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 3o6w_1_B DATA FIRST_RESID 20 DATA SEQUENCE PANLMEQIHG LETLFTVSSE KMRSIVKHFI SELDKGLSKK GGNIPMIPGW DATA SEQUENCE VVEYPTGKET GDFLALDLGG TNLRVVLVKL GGNHDFDTTQ NKYRLPDHLR DATA SEQUENCE TGTSEQLWSF IAKCLKEFVD EWYPDGVSEP LPLGFTFSYP ASQKKINSGV DATA SEQUENCE LQRWTKGFDI EGVEGHDVVP MLQEQIEKLN IPINVVALIN DTTGTLVASL DATA SEQUENCE YTDPQTKMGI IIGTGVNGAY YDVVSGIEKL EGLLPEDIGP DSPMAINCEY DATA SEQUENCE GSFDNEHLVL PRTKYDVIID EESPRPGQQA FEKMTSGYYL GEIMRLVLLD DATA SEQUENCE LYDSGFIFKD QDISKLKEAY VMDTSYPSKI EDDPFENLED TDDLFKTNLN DATA SEQUENCE IETTVVERKL IRKLAELVGT RAARLTVCGV SAICDKRGYK TAHIAADGSV DATA SEQUENCE FNRYPGYKEK AAQALKDIYN WDVEKMEDHP IQLVAAEDGS GVGAAIIACL DATA SEQUENCE TQKRLAAGKS VGIKGE 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 20 P HA 0.000 nan 4.420 nan 0.000 0.216 20 P C 0.000 177.284 177.300 -0.027 0.000 1.155 20 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 20 P CB 0.000 31.697 31.700 -0.004 0.000 0.726 21 A N 0.485 123.298 122.820 -0.012 0.000 1.968 21 A HA -0.110 4.206 4.320 -0.005 0.000 0.217 21 A C 1.482 179.053 177.584 -0.021 0.000 1.169 21 A CA 2.024 54.052 52.037 -0.014 0.000 0.638 21 A CB -0.881 18.123 19.000 0.007 0.000 0.812 21 A HN 0.664 nan 8.150 nan 0.000 0.446 22 N N -0.044 118.658 118.700 0.005 0.000 2.120 22 N HA -0.113 4.624 4.740 -0.005 0.000 0.188 22 N C 1.260 176.742 175.510 -0.047 0.000 1.024 22 N CA 1.284 54.357 53.050 0.038 0.000 0.852 22 N CB -0.315 38.237 38.487 0.108 0.000 1.003 22 N HN 0.339 nan 8.380 nan 0.000 0.424 23 L N -0.164 121.017 121.223 -0.071 0.000 2.209 23 L HA 0.153 4.490 4.340 -0.005 0.000 0.207 23 L C 1.887 178.634 176.870 -0.204 0.000 1.094 23 L CA 0.906 55.657 54.840 -0.149 0.000 0.790 23 L CB -0.397 41.603 42.059 -0.098 0.000 0.932 23 L HN 0.140 nan 8.230 nan 0.000 0.447 24 M N -0.670 118.816 119.600 -0.190 0.000 2.108 24 M HA -0.249 4.228 4.480 -0.005 0.000 0.261 24 M C 2.208 178.241 176.300 -0.446 0.000 1.066 24 M CA 1.437 56.549 55.300 -0.313 0.000 1.107 24 M CB -0.926 31.537 32.600 -0.228 0.000 1.356 24 M HN 0.329 nan 8.290 nan 0.000 0.406 25 E N -0.627 119.435 120.200 -0.230 0.000 2.106 25 E HA -0.209 4.138 4.350 -0.005 0.000 0.192 25 E C 1.942 178.441 176.600 -0.167 0.000 0.984 25 E CA 0.914 57.243 56.400 -0.120 0.000 0.806 25 E CB 0.250 29.917 29.700 -0.055 0.000 0.750 25 E HN 0.412 nan 8.360 nan 0.000 0.458 26 Q N 0.201 119.829 119.800 -0.287 0.000 2.119 26 Q HA -0.106 4.231 4.340 -0.005 0.000 0.201 26 Q C 2.288 178.174 176.000 -0.189 0.000 0.972 26 Q CA 0.899 56.511 55.803 -0.319 0.000 0.847 26 Q CB -0.196 28.211 28.738 -0.551 0.000 0.903 26 Q HN 0.440 nan 8.270 nan 0.000 0.433 27 I N 0.492 120.937 120.570 -0.208 0.000 2.226 27 I HA -0.293 3.874 4.170 -0.005 0.000 0.245 27 I C 2.190 178.277 176.117 -0.049 0.000 1.100 27 I CA 1.081 62.294 61.300 -0.145 0.000 1.374 27 I CB -0.314 37.571 38.000 -0.191 0.000 1.057 27 I HN 0.239 nan 8.210 nan 0.000 0.413 28 H N 0.466 119.513 119.070 -0.038 0.000 2.352 28 H HA -0.110 4.443 4.556 -0.005 0.000 0.299 28 H C 2.337 177.653 175.328 -0.019 0.000 1.097 28 H CA 1.430 57.464 56.048 -0.024 0.000 1.311 28 H CB -0.979 28.765 29.762 -0.030 0.000 1.377 28 H HN 0.364 nan 8.280 nan 0.000 0.504 29 G N 0.758 109.606 108.800 0.080 0.000 2.418 29 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.217 29 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.217 29 G C 1.933 176.862 174.900 0.049 0.000 1.158 29 G CA 0.725 45.846 45.100 0.033 0.000 0.771 29 G HN 0.311 nan 8.290 nan 0.000 0.545 30 L N 0.125 121.394 121.223 0.076 0.000 2.083 30 L HA -0.078 4.259 4.340 -0.005 0.000 0.209 30 L C 2.882 179.882 176.870 0.217 0.000 1.083 30 L CA 1.313 56.266 54.840 0.188 0.000 0.752 30 L CB -0.483 41.681 42.059 0.175 0.000 0.899 30 L HN 0.309 nan 8.230 nan 0.000 0.433 31 E N -0.383 119.904 120.200 0.145 0.000 2.077 31 E HA -0.181 4.166 4.350 -0.005 0.000 0.193 31 E C 2.120 178.768 176.600 0.081 0.000 0.989 31 E CA 1.733 58.212 56.400 0.131 0.000 0.800 31 E CB -0.165 29.609 29.700 0.124 0.000 0.746 31 E HN 0.440 nan 8.360 nan 0.000 0.452 32 T N 1.529 116.109 114.554 0.043 0.000 2.746 32 T HA -0.124 4.222 4.350 -0.005 0.000 0.267 32 T C 1.922 176.582 174.700 -0.068 0.000 1.039 32 T CA 0.867 62.962 62.100 -0.010 0.000 1.142 32 T CB -0.138 68.720 68.868 -0.017 0.000 0.866 32 T HN 0.084 nan 8.240 nan 0.000 0.444 33 L N -0.904 120.239 121.223 -0.134 0.000 2.156 33 L HA 0.087 4.424 4.340 -0.005 0.000 0.208 33 L C 1.443 177.989 176.870 -0.541 0.000 1.095 33 L CA 1.127 55.724 54.840 -0.405 0.000 0.770 33 L CB -0.135 41.542 42.059 -0.636 0.000 0.914 33 L HN 0.240 nan 8.230 nan 0.000 0.439 34 F N -1.895 118.083 119.950 0.046 0.000 2.706 34 F HA 0.164 4.688 4.527 -0.005 0.000 0.313 34 F C 0.851 176.672 175.800 0.034 0.000 1.096 34 F CA -0.355 57.671 58.000 0.043 0.000 1.219 34 F CB 0.138 39.160 39.000 0.038 0.000 1.051 34 F HN -0.261 nan 8.300 nan 0.000 0.568 35 T N 1.695 116.333 114.554 0.141 0.000 2.817 35 T HA 0.395 4.742 4.350 -0.005 0.000 0.293 35 T C -0.418 174.319 174.700 0.062 0.000 0.964 35 T CA -0.249 61.908 62.100 0.096 0.000 1.085 35 T CB 1.887 70.794 68.868 0.065 0.000 0.921 35 T HN -0.107 nan 8.240 nan 0.000 0.502 36 V N 4.915 124.865 119.914 0.061 0.000 2.357 36 V HA 0.560 4.677 4.120 -0.005 0.000 0.284 36 V C 0.376 176.482 176.094 0.020 0.000 1.018 36 V CA -0.639 61.686 62.300 0.042 0.000 0.841 36 V CB 1.063 32.922 31.823 0.060 0.000 0.991 36 V HN 1.064 nan 8.190 nan 0.000 0.437 37 S N 4.862 120.565 115.700 0.006 0.000 2.600 37 S HA 0.204 4.671 4.470 -0.005 0.000 0.265 37 S C 1.252 175.836 174.600 -0.025 0.000 1.325 37 S CA 0.246 58.440 58.200 -0.010 0.000 1.002 37 S CB 1.363 64.554 63.200 -0.015 0.000 0.921 37 S HN 0.908 nan 8.310 nan 0.000 0.554 38 S N 1.443 117.117 115.700 -0.042 0.000 2.382 38 S HA -0.102 4.365 4.470 -0.005 0.000 0.228 38 S C 1.638 176.190 174.600 -0.079 0.000 1.027 38 S CA 1.451 59.607 58.200 -0.074 0.000 0.991 38 S CB -0.635 62.511 63.200 -0.090 0.000 0.823 38 S HN 0.823 nan 8.310 nan 0.000 0.469 39 E N 1.711 121.876 120.200 -0.058 0.000 2.058 39 E HA -0.127 4.220 4.350 -0.005 0.000 0.194 39 E C 2.006 178.581 176.600 -0.041 0.000 0.997 39 E CA 1.150 57.518 56.400 -0.052 0.000 0.801 39 E CB -0.261 29.416 29.700 -0.039 0.000 0.746 39 E HN 0.311 nan 8.360 nan 0.000 0.450 40 K N 0.509 120.893 120.400 -0.027 0.000 2.057 40 K HA -0.035 4.282 4.320 -0.005 0.000 0.207 40 K C 1.935 178.534 176.600 -0.001 0.000 1.049 40 K CA 1.412 57.694 56.287 -0.008 0.000 0.931 40 K CB -0.238 32.264 32.500 0.004 0.000 0.714 40 K HN 0.101 nan 8.250 nan 0.000 0.440 41 M N 0.056 119.645 119.600 -0.017 0.000 2.082 41 M HA -0.209 4.268 4.480 -0.005 0.000 0.258 41 M C 2.246 178.511 176.300 -0.058 0.000 1.069 41 M CA 1.854 57.138 55.300 -0.026 0.000 1.102 41 M CB -0.333 32.229 32.600 -0.063 0.000 1.336 41 M HN 0.118 nan 8.290 nan 0.000 0.404 42 R N -0.705 119.738 120.500 -0.094 0.000 2.096 42 R HA -0.118 4.219 4.340 -0.005 0.000 0.235 42 R C 2.522 178.790 176.300 -0.053 0.000 1.127 42 R CA 1.645 57.676 56.100 -0.115 0.000 0.968 42 R CB -0.477 29.742 30.300 -0.134 0.000 0.861 42 R HN 0.330 nan 8.270 nan 0.000 0.440 43 S N 0.879 116.567 115.700 -0.020 0.000 2.356 43 S HA -0.096 4.370 4.470 -0.005 0.000 0.223 43 S C 1.955 176.598 174.600 0.072 0.000 1.032 43 S CA 0.989 59.198 58.200 0.015 0.000 1.005 43 S CB -0.100 63.104 63.200 0.007 0.000 0.867 43 S HN 0.201 nan 8.310 nan 0.000 0.449 44 I N 1.105 121.730 120.570 0.092 0.000 2.208 44 I HA -0.147 4.019 4.170 -0.005 0.000 0.245 44 I C 2.303 178.528 176.117 0.180 0.000 1.097 44 I CA 1.002 62.419 61.300 0.195 0.000 1.363 44 I CB -0.465 37.662 38.000 0.212 0.000 1.051 44 I HN 0.197 nan 8.210 nan 0.000 0.413 45 V N 0.925 120.870 119.914 0.052 0.000 2.287 45 V HA -0.316 3.801 4.120 -0.005 0.000 0.248 45 V C 2.475 178.570 176.094 0.002 0.000 1.053 45 V CA 1.879 64.159 62.300 -0.034 0.000 1.027 45 V CB -0.698 31.046 31.823 -0.131 0.000 0.646 45 V HN 0.391 nan 8.190 nan 0.000 0.447 46 K N -0.814 119.602 120.400 0.026 0.000 2.032 46 K HA -0.249 4.068 4.320 -0.005 0.000 0.209 46 K C 2.243 178.903 176.600 0.101 0.000 1.048 46 K CA 2.000 58.311 56.287 0.039 0.000 0.927 46 K CB -0.358 32.164 32.500 0.036 0.000 0.712 46 K HN 0.534 nan 8.250 nan 0.000 0.441 47 H N -0.046 119.066 119.070 0.071 0.000 2.357 47 H HA -0.076 4.477 4.556 -0.005 0.000 0.301 47 H C 1.742 177.161 175.328 0.151 0.000 1.082 47 H CA 1.545 57.666 56.048 0.122 0.000 1.342 47 H CB -0.288 29.574 29.762 0.166 0.000 1.389 47 H HN 0.171 nan 8.280 nan 0.000 0.511 48 F N -0.007 119.835 119.950 -0.180 0.000 2.134 48 F HA -0.179 4.345 4.527 -0.005 0.000 0.299 48 F C 2.219 177.775 175.800 -0.407 0.000 1.097 48 F CA 1.161 58.764 58.000 -0.662 0.000 1.264 48 F CB -0.082 38.364 39.000 -0.923 0.000 1.001 48 F HN 0.146 nan 8.300 nan 0.000 0.479 49 I N -0.224 120.338 120.570 -0.013 0.000 2.226 49 I HA -0.355 3.812 4.170 -0.005 0.000 0.245 49 I C 2.641 178.729 176.117 -0.049 0.000 1.100 49 I CA 1.549 62.817 61.300 -0.054 0.000 1.374 49 I CB -0.696 37.264 38.000 -0.067 0.000 1.057 49 I HN 0.226 nan 8.210 nan 0.000 0.413 50 S N 0.402 116.065 115.700 -0.062 0.000 2.399 50 S HA -0.184 4.283 4.470 -0.005 0.000 0.231 50 S C 1.840 176.381 174.600 -0.099 0.000 1.022 50 S CA 1.085 59.243 58.200 -0.071 0.000 0.983 50 S CB -0.302 62.864 63.200 -0.057 0.000 0.803 50 S HN 0.404 nan 8.310 nan 0.000 0.480 51 E N 1.370 121.478 120.200 -0.154 0.000 2.216 51 E HA 0.127 4.474 4.350 -0.005 0.000 0.192 51 E C 2.139 178.724 176.600 -0.025 0.000 0.988 51 E CA 0.528 56.861 56.400 -0.112 0.000 0.834 51 E CB -0.387 29.245 29.700 -0.113 0.000 0.772 51 E HN 0.572 nan 8.360 nan 0.000 0.479 52 L N 1.212 122.440 121.223 0.008 0.000 2.017 52 L HA -0.209 4.128 4.340 -0.005 0.000 0.208 52 L C 2.086 178.978 176.870 0.036 0.000 1.073 52 L CA 1.216 56.089 54.840 0.054 0.000 0.745 52 L CB -0.478 41.604 42.059 0.038 0.000 0.894 52 L HN -0.016 nan 8.230 nan 0.000 0.432 53 D N 0.266 120.670 120.400 0.007 0.000 2.104 53 D HA -0.228 4.408 4.640 -0.005 0.000 0.194 53 D C 2.110 178.413 176.300 0.005 0.000 0.994 53 D CA 1.364 55.367 54.000 0.006 0.000 0.830 53 D CB -0.116 40.680 40.800 -0.007 0.000 0.959 53 D HN 0.228 nan 8.370 nan 0.000 0.452 54 K N 0.376 120.773 120.400 -0.006 0.000 2.057 54 K HA -0.100 4.217 4.320 -0.005 0.000 0.207 54 K C 2.102 178.705 176.600 0.004 0.000 1.049 54 K CA 1.506 57.790 56.287 -0.006 0.000 0.931 54 K CB -0.331 32.157 32.500 -0.019 0.000 0.714 54 K HN 0.130 nan 8.250 nan 0.000 0.440 55 G N 0.789 109.597 108.800 0.014 0.000 2.470 55 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.220 55 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.220 55 G C 1.307 176.216 174.900 0.016 0.000 1.121 55 G CA 0.491 45.604 45.100 0.022 0.000 0.766 55 G HN 0.237 nan 8.290 nan 0.000 0.553 56 L N 1.433 122.666 121.223 0.017 0.000 2.509 56 L HA 0.148 4.485 4.340 -0.005 0.000 0.222 56 L C 1.794 178.665 176.870 0.002 0.000 1.123 56 L CA 0.021 54.865 54.840 0.006 0.000 0.856 56 L CB -0.135 41.933 42.059 0.015 0.000 0.985 56 L HN 0.267 nan 8.230 nan 0.000 0.456 57 S N -0.794 114.908 115.700 0.005 0.000 2.603 57 S HA 0.101 4.568 4.470 -0.005 0.000 0.268 57 S C 1.082 175.685 174.600 0.005 0.000 1.317 57 S CA -0.600 57.603 58.200 0.004 0.000 1.012 57 S CB 1.256 64.458 63.200 0.004 0.000 0.926 57 S HN 0.096 nan 8.310 nan 0.000 0.539 58 K N 1.062 121.465 120.400 0.006 0.000 2.074 58 K HA -0.139 4.178 4.320 -0.005 0.000 0.209 58 K C 2.150 178.754 176.600 0.007 0.000 1.048 58 K CA 1.718 58.009 56.287 0.008 0.000 0.926 58 K CB -0.239 32.266 32.500 0.008 0.000 0.713 58 K HN 0.585 nan 8.250 nan 0.000 0.444 59 K N -0.042 120.360 120.400 0.005 0.000 2.148 59 K HA -0.054 4.262 4.320 -0.005 0.000 0.204 59 K C 0.807 177.409 176.600 0.003 0.000 1.050 59 K CA 0.681 56.970 56.287 0.003 0.000 0.942 59 K CB -0.038 32.463 32.500 0.002 0.000 0.724 59 K HN 0.377 nan 8.250 nan 0.000 0.446 60 G N -0.430 108.372 108.800 0.003 0.000 2.828 60 G HA2 -0.072 3.885 3.960 -0.005 0.000 0.463 60 G HA3 -0.072 3.885 3.960 -0.005 0.000 0.463 60 G C -0.102 174.799 174.900 0.001 0.000 1.394 60 G CA -0.601 44.501 45.100 0.004 0.000 0.862 60 G HN 0.535 nan 8.290 nan 0.000 0.540 61 G N -1.821 106.980 108.800 0.002 0.000 2.682 61 G HA2 0.587 4.544 3.960 -0.005 0.000 0.303 61 G HA3 0.587 4.544 3.960 -0.005 0.000 0.303 61 G C 0.479 175.378 174.900 -0.001 0.000 1.341 61 G CA 0.418 45.515 45.100 -0.005 0.000 0.784 61 G HN 0.866 nan 8.290 nan 0.000 0.497 62 N N -1.127 117.566 118.700 -0.012 0.000 2.381 62 N HA 0.019 4.756 4.740 -0.005 0.000 0.182 62 N C 0.515 176.041 175.510 0.027 0.000 1.025 62 N CA 0.447 53.492 53.050 -0.009 0.000 0.888 62 N CB 0.017 38.475 38.487 -0.049 0.000 0.965 62 N HN 0.310 nan 8.380 nan 0.000 0.438 63 I N 1.345 121.941 120.570 0.043 0.000 2.337 63 I HA 0.113 4.280 4.170 -0.005 0.000 0.291 63 I C -1.654 174.502 176.117 0.066 0.000 1.046 63 I CA -1.873 59.478 61.300 0.086 0.000 1.324 63 I CB 1.516 39.583 38.000 0.113 0.000 1.409 63 I HN -0.175 nan 8.210 nan 0.000 0.494 64 P HA -0.101 nan 4.420 nan 0.000 0.216 64 P C 0.476 177.790 177.300 0.023 0.000 1.150 64 P CA 0.956 64.077 63.100 0.035 0.000 0.837 64 P CB 0.082 31.800 31.700 0.030 0.000 0.786 65 M N -2.146 117.475 119.600 0.035 0.000 2.350 65 M HA -0.176 4.301 4.480 -0.005 0.000 0.190 65 M C -0.589 175.682 176.300 -0.048 0.000 0.710 65 M CA 0.646 55.957 55.300 0.018 0.000 0.495 65 M CB -2.641 29.984 32.600 0.041 0.000 1.136 65 M HN 0.033 nan 8.290 nan 0.000 0.901 66 I N 2.243 122.772 120.570 -0.068 0.000 2.396 66 I HA 0.180 4.347 4.170 -0.005 0.000 0.289 66 I C -1.570 174.420 176.117 -0.211 0.000 1.056 66 I CA -1.688 59.552 61.300 -0.100 0.000 1.365 66 I CB 0.846 38.809 38.000 -0.061 0.000 1.407 66 I HN 0.107 nan 8.210 nan 0.000 0.509 67 P HA 0.025 nan 4.420 nan 0.000 0.267 67 P C 0.749 177.654 177.300 -0.657 0.000 1.205 67 P CA 0.151 62.884 63.100 -0.612 0.000 0.765 67 P CB 0.789 31.914 31.700 -0.958 0.000 0.828 68 G N 1.703 110.178 108.800 -0.541 0.000 3.088 68 G HA2 -0.024 3.933 3.960 -0.005 0.000 0.217 68 G HA3 -0.024 3.933 3.960 -0.005 0.000 0.217 68 G C -0.182 174.634 174.900 -0.140 0.000 1.159 68 G CA -0.328 44.599 45.100 -0.288 0.000 0.760 68 G HN 0.628 nan 8.290 nan 0.000 0.550 69 W N -1.275 119.973 121.300 -0.086 0.000 4.141 69 W HA -0.203 4.455 4.660 -0.004 0.000 0.336 69 W C -0.324 176.160 176.519 -0.059 0.000 1.258 69 W CA -0.353 56.953 57.345 -0.065 0.000 0.747 69 W CB -2.174 27.253 29.460 -0.055 0.000 2.338 69 W HN 0.047 nan 8.180 nan 0.000 1.410 70 V N 1.547 121.475 119.914 0.024 0.000 2.328 70 V HA 0.359 4.476 4.120 -0.005 0.000 0.278 70 V C 0.730 176.857 176.094 0.055 0.000 1.021 70 V CA -0.098 62.224 62.300 0.035 0.000 0.838 70 V CB 1.264 33.076 31.823 -0.018 0.000 0.999 70 V HN 0.051 nan 8.190 nan 0.000 0.447 71 V N 1.412 121.365 119.914 0.066 0.000 3.085 71 V HA 0.537 4.654 4.120 -0.005 0.000 0.345 71 V C 0.068 176.119 176.094 -0.071 0.000 1.397 71 V CA 0.032 62.341 62.300 0.014 0.000 1.165 71 V CB 0.011 31.855 31.823 0.035 0.000 1.153 71 V HN 0.866 nan 8.190 nan 0.000 0.495 72 E N 0.327 120.490 120.200 -0.061 0.000 2.366 72 E HA 0.494 4.840 4.350 -0.005 0.000 0.278 72 E C -1.764 174.713 176.600 -0.205 0.000 0.923 72 E CA -0.901 55.383 56.400 -0.193 0.000 0.761 72 E CB 2.172 31.833 29.700 -0.065 0.000 1.231 72 E HN 0.307 nan 8.360 nan 0.000 0.443 73 Y N 2.435 122.616 120.300 -0.197 0.000 2.319 73 Y HA 0.280 4.827 4.550 -0.005 0.000 0.328 73 Y C -1.790 174.083 175.900 -0.045 0.000 1.133 73 Y CA -2.305 55.642 58.100 -0.256 0.000 1.265 73 Y CB 0.170 38.429 38.460 -0.335 0.000 1.218 73 Y HN 0.303 nan 8.280 nan 0.000 0.508 74 P HA 0.030 nan 4.420 nan 0.000 0.271 74 P C 0.534 177.924 177.300 0.150 0.000 1.216 74 P CA -0.097 63.118 63.100 0.192 0.000 0.771 74 P CB 1.190 33.061 31.700 0.285 0.000 0.864 75 T N -1.359 113.253 114.554 0.096 0.000 3.057 75 T HA 0.223 4.570 4.350 -0.005 0.000 0.254 75 T C 1.391 176.012 174.700 -0.132 0.000 1.094 75 T CA 0.821 62.934 62.100 0.022 0.000 1.088 75 T CB -0.669 68.204 68.868 0.008 0.000 0.934 75 T HN 0.619 nan 8.240 nan 0.000 0.497 76 G N 1.706 110.360 108.800 -0.244 0.000 2.195 76 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.246 76 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.246 76 G C 0.810 175.402 174.900 -0.514 0.000 0.984 76 G CA 0.331 44.890 45.100 -0.901 0.000 0.633 76 G HN 0.561 nan 8.290 nan 0.000 0.525 77 K N 0.396 120.691 120.400 -0.175 0.000 2.404 77 K HA 0.227 4.544 4.320 -0.005 0.000 0.194 77 K C 0.386 177.034 176.600 0.079 0.000 1.023 77 K CA 0.040 56.297 56.287 -0.049 0.000 1.094 77 K CB 0.321 32.798 32.500 -0.039 0.000 0.841 77 K HN 0.440 nan 8.250 nan 0.000 0.523 78 E N 1.771 122.079 120.200 0.180 0.000 2.392 78 E HA 0.005 4.352 4.350 -0.005 0.000 0.264 78 E C 0.063 176.786 176.600 0.205 0.000 1.024 78 E CA 0.347 56.848 56.400 0.169 0.000 0.903 78 E CB 0.774 30.545 29.700 0.118 0.000 0.963 78 E HN 0.153 nan 8.360 nan 0.000 0.432 79 T N -0.643 114.028 114.554 0.195 0.000 2.906 79 T HA 0.856 5.203 4.350 -0.005 0.000 0.295 79 T C 0.228 175.122 174.700 0.323 0.000 1.075 79 T CA -0.404 61.830 62.100 0.223 0.000 1.005 79 T CB 1.967 70.927 68.868 0.152 0.000 1.136 79 T HN 0.783 nan 8.240 nan 0.000 0.498 80 G N 0.879 109.833 108.800 0.257 0.000 2.353 80 G HA2 0.285 4.242 3.960 -0.005 0.000 0.615 80 G HA3 0.285 4.242 3.960 -0.005 0.000 0.615 80 G C -2.187 172.628 174.900 -0.141 0.000 1.280 80 G CA -0.880 44.258 45.100 0.064 0.000 1.000 80 G HN 0.871 nan 8.290 nan 0.000 0.516 81 D N 0.108 120.157 120.400 -0.584 0.000 2.233 81 D HA 0.735 5.372 4.640 -0.005 0.000 0.240 81 D C -0.518 175.186 176.300 -0.993 0.000 1.074 81 D CA 0.328 54.046 54.000 -0.470 0.000 0.838 81 D CB 1.089 41.793 40.800 -0.161 0.000 1.124 81 D HN 0.313 nan 8.370 nan 0.000 0.475 82 F N 0.600 120.555 119.950 0.008 0.000 2.588 82 F HA 0.462 4.985 4.527 -0.006 0.000 0.310 82 F C -0.158 175.628 175.800 -0.024 0.000 1.082 82 F CA -0.966 57.020 58.000 -0.024 0.000 0.929 82 F CB 1.376 40.341 39.000 -0.058 0.000 1.254 82 F HN -0.034 nan 8.300 nan 0.000 0.455 83 L N 2.020 123.320 121.223 0.129 0.000 2.334 83 L HA 0.942 5.279 4.340 -0.005 0.000 0.270 83 L C -0.313 176.568 176.870 0.017 0.000 1.018 83 L CA -0.946 53.916 54.840 0.036 0.000 0.811 83 L CB 1.834 43.892 42.059 -0.002 0.000 1.271 83 L HN 0.796 nan 8.230 nan 0.000 0.443 84 A N 1.951 124.745 122.820 -0.044 0.000 2.454 84 A HA 0.837 5.154 4.320 -0.005 0.000 0.302 84 A C -1.713 175.842 177.584 -0.049 0.000 1.079 84 A CA -0.451 51.575 52.037 -0.018 0.000 0.731 84 A CB 1.969 20.963 19.000 -0.009 0.000 1.299 84 A HN 0.495 nan 8.150 nan 0.000 0.413 85 L N 0.944 122.182 121.223 0.025 0.000 2.386 85 L HA 0.802 5.139 4.340 -0.005 0.000 0.271 85 L C -1.572 175.439 176.870 0.234 0.000 0.993 85 L CA -0.129 54.725 54.840 0.025 0.000 0.819 85 L CB 2.108 44.056 42.059 -0.184 0.000 1.294 85 L HN 0.691 nan 8.230 nan 0.000 0.414 86 D N 4.043 124.576 120.400 0.221 0.000 2.542 86 D HA 0.329 4.966 4.640 -0.005 0.000 0.252 86 D C -1.703 174.782 176.300 0.308 0.000 1.222 86 D CA -0.226 53.935 54.000 0.268 0.000 0.895 86 D CB 1.356 42.244 40.800 0.147 0.000 1.207 86 D HN 0.499 nan 8.370 nan 0.000 0.558 87 L N 4.095 125.586 121.223 0.448 0.000 2.257 87 L HA 0.810 5.147 4.340 -0.005 0.000 0.290 87 L C 0.260 177.344 176.870 0.357 0.000 1.044 87 L CA 0.006 55.117 54.840 0.452 0.000 0.810 87 L CB 1.091 43.551 42.059 0.667 0.000 1.193 87 L HN 0.423 nan 8.230 nan 0.000 0.425 88 G N 2.516 111.499 108.800 0.305 0.000 2.705 88 G HA2 0.450 4.407 3.960 -0.005 0.000 0.299 88 G HA3 0.450 4.407 3.960 -0.005 0.000 0.299 88 G C 0.591 175.724 174.900 0.388 0.000 1.315 88 G CA -0.281 44.976 45.100 0.261 0.000 1.045 88 G HN 0.801 nan 8.290 nan 0.000 0.517 89 G N -1.798 107.176 108.800 0.292 0.000 2.484 89 G HA2 0.137 4.094 3.960 -0.005 0.000 0.218 89 G HA3 0.137 4.094 3.960 -0.005 0.000 0.218 89 G C 1.248 176.139 174.900 -0.015 0.000 1.130 89 G CA 1.957 47.167 45.100 0.184 0.000 0.784 89 G HN 1.041 nan 8.290 nan 0.000 0.543 90 T N -4.599 109.974 114.554 0.032 0.000 3.009 90 T HA 0.284 4.631 4.350 -0.005 0.000 0.267 90 T C 0.284 175.006 174.700 0.036 0.000 0.942 90 T CA -0.417 61.673 62.100 -0.016 0.000 0.883 90 T CB 0.686 69.540 68.868 -0.023 0.000 1.192 90 T HN 0.019 nan 8.240 nan 0.000 0.524 91 N N 0.522 119.282 118.700 0.100 0.000 2.494 91 N HA 0.548 5.285 4.740 -0.005 0.000 0.270 91 N C -2.114 173.521 175.510 0.208 0.000 1.285 91 N CA -0.686 52.452 53.050 0.146 0.000 0.812 91 N CB 2.475 41.031 38.487 0.114 0.000 1.557 91 N HN 0.115 nan 8.380 nan 0.000 0.487 92 L N 0.978 122.360 121.223 0.264 0.000 2.381 92 L HA 0.575 4.912 4.340 -0.005 0.000 0.268 92 L C -0.640 176.383 176.870 0.254 0.000 0.997 92 L CA -0.543 54.463 54.840 0.278 0.000 0.818 92 L CB 1.887 44.151 42.059 0.341 0.000 1.310 92 L HN 0.600 nan 8.230 nan 0.000 0.416 93 R N 3.200 123.810 120.500 0.183 0.000 2.445 93 R HA 0.685 5.022 4.340 -0.005 0.000 0.308 93 R C -1.653 174.682 176.300 0.057 0.000 0.961 93 R CA -0.499 55.670 56.100 0.116 0.000 0.862 93 R CB 1.801 32.148 30.300 0.077 0.000 1.144 93 R HN 0.496 nan 8.270 nan 0.000 0.447 94 V N 5.232 125.137 119.914 -0.014 0.000 2.417 94 V HA 0.454 4.571 4.120 -0.005 0.000 0.291 94 V C -0.534 175.290 176.094 -0.449 0.000 1.024 94 V CA -0.714 61.413 62.300 -0.287 0.000 0.861 94 V CB 1.754 33.300 31.823 -0.460 0.000 0.985 94 V HN 0.506 nan 8.190 nan 0.000 0.436 95 V N 5.739 125.423 119.914 -0.384 0.000 2.656 95 V HA 0.531 4.648 4.120 -0.005 0.000 0.307 95 V C -0.632 175.343 176.094 -0.199 0.000 1.051 95 V CA -0.681 61.479 62.300 -0.233 0.000 0.893 95 V CB 1.929 33.689 31.823 -0.104 0.000 0.999 95 V HN 0.683 nan 8.190 nan 0.000 0.426 96 L N 5.922 127.102 121.223 -0.071 0.000 2.322 96 L HA 0.799 5.136 4.340 -0.005 0.000 0.281 96 L C -0.706 176.155 176.870 -0.016 0.000 1.014 96 L CA -0.000 54.845 54.840 0.009 0.000 0.815 96 L CB 1.783 43.861 42.059 0.031 0.000 1.247 96 L HN 0.453 nan 8.230 nan 0.000 0.421 97 V N 5.048 124.979 119.914 0.028 0.000 2.487 97 V HA 0.475 4.592 4.120 -0.005 0.000 0.298 97 V C -0.405 175.759 176.094 0.117 0.000 1.028 97 V CA -0.800 61.524 62.300 0.039 0.000 0.860 97 V CB 1.655 33.437 31.823 -0.068 0.000 0.991 97 V HN 0.655 nan 8.190 nan 0.000 0.427 98 K N 5.719 126.206 120.400 0.145 0.000 2.334 98 K HA 0.560 4.877 4.320 -0.005 0.000 0.265 98 K C -0.946 175.786 176.600 0.220 0.000 1.039 98 K CA -0.439 55.943 56.287 0.159 0.000 0.920 98 K CB 1.485 34.061 32.500 0.126 0.000 1.160 98 K HN 0.530 nan 8.250 nan 0.000 0.451 99 L N 1.556 122.917 121.223 0.231 0.000 2.367 99 L HA 0.158 4.495 4.340 -0.005 0.000 0.275 99 L C 1.448 178.469 176.870 0.250 0.000 1.129 99 L CA -0.046 54.934 54.840 0.233 0.000 0.839 99 L CB 0.914 43.053 42.059 0.133 0.000 1.133 99 L HN 0.865 nan 8.230 nan 0.000 0.453 100 G N 0.789 109.764 108.800 0.292 0.000 2.986 100 G HA2 0.263 4.220 3.960 -0.005 0.000 0.213 100 G HA3 0.263 4.220 3.960 -0.005 0.000 0.213 100 G C 1.072 176.075 174.900 0.172 0.000 1.156 100 G CA 0.415 45.637 45.100 0.203 0.000 0.763 100 G HN 0.972 nan 8.290 nan 0.000 0.547 101 G N 0.063 108.997 108.800 0.223 0.000 2.155 101 G HA2 -0.308 3.648 3.960 -0.005 0.000 0.257 101 G HA3 -0.308 3.648 3.960 -0.005 0.000 0.257 101 G C 0.359 175.254 174.900 -0.009 0.000 0.983 101 G CA 0.538 45.707 45.100 0.115 0.000 0.676 101 G HN 0.663 nan 8.290 nan 0.000 0.528 102 N N 0.161 118.852 118.700 -0.014 0.000 2.672 102 N HA 0.285 5.022 4.740 -0.005 0.000 0.295 102 N C 0.761 176.226 175.510 -0.074 0.000 1.924 102 N CA -0.217 52.784 53.050 -0.082 0.000 0.851 102 N CB -0.258 38.239 38.487 0.016 0.000 1.281 102 N HN 0.354 nan 8.380 nan 0.000 0.494 103 H N -0.952 117.945 119.070 -0.287 0.000 2.899 103 H HA -0.181 4.372 4.556 -0.005 0.000 0.282 103 H C -0.934 174.328 175.328 -0.110 0.000 1.198 103 H CA 1.599 57.333 56.048 -0.523 0.000 1.140 103 H CB -1.546 28.039 29.762 -0.295 0.000 1.317 103 H HN 0.674 nan 8.280 nan 0.000 0.375 104 D N -0.146 120.390 120.400 0.227 0.000 2.523 104 D HA 0.656 5.293 4.640 -0.005 0.000 0.236 104 D C 0.166 176.728 176.300 0.437 0.000 1.094 104 D CA -0.870 53.271 54.000 0.235 0.000 0.942 104 D CB 1.606 42.454 40.800 0.080 0.000 1.447 104 D HN 0.081 nan 8.370 nan 0.000 0.479 105 F N -2.416 117.665 119.950 0.219 0.000 2.713 105 F HA 0.590 5.114 4.527 -0.005 0.000 0.311 105 F C -1.770 174.090 175.800 0.100 0.000 1.141 105 F CA -1.041 57.048 58.000 0.149 0.000 0.939 105 F CB 1.427 40.488 39.000 0.102 0.000 1.325 105 F HN 0.018 nan 8.300 nan 0.000 0.453 106 D N 0.798 121.386 120.400 0.313 0.000 2.248 106 D HA 0.560 5.196 4.640 -0.005 0.000 0.246 106 D C -1.017 175.464 176.300 0.301 0.000 1.027 106 D CA -0.056 54.072 54.000 0.214 0.000 0.853 106 D CB 2.325 43.199 40.800 0.125 0.000 1.243 106 D HN 0.762 nan 8.370 nan 0.000 0.462 107 T N -0.210 114.486 114.554 0.236 0.000 2.894 107 T HA 0.561 4.908 4.350 -0.005 0.000 0.309 107 T C -1.257 173.469 174.700 0.043 0.000 1.208 107 T CA -0.341 61.846 62.100 0.145 0.000 1.016 107 T CB 1.945 70.942 68.868 0.215 0.000 1.192 107 T HN 0.287 nan 8.240 nan 0.000 0.491 108 T N 1.781 116.300 114.554 -0.058 0.000 2.843 108 T HA 0.734 5.080 4.350 -0.005 0.000 0.302 108 T C -2.003 172.687 174.700 -0.016 0.000 1.232 108 T CA -0.518 61.538 62.100 -0.074 0.000 1.009 108 T CB 1.738 70.419 68.868 -0.310 0.000 1.254 108 T HN 0.899 nan 8.240 nan 0.000 0.504 109 Q N 1.772 121.620 119.800 0.081 0.000 2.534 109 Q HA 0.674 5.011 4.340 -0.005 0.000 0.290 109 Q C -1.866 174.252 176.000 0.196 0.000 0.991 109 Q CA -1.151 54.717 55.803 0.107 0.000 0.783 109 Q CB 1.547 30.303 28.738 0.030 0.000 1.470 109 Q HN 0.431 nan 8.270 nan 0.000 0.406 110 N N 0.459 119.252 118.700 0.155 0.000 2.225 110 N HA 0.440 5.177 4.740 -0.005 0.000 0.298 110 N C -1.710 173.702 175.510 -0.163 0.000 1.076 110 N CA -0.699 52.357 53.050 0.009 0.000 0.792 110 N CB 2.273 40.799 38.487 0.065 0.000 1.498 110 N HN 0.428 nan 8.380 nan 0.000 0.474 111 K N 1.490 121.748 120.400 -0.236 0.000 2.206 111 K HA 0.444 4.761 4.320 -0.005 0.000 0.264 111 K C -1.085 175.335 176.600 -0.301 0.000 0.967 111 K CA -0.479 55.721 56.287 -0.145 0.000 0.844 111 K CB 1.244 33.729 32.500 -0.025 0.000 1.099 111 K HN 0.432 nan 8.250 nan 0.000 0.441 112 Y N 1.163 121.539 120.300 0.127 0.000 2.341 112 Y HA 0.287 4.834 4.550 -0.005 0.000 0.338 112 Y C 0.364 176.378 175.900 0.190 0.000 0.965 112 Y CA -0.974 57.226 58.100 0.166 0.000 1.108 112 Y CB 1.374 39.937 38.460 0.171 0.000 1.180 112 Y HN 0.409 nan 8.280 nan 0.000 0.458 113 R N 3.106 123.774 120.500 0.281 0.000 2.522 113 R HA 0.153 4.490 4.340 -0.005 0.000 0.284 113 R C -1.090 175.310 176.300 0.167 0.000 1.032 113 R CA -0.404 55.800 56.100 0.174 0.000 1.049 113 R CB 0.244 30.611 30.300 0.111 0.000 0.956 113 R HN 0.720 nan 8.270 nan 0.000 0.422 114 L N 8.245 129.484 121.223 0.026 0.000 2.260 114 L HA 0.377 4.714 4.340 -0.005 0.000 0.289 114 L C -2.190 174.483 176.870 -0.329 0.000 1.057 114 L CA -2.016 52.694 54.840 -0.217 0.000 0.811 114 L CB 1.222 43.204 42.059 -0.127 0.000 1.184 114 L HN 0.595 nan 8.230 nan 0.000 0.429 115 P HA 0.038 nan 4.420 nan 0.000 0.264 115 P C -0.069 176.938 177.300 -0.488 0.000 1.193 115 P CA 0.021 62.859 63.100 -0.437 0.000 0.763 115 P CB 0.580 31.939 31.700 -0.568 0.000 0.810 116 D N 1.403 121.630 120.400 -0.289 0.000 2.133 116 D HA -0.219 4.418 4.640 -0.005 0.000 0.195 116 D C 1.687 177.807 176.300 -0.300 0.000 0.997 116 D CA 1.516 55.362 54.000 -0.258 0.000 0.840 116 D CB -0.544 40.172 40.800 -0.139 0.000 0.947 116 D HN 0.648 nan 8.370 nan 0.000 0.452 117 H N 0.268 119.218 119.070 -0.201 0.000 2.489 117 H HA -0.020 4.533 4.556 -0.005 0.000 0.293 117 H C 2.142 177.335 175.328 -0.226 0.000 1.066 117 H CA 0.480 56.417 56.048 -0.186 0.000 1.305 117 H CB -0.615 29.066 29.762 -0.135 0.000 1.386 117 H HN 0.202 nan 8.280 nan 0.000 0.551 118 L N 0.547 121.355 121.223 -0.692 0.000 2.275 118 L HA -0.046 4.291 4.340 -0.005 0.000 0.215 118 L C 2.749 179.370 176.870 -0.415 0.000 1.119 118 L CA 0.623 55.161 54.840 -0.503 0.000 0.790 118 L CB -0.246 41.449 42.059 -0.605 0.000 0.919 118 L HN 0.203 nan 8.230 nan 0.000 0.443 119 R N -0.391 119.768 120.500 -0.570 0.000 2.189 119 R HA -0.086 4.251 4.340 -0.005 0.000 0.223 119 R C 1.516 177.524 176.300 -0.487 0.000 1.092 119 R CA 1.644 57.240 56.100 -0.840 0.000 0.989 119 R CB -0.090 29.626 30.300 -0.973 0.000 0.876 119 R HN 0.421 nan 8.270 nan 0.000 0.457 120 T N -4.241 110.135 114.554 -0.297 0.000 3.170 120 T HA 0.276 4.623 4.350 -0.005 0.000 0.288 120 T C 0.691 175.333 174.700 -0.096 0.000 0.992 120 T CA -0.253 61.738 62.100 -0.181 0.000 0.909 120 T CB 1.059 69.843 68.868 -0.140 0.000 1.133 120 T HN 0.144 nan 8.240 nan 0.000 0.530 121 G N 1.844 110.593 108.800 -0.086 0.000 2.582 121 G HA2 0.523 4.480 3.960 -0.005 0.000 0.232 121 G HA3 0.523 4.480 3.960 -0.005 0.000 0.232 121 G C 0.199 175.094 174.900 -0.008 0.000 1.458 121 G CA -0.005 45.086 45.100 -0.015 0.000 1.062 121 G HN 0.568 nan 8.290 nan 0.000 0.566 122 T N -3.098 111.468 114.554 0.020 0.000 2.847 122 T HA 0.350 4.697 4.350 -0.005 0.000 0.279 122 T C 1.591 176.320 174.700 0.048 0.000 0.984 122 T CA 0.572 62.700 62.100 0.048 0.000 0.988 122 T CB 1.399 70.304 68.868 0.061 0.000 1.040 122 T HN 0.452 nan 8.240 nan 0.000 0.528 123 S N -0.395 115.376 115.700 0.118 0.000 2.356 123 S HA -0.179 4.287 4.470 -0.005 0.000 0.223 123 S C 1.890 176.598 174.600 0.181 0.000 1.032 123 S CA 1.823 60.132 58.200 0.182 0.000 1.005 123 S CB -0.775 62.627 63.200 0.337 0.000 0.867 123 S HN 0.873 nan 8.310 nan 0.000 0.449 124 E N 0.100 120.421 120.200 0.202 0.000 2.118 124 E HA -0.221 4.126 4.350 -0.005 0.000 0.195 124 E C 2.223 178.907 176.600 0.139 0.000 0.992 124 E CA 1.281 57.803 56.400 0.204 0.000 0.804 124 E CB -0.171 29.615 29.700 0.143 0.000 0.741 124 E HN 0.664 nan 8.360 nan 0.000 0.458 125 Q N 0.028 119.877 119.800 0.081 0.000 2.084 125 Q HA -0.185 4.151 4.340 -0.005 0.000 0.202 125 Q C 2.324 178.345 176.000 0.035 0.000 0.978 125 Q CA 1.298 57.144 55.803 0.072 0.000 0.844 125 Q CB -0.121 28.656 28.738 0.065 0.000 0.898 125 Q HN 0.272 nan 8.270 nan 0.000 0.426 126 L N -0.416 120.740 121.223 -0.112 0.000 1.994 126 L HA -0.142 4.195 4.340 -0.005 0.000 0.208 126 L C 1.666 178.429 176.870 -0.179 0.000 1.071 126 L CA 1.863 56.545 54.840 -0.263 0.000 0.745 126 L CB -0.568 41.118 42.059 -0.621 0.000 0.892 126 L HN 0.275 nan 8.230 nan 0.000 0.431 127 W N -0.374 121.013 121.300 0.146 0.000 2.402 127 W HA -0.122 4.536 4.660 -0.004 0.000 0.286 127 W C 2.881 179.442 176.519 0.071 0.000 1.221 127 W CA 1.052 58.457 57.345 0.099 0.000 1.257 127 W CB -0.787 28.714 29.460 0.068 0.000 1.120 127 W HN 0.373 nan 8.180 nan 0.000 0.551 128 S N -0.046 115.803 115.700 0.249 0.000 2.368 128 S HA -0.262 4.205 4.470 -0.005 0.000 0.224 128 S C 1.731 176.403 174.600 0.120 0.000 1.029 128 S CA 1.080 59.376 58.200 0.159 0.000 0.988 128 S CB -1.205 62.077 63.200 0.136 0.000 0.838 128 S HN 0.291 nan 8.310 nan 0.000 0.462 129 F N 2.542 122.504 119.950 0.020 0.000 2.095 129 F HA 0.031 4.555 4.527 -0.005 0.000 0.298 129 F C 1.956 177.736 175.800 -0.032 0.000 1.104 129 F CA 1.264 59.256 58.000 -0.013 0.000 1.232 129 F CB -0.392 38.586 39.000 -0.037 0.000 0.987 129 F HN 0.147 nan 8.300 nan 0.000 0.475 130 I N 0.215 120.814 120.570 0.047 0.000 2.226 130 I HA -0.310 3.857 4.170 -0.005 0.000 0.245 130 I C 2.696 178.718 176.117 -0.157 0.000 1.100 130 I CA 1.217 62.483 61.300 -0.056 0.000 1.374 130 I CB -0.982 37.093 38.000 0.124 0.000 1.057 130 I HN 0.250 nan 8.210 nan 0.000 0.413 131 A N 0.776 123.562 122.820 -0.057 0.000 1.933 131 A HA -0.220 4.097 4.320 -0.005 0.000 0.218 131 A C 2.310 179.811 177.584 -0.139 0.000 1.175 131 A CA 1.576 53.570 52.037 -0.071 0.000 0.628 131 A CB -0.443 18.554 19.000 -0.005 0.000 0.814 131 A HN 0.322 nan 8.150 nan 0.000 0.444 132 K N -0.755 119.527 120.400 -0.196 0.000 2.097 132 K HA -0.159 4.158 4.320 -0.005 0.000 0.206 132 K C 2.058 178.452 176.600 -0.342 0.000 1.049 132 K CA 1.497 57.646 56.287 -0.231 0.000 0.933 132 K CB -0.459 31.902 32.500 -0.232 0.000 0.717 132 K HN 0.599 nan 8.250 nan 0.000 0.442 133 C N 0.851 119.807 119.300 -0.572 0.000 2.446 133 C HA -0.028 4.429 4.460 -0.005 0.000 0.277 133 C C 2.522 177.260 174.990 -0.421 0.000 1.275 133 C CA 0.359 58.901 59.018 -0.793 0.000 1.727 133 C CB -0.802 26.238 27.740 -1.166 0.000 2.010 133 C HN 0.407 nan 8.230 nan 0.000 0.486 134 L N 1.069 122.141 121.223 -0.251 0.000 2.046 134 L HA -0.199 4.138 4.340 -0.005 0.000 0.208 134 L C 2.670 179.570 176.870 0.049 0.000 1.077 134 L CA 1.731 56.533 54.840 -0.063 0.000 0.747 134 L CB -0.687 41.326 42.059 -0.075 0.000 0.896 134 L HN 0.410 nan 8.230 nan 0.000 0.432 135 K N 0.495 120.886 120.400 -0.014 0.000 2.026 135 K HA -0.260 4.057 4.320 -0.005 0.000 0.208 135 K C 2.092 178.735 176.600 0.072 0.000 1.048 135 K CA 1.754 58.058 56.287 0.028 0.000 0.929 135 K CB -0.066 32.429 32.500 -0.009 0.000 0.713 135 K HN 0.266 nan 8.250 nan 0.000 0.439 136 E N -0.406 119.819 120.200 0.042 0.000 2.085 136 E HA -0.224 4.123 4.350 -0.005 0.000 0.194 136 E C 1.867 178.595 176.600 0.214 0.000 0.994 136 E CA 1.240 57.698 56.400 0.096 0.000 0.801 136 E CB -0.191 29.552 29.700 0.071 0.000 0.743 136 E HN 0.395 nan 8.360 nan 0.000 0.453 137 F N 0.561 120.604 119.950 0.155 0.000 2.113 137 F HA -0.188 4.335 4.527 -0.006 0.000 0.297 137 F C 2.103 178.109 175.800 0.343 0.000 1.103 137 F CA 1.319 59.504 58.000 0.308 0.000 1.248 137 F CB -0.224 38.945 39.000 0.283 0.000 0.999 137 F HN -0.119 nan 8.300 nan 0.000 0.475 138 V N 0.328 120.498 119.914 0.427 0.000 2.407 138 V HA -0.286 3.830 4.120 -0.005 0.000 0.248 138 V C 1.890 178.135 176.094 0.250 0.000 1.055 138 V CA 2.160 64.689 62.300 0.380 0.000 1.049 138 V CB -0.698 31.288 31.823 0.272 0.000 0.662 138 V HN 0.291 nan 8.190 nan 0.000 0.455 139 D N -0.417 120.068 120.400 0.143 0.000 2.219 139 D HA -0.159 4.478 4.640 -0.005 0.000 0.205 139 D C 2.127 178.419 176.300 -0.013 0.000 0.970 139 D CA 1.297 55.339 54.000 0.070 0.000 0.851 139 D CB -0.011 40.815 40.800 0.042 0.000 0.943 139 D HN 0.668 nan 8.370 nan 0.000 0.488 140 E N -0.644 119.515 120.200 -0.069 0.000 2.046 140 E HA -0.146 4.201 4.350 -0.005 0.000 0.190 140 E C 1.635 177.936 176.600 -0.498 0.000 0.982 140 E CA 0.871 57.099 56.400 -0.286 0.000 0.800 140 E CB -0.127 29.365 29.700 -0.347 0.000 0.756 140 E HN 0.269 nan 8.360 nan 0.000 0.449 141 W N -0.859 120.240 121.300 -0.336 0.000 2.658 141 W HA 0.099 4.755 4.660 -0.006 0.000 0.263 141 W C 0.145 176.269 176.519 -0.658 0.000 1.274 141 W CA 0.153 57.184 57.345 -0.523 0.000 1.343 141 W CB 0.386 29.445 29.460 -0.669 0.000 1.106 141 W HN 0.044 nan 8.180 nan 0.000 0.615 142 Y N 0.316 120.651 120.300 0.058 0.000 2.584 142 Y HA 0.247 4.795 4.550 -0.004 0.000 0.358 142 Y C -1.698 174.200 175.900 -0.003 0.000 1.028 142 Y CA -2.152 55.971 58.100 0.039 0.000 1.148 142 Y CB 0.491 38.987 38.460 0.061 0.000 1.126 142 Y HN -0.200 nan 8.280 nan 0.000 0.658 143 P HA -0.086 nan 4.420 nan 0.000 0.226 143 P C 0.348 177.667 177.300 0.033 0.000 1.153 143 P CA 1.353 64.458 63.100 0.009 0.000 0.777 143 P CB 0.570 32.239 31.700 -0.052 0.000 0.794 144 D N -0.658 119.777 120.400 0.057 0.000 2.340 144 D HA 0.236 4.873 4.640 -0.005 0.000 0.217 144 D C 1.350 177.685 176.300 0.058 0.000 1.081 144 D CA 0.606 54.634 54.000 0.046 0.000 0.842 144 D CB 0.439 41.263 40.800 0.040 0.000 0.934 144 D HN 0.121 nan 8.370 nan 0.000 0.511 145 G N 0.525 109.379 108.800 0.090 0.000 2.725 145 G HA2 -0.142 3.815 3.960 -0.005 0.000 0.220 145 G HA3 -0.142 3.815 3.960 -0.005 0.000 0.220 145 G C -0.250 174.676 174.900 0.043 0.000 1.357 145 G CA -0.321 44.816 45.100 0.061 0.000 0.866 145 G HN 0.486 nan 8.290 nan 0.000 0.548 146 V N -3.368 116.516 119.914 -0.050 0.000 2.914 146 V HA 0.856 4.973 4.120 -0.005 0.000 0.314 146 V C 1.266 177.314 176.094 -0.076 0.000 1.084 146 V CA 0.674 62.902 62.300 -0.120 0.000 0.963 146 V CB 1.370 33.009 31.823 -0.307 0.000 1.025 146 V HN 2.179 nan 8.190 nan 0.000 0.432 147 S N 0.907 116.568 115.700 -0.066 0.000 2.436 147 S HA 0.069 4.536 4.470 -0.005 0.000 0.228 147 S C 0.438 175.004 174.600 -0.056 0.000 1.014 147 S CA 0.732 58.906 58.200 -0.044 0.000 0.950 147 S CB -0.543 62.641 63.200 -0.027 0.000 0.784 147 S HN 1.126 nan 8.310 nan 0.000 0.504 148 E N 0.493 120.642 120.200 -0.085 0.000 2.383 148 E HA 0.592 4.939 4.350 -0.005 0.000 0.275 148 E C -3.443 173.087 176.600 -0.117 0.000 0.918 148 E CA -2.843 53.508 56.400 -0.082 0.000 0.764 148 E CB 0.947 30.607 29.700 -0.067 0.000 1.252 148 E HN -0.046 nan 8.360 nan 0.000 0.449 149 P HA 0.069 nan 4.420 nan 0.000 0.269 149 P C -0.627 176.595 177.300 -0.129 0.000 1.209 149 P CA -0.154 62.883 63.100 -0.104 0.000 0.776 149 P CB 0.436 32.097 31.700 -0.065 0.000 0.876 150 L N 4.974 126.106 121.223 -0.151 0.000 2.313 150 L HA 0.271 4.608 4.340 -0.005 0.000 0.282 150 L C -2.028 174.806 176.870 -0.060 0.000 1.092 150 L CA -1.821 52.923 54.840 -0.159 0.000 0.831 150 L CB 0.336 42.297 42.059 -0.163 0.000 1.159 150 L HN 0.211 nan 8.230 nan 0.000 0.442 151 P HA 0.205 nan 4.420 nan 0.000 0.275 151 P C -1.008 176.362 177.300 0.117 0.000 1.227 151 P CA -0.257 62.903 63.100 0.101 0.000 0.781 151 P CB 0.958 32.811 31.700 0.255 0.000 0.906 152 L N 2.297 123.561 121.223 0.068 0.000 2.386 152 L HA 0.806 5.143 4.340 -0.005 0.000 0.271 152 L C -0.199 176.708 176.870 0.062 0.000 0.993 152 L CA -0.477 54.393 54.840 0.049 0.000 0.819 152 L CB 1.730 43.785 42.059 -0.007 0.000 1.294 152 L HN 0.456 nan 8.230 nan 0.000 0.414 153 G N 3.095 111.938 108.800 0.072 0.000 2.372 153 G HA2 0.465 4.422 3.960 -0.005 0.000 0.323 153 G HA3 0.465 4.422 3.960 -0.005 0.000 0.323 153 G C -1.609 173.404 174.900 0.189 0.000 1.152 153 G CA -0.281 44.879 45.100 0.100 0.000 0.906 153 G HN 0.390 nan 8.290 nan 0.000 0.460 154 F N 2.846 122.815 119.950 0.031 0.000 2.347 154 F HA 0.473 4.997 4.527 -0.006 0.000 0.366 154 F C 0.270 176.142 175.800 0.119 0.000 1.107 154 F CA -1.403 56.643 58.000 0.076 0.000 1.058 154 F CB 1.292 40.326 39.000 0.056 0.000 1.236 154 F HN 0.255 nan 8.300 nan 0.000 0.456 155 T N 7.476 122.268 114.554 0.398 0.000 2.727 155 T HA 0.174 4.521 4.350 -0.005 0.000 0.295 155 T C -0.748 174.032 174.700 0.134 0.000 0.915 155 T CA 0.246 62.453 62.100 0.178 0.000 1.066 155 T CB -0.311 68.639 68.868 0.136 0.000 0.891 155 T HN 0.376 nan 8.240 nan 0.000 0.516 156 F N 3.366 123.160 119.950 -0.260 0.000 2.359 156 F HA 0.357 4.881 4.527 -0.004 0.000 0.369 156 F C 0.445 176.168 175.800 -0.129 0.000 1.084 156 F CA -1.083 56.719 58.000 -0.330 0.000 1.096 156 F CB 0.862 39.473 39.000 -0.648 0.000 1.335 156 F HN 0.396 nan 8.300 nan 0.000 0.457 157 S N 5.636 121.076 115.700 -0.433 0.000 2.849 157 S HA 0.249 4.716 4.470 -0.005 0.000 0.244 157 S C -0.996 173.007 174.600 -0.996 0.000 1.297 157 S CA -0.064 57.802 58.200 -0.556 0.000 1.241 157 S CB -0.821 62.129 63.200 -0.417 0.000 0.958 157 S HN 0.480 nan 8.310 nan 0.000 0.489 158 Y N 0.293 120.241 120.300 -0.586 0.000 2.536 158 Y HA 0.439 4.986 4.550 -0.005 0.000 0.347 158 Y C -2.616 173.123 175.900 -0.268 0.000 1.000 158 Y CA -3.057 54.761 58.100 -0.470 0.000 1.051 158 Y CB 0.386 38.400 38.460 -0.744 0.000 1.259 158 Y HN 0.021 nan 8.280 nan 0.000 0.468 159 P HA 0.218 nan 4.420 nan 0.000 0.258 159 P C -0.983 176.331 177.300 0.023 0.000 1.187 159 P CA 0.564 63.663 63.100 -0.002 0.000 0.767 159 P CB 0.184 31.888 31.700 0.006 0.000 0.770 160 A N 2.688 125.535 122.820 0.045 0.000 2.606 160 A HA 0.743 5.060 4.320 -0.005 0.000 0.293 160 A C -0.691 176.918 177.584 0.042 0.000 1.082 160 A CA -0.425 51.657 52.037 0.075 0.000 0.685 160 A CB 1.424 20.551 19.000 0.211 0.000 1.284 160 A HN 0.444 nan 8.150 nan 0.000 0.408 161 S N 0.222 115.935 115.700 0.022 0.000 2.599 161 S HA 0.839 5.306 4.470 -0.005 0.000 0.287 161 S C -0.973 173.638 174.600 0.019 0.000 1.105 161 S CA -0.449 57.767 58.200 0.028 0.000 0.899 161 S CB 1.736 64.947 63.200 0.018 0.000 1.100 161 S HN 1.480 nan 8.310 nan 0.000 0.482 162 Q N 0.184 120.019 119.800 0.059 0.000 2.340 162 Q HA 0.516 4.853 4.340 -0.005 0.000 0.276 162 Q C -1.143 174.885 176.000 0.047 0.000 1.048 162 Q CA -1.000 54.817 55.803 0.023 0.000 0.832 162 Q CB 1.789 30.541 28.738 0.024 0.000 1.373 162 Q HN 0.698 nan 8.270 nan 0.000 0.409 163 K N 0.903 121.232 120.400 -0.118 0.000 2.358 163 K HA 0.158 4.475 4.320 -0.005 0.000 0.197 163 K C -0.276 175.878 176.600 -0.743 0.000 1.025 163 K CA 0.419 56.563 56.287 -0.238 0.000 1.104 163 K CB 0.508 32.908 32.500 -0.166 0.000 0.855 163 K HN 0.654 nan 8.250 nan 0.000 0.531 164 K N -0.943 119.031 120.400 -0.710 0.000 2.575 164 K HA 0.245 4.562 4.320 -0.005 0.000 0.279 164 K C 0.097 176.432 176.600 -0.441 0.000 0.969 164 K CA -0.717 55.071 56.287 -0.832 0.000 0.868 164 K CB 0.852 33.053 32.500 -0.497 0.000 1.457 164 K HN -0.170 nan 8.250 nan 0.000 0.426 165 I N 0.959 121.377 120.570 -0.253 0.000 2.546 165 I HA -0.171 3.996 4.170 -0.005 0.000 0.255 165 I C 0.427 176.515 176.117 -0.048 0.000 1.163 165 I CA 0.872 62.161 61.300 -0.018 0.000 1.457 165 I CB 0.025 38.081 38.000 0.095 0.000 1.092 165 I HN 0.725 nan 8.210 nan 0.000 0.434 166 N N 1.369 120.015 118.700 -0.090 0.000 3.052 166 N HA 0.035 4.772 4.740 -0.005 0.000 0.302 166 N C -0.746 174.701 175.510 -0.105 0.000 1.332 166 N CA 0.200 53.204 53.050 -0.076 0.000 1.129 166 N CB 0.049 38.494 38.487 -0.069 0.000 1.436 166 N HN 0.253 nan 8.380 nan 0.000 0.536 167 S N -2.071 113.562 115.700 -0.111 0.000 2.565 167 S HA 0.756 5.223 4.470 -0.005 0.000 0.274 167 S C -0.833 173.683 174.600 -0.140 0.000 1.144 167 S CA -0.673 57.445 58.200 -0.136 0.000 0.849 167 S CB 1.493 64.606 63.200 -0.145 0.000 1.103 167 S HN 0.465 nan 8.310 nan 0.000 0.455 168 G N 0.855 109.546 108.800 -0.183 0.000 2.413 168 G HA2 0.518 4.474 3.960 -0.005 0.000 0.285 168 G HA3 0.518 4.474 3.960 -0.005 0.000 0.285 168 G C -1.499 173.287 174.900 -0.189 0.000 1.337 168 G CA -0.489 44.503 45.100 -0.181 0.000 1.324 168 G HN 1.050 nan 8.290 nan 0.000 0.611 169 V N 3.725 123.574 119.914 -0.108 0.000 2.368 169 V HA 0.276 4.393 4.120 -0.005 0.000 0.266 169 V C 0.590 176.641 176.094 -0.072 0.000 1.045 169 V CA -0.701 61.541 62.300 -0.097 0.000 0.899 169 V CB 1.080 32.854 31.823 -0.080 0.000 1.006 169 V HN 0.742 nan 8.190 nan 0.000 0.470 170 L N 5.842 127.008 121.223 -0.095 0.000 2.513 170 L HA 0.146 4.483 4.340 -0.005 0.000 0.272 170 L C 1.299 178.089 176.870 -0.134 0.000 1.187 170 L CA 0.899 55.682 54.840 -0.094 0.000 0.895 170 L CB 0.791 42.689 42.059 -0.269 0.000 1.147 170 L HN 0.620 nan 8.230 nan 0.000 0.483 171 Q N 4.768 124.513 119.800 -0.093 0.000 2.134 171 Q HA 0.129 4.466 4.340 -0.005 0.000 0.195 171 Q C -0.099 175.844 176.000 -0.095 0.000 0.958 171 Q CA 1.157 56.912 55.803 -0.079 0.000 0.840 171 Q CB 0.056 28.773 28.738 -0.035 0.000 0.918 171 Q HN 0.798 nan 8.270 nan 0.000 0.467 172 R N -1.906 118.534 120.500 -0.100 0.000 2.594 172 R HA 0.341 4.678 4.340 -0.005 0.000 0.265 172 R C -1.551 174.737 176.300 -0.021 0.000 1.070 172 R CA -0.671 55.394 56.100 -0.058 0.000 0.909 172 R CB 0.043 30.359 30.300 0.027 0.000 1.243 172 R HN -0.093 nan 8.270 nan 0.000 0.455 173 W N 2.384 123.721 121.300 0.062 0.000 2.158 173 W HA 0.250 4.907 4.660 -0.006 0.000 0.339 173 W C 0.697 177.298 176.519 0.136 0.000 1.294 173 W CA 0.523 57.909 57.345 0.068 0.000 1.231 173 W CB 1.308 30.814 29.460 0.077 0.000 1.143 173 W HN 0.758 nan 8.180 nan 0.000 0.571 174 T N -1.569 113.332 114.554 0.578 0.000 2.742 174 T HA 0.468 4.815 4.350 -0.005 0.000 0.282 174 T C -0.281 174.682 174.700 0.438 0.000 1.025 174 T CA -1.104 61.226 62.100 0.383 0.000 1.020 174 T CB 1.634 70.643 68.868 0.235 0.000 1.317 174 T HN 0.522 nan 8.240 nan 0.000 0.538 175 K N -0.013 120.537 120.400 0.249 0.000 3.129 175 K HA -0.157 4.160 4.320 -0.005 0.000 0.273 175 K C 1.001 177.672 176.600 0.119 0.000 1.123 175 K CA 0.699 57.105 56.287 0.199 0.000 0.800 175 K CB -2.048 30.624 32.500 0.287 0.000 1.238 175 K HN 1.666 nan 8.250 nan 0.000 0.492 176 G N -0.593 108.247 108.800 0.067 0.000 2.179 176 G HA2 -0.346 3.611 3.960 -0.005 0.000 0.260 176 G HA3 -0.346 3.611 3.960 -0.005 0.000 0.260 176 G C 0.129 174.917 174.900 -0.187 0.000 0.977 176 G CA 0.272 45.330 45.100 -0.070 0.000 0.641 176 G HN 0.269 nan 8.290 nan 0.000 0.533 177 F N 1.174 121.016 119.950 -0.179 0.000 2.484 177 F HA 0.509 5.033 4.527 -0.005 0.000 0.360 177 F C 0.814 176.310 175.800 -0.507 0.000 1.101 177 F CA 0.652 58.340 58.000 -0.519 0.000 1.251 177 F CB 1.179 39.641 39.000 -0.896 0.000 1.132 177 F HN 0.029 nan 8.300 nan 0.000 0.570 178 D N 4.335 124.491 120.400 -0.406 0.000 2.978 178 D HA 0.268 4.905 4.640 -0.005 0.000 0.268 178 D C -1.053 175.132 176.300 -0.192 0.000 1.252 178 D CA -0.052 53.828 54.000 -0.200 0.000 0.771 178 D CB -0.073 40.682 40.800 -0.075 0.000 1.361 178 D HN 0.288 nan 8.370 nan 0.000 0.558 179 I N 1.553 121.950 120.570 -0.289 0.000 2.339 179 I HA 0.269 4.436 4.170 -0.005 0.000 0.290 179 I C 0.732 177.051 176.117 0.338 0.000 0.994 179 I CA -0.758 60.556 61.300 0.023 0.000 1.191 179 I CB 1.562 39.544 38.000 -0.030 0.000 1.343 179 I HN 0.010 nan 8.210 nan 0.000 0.458 180 E N 4.040 124.370 120.200 0.216 0.000 2.398 180 E HA 0.242 4.588 4.350 -0.005 0.000 0.263 180 E C 0.919 177.672 176.600 0.255 0.000 1.046 180 E CA 0.469 57.003 56.400 0.223 0.000 0.908 180 E CB 0.635 30.420 29.700 0.141 0.000 0.963 180 E HN 0.933 nan 8.360 nan 0.000 0.431 181 G N 1.240 110.193 108.800 0.255 0.000 2.147 181 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.244 181 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.244 181 G C 0.537 175.654 174.900 0.363 0.000 1.005 181 G CA 0.359 45.618 45.100 0.265 0.000 0.713 181 G HN 0.367 nan 8.290 nan 0.000 0.515 182 V N -0.812 119.337 119.914 0.391 0.000 3.090 182 V HA 0.216 4.332 4.120 -0.005 0.000 0.237 182 V C 1.315 177.469 176.094 0.100 0.000 1.209 182 V CA 0.897 63.399 62.300 0.337 0.000 1.209 182 V CB 0.058 32.126 31.823 0.410 0.000 0.971 182 V HN 0.439 nan 8.190 nan 0.000 0.477 183 E N 1.123 121.297 120.200 -0.043 0.000 2.465 183 E HA 0.330 4.677 4.350 -0.005 0.000 0.260 183 E C 1.208 177.660 176.600 -0.246 0.000 0.980 183 E CA 0.950 57.239 56.400 -0.185 0.000 0.927 183 E CB 0.323 29.943 29.700 -0.133 0.000 0.934 183 E HN 0.536 nan 8.360 nan 0.000 0.459 184 G N 2.808 111.443 108.800 -0.275 0.000 2.176 184 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.253 184 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.253 184 G C -0.246 174.356 174.900 -0.497 0.000 0.979 184 G CA 0.233 45.106 45.100 -0.378 0.000 0.641 184 G HN 0.706 nan 8.290 nan 0.000 0.530 185 H N -0.382 118.648 119.070 -0.066 0.000 2.731 185 H HA 0.571 5.124 4.556 -0.005 0.000 0.368 185 H C -0.885 174.374 175.328 -0.115 0.000 1.168 185 H CA -0.741 55.265 56.048 -0.071 0.000 1.181 185 H CB 1.648 31.387 29.762 -0.039 0.000 1.743 185 H HN 0.068 nan 8.280 nan 0.000 0.547 186 D N 1.689 122.091 120.400 0.004 0.000 2.325 186 D HA -0.007 4.629 4.640 -0.005 0.000 0.251 186 D C 1.195 177.370 176.300 -0.208 0.000 1.196 186 D CA -0.152 53.777 54.000 -0.117 0.000 0.866 186 D CB 1.345 42.077 40.800 -0.114 0.000 1.101 186 D HN 0.438 nan 8.370 nan 0.000 0.476 187 V N 2.483 122.203 119.914 -0.323 0.000 2.871 187 V HA -0.095 4.022 4.120 -0.005 0.000 0.256 187 V C 1.939 177.679 176.094 -0.590 0.000 1.082 187 V CA 0.637 62.619 62.300 -0.531 0.000 1.105 187 V CB -0.418 31.035 31.823 -0.618 0.000 0.713 187 V HN 0.391 nan 8.190 nan 0.000 0.473 188 V N 1.185 120.878 119.914 -0.370 0.000 2.261 188 V HA -0.084 4.033 4.120 -0.005 0.000 0.246 188 V C 0.496 176.422 176.094 -0.279 0.000 1.047 188 V CA 2.846 64.988 62.300 -0.263 0.000 1.015 188 V CB -1.749 29.976 31.823 -0.163 0.000 0.642 188 V HN 0.527 nan 8.190 nan 0.000 0.446 189 P HA -0.106 nan 4.420 nan 0.000 0.221 189 P C 1.847 178.977 177.300 -0.283 0.000 1.150 189 P CA 1.430 64.399 63.100 -0.217 0.000 0.800 189 P CB -0.105 31.495 31.700 -0.165 0.000 0.787 190 M N -1.535 117.800 119.600 -0.441 0.000 2.086 190 M HA -0.140 4.337 4.480 -0.005 0.000 0.261 190 M C 2.003 177.923 176.300 -0.633 0.000 1.067 190 M CA 1.601 56.537 55.300 -0.607 0.000 1.116 190 M CB -0.951 31.047 32.600 -1.003 0.000 1.348 190 M HN -0.036 nan 8.290 nan 0.000 0.407 191 L N 0.385 121.163 121.223 -0.741 0.000 2.044 191 L HA -0.163 4.173 4.340 -0.005 0.000 0.205 191 L C 2.420 179.183 176.870 -0.177 0.000 1.075 191 L CA 1.914 56.543 54.840 -0.351 0.000 0.747 191 L CB -0.839 41.026 42.059 -0.322 0.000 0.903 191 L HN 0.221 nan 8.230 nan 0.000 0.435 192 Q N 0.101 119.785 119.800 -0.193 0.000 2.135 192 Q HA -0.273 4.064 4.340 -0.005 0.000 0.204 192 Q C 2.224 178.169 176.000 -0.090 0.000 0.981 192 Q CA 2.169 57.899 55.803 -0.121 0.000 0.856 192 Q CB -0.332 28.337 28.738 -0.116 0.000 0.902 192 Q HN 0.691 nan 8.270 nan 0.000 0.425 193 E N -1.041 119.098 120.200 -0.102 0.000 2.077 193 E HA -0.239 4.108 4.350 -0.005 0.000 0.193 193 E C 1.697 178.280 176.600 -0.027 0.000 0.989 193 E CA 1.194 57.556 56.400 -0.063 0.000 0.800 193 E CB 0.095 29.755 29.700 -0.068 0.000 0.746 193 E HN 0.376 nan 8.360 nan 0.000 0.452 194 Q N 0.156 119.951 119.800 -0.008 0.000 2.172 194 Q HA -0.057 4.280 4.340 -0.005 0.000 0.200 194 Q C 2.312 178.317 176.000 0.008 0.000 0.964 194 Q CA 0.717 56.539 55.803 0.033 0.000 0.855 194 Q CB -0.091 28.711 28.738 0.107 0.000 0.918 194 Q HN 0.464 nan 8.270 nan 0.000 0.444 195 I N 0.841 121.402 120.570 -0.015 0.000 2.179 195 I HA -0.274 3.893 4.170 -0.005 0.000 0.242 195 I C 2.056 178.159 176.117 -0.023 0.000 1.088 195 I CA 1.272 62.556 61.300 -0.026 0.000 1.357 195 I CB -0.158 37.816 38.000 -0.044 0.000 1.051 195 I HN 0.232 nan 8.210 nan 0.000 0.409 196 E N 0.601 120.784 120.200 -0.027 0.000 2.106 196 E HA -0.268 4.079 4.350 -0.005 0.000 0.192 196 E C 2.117 178.708 176.600 -0.015 0.000 0.984 196 E CA 0.948 57.333 56.400 -0.024 0.000 0.806 196 E CB -0.068 29.614 29.700 -0.030 0.000 0.750 196 E HN 0.342 nan 8.360 nan 0.000 0.458 197 K N 0.966 121.361 120.400 -0.009 0.000 2.147 197 K HA -0.122 4.195 4.320 -0.005 0.000 0.205 197 K C 1.620 178.220 176.600 -0.000 0.000 1.049 197 K CA 0.935 57.221 56.287 -0.001 0.000 0.936 197 K CB 0.077 32.582 32.500 0.009 0.000 0.722 197 K HN 0.122 nan 8.250 nan 0.000 0.446 198 L N 0.695 121.916 121.223 -0.002 0.000 2.592 198 L HA 0.076 4.412 4.340 -0.005 0.000 0.227 198 L C 0.421 177.288 176.870 -0.005 0.000 1.127 198 L CA 0.002 54.840 54.840 -0.003 0.000 0.884 198 L CB -0.437 41.618 42.059 -0.006 0.000 1.065 198 L HN 0.404 nan 8.230 nan 0.000 0.457 199 N N 1.315 120.010 118.700 -0.008 0.000 2.735 199 N HA -0.203 4.534 4.740 -0.005 0.000 0.248 199 N C -0.137 175.368 175.510 -0.010 0.000 1.083 199 N CA -0.106 52.938 53.050 -0.010 0.000 0.703 199 N CB -0.566 37.917 38.487 -0.007 0.000 1.005 199 N HN 0.309 nan 8.380 nan 0.000 0.550 200 I N 1.360 121.923 120.570 -0.011 0.000 2.395 200 I HA 0.232 4.399 4.170 -0.005 0.000 0.289 200 I C -1.608 174.496 176.117 -0.021 0.000 1.023 200 I CA -1.786 59.509 61.300 -0.008 0.000 1.350 200 I CB 1.065 39.062 38.000 -0.005 0.000 1.409 200 I HN -0.006 nan 8.210 nan 0.000 0.507 201 P HA 0.348 nan 4.420 nan 0.000 0.231 201 P C -0.615 176.649 177.300 -0.061 0.000 1.811 201 P CA 0.287 63.357 63.100 -0.050 0.000 1.051 201 P CB -0.121 31.539 31.700 -0.067 0.000 1.951 202 I N 1.715 122.257 120.570 -0.046 0.000 2.647 202 I HA 0.288 4.455 4.170 -0.005 0.000 0.295 202 I C -0.218 175.874 176.117 -0.041 0.000 1.078 202 I CA -0.868 60.405 61.300 -0.045 0.000 1.048 202 I CB 2.466 40.444 38.000 -0.037 0.000 1.239 202 I HN -0.044 nan 8.210 nan 0.000 0.421 203 N N 4.092 122.772 118.700 -0.033 0.000 2.407 203 N HA 0.375 5.112 4.740 -0.005 0.000 0.277 203 N C -1.020 174.478 175.510 -0.019 0.000 0.995 203 N CA -0.524 52.508 53.050 -0.029 0.000 0.903 203 N CB 2.281 40.755 38.487 -0.022 0.000 1.218 203 N HN 0.172 nan 8.380 nan 0.000 0.487 204 V N 3.045 122.940 119.914 -0.033 0.000 2.397 204 V HA 0.023 4.140 4.120 -0.005 0.000 0.262 204 V C 1.268 177.356 176.094 -0.009 0.000 1.047 204 V CA -0.054 62.235 62.300 -0.020 0.000 1.003 204 V CB 0.346 32.145 31.823 -0.040 0.000 1.037 204 V HN 0.677 nan 8.190 nan 0.000 0.480 205 V N 1.918 121.839 119.914 0.012 0.000 3.661 205 V HA 0.749 4.866 4.120 -0.005 0.000 0.271 205 V C 0.629 176.728 176.094 0.008 0.000 1.315 205 V CA 0.597 62.900 62.300 0.005 0.000 1.072 205 V CB 0.207 32.039 31.823 0.016 0.000 0.830 205 V HN 0.799 nan 8.190 nan 0.000 0.443 206 A N 0.474 123.313 122.820 0.032 0.000 2.520 206 A HA 0.834 5.150 4.320 -0.005 0.000 0.298 206 A C -1.543 176.083 177.584 0.070 0.000 1.051 206 A CA -0.481 51.578 52.037 0.037 0.000 0.690 206 A CB 2.168 21.187 19.000 0.032 0.000 1.281 206 A HN 0.550 nan 8.150 nan 0.000 0.402 207 L N 3.377 124.624 121.223 0.039 0.000 2.381 207 L HA 0.900 5.236 4.340 -0.005 0.000 0.274 207 L C -0.977 175.905 176.870 0.021 0.000 0.988 207 L CA -0.740 54.112 54.840 0.020 0.000 0.824 207 L CB 1.357 43.368 42.059 -0.081 0.000 1.263 207 L HN 0.839 nan 8.230 nan 0.000 0.410 208 I N 1.137 121.723 120.570 0.026 0.000 3.042 208 I HA 0.523 4.690 4.170 -0.005 0.000 0.310 208 I C -1.263 174.860 176.117 0.010 0.000 1.117 208 I CA -0.829 60.483 61.300 0.020 0.000 1.003 208 I CB 2.075 40.084 38.000 0.014 0.000 1.228 208 I HN 0.611 nan 8.210 nan 0.000 0.443 209 N N 2.862 121.555 118.700 -0.011 0.000 2.518 209 N HA 0.027 4.764 4.740 -0.005 0.000 0.283 209 N C 0.533 176.023 175.510 -0.033 0.000 1.119 209 N CA 0.000 53.032 53.050 -0.031 0.000 0.983 209 N CB 1.276 39.736 38.487 -0.046 0.000 1.139 209 N HN 0.904 nan 8.380 nan 0.000 0.465 210 D N 2.379 122.759 120.400 -0.034 0.000 2.182 210 D HA -0.173 4.464 4.640 -0.005 0.000 0.201 210 D C 0.949 177.230 176.300 -0.032 0.000 0.986 210 D CA 1.545 55.530 54.000 -0.025 0.000 0.847 210 D CB -0.395 40.391 40.800 -0.024 0.000 0.942 210 D HN 0.502 nan 8.370 nan 0.000 0.467 211 T N 0.410 114.936 114.554 -0.047 0.000 2.821 211 T HA -0.089 4.258 4.350 -0.005 0.000 0.267 211 T C 2.034 176.696 174.700 -0.063 0.000 1.046 211 T CA 1.768 63.835 62.100 -0.054 0.000 1.139 211 T CB -0.461 68.361 68.868 -0.076 0.000 0.871 211 T HN 0.266 nan 8.240 nan 0.000 0.454 212 T N 1.399 115.905 114.554 -0.079 0.000 2.720 212 T HA -0.059 4.288 4.350 -0.005 0.000 0.268 212 T C 2.319 176.975 174.700 -0.072 0.000 1.037 212 T CA 1.326 63.362 62.100 -0.105 0.000 1.144 212 T CB -0.825 67.977 68.868 -0.111 0.000 0.864 212 T HN 0.525 nan 8.240 nan 0.000 0.444 213 G N 0.966 109.739 108.800 -0.045 0.000 2.422 213 G HA2 -0.195 3.761 3.960 -0.005 0.000 0.218 213 G HA3 -0.195 3.761 3.960 -0.005 0.000 0.218 213 G C 1.710 176.601 174.900 -0.014 0.000 1.146 213 G CA 1.321 46.403 45.100 -0.029 0.000 0.769 213 G HN 0.440 nan 8.290 nan 0.000 0.547 214 T N 1.117 115.665 114.554 -0.011 0.000 2.746 214 T HA -0.143 4.204 4.350 -0.005 0.000 0.267 214 T C 2.240 176.955 174.700 0.025 0.000 1.039 214 T CA 1.260 63.365 62.100 0.007 0.000 1.142 214 T CB -0.239 68.627 68.868 -0.003 0.000 0.866 214 T HN 0.171 nan 8.240 nan 0.000 0.444 215 L N 1.362 122.591 121.223 0.010 0.000 1.989 215 L HA -0.057 4.280 4.340 -0.005 0.000 0.211 215 L C 2.405 179.331 176.870 0.092 0.000 1.071 215 L CA 1.728 56.592 54.840 0.039 0.000 0.749 215 L CB -0.841 41.203 42.059 -0.025 0.000 0.890 215 L HN 0.084 nan 8.230 nan 0.000 0.431 216 V N 0.183 120.136 119.914 0.065 0.000 2.307 216 V HA -0.208 3.909 4.120 -0.005 0.000 0.245 216 V C 2.829 179.004 176.094 0.135 0.000 1.045 216 V CA 1.531 63.907 62.300 0.127 0.000 1.024 216 V CB -1.415 30.450 31.823 0.069 0.000 0.651 216 V HN 0.619 nan 8.190 nan 0.000 0.449 217 A N -0.205 122.659 122.820 0.073 0.000 1.933 217 A HA -0.204 4.113 4.320 -0.005 0.000 0.218 217 A C 2.470 180.170 177.584 0.193 0.000 1.175 217 A CA 2.326 54.412 52.037 0.082 0.000 0.628 217 A CB -0.643 18.356 19.000 -0.001 0.000 0.814 217 A HN 0.514 nan 8.150 nan 0.000 0.444 218 S N -0.681 115.112 115.700 0.155 0.000 2.387 218 S HA -0.075 4.391 4.470 -0.005 0.000 0.226 218 S C 1.790 176.492 174.600 0.169 0.000 1.026 218 S CA 1.185 59.481 58.200 0.161 0.000 0.972 218 S CB -0.321 62.946 63.200 0.112 0.000 0.814 218 S HN 0.464 nan 8.310 nan 0.000 0.477 219 L N 0.903 122.230 121.223 0.174 0.000 2.141 219 L HA -0.003 4.333 4.340 -0.005 0.000 0.209 219 L C 1.939 178.925 176.870 0.194 0.000 1.094 219 L CA 1.578 56.511 54.840 0.154 0.000 0.763 219 L CB -0.911 41.261 42.059 0.187 0.000 0.908 219 L HN 0.369 nan 8.230 nan 0.000 0.437 220 Y N 0.238 120.627 120.300 0.148 0.000 2.165 220 Y HA -0.273 4.274 4.550 -0.005 0.000 0.286 220 Y C 2.529 178.606 175.900 0.294 0.000 1.155 220 Y CA 2.516 60.726 58.100 0.184 0.000 1.164 220 Y CB -0.477 38.059 38.460 0.127 0.000 0.978 220 Y HN 0.407 nan 8.280 nan 0.000 0.513 221 T N -3.134 111.581 114.554 0.269 0.000 3.035 221 T HA 0.028 4.375 4.350 -0.005 0.000 0.259 221 T C 0.256 174.970 174.700 0.023 0.000 1.078 221 T CA 0.626 62.832 62.100 0.177 0.000 1.132 221 T CB -0.011 69.033 68.868 0.293 0.000 0.900 221 T HN 0.250 nan 8.240 nan 0.000 0.480 222 D N 1.886 122.302 120.400 0.027 0.000 2.389 222 D HA 0.364 5.000 4.640 -0.005 0.000 0.256 222 D C -2.375 173.873 176.300 -0.087 0.000 1.239 222 D CA -2.642 51.337 54.000 -0.035 0.000 0.925 222 D CB 2.009 42.855 40.800 0.078 0.000 1.145 222 D HN -0.072 nan 8.370 nan 0.000 0.542 223 P HA -0.050 nan 4.420 nan 0.000 0.230 223 P C 0.851 178.023 177.300 -0.213 0.000 1.158 223 P CA 0.768 63.758 63.100 -0.183 0.000 0.769 223 P CB 0.303 31.865 31.700 -0.230 0.000 0.807 224 Q N -1.296 118.345 119.800 -0.265 0.000 2.444 224 Q HA 0.046 4.383 4.340 -0.005 0.000 0.206 224 Q C 0.127 175.981 176.000 -0.243 0.000 0.948 224 Q CA 0.348 55.931 55.803 -0.367 0.000 0.946 224 Q CB -0.360 27.922 28.738 -0.760 0.000 1.027 224 Q HN 0.182 nan 8.270 nan 0.000 0.513 225 T N 1.403 115.891 114.554 -0.110 0.000 2.853 225 T HA 0.049 4.396 4.350 -0.005 0.000 0.298 225 T C 0.907 175.556 174.700 -0.086 0.000 0.978 225 T CA 0.214 62.303 62.100 -0.018 0.000 1.152 225 T CB 0.690 69.587 68.868 0.049 0.000 0.914 225 T HN 0.003 nan 8.240 nan 0.000 0.539 226 K N 2.020 122.372 120.400 -0.081 0.000 2.412 226 K HA 0.340 4.656 4.320 -0.005 0.000 0.202 226 K C 0.177 176.832 176.600 0.092 0.000 1.102 226 K CA 0.137 56.323 56.287 -0.168 0.000 1.027 226 K CB 0.738 32.963 32.500 -0.458 0.000 0.931 226 K HN 0.632 nan 8.250 nan 0.000 0.557 227 M N -0.591 119.077 119.600 0.115 0.000 2.490 227 M HA 0.412 4.889 4.480 -0.005 0.000 0.286 227 M C -1.601 174.757 176.300 0.096 0.000 1.185 227 M CA -0.612 54.783 55.300 0.159 0.000 0.912 227 M CB 2.315 35.013 32.600 0.163 0.000 1.744 227 M HN 0.048 nan 8.290 nan 0.000 0.494 228 G N 3.286 112.131 108.800 0.075 0.000 2.415 228 G HA2 0.721 4.678 3.960 -0.005 0.000 0.327 228 G HA3 0.721 4.678 3.960 -0.005 0.000 0.327 228 G C -1.918 172.995 174.900 0.021 0.000 1.182 228 G CA -0.584 44.533 45.100 0.029 0.000 0.924 228 G HN 0.811 nan 8.290 nan 0.000 0.470 229 I N 2.065 122.634 120.570 -0.002 0.000 2.619 229 I HA 0.469 4.636 4.170 -0.005 0.000 0.292 229 I C -1.312 174.801 176.117 -0.006 0.000 1.100 229 I CA -1.221 60.094 61.300 0.026 0.000 1.043 229 I CB 1.973 40.019 38.000 0.077 0.000 1.239 229 I HN 0.149 nan 8.210 nan 0.000 0.420 230 I N 8.305 128.894 120.570 0.031 0.000 2.378 230 I HA 0.413 4.580 4.170 -0.005 0.000 0.291 230 I C -0.304 175.858 176.117 0.076 0.000 0.992 230 I CA -0.551 60.767 61.300 0.030 0.000 1.154 230 I CB 1.455 39.466 38.000 0.018 0.000 1.315 230 I HN 0.430 nan 8.210 nan 0.000 0.448 231 I N 5.907 126.511 120.570 0.057 0.000 2.537 231 I HA 0.539 4.706 4.170 -0.005 0.000 0.276 231 I C 0.478 176.601 176.117 0.009 0.000 1.063 231 I CA -0.041 61.288 61.300 0.048 0.000 1.144 231 I CB 1.446 39.471 38.000 0.041 0.000 1.252 231 I HN 0.714 nan 8.210 nan 0.000 0.480 232 G N 2.275 111.091 108.800 0.027 0.000 3.137 232 G HA2 0.214 4.171 3.960 -0.005 0.000 0.196 232 G HA3 0.214 4.171 3.960 -0.005 0.000 0.196 232 G C 0.463 175.387 174.900 0.041 0.000 1.135 232 G CA 0.062 45.177 45.100 0.026 0.000 0.803 232 G HN 0.225 nan 8.290 nan 0.000 0.619 233 T N 0.495 115.070 114.554 0.036 0.000 2.746 233 T HA 0.135 4.482 4.350 -0.005 0.000 0.267 233 T C 1.306 176.012 174.700 0.010 0.000 1.039 233 T CA 1.527 63.641 62.100 0.022 0.000 1.142 233 T CB -0.485 68.362 68.868 -0.035 0.000 0.866 233 T HN 0.697 nan 8.240 nan 0.000 0.444 234 G N 0.680 109.486 108.800 0.010 0.000 2.461 234 G HA2 0.563 4.520 3.960 -0.005 0.000 0.329 234 G HA3 0.563 4.520 3.960 -0.005 0.000 0.329 234 G C -0.926 174.019 174.900 0.076 0.000 1.170 234 G CA -0.560 44.562 45.100 0.037 0.000 0.935 234 G HN 0.409 nan 8.290 nan 0.000 0.492 235 V N -1.134 118.854 119.914 0.122 0.000 2.823 235 V HA 0.909 5.026 4.120 -0.005 0.000 0.312 235 V C -0.851 175.357 176.094 0.189 0.000 1.072 235 V CA -1.101 61.312 62.300 0.189 0.000 0.937 235 V CB 1.886 33.861 31.823 0.254 0.000 1.013 235 V HN 0.833 nan 8.190 nan 0.000 0.430 236 N N 1.021 119.792 118.700 0.118 0.000 3.127 236 N HA 0.776 5.513 4.740 -0.005 0.000 0.239 236 N C -0.797 174.480 175.510 -0.388 0.000 1.407 236 N CA 0.340 53.256 53.050 -0.223 0.000 0.891 236 N CB 2.204 40.608 38.487 -0.137 0.000 1.447 236 N HN 1.414 nan 8.380 nan 0.000 0.507 237 G N -0.600 107.745 108.800 -0.759 0.000 2.706 237 G HA2 0.855 4.812 3.960 -0.005 0.000 0.297 237 G HA3 0.855 4.812 3.960 -0.005 0.000 0.297 237 G C -1.759 173.034 174.900 -0.179 0.000 1.403 237 G CA -0.174 44.722 45.100 -0.340 0.000 0.954 237 G HN 0.641 nan 8.290 nan 0.000 0.500 238 A N 0.453 123.264 122.820 -0.015 0.000 2.475 238 A HA 0.997 5.314 4.320 -0.005 0.000 0.301 238 A C -1.117 176.550 177.584 0.138 0.000 1.059 238 A CA -0.800 51.241 52.037 0.007 0.000 0.710 238 A CB 1.483 20.424 19.000 -0.098 0.000 1.288 238 A HN 2.063 nan 8.150 nan 0.000 0.408 239 Y N -1.458 118.806 120.300 -0.061 0.000 2.725 239 Y HA 0.718 5.266 4.550 -0.005 0.000 0.333 239 Y C -1.915 173.986 175.900 0.002 0.000 1.242 239 Y CA -1.528 56.597 58.100 0.042 0.000 1.059 239 Y CB 0.827 39.378 38.460 0.151 0.000 1.306 239 Y HN 0.529 nan 8.280 nan 0.000 0.454 240 Y N 2.337 122.662 120.300 0.041 0.000 2.341 240 Y HA 0.305 4.851 4.550 -0.006 0.000 0.340 240 Y C 0.376 176.283 175.900 0.011 0.000 0.997 240 Y CA -0.011 58.067 58.100 -0.037 0.000 1.149 240 Y CB 0.836 39.464 38.460 0.279 0.000 1.171 240 Y HN 0.685 nan 8.280 nan 0.000 0.494 241 D N 1.013 121.357 120.400 -0.092 0.000 2.560 241 D HA 0.467 5.104 4.640 -0.005 0.000 0.277 241 D C -1.192 175.164 176.300 0.093 0.000 1.194 241 D CA -0.241 53.812 54.000 0.090 0.000 1.092 241 D CB 2.003 42.806 40.800 0.005 0.000 1.169 241 D HN 0.336 nan 8.370 nan 0.000 0.607 242 V N 0.616 120.566 119.914 0.059 0.000 2.876 242 V HA 0.180 4.297 4.120 -0.005 0.000 0.312 242 V C 1.191 177.283 176.094 -0.004 0.000 1.085 242 V CA -0.611 61.709 62.300 0.033 0.000 0.945 242 V CB 1.839 33.697 31.823 0.058 0.000 1.017 242 V HN 0.434 nan 8.190 nan 0.000 0.428 243 V N 4.202 124.104 119.914 -0.020 0.000 2.380 243 V HA -0.180 3.937 4.120 -0.005 0.000 0.251 243 V C 2.544 178.632 176.094 -0.010 0.000 1.063 243 V CA 2.855 65.139 62.300 -0.027 0.000 1.055 243 V CB -0.604 31.209 31.823 -0.016 0.000 0.657 243 V HN 1.133 nan 8.190 nan 0.000 0.455 244 S N 0.578 116.279 115.700 0.002 0.000 2.469 244 S HA -0.064 4.403 4.470 -0.005 0.000 0.238 244 S C 1.763 176.368 174.600 0.008 0.000 0.998 244 S CA 1.161 59.366 58.200 0.007 0.000 0.957 244 S CB -0.448 62.760 63.200 0.012 0.000 0.764 244 S HN 0.594 nan 8.310 nan 0.000 0.514 245 G N 0.648 109.453 108.800 0.009 0.000 3.141 245 G HA2 0.416 4.373 3.960 -0.005 0.000 0.218 245 G HA3 0.416 4.373 3.960 -0.005 0.000 0.218 245 G C 0.276 175.179 174.900 0.005 0.000 1.170 245 G CA -0.380 44.728 45.100 0.013 0.000 0.769 245 G HN 0.581 nan 8.290 nan 0.000 0.546 246 I N 0.714 121.278 120.570 -0.009 0.000 2.460 246 I HA 0.193 4.360 4.170 -0.005 0.000 0.277 246 I C 1.150 177.261 176.117 -0.010 0.000 1.057 246 I CA -0.346 60.941 61.300 -0.021 0.000 1.179 246 I CB 1.654 39.618 38.000 -0.059 0.000 1.329 246 I HN 0.110 nan 8.210 nan 0.000 0.478 247 E N 5.943 126.142 120.200 -0.002 0.000 2.118 247 E HA -0.231 4.116 4.350 -0.005 0.000 0.195 247 E C 1.833 178.437 176.600 0.006 0.000 0.992 247 E CA 1.451 57.853 56.400 0.004 0.000 0.804 247 E CB 0.286 29.989 29.700 0.005 0.000 0.741 247 E HN 0.682 nan 8.360 nan 0.000 0.458 248 K N 0.134 120.535 120.400 0.003 0.000 2.504 248 K HA -0.071 4.246 4.320 -0.005 0.000 0.195 248 K C 1.685 178.298 176.600 0.022 0.000 1.036 248 K CA 0.729 57.022 56.287 0.010 0.000 0.984 248 K CB 0.015 32.519 32.500 0.007 0.000 0.788 248 K HN 0.221 nan 8.250 nan 0.000 0.488 249 L N 1.377 122.611 121.223 0.018 0.000 2.607 249 L HA 0.146 4.483 4.340 -0.005 0.000 0.228 249 L C 0.074 176.970 176.870 0.044 0.000 1.123 249 L CA -0.197 54.670 54.840 0.045 0.000 0.890 249 L CB 0.030 42.107 42.059 0.030 0.000 1.103 249 L HN 0.198 nan 8.230 nan 0.000 0.468 250 E N 0.715 120.931 120.200 0.028 0.000 2.480 250 E HA 0.127 4.474 4.350 -0.005 0.000 0.258 250 E C 1.098 177.715 176.600 0.027 0.000 0.984 250 E CA 0.721 57.136 56.400 0.025 0.000 0.930 250 E CB 0.396 30.106 29.700 0.017 0.000 0.936 250 E HN 0.330 nan 8.360 nan 0.000 0.466 251 G N 2.897 111.714 108.800 0.027 0.000 2.179 251 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.260 251 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.260 251 G C 0.634 175.550 174.900 0.028 0.000 0.977 251 G CA 0.287 45.401 45.100 0.023 0.000 0.641 251 G HN 0.521 nan 8.290 nan 0.000 0.533 252 L N -0.358 120.891 121.223 0.044 0.000 2.701 252 L HA 0.457 4.794 4.340 -0.005 0.000 0.238 252 L C 1.126 178.034 176.870 0.064 0.000 1.106 252 L CA -0.049 54.823 54.840 0.054 0.000 0.898 252 L CB 0.215 42.323 42.059 0.081 0.000 1.188 252 L HN 0.115 nan 8.230 nan 0.000 0.508 253 L N 1.790 123.055 121.223 0.070 0.000 2.325 253 L HA 0.386 4.723 4.340 -0.005 0.000 0.279 253 L C -1.946 174.949 176.870 0.043 0.000 1.054 253 L CA -1.869 53.020 54.840 0.082 0.000 0.804 253 L CB 1.074 43.194 42.059 0.102 0.000 1.200 253 L HN -0.178 nan 8.230 nan 0.000 0.436 254 P HA 0.080 nan 4.420 nan 0.000 0.272 254 P C -0.085 177.226 177.300 0.020 0.000 1.240 254 P CA -0.311 62.796 63.100 0.013 0.000 0.791 254 P CB 0.857 32.555 31.700 -0.003 0.000 0.978 255 E N 0.303 120.510 120.200 0.011 0.000 2.204 255 E HA -0.197 4.150 4.350 -0.005 0.000 0.195 255 E C 1.030 177.638 176.600 0.013 0.000 0.990 255 E CA 1.535 57.942 56.400 0.011 0.000 0.821 255 E CB -0.260 29.444 29.700 0.006 0.000 0.750 255 E HN 0.585 nan 8.360 nan 0.000 0.477 256 D N 0.076 120.483 120.400 0.012 0.000 2.349 256 D HA -0.057 4.580 4.640 -0.005 0.000 0.224 256 D C 0.252 176.566 176.300 0.022 0.000 1.029 256 D CA 0.244 54.251 54.000 0.012 0.000 0.879 256 D CB -0.083 40.721 40.800 0.006 0.000 0.906 256 D HN 0.165 nan 8.370 nan 0.000 0.528 257 I N 1.199 121.790 120.570 0.035 0.000 2.442 257 I HA 0.381 4.548 4.170 -0.005 0.000 0.279 257 I C 0.911 177.049 176.117 0.036 0.000 1.081 257 I CA -0.871 60.459 61.300 0.049 0.000 1.197 257 I CB 1.277 39.337 38.000 0.100 0.000 1.394 257 I HN -0.084 nan 8.210 nan 0.000 0.488 258 G N 5.603 114.414 108.800 0.020 0.000 2.599 258 G HA2 0.273 4.229 3.960 -0.005 0.000 0.264 258 G HA3 0.273 4.229 3.960 -0.005 0.000 0.264 258 G C -1.412 173.495 174.900 0.011 0.000 1.200 258 G CA -0.955 44.154 45.100 0.014 0.000 0.896 258 G HN 0.336 nan 8.290 nan 0.000 0.536 259 P HA -0.057 nan 4.420 nan 0.000 0.219 259 P C 0.509 177.814 177.300 0.007 0.000 1.146 259 P CA 1.040 64.146 63.100 0.010 0.000 0.808 259 P CB 0.366 32.073 31.700 0.011 0.000 0.779 260 D N -0.865 119.539 120.400 0.006 0.000 2.339 260 D HA 0.059 4.695 4.640 -0.005 0.000 0.217 260 D C 0.293 176.587 176.300 -0.009 0.000 1.050 260 D CA 0.258 54.262 54.000 0.007 0.000 0.856 260 D CB -0.020 40.786 40.800 0.011 0.000 0.922 260 D HN 0.072 nan 8.370 nan 0.000 0.518 261 S N 2.465 118.154 115.700 -0.019 0.000 2.537 261 S HA 0.119 4.586 4.470 -0.005 0.000 0.286 261 S C -2.236 172.322 174.600 -0.069 0.000 1.299 261 S CA -0.833 57.338 58.200 -0.049 0.000 1.067 261 S CB 0.931 64.115 63.200 -0.027 0.000 0.864 261 S HN 0.057 nan 8.310 nan 0.000 0.494 262 P HA 0.238 nan 4.420 nan 0.000 0.269 262 P C -0.603 176.672 177.300 -0.043 0.000 1.215 262 P CA -0.265 62.743 63.100 -0.154 0.000 0.780 262 P CB 0.392 31.721 31.700 -0.619 0.000 0.898 263 M N 2.051 121.662 119.600 0.020 0.000 2.206 263 M HA 0.553 5.030 4.480 -0.005 0.000 0.272 263 M C -1.297 174.876 176.300 -0.213 0.000 1.012 263 M CA -0.799 54.436 55.300 -0.109 0.000 0.986 263 M CB 1.252 33.722 32.600 -0.216 0.000 1.740 263 M HN 0.339 nan 8.290 nan 0.000 0.472 264 A N 5.380 127.981 122.820 -0.366 0.000 2.477 264 A HA 0.607 4.923 4.320 -0.005 0.000 0.246 264 A C -0.519 176.753 177.584 -0.521 0.000 1.078 264 A CA -0.080 51.560 52.037 -0.661 0.000 0.770 264 A CB -0.070 18.496 19.000 -0.722 0.000 1.011 264 A HN 0.760 nan 8.150 nan 0.000 0.494 265 I N 2.580 122.800 120.570 -0.582 0.000 2.406 265 I HA 0.202 4.369 4.170 -0.005 0.000 0.290 265 I C -0.186 175.749 176.117 -0.305 0.000 0.999 265 I CA -0.688 60.340 61.300 -0.454 0.000 1.124 265 I CB 1.599 39.271 38.000 -0.546 0.000 1.289 265 I HN 0.759 nan 8.210 nan 0.000 0.441 266 N N 4.876 123.450 118.700 -0.209 0.000 2.462 266 N HA 0.157 4.894 4.740 -0.005 0.000 0.242 266 N C 0.645 176.099 175.510 -0.092 0.000 1.010 266 N CA -0.262 52.703 53.050 -0.142 0.000 0.939 266 N CB 0.898 39.312 38.487 -0.122 0.000 1.127 266 N HN 0.554 nan 8.380 nan 0.000 0.509 267 C N 1.992 121.246 119.300 -0.077 0.000 2.446 267 C HA 0.016 4.473 4.460 -0.005 0.000 0.277 267 C C 0.717 175.709 174.990 0.004 0.000 1.275 267 C CA 0.200 59.219 59.018 0.002 0.000 1.727 267 C CB -1.196 26.564 27.740 0.033 0.000 2.010 267 C HN 0.815 nan 8.230 nan 0.000 0.486 268 E N -0.381 119.772 120.200 -0.077 0.000 2.297 268 E HA -0.242 4.105 4.350 -0.005 0.000 0.228 268 E C -0.151 176.547 176.600 0.163 0.000 1.213 268 E CA 0.477 56.882 56.400 0.008 0.000 0.712 268 E CB -1.418 28.296 29.700 0.023 0.000 1.202 268 E HN 0.955 nan 8.360 nan 0.000 0.376 269 Y N -2.279 118.144 120.300 0.204 0.000 2.502 269 Y HA 0.369 4.916 4.550 -0.005 0.000 0.295 269 Y C 1.702 177.829 175.900 0.378 0.000 1.193 269 Y CA -0.082 58.172 58.100 0.256 0.000 1.295 269 Y CB -0.849 37.806 38.460 0.325 0.000 1.059 269 Y HN 0.047 nan 8.280 nan 0.000 0.514 270 G N 0.786 109.970 108.800 0.641 0.000 2.485 270 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.221 270 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.221 270 G C 1.562 176.687 174.900 0.374 0.000 1.115 270 G CA 1.201 46.605 45.100 0.507 0.000 0.751 270 G HN 0.554 nan 8.290 nan 0.000 0.567 271 S N -0.439 115.425 115.700 0.274 0.000 2.593 271 S HA 0.256 4.723 4.470 -0.005 0.000 0.217 271 S C 0.667 175.321 174.600 0.089 0.000 0.966 271 S CA -0.815 57.474 58.200 0.149 0.000 0.914 271 S CB -0.284 62.973 63.200 0.095 0.000 0.776 271 S HN 0.221 nan 8.310 nan 0.000 0.523 272 F N 3.964 123.881 119.950 -0.056 0.000 2.623 272 F HA 0.185 4.709 4.527 -0.005 0.000 0.383 272 F C 0.818 176.489 175.800 -0.214 0.000 1.077 272 F CA 0.197 57.992 58.000 -0.340 0.000 1.268 272 F CB -0.358 38.053 39.000 -0.982 0.000 1.053 272 F HN 0.306 nan 8.300 nan 0.000 0.571 273 D N 3.502 123.327 120.400 -0.959 0.000 2.870 273 D HA -0.270 4.367 4.640 -0.005 0.000 0.228 273 D C 0.760 176.778 176.300 -0.470 0.000 1.147 273 D CA 1.041 54.542 54.000 -0.831 0.000 0.757 273 D CB -1.400 38.708 40.800 -1.153 0.000 1.091 273 D HN 0.696 nan 8.370 nan 0.000 0.429 274 N N 0.276 118.753 118.700 -0.371 0.000 2.348 274 N HA -0.131 4.605 4.740 -0.005 0.000 0.185 274 N C 1.347 176.397 175.510 -0.766 0.000 1.019 274 N CA 1.036 53.812 53.050 -0.455 0.000 0.880 274 N CB -0.001 38.348 38.487 -0.231 0.000 0.965 274 N HN 0.550 nan 8.380 nan 0.000 0.437 275 E N 0.061 119.971 120.200 -0.484 0.000 2.347 275 E HA -0.097 4.249 4.350 -0.005 0.000 0.196 275 E C -0.363 176.046 176.600 -0.318 0.000 1.008 275 E CA 0.403 56.590 56.400 -0.355 0.000 0.852 275 E CB -0.255 29.341 29.700 -0.173 0.000 0.783 275 E HN 0.461 nan 8.360 nan 0.000 0.505 276 H N -0.968 118.018 119.070 -0.141 0.000 2.827 276 H HA -0.150 4.403 4.556 -0.005 0.000 0.330 276 H C 0.752 175.995 175.328 -0.142 0.000 1.236 276 H CA 0.655 56.621 56.048 -0.136 0.000 1.165 276 H CB -2.123 27.582 29.762 -0.094 0.000 1.532 276 H HN 0.215 nan 8.280 nan 0.000 0.434 277 L N -1.114 120.037 121.223 -0.120 0.000 2.672 277 L HA 0.160 4.497 4.340 -0.005 0.000 0.236 277 L C 1.908 178.651 176.870 -0.212 0.000 1.092 277 L CA 0.477 55.212 54.840 -0.175 0.000 0.887 277 L CB 0.675 42.581 42.059 -0.256 0.000 1.168 277 L HN 0.240 nan 8.230 nan 0.000 0.502 278 V N -0.870 118.927 119.914 -0.194 0.000 3.245 278 V HA 0.244 4.360 4.120 -0.005 0.000 0.246 278 V C 0.694 176.770 176.094 -0.029 0.000 1.487 278 V CA -0.147 62.077 62.300 -0.126 0.000 1.154 278 V CB 0.837 32.586 31.823 -0.123 0.000 0.971 278 V HN 0.021 nan 8.190 nan 0.000 0.443 279 L N 3.698 124.906 121.223 -0.026 0.000 2.456 279 L HA 0.267 4.604 4.340 -0.005 0.000 0.272 279 L C -1.749 175.138 176.870 0.030 0.000 1.189 279 L CA -0.946 53.927 54.840 0.055 0.000 0.846 279 L CB 0.243 42.353 42.059 0.085 0.000 1.111 279 L HN 0.211 nan 8.230 nan 0.000 0.475 280 P HA 0.123 nan 4.420 nan 0.000 0.220 280 P C -0.681 176.617 177.300 -0.004 0.000 1.806 280 P CA -0.265 62.840 63.100 0.009 0.000 0.976 280 P CB -0.107 31.605 31.700 0.021 0.000 1.952 281 R N 0.845 121.333 120.500 -0.020 0.000 2.401 281 R HA 0.213 4.550 4.340 -0.005 0.000 0.299 281 R C 1.210 177.466 176.300 -0.074 0.000 1.064 281 R CA 0.099 56.178 56.100 -0.035 0.000 1.000 281 R CB 0.215 30.471 30.300 -0.073 0.000 0.973 281 R HN 0.323 nan 8.270 nan 0.000 0.438 282 T N -1.180 113.334 114.554 -0.067 0.000 2.824 282 T HA 0.110 4.457 4.350 -0.005 0.000 0.277 282 T C 1.359 175.962 174.700 -0.162 0.000 0.975 282 T CA -0.855 61.165 62.100 -0.133 0.000 0.966 282 T CB 1.062 69.843 68.868 -0.145 0.000 1.054 282 T HN 0.649 nan 8.240 nan 0.000 0.533 283 K N -0.150 120.066 120.400 -0.306 0.000 2.160 283 K HA -0.223 4.094 4.320 -0.005 0.000 0.206 283 K C 1.641 178.035 176.600 -0.344 0.000 1.047 283 K CA 1.728 57.791 56.287 -0.373 0.000 0.930 283 K CB -0.819 31.385 32.500 -0.493 0.000 0.720 283 K HN 0.682 nan 8.250 nan 0.000 0.450 284 Y N 2.530 122.838 120.300 0.014 0.000 2.200 284 Y HA -0.123 4.424 4.550 -0.005 0.000 0.290 284 Y C 2.100 178.026 175.900 0.043 0.000 1.137 284 Y CA 1.254 59.390 58.100 0.059 0.000 1.163 284 Y CB -0.533 38.019 38.460 0.154 0.000 0.988 284 Y HN 0.137 nan 8.280 nan 0.000 0.518 285 D N -0.156 120.342 120.400 0.165 0.000 2.144 285 D HA -0.142 4.495 4.640 -0.005 0.000 0.199 285 D C 2.287 178.580 176.300 -0.012 0.000 0.984 285 D CA 1.466 55.508 54.000 0.070 0.000 0.834 285 D CB -0.300 40.532 40.800 0.052 0.000 0.955 285 D HN 0.229 nan 8.370 nan 0.000 0.465 286 V N 1.483 121.364 119.914 -0.055 0.000 2.358 286 V HA -0.203 3.914 4.120 -0.005 0.000 0.246 286 V C 2.567 178.634 176.094 -0.045 0.000 1.047 286 V CA 0.998 63.242 62.300 -0.093 0.000 1.035 286 V CB -0.319 31.427 31.823 -0.129 0.000 0.658 286 V HN 0.145 nan 8.190 nan 0.000 0.452 287 I N -0.359 120.201 120.570 -0.017 0.000 2.163 287 I HA -0.274 3.893 4.170 -0.005 0.000 0.243 287 I C 2.305 178.453 176.117 0.052 0.000 1.085 287 I CA 1.827 63.139 61.300 0.020 0.000 1.347 287 I CB -0.321 37.705 38.000 0.043 0.000 1.044 287 I HN 0.224 nan 8.210 nan 0.000 0.408 288 I N 0.539 121.149 120.570 0.067 0.000 2.163 288 I HA -0.353 3.814 4.170 -0.005 0.000 0.243 288 I C 2.304 178.481 176.117 0.100 0.000 1.085 288 I CA 1.641 63.004 61.300 0.105 0.000 1.347 288 I CB -0.428 37.631 38.000 0.099 0.000 1.044 288 I HN 0.307 nan 8.210 nan 0.000 0.408 289 D N 0.864 121.280 120.400 0.028 0.000 2.097 289 D HA -0.198 4.439 4.640 -0.005 0.000 0.195 289 D C 2.080 178.410 176.300 0.049 0.000 0.989 289 D CA 1.464 55.476 54.000 0.021 0.000 0.827 289 D CB -0.017 40.763 40.800 -0.032 0.000 0.966 289 D HN 0.321 nan 8.370 nan 0.000 0.456 290 E N -0.102 120.118 120.200 0.032 0.000 2.153 290 E HA -0.144 4.203 4.350 -0.005 0.000 0.194 290 E C 1.547 178.186 176.600 0.065 0.000 0.988 290 E CA 0.818 57.240 56.400 0.037 0.000 0.811 290 E CB -0.002 29.709 29.700 0.018 0.000 0.746 290 E HN 0.484 nan 8.360 nan 0.000 0.466 291 E N 0.625 120.881 120.200 0.093 0.000 2.474 291 E HA 0.018 4.365 4.350 -0.005 0.000 0.195 291 E C 0.339 177.042 176.600 0.171 0.000 1.039 291 E CA -0.178 56.296 56.400 0.123 0.000 0.881 291 E CB 0.570 30.348 29.700 0.130 0.000 0.970 291 E HN 0.075 nan 8.360 nan 0.000 0.486 292 S N 0.482 116.283 115.700 0.169 0.000 2.669 292 S HA 0.198 4.665 4.470 -0.005 0.000 0.270 292 S C -1.824 172.852 174.600 0.127 0.000 1.225 292 S CA -1.237 57.079 58.200 0.194 0.000 0.991 292 S CB 1.230 64.554 63.200 0.207 0.000 0.987 292 S HN -0.254 nan 8.310 nan 0.000 0.552 293 P HA 0.040 nan 4.420 nan 0.000 0.218 293 P C 0.072 177.411 177.300 0.066 0.000 1.149 293 P CA 1.016 64.159 63.100 0.071 0.000 0.817 293 P CB 0.083 31.812 31.700 0.048 0.000 0.785 294 R N -0.804 119.740 120.500 0.074 0.000 2.564 294 R HA 0.303 4.640 4.340 -0.005 0.000 0.282 294 R C -2.637 173.705 176.300 0.070 0.000 1.573 294 R CA -1.872 54.267 56.100 0.064 0.000 1.588 294 R CB 0.950 31.285 30.300 0.058 0.000 1.154 294 R HN 0.079 nan 8.270 nan 0.000 0.606 295 P HA 0.003 nan 4.420 nan 0.000 0.264 295 P C 0.803 178.148 177.300 0.076 0.000 1.193 295 P CA 0.916 64.057 63.100 0.067 0.000 0.763 295 P CB 0.905 32.638 31.700 0.056 0.000 0.810 296 G N 0.997 109.861 108.800 0.106 0.000 2.176 296 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.253 296 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.253 296 G C 0.071 175.024 174.900 0.088 0.000 0.979 296 G CA -0.314 44.878 45.100 0.153 0.000 0.641 296 G HN 0.521 nan 8.290 nan 0.000 0.530 297 Q N -0.305 119.540 119.800 0.076 0.000 2.248 297 Q HA 0.578 4.915 4.340 -0.005 0.000 0.263 297 Q C 0.643 176.688 176.000 0.075 0.000 1.007 297 Q CA -0.561 55.277 55.803 0.058 0.000 0.877 297 Q CB 0.972 29.743 28.738 0.055 0.000 1.315 297 Q HN 0.339 nan 8.270 nan 0.000 0.454 298 Q N -0.516 119.332 119.800 0.079 0.000 2.453 298 Q HA -0.251 4.086 4.340 -0.005 0.000 0.294 298 Q C 0.611 176.678 176.000 0.110 0.000 1.295 298 Q CA 0.847 56.716 55.803 0.110 0.000 0.853 298 Q CB -2.102 26.704 28.738 0.114 0.000 1.193 298 Q HN 0.832 nan 8.270 nan 0.000 0.461 299 A N -0.228 122.658 122.820 0.111 0.000 1.883 299 A HA -0.172 4.145 4.320 -0.005 0.000 0.217 299 A C 1.561 179.244 177.584 0.166 0.000 1.186 299 A CA 1.605 53.718 52.037 0.127 0.000 0.624 299 A CB -0.506 18.567 19.000 0.121 0.000 0.822 299 A HN 0.432 nan 8.150 nan 0.000 0.444 300 F N 0.637 120.619 119.950 0.052 0.000 2.186 300 F HA -0.066 4.458 4.527 -0.005 0.000 0.299 300 F C 2.163 178.053 175.800 0.150 0.000 1.090 300 F CA 1.789 59.863 58.000 0.125 0.000 1.307 300 F CB -0.363 38.767 39.000 0.217 0.000 1.019 300 F HN 0.452 nan 8.300 nan 0.000 0.489 301 E N 0.292 120.575 120.200 0.138 0.000 2.085 301 E HA -0.257 4.090 4.350 -0.005 0.000 0.194 301 E C 2.072 178.699 176.600 0.044 0.000 0.994 301 E CA 1.575 58.023 56.400 0.079 0.000 0.801 301 E CB -0.117 29.693 29.700 0.184 0.000 0.743 301 E HN 0.395 nan 8.360 nan 0.000 0.453 302 K N -0.551 119.806 120.400 -0.072 0.000 2.211 302 K HA -0.052 4.265 4.320 -0.005 0.000 0.203 302 K C 1.781 178.247 176.600 -0.223 0.000 1.050 302 K CA 0.967 56.998 56.287 -0.426 0.000 0.945 302 K CB 0.099 32.317 32.500 -0.469 0.000 0.732 302 K HN 0.235 nan 8.250 nan 0.000 0.451 303 M N -0.053 119.494 119.600 -0.087 0.000 2.509 303 M HA 0.006 4.483 4.480 -0.005 0.000 0.250 303 M C 1.515 177.783 176.300 -0.053 0.000 1.132 303 M CA 1.094 56.378 55.300 -0.026 0.000 1.080 303 M CB 0.150 32.778 32.600 0.047 0.000 1.408 303 M HN 0.191 nan 8.290 nan 0.000 0.484 304 T N -4.886 109.589 114.554 -0.132 0.000 2.969 304 T HA 0.139 4.486 4.350 -0.005 0.000 0.258 304 T C 0.878 175.584 174.700 0.009 0.000 0.962 304 T CA -0.075 61.946 62.100 -0.131 0.000 0.903 304 T CB 0.223 68.838 68.868 -0.422 0.000 1.177 304 T HN 0.141 nan 8.240 nan 0.000 0.511 305 S N 0.703 116.473 115.700 0.117 0.000 2.576 305 S HA 0.487 4.953 4.470 -0.005 0.000 0.276 305 S C 1.791 176.505 174.600 0.191 0.000 1.339 305 S CA 0.075 58.388 58.200 0.188 0.000 1.039 305 S CB 0.683 64.079 63.200 0.326 0.000 0.902 305 S HN 0.464 nan 8.310 nan 0.000 0.516 306 G N 2.640 111.501 108.800 0.101 0.000 2.448 306 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.219 306 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.219 306 G C 1.060 176.022 174.900 0.103 0.000 1.127 306 G CA 0.777 45.919 45.100 0.070 0.000 0.766 306 G HN 0.901 nan 8.290 nan 0.000 0.552 307 Y N 0.477 120.742 120.300 -0.059 0.000 2.315 307 Y HA -0.151 4.396 4.550 -0.005 0.000 0.288 307 Y C 1.813 177.592 175.900 -0.202 0.000 1.154 307 Y CA 1.322 59.289 58.100 -0.220 0.000 1.229 307 Y CB 0.003 38.172 38.460 -0.486 0.000 0.980 307 Y HN 0.328 nan 8.280 nan 0.000 0.540 308 Y N -1.451 118.931 120.300 0.137 0.000 2.458 308 Y HA 0.111 4.658 4.550 -0.005 0.000 0.256 308 Y C 1.823 177.725 175.900 0.003 0.000 1.159 308 Y CA -0.122 58.039 58.100 0.101 0.000 1.261 308 Y CB -0.017 38.554 38.460 0.184 0.000 1.119 308 Y HN 0.013 nan 8.280 nan 0.000 0.524 309 L N -0.688 120.600 121.223 0.109 0.000 2.046 309 L HA -0.134 4.202 4.340 -0.005 0.000 0.208 309 L C 2.581 179.453 176.870 0.004 0.000 1.077 309 L CA 1.561 56.433 54.840 0.054 0.000 0.747 309 L CB -0.932 41.159 42.059 0.054 0.000 0.896 309 L HN 0.358 nan 8.230 nan 0.000 0.432 310 G N -0.336 108.454 108.800 -0.017 0.000 2.408 310 G HA2 -0.290 3.666 3.960 -0.005 0.000 0.217 310 G HA3 -0.290 3.666 3.960 -0.005 0.000 0.217 310 G C 1.474 176.274 174.900 -0.167 0.000 1.150 310 G CA 0.774 45.824 45.100 -0.083 0.000 0.776 310 G HN 0.326 nan 8.290 nan 0.000 0.542 311 E N 0.662 120.744 120.200 -0.196 0.000 2.110 311 E HA -0.061 4.286 4.350 -0.005 0.000 0.193 311 E C 2.393 178.906 176.600 -0.144 0.000 0.988 311 E CA 0.703 56.929 56.400 -0.289 0.000 0.804 311 E CB -0.342 29.052 29.700 -0.510 0.000 0.745 311 E HN 0.514 nan 8.360 nan 0.000 0.458 312 I N 0.026 120.561 120.570 -0.058 0.000 2.163 312 I HA -0.331 3.836 4.170 -0.005 0.000 0.243 312 I C 2.507 178.536 176.117 -0.146 0.000 1.085 312 I CA 1.384 62.658 61.300 -0.043 0.000 1.347 312 I CB -0.329 37.652 38.000 -0.031 0.000 1.044 312 I HN 0.220 nan 8.210 nan 0.000 0.408 313 M N -0.312 119.199 119.600 -0.148 0.000 2.108 313 M HA -0.236 4.241 4.480 -0.005 0.000 0.261 313 M C 2.543 178.789 176.300 -0.090 0.000 1.066 313 M CA 1.688 56.911 55.300 -0.128 0.000 1.107 313 M CB -0.563 32.009 32.600 -0.046 0.000 1.356 313 M HN 0.177 nan 8.290 nan 0.000 0.406 314 R N 1.049 121.485 120.500 -0.107 0.000 2.081 314 R HA -0.142 4.195 4.340 -0.005 0.000 0.235 314 R C 1.977 178.251 176.300 -0.043 0.000 1.131 314 R CA 1.456 57.505 56.100 -0.086 0.000 0.960 314 R CB -0.284 29.913 30.300 -0.171 0.000 0.856 314 R HN 0.361 nan 8.270 nan 0.000 0.436 315 L N 0.020 121.208 121.223 -0.059 0.000 2.093 315 L HA -0.128 4.208 4.340 -0.005 0.000 0.208 315 L C 2.445 179.281 176.870 -0.056 0.000 1.085 315 L CA 0.702 55.554 54.840 0.021 0.000 0.755 315 L CB -0.282 41.864 42.059 0.145 0.000 0.904 315 L HN 0.062 nan 8.230 nan 0.000 0.435 316 V N 0.176 119.891 119.914 -0.332 0.000 2.295 316 V HA -0.278 3.839 4.120 -0.005 0.000 0.246 316 V C 2.385 178.408 176.094 -0.119 0.000 1.049 316 V CA 1.646 63.668 62.300 -0.463 0.000 1.024 316 V CB -0.335 31.207 31.823 -0.468 0.000 0.648 316 V HN 0.338 nan 8.190 nan 0.000 0.447 317 L N -0.897 120.300 121.223 -0.044 0.000 2.083 317 L HA -0.173 4.164 4.340 -0.005 0.000 0.209 317 L C 2.393 179.334 176.870 0.119 0.000 1.083 317 L CA 1.378 56.240 54.840 0.037 0.000 0.752 317 L CB -0.497 41.663 42.059 0.169 0.000 0.899 317 L HN 0.301 nan 8.230 nan 0.000 0.433 318 L N -0.482 120.826 121.223 0.141 0.000 2.083 318 L HA -0.234 4.103 4.340 -0.005 0.000 0.209 318 L C 2.294 179.301 176.870 0.229 0.000 1.083 318 L CA 1.115 56.079 54.840 0.207 0.000 0.752 318 L CB -0.482 41.670 42.059 0.154 0.000 0.899 318 L HN 0.297 nan 8.230 nan 0.000 0.433 319 D N 0.284 120.797 120.400 0.187 0.000 2.117 319 D HA -0.159 4.477 4.640 -0.005 0.000 0.197 319 D C 2.309 178.721 176.300 0.186 0.000 0.987 319 D CA 1.223 55.348 54.000 0.208 0.000 0.829 319 D CB -0.001 40.985 40.800 0.310 0.000 0.961 319 D HN 0.187 nan 8.370 nan 0.000 0.460 320 L N -0.447 120.868 121.223 0.153 0.000 2.131 320 L HA -0.170 4.167 4.340 -0.005 0.000 0.210 320 L C 2.361 179.327 176.870 0.161 0.000 1.092 320 L CA 0.914 55.856 54.840 0.170 0.000 0.759 320 L CB -0.523 41.555 42.059 0.031 0.000 0.903 320 L HN 0.146 nan 8.230 nan 0.000 0.435 321 Y N 1.033 121.347 120.300 0.024 0.000 2.200 321 Y HA -0.248 4.299 4.550 -0.005 0.000 0.290 321 Y C 2.231 178.157 175.900 0.042 0.000 1.137 321 Y CA 1.622 59.743 58.100 0.034 0.000 1.163 321 Y CB -0.185 38.342 38.460 0.112 0.000 0.988 321 Y HN 0.181 nan 8.280 nan 0.000 0.518 322 D N -0.663 119.714 120.400 -0.039 0.000 2.219 322 D HA -0.117 4.520 4.640 -0.005 0.000 0.205 322 D C 1.940 178.145 176.300 -0.158 0.000 0.970 322 D CA 1.472 55.395 54.000 -0.129 0.000 0.851 322 D CB -0.126 40.702 40.800 0.046 0.000 0.943 322 D HN 0.309 nan 8.370 nan 0.000 0.488 323 S N -0.907 114.743 115.700 -0.084 0.000 2.593 323 S HA 0.249 4.716 4.470 -0.005 0.000 0.217 323 S C 1.476 175.804 174.600 -0.452 0.000 0.966 323 S CA 0.517 58.632 58.200 -0.142 0.000 0.914 323 S CB 0.650 63.929 63.200 0.132 0.000 0.776 323 S HN 0.427 nan 8.310 nan 0.000 0.523 324 G N 0.660 109.225 108.800 -0.392 0.000 2.137 324 G HA2 -0.259 3.697 3.960 -0.005 0.000 0.237 324 G HA3 -0.259 3.697 3.960 -0.005 0.000 0.237 324 G C 0.339 174.990 174.900 -0.414 0.000 1.002 324 G CA 0.118 44.963 45.100 -0.424 0.000 0.702 324 G HN 0.513 nan 8.290 nan 0.000 0.515 325 F N 0.155 120.044 119.950 -0.102 0.000 2.505 325 F HA 0.434 4.958 4.527 -0.005 0.000 0.289 325 F C 1.686 177.422 175.800 -0.106 0.000 1.101 325 F CA 0.890 58.836 58.000 -0.089 0.000 1.446 325 F CB 0.245 39.193 39.000 -0.088 0.000 1.123 325 F HN 0.459 nan 8.300 nan 0.000 0.564 326 I N -6.272 114.318 120.570 0.033 0.000 3.095 326 I HA 0.414 4.581 4.170 -0.005 0.000 0.310 326 I C -0.653 175.487 176.117 0.038 0.000 1.196 326 I CA -1.273 59.946 61.300 -0.135 0.000 0.985 326 I CB 1.755 39.420 38.000 -0.557 0.000 1.250 326 I HN -0.107 nan 8.210 nan 0.000 0.446 327 F N 1.069 121.110 119.950 0.152 0.000 3.090 327 F HA -0.218 4.306 4.527 -0.005 0.000 0.282 327 F C 1.386 177.330 175.800 0.240 0.000 0.923 327 F CA 0.616 58.711 58.000 0.158 0.000 0.977 327 F CB -2.312 36.760 39.000 0.121 0.000 0.954 327 F HN 0.697 nan 8.300 nan 0.000 0.695 328 K N 0.070 120.656 120.400 0.310 0.000 2.063 328 K HA -0.172 4.145 4.320 -0.005 0.000 0.208 328 K C 1.099 177.828 176.600 0.215 0.000 1.048 328 K CA 1.766 58.181 56.287 0.214 0.000 0.928 328 K CB -0.073 32.481 32.500 0.089 0.000 0.713 328 K HN 0.363 nan 8.250 nan 0.000 0.442 329 D N 0.571 121.074 120.400 0.172 0.000 2.427 329 D HA 0.039 4.676 4.640 -0.005 0.000 0.224 329 D C -0.056 176.310 176.300 0.110 0.000 1.157 329 D CA 0.268 54.342 54.000 0.122 0.000 0.828 329 D CB 0.574 41.421 40.800 0.077 0.000 0.974 329 D HN 0.117 nan 8.370 nan 0.000 0.498 330 Q N 0.606 120.492 119.800 0.142 0.000 2.226 330 Q HA 0.178 4.515 4.340 -0.005 0.000 0.256 330 Q C -0.269 175.736 176.000 0.009 0.000 0.962 330 Q CA -0.428 55.405 55.803 0.050 0.000 0.887 330 Q CB 1.780 30.521 28.738 0.004 0.000 1.282 330 Q HN -0.026 nan 8.270 nan 0.000 0.449 331 D N 1.532 121.910 120.400 -0.038 0.000 2.339 331 D HA 0.123 4.760 4.640 -0.005 0.000 0.241 331 D C 0.072 176.293 176.300 -0.131 0.000 1.183 331 D CA -0.270 53.695 54.000 -0.059 0.000 0.859 331 D CB 0.589 41.367 40.800 -0.037 0.000 1.067 331 D HN 0.314 nan 8.370 nan 0.000 0.484 332 I N 2.715 123.168 120.570 -0.195 0.000 3.883 332 I HA -0.043 4.124 4.170 -0.005 0.000 0.326 332 I C 2.031 178.053 176.117 -0.159 0.000 1.283 332 I CA 0.380 61.515 61.300 -0.275 0.000 1.161 332 I CB -0.056 37.567 38.000 -0.629 0.000 1.012 332 I HN 0.291 nan 8.210 nan 0.000 0.421 333 S N 0.628 116.268 115.700 -0.101 0.000 2.372 333 S HA -0.282 4.185 4.470 -0.005 0.000 0.227 333 S C 1.988 176.551 174.600 -0.060 0.000 1.044 333 S CA 1.602 59.766 58.200 -0.060 0.000 1.050 333 S CB -0.226 62.951 63.200 -0.039 0.000 0.901 333 S HN 0.440 nan 8.310 nan 0.000 0.447 334 K N 0.229 120.585 120.400 -0.074 0.000 2.283 334 K HA 0.075 4.392 4.320 -0.005 0.000 0.202 334 K C 1.650 178.195 176.600 -0.092 0.000 1.048 334 K CA 0.406 56.648 56.287 -0.074 0.000 0.948 334 K CB -0.136 32.318 32.500 -0.078 0.000 0.742 334 K HN 0.139 nan 8.250 nan 0.000 0.458 335 L N 1.127 122.292 121.223 -0.097 0.000 2.478 335 L HA -0.040 4.297 4.340 -0.005 0.000 0.223 335 L C 1.095 177.926 176.870 -0.064 0.000 1.140 335 L CA 1.510 56.296 54.840 -0.091 0.000 0.842 335 L CB 0.013 42.040 42.059 -0.053 0.000 0.953 335 L HN -0.057 nan 8.230 nan 0.000 0.452 336 K N -0.303 120.068 120.400 -0.048 0.000 2.459 336 K HA -0.005 4.312 4.320 -0.005 0.000 0.193 336 K C 0.436 177.022 176.600 -0.023 0.000 1.030 336 K CA -0.015 56.259 56.287 -0.022 0.000 1.026 336 K CB 0.183 32.680 32.500 -0.004 0.000 0.809 336 K HN 0.301 nan 8.250 nan 0.000 0.504 337 E N 1.773 121.949 120.200 -0.040 0.000 2.180 337 E HA 0.181 4.528 4.350 -0.005 0.000 0.283 337 E C -0.835 175.742 176.600 -0.039 0.000 1.061 337 E CA -0.512 55.872 56.400 -0.026 0.000 0.861 337 E CB 0.735 30.419 29.700 -0.028 0.000 1.056 337 E HN 0.131 nan 8.360 nan 0.000 0.407 338 A N 4.550 127.371 122.820 0.001 0.000 2.546 338 A HA 0.011 4.327 4.320 -0.005 0.000 0.243 338 A C -0.329 177.292 177.584 0.061 0.000 1.063 338 A CA 0.354 52.383 52.037 -0.013 0.000 0.757 338 A CB -0.389 18.683 19.000 0.119 0.000 0.991 338 A HN 0.959 nan 8.150 nan 0.000 0.503 339 Y N -0.378 119.869 120.300 -0.089 0.000 4.798 339 Y HA -0.249 4.298 4.550 -0.005 0.000 0.237 339 Y C 1.543 177.339 175.900 -0.172 0.000 1.017 339 Y CA 0.879 58.888 58.100 -0.152 0.000 2.010 339 Y CB -2.107 36.274 38.460 -0.131 0.000 1.582 339 Y HN 0.495 nan 8.280 nan 0.000 0.621 340 V N 0.401 120.247 119.914 -0.114 0.000 2.490 340 V HA -0.198 3.919 4.120 -0.005 0.000 0.250 340 V C 1.272 177.152 176.094 -0.355 0.000 1.061 340 V CA 2.231 64.431 62.300 -0.168 0.000 1.064 340 V CB -0.141 31.579 31.823 -0.172 0.000 0.670 340 V HN 0.315 nan 8.190 nan 0.000 0.461 341 M N 1.863 121.151 119.600 -0.519 0.000 2.111 341 M HA 0.279 4.756 4.480 -0.005 0.000 0.351 341 M C -0.175 175.916 176.300 -0.347 0.000 1.214 341 M CA -0.489 54.289 55.300 -0.871 0.000 1.120 341 M CB 0.694 32.761 32.600 -0.888 0.000 1.443 341 M HN 0.412 nan 8.290 nan 0.000 0.429 342 D N 0.870 121.212 120.400 -0.095 0.000 2.478 342 D HA 0.191 4.828 4.640 -0.005 0.000 0.274 342 D C 0.848 177.199 176.300 0.085 0.000 1.234 342 D CA -0.539 53.455 54.000 -0.011 0.000 1.069 342 D CB 0.207 41.025 40.800 0.031 0.000 1.113 342 D HN 0.377 nan 8.370 nan 0.000 0.571 343 T N -1.129 113.465 114.554 0.066 0.000 2.849 343 T HA -0.179 4.168 4.350 -0.005 0.000 0.270 343 T C 1.794 176.592 174.700 0.162 0.000 1.066 343 T CA 1.651 63.832 62.100 0.134 0.000 1.130 343 T CB -0.602 68.347 68.868 0.135 0.000 0.864 343 T HN 0.574 nan 8.240 nan 0.000 0.481 344 S N 0.404 116.182 115.700 0.131 0.000 2.447 344 S HA -0.110 4.357 4.470 -0.005 0.000 0.233 344 S C 1.663 176.275 174.600 0.021 0.000 1.006 344 S CA 0.472 58.701 58.200 0.048 0.000 0.957 344 S CB -0.651 62.544 63.200 -0.008 0.000 0.773 344 S HN 0.504 nan 8.310 nan 0.000 0.507 345 Y N 2.956 123.244 120.300 -0.021 0.000 2.092 345 Y HA 0.081 4.628 4.550 -0.005 0.000 0.282 345 Y C -0.236 175.681 175.900 0.028 0.000 1.126 345 Y CA 1.069 59.156 58.100 -0.022 0.000 1.111 345 Y CB -1.706 36.716 38.460 -0.064 0.000 0.987 345 Y HN 0.264 nan 8.280 nan 0.000 0.489 346 P HA -0.113 nan 4.420 nan 0.000 0.219 346 P C 1.430 178.761 177.300 0.052 0.000 1.146 346 P CA 1.859 65.074 63.100 0.192 0.000 0.808 346 P CB 0.043 31.915 31.700 0.285 0.000 0.779 347 S N 0.636 116.309 115.700 -0.044 0.000 2.348 347 S HA -0.117 4.350 4.470 -0.005 0.000 0.221 347 S C 1.894 176.381 174.600 -0.188 0.000 1.033 347 S CA 1.368 59.378 58.200 -0.316 0.000 1.010 347 S CB -0.615 62.438 63.200 -0.246 0.000 0.891 347 S HN 0.277 nan 8.310 nan 0.000 0.442 348 K N 0.684 121.020 120.400 -0.107 0.000 2.147 348 K HA 0.017 4.334 4.320 -0.005 0.000 0.205 348 K C 1.949 178.530 176.600 -0.030 0.000 1.049 348 K CA 1.076 57.313 56.287 -0.082 0.000 0.936 348 K CB -0.306 32.126 32.500 -0.113 0.000 0.722 348 K HN 0.334 nan 8.250 nan 0.000 0.446 349 I N 1.130 121.706 120.570 0.011 0.000 2.202 349 I HA -0.225 3.941 4.170 -0.005 0.000 0.242 349 I C 2.184 178.317 176.117 0.027 0.000 1.091 349 I CA 1.231 62.568 61.300 0.061 0.000 1.368 349 I CB -0.153 37.924 38.000 0.129 0.000 1.058 349 I HN 0.174 nan 8.210 nan 0.000 0.410 350 E N 0.456 120.651 120.200 -0.009 0.000 2.153 350 E HA -0.230 4.117 4.350 -0.005 0.000 0.194 350 E C 1.216 177.787 176.600 -0.049 0.000 0.988 350 E CA 1.030 57.415 56.400 -0.025 0.000 0.811 350 E CB -0.070 29.598 29.700 -0.053 0.000 0.746 350 E HN 0.418 nan 8.360 nan 0.000 0.466 351 D N 0.874 121.229 120.400 -0.075 0.000 2.355 351 D HA -0.062 4.575 4.640 -0.005 0.000 0.218 351 D C 0.130 176.400 176.300 -0.050 0.000 1.004 351 D CA 0.284 54.239 54.000 -0.074 0.000 0.880 351 D CB -0.152 40.593 40.800 -0.093 0.000 0.911 351 D HN -0.020 nan 8.370 nan 0.000 0.528 352 D N 0.958 121.352 120.400 -0.010 0.000 2.451 352 D HA -0.046 4.591 4.640 -0.005 0.000 0.254 352 D C -1.463 174.818 176.300 -0.030 0.000 1.204 352 D CA -0.993 53.029 54.000 0.037 0.000 0.896 352 D CB 1.373 42.230 40.800 0.095 0.000 1.136 352 D HN 0.116 nan 8.370 nan 0.000 0.499 353 P HA 0.062 nan 4.420 nan 0.000 0.251 353 P C -0.018 177.093 177.300 -0.316 0.000 1.223 353 P CA -0.101 62.819 63.100 -0.300 0.000 0.796 353 P CB 0.088 31.505 31.700 -0.472 0.000 1.068 354 F N 0.947 120.892 119.950 -0.009 0.000 2.396 354 F HA 0.186 4.710 4.527 -0.005 0.000 0.343 354 F C 2.068 177.864 175.800 -0.006 0.000 1.104 354 F CA -0.583 57.413 58.000 -0.007 0.000 1.161 354 F CB 0.891 39.887 39.000 -0.007 0.000 1.146 354 F HN -0.202 nan 8.300 nan 0.000 0.522 355 E N 1.650 121.956 120.200 0.177 0.000 2.118 355 E HA -0.234 4.113 4.350 -0.005 0.000 0.195 355 E C 1.047 177.704 176.600 0.095 0.000 0.992 355 E CA 1.764 58.224 56.400 0.102 0.000 0.804 355 E CB -0.134 29.611 29.700 0.076 0.000 0.741 355 E HN 0.474 nan 8.360 nan 0.000 0.458 356 N N 0.090 118.859 118.700 0.115 0.000 2.268 356 N HA 0.119 4.856 4.740 -0.005 0.000 0.204 356 N C -0.264 175.278 175.510 0.054 0.000 1.124 356 N CA 0.140 53.224 53.050 0.057 0.000 0.838 356 N CB 0.198 38.694 38.487 0.015 0.000 0.994 356 N HN 0.166 nan 8.380 nan 0.000 0.489 357 L N 0.730 122.029 121.223 0.126 0.000 3.677 357 L HA -0.276 4.060 4.340 -0.005 0.000 0.464 357 L C 0.978 177.886 176.870 0.065 0.000 1.278 357 L CA 0.216 55.131 54.840 0.125 0.000 0.806 357 L CB -1.300 40.800 42.059 0.068 0.000 1.610 357 L HN 0.267 nan 8.230 nan 0.000 0.867 358 E N -0.371 119.821 120.200 -0.013 0.000 2.150 358 E HA -0.188 4.158 4.350 -0.005 0.000 0.193 358 E C 1.307 177.853 176.600 -0.091 0.000 0.985 358 E CA 1.350 57.618 56.400 -0.220 0.000 0.814 358 E CB 0.068 29.333 29.700 -0.725 0.000 0.752 358 E HN 0.622 nan 8.360 nan 0.000 0.466 359 D N 0.368 120.817 120.400 0.080 0.000 2.117 359 D HA -0.113 4.524 4.640 -0.005 0.000 0.197 359 D C 1.943 178.285 176.300 0.070 0.000 0.987 359 D CA 1.302 55.358 54.000 0.094 0.000 0.829 359 D CB -0.466 40.429 40.800 0.157 0.000 0.961 359 D HN 0.072 nan 8.370 nan 0.000 0.460 360 T N 0.586 115.200 114.554 0.100 0.000 2.746 360 T HA -0.175 4.172 4.350 -0.005 0.000 0.267 360 T C 1.505 176.311 174.700 0.177 0.000 1.039 360 T CA 1.472 63.665 62.100 0.155 0.000 1.142 360 T CB -0.301 68.635 68.868 0.114 0.000 0.866 360 T HN 0.098 nan 8.240 nan 0.000 0.444 361 D N 1.206 121.648 120.400 0.070 0.000 2.092 361 D HA -0.126 4.511 4.640 -0.005 0.000 0.193 361 D C 1.810 178.147 176.300 0.060 0.000 0.994 361 D CA 1.189 55.215 54.000 0.043 0.000 0.828 361 D CB -0.359 40.429 40.800 -0.020 0.000 0.963 361 D HN 0.191 nan 8.370 nan 0.000 0.450 362 D N -0.226 120.185 120.400 0.017 0.000 2.104 362 D HA -0.155 4.481 4.640 -0.005 0.000 0.194 362 D C 2.116 178.417 176.300 0.003 0.000 0.994 362 D CA 0.520 54.517 54.000 -0.005 0.000 0.830 362 D CB -0.587 40.193 40.800 -0.032 0.000 0.959 362 D HN 0.221 nan 8.370 nan 0.000 0.452 363 L N -0.251 120.978 121.223 0.011 0.000 2.013 363 L HA -0.174 4.162 4.340 -0.005 0.000 0.212 363 L C 2.103 178.942 176.870 -0.052 0.000 1.073 363 L CA 1.631 56.422 54.840 -0.082 0.000 0.753 363 L CB -0.656 41.326 42.059 -0.128 0.000 0.890 363 L HN -0.076 nan 8.230 nan 0.000 0.432 364 F N -0.211 119.721 119.950 -0.031 0.000 2.163 364 F HA -0.122 4.402 4.527 -0.005 0.000 0.297 364 F C 2.426 178.183 175.800 -0.071 0.000 1.094 364 F CA 1.411 59.393 58.000 -0.029 0.000 1.290 364 F CB -0.409 38.554 39.000 -0.061 0.000 1.017 364 F HN 0.011 nan 8.300 nan 0.000 0.483 365 K N -0.542 119.916 120.400 0.097 0.000 2.002 365 K HA -0.177 4.140 4.320 -0.005 0.000 0.209 365 K C 2.271 178.864 176.600 -0.012 0.000 1.048 365 K CA 2.039 58.338 56.287 0.019 0.000 0.930 365 K CB -0.639 31.864 32.500 0.005 0.000 0.714 365 K HN 0.317 nan 8.250 nan 0.000 0.438 366 T N -0.353 114.189 114.554 -0.021 0.000 3.014 366 T HA 0.004 4.351 4.350 -0.005 0.000 0.263 366 T C 1.468 176.145 174.700 -0.039 0.000 1.078 366 T CA 0.852 62.933 62.100 -0.033 0.000 1.135 366 T CB 0.027 68.873 68.868 -0.037 0.000 0.895 366 T HN 0.046 nan 8.240 nan 0.000 0.480 367 N N 0.632 119.303 118.700 -0.049 0.000 2.432 367 N HA 0.267 5.004 4.740 -0.005 0.000 0.174 367 N C 1.440 176.927 175.510 -0.038 0.000 1.037 367 N CA 0.594 53.625 53.050 -0.033 0.000 0.892 367 N CB 0.304 38.780 38.487 -0.017 0.000 1.049 367 N HN 0.410 nan 8.380 nan 0.000 0.442 368 L N -0.209 120.973 121.223 -0.069 0.000 2.817 368 L HA 0.273 4.610 4.340 -0.005 0.000 0.248 368 L C -0.056 176.763 176.870 -0.085 0.000 1.133 368 L CA -0.014 54.767 54.840 -0.099 0.000 0.935 368 L CB 0.140 42.092 42.059 -0.180 0.000 1.266 368 L HN 0.029 nan 8.230 nan 0.000 0.535 369 N N 1.435 120.099 118.700 -0.061 0.000 2.754 369 N HA -0.164 4.573 4.740 -0.005 0.000 0.248 369 N C -0.364 175.097 175.510 -0.081 0.000 1.093 369 N CA 0.498 53.513 53.050 -0.058 0.000 0.699 369 N CB -0.743 37.711 38.487 -0.055 0.000 1.016 369 N HN 0.302 nan 8.380 nan 0.000 0.552 370 I N 1.239 121.758 120.570 -0.085 0.000 2.410 370 I HA 0.198 4.365 4.170 -0.005 0.000 0.286 370 I C 0.209 176.259 176.117 -0.111 0.000 1.009 370 I CA -0.462 60.736 61.300 -0.169 0.000 1.111 370 I CB 1.613 39.404 38.000 -0.348 0.000 1.262 370 I HN -0.046 nan 8.210 nan 0.000 0.443 371 E N 4.502 124.644 120.200 -0.097 0.000 2.283 371 E HA 0.392 4.738 4.350 -0.005 0.000 0.278 371 E C -0.397 176.177 176.600 -0.042 0.000 1.027 371 E CA -0.332 56.038 56.400 -0.050 0.000 0.843 371 E CB 1.464 31.152 29.700 -0.021 0.000 1.062 371 E HN 0.610 nan 8.360 nan 0.000 0.401 372 T N -0.843 113.701 114.554 -0.016 0.000 2.907 372 T HA 0.473 4.820 4.350 -0.005 0.000 0.292 372 T C 0.149 174.868 174.700 0.031 0.000 1.043 372 T CA -1.104 61.018 62.100 0.036 0.000 1.003 372 T CB 1.565 70.419 68.868 -0.023 0.000 1.084 372 T HN 0.433 nan 8.240 nan 0.000 0.483 373 T N -0.727 113.858 114.554 0.050 0.000 2.847 373 T HA 0.398 4.745 4.350 -0.005 0.000 0.279 373 T C 1.526 176.229 174.700 0.006 0.000 0.984 373 T CA -0.647 61.468 62.100 0.025 0.000 0.988 373 T CB 0.764 69.650 68.868 0.030 0.000 1.040 373 T HN 0.386 nan 8.240 nan 0.000 0.528 374 V N 1.707 121.621 119.914 0.000 0.000 2.332 374 V HA -0.183 3.934 4.120 -0.005 0.000 0.248 374 V C 2.935 179.024 176.094 -0.009 0.000 1.055 374 V CA 2.170 64.468 62.300 -0.004 0.000 1.038 374 V CB -1.161 30.662 31.823 -0.001 0.000 0.651 374 V HN 0.894 nan 8.190 nan 0.000 0.450 375 V N -1.521 118.388 119.914 -0.008 0.000 2.407 375 V HA -0.240 3.877 4.120 -0.005 0.000 0.248 375 V C 2.127 178.201 176.094 -0.033 0.000 1.055 375 V CA 2.083 64.372 62.300 -0.019 0.000 1.049 375 V CB -0.887 30.927 31.823 -0.016 0.000 0.662 375 V HN 0.581 nan 8.190 nan 0.000 0.455 376 E N 0.459 120.644 120.200 -0.026 0.000 2.072 376 E HA -0.146 4.201 4.350 -0.005 0.000 0.191 376 E C 2.493 179.054 176.600 -0.066 0.000 0.985 376 E CA 1.395 57.766 56.400 -0.048 0.000 0.801 376 E CB -0.191 29.517 29.700 0.013 0.000 0.750 376 E HN 0.583 nan 8.360 nan 0.000 0.452 377 R N 0.801 121.268 120.500 -0.054 0.000 2.120 377 R HA -0.087 4.250 4.340 -0.005 0.000 0.234 377 R C 2.172 178.447 176.300 -0.042 0.000 1.123 377 R CA 0.927 56.985 56.100 -0.070 0.000 0.975 377 R CB -0.097 30.175 30.300 -0.047 0.000 0.866 377 R HN 0.068 nan 8.270 nan 0.000 0.446 378 K N 0.786 121.167 120.400 -0.032 0.000 2.097 378 K HA -0.119 4.198 4.320 -0.005 0.000 0.205 378 K C 2.145 178.724 176.600 -0.036 0.000 1.050 378 K CA 0.920 57.192 56.287 -0.024 0.000 0.938 378 K CB -0.151 32.337 32.500 -0.021 0.000 0.718 378 K HN 0.137 nan 8.250 nan 0.000 0.442 379 L N 1.201 122.390 121.223 -0.058 0.000 2.027 379 L HA -0.161 4.176 4.340 -0.005 0.000 0.206 379 L C 2.099 178.933 176.870 -0.059 0.000 1.074 379 L CA 1.281 56.078 54.840 -0.072 0.000 0.745 379 L CB -0.120 41.875 42.059 -0.106 0.000 0.898 379 L HN 0.125 nan 8.230 nan 0.000 0.433 380 I N -0.307 120.225 120.570 -0.063 0.000 2.208 380 I HA -0.308 3.859 4.170 -0.005 0.000 0.245 380 I C 2.737 178.861 176.117 0.010 0.000 1.097 380 I CA 1.305 62.586 61.300 -0.032 0.000 1.363 380 I CB -0.314 37.634 38.000 -0.087 0.000 1.051 380 I HN 0.311 nan 8.210 nan 0.000 0.413 381 R N 1.744 122.248 120.500 0.007 0.000 2.075 381 R HA -0.204 4.133 4.340 -0.005 0.000 0.232 381 R C 2.120 178.432 176.300 0.019 0.000 1.126 381 R CA 1.758 57.874 56.100 0.026 0.000 0.963 381 R CB -0.446 29.869 30.300 0.024 0.000 0.858 381 R HN 0.055 nan 8.270 nan 0.000 0.435 382 K N 0.243 120.645 120.400 0.003 0.000 2.032 382 K HA -0.125 4.192 4.320 -0.005 0.000 0.209 382 K C 1.882 178.479 176.600 -0.005 0.000 1.048 382 K CA 1.671 57.960 56.287 0.003 0.000 0.927 382 K CB -0.755 31.741 32.500 -0.007 0.000 0.712 382 K HN 0.248 nan 8.250 nan 0.000 0.441 383 L N 0.396 121.602 121.223 -0.028 0.000 2.042 383 L HA -0.055 4.282 4.340 -0.005 0.000 0.210 383 L C 2.109 178.927 176.870 -0.087 0.000 1.076 383 L CA 2.294 57.085 54.840 -0.081 0.000 0.749 383 L CB -1.114 40.889 42.059 -0.093 0.000 0.893 383 L HN 0.249 nan 8.230 nan 0.000 0.432 384 A N -0.815 121.999 122.820 -0.009 0.000 1.902 384 A HA -0.230 4.087 4.320 -0.005 0.000 0.217 384 A C 2.162 179.788 177.584 0.069 0.000 1.181 384 A CA 1.807 53.871 52.037 0.045 0.000 0.623 384 A CB -0.664 18.395 19.000 0.097 0.000 0.818 384 A HN 0.615 nan 8.150 nan 0.000 0.443 385 E N -0.169 120.066 120.200 0.058 0.000 2.077 385 E HA -0.161 4.186 4.350 -0.005 0.000 0.193 385 E C 1.957 178.587 176.600 0.049 0.000 0.989 385 E CA 1.196 57.640 56.400 0.073 0.000 0.800 385 E CB -0.310 29.423 29.700 0.055 0.000 0.746 385 E HN 0.624 nan 8.360 nan 0.000 0.452 386 L N 0.367 121.596 121.223 0.010 0.000 2.017 386 L HA -0.196 4.141 4.340 -0.005 0.000 0.208 386 L C 2.454 179.302 176.870 -0.036 0.000 1.073 386 L CA 0.837 55.683 54.840 0.009 0.000 0.745 386 L CB -0.360 41.709 42.059 0.017 0.000 0.894 386 L HN 0.069 nan 8.230 nan 0.000 0.432 387 V N -0.129 119.698 119.914 -0.146 0.000 2.379 387 V HA -0.152 3.965 4.120 -0.005 0.000 0.245 387 V C 2.579 178.640 176.094 -0.055 0.000 1.044 387 V CA 1.876 64.070 62.300 -0.175 0.000 1.036 387 V CB -1.038 30.625 31.823 -0.265 0.000 0.664 387 V HN 0.557 nan 8.190 nan 0.000 0.453 388 G N -0.494 108.304 108.800 -0.004 0.000 2.418 388 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.217 388 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.217 388 G C 1.704 176.588 174.900 -0.026 0.000 1.158 388 G CA 1.547 46.613 45.100 -0.057 0.000 0.771 388 G HN 0.463 nan 8.290 nan 0.000 0.545 389 T N 0.016 114.583 114.554 0.022 0.000 2.777 389 T HA -0.049 4.298 4.350 -0.005 0.000 0.266 389 T C 2.313 177.020 174.700 0.013 0.000 1.040 389 T CA 1.130 63.235 62.100 0.009 0.000 1.141 389 T CB -0.086 68.802 68.868 0.034 0.000 0.868 389 T HN 0.297 nan 8.240 nan 0.000 0.444 390 R N 0.965 121.493 120.500 0.047 0.000 2.091 390 R HA -0.082 4.255 4.340 -0.005 0.000 0.238 390 R C 2.572 178.912 176.300 0.067 0.000 1.136 390 R CA 1.525 57.674 56.100 0.082 0.000 0.959 390 R CB -0.457 29.934 30.300 0.153 0.000 0.856 390 R HN 0.367 nan 8.270 nan 0.000 0.437 391 A N 0.707 123.555 122.820 0.047 0.000 1.902 391 A HA -0.118 4.199 4.320 -0.005 0.000 0.217 391 A C 2.377 180.014 177.584 0.089 0.000 1.181 391 A CA 1.736 53.810 52.037 0.061 0.000 0.623 391 A CB -0.837 18.188 19.000 0.043 0.000 0.818 391 A HN 0.555 nan 8.150 nan 0.000 0.443 392 A N -0.251 122.579 122.820 0.017 0.000 1.908 392 A HA -0.188 4.129 4.320 -0.005 0.000 0.218 392 A C 2.254 179.817 177.584 -0.036 0.000 1.181 392 A CA 1.684 53.630 52.037 -0.150 0.000 0.627 392 A CB -0.463 18.224 19.000 -0.521 0.000 0.818 392 A HN 0.558 nan 8.150 nan 0.000 0.445 393 R N -0.642 119.855 120.500 -0.005 0.000 2.092 393 R HA 0.023 4.360 4.340 -0.005 0.000 0.231 393 R C 2.043 178.391 176.300 0.081 0.000 1.119 393 R CA 1.321 57.436 56.100 0.025 0.000 0.970 393 R CB -0.430 29.886 30.300 0.027 0.000 0.864 393 R HN 0.512 nan 8.270 nan 0.000 0.440 394 L N -0.314 120.981 121.223 0.121 0.000 2.093 394 L HA -0.138 4.199 4.340 -0.005 0.000 0.208 394 L C 2.269 179.318 176.870 0.299 0.000 1.085 394 L CA 1.241 56.216 54.840 0.226 0.000 0.755 394 L CB -0.626 41.563 42.059 0.216 0.000 0.904 394 L HN 0.211 nan 8.230 nan 0.000 0.435 395 T N 0.063 114.725 114.554 0.181 0.000 2.684 395 T HA -0.169 4.178 4.350 -0.005 0.000 0.267 395 T C 1.847 176.668 174.700 0.202 0.000 1.036 395 T CA 1.794 64.021 62.100 0.213 0.000 1.148 395 T CB -0.309 68.696 68.868 0.229 0.000 0.863 395 T HN 0.356 nan 8.240 nan 0.000 0.436 396 V N -0.441 119.552 119.914 0.132 0.000 3.078 396 V HA -0.068 4.049 4.120 -0.005 0.000 0.265 396 V C 2.352 178.445 176.094 -0.002 0.000 1.122 396 V CA 0.800 63.147 62.300 0.078 0.000 1.141 396 V CB -1.772 30.095 31.823 0.074 0.000 0.735 396 V HN 0.536 nan 8.190 nan 0.000 0.498 397 C N 1.771 121.080 119.300 0.015 0.000 2.422 397 C HA 0.051 4.508 4.460 -0.005 0.000 0.279 397 C C 3.004 177.719 174.990 -0.459 0.000 1.305 397 C CA 1.052 60.006 59.018 -0.105 0.000 1.757 397 C CB -1.787 25.989 27.740 0.060 0.000 1.962 397 C HN 0.707 nan 8.230 nan 0.000 0.499 398 G N 0.360 108.825 108.800 -0.558 0.000 2.402 398 G HA2 -0.126 3.831 3.960 -0.005 0.000 0.216 398 G HA3 -0.126 3.831 3.960 -0.005 0.000 0.216 398 G C 1.669 176.210 174.900 -0.597 0.000 1.162 398 G CA 1.236 45.623 45.100 -1.187 0.000 0.777 398 G HN 0.390 nan 8.290 nan 0.000 0.539 399 V N 0.855 120.639 119.914 -0.217 0.000 2.261 399 V HA -0.194 3.922 4.120 -0.005 0.000 0.246 399 V C 3.028 179.080 176.094 -0.070 0.000 1.047 399 V CA 2.313 64.579 62.300 -0.057 0.000 1.015 399 V CB -0.612 31.249 31.823 0.063 0.000 0.642 399 V HN 0.484 nan 8.190 nan 0.000 0.446 400 S N -0.327 115.330 115.700 -0.072 0.000 2.382 400 S HA -0.193 4.274 4.470 -0.005 0.000 0.228 400 S C 2.103 176.630 174.600 -0.122 0.000 1.027 400 S CA 1.652 59.850 58.200 -0.004 0.000 0.991 400 S CB -0.346 62.796 63.200 -0.097 0.000 0.823 400 S HN 0.612 nan 8.310 nan 0.000 0.469 401 A N 1.368 123.993 122.820 -0.326 0.000 1.877 401 A HA 0.003 4.320 4.320 -0.005 0.000 0.216 401 A C 2.133 179.518 177.584 -0.331 0.000 1.186 401 A CA 1.563 53.376 52.037 -0.375 0.000 0.620 401 A CB -0.811 17.788 19.000 -0.669 0.000 0.822 401 A HN 0.617 nan 8.150 nan 0.000 0.443 402 I N -0.620 119.722 120.570 -0.379 0.000 2.179 402 I HA -0.327 3.840 4.170 -0.005 0.000 0.242 402 I C 2.510 178.446 176.117 -0.303 0.000 1.088 402 I CA 1.221 62.266 61.300 -0.424 0.000 1.357 402 I CB -0.401 37.343 38.000 -0.426 0.000 1.051 402 I HN 0.391 nan 8.210 nan 0.000 0.409 403 C N 0.535 119.773 119.300 -0.104 0.000 2.446 403 C HA -0.148 4.309 4.460 -0.005 0.000 0.277 403 C C 2.404 177.323 174.990 -0.118 0.000 1.275 403 C CA 0.745 59.760 59.018 -0.005 0.000 1.727 403 C CB -1.016 26.823 27.740 0.165 0.000 2.010 403 C HN 0.519 nan 8.230 nan 0.000 0.486 404 D N 0.603 120.963 120.400 -0.067 0.000 2.144 404 D HA -0.112 4.525 4.640 -0.005 0.000 0.200 404 D C 2.156 178.377 176.300 -0.133 0.000 0.978 404 D CA 0.911 54.878 54.000 -0.054 0.000 0.833 404 D CB -0.469 40.323 40.800 -0.014 0.000 0.961 404 D HN 0.509 nan 8.370 nan 0.000 0.470 405 K N 0.449 120.733 120.400 -0.192 0.000 2.032 405 K HA -0.119 4.198 4.320 -0.005 0.000 0.209 405 K C 1.545 178.009 176.600 -0.226 0.000 1.048 405 K CA 1.010 57.183 56.287 -0.191 0.000 0.927 405 K CB 0.256 32.621 32.500 -0.225 0.000 0.712 405 K HN -0.077 nan 8.250 nan 0.000 0.441 406 R N -0.907 119.350 120.500 -0.405 0.000 2.300 406 R HA 0.074 4.411 4.340 -0.005 0.000 0.199 406 R C 0.829 176.837 176.300 -0.488 0.000 0.920 406 R CA 0.805 56.581 56.100 -0.540 0.000 1.046 406 R CB 0.435 30.091 30.300 -1.073 0.000 0.984 406 R HN 0.541 nan 8.270 nan 0.000 0.493 407 G N 1.400 110.005 108.800 -0.326 0.000 2.160 407 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.244 407 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.244 407 G C -0.630 174.264 174.900 -0.011 0.000 1.022 407 G CA -0.131 44.894 45.100 -0.125 0.000 0.741 407 G HN 0.208 nan 8.290 nan 0.000 0.508 408 Y N 0.385 120.687 120.300 0.003 0.000 2.486 408 Y HA 0.419 4.966 4.550 -0.005 0.000 0.348 408 Y C 1.542 177.429 175.900 -0.022 0.000 1.000 408 Y CA -1.363 56.731 58.100 -0.009 0.000 1.253 408 Y CB 0.943 39.402 38.460 -0.002 0.000 1.140 408 Y HN 0.017 nan 8.280 nan 0.000 0.526 409 K N 1.089 121.560 120.400 0.118 0.000 2.323 409 K HA 0.074 4.391 4.320 -0.005 0.000 0.197 409 K C 0.519 177.109 176.600 -0.017 0.000 1.043 409 K CA 0.521 56.827 56.287 0.031 0.000 0.997 409 K CB 0.150 32.660 32.500 0.017 0.000 0.807 409 K HN 0.706 nan 8.250 nan 0.000 0.497 410 T N -1.675 112.870 114.554 -0.015 0.000 2.906 410 T HA 0.810 5.157 4.350 -0.005 0.000 0.295 410 T C -0.927 173.748 174.700 -0.042 0.000 1.061 410 T CA -0.981 61.083 62.100 -0.061 0.000 1.000 410 T CB 2.522 71.329 68.868 -0.102 0.000 1.103 410 T HN 0.082 nan 8.240 nan 0.000 0.486 411 A N 1.305 124.115 122.820 -0.016 0.000 2.582 411 A HA 0.603 4.919 4.320 -0.005 0.000 0.297 411 A C -1.266 176.402 177.584 0.139 0.000 1.059 411 A CA -0.927 51.102 52.037 -0.013 0.000 0.705 411 A CB 0.731 19.750 19.000 0.031 0.000 1.279 411 A HN 1.022 nan 8.150 nan 0.000 0.404 412 H N 1.880 120.915 119.070 -0.059 0.000 2.517 412 H HA 0.423 4.976 4.556 -0.005 0.000 0.317 412 H C -0.576 174.746 175.328 -0.011 0.000 1.080 412 H CA -0.639 55.395 56.048 -0.024 0.000 1.301 412 H CB 1.236 30.978 29.762 -0.033 0.000 1.425 412 H HN 0.399 nan 8.280 nan 0.000 0.471 413 I N 2.984 123.620 120.570 0.109 0.000 2.330 413 I HA 0.177 4.344 4.170 -0.005 0.000 0.286 413 I C 0.438 176.548 176.117 -0.011 0.000 1.025 413 I CA -0.491 60.845 61.300 0.060 0.000 1.197 413 I CB 0.583 38.626 38.000 0.071 0.000 1.358 413 I HN 0.590 nan 8.210 nan 0.000 0.467 414 A N 5.998 128.817 122.820 -0.002 0.000 2.350 414 A HA 0.695 5.012 4.320 -0.005 0.000 0.293 414 A C 0.386 177.892 177.584 -0.130 0.000 1.231 414 A CA -0.280 51.734 52.037 -0.040 0.000 0.883 414 A CB 0.065 19.079 19.000 0.024 0.000 1.133 414 A HN 0.815 nan 8.150 nan 0.000 0.533 415 A N 2.883 125.512 122.820 -0.318 0.000 2.337 415 A HA 0.777 5.094 4.320 -0.005 0.000 0.329 415 A C -0.540 176.790 177.584 -0.423 0.000 1.146 415 A CA -0.465 51.228 52.037 -0.572 0.000 0.800 415 A CB 1.186 19.325 19.000 -1.436 0.000 1.220 415 A HN 0.785 nan 8.150 nan 0.000 0.472 416 D N -0.707 119.573 120.400 -0.199 0.000 2.664 416 D HA 0.696 5.333 4.640 -0.005 0.000 0.292 416 D C -0.252 176.094 176.300 0.076 0.000 1.214 416 D CA 0.904 54.920 54.000 0.026 0.000 0.932 416 D CB 2.063 42.881 40.800 0.029 0.000 1.420 416 D HN 1.690 nan 8.370 nan 0.000 0.471 417 G N -0.492 108.375 108.800 0.112 0.000 2.576 417 G HA2 0.059 4.016 3.960 -0.005 0.000 0.686 417 G HA3 0.059 4.016 3.960 -0.005 0.000 0.686 417 G C 0.682 175.641 174.900 0.097 0.000 1.242 417 G CA 0.452 45.603 45.100 0.084 0.000 0.819 417 G HN 0.781 nan 8.290 nan 0.000 0.655 418 S N -0.791 114.944 115.700 0.059 0.000 2.419 418 S HA -0.085 4.381 4.470 -0.005 0.000 0.233 418 S C 2.295 176.914 174.600 0.032 0.000 1.016 418 S CA 2.236 60.467 58.200 0.051 0.000 0.974 418 S CB -0.099 63.130 63.200 0.048 0.000 0.786 418 S HN 1.342 nan 8.310 nan 0.000 0.492 419 V N 1.004 120.906 119.914 -0.020 0.000 2.283 419 V HA -0.036 4.081 4.120 -0.005 0.000 0.243 419 V C 2.096 178.026 176.094 -0.273 0.000 1.039 419 V CA 1.864 64.072 62.300 -0.153 0.000 1.016 419 V CB -1.044 30.594 31.823 -0.308 0.000 0.650 419 V HN 0.537 nan 8.190 nan 0.000 0.449 420 F N 1.935 121.664 119.950 -0.368 0.000 2.126 420 F HA -0.205 4.319 4.527 -0.005 0.000 0.299 420 F C 2.283 178.083 175.800 0.000 0.000 1.096 420 F CA 2.018 59.908 58.000 -0.183 0.000 1.255 420 F CB -0.333 38.648 39.000 -0.032 0.000 0.997 420 F HN 0.181 nan 8.300 nan 0.000 0.479 421 N N 0.131 118.840 118.700 0.014 0.000 2.300 421 N HA -0.038 4.699 4.740 -0.005 0.000 0.179 421 N C 1.542 177.007 175.510 -0.075 0.000 1.016 421 N CA 1.150 54.170 53.050 -0.051 0.000 0.876 421 N CB -0.139 38.400 38.487 0.086 0.000 0.979 421 N HN 0.433 nan 8.380 nan 0.000 0.432 422 R N -1.647 118.836 120.500 -0.027 0.000 2.513 422 R HA 0.122 4.459 4.340 -0.005 0.000 0.245 422 R C -0.198 176.105 176.300 0.006 0.000 0.908 422 R CA -0.339 55.754 56.100 -0.012 0.000 1.023 422 R CB 0.452 30.755 30.300 0.004 0.000 1.338 422 R HN 0.104 nan 8.270 nan 0.000 0.575 423 Y N 4.288 124.560 120.300 -0.047 0.000 2.442 423 Y HA 0.142 4.688 4.550 -0.005 0.000 0.330 423 Y C -2.199 173.734 175.900 0.054 0.000 1.129 423 Y CA -2.190 55.917 58.100 0.012 0.000 1.365 423 Y CB 0.675 39.146 38.460 0.019 0.000 1.233 423 Y HN -0.125 nan 8.280 nan 0.000 0.529 424 P HA 0.081 nan 4.420 nan 0.000 0.263 424 P C 0.368 177.713 177.300 0.075 0.000 1.195 424 P CA 1.627 64.629 63.100 -0.163 0.000 0.762 424 P CB 0.475 32.003 31.700 -0.287 0.000 0.799 425 G N 2.566 111.412 108.800 0.076 0.000 2.166 425 G HA2 -0.388 3.569 3.960 -0.005 0.000 0.260 425 G HA3 -0.388 3.569 3.960 -0.005 0.000 0.260 425 G C 0.869 175.867 174.900 0.163 0.000 0.986 425 G CA 0.441 45.599 45.100 0.096 0.000 0.683 425 G HN 0.525 nan 8.290 nan 0.000 0.527 426 Y N 0.895 121.277 120.300 0.137 0.000 2.165 426 Y HA -0.091 4.456 4.550 -0.005 0.000 0.286 426 Y C 2.719 178.667 175.900 0.080 0.000 1.155 426 Y CA 2.581 60.766 58.100 0.141 0.000 1.164 426 Y CB -0.127 38.425 38.460 0.153 0.000 0.978 426 Y HN 0.389 nan 8.280 nan 0.000 0.513 427 K N -0.294 120.182 120.400 0.126 0.000 2.057 427 K HA -0.195 4.122 4.320 -0.005 0.000 0.207 427 K C 1.796 178.417 176.600 0.036 0.000 1.049 427 K CA 1.807 58.140 56.287 0.076 0.000 0.931 427 K CB -0.137 32.346 32.500 -0.029 0.000 0.714 427 K HN 0.283 nan 8.250 nan 0.000 0.440 428 E N 1.096 121.305 120.200 0.015 0.000 2.072 428 E HA -0.134 4.213 4.350 -0.005 0.000 0.191 428 E C 1.726 178.330 176.600 0.006 0.000 0.985 428 E CA 1.276 57.685 56.400 0.015 0.000 0.801 428 E CB 0.032 29.742 29.700 0.017 0.000 0.750 428 E HN 0.200 nan 8.360 nan 0.000 0.452 429 K N 0.314 120.686 120.400 -0.046 0.000 2.026 429 K HA -0.077 4.240 4.320 -0.005 0.000 0.208 429 K C 2.176 178.706 176.600 -0.118 0.000 1.048 429 K CA 1.279 57.511 56.287 -0.092 0.000 0.929 429 K CB -0.214 32.185 32.500 -0.168 0.000 0.713 429 K HN 0.120 nan 8.250 nan 0.000 0.439 430 A N 1.462 124.164 122.820 -0.196 0.000 1.898 430 A HA -0.089 4.228 4.320 -0.005 0.000 0.216 430 A C 2.379 180.015 177.584 0.087 0.000 1.181 430 A CA 1.773 53.757 52.037 -0.090 0.000 0.620 430 A CB -0.714 18.258 19.000 -0.046 0.000 0.819 430 A HN 0.330 nan 8.150 nan 0.000 0.442 431 A N -0.942 121.960 122.820 0.137 0.000 1.902 431 A HA -0.188 4.129 4.320 -0.005 0.000 0.217 431 A C 2.153 179.953 177.584 0.360 0.000 1.181 431 A CA 2.100 54.313 52.037 0.293 0.000 0.623 431 A CB -0.515 18.576 19.000 0.152 0.000 0.818 431 A HN 0.521 nan 8.150 nan 0.000 0.443 432 Q N -0.062 119.863 119.800 0.208 0.000 2.124 432 Q HA -0.016 4.320 4.340 -0.005 0.000 0.202 432 Q C 1.985 178.034 176.000 0.083 0.000 0.977 432 Q CA 1.993 57.895 55.803 0.164 0.000 0.850 432 Q CB -0.611 28.183 28.738 0.093 0.000 0.901 432 Q HN 0.559 nan 8.270 nan 0.000 0.429 433 A N -0.014 122.837 122.820 0.051 0.000 1.902 433 A HA -0.128 4.188 4.320 -0.005 0.000 0.217 433 A C 2.096 179.657 177.584 -0.040 0.000 1.181 433 A CA 1.417 53.453 52.037 -0.002 0.000 0.623 433 A CB -0.743 18.253 19.000 -0.007 0.000 0.818 433 A HN 0.445 nan 8.150 nan 0.000 0.443 434 L N -0.688 120.553 121.223 0.030 0.000 2.056 434 L HA -0.173 4.164 4.340 -0.005 0.000 0.207 434 L C 2.611 179.244 176.870 -0.394 0.000 1.078 434 L CA 1.834 56.649 54.840 -0.041 0.000 0.749 434 L CB -0.347 41.860 42.059 0.247 0.000 0.901 434 L HN 0.455 nan 8.230 nan 0.000 0.433 435 K N 0.018 120.299 120.400 -0.197 0.000 2.063 435 K HA -0.222 4.095 4.320 -0.005 0.000 0.208 435 K C 1.613 178.049 176.600 -0.273 0.000 1.048 435 K CA 1.832 57.973 56.287 -0.245 0.000 0.928 435 K CB 0.012 32.529 32.500 0.028 0.000 0.713 435 K HN 0.248 nan 8.250 nan 0.000 0.442 436 D N 0.650 120.944 120.400 -0.176 0.000 2.117 436 D HA -0.111 4.526 4.640 -0.005 0.000 0.198 436 D C 1.938 178.086 176.300 -0.253 0.000 0.982 436 D CA 0.977 54.883 54.000 -0.157 0.000 0.828 436 D CB -0.097 40.648 40.800 -0.090 0.000 0.967 436 D HN 0.276 nan 8.370 nan 0.000 0.464 437 I N -0.149 120.208 120.570 -0.354 0.000 2.163 437 I HA -0.302 3.865 4.170 -0.005 0.000 0.243 437 I C 1.728 177.446 176.117 -0.664 0.000 1.085 437 I CA 1.236 62.225 61.300 -0.519 0.000 1.347 437 I CB -0.156 37.439 38.000 -0.675 0.000 1.044 437 I HN 0.027 nan 8.210 nan 0.000 0.408 438 Y N -0.283 119.635 120.300 -0.637 0.000 2.482 438 Y HA 0.105 4.652 4.550 -0.005 0.000 0.270 438 Y C 1.087 176.682 175.900 -0.508 0.000 1.152 438 Y CA 0.075 57.748 58.100 -0.713 0.000 1.292 438 Y CB -0.453 37.170 38.460 -1.395 0.000 1.070 438 Y HN 0.231 nan 8.280 nan 0.000 0.528 439 N N 0.035 118.563 118.700 -0.287 0.000 2.727 439 N HA -0.200 4.537 4.740 -0.005 0.000 0.249 439 N C -1.019 174.505 175.510 0.024 0.000 1.048 439 N CA -0.354 52.633 53.050 -0.106 0.000 0.714 439 N CB -0.585 37.866 38.487 -0.060 0.000 0.959 439 N HN 0.229 nan 8.380 nan 0.000 0.544 440 W N 0.819 122.128 121.300 0.014 0.000 2.181 440 W HA 0.174 4.830 4.660 -0.005 0.000 0.335 440 W C 0.865 177.370 176.519 -0.023 0.000 1.310 440 W CA -0.064 57.268 57.345 -0.022 0.000 1.226 440 W CB 0.119 29.519 29.460 -0.100 0.000 1.155 440 W HN 0.173 nan 8.180 nan 0.000 0.565 441 D N 2.280 122.817 120.400 0.229 0.000 2.411 441 D HA 0.325 4.962 4.640 -0.005 0.000 0.225 441 D C -1.256 175.105 176.300 0.103 0.000 1.156 441 D CA 0.063 54.141 54.000 0.131 0.000 0.874 441 D CB 0.507 41.360 40.800 0.088 0.000 1.034 441 D HN 0.070 nan 8.370 nan 0.000 0.502 442 V N 3.821 123.804 119.914 0.115 0.000 2.852 442 V HA 0.194 4.311 4.120 -0.005 0.000 0.300 442 V C 0.560 176.736 176.094 0.136 0.000 1.205 442 V CA -0.548 61.812 62.300 0.100 0.000 0.940 442 V CB 2.107 33.976 31.823 0.078 0.000 1.047 442 V HN 0.564 nan 8.190 nan 0.000 0.429 443 E N 4.374 124.635 120.200 0.100 0.000 2.042 443 E HA 0.148 4.494 4.350 -0.005 0.000 0.189 443 E C 0.279 176.938 176.600 0.098 0.000 0.974 443 E CA 0.502 56.955 56.400 0.088 0.000 0.806 443 E CB 0.336 30.066 29.700 0.050 0.000 0.769 443 E HN 0.664 nan 8.360 nan 0.000 0.451 444 K N 0.846 121.290 120.400 0.073 0.000 2.164 444 K HA 0.202 4.519 4.320 -0.005 0.000 0.258 444 K C 0.997 177.552 176.600 -0.075 0.000 0.951 444 K CA -0.314 55.979 56.287 0.011 0.000 0.844 444 K CB 1.550 34.042 32.500 -0.013 0.000 1.099 444 K HN 0.169 nan 8.250 nan 0.000 0.435 445 M N 1.243 120.696 119.600 -0.244 0.000 2.296 445 M HA -0.128 4.349 4.480 -0.005 0.000 0.265 445 M C 1.351 177.396 176.300 -0.426 0.000 1.064 445 M CA 1.518 56.397 55.300 -0.701 0.000 1.109 445 M CB -0.292 32.022 32.600 -0.477 0.000 1.396 445 M HN 0.515 nan 8.290 nan 0.000 0.430 446 E N 0.626 120.711 120.200 -0.191 0.000 2.409 446 E HA -0.164 4.183 4.350 -0.005 0.000 0.198 446 E C 0.186 176.739 176.600 -0.078 0.000 1.024 446 E CA 1.014 57.347 56.400 -0.113 0.000 0.861 446 E CB -0.511 29.147 29.700 -0.070 0.000 0.788 446 E HN 0.621 nan 8.360 nan 0.000 0.521 447 D N 0.566 120.926 120.400 -0.065 0.000 2.395 447 D HA 0.072 4.708 4.640 -0.005 0.000 0.213 447 D C -0.195 176.078 176.300 -0.046 0.000 1.110 447 D CA -0.134 53.843 54.000 -0.039 0.000 0.835 447 D CB -0.134 40.651 40.800 -0.024 0.000 0.965 447 D HN 0.359 nan 8.370 nan 0.000 0.505 448 H N 1.173 120.117 119.070 -0.211 0.000 2.964 448 H HA -0.004 4.549 4.556 -0.005 0.000 0.328 448 H C -1.267 173.713 175.328 -0.581 0.000 1.030 448 H CA -1.270 54.506 56.048 -0.454 0.000 1.445 448 H CB 1.297 30.953 29.762 -0.177 0.000 1.449 448 H HN -0.105 nan 8.280 nan 0.000 0.581 449 P HA -0.151 nan 4.420 nan 0.000 0.216 449 P C 0.047 177.183 177.300 -0.274 0.000 1.153 449 P CA 1.426 64.162 63.100 -0.607 0.000 0.858 449 P CB 0.362 31.575 31.700 -0.811 0.000 0.789 450 I N -0.126 120.336 120.570 -0.181 0.000 2.362 450 I HA 0.250 4.417 4.170 -0.005 0.000 0.289 450 I C 0.024 176.286 176.117 0.241 0.000 0.994 450 I CA -0.588 60.802 61.300 0.149 0.000 1.158 450 I CB 1.241 39.417 38.000 0.293 0.000 1.315 450 I HN -0.035 nan 8.210 nan 0.000 0.451 451 Q N 5.876 125.782 119.800 0.176 0.000 2.340 451 Q HA 0.609 4.946 4.340 -0.005 0.000 0.276 451 Q C -1.855 174.199 176.000 0.090 0.000 1.048 451 Q CA -1.096 54.797 55.803 0.151 0.000 0.832 451 Q CB 2.412 31.186 28.738 0.060 0.000 1.373 451 Q HN 0.326 nan 8.270 nan 0.000 0.409 452 L N 2.251 123.547 121.223 0.123 0.000 2.349 452 L HA 0.577 4.914 4.340 -0.005 0.000 0.275 452 L C -0.152 176.765 176.870 0.080 0.000 1.115 452 L CA -0.145 54.748 54.840 0.088 0.000 0.820 452 L CB 1.547 43.717 42.059 0.184 0.000 1.135 452 L HN 0.638 nan 8.230 nan 0.000 0.445 453 V N 0.209 120.118 119.914 -0.009 0.000 3.040 453 V HA 0.926 5.042 4.120 -0.005 0.000 0.312 453 V C -0.010 176.124 176.094 0.066 0.000 1.115 453 V CA -1.287 61.028 62.300 0.025 0.000 0.998 453 V CB 1.554 33.288 31.823 -0.149 0.000 1.042 453 V HN 0.878 nan 8.190 nan 0.000 0.433 454 A N 2.173 125.104 122.820 0.185 0.000 2.524 454 A HA 0.701 5.018 4.320 -0.005 0.000 0.250 454 A C 0.766 178.406 177.584 0.094 0.000 1.078 454 A CA 0.441 52.604 52.037 0.209 0.000 0.761 454 A CB -0.366 18.767 19.000 0.222 0.000 1.012 454 A HN 2.243 nan 8.150 nan 0.000 0.500 455 A N 3.027 125.881 122.820 0.056 0.000 2.332 455 A HA 0.518 4.835 4.320 -0.005 0.000 0.258 455 A C 0.523 178.167 177.584 0.101 0.000 1.087 455 A CA -0.496 51.575 52.037 0.056 0.000 0.802 455 A CB 0.130 19.140 19.000 0.016 0.000 1.042 455 A HN 0.841 nan 8.150 nan 0.000 0.489 456 E N 0.541 120.814 120.200 0.121 0.000 2.391 456 E HA 0.065 4.412 4.350 -0.005 0.000 0.255 456 E C -0.557 176.102 176.600 0.098 0.000 1.187 456 E CA -0.261 56.230 56.400 0.152 0.000 0.941 456 E CB 0.420 30.244 29.700 0.206 0.000 1.010 456 E HN 0.663 nan 8.360 nan 0.000 0.458 457 D N 0.222 120.678 120.400 0.094 0.000 2.368 457 D HA 0.033 4.669 4.640 -0.005 0.000 0.268 457 D C 1.060 177.366 176.300 0.010 0.000 1.298 457 D CA 0.287 54.316 54.000 0.049 0.000 0.938 457 D CB 0.355 41.185 40.800 0.050 0.000 1.101 457 D HN 0.459 nan 8.370 nan 0.000 0.509 458 G N 2.395 111.203 108.800 0.014 0.000 2.394 458 G HA2 -0.187 3.769 3.960 -0.005 0.000 0.215 458 G HA3 -0.187 3.769 3.960 -0.005 0.000 0.215 458 G C 1.422 176.318 174.900 -0.006 0.000 1.165 458 G CA 0.337 45.436 45.100 -0.002 0.000 0.784 458 G HN 0.514 nan 8.290 nan 0.000 0.535 459 S N 0.309 116.014 115.700 0.008 0.000 2.489 459 S HA 0.145 4.612 4.470 -0.005 0.000 0.228 459 S C 2.011 176.627 174.600 0.026 0.000 0.995 459 S CA 0.792 59.005 58.200 0.023 0.000 0.934 459 S CB 0.240 63.460 63.200 0.034 0.000 0.771 459 S HN 0.520 nan 8.310 nan 0.000 0.522 460 G N 1.160 109.960 108.800 0.000 0.000 2.598 460 G HA2 0.106 4.063 3.960 -0.005 0.000 0.225 460 G HA3 0.106 4.063 3.960 -0.005 0.000 0.225 460 G C 1.234 176.089 174.900 -0.075 0.000 1.631 460 G CA 0.267 45.354 45.100 -0.022 0.000 0.821 460 G HN 0.258 nan 8.290 nan 0.000 0.610 461 V N 2.036 121.874 119.914 -0.128 0.000 2.282 461 V HA -0.116 4.000 4.120 -0.005 0.000 0.249 461 V C 3.134 179.094 176.094 -0.223 0.000 1.057 461 V CA 2.386 64.524 62.300 -0.270 0.000 1.032 461 V CB -1.126 30.429 31.823 -0.446 0.000 0.645 461 V HN 0.475 nan 8.190 nan 0.000 0.447 462 G N -0.651 108.071 108.800 -0.129 0.000 2.418 462 G HA2 -0.192 3.764 3.960 -0.005 0.000 0.217 462 G HA3 -0.192 3.764 3.960 -0.005 0.000 0.217 462 G C 1.765 176.617 174.900 -0.081 0.000 1.158 462 G CA 1.019 46.064 45.100 -0.092 0.000 0.771 462 G HN 0.629 nan 8.290 nan 0.000 0.545 463 A N 1.134 123.924 122.820 -0.050 0.000 1.933 463 A HA 0.256 4.573 4.320 -0.005 0.000 0.218 463 A C 2.800 180.358 177.584 -0.044 0.000 1.175 463 A CA 2.263 54.290 52.037 -0.018 0.000 0.628 463 A CB -0.722 18.301 19.000 0.039 0.000 0.814 463 A HN 0.753 nan 8.150 nan 0.000 0.444 464 A N -0.075 122.701 122.820 -0.073 0.000 1.898 464 A HA -0.037 4.280 4.320 -0.005 0.000 0.216 464 A C 2.103 179.559 177.584 -0.214 0.000 1.181 464 A CA 1.448 53.446 52.037 -0.066 0.000 0.620 464 A CB -0.578 18.392 19.000 -0.050 0.000 0.819 464 A HN 0.489 nan 8.150 nan 0.000 0.442 465 I N -0.337 120.067 120.570 -0.277 0.000 2.286 465 I HA -0.241 3.926 4.170 -0.005 0.000 0.248 465 I C 2.219 178.168 176.117 -0.281 0.000 1.115 465 I CA 1.175 62.252 61.300 -0.372 0.000 1.392 465 I CB -0.307 37.487 38.000 -0.344 0.000 1.065 465 I HN 0.289 nan 8.210 nan 0.000 0.418 466 I N 0.808 121.282 120.570 -0.161 0.000 2.286 466 I HA -0.278 3.889 4.170 -0.005 0.000 0.248 466 I C 2.786 178.835 176.117 -0.113 0.000 1.115 466 I CA 1.212 62.453 61.300 -0.099 0.000 1.392 466 I CB -0.408 37.565 38.000 -0.046 0.000 1.065 466 I HN 0.188 nan 8.210 nan 0.000 0.418 467 A N -0.141 122.607 122.820 -0.121 0.000 1.902 467 A HA -0.296 4.021 4.320 -0.005 0.000 0.217 467 A C 2.554 180.027 177.584 -0.184 0.000 1.181 467 A CA 1.881 53.873 52.037 -0.075 0.000 0.623 467 A CB -1.310 17.708 19.000 0.030 0.000 0.818 467 A HN 0.636 nan 8.150 nan 0.000 0.443 468 C N -0.256 118.702 119.300 -0.570 0.000 2.413 468 C HA -0.089 4.367 4.460 -0.005 0.000 0.277 468 C C 2.601 177.401 174.990 -0.318 0.000 1.228 468 C CA 1.341 59.844 59.018 -0.859 0.000 1.731 468 C CB -1.582 25.277 27.740 -1.467 0.000 2.042 468 C HN 0.581 nan 8.230 nan 0.000 0.468 469 L N 0.510 121.596 121.223 -0.230 0.000 2.083 469 L HA -0.119 4.217 4.340 -0.005 0.000 0.209 469 L C 2.811 179.652 176.870 -0.049 0.000 1.083 469 L CA 2.104 56.887 54.840 -0.095 0.000 0.752 469 L CB -1.117 40.913 42.059 -0.047 0.000 0.899 469 L HN 0.426 nan 8.230 nan 0.000 0.433 470 T N -1.155 113.370 114.554 -0.048 0.000 2.737 470 T HA -0.271 4.075 4.350 -0.005 0.000 0.265 470 T C 1.855 176.552 174.700 -0.004 0.000 1.038 470 T CA 1.415 63.508 62.100 -0.013 0.000 1.144 470 T CB -0.165 68.699 68.868 -0.007 0.000 0.866 470 T HN 0.349 nan 8.240 nan 0.000 0.434 471 Q N 0.978 120.780 119.800 0.003 0.000 2.135 471 Q HA -0.181 4.156 4.340 -0.005 0.000 0.204 471 Q C 2.313 178.331 176.000 0.030 0.000 0.981 471 Q CA 1.516 57.341 55.803 0.036 0.000 0.856 471 Q CB -0.125 28.674 28.738 0.103 0.000 0.902 471 Q HN 0.450 nan 8.270 nan 0.000 0.425 472 K N 0.101 120.512 120.400 0.018 0.000 2.044 472 K HA -0.217 4.100 4.320 -0.005 0.000 0.210 472 K C 2.085 178.693 176.600 0.013 0.000 1.049 472 K CA 1.673 57.971 56.287 0.019 0.000 0.927 472 K CB 0.015 32.519 32.500 0.007 0.000 0.713 472 K HN 0.180 nan 8.250 nan 0.000 0.443 473 R N 0.177 120.682 120.500 0.007 0.000 2.062 473 R HA -0.005 4.332 4.340 -0.005 0.000 0.226 473 R C 2.504 178.805 176.300 0.001 0.000 1.125 473 R CA 1.207 57.310 56.100 0.005 0.000 0.966 473 R CB -0.329 29.976 30.300 0.007 0.000 0.861 473 R HN 0.204 nan 8.270 nan 0.000 0.433 474 L N 0.428 121.651 121.223 -0.001 0.000 2.042 474 L HA -0.183 4.154 4.340 -0.005 0.000 0.210 474 L C 2.652 179.520 176.870 -0.004 0.000 1.076 474 L CA 1.361 56.196 54.840 -0.007 0.000 0.749 474 L CB -0.620 41.433 42.059 -0.009 0.000 0.893 474 L HN 0.259 nan 8.230 nan 0.000 0.432 475 A N -0.172 122.651 122.820 0.006 0.000 2.019 475 A HA -0.088 4.229 4.320 -0.005 0.000 0.219 475 A C 2.325 179.912 177.584 0.004 0.000 1.164 475 A CA 1.589 53.630 52.037 0.007 0.000 0.644 475 A CB -0.511 18.500 19.000 0.018 0.000 0.805 475 A HN 0.417 nan 8.150 nan 0.000 0.449 476 A N -1.911 120.911 122.820 0.004 0.000 2.251 476 A HA 0.422 4.739 4.320 -0.005 0.000 0.209 476 A C 1.752 179.334 177.584 -0.003 0.000 1.187 476 A CA 1.128 53.166 52.037 0.002 0.000 0.823 476 A CB -0.814 18.189 19.000 0.004 0.000 0.846 476 A HN 1.839 nan 8.150 nan 0.000 0.486 477 G N -0.437 108.359 108.800 -0.007 0.000 2.143 477 G HA2 -0.254 3.702 3.960 -0.005 0.000 0.248 477 G HA3 -0.254 3.702 3.960 -0.005 0.000 0.248 477 G C 0.101 174.993 174.900 -0.014 0.000 0.991 477 G CA 0.534 45.627 45.100 -0.013 0.000 0.689 477 G HN 0.570 nan 8.290 nan 0.000 0.522 478 K N 0.799 121.193 120.400 -0.010 0.000 2.118 478 K HA 0.536 4.853 4.320 -0.005 0.000 0.267 478 K C 0.555 177.147 176.600 -0.014 0.000 0.991 478 K CA -0.326 55.957 56.287 -0.008 0.000 0.916 478 K CB 1.078 33.578 32.500 0.000 0.000 1.041 478 K HN 0.183 nan 8.250 nan 0.000 0.455 479 S N 0.808 116.499 115.700 -0.015 0.000 2.585 479 S HA 0.081 4.548 4.470 -0.005 0.000 0.273 479 S C 0.589 175.180 174.600 -0.015 0.000 1.339 479 S CA -0.845 57.335 58.200 -0.033 0.000 1.028 479 S CB 0.848 64.027 63.200 -0.036 0.000 0.906 479 S HN 0.540 nan 8.310 nan 0.000 0.528 480 V N -1.317 118.560 119.914 -0.062 0.000 2.841 480 V HA 0.782 4.899 4.120 -0.005 0.000 0.363 480 V C 0.346 176.296 176.094 -0.241 0.000 1.330 480 V CA 0.125 62.411 62.300 -0.025 0.000 1.207 480 V CB -0.429 31.387 31.823 -0.012 0.000 1.318 480 V HN 1.012 nan 8.190 nan 0.000 0.603 481 G N -0.244 108.300 108.800 -0.427 0.000 2.340 481 G HA2 0.516 4.473 3.960 -0.005 0.000 0.299 481 G HA3 0.516 4.473 3.960 -0.005 0.000 0.299 481 G C -1.213 173.273 174.900 -0.690 0.000 1.291 481 G CA -0.897 43.501 45.100 -1.170 0.000 0.841 481 G HN 0.217 nan 8.290 nan 0.000 0.500 482 I N 0.975 121.149 120.570 -0.659 0.000 2.754 482 I HA 0.147 4.314 4.170 -0.005 0.000 0.285 482 I C 1.143 177.168 176.117 -0.153 0.000 1.166 482 I CA -0.080 61.085 61.300 -0.224 0.000 1.417 482 I CB 0.903 38.827 38.000 -0.128 0.000 1.382 482 I HN 0.399 nan 8.210 nan 0.000 0.588 483 K N 4.065 124.425 120.400 -0.067 0.000 2.491 483 K HA 0.038 4.355 4.320 -0.005 0.000 0.279 483 K C 0.949 177.512 176.600 -0.063 0.000 1.026 483 K CA 1.113 57.368 56.287 -0.053 0.000 1.070 483 K CB 0.042 32.529 32.500 -0.021 0.000 0.887 483 K HN 0.931 nan 8.250 nan 0.000 0.481 484 G N 2.543 111.303 108.800 -0.067 0.000 2.176 484 G HA2 -0.195 3.761 3.960 -0.005 0.000 0.253 484 G HA3 -0.195 3.761 3.960 -0.005 0.000 0.253 484 G C -0.052 174.800 174.900 -0.079 0.000 0.979 484 G CA 0.077 45.140 45.100 -0.062 0.000 0.641 484 G HN 0.614 nan 8.290 nan 0.000 0.530 485 E N 0.000 120.133 120.200 -0.112 0.000 2.725 485 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 485 E CA 0.000 56.320 56.400 -0.134 0.000 0.976 485 E CB 0.000 29.588 29.700 -0.186 0.000 0.812 485 E HN 0.000 nan 8.360 nan 0.000 0.440