F HN 0.173 nan 8.300 nan 0.000 0.440 341 L N 4.399 125.523 121.223 -0.164 0.000 2.479 341 L HA 0.428 4.768 4.340 -0.000 0.000 0.248 341 L C -2.019 174.672 176.870 -0.299 0.000 1.205 341 L CA -2.246 52.447 54.840 -0.245 0.000 0.817 341 L CB -0.301 41.591 42.059 -0.280 0.000 1.162 341 L HN 0.333 nan 8.230 nan 0.000 0.486 342 P HA 0.011 nan 4.420 nan 0.000 0.266 342 P C -0.938 176.233 177.300 -0.216 0.000 1.195 342 P CA -0.334 62.530 63.100 -0.394 0.000 0.768 342 P CB 0.155 31.510 31.700 -0.575 0.000 0.838 343 E N 2.896 123.008 120.200 -0.147 0.000 2.606 343 E HA 0.034 4.384 4.350 -0.000 0.000 0.248 343 E C 1.048 177.608 176.600 -0.067 0.000 1.005 343 E CA 0.787 57.126 56.400 -0.102 0.000 0.946 343 E CB -0.979 28.661 29.700 -0.100 0.000 0.928 343 E HN 0.784 nan 8.360 nan 0.000 0.494 344 G N 2.337 111.109 108.800 -0.047 0.000 2.436 344 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.204 344 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.204 344 G C 0.448 175.357 174.900 0.015 0.000 1.026 344 G CA 0.140 45.231 45.100 -0.014 0.000 0.658 344 G HN 1.072 nan 8.290 nan 0.000 0.499 345 A N 0.501 123.334 122.820 0.021 0.000 2.520 345 A HA 0.459 4.779 4.320 -0.000 0.000 0.235 345 A C 0.174 177.801 177.584 0.072 0.000 1.065 345 A CA 1.168 53.257 52.037 0.086 0.000 0.764 345 A CB 0.039 19.100 19.000 0.102 0.000 1.002 345 A HN 0.704 nan 8.150 nan 0.000 0.502 346 D N 0.941 121.408 120.400 0.111 0.000 2.317 346 D HA 0.433 5.073 4.640 -0.000 0.000 0.252 346 D C 1.279 177.680 176.300 0.168 0.000 1.174 346 D CA 0.784 54.853 54.000 0.115 0.000 0.866 346 D CB 0.834 41.703 40.800 0.115 0.000 1.127 346 D HN 0.444 nan 8.370 nan 0.000 0.467 347 G N 3.035 111.924 108.800 0.147 0.000 2.551 347 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 347 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 347 G C 1.358 176.395 174.900 0.229 0.000 1.137 347 G CA 0.698 45.921 45.100 0.205 0.000 0.798 347 G HN 0.651 nan 8.290 nan 0.000 0.536 348 I N 0.073 120.744 120.570 0.169 0.000 2.584 348 I HA 0.071 4.241 4.170 -0.000 0.000 0.255 348 I C 2.529 178.727 176.117 0.135 0.000 1.145 348 I CA 1.728 63.113 61.300 0.141 0.000 1.462 348 I CB -0.248 37.814 38.000 0.103 0.000 1.102 348 I HN 0.072 nan 8.210 nan 0.000 0.433 349 S N 0.298 116.088 115.700 0.151 0.000 2.425 349 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 349 S C 1.946 176.646 174.600 0.165 0.000 1.024 349 S CA 0.389 58.666 58.200 0.129 0.000 0.951 349 S CB -1.213 62.057 63.200 0.117 0.000 0.796 349 S HN 0.489 nan 8.310 nan 0.000 0.498 350 F N 2.987 122.991 119.950 0.091 0.000 2.259 350 F HA 0.280 4.807 4.527 -0.000 0.000 0.298 350 F C 2.403 178.262 175.800 0.099 0.000 1.088 350 F CA 0.529 58.596 58.000 0.112 0.000 1.358 350 F CB -0.677 38.430 39.000 0.179 0.000 1.040 350 F HN 0.291 nan 8.300 nan 0.000 0.505 351 A N 0.191 123.086 122.820 0.125 0.000 2.015 351 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 351 A C 2.065 179.623 177.584 -0.045 0.000 1.163 351 A CA 1.566 53.619 52.037 0.027 0.000 0.646 351 A CB -0.710 18.357 19.000 0.111 0.000 0.806 351 A HN 0.465 nan 8.150 nan 0.000 0.448 352 N N 0.049 118.738 118.700 -0.019 0.000 2.109 352 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 352 N C 1.611 177.076 175.510 -0.076 0.000 1.034 352 N CA 1.393 54.428 53.050 -0.026 0.000 0.846 352 N CB -0.430 38.061 38.487 0.006 0.000 1.010 352 N HN 0.609 nan 8.380 nan 0.000 0.425 353 E N 1.021 121.152 120.200 -0.114 0.000 2.118 353 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 353 E C 1.995 178.475 176.600 -0.199 0.000 0.992 353 E CA 0.469 56.781 56.400 -0.147 0.000 0.804 353 E CB -0.111 29.494 29.700 -0.158 0.000 0.741 353 E HN 0.299 nan 8.360 nan 0.000 0.458 354 L N 0.058 121.104 121.223 -0.295 0.000 2.191 354 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 354 L C 2.377 179.168 176.870 -0.132 0.000 1.103 354 L CA 0.882 55.574 54.840 -0.247 0.000 0.769 354 L CB -0.155 41.743 42.059 -0.269 0.000 0.908 354 L HN 0.287 nan 8.230 nan 0.000 0.438 355 M N -1.309 118.231 119.600 -0.100 0.000 2.398 355 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 355 M C 1.935 178.204 176.300 -0.051 0.000 1.125 355 M CA 1.054 56.319 55.300 -0.059 0.000 1.183 355 M CB -0.095 32.482 32.600 -0.038 0.000 1.322 355 M HN 0.092 nan 8.290 nan 0.000 0.467 356 E N 0.258 120.428 120.200 -0.051 0.000 2.331 356 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 356 E C 1.682 178.258 176.600 -0.041 0.000 1.008 356 E CA 0.897 57.274 56.400 -0.039 0.000 0.843 356 E CB 0.117 29.797 29.700 -0.033 0.000 0.761 356 E HN 0.496 nan 8.360 nan 0.000 0.507 357 R N -0.693 119.773 120.500 -0.056 0.000 2.493 357 R HA 0.109 4.449 4.340 -0.000 0.000 0.177 357 R C 1.622 177.893 176.300 -0.049 0.000 0.861 357 R CA -0.043 56.028 56.100 -0.050 0.000 1.083 357 R CB 0.278 30.546 30.300 -0.054 0.000 1.328 357 R HN -0.063 nan 8.270 nan 0.000 0.615 358 E N 0.466 120.627 120.200 -0.066 0.000 2.447 358 E HA 0.114 4.464 4.350 -0.000 0.000 0.195 358 E C 0.774 177.343 176.600 -0.052 0.000 1.028 358 E CA 0.673 57.038 56.400 -0.059 0.000 0.876 358 E CB 0.779 30.435 29.700 -0.073 0.000 0.885 358 E HN 0.550 nan 8.360 nan 0.000 0.500 359 G N 1.594 110.364 108.800 -0.050 0.000 2.176 359 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 359 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 359 G C 0.024 174.902 174.900 -0.037 0.000 1.024 359 G CA 0.601 45.678 45.100 -0.038 0.000 0.755 359 G HN 0.259 nan 8.290 nan 0.000 0.507 360 V N -0.043 119.842 119.914 -0.049 0.000 2.604 360 V HA 0.747 4.867 4.120 -0.000 0.000 0.305 360 V C 0.135 176.207 176.094 -0.037 0.000 1.043 360 V CA -0.720 61.555 62.300 -0.042 0.000 0.888 360 V CB 2.162 33.952 31.823 -0.055 0.000 0.995 360 V HN 0.554 nan 8.190 nan 0.000 0.429 361 V N 7.325 127.231 119.914 -0.014 0.000 2.407 361 V HA 0.661 4.781 4.120 -0.000 0.000 0.278 361 V C -0.065 176.039 176.094 0.018 0.000 1.037 361 V CA -0.160 62.141 62.300 0.002 0.000 0.900 361 V CB 1.299 33.132 31.823 0.017 0.000 0.983 361 V HN 0.925 nan 8.190 nan 0.000 0.459 362 V N 2.795 122.725 119.914 0.027 0.000 3.007 362 V HA 0.737 4.857 4.120 -0.000 0.000 0.311 362 V C -0.528 175.613 176.094 0.080 0.000 1.120 362 V CA -0.895 61.436 62.300 0.052 0.000 0.980 362 V CB 1.936 33.790 31.823 0.051 0.000 1.033 362 V HN 0.432 nan 8.190 nan 0.000 0.429 363 V N 4.089 124.059 119.914 0.094 0.000 2.465 363 V HA 0.305 4.425 4.120 -0.000 0.000 0.279 363 V C -1.347 174.832 176.094 0.141 0.000 1.045 363 V CA -1.227 61.151 62.300 0.130 0.000 0.938 363 V CB 1.195 33.110 31.823 0.153 0.000 0.986 363 V HN 0.851 nan 8.190 nan 0.000 0.467 364 P HA -0.120 nan 4.420 nan 0.000 0.215 364 P C 1.342 178.764 177.300 0.204 0.000 1.157 364 P CA 2.197 65.412 63.100 0.191 0.000 0.874 364 P CB 0.122 31.932 31.700 0.184 0.000 0.790 365 G N -1.513 107.488 108.800 0.335 0.000 2.363 365 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.238 365 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.238 365 G C 1.270 176.526 174.900 0.594 0.000 1.062 365 G CA 0.875 46.176 45.100 0.334 0.000 0.629 365 G HN 0.409 nan 8.290 nan 0.000 0.514 366 K N 2.134 122.758 120.400 0.375 0.000 2.074 366 K HA -0.049 4.271 4.320 -0.000 0.000 0.209 366 K C 0.215 177.032 176.600 0.361 0.000 1.048 366 K CA 2.357 58.815 56.287 0.285 0.000 0.926 366 K CB -1.049 31.531 32.500 0.133 0.000 0.713 366 K HN 0.458 nan 8.250 nan 0.000 0.444 367 P HA -0.086 nan 4.420 nan 0.000 0.239 367 P C 0.346 177.668 177.300 0.036 0.000 1.184 367 P CA 0.819 63.976 63.100 0.097 0.000 0.760 367 P CB -0.100 31.575 31.700 -0.041 0.000 0.884 368 F N -1.749 118.284 119.950 0.138 0.000 2.789 368 F HA 0.136 4.663 4.527 -0.000 0.000 0.300 368 F C 1.239 177.009 175.800 -0.050 0.000 1.132 368 F CA -0.019 57.989 58.000 0.014 0.000 1.404 368 F CB -0.597 38.370 39.000 -0.056 0.000 1.114 368 F HN -0.172 nan 8.300 nan 0.000 0.584 369 Y N -0.047 120.363 120.300 0.183 0.000 2.301 369 Y HA 0.180 4.730 4.550 -0.000 0.000 0.325 369 Y C 1.826 177.769 175.900 0.072 0.000 1.203 369 Y CA -0.325 57.849 58.100 0.124 0.000 1.255 369 Y CB 0.953 39.482 38.460 0.115 0.000 1.232 369 Y HN -0.104 nan 8.280 nan 0.000 0.501 370 T N -2.883 111.778 114.554 0.180 0.000 3.129 370 T HA 0.109 4.459 4.350 -0.000 0.000 0.251 370 T C -0.196 174.568 174.700 0.106 0.000 1.117 370 T CA 0.523 62.688 62.100 0.108 0.000 1.034 370 T CB -0.429 68.484 68.868 0.075 0.000 0.968 370 T HN 0.726 nan 8.240 nan 0.000 0.526 371 D N -0.247 120.242 120.400 0.148 0.000 3.344 371 D HA 0.216 4.855 4.640 -0.000 0.000 0.308 371 D C 0.578 176.931 176.300 0.089 0.000 1.356 371 D CA -0.641 53.419 54.000 0.099 0.000 0.998 371 D CB 0.046 40.895 40.800 0.082 0.000 1.370 371 D HN -0.147 nan 8.370 nan 0.000 0.610 372 E N -0.140 120.089 120.200 0.049 0.000 2.482 372 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 372 E C 0.200 176.781 176.600 -0.032 0.000 1.047 372 E CA 0.247 56.656 56.400 0.015 0.000 0.869 372 E CB -0.205 29.499 29.700 0.007 0.000 0.836 372 E HN 0.287 nan 8.360 nan 0.000 0.520 373 S N -0.585 115.097 115.700 -0.030 0.000 2.608 373 S HA 0.401 4.871 4.470 -0.000 0.000 0.261 373 S C 1.188 175.415 174.600 -0.622 0.000 1.314 373 S CA 0.258 58.358 58.200 -0.167 0.000 0.992 373 S CB 1.020 64.215 63.200 -0.008 0.000 0.935 373 S HN 0.363 nan 8.310 nan 0.000 0.564 374 G N 0.541 108.817 108.800 -0.874 0.000 2.137 374 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.237 374 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.237 374 G C 0.652 175.285 174.900 -0.446 0.000 1.002 374 G CA 0.644 44.955 45.100 -1.315 0.000 0.702 374 G HN 0.642 nan 8.290 nan 0.000 0.515 375 K N 0.951 121.218 120.400 -0.221 0.000 2.001 375 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 375 K C 2.368 178.967 176.600 -0.003 0.000 1.048 375 K CA 1.521 57.767 56.287 -0.068 0.000 0.932 375 K CB -0.254 32.223 32.500 -0.038 0.000 0.715 375 K HN 0.469 nan 8.250 nan 0.000 0.437 376 N N 0.651 119.354 118.700 0.004 0.000 2.575 376 N HA -0.035 4.705 4.740 -0.000 0.000 0.192 376 N C -0.193 175.374 175.510 0.095 0.000 1.200 376 N CA 0.420 53.495 53.050 0.042 0.000 0.897 376 N CB -0.219 38.275 38.487 0.011 0.000 0.990 376 N HN 0.146 nan 8.380 nan 0.000 0.449 377 A N 0.494 123.367 122.820 0.088 0.000 2.322 377 A HA 0.601 4.921 4.320 -0.000 0.000 0.269 377 A C -0.426 177.153 177.584 -0.009 0.000 1.094 377 A CA -0.278 51.740 52.037 -0.033 0.000 0.807 377 A CB 0.246 19.297 19.000 0.084 0.000 1.047 377 A HN 0.239 nan 8.150 nan 0.000 0.487 378 I N 0.472 120.981 120.570 -0.101 0.000 2.610 378 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 378 I C 0.011 176.105 176.117 -0.038 0.000 1.163 378 I CA -0.035 61.295 61.300 0.051 0.000 1.044 378 I CB 2.083 40.237 38.000 0.257 0.000 1.251 378 I HN 0.793 nan 8.210 nan 0.000 0.424 379 R N 6.356 126.815 120.500 -0.067 0.000 2.404 379 R HA 0.809 5.149 4.340 -0.000 0.000 0.291 379 R C -1.573 174.732 176.300 0.009 0.000 1.025 379 R CA -0.492 55.529 56.100 -0.130 0.000 0.991 379 R CB 0.876 30.953 30.300 -0.373 0.000 1.053 379 R HN 0.609 nan 8.270 nan 0.000 0.479 380 L N 3.522 124.794 121.223 0.081 0.000 2.385 380 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 380 L C -0.329 176.680 176.870 0.231 0.000 0.990 380 L CA -0.855 54.063 54.840 0.129 0.000 0.821 380 L CB 1.962 44.072 42.059 0.086 0.000 1.279 380 L HN 0.658 nan 8.230 nan 0.000 0.412 381 N N 2.046 120.855 118.700 0.182 0.000 2.417 381 N HA 0.399 5.139 4.740 -0.000 0.000 0.300 381 N C -0.439 175.084 175.510 0.021 0.000 1.102 381 N CA -0.429 52.640 53.050 0.031 0.000 0.886 381 N CB 1.968 40.474 38.487 0.033 0.000 1.203 381 N HN 0.628 nan 8.380 nan 0.000 0.496 382 F N 0.442 120.340 119.950 -0.087 0.000 2.856 382 F HA 0.308 4.835 4.527 -0.000 0.000 0.338 382 F C 1.548 177.343 175.800 -0.009 0.000 1.100 382 F CA -0.475 57.498 58.000 -0.044 0.000 1.150 382 F CB -0.224 38.749 39.000 -0.045 0.000 1.101 382 F HN 0.338 nan 8.300 nan 0.000 0.548 383 S N 0.049 115.569 115.700 -0.300 0.000 2.436 383 S HA 0.024 4.494 4.470 -0.000 0.000 0.228 383 S C 2.003 176.677 174.600 0.123 0.000 1.014 383 S CA 0.479 58.629 58.200 -0.083 0.000 0.950 383 S CB -0.296 62.636 63.200 -0.446 0.000 0.784 383 S HN 0.503 nan 8.310 nan 0.000 0.504 384 R N 1.479 122.002 120.500 0.037 0.000 2.087 384 R HA 0.239 4.579 4.340 -0.000 0.000 0.216 384 R C -1.935 174.409 176.300 0.074 0.000 1.114 384 R CA -0.504 55.639 56.100 0.072 0.000 1.002 384 R CB -0.984 29.343 30.300 0.046 0.000 0.903 384 R HN 0.311 nan 8.270 nan 0.000 0.445 385 P HA -0.055 nan 4.420 nan 0.000 0.266 385 P C -0.438 176.896 177.300 0.055 0.000 1.193 385 P CA 0.431 63.564 63.100 0.055 0.000 0.770 385 P CB 0.777 32.510 31.700 0.056 0.000 0.836 386 S N 1.706 117.426 115.700 0.033 0.000 2.634 386 S HA 0.201 4.671 4.470 -0.000 0.000 0.261 386 S C 1.048 175.657 174.600 0.015 0.000 1.271 386 S CA -0.396 57.816 58.200 0.021 0.000 0.985 386 S CB 0.640 63.846 63.200 0.010 0.000 0.968 386 S HN 0.299 nan 8.310 nan 0.000 0.568 387 K N 0.389 120.791 120.400 0.002 0.000 2.147 387 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 387 K C 2.098 178.692 176.600 -0.009 0.000 1.049 387 K CA 1.478 57.761 56.287 -0.007 0.000 0.936 387 K CB -0.132 32.357 32.500 -0.019 0.000 0.722 387 K HN 0.652 nan 8.250 nan 0.000 0.446 388 E N 0.869 121.065 120.200 -0.007 0.000 2.076 388 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 388 E C 1.795 178.389 176.600 -0.010 0.000 0.979 388 E CA 0.719 57.114 56.400 -0.009 0.000 0.807 388 E CB 0.229 29.924 29.700 -0.008 0.000 0.761 388 E HN 0.310 nan 8.360 nan 0.000 0.454 389 E N 0.737 120.935 120.200 -0.004 0.000 2.058 389 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 389 E C 2.195 178.788 176.600 -0.012 0.000 0.997 389 E CA 1.135 57.532 56.400 -0.006 0.000 0.801 389 E CB -0.184 29.518 29.700 0.004 0.000 0.746 389 E HN 0.266 nan 8.360 nan 0.000 0.450 390 I N 0.917 121.485 120.570 -0.004 0.000 2.087 390 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 390 I C -0.714 175.381 176.117 -0.036 0.000 1.054 390 I CA 1.497 62.790 61.300 -0.012 0.000 1.311 390 I CB -1.460 36.539 38.000 -0.001 0.000 1.024 390 I HN 0.106 nan 8.210 nan 0.000 0.402 391 P HA -0.159 nan 4.420 nan 0.000 0.215 391 P C 1.843 179.106 177.300 -0.062 0.000 1.157 391 P CA 1.663 64.743 63.100 -0.033 0.000 0.868 391 P CB -0.043 31.650 31.700 -0.012 0.000 0.788 392 I N -1.188 119.350 120.570 -0.053 0.000 2.252 392 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 392 I C 2.543 178.613 176.117 -0.078 0.000 1.102 392 I CA 1.593 62.853 61.300 -0.066 0.000 1.385 392 I CB -1.512 36.462 38.000 -0.044 0.000 1.064 392 I HN -0.007 nan 8.210 nan 0.000 0.414 393 G N 2.458 111.220 108.800 -0.063 0.000 2.514 393 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 393 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 393 G C 1.656 176.496 174.900 -0.100 0.000 1.198 393 G CA 1.465 46.525 45.100 -0.066 0.000 0.780 393 G HN 0.551 nan 8.290 nan 0.000 0.565 394 I N -0.976 119.522 120.570 -0.121 0.000 2.928 394 I HA 0.242 4.412 4.170 -0.000 0.000 0.266 394 I C 2.172 178.171 176.117 -0.198 0.000 1.234 394 I CA 1.597 62.790 61.300 -0.178 0.000 1.483 394 I CB -0.054 37.826 38.000 -0.199 0.000 1.097 394 I HN 0.120 nan 8.210 nan 0.000 0.455 395 K N 1.322 121.598 120.400 -0.206 0.000 2.062 395 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 395 K C 2.051 178.535 176.600 -0.194 0.000 1.051 395 K CA 1.258 57.356 56.287 -0.316 0.000 0.941 395 K CB 0.013 32.310 32.500 -0.337 0.000 0.719 395 K HN 0.358 nan 8.250 nan 0.000 0.440 396 K N 0.841 121.162 120.400 -0.131 0.000 2.148 396 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 396 K C 2.011 178.575 176.600 -0.061 0.000 1.050 396 K CA 0.732 56.968 56.287 -0.085 0.000 0.942 396 K CB -0.099 32.356 32.500 -0.075 0.000 0.724 396 K HN 0.190 nan 8.250 nan 0.000 0.446 397 L N 0.920 122.094 121.223 -0.082 0.000 2.093 397 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 397 L C 2.096 179.004 176.870 0.062 0.000 1.085 397 L CA 1.798 56.613 54.840 -0.042 0.000 0.755 397 L CB -0.868 41.103 42.059 -0.147 0.000 0.904 397 L HN 0.096 nan 8.230 nan 0.000 0.435 398 A N -0.221 122.580 122.820 -0.031 0.000 2.014 398 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 398 A C 2.157 179.834 177.584 0.155 0.000 1.163 398 A CA 1.286 53.352 52.037 0.047 0.000 0.652 398 A CB -0.287 18.679 19.000 -0.057 0.000 0.808 398 A HN 0.347 nan 8.150 nan 0.000 0.449 399 K N -0.184 120.257 120.400 0.069 0.000 2.002 399 K HA 0.051 4.371 4.320 -0.000 0.000 0.209 399 K C 1.738 178.420 176.600 0.138 0.000 1.048 399 K CA 1.128 57.459 56.287 0.074 0.000 0.930 399 K CB -0.484 32.022 32.500 0.010 0.000 0.714 399 K HN 0.449 nan 8.250 nan 0.000 0.438 400 L N -0.207 121.112 121.223 0.159 0.000 2.291 400 L HA -0.130 4.210 4.340 -0.000 0.000 0.214 400 L C 1.785 178.907 176.870 0.420 0.000 1.120 400 L CA 0.746 55.708 54.840 0.202 0.000 0.799 400 L CB -0.159 41.944 42.059 0.074 0.000 0.925 400 L HN 0.247 nan 8.230 nan 0.000 0.446 401 Y N 0.885 121.416 120.300 0.385 0.000 2.062 401 Y HA -0.309 4.241 4.550 -0.000 0.000 0.272 401 Y C 2.599 178.746 175.900 0.412 0.000 1.117 401 Y CA 1.698 60.088 58.100 0.483 0.000 1.095 401 Y CB -0.052 38.629 38.460 0.369 0.000 0.985 401 Y HN -0.106 nan 8.280 nan 0.000 0.479 402 K N 0.840 121.490 120.400 0.417 0.000 2.280 402 K HA -0.210 4.110 4.320 -0.000 0.000 0.202 402 K C 1.794 178.457 176.600 0.105 0.000 1.047 402 K CA 1.389 57.822 56.287 0.242 0.000 0.942 402 K CB -0.386 32.263 32.500 0.248 0.000 0.739 402 K HN 0.564 nan 8.250 nan 0.000 0.457 403 E N 0.389 120.652 120.200 0.104 0.000 2.515 403 E HA -0.115 4.235 4.350 -0.000 0.000 0.201 403 E C 0.748 177.305 176.600 -0.072 0.000 1.071 403 E CA 0.748 57.166 56.400 0.031 0.000 0.880 403 E CB 0.269 30.002 29.700 0.055 0.000 0.828 403 E HN 0.144 nan 8.360 nan 0.000 0.540 404 K N -1.508 118.770 120.400 -0.203 0.000 2.574 404 K HA 0.168 4.488 4.320 -0.000 0.000 0.215 404 K C -0.445 175.617 176.600 -0.897 0.000 1.485 404 K CA -0.123 55.815 56.287 -0.582 0.000 1.006 404 K CB 0.871 32.880 32.500 -0.818 0.000 1.254 404 K HN -0.094 nan 8.250 nan 0.000 0.580 405 F N 0.000 119.861 119.950 -0.148 0.000 2.286 405 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 405 F CA 0.000 57.901 58.000 -0.165 0.000 1.383 405 F CB 0.000 38.801 39.000 -0.332 0.000 1.145 405 F HN 0.000 nan 8.300 nan 0.000 0.574