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_D 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 0.000 176.117 176.300 -0.305 0.000 1.140 1 M CA 0.000 55.149 55.300 -0.251 0.000 0.988 1 M CB 0.000 32.334 32.600 -0.443 0.000 1.302 2 D N 3.169 123.460 120.400 -0.183 0.000 2.411 2 D HA 0.248 4.888 4.640 -0.000 0.000 0.225 2 D C -0.104 176.201 176.300 0.009 0.000 1.156 2 D CA 0.283 54.246 54.000 -0.061 0.000 0.874 2 D CB 0.345 41.141 40.800 -0.006 0.000 1.034 2 D HN 0.548 nan 8.370 nan 0.000 0.502 3 Y N 1.603 122.003 120.300 0.167 0.000 2.509 3 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 3 Y C 2.505 178.563 175.900 0.264 0.000 1.133 3 Y CA 0.524 58.774 58.100 0.251 0.000 1.283 3 Y CB 0.006 38.512 38.460 0.076 0.000 1.001 3 Y HN 0.326 nan 8.280 nan 0.000 0.555 4 T N 0.273 114.976 114.554 0.249 0.000 2.721 4 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 4 T C 1.734 176.465 174.700 0.051 0.000 1.038 4 T CA 1.747 63.920 62.100 0.122 0.000 1.145 4 T CB -0.193 68.712 68.868 0.062 0.000 0.858 4 T HN 0.388 nan 8.240 nan 0.000 0.459 5 K N -0.345 120.043 120.400 -0.019 0.000 2.288 5 K HA -0.034 4.286 4.320 -0.000 0.000 0.201 5 K C 1.567 177.943 176.600 -0.372 0.000 1.048 5 K CA 1.028 57.161 56.287 -0.257 0.000 0.956 5 K CB -0.079 32.147 32.500 -0.456 0.000 0.746 5 K HN 0.501 nan 8.250 nan 0.000 0.461 6 Y N 0.858 121.171 120.300 0.023 0.000 2.500 6 Y HA 0.130 4.680 4.550 -0.000 0.000 0.270 6 Y C 0.831 176.740 175.900 0.016 0.000 1.134 6 Y CA -0.300 57.817 58.100 0.029 0.000 1.293 6 Y CB -0.119 38.386 38.460 0.074 0.000 1.063 6 Y HN -0.130 nan 8.280 nan 0.000 0.534 7 L N 0.540 121.831 121.223 0.114 0.000 2.483 7 L HA 0.236 4.576 4.340 -0.000 0.000 0.275 7 L C 0.654 177.513 176.870 -0.018 0.000 1.220 7 L CA -0.563 54.305 54.840 0.046 0.000 0.833 7 L CB 0.308 42.382 42.059 0.025 0.000 1.102 7 L HN 0.092 nan 8.230 nan 0.000 0.490 8 A N 1.375 124.168 122.820 -0.046 0.000 2.327 8 A HA 0.464 4.784 4.320 -0.000 0.000 0.283 8 A C 1.182 178.667 177.584 -0.164 0.000 1.127 8 A CA 0.065 52.046 52.037 -0.093 0.000 0.810 8 A CB 0.978 19.924 19.000 -0.091 0.000 1.066 8 A HN 0.943 nan 8.150 nan 0.000 0.492 9 G N 1.461 110.140 108.800 -0.203 0.000 2.475 9 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 9 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 9 G C 1.429 176.018 174.900 -0.518 0.000 1.125 9 G CA 1.203 46.130 45.100 -0.288 0.000 0.755 9 G HN 0.950 nan 8.290 nan 0.000 0.565 10 R N 0.203 120.344 120.500 -0.600 0.000 2.237 10 R HA 0.348 4.688 4.340 -0.000 0.000 0.219 10 R C 2.480 178.489 176.300 -0.486 0.000 1.080 10 R CA 1.134 56.667 56.100 -0.945 0.000 0.995 10 R CB -0.435 29.495 30.300 -0.618 0.000 0.875 10 R HN 0.188 nan 8.270 nan 0.000 0.462 11 A N 1.797 124.455 122.820 -0.271 0.000 2.067 11 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 11 A C 1.560 179.086 177.584 -0.095 0.000 1.158 11 A CA 1.297 53.264 52.037 -0.117 0.000 0.661 11 A CB -0.697 18.259 19.000 -0.073 0.000 0.801 11 A HN 0.580 nan 8.150 nan 0.000 0.452 12 N N -1.221 117.368 118.700 -0.185 0.000 2.453 12 N HA -0.135 4.604 4.740 -0.000 0.000 0.183 12 N C 0.746 176.296 175.510 0.066 0.000 1.041 12 N CA 0.597 53.597 53.050 -0.083 0.000 0.900 12 N CB -0.089 38.330 38.487 -0.113 0.000 0.961 12 N HN 0.678 nan 8.380 nan 0.000 0.443 13 W N 1.167 122.465 121.300 -0.005 0.000 3.047 13 W HA 0.251 4.911 4.660 -0.000 0.000 0.250 13 W C 0.227 176.737 176.519 -0.014 0.000 1.314 13 W CA -0.272 57.068 57.345 -0.008 0.000 1.540 13 W CB -0.483 28.974 29.460 -0.006 0.000 1.127 13 W HN -0.064 nan 8.180 nan 0.000 0.679 14 I N 2.592 123.265 120.570 0.172 0.000 2.342 14 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 14 I C 0.536 176.688 176.117 0.058 0.000 1.010 14 I CA -0.010 61.343 61.300 0.089 0.000 1.308 14 I CB 0.409 38.438 38.000 0.049 0.000 1.400 14 I HN -0.218 nan 8.210 nan 0.000 0.488 15 K N 4.359 124.779 120.400 0.033 0.000 2.466 15 K HA 0.736 5.056 4.320 -0.000 0.000 0.260 15 K C -0.126 176.470 176.600 -0.008 0.000 1.011 15 K CA -1.001 55.296 56.287 0.017 0.000 0.871 15 K CB 1.309 33.823 32.500 0.022 0.000 1.404 15 K HN 0.489 nan 8.250 nan 0.000 0.450 16 G N 0.217 109.012 108.800 -0.009 0.000 2.684 16 G HA2 0.225 4.185 3.960 -0.000 0.000 0.255 16 G HA3 0.225 4.185 3.960 -0.000 0.000 0.255 16 G C -0.289 174.586 174.900 -0.041 0.000 1.219 16 G CA -0.313 44.775 45.100 -0.020 0.000 0.901 16 G HN 0.550 nan 8.290 nan 0.000 0.548 17 S N -1.728 113.942 115.700 -0.050 0.000 2.869 17 S HA 0.696 5.166 4.470 -0.000 0.000 0.237 17 S C 1.152 175.719 174.600 -0.054 0.000 1.077 17 S CA 0.709 58.861 58.200 -0.081 0.000 1.140 17 S CB 1.042 64.183 63.200 -0.098 0.000 1.187 17 S HN 1.464 nan 8.310 nan 0.000 0.571 18 A N -1.151 121.637 122.820 -0.054 0.000 1.806 18 A HA 0.478 4.798 4.320 -0.000 0.000 0.193 18 A C 1.330 178.926 177.584 0.021 0.000 1.883 18 A CA 0.709 52.744 52.037 -0.003 0.000 1.434 18 A CB -0.923 18.084 19.000 0.012 0.000 1.505 18 A HN 1.368 nan 8.150 nan 0.000 0.364 19 L N -0.354 120.865 121.223 -0.007 0.000 2.713 19 L HA 0.704 5.044 4.340 -0.000 0.000 0.245 19 L C 1.549 178.432 176.870 0.022 0.000 1.169 19 L CA 1.733 56.596 54.840 0.039 0.000 0.962 19 L CB -1.716 40.361 42.059 0.030 0.000 1.161 19 L HN 0.950 nan 8.230 nan 0.000 0.427 20 A N -2.016 120.809 122.820 0.008 0.000 1.878 20 A HA 0.343 4.663 4.320 -0.000 0.000 0.201 20 A C 1.992 179.584 177.584 0.013 0.000 1.684 20 A CA 1.373 53.413 52.037 0.005 0.000 1.113 20 A CB -0.362 18.630 19.000 -0.013 0.000 1.131 20 A HN 0.653 nan 8.150 nan 0.000 0.472 21 D N -0.145 120.263 120.400 0.015 0.000 2.144 21 D HA 0.230 4.870 4.640 -0.000 0.000 0.200 21 D C 1.864 178.181 176.300 0.029 0.000 0.978 21 D CA 2.143 56.155 54.000 0.020 0.000 0.833 21 D CB -0.795 40.017 40.800 0.021 0.000 0.961 21 D HN 0.810 nan 8.370 nan 0.000 0.470 22 V N -0.371 119.567 119.914 0.040 0.000 2.488 22 V HA 0.299 4.419 4.120 -0.000 0.000 0.246 22 V C 3.036 179.154 176.094 0.040 0.000 1.046 22 V CA 3.023 65.350 62.300 0.046 0.000 1.053 22 V CB -0.943 30.919 31.823 0.066 0.000 0.679 22 V HN 0.636 nan 8.190 nan 0.000 0.458 23 M N 0.092 119.716 119.600 0.040 0.000 2.557 23 M HA 0.278 4.758 4.480 -0.000 0.000 0.259 23 M C 2.242 178.557 176.300 0.025 0.000 1.086 23 M CA 2.319 57.641 55.300 0.036 0.000 1.096 23 M CB -1.925 30.699 32.600 0.039 0.000 1.424 23 M HN 0.769 nan 8.290 nan 0.000 0.488 24 K N 0.498 120.910 120.400 0.021 0.000 2.284 24 K HA 0.364 4.684 4.320 -0.000 0.000 0.198 24 K C 2.202 178.811 176.600 0.014 0.000 1.048 24 K CA 1.421 57.717 56.287 0.015 0.000 0.987 24 K CB -1.063 31.444 32.500 0.012 0.000 0.800 24 K HN 0.806 nan 8.250 nan 0.000 0.486 25 K N 0.429 120.839 120.400 0.017 0.000 2.365 25 K HA 0.514 4.834 4.320 -0.000 0.000 0.197 25 K C 2.417 179.024 176.600 0.012 0.000 1.042 25 K CA 1.246 57.541 56.287 0.014 0.000 0.987 25 K CB -0.504 32.006 32.500 0.016 0.000 0.779 25 K HN 0.589 nan 8.250 nan 0.000 0.484 26 A N 0.489 123.319 122.820 0.016 0.000 1.984 26 A HA 0.338 4.658 4.320 -0.000 0.000 0.214 26 A C 2.754 180.346 177.584 0.012 0.000 1.173 26 A CA 1.680 53.726 52.037 0.015 0.000 0.673 26 A CB -0.493 18.520 19.000 0.022 0.000 0.830 26 A HN 0.668 nan 8.150 nan 0.000 0.453 27 S N -0.511 115.197 115.700 0.013 0.000 2.461 27 S HA 0.212 4.682 4.470 -0.000 0.000 0.228 27 S C 1.803 176.407 174.600 0.007 0.000 1.005 27 S CA 1.527 59.733 58.200 0.010 0.000 0.942 27 S CB -0.392 62.815 63.200 0.010 0.000 0.776 27 S HN 0.729 nan 8.310 nan 0.000 0.514 28 E N 0.188 120.392 120.200 0.007 0.000 2.285 28 E HA 0.419 4.769 4.350 -0.000 0.000 0.194 28 E C 2.089 178.690 176.600 0.003 0.000 0.997 28 E CA 1.133 57.536 56.400 0.005 0.000 0.845 28 E CB -1.346 28.357 29.700 0.005 0.000 0.782 28 E HN 1.040 nan 8.360 nan 0.000 0.491 29 L N -0.967 120.258 121.223 0.003 0.000 2.416 29 L HA 0.509 4.848 4.340 -0.000 0.000 0.216 29 L C 2.668 179.539 176.870 0.001 0.000 1.098 29 L CA 1.755 56.596 54.840 0.001 0.000 0.840 29 L CB -1.369 40.690 42.059 0.000 0.000 0.981 29 L HN 0.653 nan 8.230 nan 0.000 0.462 30 Q N -0.044 119.758 119.800 0.003 0.000 2.302 30 Q HA 0.101 4.441 4.340 -0.000 0.000 0.202 30 Q C 2.464 178.466 176.000 0.002 0.000 0.936 30 Q CA 2.055 57.860 55.803 0.003 0.000 0.886 30 Q CB -0.820 27.921 28.738 0.006 0.000 0.986 30 Q HN 0.850 nan 8.270 nan 0.000 0.487 31 K N 0.831 121.232 120.400 0.002 0.000 1.985 31 K HA 0.072 4.392 4.320 -0.000 0.000 0.210 31 K C 2.150 178.750 176.600 0.001 0.000 1.047 31 K CA 1.897 58.185 56.287 0.002 0.000 0.932 31 K CB -1.401 nan 32.500 nan 0.000 0.716 31 K HN 0.862 nan 8.250 nan 0.000 0.439 32 K N 1.641 122.042 120.400 0.000 0.000 3.006 32 K HA 0.461 4.781 4.320 -0.000 0.000 0.265 32 K C 0.870 177.470 176.600 -0.001 0.000 1.279 32 K CA 0.107 56.394 56.287 -0.000 0.000 1.229 32 K CB -1.512 nan 32.500 nan 0.000 1.555 32 K HN 1.220 nan 8.250 nan 0.000 0.300 33 G N -0.132 108.667 108.800 -0.000 0.000 2.741 33 G HA2 0.208 4.168 3.960 -0.000 0.000 0.341 33 G HA3 0.208 4.168 3.960 -0.000 0.000 0.341 33 G C 0.199 175.099 174.900 -0.001 0.000 0.174 33 G CA 0.597 45.697 45.100 -0.000 0.000 1.200 33 G HN 1.738 nan 8.290 nan 0.000 0.461 34 V N 0.615 120.529 119.914 -0.001 0.000 2.638 34 V HA 0.955 5.074 4.120 -0.000 0.000 0.306 34 V C 0.422 176.515 176.094 -0.002 0.000 1.052 34 V CA -0.484 61.814 62.300 -0.003 0.000 0.885 34 V CB 1.133 32.954 31.823 -0.004 0.000 0.999 34 V HN 1.231 nan 8.190 nan 0.000 0.424 35 K N 2.183 122.581 120.400 -0.003 0.000 2.485 35 K HA 0.939 5.259 4.320 -0.000 0.000 0.277 35 K C -0.387 176.211 176.600 -0.004 0.000 0.990 35 K CA 0.829 57.114 56.287 -0.003 0.000 0.994 35 K CB 0.359 32.857 32.500 -0.004 0.000 0.906 35 K HN 2.706 nan 8.250 nan 0.000 0.488 36 L N -0.736 120.486 121.223 -0.002 0.000 2.592 36 L HA 0.776 5.116 4.340 -0.000 0.000 0.258 36 L C -0.075 176.796 176.870 0.001 0.000 0.926 36 L CA -0.502 54.337 54.840 -0.002 0.000 0.885 36 L CB 0.266 42.325 42.059 -0.000 0.000 1.380 36 L HN 1.733 nan 8.230 nan 0.000 0.415 37 I N 0.813 121.382 120.570 -0.001 0.000 2.365 37 I HA 0.878 5.048 4.170 -0.000 0.000 0.291 37 I C 0.617 176.740 176.117 0.010 0.000 1.004 37 I CA -0.213 61.089 61.300 0.002 0.000 1.311 37 I CB 1.282 39.278 38.000 -0.007 0.000 1.401 37 I HN 1.402 nan 8.210 nan 0.000 0.491 38 S N 3.869 119.580 115.700 0.019 0.000 2.437 38 S HA 0.727 5.197 4.470 -0.000 0.000 0.305 38 S C -0.097 174.527 174.600 0.041 0.000 1.109 38 S CA -0.243 57.976 58.200 0.031 0.000 1.099 38 S CB 0.831 64.053 63.200 0.037 0.000 1.004 38 S HN 0.693 nan 8.310 nan 0.000 0.475 39 L N 4.574 125.826 121.223 0.048 0.000 3.069 39 L HA 0.498 4.838 4.340 -0.000 0.000 0.271 39 L C 1.629 178.554 176.870 0.092 0.000 1.201 39 L CA 0.427 55.304 54.840 0.062 0.000 1.015 39 L CB -0.124 41.962 42.059 0.044 0.000 1.371 39 L HN 0.777 nan 8.230 nan 0.000 0.574 40 A N -0.088 122.787 122.820 0.092 0.000 1.887 40 A HA 0.481 4.801 4.320 -0.000 0.000 0.212 40 A C 1.550 179.229 177.584 0.158 0.000 1.198 40 A CA 0.618 52.724 52.037 0.117 0.000 0.628 40 A CB -0.482 18.576 19.000 0.097 0.000 0.847 40 A HN 0.254 nan 8.150 nan 0.000 0.449 41 A N -0.674 122.222 122.820 0.127 0.000 2.644 41 A HA 0.321 4.641 4.320 -0.000 0.000 0.230 41 A C 1.073 178.776 177.584 0.198 0.000 1.080 41 A CA 0.752 52.869 52.037 0.133 0.000 0.773 41 A CB -0.284 18.767 19.000 0.084 0.000 1.007 41 A HN 1.224 nan 8.150 nan 0.000 0.512 42 G N 0.372 109.289 108.800 0.194 0.000 4.100 42 G HA2 0.386 4.346 3.960 -0.000 0.000 0.294 42 G HA3 0.386 4.346 3.960 -0.000 0.000 0.294 42 G C -0.320 174.633 174.900 0.088 0.000 1.040 42 G CA -0.151 45.094 45.100 0.242 0.000 0.829 42 G HN 0.686 nan 8.290 nan 0.000 0.505 43 D N 1.450 121.876 120.400 0.044 0.000 2.229 43 D HA 0.331 4.971 4.640 -0.000 0.000 0.249 43 D C -2.273 174.031 176.300 0.007 0.000 1.027 43 D CA -0.925 53.093 54.000 0.030 0.000 0.923 43 D CB 2.717 43.545 40.800 0.046 0.000 1.174 43 D HN 0.067 nan 8.370 nan 0.000 0.443 44 P HA 0.069 nan 4.420 nan 0.000 0.279 44 P C -0.364 177.060 177.300 0.207 0.000 1.252 44 P CA -0.494 62.675 63.100 0.116 0.000 0.811 44 P CB 1.072 32.869 31.700 0.162 0.000 1.035 45 D N 2.481 123.097 120.400 0.359 0.000 2.363 45 D HA 0.016 4.656 4.640 -0.000 0.000 0.263 45 D C -1.015 175.376 176.300 0.151 0.000 1.258 45 D CA -1.714 52.413 54.000 0.213 0.000 0.907 45 D CB 0.553 41.451 40.800 0.164 0.000 1.107 45 D HN 0.193 nan 8.370 nan 0.000 0.495 46 P HA -0.138 nan 4.420 nan 0.000 0.223 46 P C 0.623 177.962 177.300 0.065 0.000 1.144 46 P CA 0.815 63.964 63.100 0.082 0.000 0.783 46 P CB 0.584 32.316 31.700 0.053 0.000 0.771 47 E N -0.316 119.914 120.200 0.051 0.000 2.371 47 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 47 E C 1.973 178.586 176.600 0.021 0.000 1.012 47 E CA 0.373 56.791 56.400 0.029 0.000 0.860 47 E CB -0.399 29.311 29.700 0.015 0.000 0.811 47 E HN 0.403 nan 8.360 nan 0.000 0.502 48 L N 0.507 121.740 121.223 0.017 0.000 2.591 48 L HA 0.216 4.556 4.340 -0.000 0.000 0.228 48 L C 0.818 177.729 176.870 0.070 0.000 1.133 48 L CA 0.078 54.905 54.840 -0.021 0.000 0.880 48 L CB 0.137 42.085 42.059 -0.184 0.000 1.033 48 L HN -0.073 nan 8.230 nan 0.000 0.450 49 I N 1.907 122.536 120.570 0.098 0.000 2.392 49 I HA 0.197 4.367 4.170 -0.000 0.000 0.295 49 I C -1.717 174.434 176.117 0.056 0.000 0.985 49 I CA -1.828 59.545 61.300 0.122 0.000 1.221 49 I CB 1.883 39.967 38.000 0.140 0.000 1.366 49 I HN -0.182 nan 8.210 nan 0.000 0.467 50 P HA 0.139 nan 4.420 nan 0.000 0.231 50 P C 0.395 177.633 177.300 -0.104 0.000 1.756 50 P CA -0.088 62.911 63.100 -0.168 0.000 0.990 50 P CB -0.025 31.270 31.700 -0.674 0.000 1.973 51 R N 1.551 122.043 120.500 -0.014 0.000 2.115 51 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 51 R C 2.230 178.529 176.300 -0.002 0.000 1.133 51 R CA 2.007 58.120 56.100 0.022 0.000 0.935 51 R CB -1.354 28.965 30.300 0.032 0.000 0.853 51 R HN 0.309 nan 8.270 nan 0.000 0.433 52 A N 0.994 123.801 122.820 -0.022 0.000 1.896 52 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 52 A C 2.489 180.046 177.584 -0.046 0.000 1.206 52 A CA 2.394 54.416 52.037 -0.025 0.000 0.647 52 A CB -1.014 17.970 19.000 -0.026 0.000 0.828 52 A HN 0.176 nan 8.150 nan 0.000 0.455 53 V N 0.180 120.023 119.914 -0.118 0.000 2.233 53 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 53 V C 2.596 178.653 176.094 -0.062 0.000 1.050 53 V CA 2.186 64.387 62.300 -0.166 0.000 1.010 53 V CB -0.984 30.570 31.823 -0.447 0.000 0.637 53 V HN 0.599 nan 8.190 nan 0.000 0.444 54 L N 0.479 121.684 121.223 -0.030 0.000 2.013 54 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 54 L C 2.719 179.634 176.870 0.075 0.000 1.073 54 L CA 1.958 56.829 54.840 0.052 0.000 0.753 54 L CB -1.458 40.661 42.059 0.099 0.000 0.890 54 L HN 0.507 nan 8.230 nan 0.000 0.432 55 G N -0.647 108.190 108.800 0.062 0.000 2.476 55 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 55 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 55 G C 1.544 176.471 174.900 0.045 0.000 1.164 55 G CA 0.635 45.770 45.100 0.058 0.000 0.768 55 G HN 0.271 nan 8.290 nan 0.000 0.560 56 E N 0.461 120.679 120.200 0.031 0.000 2.077 56 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 56 E C 2.572 179.200 176.600 0.046 0.000 0.989 56 E CA 1.255 57.673 56.400 0.031 0.000 0.800 56 E CB -0.262 29.451 29.700 0.022 0.000 0.746 56 E HN 0.560 nan 8.360 nan 0.000 0.452 57 I N -0.518 120.091 120.570 0.065 0.000 2.546 57 I HA -0.063 4.107 4.170 -0.000 0.000 0.255 57 I C 2.064 178.222 176.117 0.069 0.000 1.163 57 I CA 1.631 62.979 61.300 0.080 0.000 1.457 57 I CB -0.229 37.843 38.000 0.121 0.000 1.092 57 I HN -0.028 nan 8.210 nan 0.000 0.434 58 A N 1.017 123.882 122.820 0.074 0.000 1.873 58 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 58 A C 2.467 180.080 177.584 0.048 0.000 1.186 58 A CA 1.884 53.968 52.037 0.079 0.000 0.616 58 A CB -0.741 18.321 19.000 0.103 0.000 0.823 58 A HN 0.536 nan 8.150 nan 0.000 0.442 59 K N -0.105 120.318 120.400 0.038 0.000 2.026 59 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 59 K C 1.932 178.538 176.600 0.010 0.000 1.048 59 K CA 1.686 57.986 56.287 0.021 0.000 0.929 59 K CB -0.184 32.327 32.500 0.019 0.000 0.713 59 K HN 0.640 nan 8.250 nan 0.000 0.439 60 E N 0.039 120.248 120.200 0.016 0.000 2.023 60 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 60 E C 2.051 178.638 176.600 -0.021 0.000 1.003 60 E CA 1.679 58.082 56.400 0.005 0.000 0.809 60 E CB -0.177 29.535 29.700 0.020 0.000 0.755 60 E HN 0.067 nan 8.360 nan 0.000 0.449 61 V N 1.731 121.634 119.914 -0.018 0.000 2.231 61 V HA -0.307 3.813 4.120 -0.000 0.000 0.250 61 V C 2.428 178.458 176.094 -0.108 0.000 1.058 61 V CA 1.820 64.074 62.300 -0.077 0.000 1.022 61 V CB -0.556 31.255 31.823 -0.020 0.000 0.640 61 V HN 0.277 nan 8.190 nan 0.000 0.445 62 L N -0.464 120.728 121.223 -0.052 0.000 2.046 62 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 62 L C 2.627 179.464 176.870 -0.054 0.000 1.077 62 L CA 2.001 56.811 54.840 -0.050 0.000 0.747 62 L CB -0.576 41.474 42.059 -0.016 0.000 0.896 62 L HN 0.475 nan 8.230 nan 0.000 0.432 63 E N 0.700 120.876 120.200 -0.040 0.000 2.031 63 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 63 E C 1.864 178.436 176.600 -0.047 0.000 0.994 63 E CA 1.355 57.734 56.400 -0.035 0.000 0.800 63 E CB 0.187 29.874 29.700 -0.022 0.000 0.752 63 E HN 0.441 nan 8.360 nan 0.000 0.447 64 K N -0.283 120.081 120.400 -0.059 0.000 2.361 64 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 64 K C 0.200 176.743 176.600 -0.096 0.000 1.032 64 K CA 0.100 56.349 56.287 -0.064 0.000 1.048 64 K CB 0.582 33.051 32.500 -0.051 0.000 0.842 64 K HN -0.094 nan 8.250 nan 0.000 0.526 65 E N 1.938 122.049 120.200 -0.149 0.000 2.141 65 E HA 0.119 4.469 4.350 -0.000 0.000 0.259 65 E C -2.045 174.442 176.600 -0.189 0.000 0.883 65 E CA -2.741 53.528 56.400 -0.218 0.000 0.744 65 E CB 1.258 30.699 29.700 -0.432 0.000 1.150 65 E HN -0.180 nan 8.360 nan 0.000 0.420 66 P HA -0.166 nan 4.420 nan 0.000 0.220 66 P C 0.411 177.670 177.300 -0.067 0.000 1.148 66 P CA 0.996 64.049 63.100 -0.078 0.000 0.803 66 P CB 0.378 32.049 31.700 -0.048 0.000 0.782 67 K N 0.442 120.798 120.400 -0.073 0.000 2.439 67 K HA -0.005 4.315 4.320 -0.000 0.000 0.197 67 K C 1.955 178.608 176.600 0.088 0.000 1.041 67 K CA 1.190 57.493 56.287 0.027 0.000 0.970 67 K CB -0.271 32.300 32.500 0.119 0.000 0.773 67 K HN 0.216 nan 8.250 nan 0.000 0.479 68 S N -0.294 115.346 115.700 -0.101 0.000 2.660 68 S HA 0.001 4.471 4.470 -0.000 0.000 0.223 68 S C 1.349 175.980 174.600 0.053 0.000 0.963 68 S CA 0.081 58.284 58.200 0.006 0.000 0.932 68 S CB 0.509 63.592 63.200 -0.196 0.000 0.775 68 S HN 0.076 nan 8.310 nan 0.000 0.531 69 V N 0.431 120.350 119.914 0.008 0.000 3.398 69 V HA 0.445 4.565 4.120 -0.000 0.000 0.298 69 V C -0.076 175.973 176.094 -0.075 0.000 1.496 69 V CA -0.037 62.247 62.300 -0.028 0.000 1.044 69 V CB 0.477 32.271 31.823 -0.049 0.000 0.880 69 V HN 0.465 nan 8.190 nan 0.000 0.443 70 M N -0.732 118.840 119.600 -0.048 0.000 2.849 70 M HA 0.487 4.967 4.480 -0.000 0.000 0.299 70 M C -0.693 175.585 176.300 -0.038 0.000 1.223 70 M CA -0.807 54.421 55.300 -0.121 0.000 0.856 70 M CB 0.729 33.300 32.600 -0.049 0.000 1.680 70 M HN -0.054 nan 8.290 nan 0.000 0.506 71 Y N 1.290 121.592 120.300 0.003 0.000 2.526 71 Y HA 0.170 4.719 4.550 -0.000 0.000 0.330 71 Y C 1.318 177.284 175.900 0.111 0.000 1.156 71 Y CA -0.265 57.859 58.100 0.040 0.000 1.419 71 Y CB -0.049 38.448 38.460 0.063 0.000 1.250 71 Y HN 0.569 nan 8.280 nan 0.000 0.540 72 T N 1.444 116.179 114.554 0.301 0.000 2.923 72 T HA 0.605 4.955 4.350 -0.000 0.000 0.281 72 T C -2.567 172.243 174.700 0.183 0.000 0.995 72 T CA -2.514 59.701 62.100 0.191 0.000 0.985 72 T CB 1.501 70.434 68.868 0.109 0.000 1.114 72 T HN 0.226 nan 8.240 nan 0.000 0.548 73 P HA 0.293 nan 4.420 nan 0.000 0.270 73 P C 0.690 178.027 177.300 0.063 0.000 1.223 73 P CA -0.237 62.910 63.100 0.078 0.000 0.785 73 P CB 0.153 31.881 31.700 0.047 0.000 0.923 74 A N 2.884 125.714 122.820 0.017 0.000 1.917 74 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 74 A C 1.576 179.172 177.584 0.020 0.000 1.182 74 A CA 2.239 54.273 52.037 -0.005 0.000 0.633 74 A CB -1.556 17.401 19.000 -0.071 0.000 0.819 74 A HN 0.826 nan 8.150 nan 0.000 0.448 75 N N -1.644 117.067 118.700 0.018 0.000 2.398 75 N HA 0.363 5.103 4.740 -0.000 0.000 0.188 75 N C 0.667 176.195 175.510 0.031 0.000 1.122 75 N CA 0.376 53.443 53.050 0.028 0.000 0.866 75 N CB 0.087 38.587 38.487 0.020 0.000 0.970 75 N HN 0.746 nan 8.380 nan 0.000 0.462 76 G N 1.506 110.323 108.800 0.028 0.000 2.619 76 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.686 76 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.686 76 G C -0.433 174.458 174.900 -0.015 0.000 1.256 76 G CA -0.510 44.595 45.100 0.008 0.000 0.826 76 G HN 0.436 nan 8.290 nan 0.000 0.619 77 I N -0.736 119.797 120.570 -0.063 0.000 2.618 77 I HA 0.378 4.548 4.170 -0.000 0.000 0.284 77 I C -0.998 175.083 176.117 -0.059 0.000 1.146 77 I CA -1.674 59.582 61.300 -0.073 0.000 1.425 77 I CB 0.866 38.755 38.000 -0.186 0.000 1.383 77 I HN 0.255 nan 8.210 nan 0.000 0.562 78 P HA -0.219 nan 4.420 nan 0.000 0.218 78 P C 1.000 178.281 177.300 -0.032 0.000 1.152 78 P CA 1.665 64.753 63.100 -0.020 0.000 0.857 78 P CB 0.164 31.863 31.700 -0.001 0.000 0.787 79 E N -1.080 119.099 120.200 -0.035 0.000 2.152 79 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 79 E C 1.997 178.557 176.600 -0.067 0.000 0.983 79 E CA 0.604 56.983 56.400 -0.036 0.000 0.818 79 E CB -0.998 28.697 29.700 -0.008 0.000 0.758 79 E HN 0.225 nan 8.360 nan 0.000 0.467 80 L N 0.208 121.370 121.223 -0.101 0.000 2.072 80 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 80 L C 2.118 178.919 176.870 -0.114 0.000 1.079 80 L CA 1.157 55.924 54.840 -0.122 0.000 0.752 80 L CB 0.032 42.002 42.059 -0.147 0.000 0.906 80 L HN 0.058 nan 8.230 nan 0.000 0.436 81 R N -0.234 120.212 120.500 -0.090 0.000 2.115 81 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 81 R C 2.043 178.291 176.300 -0.087 0.000 1.111 81 R CA 1.423 57.469 56.100 -0.089 0.000 0.976 81 R CB -0.112 30.156 30.300 -0.053 0.000 0.870 81 R HN 0.452 nan 8.270 nan 0.000 0.445 82 E N 0.046 120.207 120.200 -0.066 0.000 2.107 82 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 82 E C 1.771 178.338 176.600 -0.055 0.000 0.982 82 E CA 0.630 56.998 56.400 -0.052 0.000 0.809 82 E CB 0.161 29.839 29.700 -0.036 0.000 0.756 82 E HN 0.235 nan 8.360 nan 0.000 0.459 83 E N 0.734 120.895 120.200 -0.065 0.000 2.072 83 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 83 E C 2.243 178.809 176.600 -0.055 0.000 0.982 83 E CA 0.529 56.895 56.400 -0.056 0.000 0.803 83 E CB -0.085 29.571 29.700 -0.074 0.000 0.755 83 E HN 0.285 nan 8.360 nan 0.000 0.453 84 L N 0.504 121.651 121.223 -0.127 0.000 2.046 84 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 84 L C 2.506 179.304 176.870 -0.120 0.000 1.077 84 L CA 1.144 55.873 54.840 -0.185 0.000 0.747 84 L CB -0.514 41.301 42.059 -0.406 0.000 0.896 84 L HN 0.065 nan 8.230 nan 0.000 0.432 85 A N -0.101 122.650 122.820 -0.115 0.000 1.940 85 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 85 A C 2.477 180.025 177.584 -0.059 0.000 1.176 85 A CA 1.856 53.840 52.037 -0.088 0.000 0.631 85 A CB -0.567 18.392 19.000 -0.069 0.000 0.814 85 A HN 0.434 nan 8.150 nan 0.000 0.446 86 A N -1.260 121.541 122.820 -0.032 0.000 1.898 86 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 86 A C 2.049 179.635 177.584 0.005 0.000 1.183 86 A CA 1.273 53.297 52.037 -0.021 0.000 0.622 86 A CB -0.700 18.297 19.000 -0.006 0.000 0.824 86 A HN 0.757 nan 8.150 nan 0.000 0.444 87 F N 0.183 120.078 119.950 -0.093 0.000 2.171 87 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 87 F C 1.683 177.477 175.800 -0.010 0.000 1.090 87 F CA 1.490 59.460 58.000 -0.051 0.000 1.293 87 F CB -0.086 38.811 39.000 -0.172 0.000 1.013 87 F HN 0.144 nan 8.300 nan 0.000 0.486 88 L N 1.106 122.181 121.223 -0.246 0.000 2.044 88 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 88 L C 2.507 179.283 176.870 -0.158 0.000 1.075 88 L CA 1.590 56.289 54.840 -0.235 0.000 0.747 88 L CB -1.325 40.683 42.059 -0.084 0.000 0.903 88 L HN 0.133 nan 8.230 nan 0.000 0.435 89 K N 0.398 120.717 120.400 -0.134 0.000 2.211 89 K HA -0.234 4.086 4.320 -0.000 0.000 0.204 89 K C 2.094 178.572 176.600 -0.203 0.000 1.047 89 K CA 1.587 57.791 56.287 -0.137 0.000 0.935 89 K CB 0.070 32.501 32.500 -0.115 0.000 0.728 89 K HN 0.330 nan 8.250 nan 0.000 0.452 90 K N -1.049 119.193 120.400 -0.264 0.000 2.128 90 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 90 K C 1.313 177.621 176.600 -0.487 0.000 1.050 90 K CA 0.676 56.709 56.287 -0.423 0.000 0.966 90 K CB 0.079 32.235 32.500 -0.573 0.000 0.759 90 K HN 0.091 nan 8.250 nan 0.000 0.454 91 Y N -0.691 119.518 120.300 -0.152 0.000 2.449 91 Y HA 0.164 4.714 4.550 -0.000 0.000 0.254 91 Y C 0.570 176.557 175.900 0.145 0.000 1.140 91 Y CA -0.193 57.906 58.100 -0.001 0.000 1.272 91 Y CB 0.852 39.261 38.460 -0.086 0.000 1.114 91 Y HN 0.074 nan 8.280 nan 0.000 0.525 92 D N -1.580 118.914 120.400 0.156 0.000 2.582 92 D HA 0.077 4.717 4.640 -0.000 0.000 0.246 92 D C -0.268 176.124 176.300 0.154 0.000 1.334 92 D CA -0.016 54.084 54.000 0.166 0.000 0.805 92 D CB -0.300 40.588 40.800 0.147 0.000 1.087 92 D HN 0.196 nan 8.370 nan 0.000 0.499 93 H N -0.928 118.146 119.070 0.006 0.000 2.781 93 H HA -0.223 4.333 4.556 -0.000 0.000 0.301 93 H C -0.810 174.513 175.328 -0.009 0.000 1.124 93 H CA 0.638 56.681 56.048 -0.007 0.000 1.154 93 H CB -0.859 28.907 29.762 0.006 0.000 1.355 93 H HN 0.118 nan 8.280 nan 0.000 0.385 94 L N 1.245 122.491 121.223 0.039 0.000 2.313 94 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 94 L C -0.350 176.512 176.870 -0.015 0.000 1.013 94 L CA -0.691 54.168 54.840 0.032 0.000 0.816 94 L CB 1.702 43.790 42.059 0.049 0.000 1.236 94 L HN 0.232 nan 8.230 nan 0.000 0.419 95 E N 3.683 123.879 120.200 -0.007 0.000 2.092 95 E HA 0.594 4.944 4.350 -0.000 0.000 0.271 95 E C -1.645 174.949 176.600 -0.009 0.000 0.919 95 E CA -0.170 56.217 56.400 -0.023 0.000 0.760 95 E CB 1.300 30.986 29.700 -0.022 0.000 1.106 95 E HN 0.461 nan 8.360 nan 0.000 0.408 96 V N 3.476 123.379 119.914 -0.018 0.000 3.012 96 V HA 0.548 4.668 4.120 -0.000 0.000 0.307 96 V C -0.773 175.309 176.094 -0.021 0.000 1.166 96 V CA -0.611 61.682 62.300 -0.011 0.000 0.974 96 V CB 2.291 34.113 31.823 -0.003 0.000 1.040 96 V HN 0.679 nan 8.190 nan 0.000 0.428 97 S N 5.087 120.779 115.700 -0.012 0.000 2.580 97 S HA 0.464 4.934 4.470 -0.000 0.000 0.274 97 S C -1.738 172.849 174.600 -0.021 0.000 1.329 97 S CA -0.748 57.443 58.200 -0.015 0.000 1.036 97 S CB 1.508 64.704 63.200 -0.007 0.000 0.919 97 S HN 0.734 nan 8.310 nan 0.000 0.515 98 P HA -0.037 nan 4.420 nan 0.000 0.220 98 P C 0.840 178.129 177.300 -0.017 0.000 1.148 98 P CA 0.757 63.838 63.100 -0.032 0.000 0.803 98 P CB 0.135 31.815 31.700 -0.032 0.000 0.782 99 E N -1.069 119.126 120.200 -0.009 0.000 2.418 99 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 99 E C 1.013 177.618 176.600 0.008 0.000 1.026 99 E CA 0.632 57.032 56.400 -0.000 0.000 0.862 99 E CB -0.696 29.005 29.700 0.000 0.000 0.799 99 E HN 0.405 nan 8.360 nan 0.000 0.518 100 N N 0.583 119.289 118.700 0.010 0.000 2.230 100 N HA 0.075 4.815 4.740 -0.000 0.000 0.202 100 N C 0.262 175.796 175.510 0.040 0.000 1.119 100 N CA -0.058 53.006 53.050 0.024 0.000 0.851 100 N CB 0.943 39.444 38.487 0.023 0.000 0.990 100 N HN 0.184 nan 8.380 nan 0.000 0.497 101 I N -0.760 119.827 120.570 0.029 0.000 2.493 101 I HA 0.430 4.600 4.170 -0.000 0.000 0.298 101 I C -0.987 175.171 176.117 0.068 0.000 0.998 101 I CA -0.742 60.589 61.300 0.051 0.000 1.137 101 I CB 1.925 39.909 38.000 -0.026 0.000 1.310 101 I HN -0.349 nan 8.210 nan 0.000 0.445 102 V N 7.598 127.587 119.914 0.126 0.000 2.443 102 V HA 0.421 4.541 4.120 -0.000 0.000 0.293 102 V C -0.121 176.072 176.094 0.165 0.000 1.021 102 V CA -0.612 61.755 62.300 0.112 0.000 0.848 102 V CB 1.329 33.207 31.823 0.091 0.000 0.998 102 V HN 0.563 nan 8.190 nan 0.000 0.424 103 I N 4.939 125.588 120.570 0.132 0.000 2.452 103 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 103 I C 0.913 177.101 176.117 0.119 0.000 1.079 103 I CA 0.611 62.004 61.300 0.155 0.000 1.387 103 I CB 0.658 38.716 38.000 0.097 0.000 1.404 103 I HN 0.837 nan 8.210 nan 0.000 0.522 104 T N 4.042 118.667 114.554 0.119 0.000 2.905 104 T HA 0.558 4.908 4.350 -0.000 0.000 0.283 104 T C 0.291 175.025 174.700 0.057 0.000 1.031 104 T CA -0.869 61.275 62.100 0.073 0.000 1.002 104 T CB 1.939 70.838 68.868 0.051 0.000 1.200 104 T HN 0.201 nan 8.240 nan 0.000 0.560 105 I N 2.396 122.993 120.570 0.044 0.000 2.366 105 I HA 0.336 4.506 4.170 -0.000 0.000 0.302 105 I C 1.636 177.760 176.117 0.012 0.000 1.194 105 I CA 0.819 62.141 61.300 0.038 0.000 1.667 105 I CB -1.652 36.371 38.000 0.038 0.000 1.501 105 I HN 1.186 nan 8.210 nan 0.000 0.776 106 G N 4.116 112.914 108.800 -0.004 0.000 2.894 106 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.247 106 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.247 106 G C 0.909 175.749 174.900 -0.100 0.000 1.442 106 G CA -0.285 44.780 45.100 -0.058 0.000 0.897 106 G HN 0.669 nan 8.290 nan 0.000 0.550 107 G N -1.421 107.286 108.800 -0.154 0.000 2.432 107 G HA2 0.031 3.991 3.960 -0.000 0.000 0.219 107 G HA3 0.031 3.991 3.960 -0.000 0.000 0.219 107 G C 1.869 176.739 174.900 -0.050 0.000 1.135 107 G CA 2.377 47.386 45.100 -0.151 0.000 0.767 107 G HN 1.207 nan 8.290 nan 0.000 0.550 108 T N 1.137 115.681 114.554 -0.017 0.000 2.622 108 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 108 T C 2.531 177.227 174.700 -0.007 0.000 1.047 108 T CA 1.608 63.709 62.100 0.002 0.000 1.159 108 T CB -0.866 68.010 68.868 0.014 0.000 0.863 108 T HN 0.342 nan 8.240 nan 0.000 0.422 109 G N 1.170 109.969 108.800 -0.001 0.000 2.469 109 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.220 109 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.220 109 G C 1.833 176.744 174.900 0.019 0.000 1.136 109 G CA 1.113 46.221 45.100 0.012 0.000 0.759 109 G HN 0.610 nan 8.290 nan 0.000 0.562 110 A N 0.584 123.407 122.820 0.005 0.000 1.865 110 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 110 A C 2.359 179.973 177.584 0.049 0.000 1.191 110 A CA 1.543 53.591 52.037 0.018 0.000 0.623 110 A CB -0.476 18.508 19.000 -0.027 0.000 0.826 110 A HN 0.281 nan 8.150 nan 0.000 0.444 111 L N 0.586 121.836 121.223 0.045 0.000 2.079 111 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 111 L C 2.280 179.247 176.870 0.161 0.000 1.081 111 L CA 2.206 57.102 54.840 0.093 0.000 0.752 111 L CB -1.335 40.694 42.059 -0.049 0.000 0.896 111 L HN 0.597 nan 8.230 nan 0.000 0.433 112 D N -0.672 119.779 120.400 0.085 0.000 2.097 112 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 112 D C 2.214 178.560 176.300 0.076 0.000 0.984 112 D CA 0.779 54.832 54.000 0.090 0.000 0.826 112 D CB 0.395 41.220 40.800 0.043 0.000 0.973 112 D HN 0.114 nan 8.370 nan 0.000 0.460 113 L N 0.872 122.129 121.223 0.057 0.000 2.042 113 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 113 L C 2.490 179.384 176.870 0.039 0.000 1.076 113 L CA 0.940 55.804 54.840 0.041 0.000 0.749 113 L CB -1.050 41.031 42.059 0.038 0.000 0.893 113 L HN 0.187 nan 8.230 nan 0.000 0.432 114 L N -0.727 120.531 121.223 0.059 0.000 2.056 114 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 114 L C 2.491 179.352 176.870 -0.014 0.000 1.078 114 L CA 1.949 56.814 54.840 0.042 0.000 0.749 114 L CB -1.803 40.307 42.059 0.084 0.000 0.901 114 L HN 0.311 nan 8.230 nan 0.000 0.433 115 G N -0.817 107.990 108.800 0.011 0.000 2.446 115 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 115 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 115 G C 1.763 176.614 174.900 -0.082 0.000 1.168 115 G CA 0.563 45.585 45.100 -0.130 0.000 0.771 115 G HN 0.332 nan 8.290 nan 0.000 0.551 116 R N -0.398 120.095 120.500 -0.011 0.000 2.127 116 R HA -0.010 4.330 4.340 -0.000 0.000 0.238 116 R C 2.332 178.619 176.300 -0.020 0.000 1.134 116 R CA 1.023 57.120 56.100 -0.006 0.000 0.975 116 R CB -0.323 29.985 30.300 0.013 0.000 0.865 116 R HN 0.339 nan 8.270 nan 0.000 0.447 117 V N 0.466 120.365 119.914 -0.025 0.000 3.354 117 V HA 0.005 4.125 4.120 -0.000 0.000 0.258 117 V C 1.608 177.677 176.094 -0.041 0.000 1.159 117 V CA 1.015 63.300 62.300 -0.025 0.000 1.125 117 V CB 0.137 31.953 31.823 -0.012 0.000 0.774 117 V HN 0.251 nan 8.190 nan 0.000 0.464 118 L N -0.925 120.255 121.223 -0.072 0.000 2.731 118 L HA 0.405 4.745 4.340 -0.000 0.000 0.240 118 L C 0.268 177.062 176.870 -0.126 0.000 1.120 118 L CA 0.325 55.110 54.840 -0.092 0.000 0.913 118 L CB 0.583 42.579 42.059 -0.105 0.000 1.213 118 L HN 0.127 nan 8.230 nan 0.000 0.515 119 I N 0.029 120.515 120.570 -0.140 0.000 2.378 119 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 119 I C -0.809 175.254 176.117 -0.091 0.000 0.992 119 I CA -0.454 60.754 61.300 -0.154 0.000 1.154 119 I CB 1.878 39.740 38.000 -0.231 0.000 1.315 119 I HN -0.090 nan 8.210 nan 0.000 0.448 120 D N 7.405 127.757 120.400 -0.080 0.000 2.185 120 D HA 0.345 4.985 4.640 -0.000 0.000 0.247 120 D C -2.450 173.814 176.300 -0.060 0.000 1.027 120 D CA -1.325 52.649 54.000 -0.043 0.000 0.861 120 D CB 2.129 42.911 40.800 -0.031 0.000 1.202 120 D HN 0.098 nan 8.370 nan 0.000 0.453 121 P HA 0.072 nan 4.420 nan 0.000 0.262 121 P C 0.795 178.034 177.300 -0.102 0.000 1.182 121 P CA 0.846 63.898 63.100 -0.081 0.000 0.761 121 P CB 0.548 32.319 31.700 0.119 0.000 0.795 122 G N 2.186 110.872 108.800 -0.190 0.000 2.232 122 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.226 122 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.226 122 G C 0.019 174.847 174.900 -0.120 0.000 0.996 122 G CA -0.357 44.660 45.100 -0.138 0.000 0.626 122 G HN 0.498 nan 8.290 nan 0.000 0.509 123 D N 0.751 121.079 120.400 -0.121 0.000 2.472 123 D HA 0.403 5.043 4.640 -0.000 0.000 0.237 123 D C 0.684 176.917 176.300 -0.112 0.000 1.141 123 D CA 0.205 54.141 54.000 -0.107 0.000 0.875 123 D CB 1.576 42.306 40.800 -0.118 0.000 1.192 123 D HN 0.204 nan 8.370 nan 0.000 0.450 124 V N 2.603 122.465 119.914 -0.086 0.000 2.509 124 V HA 0.311 4.431 4.120 -0.000 0.000 0.284 124 V C 0.163 176.218 176.094 -0.066 0.000 1.047 124 V CA -0.572 61.686 62.300 -0.071 0.000 0.952 124 V CB 1.774 33.564 31.823 -0.054 0.000 0.988 124 V HN 0.341 nan 8.190 nan 0.000 0.469 125 V N 6.801 126.688 119.914 -0.046 0.000 2.540 125 V HA 0.621 4.741 4.120 -0.000 0.000 0.302 125 V C -0.471 175.649 176.094 0.043 0.000 1.035 125 V CA -0.500 61.790 62.300 -0.017 0.000 0.873 125 V CB 1.677 33.472 31.823 -0.047 0.000 0.992 125 V HN 0.721 nan 8.190 nan 0.000 0.428 126 I N 6.646 127.249 120.570 0.054 0.000 2.365 126 I HA 0.587 4.757 4.170 -0.000 0.000 0.291 126 I C 0.636 176.829 176.117 0.127 0.000 1.004 126 I CA 0.171 61.510 61.300 0.065 0.000 1.311 126 I CB 1.801 39.820 38.000 0.031 0.000 1.401 126 I HN 0.940 nan 8.210 nan 0.000 0.491 127 T N 1.141 115.768 114.554 0.122 0.000 2.838 127 T HA 0.495 4.845 4.350 -0.000 0.000 0.292 127 T C -0.435 174.312 174.700 0.078 0.000 1.113 127 T CA -1.048 61.149 62.100 0.161 0.000 1.008 127 T CB 1.462 70.469 68.868 0.231 0.000 1.259 127 T HN 0.464 nan 8.240 nan 0.000 0.520 128 E N 0.678 120.909 120.200 0.052 0.000 2.392 128 E HA 0.404 4.754 4.350 -0.000 0.000 0.256 128 E C -0.488 176.113 176.600 0.002 0.000 1.145 128 E CA -0.485 55.919 56.400 0.007 0.000 0.929 128 E CB 0.417 30.102 29.700 -0.025 0.000 0.998 128 E HN 0.584 nan 8.360 nan 0.000 0.442 129 N N 1.744 120.427 118.700 -0.029 0.000 2.504 129 N HA 0.267 5.007 4.740 -0.000 0.000 0.280 129 N C -2.786 172.621 175.510 -0.171 0.000 1.052 129 N CA -2.045 50.961 53.050 -0.074 0.000 0.887 129 N CB 1.343 39.839 38.487 0.014 0.000 1.323 129 N HN 0.128 nan 8.380 nan 0.000 0.509 130 P HA 0.313 nan 4.420 nan 0.000 0.289 130 P C -0.678 176.533 177.300 -0.148 0.000 1.299 130 P CA -0.338 62.471 63.100 -0.486 0.000 0.766 130 P CB 1.329 32.428 31.700 -1.001 0.000 1.226 131 S N -2.369 113.326 115.700 -0.008 0.000 2.752 131 S HA 0.294 4.764 4.470 -0.000 0.000 0.284 131 S C -1.563 173.200 174.600 0.271 0.000 1.189 131 S CA -0.749 57.525 58.200 0.123 0.000 0.835 131 S CB 0.268 63.563 63.200 0.159 0.000 1.192 131 S HN 0.407 nan 8.310 nan 0.000 0.506 132 Y N 3.011 123.405 120.300 0.157 0.000 2.650 132 Y HA 0.140 4.690 4.550 -0.000 0.000 0.342 132 Y C 1.525 177.383 175.900 -0.070 0.000 1.110 132 Y CA -0.433 57.744 58.100 0.129 0.000 1.438 132 Y CB 0.084 38.638 38.460 0.156 0.000 1.181 132 Y HN 0.624 nan 8.280 nan 0.000 0.526 133 I N 2.333 122.652 120.570 -0.419 0.000 2.181 133 I HA -0.402 3.768 4.170 -0.000 0.000 0.247 133 I C 1.648 177.347 176.117 -0.697 0.000 1.081 133 I CA 1.706 62.606 61.300 -0.665 0.000 1.340 133 I CB -0.917 36.534 38.000 -0.916 0.000 1.036 133 I HN 0.529 nan 8.210 nan 0.000 0.417 134 N N 0.275 118.321 118.700 -1.090 0.000 2.289 134 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 134 N C 1.743 176.829 175.510 -0.705 0.000 1.016 134 N CA 1.756 54.287 53.050 -0.865 0.000 0.872 134 N CB -0.454 37.478 38.487 -0.925 0.000 0.973 134 N HN 0.551 nan 8.380 nan 0.000 0.433 135 T N 0.434 114.508 114.554 -0.799 0.000 2.896 135 T HA 0.094 4.444 4.350 -0.000 0.000 0.263 135 T C 1.941 176.143 174.700 -0.830 0.000 1.050 135 T CA 0.408 61.979 62.100 -0.883 0.000 1.140 135 T CB -0.096 68.180 68.868 -0.985 0.000 0.877 135 T HN 0.116 nan 8.240 nan 0.000 0.457 136 L N 0.427 121.337 121.223 -0.522 0.000 2.017 136 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 136 L C 2.427 179.149 176.870 -0.246 0.000 1.073 136 L CA 0.839 55.496 54.840 -0.305 0.000 0.745 136 L CB -0.645 41.293 42.059 -0.203 0.000 0.894 136 L HN 0.208 nan 8.230 nan 0.000 0.432 137 L N 0.127 121.179 121.223 -0.286 0.000 2.017 137 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 137 L C 2.824 179.603 176.870 -0.152 0.000 1.073 137 L CA 2.101 56.822 54.840 -0.199 0.000 0.745 137 L CB -1.376 40.549 42.059 -0.225 0.000 0.894 137 L HN 0.178 nan 8.230 nan 0.000 0.432 138 A N -1.013 121.668 122.820 -0.231 0.000 1.883 138 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 138 A C 2.138 179.760 177.584 0.062 0.000 1.186 138 A CA 1.769 53.729 52.037 -0.130 0.000 0.624 138 A CB -0.820 18.038 19.000 -0.236 0.000 0.822 138 A HN 0.343 nan 8.150 nan 0.000 0.444 139 F N 0.137 119.990 119.950 -0.162 0.000 2.206 139 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 139 F C 2.391 178.102 175.800 -0.148 0.000 1.090 139 F CA 1.024 58.933 58.000 -0.151 0.000 1.323 139 F CB -1.131 37.763 39.000 -0.177 0.000 1.028 139 F HN 0.376 nan 8.300 nan 0.000 0.492 140 E N 0.116 120.339 120.200 0.038 0.000 2.106 140 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 140 E C 2.021 178.583 176.600 -0.062 0.000 0.984 140 E CA 1.127 57.483 56.400 -0.073 0.000 0.806 140 E CB -0.320 29.333 29.700 -0.079 0.000 0.750 140 E HN 0.576 nan 8.360 nan 0.000 0.458 141 Q N 0.368 120.196 119.800 0.047 0.000 2.488 141 Q HA -0.054 4.286 4.340 -0.000 0.000 0.211 141 Q C 1.671 177.815 176.000 0.240 0.000 0.967 141 Q CA 0.670 56.579 55.803 0.177 0.000 0.926 141 Q CB -0.041 28.776 28.738 0.132 0.000 0.992 141 Q HN 0.309 nan 8.270 nan 0.000 0.506 142 L N -0.128 121.159 121.223 0.107 0.000 2.607 142 L HA 0.282 4.622 4.340 -0.000 0.000 0.228 142 L C 0.973 177.815 176.870 -0.046 0.000 1.123 142 L CA 0.448 55.347 54.840 0.100 0.000 0.890 142 L CB 0.268 42.351 42.059 0.040 0.000 1.103 142 L HN 0.553 nan 8.230 nan 0.000 0.468 143 G N 0.024 108.605 108.800 -0.366 0.000 2.159 143 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.227 143 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.227 143 G C 0.332 174.868 174.900 -0.606 0.000 0.986 143 G CA -0.061 44.423 45.100 -1.026 0.000 0.651 143 G HN 0.431 nan 8.290 nan 0.000 0.523 144 A N -0.055 122.558 122.820 -0.345 0.000 2.351 144 A HA 0.673 4.993 4.320 -0.000 0.000 0.257 144 A C 0.542 177.999 177.584 -0.211 0.000 1.087 144 A CA 0.010 51.905 52.037 -0.237 0.000 0.798 144 A CB 0.755 19.655 19.000 -0.166 0.000 1.033 144 A HN 0.245 nan 8.150 nan 0.000 0.488 145 K N 1.955 122.261 120.400 -0.156 0.000 2.235 145 K HA 0.385 4.705 4.320 -0.000 0.000 0.266 145 K C -0.996 175.567 176.600 -0.061 0.000 0.980 145 K CA -0.458 55.760 56.287 -0.115 0.000 0.849 145 K CB 0.689 33.127 32.500 -0.103 0.000 1.098 145 K HN 0.563 nan 8.250 nan 0.000 0.445 146 I N 3.603 124.152 120.570 -0.036 0.000 2.365 146 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 146 I C 0.271 176.391 176.117 0.005 0.000 1.004 146 I CA -0.302 61.000 61.300 0.003 0.000 1.311 146 I CB 1.284 39.293 38.000 0.014 0.000 1.401 146 I HN 0.389 nan 8.210 nan 0.000 0.491 147 E N 4.793 125.002 120.200 0.016 0.000 2.185 147 E HA 0.468 4.818 4.350 -0.000 0.000 0.261 147 E C -0.022 176.594 176.600 0.028 0.000 0.879 147 E CA -0.380 56.027 56.400 0.013 0.000 0.756 147 E CB 2.331 32.029 29.700 -0.004 0.000 1.152 147 E HN 0.774 nan 8.360 nan 0.000 0.416 148 G N 1.014 109.833 108.800 0.032 0.000 2.425 148 G HA2 0.489 4.449 3.960 -0.000 0.000 0.302 148 G HA3 0.489 4.449 3.960 -0.000 0.000 0.302 148 G C -0.594 174.323 174.900 0.028 0.000 1.159 148 G CA -0.362 44.760 45.100 0.037 0.000 0.865 148 G HN 0.245 nan 8.290 nan 0.000 0.515 149 V N 3.277 123.205 119.914 0.023 0.000 2.444 149 V HA 0.306 4.426 4.120 -0.000 0.000 0.294 149 V C -2.066 174.036 176.094 0.014 0.000 1.022 149 V CA -1.482 60.828 62.300 0.016 0.000 0.850 149 V CB 2.138 33.967 31.823 0.010 0.000 0.992 149 V HN 0.597 nan 8.190 nan 0.000 0.426 150 P HA 0.070 nan 4.420 nan 0.000 0.267 150 P C -0.631 176.673 177.300 0.007 0.000 1.195 150 P CA 0.393 63.506 63.100 0.021 0.000 0.773 150 P CB 0.439 32.153 31.700 0.022 0.000 0.837 151 V N -1.094 118.824 119.914 0.007 0.000 3.001 151 V HA 0.836 4.956 4.120 -0.000 0.000 0.314 151 V C -0.700 175.396 176.094 0.004 0.000 1.099 151 V CA -0.789 61.511 62.300 -0.001 0.000 0.989 151 V CB 2.285 34.101 31.823 -0.011 0.000 1.040 151 V HN 0.620 nan 8.190 nan 0.000 0.434 152 D N 0.753 121.152 120.400 -0.002 0.000 2.898 152 D HA 0.390 5.030 4.640 -0.000 0.000 0.266 152 D C 0.458 176.759 176.300 0.001 0.000 1.173 152 D CA -0.550 53.447 54.000 -0.007 0.000 1.078 152 D CB 0.175 40.964 40.800 -0.018 0.000 1.326 152 D HN 0.274 nan 8.370 nan 0.000 0.622 153 N N -0.478 118.219 118.700 -0.004 0.000 2.520 153 N HA -0.051 4.689 4.740 -0.000 0.000 0.185 153 N C -0.265 175.247 175.510 0.003 0.000 1.068 153 N CA 0.724 53.777 53.050 0.005 0.000 0.911 153 N CB -0.095 38.392 38.487 0.000 0.000 0.961 153 N HN 0.363 nan 8.380 nan 0.000 0.446 154 D N -0.188 120.210 120.400 -0.003 0.000 2.501 154 D HA 0.254 4.894 4.640 -0.000 0.000 0.226 154 D C 1.244 177.539 176.300 -0.009 0.000 1.198 154 D CA 0.069 54.066 54.000 -0.005 0.000 0.830 154 D CB 0.601 41.397 40.800 -0.007 0.000 1.014 154 D HN 0.204 nan 8.370 nan 0.000 0.496 155 G N 1.425 110.220 108.800 -0.009 0.000 2.527 155 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.227 155 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.227 155 G C 0.086 174.978 174.900 -0.014 0.000 1.291 155 G CA -0.296 44.795 45.100 -0.015 0.000 0.904 155 G HN 0.250 nan 8.290 nan 0.000 0.577 156 M N 1.095 120.684 119.600 -0.018 0.000 2.284 156 M HA 0.193 4.673 4.480 -0.000 0.000 0.351 156 M C 0.810 177.107 176.300 -0.006 0.000 1.443 156 M CA -0.072 55.220 55.300 -0.013 0.000 1.031 156 M CB 0.178 32.769 32.600 -0.015 0.000 1.893 156 M HN 0.457 nan 8.290 nan 0.000 0.456 157 R N 4.900 125.399 120.500 -0.003 0.000 2.605 157 R HA 0.058 4.398 4.340 -0.000 0.000 0.271 157 R C 0.921 177.223 176.300 0.004 0.000 1.418 157 R CA -0.032 56.068 56.100 -0.001 0.000 1.102 157 R CB -0.726 29.574 30.300 -0.001 0.000 1.131 157 R HN 0.755 nan 8.270 nan 0.000 0.554 158 V N 2.247 122.164 119.914 0.005 0.000 2.317 158 V HA -0.356 3.764 4.120 -0.000 0.000 0.251 158 V C 2.202 178.308 176.094 0.020 0.000 1.065 158 V CA 2.458 64.766 62.300 0.013 0.000 1.049 158 V CB -0.375 31.456 31.823 0.014 0.000 0.651 158 V HN 0.663 nan 8.190 nan 0.000 0.450 159 D N 0.306 120.716 120.400 0.016 0.000 2.123 159 D HA -0.227 4.413 4.640 -0.000 0.000 0.196 159 D C 1.972 178.281 176.300 0.016 0.000 0.992 159 D CA 1.573 55.585 54.000 0.019 0.000 0.833 159 D CB -0.562 40.246 40.800 0.013 0.000 0.954 159 D HN 0.466 nan 8.370 nan 0.000 0.455 160 L N 0.162 121.390 121.223 0.009 0.000 2.291 160 L HA -0.009 4.331 4.340 -0.000 0.000 0.214 160 L C 2.681 179.551 176.870 0.000 0.000 1.120 160 L CA 0.134 54.976 54.840 0.004 0.000 0.799 160 L CB -0.314 41.746 42.059 0.003 0.000 0.925 160 L HN 0.105 nan 8.230 nan 0.000 0.446 161 L N 0.471 121.697 121.223 0.006 0.000 2.017 161 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 161 L C 2.364 179.227 176.870 -0.013 0.000 1.073 161 L CA 1.998 56.839 54.840 0.001 0.000 0.745 161 L CB -0.293 41.774 42.059 0.014 0.000 0.894 161 L HN 0.401 nan 8.230 nan 0.000 0.432 162 E N -0.309 119.900 120.200 0.016 0.000 2.153 162 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 162 E C 1.932 178.513 176.600 -0.032 0.000 0.988 162 E CA 1.242 57.655 56.400 0.021 0.000 0.811 162 E CB 0.125 29.898 29.700 0.121 0.000 0.746 162 E HN 0.420 nan 8.360 nan 0.000 0.466 163 E N 0.885 121.077 120.200 -0.012 0.000 2.077 163 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 163 E C 1.824 178.397 176.600 -0.045 0.000 0.989 163 E CA 1.509 57.898 56.400 -0.019 0.000 0.800 163 E CB -0.083 29.613 29.700 -0.007 0.000 0.746 163 E HN 0.018 nan 8.360 nan 0.000 0.452 164 K N 0.423 120.794 120.400 -0.048 0.000 2.057 164 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 164 K C 1.935 178.476 176.600 -0.098 0.000 1.049 164 K CA 1.461 57.715 56.287 -0.055 0.000 0.931 164 K CB -0.497 31.980 32.500 -0.038 0.000 0.714 164 K HN 0.233 nan 8.250 nan 0.000 0.440 165 I N 0.559 121.034 120.570 -0.158 0.000 2.286 165 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 165 I C 2.137 178.089 176.117 -0.276 0.000 1.115 165 I CA 1.387 62.521 61.300 -0.277 0.000 1.392 165 I CB -0.195 37.494 38.000 -0.519 0.000 1.065 165 I HN 0.174 nan 8.210 nan 0.000 0.418 166 K N 0.319 120.591 120.400 -0.214 0.000 2.097 166 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 166 K C 2.059 178.614 176.600 -0.075 0.000 1.050 166 K CA 1.213 57.425 56.287 -0.124 0.000 0.938 166 K CB -0.041 32.428 32.500 -0.050 0.000 0.718 166 K HN 0.138 nan 8.250 nan 0.000 0.442 167 E N 0.653 120.813 120.200 -0.066 0.000 2.047 167 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 167 E C 1.744 178.315 176.600 -0.048 0.000 0.987 167 E CA 0.769 57.143 56.400 -0.044 0.000 0.799 167 E CB 0.014 29.693 29.700 -0.036 0.000 0.752 167 E HN -0.001 nan 8.360 nan 0.000 0.449 168 L N 1.130 122.314 121.223 -0.064 0.000 1.989 168 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 168 L C 1.937 178.773 176.870 -0.058 0.000 1.071 168 L CA 1.867 56.671 54.840 -0.061 0.000 0.749 168 L CB -0.601 41.413 42.059 -0.075 0.000 0.890 168 L HN 0.071 nan 8.230 nan 0.000 0.431 169 K N -1.101 119.254 120.400 -0.076 0.000 2.147 169 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 169 K C 2.030 178.612 176.600 -0.030 0.000 1.049 169 K CA 1.158 57.412 56.287 -0.054 0.000 0.936 169 K CB -0.264 32.195 32.500 -0.067 0.000 0.722 169 K HN 0.325 nan 8.250 nan 0.000 0.446 170 A N 1.942 124.744 122.820 -0.030 0.000 1.972 170 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 170 A C 1.688 179.263 177.584 -0.015 0.000 1.169 170 A CA 1.429 53.456 52.037 -0.016 0.000 0.635 170 A CB -0.204 18.787 19.000 -0.015 0.000 0.810 170 A HN 0.204 nan 8.150 nan 0.000 0.446 171 K N -1.495 118.893 120.400 -0.020 0.000 2.487 171 K HA 0.207 4.527 4.320 -0.000 0.000 0.192 171 K C 0.994 177.585 176.600 -0.016 0.000 1.027 171 K CA 0.462 56.739 56.287 -0.017 0.000 1.054 171 K CB -0.035 32.453 32.500 -0.019 0.000 0.824 171 K HN 0.660 nan 8.250 nan 0.000 0.510 172 G N 1.740 110.529 108.800 -0.017 0.000 2.136 172 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.242 172 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.242 172 G C -0.194 174.694 174.900 -0.020 0.000 0.989 172 G CA -0.152 44.939 45.100 -0.015 0.000 0.682 172 G HN 0.193 nan 8.290 nan 0.000 0.522 173 Q N 0.098 119.881 119.800 -0.028 0.000 2.314 173 Q HA 0.305 4.645 4.340 -0.000 0.000 0.258 173 Q C 0.422 176.400 176.000 -0.036 0.000 0.954 173 Q CA -0.015 55.768 55.803 -0.033 0.000 0.890 173 Q CB 1.414 30.129 28.738 -0.038 0.000 1.210 173 Q HN 0.531 nan 8.270 nan 0.000 0.410 174 K N 1.704 122.083 120.400 -0.035 0.000 2.227 174 K HA 0.432 4.752 4.320 -0.000 0.000 0.280 174 K C -1.118 175.456 176.600 -0.043 0.000 1.041 174 K CA -0.358 55.908 56.287 -0.034 0.000 0.905 174 K CB 0.966 33.447 32.500 -0.031 0.000 1.068 174 K HN 0.388 nan 8.250 nan 0.000 0.470 175 V N 4.689 124.579 119.914 -0.041 0.000 2.971 175 V HA 0.405 4.525 4.120 -0.000 0.000 0.309 175 V C -0.569 175.507 176.094 -0.031 0.000 1.130 175 V CA -0.387 61.887 62.300 -0.044 0.000 0.964 175 V CB 1.942 33.734 31.823 -0.051 0.000 1.029 175 V HN 1.033 nan 8.190 nan 0.000 0.427 176 K N 4.652 125.033 120.400 -0.032 0.000 2.620 176 K HA 0.444 4.764 4.320 -0.000 0.000 0.208 176 K C -0.622 175.972 176.600 -0.009 0.000 1.582 176 K CA -0.282 55.995 56.287 -0.016 0.000 1.083 176 K CB 0.496 32.980 32.500 -0.026 0.000 1.420 176 K HN 0.481 nan 8.250 nan 0.000 0.582 177 L N 2.414 123.624 121.223 -0.022 0.000 2.346 177 L HA 0.589 4.929 4.340 -0.000 0.000 0.274 177 L C -0.657 176.239 176.870 0.043 0.000 1.007 177 L CA -1.196 53.645 54.840 0.001 0.000 0.818 177 L CB 2.092 44.123 42.059 -0.047 0.000 1.284 177 L HN 0.044 nan 8.230 nan 0.000 0.424 178 I N 2.204 122.824 120.570 0.083 0.000 2.418 178 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 178 I C -1.226 175.006 176.117 0.192 0.000 1.008 178 I CA -0.634 60.733 61.300 0.112 0.000 1.104 178 I CB 1.866 39.908 38.000 0.070 0.000 1.264 178 I HN 0.504 nan 8.210 nan 0.000 0.438 179 Y N 6.355 126.719 120.300 0.108 0.000 2.331 179 Y HA 0.556 5.106 4.550 -0.000 0.000 0.338 179 Y C -0.258 175.695 175.900 0.088 0.000 0.976 179 Y CA -0.157 58.027 58.100 0.139 0.000 1.137 179 Y CB 1.491 40.103 38.460 0.252 0.000 1.172 179 Y HN 0.536 nan 8.280 nan 0.000 0.478 180 T N 7.024 121.315 114.554 -0.438 0.000 2.900 180 T HA 0.554 4.904 4.350 -0.000 0.000 0.295 180 T C -1.076 173.336 174.700 -0.481 0.000 1.044 180 T CA -0.680 61.175 62.100 -0.407 0.000 0.995 180 T CB 0.725 69.500 68.868 -0.154 0.000 1.072 180 T HN 0.635 nan 8.240 nan 0.000 0.473 181 I N 6.412 126.773 120.570 -0.348 0.000 2.557 181 I HA 0.294 4.464 4.170 -0.000 0.000 0.277 181 I C -1.871 174.181 176.117 -0.107 0.000 1.106 181 I CA -2.237 58.943 61.300 -0.201 0.000 1.180 181 I CB 1.697 39.618 38.000 -0.131 0.000 1.392 181 I HN 0.463 nan 8.210 nan 0.000 0.506 182 P HA -0.108 nan 4.420 nan 0.000 0.215 182 P C 0.345 177.619 177.300 -0.042 0.000 1.157 182 P CA 1.410 64.475 63.100 -0.058 0.000 0.874 182 P CB 0.136 31.807 31.700 -0.050 0.000 0.790 183 T N -0.794 113.741 114.554 -0.033 0.000 2.794 183 T HA 0.482 4.832 4.350 -0.000 0.000 0.280 183 T C 0.525 175.216 174.700 -0.015 0.000 0.987 183 T CA -0.068 62.016 62.100 -0.027 0.000 0.993 183 T CB 1.004 69.852 68.868 -0.034 0.000 0.939 183 T HN 0.265 nan 8.240 nan 0.000 0.449 184 G N 3.364 112.129 108.800 -0.057 0.000 2.369 184 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.286 184 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.286 184 G C 0.115 174.890 174.900 -0.208 0.000 0.938 184 G CA 0.219 45.243 45.100 -0.127 0.000 1.271 184 G HN 0.842 nan 8.290 nan 0.000 0.488 185 Q N -0.510 119.218 119.800 -0.120 0.000 2.386 185 Q HA 0.122 4.462 4.340 -0.000 0.000 0.282 185 Q C 0.305 176.202 176.000 -0.170 0.000 1.050 185 Q CA -0.060 55.676 55.803 -0.111 0.000 0.918 185 Q CB 0.376 29.072 28.738 -0.069 0.000 1.266 185 Q HN 0.488 nan 8.270 nan 0.000 0.423 186 N N 3.587 122.201 118.700 -0.144 0.000 2.392 186 N HA 0.292 5.032 4.740 -0.000 0.000 0.283 186 N C -2.267 173.185 175.510 -0.097 0.000 1.003 186 N CA -2.171 50.750 53.050 -0.215 0.000 0.892 186 N CB 1.587 39.971 38.487 -0.172 0.000 1.193 186 N HN 0.308 nan 8.380 nan 0.000 0.487 187 P HA 0.026 nan 4.420 nan 0.000 0.245 187 P C 1.199 178.310 177.300 -0.315 0.000 1.199 187 P CA 0.326 63.088 63.100 -0.562 0.000 0.807 187 P CB 0.433 31.524 31.700 -1.015 0.000 1.002 188 M N -0.303 119.193 119.600 -0.174 0.000 2.159 188 M HA 0.021 4.501 4.480 -0.000 0.000 0.263 188 M C 1.858 178.161 176.300 0.006 0.000 1.063 188 M CA 1.967 57.233 55.300 -0.057 0.000 1.110 188 M CB -1.930 30.658 32.600 -0.019 0.000 1.374 188 M HN 0.223 nan 8.290 nan 0.000 0.411 189 G N 0.290 109.080 108.800 -0.016 0.000 2.179 189 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 189 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 189 G C 0.337 175.246 174.900 0.015 0.000 0.977 189 G CA 0.444 45.556 45.100 0.020 0.000 0.641 189 G HN 0.561 nan 8.290 nan 0.000 0.533 190 V N -0.887 119.033 119.914 0.009 0.000 3.083 190 V HA 0.907 5.027 4.120 -0.000 0.000 0.306 190 V C 0.464 176.549 176.094 -0.016 0.000 1.077 190 V CA 0.400 62.706 62.300 0.009 0.000 1.073 190 V CB 1.598 33.430 31.823 0.016 0.000 1.081 190 V HN 1.406 nan 8.190 nan 0.000 0.474 191 T N 1.706 116.252 114.554 -0.013 0.000 2.881 191 T HA 0.520 4.870 4.350 -0.000 0.000 0.290 191 T C -0.438 174.250 174.700 -0.019 0.000 1.000 191 T CA -0.650 61.436 62.100 -0.023 0.000 0.978 191 T CB 1.414 70.266 68.868 -0.026 0.000 0.997 191 T HN 1.061 nan 8.240 nan 0.000 0.443 192 M N 4.108 123.694 119.600 -0.024 0.000 2.250 192 M HA 0.233 4.713 4.480 -0.000 0.000 0.337 192 M C 0.669 176.959 176.300 -0.017 0.000 1.161 192 M CA -0.004 55.283 55.300 -0.021 0.000 1.088 192 M CB 0.461 33.046 32.600 -0.026 0.000 1.639 192 M HN 0.995 nan 8.290 nan 0.000 0.447 193 S N 5.032 120.724 115.700 -0.014 0.000 2.617 193 S HA 0.223 4.693 4.470 -0.000 0.000 0.269 193 S C 0.994 175.585 174.600 -0.015 0.000 1.292 193 S CA -0.979 57.214 58.200 -0.012 0.000 1.010 193 S CB 1.135 64.329 63.200 -0.009 0.000 0.944 193 S HN 0.832 nan 8.310 nan 0.000 0.536 194 M N 0.800 120.390 119.600 -0.016 0.000 2.279 194 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 194 M C 2.093 178.384 176.300 -0.015 0.000 1.062 194 M CA 1.452 56.740 55.300 -0.020 0.000 1.099 194 M CB -1.643 30.942 32.600 -0.026 0.000 1.394 194 M HN 1.012 nan 8.290 nan 0.000 0.426 195 E N 0.603 120.796 120.200 -0.012 0.000 2.031 195 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 195 E C 2.109 178.706 176.600 -0.006 0.000 0.994 195 E CA 1.216 57.611 56.400 -0.009 0.000 0.800 195 E CB 0.112 29.808 29.700 -0.007 0.000 0.752 195 E HN 0.437 nan 8.360 nan 0.000 0.447 196 R N -0.079 120.418 120.500 -0.006 0.000 2.115 196 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 196 R C 2.490 178.788 176.300 -0.004 0.000 1.111 196 R CA 1.124 57.222 56.100 -0.004 0.000 0.976 196 R CB -0.141 30.156 30.300 -0.005 0.000 0.870 196 R HN 0.119 nan 8.270 nan 0.000 0.445 197 R N 0.426 120.921 120.500 -0.008 0.000 2.115 197 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 197 R C 1.975 178.273 176.300 -0.004 0.000 1.111 197 R CA 0.882 56.977 56.100 -0.008 0.000 0.976 197 R CB 0.047 30.339 30.300 -0.014 0.000 0.870 197 R HN -0.031 nan 8.270 nan 0.000 0.445 198 K N 0.260 120.657 120.400 -0.005 0.000 2.116 198 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 198 K C 1.962 178.563 176.600 0.002 0.000 1.052 198 K CA 1.206 57.491 56.287 -0.003 0.000 0.952 198 K CB -0.172 32.324 32.500 -0.006 0.000 0.729 198 K HN 0.142 nan 8.250 nan 0.000 0.446 199 A N 1.406 124.228 122.820 0.004 0.000 1.898 199 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 199 A C 2.176 179.771 177.584 0.018 0.000 1.181 199 A CA 1.019 53.062 52.037 0.009 0.000 0.620 199 A CB -0.519 18.487 19.000 0.011 0.000 0.819 199 A HN 0.208 nan 8.150 nan 0.000 0.442 200 L N -0.023 121.211 121.223 0.017 0.000 2.012 200 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 200 L C 2.236 179.124 176.870 0.030 0.000 1.073 200 L CA 1.838 56.694 54.840 0.026 0.000 0.748 200 L CB -0.608 41.461 42.059 0.015 0.000 0.891 200 L HN 0.394 nan 8.230 nan 0.000 0.431 201 L N -0.727 120.507 121.223 0.019 0.000 2.131 201 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 201 L C 2.523 179.402 176.870 0.016 0.000 1.092 201 L CA 1.460 56.312 54.840 0.019 0.000 0.759 201 L CB -0.556 41.510 42.059 0.012 0.000 0.903 201 L HN 0.386 nan 8.230 nan 0.000 0.435 202 E N -0.002 120.204 120.200 0.011 0.000 2.152 202 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 202 E C 2.301 178.899 176.600 -0.002 0.000 0.983 202 E CA 0.908 57.307 56.400 -0.003 0.000 0.818 202 E CB 0.037 29.732 29.700 -0.008 0.000 0.758 202 E HN 0.512 nan 8.360 nan 0.000 0.467 203 I N 0.988 121.581 120.570 0.039 0.000 2.353 203 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 203 I C 2.514 178.718 176.117 0.144 0.000 1.119 203 I CA 0.705 62.068 61.300 0.105 0.000 1.417 203 I CB -0.244 37.847 38.000 0.152 0.000 1.078 203 I HN 0.060 nan 8.210 nan 0.000 0.421 204 A N -0.188 122.690 122.820 0.096 0.000 1.933 204 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 204 A C 2.488 180.109 177.584 0.061 0.000 1.175 204 A CA 2.132 54.225 52.037 0.092 0.000 0.628 204 A CB -0.613 18.423 19.000 0.061 0.000 0.814 204 A HN 0.400 nan 8.150 nan 0.000 0.444 205 S N -0.544 115.167 115.700 0.019 0.000 2.371 205 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 205 S C 2.095 176.659 174.600 -0.059 0.000 1.029 205 S CA 1.629 59.822 58.200 -0.012 0.000 0.978 205 S CB -0.300 62.888 63.200 -0.020 0.000 0.833 205 S HN 0.611 nan 8.310 nan 0.000 0.466 206 K N -0.892 119.428 120.400 -0.133 0.000 2.147 206 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 206 K C 0.597 176.939 176.600 -0.430 0.000 1.049 206 K CA 1.347 57.440 56.287 -0.324 0.000 0.936 206 K CB -0.164 32.038 32.500 -0.497 0.000 0.722 206 K HN 0.519 nan 8.250 nan 0.000 0.446 207 Y N 0.656 120.957 120.300 0.001 0.000 2.555 207 Y HA 0.144 4.694 4.550 -0.000 0.000 0.259 207 Y C -0.450 175.450 175.900 -0.000 0.000 1.179 207 Y CA -0.577 57.523 58.100 0.000 0.000 1.230 207 Y CB 0.237 38.697 38.460 0.000 0.000 1.146 207 Y HN 0.156 nan 8.280 nan 0.000 0.526 208 D N 1.173 121.624 120.400 0.085 0.000 2.803 208 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 208 D C -0.936 175.405 176.300 0.068 0.000 1.182 208 D CA 0.689 54.724 54.000 0.057 0.000 0.726 208 D CB -0.927 39.896 40.800 0.039 0.000 0.987 208 D HN 0.329 nan 8.370 nan 0.000 0.412 209 L N 0.247 121.517 121.223 0.078 0.000 2.313 209 L HA 0.651 4.991 4.340 -0.000 0.000 0.268 209 L C 0.206 177.105 176.870 0.048 0.000 1.010 209 L CA -1.401 53.477 54.840 0.064 0.000 0.814 209 L CB 1.131 43.239 42.059 0.081 0.000 1.304 209 L HN -0.035 nan 8.230 nan 0.000 0.441 210 L N 1.541 122.787 121.223 0.038 0.000 2.334 210 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 210 L C -0.424 176.476 176.870 0.050 0.000 1.013 210 L CA -0.081 54.782 54.840 0.038 0.000 0.816 210 L CB 1.757 43.833 42.059 0.028 0.000 1.278 210 L HN 0.308 nan 8.230 nan 0.000 0.431 211 I N 3.668 124.272 120.570 0.056 0.000 2.474 211 I HA 0.424 4.594 4.170 -0.000 0.000 0.294 211 I C -0.576 175.594 176.117 0.088 0.000 1.005 211 I CA -0.441 60.900 61.300 0.068 0.000 1.113 211 I CB 1.765 39.795 38.000 0.050 0.000 1.289 211 I HN 0.341 nan 8.210 nan 0.000 0.436 212 I N 5.481 126.131 120.570 0.133 0.000 2.328 212 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 212 I C -0.017 176.181 176.117 0.136 0.000 1.012 212 I CA -0.351 61.060 61.300 0.185 0.000 1.195 212 I CB 1.209 39.407 38.000 0.331 0.000 1.350 212 I HN 0.614 nan 8.210 nan 0.000 0.464 213 E N 6.155 126.405 120.200 0.084 0.000 2.115 213 E HA 0.096 4.446 4.350 -0.000 0.000 0.282 213 E C -0.918 175.695 176.600 0.022 0.000 0.987 213 E CA -0.618 55.792 56.400 0.017 0.000 0.797 213 E CB 1.039 30.751 29.700 0.020 0.000 1.086 213 E HN 0.414 nan 8.360 nan 0.000 0.397 214 D N 3.901 124.277 120.400 -0.040 0.000 2.411 214 D HA 0.021 4.661 4.640 -0.000 0.000 0.225 214 D C 0.405 176.672 176.300 -0.056 0.000 1.156 214 D CA -0.118 53.872 54.000 -0.017 0.000 0.874 214 D CB 1.065 41.862 40.800 -0.005 0.000 1.034 214 D HN 0.497 nan 8.370 nan 0.000 0.502 215 T N 0.689 115.199 114.554 -0.074 0.000 3.235 215 T HA 0.275 4.625 4.350 -0.000 0.000 0.251 215 T C 1.687 176.276 174.700 -0.185 0.000 1.060 215 T CA 0.139 62.177 62.100 -0.103 0.000 0.949 215 T CB 0.363 69.204 68.868 -0.045 0.000 1.020 215 T HN 0.238 nan 8.240 nan 0.000 0.564 216 A N 1.298 123.973 122.820 -0.242 0.000 1.958 216 A HA -0.104 4.216 4.320 -0.000 0.000 0.221 216 A C 1.381 178.606 177.584 -0.599 0.000 1.178 216 A CA 1.265 53.017 52.037 -0.475 0.000 0.642 216 A CB -0.910 17.689 19.000 -0.669 0.000 0.816 216 A HN 0.735 nan 8.150 nan 0.000 0.453 217 Y N -0.837 119.393 120.300 -0.116 0.000 2.658 217 Y HA 0.185 4.735 4.550 -0.000 0.000 0.276 217 Y C 1.470 177.285 175.900 -0.143 0.000 1.167 217 Y CA -0.369 57.669 58.100 -0.104 0.000 1.230 217 Y CB -0.119 38.275 38.460 -0.110 0.000 1.144 217 Y HN 0.226 nan 8.280 nan 0.000 0.529 218 N N 0.312 118.892 118.700 -0.200 0.000 2.364 218 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 218 N C 0.457 175.756 175.510 -0.351 0.000 1.022 218 N CA 1.250 54.079 53.050 -0.367 0.000 0.883 218 N CB -0.308 37.795 38.487 -0.640 0.000 0.965 218 N HN 0.367 nan 8.380 nan 0.000 0.438 219 F N -0.766 119.315 119.950 0.219 0.000 2.668 219 F HA 0.354 4.881 4.527 -0.000 0.000 0.297 219 F C 1.004 177.060 175.800 0.428 0.000 1.124 219 F CA -0.126 58.091 58.000 0.361 0.000 1.353 219 F CB 0.201 39.458 39.000 0.429 0.000 0.992 219 F HN -0.107 nan 8.300 nan 0.000 0.524 220 M N 0.342 120.147 119.600 0.342 0.000 2.911 220 M HA 0.227 4.707 4.480 -0.000 0.000 0.381 220 M C -0.119 176.097 176.300 -0.140 0.000 1.287 220 M CA 0.161 55.613 55.300 0.253 0.000 0.858 220 M CB 0.440 33.154 32.600 0.191 0.000 1.385 220 M HN -0.043 nan 8.290 nan 0.000 0.504 221 R N -0.077 120.416 120.500 -0.012 0.000 2.254 221 R HA 0.404 4.744 4.340 -0.000 0.000 0.318 221 R C -0.437 175.876 176.300 0.022 0.000 1.031 221 R CA 0.102 56.120 56.100 -0.136 0.000 0.905 221 R CB 1.178 31.488 30.300 0.017 0.000 1.050 221 R HN 0.295 nan 8.270 nan 0.000 0.456 222 Y N 1.159 121.535 120.300 0.127 0.000 2.854 222 Y HA 0.107 4.657 4.550 -0.000 0.000 0.174 222 Y C 0.767 176.712 175.900 0.075 0.000 0.895 222 Y CA -0.815 57.346 58.100 0.101 0.000 1.392 222 Y CB 0.110 38.624 38.460 0.091 0.000 1.071 222 Y HN 0.397 nan 8.280 nan 0.000 0.446 223 E N 1.813 122.176 120.200 0.271 0.000 3.057 223 E HA 0.115 4.465 4.350 -0.000 0.000 0.314 223 E C -0.273 176.388 176.600 0.102 0.000 1.433 223 E CA -0.226 56.262 56.400 0.147 0.000 1.546 223 E CB -0.637 29.134 29.700 0.118 0.000 1.224 223 E HN 0.430 nan 8.360 nan 0.000 0.483 224 G N -0.291 108.565 108.800 0.093 0.000 2.473 224 G HA2 0.481 4.441 3.960 -0.000 0.000 0.321 224 G HA3 0.481 4.441 3.960 -0.000 0.000 0.321 224 G C 0.473 175.407 174.900 0.058 0.000 1.200 224 G CA -0.434 44.702 45.100 0.061 0.000 0.963 224 G HN 0.247 nan 8.290 nan 0.000 0.483 225 G N -0.520 108.305 108.800 0.041 0.000 3.078 225 G HA2 0.317 4.277 3.960 -0.000 0.000 0.163 225 G HA3 0.317 4.277 3.960 -0.000 0.000 0.163 225 G C -0.619 174.304 174.900 0.038 0.000 1.894 225 G CA 0.435 45.557 45.100 0.036 0.000 0.951 225 G HN 0.617 nan 8.290 nan 0.000 0.446 226 D N -0.175 120.235 120.400 0.017 0.000 2.375 226 D HA 0.385 5.025 4.640 -0.000 0.000 0.259 226 D C -0.098 176.187 176.300 -0.025 0.000 1.235 226 D CA -0.509 53.496 54.000 0.007 0.000 0.924 226 D CB 0.303 41.102 40.800 -0.001 0.000 1.143 226 D HN 0.427 nan 8.370 nan 0.000 0.529 227 I N 0.911 121.472 120.570 -0.015 0.000 2.437 227 I HA 0.738 4.908 4.170 -0.000 0.000 0.298 227 I C -0.440 175.648 176.117 -0.048 0.000 0.984 227 I CA -1.049 60.231 61.300 -0.034 0.000 1.214 227 I CB 1.697 39.685 38.000 -0.020 0.000 1.365 227 I HN 0.084 nan 8.210 nan 0.000 0.469 228 V N 2.831 122.702 119.914 -0.072 0.000 2.769 228 V HA 0.738 4.858 4.120 -0.000 0.000 0.312 228 V C -2.555 173.521 176.094 -0.030 0.000 1.061 228 V CA -2.034 60.228 62.300 -0.064 0.000 0.931 228 V CB 1.335 33.068 31.823 -0.150 0.000 1.010 228 V HN 0.769 nan 8.190 nan 0.000 0.433 229 P HA 0.226 nan 4.420 nan 0.000 0.270 229 P C 0.995 178.298 177.300 0.006 0.000 1.223 229 P CA -0.244 62.855 63.100 -0.001 0.000 0.785 229 P CB 1.187 32.896 31.700 0.015 0.000 0.923 230 L N 0.521 121.747 121.223 0.005 0.000 2.127 230 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 230 L C 2.507 179.391 176.870 0.023 0.000 1.089 230 L CA 1.678 56.524 54.840 0.010 0.000 0.757 230 L CB -0.891 41.173 42.059 0.009 0.000 0.899 230 L HN 0.385 nan 8.230 nan 0.000 0.434 231 K N 0.851 121.273 120.400 0.035 0.000 2.209 231 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 231 K C 1.961 178.589 176.600 0.046 0.000 1.048 231 K CA 1.363 57.678 56.287 0.047 0.000 0.940 231 K CB -0.247 32.292 32.500 0.065 0.000 0.729 231 K HN 0.256 nan 8.250 nan 0.000 0.451 232 A N -0.272 122.577 122.820 0.047 0.000 2.014 232 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 232 A C 1.358 178.968 177.584 0.044 0.000 1.163 232 A CA 0.966 53.039 52.037 0.060 0.000 0.652 232 A CB -0.175 18.874 19.000 0.083 0.000 0.808 232 A HN 0.234 nan 8.150 nan 0.000 0.449 233 L N -0.194 121.045 121.223 0.026 0.000 2.585 233 L HA 0.144 4.484 4.340 -0.000 0.000 0.226 233 L C 0.317 177.198 176.870 0.018 0.000 1.113 233 L CA 0.231 55.082 54.840 0.017 0.000 0.876 233 L CB -1.025 41.037 42.059 0.004 0.000 1.072 233 L HN 0.281 nan 8.230 nan 0.000 0.468 234 D N 1.585 121.999 120.400 0.024 0.000 2.482 234 D HA -0.079 4.561 4.640 -0.000 0.000 0.244 234 D C 1.480 177.793 176.300 0.021 0.000 1.242 234 D CA 0.131 54.145 54.000 0.023 0.000 1.097 234 D CB 0.133 40.951 40.800 0.030 0.000 1.109 234 D HN 0.263 nan 8.370 nan 0.000 0.510 235 N N 2.146 120.856 118.700 0.016 0.000 2.409 235 N HA -0.140 4.600 4.740 -0.000 0.000 0.179 235 N C 0.784 176.301 175.510 0.011 0.000 1.032 235 N CA 0.640 53.698 53.050 0.013 0.000 0.898 235 N CB -0.005 38.487 38.487 0.009 0.000 0.971 235 N HN 0.487 nan 8.380 nan 0.000 0.441 236 E N -0.240 119.967 120.200 0.012 0.000 2.400 236 E HA 0.151 4.501 4.350 -0.000 0.000 0.195 236 E C 0.290 176.899 176.600 0.015 0.000 1.012 236 E CA 0.242 56.649 56.400 0.011 0.000 0.875 236 E CB 0.117 29.823 29.700 0.008 0.000 0.859 236 E HN 0.521 nan 8.360 nan 0.000 0.498 237 G N 2.067 110.879 108.800 0.019 0.000 2.204 237 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 237 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 237 G C 0.576 175.491 174.900 0.026 0.000 1.062 237 G CA 0.223 45.337 45.100 0.023 0.000 0.798 237 G HN 0.192 nan 8.290 nan 0.000 0.496 238 R N -0.984 119.533 120.500 0.027 0.000 2.300 238 R HA 0.345 4.685 4.340 -0.000 0.000 0.199 238 R C 1.340 177.663 176.300 0.038 0.000 0.920 238 R CA 0.814 56.933 56.100 0.030 0.000 1.046 238 R CB 0.717 31.035 30.300 0.029 0.000 0.984 238 R HN 0.775 nan 8.270 nan 0.000 0.493 239 V N -0.332 119.606 119.914 0.042 0.000 2.630 239 V HA 0.556 4.676 4.120 -0.000 0.000 0.305 239 V C -0.507 175.624 176.094 0.061 0.000 1.046 239 V CA -0.808 61.523 62.300 0.051 0.000 0.934 239 V CB 1.755 33.606 31.823 0.047 0.000 1.003 239 V HN -0.037 nan 8.190 nan 0.000 0.451 240 I N 5.600 126.215 120.570 0.075 0.000 2.509 240 I HA 0.600 4.770 4.170 -0.000 0.000 0.293 240 I C -0.304 175.876 176.117 0.105 0.000 1.020 240 I CA -0.985 60.368 61.300 0.088 0.000 1.088 240 I CB 2.073 40.125 38.000 0.087 0.000 1.267 240 I HN 0.766 nan 8.210 nan 0.000 0.430 241 V N 3.749 123.737 119.914 0.123 0.000 2.630 241 V HA 0.924 5.044 4.120 -0.000 0.000 0.305 241 V C -0.318 175.845 176.094 0.114 0.000 1.046 241 V CA -0.269 62.108 62.300 0.128 0.000 0.934 241 V CB 1.727 33.652 31.823 0.169 0.000 1.003 241 V HN 0.828 nan 8.190 nan 0.000 0.451 242 A N 4.043 126.892 122.820 0.049 0.000 2.483 242 A HA 0.890 5.210 4.320 -0.000 0.000 0.308 242 A C 0.189 177.632 177.584 -0.235 0.000 1.291 242 A CA 0.105 52.111 52.037 -0.051 0.000 0.774 242 A CB 0.296 19.322 19.000 0.042 0.000 1.134 242 A HN 1.695 nan 8.150 nan 0.000 0.471 243 G N -0.132 108.294 108.800 -0.624 0.000 2.753 243 G HA2 0.769 4.729 3.960 -0.000 0.000 0.285 243 G HA3 0.769 4.729 3.960 -0.000 0.000 0.285 243 G C -0.299 173.712 174.900 -1.483 0.000 1.344 243 G CA -0.137 44.363 45.100 -1.000 0.000 1.050 243 G HN 1.213 nan 8.290 nan 0.000 0.532 244 T N -1.808 111.863 114.554 -1.472 0.000 2.843 244 T HA 0.257 4.607 4.350 -0.000 0.000 0.337 244 T C -0.360 174.156 174.700 -0.307 0.000 1.754 244 T CA -0.626 60.923 62.100 -0.918 0.000 1.052 244 T CB 0.758 69.349 68.868 -0.463 0.000 1.588 244 T HN 0.293 nan 8.240 nan 0.000 0.493 245 L N 2.388 123.582 121.223 -0.049 0.000 2.728 245 L HA 0.260 4.600 4.340 -0.000 0.000 0.238 245 L C 2.474 179.316 176.870 -0.046 0.000 1.143 245 L CA 0.170 55.023 54.840 0.022 0.000 0.937 245 L CB 0.095 42.130 42.059 -0.040 0.000 1.225 245 L HN 0.773 nan 8.230 nan 0.000 0.507 246 S N 0.830 116.492 115.700 -0.064 0.000 2.381 246 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 246 S C 2.051 176.639 174.600 -0.020 0.000 1.052 246 S CA 1.654 59.830 58.200 -0.039 0.000 1.068 246 S CB 0.088 63.237 63.200 -0.085 0.000 0.918 246 S HN 0.308 nan 8.310 nan 0.000 0.448 247 K N 0.387 120.756 120.400 -0.052 0.000 2.296 247 K HA 0.142 4.462 4.320 -0.000 0.000 0.200 247 K C 2.025 178.679 176.600 0.090 0.000 1.048 247 K CA 0.656 56.943 56.287 0.000 0.000 0.966 247 K CB -0.518 31.949 32.500 -0.054 0.000 0.754 247 K HN 0.410 nan 8.250 nan 0.000 0.466 248 V N 0.584 120.493 119.914 -0.009 0.000 2.391 248 V HA -0.076 4.044 4.120 -0.000 0.000 0.237 248 V C 2.089 178.139 176.094 -0.073 0.000 1.046 248 V CA 0.738 62.950 62.300 -0.146 0.000 1.053 248 V CB -0.334 31.346 31.823 -0.238 0.000 0.704 248 V HN 0.055 nan 8.190 nan 0.000 0.475 249 L N 0.171 121.267 121.223 -0.212 0.000 2.209 249 L HA 0.484 4.824 4.340 -0.000 0.000 0.207 249 L C 0.815 177.666 176.870 -0.033 0.000 1.094 249 L CA 1.826 56.447 54.840 -0.366 0.000 0.790 249 L CB -0.007 41.693 42.059 -0.597 0.000 0.932 249 L HN 0.504 nan 8.230 nan 0.000 0.447 250 G N -2.536 106.335 108.800 0.118 0.000 2.277 250 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.272 250 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.272 250 G C 0.027 175.052 174.900 0.208 0.000 1.692 250 G CA -0.090 45.169 45.100 0.265 0.000 0.926 250 G HN -0.172 nan 8.290 nan 0.000 0.720 251 T N 0.304 114.916 114.554 0.097 0.000 3.088 251 T HA 0.171 4.521 4.350 -0.000 0.000 0.259 251 T C 2.155 176.862 174.700 0.012 0.000 1.122 251 T CA 2.453 64.580 62.100 0.045 0.000 1.095 251 T CB -0.321 68.563 68.868 0.026 0.000 0.930 251 T HN 1.198 nan 8.240 nan 0.000 0.508 252 G N -0.787 107.982 108.800 -0.053 0.000 2.838 252 G HA2 0.107 4.067 3.960 -0.000 0.000 0.210 252 G HA3 0.107 4.067 3.960 -0.000 0.000 0.210 252 G C 0.958 175.750 174.900 -0.180 0.000 1.153 252 G CA -0.199 44.814 45.100 -0.145 0.000 0.778 252 G HN 0.499 nan 8.290 nan 0.000 0.539 253 F N 0.747 120.684 119.950 -0.022 0.000 2.365 253 F HA 0.153 4.680 4.527 -0.000 0.000 0.300 253 F C 1.336 177.128 175.800 -0.013 0.000 1.090 253 F CA 0.445 58.432 58.000 -0.021 0.000 1.408 253 F CB 0.276 39.251 39.000 -0.042 0.000 1.060 253 F HN -0.056 nan 8.300 nan 0.000 0.534 254 R N 0.437 121.014 120.500 0.128 0.000 3.261 254 R HA -0.156 4.184 4.340 -0.000 0.000 0.257 254 R C -1.263 175.087 176.300 0.083 0.000 1.014 254 R CA 0.245 56.390 56.100 0.075 0.000 0.681 254 R CB -2.744 27.591 30.300 0.058 0.000 1.155 254 R HN 0.124 nan 8.270 nan 0.000 0.424 255 I N 0.347 120.966 120.570 0.081 0.000 2.390 255 I HA 0.501 4.671 4.170 -0.000 0.000 0.283 255 I C 1.144 177.288 176.117 0.046 0.000 1.016 255 I CA -0.194 61.154 61.300 0.079 0.000 1.151 255 I CB 1.441 39.482 38.000 0.068 0.000 1.293 255 I HN 0.328 nan 8.210 nan 0.000 0.458 256 G N 5.433 114.252 108.800 0.032 0.000 2.949 256 G HA2 0.788 4.748 3.960 -0.000 0.000 0.285 256 G HA3 0.788 4.748 3.960 -0.000 0.000 0.285 256 G C -2.138 172.801 174.900 0.064 0.000 1.395 256 G CA -0.537 44.459 45.100 -0.172 0.000 0.901 256 G HN 0.554 nan 8.290 nan 0.000 0.519 257 W N -1.564 119.756 121.300 0.034 0.000 3.066 257 W HA 0.771 5.431 4.660 -0.000 0.000 0.330 257 W C -1.879 174.669 176.519 0.049 0.000 1.253 257 W CA -1.374 55.993 57.345 0.037 0.000 1.187 257 W CB 0.793 30.276 29.460 0.037 0.000 1.434 257 W HN 0.476 nan 8.180 nan 0.000 0.572 258 I N 2.231 122.984 120.570 0.305 0.000 2.509 258 I HA 0.466 4.636 4.170 -0.000 0.000 0.293 258 I C -0.624 175.652 176.117 0.266 0.000 1.020 258 I CA -1.260 60.169 61.300 0.214 0.000 1.088 258 I CB 1.874 39.952 38.000 0.129 0.000 1.267 258 I HN 0.401 nan 8.210 nan 0.000 0.430 259 I N 5.543 126.253 120.570 0.233 0.000 2.437 259 I HA 0.573 4.743 4.170 -0.000 0.000 0.279 259 I C -0.052 176.136 176.117 0.118 0.000 1.028 259 I CA -0.024 61.382 61.300 0.177 0.000 1.142 259 I CB 1.334 39.450 38.000 0.192 0.000 1.266 259 I HN 0.653 nan 8.210 nan 0.000 0.461 260 A N 5.548 128.421 122.820 0.089 0.000 2.475 260 A HA 0.945 5.265 4.320 -0.000 0.000 0.281 260 A C -0.954 176.660 177.584 0.049 0.000 1.263 260 A CA -0.506 51.570 52.037 0.066 0.000 0.776 260 A CB 1.872 20.907 19.000 0.059 0.000 1.347 260 A HN 0.600 nan 8.150 nan 0.000 0.443 261 E N -1.772 118.450 120.200 0.037 0.000 2.449 261 E HA 0.533 4.883 4.350 -0.000 0.000 0.278 261 E C 0.336 176.948 176.600 0.020 0.000 0.992 261 E CA -0.323 56.094 56.400 0.027 0.000 0.807 261 E CB 1.824 31.540 29.700 0.025 0.000 1.350 261 E HN 1.741 nan 8.360 nan 0.000 0.462 262 G N 1.027 109.836 108.800 0.016 0.000 2.594 262 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.297 262 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.297 262 G C 0.597 175.502 174.900 0.010 0.000 1.273 262 G CA 0.945 46.052 45.100 0.011 0.000 0.974 262 G HN 0.617 nan 8.290 nan 0.000 0.552 263 E N 0.084 120.288 120.200 0.007 0.000 2.265 263 E HA 0.081 4.431 4.350 -0.000 0.000 0.196 263 E C 2.531 179.135 176.600 0.005 0.000 0.996 263 E CA 1.115 57.517 56.400 0.005 0.000 0.832 263 E CB -0.067 29.634 29.700 0.002 0.000 0.756 263 E HN 0.541 nan 8.360 nan 0.000 0.491 264 I N -0.073 120.503 120.570 0.009 0.000 2.286 264 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 264 I C 2.050 178.176 176.117 0.015 0.000 1.104 264 I CA 0.388 61.694 61.300 0.011 0.000 1.397 264 I CB -0.058 37.951 38.000 0.015 0.000 1.072 264 I HN 0.167 nan 8.210 nan 0.000 0.417 265 L N 1.351 122.586 121.223 0.019 0.000 2.027 265 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 265 L C 2.478 179.356 176.870 0.014 0.000 1.074 265 L CA 1.923 56.777 54.840 0.023 0.000 0.745 265 L CB -0.703 41.371 42.059 0.025 0.000 0.898 265 L HN 0.084 nan 8.230 nan 0.000 0.433 266 K N -0.554 119.851 120.400 0.008 0.000 2.020 266 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 266 K C 2.093 178.691 176.600 -0.003 0.000 1.050 266 K CA 1.757 58.045 56.287 0.002 0.000 0.929 266 K CB -0.067 32.433 32.500 -0.000 0.000 0.714 266 K HN 0.259 nan 8.250 nan 0.000 0.443 267 K N 0.357 120.756 120.400 -0.002 0.000 2.097 267 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 267 K C 2.172 178.769 176.600 -0.005 0.000 1.050 267 K CA 1.060 57.344 56.287 -0.005 0.000 0.938 267 K CB -0.289 32.208 32.500 -0.005 0.000 0.718 267 K HN 0.071 nan 8.250 nan 0.000 0.442 268 V N 1.672 121.588 119.914 0.003 0.000 2.343 268 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 268 V C 2.323 178.419 176.094 0.002 0.000 1.051 268 V CA 1.349 63.654 62.300 0.008 0.000 1.036 268 V CB -0.312 31.525 31.823 0.023 0.000 0.654 268 V HN 0.134 nan 8.190 nan 0.000 0.451 269 L N -1.269 119.954 121.223 -0.000 0.000 2.044 269 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 269 L C 2.274 179.126 176.870 -0.030 0.000 1.075 269 L CA 1.947 56.781 54.840 -0.010 0.000 0.747 269 L CB -0.813 41.242 42.059 -0.007 0.000 0.903 269 L HN 0.268 nan 8.230 nan 0.000 0.435 270 M N -0.756 118.827 119.600 -0.028 0.000 2.202 270 M HA -0.273 4.207 4.480 -0.000 0.000 0.262 270 M C 2.008 178.278 176.300 -0.050 0.000 1.063 270 M CA 1.879 57.155 55.300 -0.039 0.000 1.097 270 M CB -0.013 32.570 32.600 -0.028 0.000 1.382 270 M HN 0.492 nan 8.290 nan 0.000 0.413 271 Q N -1.078 118.699 119.800 -0.039 0.000 2.408 271 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 271 Q C 1.693 177.663 176.000 -0.050 0.000 0.919 271 Q CA 0.506 56.285 55.803 -0.040 0.000 0.932 271 Q CB -0.162 28.563 28.738 -0.021 0.000 1.058 271 Q HN 0.427 nan 8.270 nan 0.000 0.517 272 K N 1.144 121.513 120.400 -0.052 0.000 2.057 272 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 272 K C 2.195 178.733 176.600 -0.103 0.000 1.050 272 K CA 1.592 57.848 56.287 -0.052 0.000 0.935 272 K CB 0.066 32.548 32.500 -0.030 0.000 0.715 272 K HN 0.327 nan 8.250 nan 0.000 0.439 273 Q N 0.195 119.880 119.800 -0.192 0.000 2.124 273 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 273 Q C -1.120 174.667 176.000 -0.354 0.000 0.977 273 Q CA 1.333 56.898 55.803 -0.398 0.000 0.850 273 Q CB -0.215 28.187 28.738 -0.559 0.000 0.901 273 Q HN 0.263 nan 8.270 nan 0.000 0.429 274 P HA 0.014 nan 4.420 nan 0.000 0.241 274 P C 0.299 177.575 177.300 -0.040 0.000 1.191 274 P CA 0.885 63.916 63.100 -0.114 0.000 0.771 274 P CB 0.216 31.865 31.700 -0.086 0.000 0.929 275 I N -0.454 120.096 120.570 -0.032 0.000 2.899 275 I HA -0.002 4.168 4.170 -0.000 0.000 0.257 275 I C 1.173 177.315 176.117 0.042 0.000 1.115 275 I CA 1.158 62.462 61.300 0.008 0.000 1.451 275 I CB 0.000 38.003 38.000 0.004 0.000 1.251 275 I HN -0.047 nan 8.210 nan 0.000 0.456 276 D N -1.514 118.917 120.400 0.052 0.000 2.520 276 D HA 0.040 4.680 4.640 -0.000 0.000 0.223 276 D C 1.274 177.694 176.300 0.200 0.000 1.186 276 D CA -0.516 53.547 54.000 0.105 0.000 0.821 276 D CB 0.043 40.894 40.800 0.083 0.000 1.072 276 D HN 0.233 nan 8.370 nan 0.000 0.518 277 F N 0.037 119.970 119.950 -0.029 0.000 2.571 277 F HA -0.440 4.087 4.527 -0.000 0.000 0.671 277 F C 0.320 176.092 175.800 -0.047 0.000 0.488 277 F CA 2.019 59.967 58.000 -0.086 0.000 0.731 277 F CB -0.916 38.008 39.000 -0.127 0.000 1.619 277 F HN 0.575 nan 8.300 nan 0.000 0.262 278 C N -1.414 118.062 119.300 0.292 0.000 3.045 278 C HA 0.744 5.204 4.460 -0.000 0.000 0.338 278 C C -0.101 174.990 174.990 0.168 0.000 1.267 278 C CA -1.145 58.000 59.018 0.210 0.000 1.177 278 C CB 0.404 28.311 27.740 0.278 0.000 1.380 278 C HN 1.380 nan 8.230 nan 0.000 0.469 279 A N 1.385 124.278 122.820 0.122 0.000 2.366 279 A HA 0.749 5.069 4.320 -0.000 0.000 0.249 279 A C -2.458 175.189 177.584 0.105 0.000 1.084 279 A CA -0.837 51.261 52.037 0.101 0.000 0.794 279 A CB -0.697 18.351 19.000 0.081 0.000 1.034 279 A HN 0.814 nan 8.150 nan 0.000 0.491 280 P HA 0.066 nan 4.420 nan 0.000 0.261 280 P C 0.653 178.013 177.300 0.100 0.000 1.173 280 P CA 0.959 64.120 63.100 0.102 0.000 0.760 280 P CB 0.676 32.441 31.700 0.108 0.000 0.783 281 A N 4.891 127.781 122.820 0.116 0.000 1.877 281 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 281 A C 1.841 179.559 177.584 0.223 0.000 1.186 281 A CA 1.636 53.767 52.037 0.157 0.000 0.620 281 A CB -1.397 17.713 19.000 0.182 0.000 0.822 281 A HN 0.628 nan 8.150 nan 0.000 0.443 282 I N -0.518 120.167 120.570 0.193 0.000 2.076 282 I HA -0.271 3.899 4.170 -0.000 0.000 0.237 282 I C 2.549 178.781 176.117 0.192 0.000 1.059 282 I CA 1.786 63.211 61.300 0.209 0.000 1.317 282 I CB -1.206 36.897 38.000 0.171 0.000 1.037 282 I HN 0.185 nan 8.210 nan 0.000 0.398 283 S N 0.403 116.216 115.700 0.189 0.000 2.372 283 S HA -0.308 4.162 4.470 -0.000 0.000 0.227 283 S C 2.040 176.639 174.600 -0.002 0.000 1.044 283 S CA 1.910 60.201 58.200 0.151 0.000 1.050 283 S CB -0.597 62.741 63.200 0.230 0.000 0.901 283 S HN 0.494 nan 8.310 nan 0.000 0.447 284 Q N -0.789 119.001 119.800 -0.017 0.000 2.135 284 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 284 Q C 1.877 177.743 176.000 -0.224 0.000 0.981 284 Q CA 1.663 57.379 55.803 -0.146 0.000 0.856 284 Q CB -0.244 28.363 28.738 -0.218 0.000 0.902 284 Q HN 0.621 nan 8.270 nan 0.000 0.425 285 Y N -0.144 120.153 120.300 -0.005 0.000 2.286 285 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 285 Y C 1.958 177.840 175.900 -0.030 0.000 1.124 285 Y CA 0.551 58.645 58.100 -0.010 0.000 1.178 285 Y CB 0.026 38.491 38.460 0.008 0.000 1.010 285 Y HN 0.075 nan 8.280 nan 0.000 0.536 286 I N -0.749 119.870 120.570 0.082 0.000 2.361 286 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 286 I C 2.412 178.465 176.117 -0.107 0.000 1.133 286 I CA 1.242 62.526 61.300 -0.026 0.000 1.413 286 I CB -0.454 37.459 38.000 -0.145 0.000 1.073 286 I HN 0.171 nan 8.210 nan 0.000 0.424 287 A N 0.504 123.221 122.820 -0.171 0.000 1.970 287 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 287 A C 2.183 179.713 177.584 -0.091 0.000 1.170 287 A CA 0.853 52.769 52.037 -0.203 0.000 0.645 287 A CB -0.521 18.337 19.000 -0.237 0.000 0.816 287 A HN 0.338 nan 8.150 nan 0.000 0.447 288 L N -0.035 121.146 121.223 -0.071 0.000 1.994 288 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 288 L C 2.185 179.043 176.870 -0.019 0.000 1.071 288 L CA 2.310 57.120 54.840 -0.051 0.000 0.745 288 L CB -0.616 41.424 42.059 -0.031 0.000 0.892 288 L HN 0.327 nan 8.230 nan 0.000 0.431 289 E N -1.101 119.113 120.200 0.023 0.000 2.047 289 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 289 E C 2.160 178.715 176.600 -0.075 0.000 0.987 289 E CA 1.618 58.016 56.400 -0.004 0.000 0.799 289 E CB -0.711 29.022 29.700 0.055 0.000 0.752 289 E HN 0.671 nan 8.360 nan 0.000 0.449 290 Y N 1.407 121.634 120.300 -0.121 0.000 2.139 290 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 290 Y C 2.176 177.945 175.900 -0.218 0.000 1.179 290 Y CA 1.700 59.740 58.100 -0.101 0.000 1.161 290 Y CB -0.232 38.184 38.460 -0.074 0.000 0.970 290 Y HN -0.036 nan 8.280 nan 0.000 0.511 291 L N -0.212 121.006 121.223 -0.007 0.000 2.095 291 L HA -0.151 4.189 4.340 -0.000 0.000 0.204 291 L C 2.427 179.211 176.870 -0.143 0.000 1.080 291 L CA 1.217 56.000 54.840 -0.094 0.000 0.759 291 L CB -0.492 41.496 42.059 -0.118 0.000 0.914 291 L HN 0.091 nan 8.230 nan 0.000 0.439 292 K N 0.312 120.623 120.400 -0.148 0.000 2.147 292 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 292 K C 1.422 177.901 176.600 -0.201 0.000 1.049 292 K CA 1.050 57.258 56.287 -0.132 0.000 0.936 292 K CB 0.002 32.447 32.500 -0.092 0.000 0.722 292 K HN 0.291 nan 8.250 nan 0.000 0.446 293 R N 0.062 120.315 120.500 -0.412 0.000 2.515 293 R HA 0.090 4.430 4.340 -0.000 0.000 0.294 293 R C 0.276 176.238 176.300 -0.564 0.000 1.021 293 R CA 0.202 55.985 56.100 -0.528 0.000 1.081 293 R CB 0.675 30.534 30.300 -0.736 0.000 1.263 293 R HN 0.230 nan 8.270 nan 0.000 0.557 294 G N 1.242 109.844 108.800 -0.330 0.000 2.356 294 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.296 294 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.296 294 G C 0.323 175.213 174.900 -0.017 0.000 1.022 294 G CA 0.313 45.350 45.100 -0.105 0.000 0.961 294 G HN 0.597 nan 8.290 nan 0.000 0.510 295 Y N -1.864 118.277 120.300 -0.265 0.000 2.544 295 Y HA 0.123 4.673 4.550 -0.000 0.000 0.286 295 Y C 2.395 178.137 175.900 -0.263 0.000 1.141 295 Y CA 0.132 58.076 58.100 -0.261 0.000 1.299 295 Y CB -0.052 38.077 38.460 -0.552 0.000 1.030 295 Y HN 0.448 nan 8.280 nan 0.000 0.543 296 F N 1.886 121.664 119.950 -0.286 0.000 2.113 296 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 296 F C 2.275 178.114 175.800 0.065 0.000 1.103 296 F CA 1.998 60.002 58.000 0.007 0.000 1.248 296 F CB -0.426 38.552 39.000 -0.037 0.000 0.999 296 F HN 0.031 nan 8.300 nan 0.000 0.475 297 E N -0.088 119.990 120.200 -0.202 0.000 2.107 297 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 297 E C 2.287 178.792 176.600 -0.158 0.000 0.982 297 E CA 0.697 56.935 56.400 -0.268 0.000 0.809 297 E CB -0.169 29.520 29.700 -0.018 0.000 0.756 297 E HN 0.125 nan 8.360 nan 0.000 0.459 298 K N 0.080 120.425 120.400 -0.091 0.000 2.025 298 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 298 K C 1.687 178.058 176.600 -0.381 0.000 1.049 298 K CA 1.589 57.730 56.287 -0.244 0.000 0.933 298 K CB -0.231 32.106 32.500 -0.273 0.000 0.714 298 K HN 0.282 nan 8.250 nan 0.000 0.438 299 Y N -1.507 118.778 120.300 -0.024 0.000 2.522 299 Y HA 0.065 4.615 4.550 -0.000 0.000 0.277 299 Y C 2.532 178.452 175.900 0.032 0.000 1.104 299 Y CA 0.729 58.833 58.100 0.007 0.000 1.260 299 Y CB -0.179 38.315 38.460 0.057 0.000 1.151 299 Y HN 0.248 nan 8.280 nan 0.000 0.539 300 H N 0.183 119.313 119.070 0.100 0.000 2.300 300 H HA 0.005 4.561 4.556 -0.000 0.000 0.312 300 H C 2.094 177.354 175.328 -0.112 0.000 1.057 300 H CA 1.144 57.214 56.048 0.037 0.000 1.380 300 H CB -0.204 29.623 29.762 0.108 0.000 1.424 300 H HN 0.206 nan 8.280 nan 0.000 0.534 301 L N 0.871 121.883 121.223 -0.352 0.000 2.043 301 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 301 L C 1.749 178.511 176.870 -0.180 0.000 1.075 301 L CA 2.106 56.758 54.840 -0.313 0.000 0.752 301 L CB -0.358 41.465 42.059 -0.393 0.000 0.891 301 L HN 0.547 nan 8.230 nan 0.000 0.432 302 E N -1.471 118.631 120.200 -0.162 0.000 2.569 302 E HA 0.184 4.534 4.350 -0.000 0.000 0.205 302 E C 1.085 177.612 176.600 -0.121 0.000 1.006 302 E CA 0.416 56.745 56.400 -0.119 0.000 0.985 302 E CB 0.645 30.283 29.700 -0.104 0.000 1.060 302 E HN 0.314 nan 8.360 nan 0.000 0.460 303 G N 1.018 109.739 108.800 -0.132 0.000 2.553 303 G HA2 0.231 4.191 3.960 -0.000 0.000 0.190 303 G HA3 0.231 4.191 3.960 -0.000 0.000 0.190 303 G C 1.396 176.198 174.900 -0.164 0.000 1.217 303 G CA 0.360 45.393 45.100 -0.111 0.000 0.654 303 G HN 0.225 nan 8.290 nan 0.000 0.727 304 A N 0.585 123.291 122.820 -0.190 0.000 1.872 304 A HA 0.239 4.559 4.320 -0.000 0.000 0.214 304 A C 2.363 179.689 177.584 -0.429 0.000 1.187 304 A CA 1.489 53.322 52.037 -0.341 0.000 0.614 304 A CB -0.702 18.232 19.000 -0.111 0.000 0.826 304 A HN 0.400 nan 8.150 nan 0.000 0.442 305 L N -0.386 120.641 121.223 -0.326 0.000 2.043 305 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 305 L C 2.200 179.049 176.870 -0.034 0.000 1.075 305 L CA 1.241 56.060 54.840 -0.034 0.000 0.752 305 L CB -0.176 41.842 42.059 -0.067 0.000 0.891 305 L HN 0.288 nan 8.230 nan 0.000 0.432 306 L N -0.631 120.518 121.223 -0.123 0.000 2.141 306 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 306 L C 2.640 179.404 176.870 -0.177 0.000 1.094 306 L CA 1.790 56.553 54.840 -0.128 0.000 0.763 306 L CB -2.198 39.797 42.059 -0.106 0.000 0.908 306 L HN 0.377 nan 8.230 nan 0.000 0.437 307 G N -1.484 107.169 108.800 -0.245 0.000 2.408 307 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 307 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 307 G C 1.406 176.176 174.900 -0.217 0.000 1.150 307 G CA 0.308 45.248 45.100 -0.267 0.000 0.776 307 G HN 0.255 nan 8.290 nan 0.000 0.542 308 Y N 0.735 120.990 120.300 -0.075 0.000 2.163 308 Y HA 0.018 4.568 4.550 -0.000 0.000 0.288 308 Y C 2.687 178.370 175.900 -0.360 0.000 1.136 308 Y CA 1.097 59.174 58.100 -0.037 0.000 1.147 308 Y CB -0.535 38.018 38.460 0.155 0.000 0.987 308 Y HN 0.147 nan 8.280 nan 0.000 0.509 309 K N 0.660 120.709 120.400 -0.586 0.000 2.074 309 K HA -0.291 4.029 4.320 -0.000 0.000 0.209 309 K C 2.136 178.487 176.600 -0.416 0.000 1.048 309 K CA 2.015 57.780 56.287 -0.870 0.000 0.926 309 K CB -0.200 31.976 32.500 -0.540 0.000 0.713 309 K HN 0.417 nan 8.250 nan 0.000 0.444 310 E N 0.502 120.552 120.200 -0.251 0.000 2.077 310 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 310 E C 1.664 178.171 176.600 -0.154 0.000 0.989 310 E CA 1.332 57.631 56.400 -0.167 0.000 0.800 310 E CB 0.151 29.778 29.700 -0.122 0.000 0.746 310 E HN 0.285 nan 8.360 nan 0.000 0.452 311 K N 0.254 120.590 120.400 -0.107 0.000 2.211 311 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 311 K C 2.320 178.764 176.600 -0.259 0.000 1.050 311 K CA 0.416 56.672 56.287 -0.053 0.000 0.945 311 K CB -0.078 32.516 32.500 0.156 0.000 0.732 311 K HN -0.001 nan 8.250 nan 0.000 0.451 312 R N 1.890 122.080 120.500 -0.516 0.000 2.062 312 R HA -0.141 4.199 4.340 -0.000 0.000 0.231 312 R C 1.199 177.207 176.300 -0.487 0.000 1.136 312 R CA 1.836 57.350 56.100 -0.977 0.000 0.948 312 R CB -0.351 29.475 30.300 -0.791 0.000 0.845 312 R HN 0.182 nan 8.270 nan 0.000 0.430 313 D N 0.632 120.854 120.400 -0.296 0.000 2.144 313 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 313 D C 2.088 178.304 176.300 -0.142 0.000 0.984 313 D CA 1.136 55.032 54.000 -0.173 0.000 0.834 313 D CB -0.232 40.494 40.800 -0.123 0.000 0.955 313 D HN 0.323 nan 8.370 nan 0.000 0.465 314 I N 0.736 121.220 120.570 -0.143 0.000 2.179 314 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 314 I C 2.622 178.670 176.117 -0.114 0.000 1.088 314 I CA 0.892 62.131 61.300 -0.102 0.000 1.357 314 I CB -0.259 37.692 38.000 -0.081 0.000 1.051 314 I HN -0.013 nan 8.210 nan 0.000 0.409 315 M N 0.764 120.273 119.600 -0.152 0.000 2.117 315 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 315 M C 2.276 178.464 176.300 -0.187 0.000 1.065 315 M CA 1.865 57.073 55.300 -0.153 0.000 1.114 315 M CB 0.017 32.538 32.600 -0.132 0.000 1.361 315 M HN 0.161 nan 8.290 nan 0.000 0.408 316 L N 0.051 121.165 121.223 -0.181 0.000 2.027 316 L HA -0.227 4.113 4.340 -0.000 0.000 0.206 316 L C 2.670 179.488 176.870 -0.087 0.000 1.074 316 L CA 1.495 56.252 54.840 -0.138 0.000 0.745 316 L CB -0.813 41.211 42.059 -0.058 0.000 0.898 316 L HN 0.383 nan 8.230 nan 0.000 0.433 317 K N 0.398 120.763 120.400 -0.060 0.000 2.032 317 K HA -0.228 4.091 4.320 -0.000 0.000 0.209 317 K C 2.121 178.714 176.600 -0.011 0.000 1.048 317 K CA 1.540 57.817 56.287 -0.017 0.000 0.927 317 K CB -0.107 32.382 32.500 -0.018 0.000 0.712 317 K HN 0.269 nan 8.250 nan 0.000 0.441 318 A N 1.524 124.316 122.820 -0.047 0.000 1.892 318 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 318 A C 2.205 179.761 177.584 -0.048 0.000 1.188 318 A CA 1.569 53.585 52.037 -0.034 0.000 0.631 318 A CB -0.706 18.226 19.000 -0.112 0.000 0.822 318 A HN 0.334 nan 8.150 nan 0.000 0.447 319 L N -1.356 119.747 121.223 -0.201 0.000 1.994 319 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 319 L C 2.684 179.495 176.870 -0.099 0.000 1.071 319 L CA 1.892 56.516 54.840 -0.359 0.000 0.745 319 L CB -0.527 40.948 42.059 -0.973 0.000 0.892 319 L HN 0.445 nan 8.230 nan 0.000 0.431 320 E N 0.060 120.273 120.200 0.021 0.000 2.160 320 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 320 E C 1.994 178.681 176.600 0.144 0.000 0.991 320 E CA 1.146 57.684 56.400 0.231 0.000 0.810 320 E CB -0.011 29.804 29.700 0.193 0.000 0.742 320 E HN 0.288 nan 8.360 nan 0.000 0.466 321 N N -0.792 117.968 118.700 0.101 0.000 2.109 321 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 321 N C 1.488 177.008 175.510 0.016 0.000 1.034 321 N CA 1.415 54.505 53.050 0.067 0.000 0.846 321 N CB -0.095 38.452 38.487 0.100 0.000 1.010 321 N HN 0.294 nan 8.380 nan 0.000 0.425 322 H N -0.726 118.347 119.070 0.005 0.000 2.384 322 H HA 0.242 4.798 4.556 -0.000 0.000 0.300 322 H C -0.095 175.253 175.328 0.034 0.000 1.057 322 H CA 0.578 56.633 56.048 0.012 0.000 1.370 322 H CB 0.304 30.053 29.762 -0.021 0.000 1.417 322 H HN 0.054 nan 8.280 nan 0.000 0.527 323 L N 2.742 124.057 121.223 0.153 0.000 2.709 323 L HA 0.207 4.547 4.340 -0.000 0.000 0.236 323 L C -1.783 175.243 176.870 0.261 0.000 1.266 323 L CA -1.296 53.627 54.840 0.139 0.000 0.987 323 L CB 0.806 42.904 42.059 0.065 0.000 1.306 323 L HN 0.153 nan 8.230 nan 0.000 0.467 324 P HA -0.054 nan 4.420 nan 0.000 0.222 324 P C 0.579 177.944 177.300 0.108 0.000 1.153 324 P CA 0.843 64.043 63.100 0.167 0.000 0.798 324 P CB 0.582 32.345 31.700 0.105 0.000 0.796 325 N N -0.087 118.680 118.700 0.111 0.000 2.322 325 N HA 0.163 4.903 4.740 -0.000 0.000 0.194 325 N C 0.730 176.282 175.510 0.070 0.000 1.126 325 N CA 0.123 53.222 53.050 0.082 0.000 0.845 325 N CB 0.360 38.915 38.487 0.113 0.000 0.976 325 N HN 0.172 nan 8.380 nan 0.000 0.475 326 A N 0.170 123.034 122.820 0.074 0.000 2.299 326 A HA 0.552 4.871 4.320 -0.000 0.000 0.332 326 A C -0.036 177.469 177.584 -0.132 0.000 1.131 326 A CA -0.476 51.562 52.037 0.002 0.000 0.844 326 A CB 1.742 20.724 19.000 -0.028 0.000 1.251 326 A HN -0.096 nan 8.150 nan 0.000 0.486 327 E N -0.021 120.040 120.200 -0.230 0.000 2.191 327 E HA 0.675 5.025 4.350 -0.000 0.000 0.274 327 E C -1.575 174.973 176.600 -0.086 0.000 0.948 327 E CA -0.008 56.205 56.400 -0.311 0.000 0.802 327 E CB 1.564 31.109 29.700 -0.258 0.000 1.137 327 E HN 0.484 nan 8.360 nan 0.000 0.397 328 F N -2.077 117.948 119.950 0.126 0.000 2.693 328 F HA 0.413 4.940 4.527 -0.000 0.000 0.309 328 F C -0.096 175.814 175.800 0.183 0.000 1.129 328 F CA -1.310 56.821 58.000 0.218 0.000 0.948 328 F CB 0.355 39.521 39.000 0.276 0.000 1.315 328 F HN 0.152 nan 8.300 nan 0.000 0.447 329 T N -0.373 114.430 114.554 0.414 0.000 2.882 329 T HA 0.511 4.861 4.350 -0.000 0.000 0.287 329 T C -0.607 174.272 174.700 0.299 0.000 1.014 329 T CA -0.917 61.348 62.100 0.275 0.000 1.049 329 T CB 1.028 70.030 68.868 0.224 0.000 1.001 329 T HN 0.581 nan 8.240 nan 0.000 0.525 330 K N 2.547 123.064 120.400 0.195 0.000 2.540 330 K HA 0.372 4.692 4.320 -0.000 0.000 0.218 330 K C -2.844 173.834 176.600 0.131 0.000 1.017 330 K CA -1.864 54.526 56.287 0.170 0.000 1.029 330 K CB 0.892 33.471 32.500 0.131 0.000 1.348 330 K HN 0.485 nan 8.250 nan 0.000 0.508 331 P HA 0.202 nan 4.420 nan 0.000 0.271 331 P C 0.827 178.203 177.300 0.127 0.000 1.218 331 P CA -0.344 62.841 63.100 0.141 0.000 0.780 331 P CB 0.551 32.391 31.700 0.234 0.000 0.901 332 I N -1.286 119.320 120.570 0.061 0.000 4.154 332 I HA 0.686 4.856 4.170 -0.000 0.000 0.334 332 I C 0.210 176.253 176.117 -0.124 0.000 1.371 332 I CA -0.253 61.074 61.300 0.045 0.000 1.110 332 I CB 0.392 38.413 38.000 0.035 0.000 1.085 332 I HN 0.218 nan 8.210 nan 0.000 0.398 333 A N 0.292 122.996 122.820 -0.193 0.000 2.586 333 A HA 0.786 5.106 4.320 -0.000 0.000 0.290 333 A C 0.069 177.503 177.584 -0.251 0.000 1.086 333 A CA -0.125 51.681 52.037 -0.384 0.000 0.665 333 A CB 0.332 19.211 19.000 -0.201 0.000 1.279 333 A HN 1.060 nan 8.150 nan 0.000 0.423 334 G N -0.640 108.000 108.800 -0.266 0.000 2.527 334 G HA2 0.146 4.106 3.960 -0.000 0.000 0.227 334 G HA3 0.146 4.106 3.960 -0.000 0.000 0.227 334 G C 0.334 175.019 174.900 -0.357 0.000 1.291 334 G CA 0.971 45.870 45.100 -0.335 0.000 0.904 334 G HN 2.267 nan 8.290 nan 0.000 0.577 335 M N -1.940 117.197 119.600 -0.772 0.000 2.449 335 M HA 0.594 5.074 4.480 -0.000 0.000 0.410 335 M C -0.386 174.881 176.300 -1.721 0.000 1.079 335 M CA -0.136 54.314 55.300 -1.416 0.000 0.922 335 M CB 0.607 32.448 32.600 -1.264 0.000 1.676 335 M HN 0.306 nan 8.290 nan 0.000 0.572 336 F N 0.255 119.898 119.950 -0.512 0.000 2.611 336 F HA 0.828 5.355 4.527 -0.000 0.000 0.324 336 F C -0.339 175.528 175.800 0.111 0.000 1.061 336 F CA -1.334 56.532 58.000 -0.222 0.000 0.954 336 F CB 2.008 40.864 39.000 -0.240 0.000 1.301 336 F HN -0.302 nan 8.300 nan 0.000 0.482 337 V N 2.310 122.433 119.914 0.347 0.000 2.638 337 V HA 0.418 4.538 4.120 -0.000 0.000 0.306 337 V C -0.843 175.344 176.094 0.155 0.000 1.052 337 V CA -0.638 61.826 62.300 0.274 0.000 0.885 337 V CB 1.946 33.926 31.823 0.262 0.000 0.999 337 V HN 0.702 nan 8.190 nan 0.000 0.424 338 M N 5.727 125.395 119.600 0.113 0.000 2.129 338 M HA 0.550 5.030 4.480 -0.000 0.000 0.348 338 M C -1.265 175.017 176.300 -0.030 0.000 1.116 338 M CA -0.362 54.901 55.300 -0.061 0.000 1.022 338 M CB 0.770 33.278 32.600 -0.153 0.000 1.599 338 M HN 0.535 nan 8.290 nan 0.000 0.449 339 F N 5.272 125.071 119.950 -0.252 0.000 2.422 339 F HA 0.686 5.213 4.527 -0.000 0.000 0.333 339 F C -1.715 173.850 175.800 -0.392 0.000 1.095 339 F CA -0.690 57.234 58.000 -0.126 0.000 1.038 339 F CB 0.764 39.732 39.000 -0.053 0.000 1.156 339 F HN 0.489 nan 8.300 nan 0.000 0.483 340 F N 6.380 125.870 119.950 -0.767 0.000 2.467 340 F HA 0.458 4.985 4.527 -0.000 0.000 0.336 340 F C -0.500 174.829 175.800 -0.786 0.000 1.123 340 F CA -0.832 56.816 58.000 -0.586 0.000 0.964 340 F CB 1.173 39.959 39.000 -0.357 0.000 1.136 340 F HN 0.221 nan 8.300 nan 0.000 0.447 341 L N 4.529 125.553 121.223 -0.331 0.000 2.482 341 L HA 0.424 4.764 4.340 -0.000 0.000 0.242 341 L C -2.047 174.605 176.870 -0.363 0.000 1.210 341 L CA -2.189 52.421 54.840 -0.383 0.000 0.819 341 L CB -0.271 41.504 42.059 -0.473 0.000 1.203 341 L HN 0.334 nan 8.230 nan 0.000 0.495 342 P HA 0.040 nan 4.420 nan 0.000 0.268 342 P C -1.087 176.068 177.300 -0.241 0.000 1.205 342 P CA -0.368 62.514 63.100 -0.364 0.000 0.771 342 P CB 0.155 31.584 31.700 -0.452 0.000 0.858 343 E N 2.793 122.901 120.200 -0.155 0.000 2.614 343 E HA 0.078 4.428 4.350 -0.000 0.000 0.245 343 E C 1.117 177.665 176.600 -0.087 0.000 1.039 343 E CA 0.678 57.010 56.400 -0.113 0.000 0.948 343 E CB -1.016 28.623 29.700 -0.102 0.000 0.937 343 E HN 0.813 nan 8.360 nan 0.000 0.498 344 G N 1.941 110.696 108.800 -0.074 0.000 2.428 344 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.199 344 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.199 344 G C 0.388 175.276 174.900 -0.021 0.000 1.005 344 G CA -0.141 44.935 45.100 -0.040 0.000 0.671 344 G HN 0.928 nan 8.290 nan 0.000 0.485 345 A N 0.646 123.432 122.820 -0.055 0.000 2.462 345 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 345 A C 0.145 177.742 177.584 0.022 0.000 1.076 345 A CA 0.803 52.838 52.037 -0.003 0.000 0.773 345 A CB 0.340 19.233 19.000 -0.177 0.000 1.010 345 A HN 0.440 nan 8.150 nan 0.000 0.493 346 D N 2.189 122.650 120.400 0.103 0.000 2.374 346 D HA 0.337 4.977 4.640 -0.000 0.000 0.240 346 D C 1.341 177.737 176.300 0.160 0.000 1.229 346 D CA 0.647 54.711 54.000 0.106 0.000 0.895 346 D CB 0.712 41.582 40.800 0.117 0.000 1.046 346 D HN 0.452 nan 8.370 nan 0.000 0.498 347 G N 3.614 112.478 108.800 0.107 0.000 2.443 347 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 347 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 347 G C 1.654 176.688 174.900 0.224 0.000 1.131 347 G CA 0.210 45.404 45.100 0.157 0.000 0.775 347 G HN 0.609 nan 8.290 nan 0.000 0.547 348 I N 1.764 122.429 120.570 0.159 0.000 2.179 348 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 348 I C 3.167 179.373 176.117 0.148 0.000 1.088 348 I CA 1.659 63.044 61.300 0.142 0.000 1.357 348 I CB -0.201 37.859 38.000 0.101 0.000 1.051 348 I HN 0.343 nan 8.210 nan 0.000 0.409 349 S N 0.596 116.389 115.700 0.154 0.000 2.406 349 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 349 S C 2.020 176.717 174.600 0.161 0.000 1.020 349 S CA 0.498 58.776 58.200 0.131 0.000 0.965 349 S CB -0.936 62.334 63.200 0.116 0.000 0.798 349 S HN 0.450 nan 8.310 nan 0.000 0.488 350 F N 3.114 123.127 119.950 0.105 0.000 2.134 350 F HA 0.038 4.565 4.527 -0.000 0.000 0.299 350 F C 2.523 178.388 175.800 0.108 0.000 1.097 350 F CA 1.064 59.145 58.000 0.134 0.000 1.264 350 F CB -0.824 38.301 39.000 0.208 0.000 1.001 350 F HN 0.291 nan 8.300 nan 0.000 0.479 351 A N 0.489 123.462 122.820 0.255 0.000 1.902 351 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 351 A C 2.049 179.636 177.584 0.005 0.000 1.181 351 A CA 1.915 54.031 52.037 0.131 0.000 0.623 351 A CB -0.908 18.197 19.000 0.176 0.000 0.818 351 A HN 0.523 nan 8.150 nan 0.000 0.443 352 N N -0.363 118.350 118.700 0.022 0.000 2.188 352 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 352 N C 1.685 177.161 175.510 -0.056 0.000 1.018 352 N CA 1.421 54.469 53.050 -0.004 0.000 0.858 352 N CB -0.366 38.133 38.487 0.019 0.000 0.989 352 N HN 0.746 nan 8.380 nan 0.000 0.426 353 E N 0.592 120.731 120.200 -0.102 0.000 2.208 353 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 353 E C 1.866 178.333 176.600 -0.222 0.000 0.988 353 E CA 0.181 56.491 56.400 -0.150 0.000 0.828 353 E CB 0.125 29.727 29.700 -0.164 0.000 0.763 353 E HN 0.213 nan 8.360 nan 0.000 0.478 354 L N 0.588 121.620 121.223 -0.319 0.000 2.156 354 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 354 L C 2.324 179.111 176.870 -0.139 0.000 1.095 354 L CA 0.886 55.548 54.840 -0.295 0.000 0.770 354 L CB -0.136 41.711 42.059 -0.353 0.000 0.914 354 L HN 0.331 nan 8.230 nan 0.000 0.439 355 M N -0.735 118.807 119.600 -0.096 0.000 2.287 355 M HA -0.161 4.319 4.480 -0.000 0.000 0.266 355 M C 1.800 178.072 176.300 -0.045 0.000 1.079 355 M CA 1.419 56.690 55.300 -0.050 0.000 1.146 355 M CB 0.071 32.657 32.600 -0.023 0.000 1.374 355 M HN 0.179 nan 8.290 nan 0.000 0.435 356 E N -0.052 120.117 120.200 -0.053 0.000 2.107 356 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 356 E C 1.924 178.497 176.600 -0.045 0.000 0.982 356 E CA 0.970 57.345 56.400 -0.041 0.000 0.809 356 E CB 0.183 29.860 29.700 -0.038 0.000 0.756 356 E HN 0.556 nan 8.360 nan 0.000 0.459 357 R N -0.116 120.346 120.500 -0.063 0.000 2.175 357 R HA 0.063 4.403 4.340 -0.000 0.000 0.202 357 R C 1.438 177.708 176.300 -0.051 0.000 1.018 357 R CA 0.531 56.597 56.100 -0.057 0.000 1.029 357 R CB 0.453 30.711 30.300 -0.070 0.000 0.959 357 R HN -0.022 nan 8.270 nan 0.000 0.480 358 E N -0.802 119.362 120.200 -0.061 0.000 2.514 358 E HA 0.161 4.511 4.350 -0.000 0.000 0.215 358 E C 0.840 177.417 176.600 -0.037 0.000 0.946 358 E CA 0.582 56.953 56.400 -0.047 0.000 1.038 358 E CB 1.416 31.084 29.700 -0.055 0.000 1.069 358 E HN 0.386 nan 8.360 nan 0.000 0.503 359 G N 1.446 110.224 108.800 -0.037 0.000 2.136 359 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 359 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 359 G C 0.254 175.142 174.900 -0.021 0.000 0.989 359 G CA 0.485 45.570 45.100 -0.025 0.000 0.682 359 G HN 0.140 nan 8.290 nan 0.000 0.522 360 V N 0.422 120.319 119.914 -0.027 0.000 2.483 360 V HA 0.657 4.777 4.120 -0.000 0.000 0.295 360 V C 0.498 176.588 176.094 -0.006 0.000 1.035 360 V CA -0.863 61.427 62.300 -0.017 0.000 0.896 360 V CB 2.032 33.840 31.823 -0.025 0.000 0.986 360 V HN 0.278 nan 8.190 nan 0.000 0.447 361 V N 5.499 125.420 119.914 0.011 0.000 2.370 361 V HA 0.622 4.742 4.120 -0.000 0.000 0.283 361 V C -0.145 175.977 176.094 0.047 0.000 1.023 361 V CA -0.459 61.858 62.300 0.028 0.000 0.857 361 V CB 1.488 33.331 31.823 0.033 0.000 0.985 361 V HN 0.754 nan 8.190 nan 0.000 0.443 362 V N 2.946 122.897 119.914 0.063 0.000 2.962 362 V HA 0.749 4.869 4.120 -0.000 0.000 0.313 362 V C -0.467 175.685 176.094 0.098 0.000 1.099 362 V CA -0.912 61.437 62.300 0.082 0.000 0.971 362 V CB 2.056 33.939 31.823 0.100 0.000 1.028 362 V HN 0.411 nan 8.190 nan 0.000 0.430 363 V N 4.437 124.406 119.914 0.092 0.000 2.406 363 V HA 0.298 4.418 4.120 -0.000 0.000 0.272 363 V C -1.263 174.899 176.094 0.112 0.000 1.043 363 V CA -1.196 61.173 62.300 0.116 0.000 0.915 363 V CB 0.989 32.890 31.823 0.130 0.000 0.988 363 V HN 0.851 nan 8.190 nan 0.000 0.466 364 P HA -0.205 nan 4.420 nan 0.000 0.216 364 P C 1.301 178.680 177.300 0.132 0.000 1.167 364 P CA 2.630 65.824 63.100 0.157 0.000 0.933 364 P CB 0.122 31.923 31.700 0.168 0.000 0.793 365 G N -2.401 106.551 108.800 0.253 0.000 2.397 365 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.211 365 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.211 365 G C 1.236 176.439 174.900 0.506 0.000 1.077 365 G CA 0.645 45.870 45.100 0.207 0.000 0.649 365 G HN 0.414 nan 8.290 nan 0.000 0.511 366 K N 2.091 122.666 120.400 0.291 0.000 2.089 366 K HA -0.043 4.277 4.320 -0.000 0.000 0.210 366 K C -0.252 176.553 176.600 0.342 0.000 1.048 366 K CA 2.398 58.813 56.287 0.215 0.000 0.926 366 K CB -1.102 31.444 32.500 0.076 0.000 0.714 366 K HN 0.456 nan 8.250 nan 0.000 0.448 367 P HA -0.056 nan 4.420 nan 0.000 0.228 367 P C 0.218 177.545 177.300 0.046 0.000 1.151 367 P CA 0.890 64.062 63.100 0.120 0.000 0.770 367 P CB -0.005 31.697 31.700 0.004 0.000 0.786 368 F N -3.307 116.715 119.950 0.122 0.000 2.789 368 F HA 0.136 4.663 4.527 -0.000 0.000 0.300 368 F C 1.006 176.774 175.800 -0.052 0.000 1.132 368 F CA -0.180 57.824 58.000 0.008 0.000 1.404 368 F CB -0.784 38.180 39.000 -0.061 0.000 1.114 368 F HN -0.109 nan 8.300 nan 0.000 0.584 369 Y N 0.054 120.456 120.300 0.169 0.000 2.307 369 Y HA 0.196 4.746 4.550 -0.000 0.000 0.324 369 Y C 1.903 177.839 175.900 0.061 0.000 1.238 369 Y CA -0.162 58.004 58.100 0.110 0.000 1.280 369 Y CB 1.001 39.521 38.460 0.099 0.000 1.248 369 Y HN -0.077 nan 8.280 nan 0.000 0.508 370 T N -3.390 111.264 114.554 0.167 0.000 3.057 370 T HA 0.060 4.410 4.350 -0.000 0.000 0.254 370 T C 0.038 174.797 174.700 0.099 0.000 1.094 370 T CA 0.584 62.743 62.100 0.097 0.000 1.088 370 T CB -0.177 68.728 68.868 0.062 0.000 0.934 370 T HN 0.678 nan 8.240 nan 0.000 0.497 371 D N 0.580 121.064 120.400 0.140 0.000 2.831 371 D HA 0.322 4.962 4.640 -0.000 0.000 0.240 371 D C 0.662 177.015 176.300 0.089 0.000 1.183 371 D CA -0.684 53.373 54.000 0.095 0.000 1.079 371 D CB 0.082 40.930 40.800 0.081 0.000 1.262 371 D HN -0.059 nan 8.370 nan 0.000 0.634 372 E N -0.615 119.616 120.200 0.052 0.000 2.489 372 E HA 0.136 4.486 4.350 -0.000 0.000 0.193 372 E C 0.039 176.626 176.600 -0.022 0.000 1.057 372 E CA -0.056 56.355 56.400 0.019 0.000 0.866 372 E CB -0.055 29.651 29.700 0.009 0.000 0.916 372 E HN 0.429 nan 8.360 nan 0.000 0.500 373 S N -2.199 113.491 115.700 -0.018 0.000 2.681 373 S HA 0.593 5.063 4.470 -0.000 0.000 0.270 373 S C 1.259 175.545 174.600 -0.524 0.000 1.209 373 S CA -0.271 57.850 58.200 -0.132 0.000 0.988 373 S CB 1.344 64.535 63.200 -0.015 0.000 1.006 373 S HN 0.312 nan 8.310 nan 0.000 0.558 374 G N 0.330 108.693 108.800 -0.729 0.000 2.157 374 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 374 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 374 G C 0.645 175.229 174.900 -0.526 0.000 0.979 374 G CA 0.552 44.883 45.100 -1.283 0.000 0.650 374 G HN 0.831 nan 8.290 nan 0.000 0.529 375 K N 1.085 121.317 120.400 -0.280 0.000 2.113 375 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 375 K C 2.180 178.733 176.600 -0.078 0.000 1.047 375 K CA 1.870 58.082 56.287 -0.124 0.000 0.928 375 K CB -0.211 32.244 32.500 -0.075 0.000 0.716 375 K HN 0.575 nan 8.250 nan 0.000 0.446 376 N N 0.086 118.738 118.700 -0.080 0.000 2.322 376 N HA 0.022 4.762 4.740 -0.000 0.000 0.194 376 N C -0.226 175.244 175.510 -0.067 0.000 1.126 376 N CA 0.212 53.225 53.050 -0.062 0.000 0.845 376 N CB 0.045 38.495 38.487 -0.062 0.000 0.976 376 N HN 0.122 nan 8.380 nan 0.000 0.475 377 A N 0.501 123.263 122.820 -0.096 0.000 2.322 377 A HA 0.619 4.939 4.320 -0.000 0.000 0.269 377 A C -0.522 176.978 177.584 -0.140 0.000 1.094 377 A CA -0.283 51.609 52.037 -0.242 0.000 0.807 377 A CB 0.202 19.115 19.000 -0.145 0.000 1.047 377 A HN 0.243 nan 8.150 nan 0.000 0.487 378 I N 0.664 121.122 120.570 -0.186 0.000 2.586 378 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 378 I C 0.059 176.129 176.117 -0.078 0.000 1.147 378 I CA -0.031 61.258 61.300 -0.018 0.000 1.047 378 I CB 2.038 40.136 38.000 0.164 0.000 1.244 378 I HN 0.785 nan 8.210 nan 0.000 0.429 379 R N 6.505 126.931 120.500 -0.123 0.000 2.349 379 R HA 0.755 5.095 4.340 -0.000 0.000 0.299 379 R C -1.526 174.758 176.300 -0.026 0.000 1.027 379 R CA -0.449 55.543 56.100 -0.180 0.000 0.958 379 R CB 0.785 30.818 30.300 -0.445 0.000 1.047 379 R HN 0.602 nan 8.270 nan 0.000 0.468 380 L N 4.022 125.278 121.223 0.054 0.000 2.356 380 L HA 0.387 4.727 4.340 -0.000 0.000 0.277 380 L C -0.300 176.707 176.870 0.228 0.000 0.996 380 L CA -0.853 54.059 54.840 0.121 0.000 0.822 380 L CB 1.837 43.950 42.059 0.090 0.000 1.256 380 L HN 0.641 nan 8.230 nan 0.000 0.413 381 N N 2.759 121.577 118.700 0.197 0.000 2.430 381 N HA 0.289 5.029 4.740 -0.000 0.000 0.292 381 N C -0.253 175.267 175.510 0.017 0.000 1.051 381 N CA -0.408 52.679 53.050 0.062 0.000 0.917 381 N CB 1.699 40.242 38.487 0.093 0.000 1.164 381 N HN 0.611 nan 8.380 nan 0.000 0.484 382 F N 1.351 121.272 119.950 -0.048 0.000 2.746 382 F HA 0.302 4.829 4.527 -0.000 0.000 0.320 382 F C 1.642 177.451 175.800 0.014 0.000 1.097 382 F CA -0.460 57.531 58.000 -0.016 0.000 1.195 382 F CB -0.131 38.865 39.000 -0.006 0.000 1.056 382 F HN 0.362 nan 8.300 nan 0.000 0.562 383 S N -0.044 115.522 115.700 -0.223 0.000 2.470 383 S HA 0.060 4.529 4.470 -0.000 0.000 0.225 383 S C 1.996 176.697 174.600 0.169 0.000 1.006 383 S CA 0.259 58.462 58.200 0.005 0.000 0.934 383 S CB -0.276 62.660 63.200 -0.440 0.000 0.778 383 S HN 0.511 nan 8.310 nan 0.000 0.517 384 R N 1.790 122.326 120.500 0.060 0.000 2.103 384 R HA 0.249 4.589 4.340 -0.000 0.000 0.212 384 R C -1.716 174.633 176.300 0.083 0.000 1.107 384 R CA -0.338 55.813 56.100 0.085 0.000 1.025 384 R CB -0.714 29.614 30.300 0.047 0.000 0.929 384 R HN 0.385 nan 8.270 nan 0.000 0.456 385 P HA -0.000 nan 4.420 nan 0.000 0.270 385 P C -0.602 176.735 177.300 0.062 0.000 1.223 385 P CA 0.301 63.437 63.100 0.060 0.000 0.785 385 P CB 0.911 32.645 31.700 0.056 0.000 0.923 386 S N 0.554 116.277 115.700 0.038 0.000 2.617 386 S HA 0.187 4.657 4.470 -0.000 0.000 0.269 386 S C 1.168 175.779 174.600 0.018 0.000 1.292 386 S CA -0.621 57.594 58.200 0.025 0.000 1.010 386 S CB 0.807 64.015 63.200 0.013 0.000 0.944 386 S HN 0.343 nan 8.310 nan 0.000 0.536 387 K N 0.575 120.979 120.400 0.006 0.000 2.211 387 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 387 K C 1.796 178.389 176.600 -0.012 0.000 1.047 387 K CA 1.387 57.670 56.287 -0.006 0.000 0.935 387 K CB -0.085 32.404 32.500 -0.018 0.000 0.728 387 K HN 0.582 nan 8.250 nan 0.000 0.452 388 E N 0.970 121.165 120.200 -0.009 0.000 2.112 388 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 388 E C 1.807 178.399 176.600 -0.015 0.000 0.979 388 E CA 0.849 57.242 56.400 -0.012 0.000 0.814 388 E CB 0.205 29.900 29.700 -0.009 0.000 0.762 388 E HN 0.379 nan 8.360 nan 0.000 0.460 389 E N 0.629 120.824 120.200 -0.008 0.000 2.072 389 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 389 E C 2.265 178.853 176.600 -0.020 0.000 0.985 389 E CA 0.551 56.945 56.400 -0.009 0.000 0.801 389 E CB -0.060 29.643 29.700 0.004 0.000 0.750 389 E HN 0.206 nan 8.360 nan 0.000 0.452 390 I N 1.124 121.685 120.570 -0.014 0.000 2.068 390 I HA -0.283 3.887 4.170 -0.000 0.000 0.238 390 I C -0.708 175.369 176.117 -0.067 0.000 1.046 390 I CA 1.535 62.819 61.300 -0.027 0.000 1.306 390 I CB -1.519 36.472 38.000 -0.015 0.000 1.023 390 I HN 0.081 nan 8.210 nan 0.000 0.399 391 P HA -0.191 nan 4.420 nan 0.000 0.216 391 P C 1.844 179.065 177.300 -0.131 0.000 1.157 391 P CA 1.770 64.808 63.100 -0.103 0.000 0.880 391 P CB -0.078 31.584 31.700 -0.064 0.000 0.791 392 I N -1.346 119.172 120.570 -0.086 0.000 2.286 392 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 392 I C 2.477 178.541 176.117 -0.088 0.000 1.115 392 I CA 1.593 62.845 61.300 -0.079 0.000 1.392 392 I CB -1.324 36.649 38.000 -0.045 0.000 1.065 392 I HN 0.016 nan 8.210 nan 0.000 0.418 393 G N 2.450 111.203 108.800 -0.079 0.000 2.484 393 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 393 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 393 G C 1.609 176.443 174.900 -0.110 0.000 1.219 393 G CA 1.245 46.301 45.100 -0.073 0.000 0.791 393 G HN 0.537 nan 8.290 nan 0.000 0.550 394 I N -0.696 119.781 120.570 -0.155 0.000 2.614 394 I HA 0.183 4.353 4.170 -0.000 0.000 0.258 394 I C 2.234 178.202 176.117 -0.249 0.000 1.189 394 I CA 1.626 62.794 61.300 -0.219 0.000 1.462 394 I CB -0.150 37.690 38.000 -0.268 0.000 1.092 394 I HN 0.030 nan 8.210 nan 0.000 0.442 395 K N 1.972 122.206 120.400 -0.277 0.000 1.991 395 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 395 K C 2.038 178.555 176.600 -0.137 0.000 1.049 395 K CA 1.979 58.067 56.287 -0.330 0.000 0.932 395 K CB -0.226 32.120 32.500 -0.255 0.000 0.717 395 K HN 0.396 nan 8.250 nan 0.000 0.441 396 K N 0.568 120.915 120.400 -0.089 0.000 2.147 396 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 396 K C 1.926 178.522 176.600 -0.007 0.000 1.049 396 K CA 1.092 57.357 56.287 -0.037 0.000 0.936 396 K CB -0.275 32.200 32.500 -0.041 0.000 0.722 396 K HN 0.186 nan 8.250 nan 0.000 0.446 397 L N 1.000 122.207 121.223 -0.026 0.000 2.083 397 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 397 L C 2.152 179.112 176.870 0.148 0.000 1.083 397 L CA 1.861 56.725 54.840 0.040 0.000 0.752 397 L CB -0.814 41.194 42.059 -0.085 0.000 0.899 397 L HN 0.139 nan 8.230 nan 0.000 0.433 398 A N 0.104 122.959 122.820 0.059 0.000 1.968 398 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 398 A C 2.382 180.126 177.584 0.267 0.000 1.169 398 A CA 1.560 53.697 52.037 0.167 0.000 0.638 398 A CB -0.402 18.665 19.000 0.112 0.000 0.812 398 A HN 0.505 nan 8.150 nan 0.000 0.446 399 K N -0.303 120.197 120.400 0.167 0.000 2.026 399 K HA -0.030 4.290 4.320 -0.000 0.000 0.208 399 K C 1.885 178.580 176.600 0.157 0.000 1.048 399 K CA 1.386 57.758 56.287 0.142 0.000 0.929 399 K CB -0.277 32.267 32.500 0.073 0.000 0.713 399 K HN 0.438 nan 8.250 nan 0.000 0.439 400 L N 0.368 121.686 121.223 0.158 0.000 2.141 400 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 400 L C 2.162 179.235 176.870 0.339 0.000 1.094 400 L CA 1.107 56.026 54.840 0.130 0.000 0.763 400 L CB -0.315 41.710 42.059 -0.056 0.000 0.908 400 L HN 0.326 nan 8.230 nan 0.000 0.437 401 Y N 1.011 121.570 120.300 0.430 0.000 2.034 401 Y HA -0.326 4.224 4.550 -0.000 0.000 0.269 401 Y C 2.580 178.710 175.900 0.383 0.000 1.125 401 Y CA 1.781 60.229 58.100 0.579 0.000 1.097 401 Y CB -0.116 38.634 38.460 0.482 0.000 0.978 401 Y HN -0.079 nan 8.280 nan 0.000 0.480 402 K N 0.798 121.471 120.400 0.455 0.000 2.280 402 K HA -0.215 4.105 4.320 -0.000 0.000 0.202 402 K C 1.993 178.633 176.600 0.066 0.000 1.047 402 K CA 1.494 57.932 56.287 0.252 0.000 0.942 402 K CB -0.345 32.328 32.500 0.288 0.000 0.739 402 K HN 0.577 nan 8.250 nan 0.000 0.457 403 E N 0.462 120.689 120.200 0.046 0.000 2.110 403 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 403 E C 1.472 177.979 176.600 -0.156 0.000 0.988 403 E CA 1.229 57.611 56.400 -0.030 0.000 0.804 403 E CB 0.327 30.020 29.700 -0.012 0.000 0.745 403 E HN 0.021 nan 8.360 nan 0.000 0.458 404 K N -0.893 119.293 120.400 -0.356 0.000 2.287 404 K HA 0.129 4.449 4.320 -0.000 0.000 0.199 404 K C 0.255 176.367 176.600 -0.813 0.000 1.061 404 K CA 0.446 56.313 56.287 -0.700 0.000 0.976 404 K CB 0.451 32.278 32.500 -1.122 0.000 0.898 404 K HN 0.030 nan 8.250 nan 0.000 0.492 405 F N 0.000 119.838 119.950 -0.187 0.000 2.286 405 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 405 F CA 0.000 57.849 58.000 -0.252 0.000 1.383 405 F CB 0.000 38.683 39.000 -0.529 0.000 1.145 405 F HN 0.000 nan 8.300 nan 0.000 0.574