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 2igm_1_F DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLNLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.279 176.300 -0.036 0.000 1.140 43 M CA 0.000 55.311 55.300 0.019 0.000 0.988 43 M CB 0.000 32.455 32.600 -0.242 0.000 1.302 44 D N 1.894 122.308 120.400 0.022 0.000 2.372 44 D HA 0.318 4.958 4.640 0.000 0.000 0.243 44 D C 0.855 177.088 176.300 -0.111 0.000 1.297 44 D CA 0.064 53.988 54.000 -0.127 0.000 0.958 44 D CB 0.904 41.501 40.800 -0.339 0.000 1.114 44 D HN 0.654 nan 8.370 nan 0.000 0.496 45 I N -1.068 119.415 120.570 -0.144 0.000 4.050 45 I HA 0.051 4.221 4.170 0.000 0.000 0.327 45 I C -0.018 176.070 176.117 -0.049 0.000 1.473 45 I CA -0.082 61.197 61.300 -0.034 0.000 1.124 45 I CB 0.356 38.350 38.000 -0.010 0.000 1.129 45 I HN -0.001 nan 8.210 nan 0.000 0.428 46 K N 0.950 121.172 120.400 -0.298 0.000 2.613 46 K HA 0.503 4.823 4.320 0.000 0.000 0.248 46 K C -1.787 174.509 176.600 -0.507 0.000 0.959 46 K CA -0.289 55.849 56.287 -0.249 0.000 0.855 46 K CB 0.794 33.205 32.500 -0.149 0.000 1.143 46 K HN -0.094 nan 8.250 nan 0.000 0.437 47 Y N 1.222 121.511 120.300 -0.019 0.000 2.602 47 Y HA 0.283 4.833 4.550 0.000 0.000 0.342 47 Y C 0.811 176.686 175.900 -0.041 0.000 1.029 47 Y CA -0.763 57.318 58.100 -0.032 0.000 1.080 47 Y CB 1.882 40.322 38.460 -0.033 0.000 1.284 47 Y HN 0.571 nan 8.280 nan 0.000 0.485 48 D N 0.162 120.646 120.400 0.141 0.000 2.091 48 D HA -0.003 4.637 4.640 0.000 0.000 0.199 48 D C -0.259 176.048 176.300 0.011 0.000 0.980 48 D CA 1.534 55.602 54.000 0.113 0.000 0.831 48 D CB 0.178 41.107 40.800 0.216 0.000 0.987 48 D HN 0.111 nan 8.370 nan 0.000 0.460 49 V N 1.115 121.028 119.914 -0.002 0.000 2.588 49 V HA 0.392 4.512 4.120 0.000 0.000 0.304 49 V C -0.228 175.783 176.094 -0.139 0.000 1.042 49 V CA -1.030 61.182 62.300 -0.147 0.000 0.877 49 V CB 2.365 34.084 31.823 -0.173 0.000 0.996 49 V HN 0.003 nan 8.190 nan 0.000 0.425 50 V N 2.945 122.735 119.914 -0.208 0.000 2.495 50 V HA 0.731 4.851 4.120 0.000 0.000 0.298 50 V C -0.618 175.429 176.094 -0.077 0.000 1.031 50 V CA -0.576 61.663 62.300 -0.103 0.000 0.871 50 V CB 1.589 33.418 31.823 0.011 0.000 0.988 50 V HN 0.687 nan 8.190 nan 0.000 0.432 51 I N 4.568 125.117 120.570 -0.036 0.000 2.406 51 I HA 0.457 4.627 4.170 0.000 0.000 0.290 51 I C -0.467 175.680 176.117 0.050 0.000 0.999 51 I CA -0.926 60.339 61.300 -0.059 0.000 1.124 51 I CB 2.156 40.106 38.000 -0.085 0.000 1.289 51 I HN 0.435 nan 8.210 nan 0.000 0.441 52 V N 5.785 125.709 119.914 0.016 0.000 2.334 52 V HA 0.743 4.863 4.120 0.000 0.000 0.267 52 V C 0.531 176.635 176.094 0.016 0.000 1.040 52 V CA -0.230 62.099 62.300 0.049 0.000 0.866 52 V CB 0.316 32.139 31.823 0.000 0.000 1.019 52 V HN 1.072 nan 8.190 nan 0.000 0.468 53 G N 3.975 112.801 108.800 0.044 0.000 2.906 53 G HA2 -0.011 3.949 3.960 0.000 0.000 0.686 53 G HA3 -0.011 3.949 3.960 0.000 0.000 0.686 53 G C -0.064 174.856 174.900 0.032 0.000 1.170 53 G CA -0.262 44.856 45.100 0.030 0.000 0.775 53 G HN 1.274 nan 8.290 nan 0.000 0.630 54 S N 0.961 116.683 115.700 0.037 0.000 2.651 54 S HA 0.613 5.083 4.470 0.000 0.000 0.246 54 S C 1.256 175.870 174.600 0.023 0.000 1.039 54 S CA 0.710 58.938 58.200 0.047 0.000 1.013 54 S CB 0.603 63.844 63.200 0.068 0.000 0.861 54 S HN 1.938 nan 8.310 nan 0.000 0.485 55 G N 2.656 111.458 108.800 0.003 0.000 2.611 55 G HA2 0.402 4.362 3.960 0.000 0.000 0.273 55 G HA3 0.402 4.362 3.960 0.000 0.000 0.273 55 G C -1.166 173.709 174.900 -0.040 0.000 1.305 55 G CA -1.331 43.750 45.100 -0.033 0.000 1.010 55 G HN 0.247 nan 8.290 nan 0.000 0.509 56 P HA -0.053 nan 4.420 nan 0.000 0.222 56 P C 1.648 178.890 177.300 -0.096 0.000 1.147 56 P CA 0.680 63.726 63.100 -0.090 0.000 0.790 56 P CB 0.213 31.874 31.700 -0.066 0.000 0.780 57 I N 0.135 120.681 120.570 -0.040 0.000 2.333 57 I HA -0.022 4.148 4.170 0.000 0.000 0.246 57 I C 2.716 178.892 176.117 0.098 0.000 1.106 57 I CA 1.441 62.749 61.300 0.015 0.000 1.411 57 I CB -2.259 35.776 38.000 0.057 0.000 1.082 57 I HN -0.005 nan 8.210 nan 0.000 0.420 58 G N 0.514 109.352 108.800 0.063 0.000 2.469 58 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 58 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 58 G C 1.757 176.660 174.900 0.005 0.000 1.150 58 G CA 1.144 46.273 45.100 0.048 0.000 0.763 58 G HN 0.416 nan 8.290 nan 0.000 0.561 59 C N 0.505 119.783 119.300 -0.036 0.000 2.432 59 C HA 0.046 4.506 4.460 0.000 0.000 0.282 59 C C 3.167 178.038 174.990 -0.198 0.000 1.388 59 C CA 1.333 60.290 59.018 -0.101 0.000 1.777 59 C CB -0.983 26.745 27.740 -0.019 0.000 1.882 59 C HN 0.449 nan 8.230 nan 0.000 0.520 60 T N -0.141 114.322 114.554 -0.152 0.000 2.770 60 T HA -0.123 4.227 4.350 0.000 0.000 0.263 60 T C 1.470 176.029 174.700 -0.236 0.000 1.039 60 T CA 1.461 63.442 62.100 -0.198 0.000 1.142 60 T CB -0.372 68.392 68.868 -0.173 0.000 0.868 60 T HN 0.547 nan 8.240 nan 0.000 0.435 61 Y N 1.565 121.733 120.300 -0.220 0.000 2.165 61 Y HA -0.075 4.475 4.550 0.000 0.000 0.286 61 Y C 2.715 178.408 175.900 -0.346 0.000 1.155 61 Y CA 0.980 58.930 58.100 -0.250 0.000 1.164 61 Y CB -0.658 37.674 38.460 -0.214 0.000 0.978 61 Y HN 0.197 nan 8.280 nan 0.000 0.513 62 A N 0.112 122.746 122.820 -0.309 0.000 1.858 62 A HA -0.220 4.100 4.320 0.000 0.000 0.216 62 A C 2.306 179.322 177.584 -0.946 0.000 1.190 62 A CA 1.764 53.370 52.037 -0.719 0.000 0.617 62 A CB -0.767 17.554 19.000 -1.131 0.000 0.827 62 A HN 0.399 nan 8.150 nan 0.000 0.443 63 R N -0.412 119.591 120.500 -0.828 0.000 2.094 63 R HA -0.184 4.156 4.340 0.000 0.000 0.239 63 R C 2.092 178.202 176.300 -0.317 0.000 1.137 63 R CA 1.899 57.692 56.100 -0.511 0.000 0.943 63 R CB -0.287 29.736 30.300 -0.462 0.000 0.850 63 R HN 0.591 nan 8.270 nan 0.000 0.433 64 E N 0.300 120.341 120.200 -0.264 0.000 2.047 64 E HA -0.176 4.174 4.350 0.000 0.000 0.191 64 E C 2.151 178.682 176.600 -0.115 0.000 0.987 64 E CA 1.230 57.543 56.400 -0.145 0.000 0.799 64 E CB -0.079 29.529 29.700 -0.153 0.000 0.752 64 E HN 0.418 nan 8.360 nan 0.000 0.449 65 L N 0.234 121.357 121.223 -0.167 0.000 2.168 65 L HA -0.058 4.282 4.340 0.000 0.000 0.203 65 L C 2.567 179.461 176.870 0.041 0.000 1.078 65 L CA 0.251 55.023 54.840 -0.112 0.000 0.780 65 L CB -0.347 41.547 42.059 -0.276 0.000 0.939 65 L HN -0.063 nan 8.230 nan 0.000 0.451 66 V N 0.773 120.633 119.914 -0.089 0.000 2.324 66 V HA -0.263 3.857 4.120 0.000 0.000 0.250 66 V C 2.625 178.741 176.094 0.037 0.000 1.060 66 V CA 2.200 64.485 62.300 -0.025 0.000 1.042 66 V CB -1.327 30.406 31.823 -0.150 0.000 0.650 66 V HN 0.591 nan 8.190 nan 0.000 0.450 67 G N -0.709 108.091 108.800 0.000 0.000 2.448 67 G HA2 -0.114 3.846 3.960 0.000 0.000 0.219 67 G HA3 -0.114 3.846 3.960 0.000 0.000 0.219 67 G C 1.431 176.366 174.900 0.058 0.000 1.127 67 G CA 0.801 45.919 45.100 0.029 0.000 0.766 67 G HN 0.659 nan 8.290 nan 0.000 0.552 68 A N -0.421 122.461 122.820 0.103 0.000 2.278 68 A HA 0.497 4.817 4.320 0.000 0.000 0.212 68 A C 1.866 179.502 177.584 0.087 0.000 1.213 68 A CA 1.139 53.260 52.037 0.139 0.000 0.840 68 A CB -0.407 18.753 19.000 0.265 0.000 0.866 68 A HN 1.536 nan 8.150 nan 0.000 0.489 69 G N -2.030 106.817 108.800 0.078 0.000 2.141 69 G HA2 -0.273 3.687 3.960 0.000 0.000 0.242 69 G HA3 -0.273 3.687 3.960 0.000 0.000 0.242 69 G C -0.091 174.762 174.900 -0.078 0.000 0.982 69 G CA 0.153 45.252 45.100 -0.003 0.000 0.662 69 G HN 0.403 nan 8.290 nan 0.000 0.527 70 Y N 0.319 120.614 120.300 -0.007 0.000 2.336 70 Y HA 0.442 4.992 4.550 0.000 0.000 0.331 70 Y C 1.090 176.977 175.900 -0.021 0.000 1.211 70 Y CA -0.138 57.954 58.100 -0.013 0.000 1.346 70 Y CB 0.800 39.246 38.460 -0.023 0.000 1.271 70 Y HN 0.081 nan 8.280 nan 0.000 0.538 71 K N 3.018 123.485 120.400 0.112 0.000 2.273 71 K HA 0.410 4.730 4.320 0.000 0.000 0.287 71 K C -1.571 175.124 176.600 0.158 0.000 1.089 71 K CA -0.138 56.194 56.287 0.075 0.000 0.909 71 K CB 0.022 32.533 32.500 0.018 0.000 1.123 71 K HN 0.503 nan 8.250 nan 0.000 0.473 72 V N 3.198 123.185 119.914 0.123 0.000 2.513 72 V HA 0.571 4.691 4.120 0.000 0.000 0.299 72 V C -0.243 175.738 176.094 -0.189 0.000 1.035 72 V CA -0.930 61.396 62.300 0.044 0.000 0.889 72 V CB 1.427 33.323 31.823 0.122 0.000 0.988 72 V HN 0.874 nan 8.190 nan 0.000 0.440 73 A N 5.759 128.317 122.820 -0.438 0.000 2.350 73 A HA 0.932 5.252 4.320 0.000 0.000 0.324 73 A C -0.649 176.588 177.584 -0.578 0.000 1.118 73 A CA -0.615 50.942 52.037 -0.801 0.000 0.783 73 A CB 1.528 19.675 19.000 -1.421 0.000 1.236 73 A HN 0.910 nan 8.150 nan 0.000 0.457 74 M N 2.486 121.662 119.600 -0.707 0.000 2.326 74 M HA 0.726 5.206 4.480 0.000 0.000 0.306 74 M C -2.171 173.820 176.300 -0.516 0.000 1.054 74 M CA -0.422 54.656 55.300 -0.370 0.000 0.922 74 M CB 1.176 33.742 32.600 -0.055 0.000 1.632 74 M HN 0.602 nan 8.290 nan 0.000 0.436 75 F N 2.266 122.208 119.950 -0.013 0.000 2.508 75 F HA 0.568 5.095 4.527 0.000 0.000 0.325 75 F C -0.096 175.703 175.800 -0.002 0.000 1.090 75 F CA -0.490 57.520 58.000 0.017 0.000 0.945 75 F CB 1.465 40.455 39.000 -0.018 0.000 1.156 75 F HN 0.457 nan 8.300 nan 0.000 0.463 76 D N 2.642 123.139 120.400 0.161 0.000 2.879 76 D HA 0.229 4.869 4.640 0.000 0.000 0.236 76 D C 0.542 176.869 176.300 0.046 0.000 1.171 76 D CA -0.351 53.696 54.000 0.077 0.000 0.868 76 D CB 2.518 43.346 40.800 0.048 0.000 1.598 76 D HN 0.649 nan 8.370 nan 0.000 0.497 77 I N 1.965 122.516 120.570 -0.032 0.000 2.493 77 I HA -0.000 4.170 4.170 0.000 0.000 0.254 77 I C 1.152 177.232 176.117 -0.062 0.000 1.160 77 I CA 0.873 62.106 61.300 -0.113 0.000 1.445 77 I CB 0.152 37.965 38.000 -0.312 0.000 1.086 77 I HN 0.339 nan 8.210 nan 0.000 0.433 78 G N -0.127 108.659 108.800 -0.024 0.000 2.537 78 G HA2 0.394 4.354 3.960 0.000 0.000 0.297 78 G HA3 0.394 4.354 3.960 0.000 0.000 0.297 78 G C -0.861 174.061 174.900 0.036 0.000 1.310 78 G CA -0.420 44.690 45.100 0.018 0.000 1.027 78 G HN 0.302 nan 8.290 nan 0.000 0.505 79 E N -1.455 118.772 120.200 0.045 0.000 2.320 79 E HA 0.381 4.731 4.350 0.000 0.000 0.264 79 E C -0.578 176.049 176.600 0.044 0.000 0.923 79 E CA -0.751 55.676 56.400 0.045 0.000 0.796 79 E CB 2.539 32.268 29.700 0.048 0.000 1.262 79 E HN 0.273 nan 8.360 nan 0.000 0.428 80 I N 2.549 123.143 120.570 0.039 0.000 2.517 80 I HA 0.017 4.187 4.170 0.000 0.000 0.285 80 I C -0.099 176.047 176.117 0.049 0.000 1.106 80 I CA 0.654 61.979 61.300 0.041 0.000 1.402 80 I CB 0.153 38.170 38.000 0.030 0.000 1.399 80 I HN 0.511 nan 8.210 nan 0.000 0.535 81 D N 2.906 123.342 120.400 0.060 0.000 3.279 81 D HA 0.029 4.669 4.640 0.000 0.000 0.336 81 D C -0.170 176.186 176.300 0.093 0.000 1.512 81 D CA -0.303 53.739 54.000 0.071 0.000 0.754 81 D CB -0.047 40.794 40.800 0.068 0.000 1.278 81 D HN 0.241 nan 8.370 nan 0.000 0.553 82 S N -0.146 115.612 115.700 0.096 0.000 2.754 82 S HA 0.628 5.098 4.470 0.000 0.000 0.247 82 S C 0.826 175.498 174.600 0.120 0.000 1.031 82 S CA 0.079 58.354 58.200 0.125 0.000 1.014 82 S CB 0.789 64.063 63.200 0.124 0.000 0.918 82 S HN 0.894 nan 8.310 nan 0.000 0.519 83 G N 1.380 110.238 108.800 0.097 0.000 2.632 83 G HA2 -0.214 3.746 3.960 0.000 0.000 0.224 83 G HA3 -0.214 3.746 3.960 0.000 0.000 0.224 83 G C 0.273 175.209 174.900 0.061 0.000 1.341 83 G CA -0.289 44.860 45.100 0.082 0.000 0.880 83 G HN 0.294 nan 8.290 nan 0.000 0.566 84 L N 0.245 121.498 121.223 0.050 0.000 2.395 84 L HA 0.123 4.463 4.340 0.000 0.000 0.218 84 L C 1.472 178.357 176.870 0.024 0.000 1.130 84 L CA 0.881 55.739 54.840 0.030 0.000 0.826 84 L CB -0.298 41.774 42.059 0.022 0.000 0.941 84 L HN 0.318 nan 8.230 nan 0.000 0.451 85 K N 1.776 122.200 120.400 0.041 0.000 2.250 85 K HA 0.312 4.632 4.320 0.000 0.000 0.285 85 K C -0.303 176.322 176.600 0.042 0.000 1.097 85 K CA -0.191 56.116 56.287 0.035 0.000 0.913 85 K CB 0.782 33.317 32.500 0.058 0.000 1.179 85 K HN 0.090 nan 8.250 nan 0.000 0.462 86 I N 2.101 122.680 120.570 0.015 0.000 2.587 86 I HA -0.040 4.130 4.170 0.000 0.000 0.284 86 I C 1.321 177.459 176.117 0.035 0.000 1.134 86 I CA 0.664 61.977 61.300 0.023 0.000 1.410 86 I CB 0.377 38.381 38.000 0.006 0.000 1.392 86 I HN 0.955 nan 8.210 nan 0.000 0.545 87 G N 4.338 113.171 108.800 0.055 0.000 2.143 87 G HA2 -0.195 3.765 3.960 0.000 0.000 0.248 87 G HA3 -0.195 3.765 3.960 0.000 0.000 0.248 87 G C 0.292 175.245 174.900 0.088 0.000 0.991 87 G CA 0.050 45.187 45.100 0.061 0.000 0.689 87 G HN 0.960 nan 8.290 nan 0.000 0.522 88 A N -0.348 122.540 122.820 0.114 0.000 2.287 88 A HA 0.630 4.950 4.320 0.000 0.000 0.273 88 A C 0.583 178.298 177.584 0.218 0.000 1.091 88 A CA -0.347 51.794 52.037 0.173 0.000 0.817 88 A CB 0.315 19.416 19.000 0.168 0.000 1.069 88 A HN 0.614 nan 8.150 nan 0.000 0.492 89 H N 0.515 119.719 119.070 0.223 0.000 2.929 89 H HA 0.086 4.642 4.556 0.000 0.000 0.317 89 H C 0.683 176.141 175.328 0.216 0.000 1.031 89 H CA 0.812 57.006 56.048 0.243 0.000 1.466 89 H CB 0.793 30.714 29.762 0.265 0.000 1.482 89 H HN 0.677 nan 8.280 nan 0.000 0.561 90 K N 3.516 124.127 120.400 0.351 0.000 2.439 90 K HA -0.088 4.232 4.320 0.000 0.000 0.197 90 K C 1.705 178.562 176.600 0.428 0.000 1.041 90 K CA 0.553 57.100 56.287 0.434 0.000 0.970 90 K CB 0.370 33.152 32.500 0.470 0.000 0.773 90 K HN 0.408 nan 8.250 nan 0.000 0.479 91 K N 0.957 121.466 120.400 0.182 0.000 2.486 91 K HA -0.002 4.318 4.320 0.000 0.000 0.194 91 K C 0.468 177.081 176.600 0.022 0.000 1.033 91 K CA 0.514 56.578 56.287 -0.370 0.000 1.004 91 K CB 0.258 32.150 32.500 -1.014 0.000 0.798 91 K HN -0.007 nan 8.250 nan 0.000 0.495 92 N N 1.636 120.448 118.700 0.187 0.000 2.410 92 N HA -0.023 4.717 4.740 0.000 0.000 0.231 92 N C -0.674 175.055 175.510 0.364 0.000 1.172 92 N CA 0.309 53.481 53.050 0.203 0.000 0.849 92 N CB 0.564 39.228 38.487 0.295 0.000 1.116 92 N HN 0.270 nan 8.380 nan 0.000 0.485 93 T N -4.029 110.722 114.554 0.329 0.000 2.929 93 T HA 0.320 4.670 4.350 0.000 0.000 0.284 93 T C 1.591 176.476 174.700 0.309 0.000 1.014 93 T CA -0.763 61.522 62.100 0.308 0.000 1.051 93 T CB 1.666 70.667 68.868 0.222 0.000 1.028 93 T HN -0.189 nan 8.240 nan 0.000 0.485 94 V N 1.276 121.368 119.914 0.297 0.000 2.392 94 V HA -0.112 4.008 4.120 0.000 0.000 0.249 94 V C 2.816 178.987 176.094 0.128 0.000 1.059 94 V CA 2.260 64.720 62.300 0.267 0.000 1.051 94 V CB -1.059 30.859 31.823 0.158 0.000 0.658 94 V HN 1.010 nan 8.190 nan 0.000 0.455 95 E N -0.163 120.053 120.200 0.027 0.000 2.077 95 E HA -0.203 4.147 4.350 0.000 0.000 0.193 95 E C 1.974 178.510 176.600 -0.107 0.000 0.989 95 E CA 1.670 58.016 56.400 -0.091 0.000 0.800 95 E CB -0.335 29.239 29.700 -0.210 0.000 0.746 95 E HN 0.691 nan 8.360 nan 0.000 0.452 96 Y N 0.550 120.920 120.300 0.117 0.000 2.439 96 Y HA -0.002 4.548 4.550 0.000 0.000 0.292 96 Y C 2.165 178.083 175.900 0.030 0.000 1.130 96 Y CA 0.865 59.023 58.100 0.097 0.000 1.254 96 Y CB -0.084 38.445 38.460 0.115 0.000 1.000 96 Y HN 0.117 nan 8.280 nan 0.000 0.554 97 Q N 0.224 120.102 119.800 0.130 0.000 2.230 97 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 97 Q C 1.604 177.656 176.000 0.087 0.000 0.963 97 Q CA 1.051 56.878 55.803 0.040 0.000 0.866 97 Q CB -0.075 28.619 28.738 -0.075 0.000 0.931 97 Q HN 0.484 nan 8.270 nan 0.000 0.452 98 K N 0.246 120.705 120.400 0.099 0.000 2.356 98 K HA 0.083 4.403 4.320 0.000 0.000 0.195 98 K C 0.375 177.025 176.600 0.084 0.000 1.037 98 K CA 0.232 56.567 56.287 0.080 0.000 1.014 98 K CB 0.515 33.051 32.500 0.061 0.000 0.815 98 K HN 0.073 nan 8.250 nan 0.000 0.507 99 N N 1.306 120.078 118.700 0.121 0.000 2.703 99 N HA 0.055 4.795 4.740 0.000 0.000 0.283 99 N C 0.317 175.969 175.510 0.236 0.000 1.851 99 N CA 0.048 53.186 53.050 0.148 0.000 0.826 99 N CB 1.003 39.563 38.487 0.121 0.000 1.239 99 N HN 0.057 nan 8.380 nan 0.000 0.495 100 I N 0.501 121.187 120.570 0.192 0.000 2.163 100 I HA -0.260 3.910 4.170 0.000 0.000 0.243 100 I C 0.945 177.192 176.117 0.217 0.000 1.085 100 I CA 1.856 63.270 61.300 0.190 0.000 1.347 100 I CB 0.305 38.380 38.000 0.125 0.000 1.044 100 I HN 0.101 nan 8.210 nan 0.000 0.408 101 D N 1.069 121.592 120.400 0.205 0.000 2.263 101 D HA -0.153 4.487 4.640 0.000 0.000 0.208 101 D C 2.046 178.441 176.300 0.159 0.000 0.971 101 D CA 0.658 54.775 54.000 0.195 0.000 0.867 101 D CB -0.144 40.806 40.800 0.250 0.000 0.929 101 D HN 0.362 nan 8.370 nan 0.000 0.492 102 K N 0.148 120.675 120.400 0.212 0.000 2.280 102 K HA -0.114 4.206 4.320 0.000 0.000 0.202 102 K C 1.833 178.524 176.600 0.151 0.000 1.047 102 K CA 0.084 56.499 56.287 0.213 0.000 0.942 102 K CB -0.476 32.214 32.500 0.316 0.000 0.739 102 K HN 0.206 nan 8.250 nan 0.000 0.457 103 F N 1.765 121.686 119.950 -0.049 0.000 2.250 103 F HA -0.223 4.304 4.527 0.000 0.000 0.301 103 F C 1.931 177.604 175.800 -0.212 0.000 1.077 103 F CA 0.759 58.554 58.000 -0.341 0.000 1.348 103 F CB -0.189 38.591 39.000 -0.367 0.000 1.040 103 F HN -0.277 nan 8.300 nan 0.000 0.509 104 V N 0.316 120.134 119.914 -0.161 0.000 2.380 104 V HA -0.384 3.736 4.120 0.000 0.000 0.251 104 V C 1.868 177.780 176.094 -0.302 0.000 1.063 104 V CA 2.401 64.566 62.300 -0.226 0.000 1.055 104 V CB -1.046 30.665 31.823 -0.186 0.000 0.657 104 V HN 0.386 nan 8.190 nan 0.000 0.455 105 N N -0.083 118.466 118.700 -0.251 0.000 2.166 105 N HA -0.134 4.606 4.740 0.000 0.000 0.186 105 N C 1.652 176.983 175.510 -0.299 0.000 1.019 105 N CA 1.297 54.218 53.050 -0.214 0.000 0.856 105 N CB -0.276 38.147 38.487 -0.106 0.000 0.993 105 N HN 0.346 nan 8.380 nan 0.000 0.426 106 V N 1.256 120.866 119.914 -0.507 0.000 2.307 106 V HA -0.199 3.921 4.120 0.000 0.000 0.245 106 V C 2.059 177.820 176.094 -0.554 0.000 1.045 106 V CA 1.395 63.346 62.300 -0.581 0.000 1.024 106 V CB -0.528 30.682 31.823 -1.021 0.000 0.651 106 V HN 0.288 nan 8.190 nan 0.000 0.449 107 I N -0.167 119.975 120.570 -0.714 0.000 2.091 107 I HA -0.373 3.797 4.170 0.000 0.000 0.239 107 I C 2.745 178.605 176.117 -0.428 0.000 1.061 107 I CA 1.950 62.877 61.300 -0.622 0.000 1.317 107 I CB -0.519 37.175 38.000 -0.511 0.000 1.031 107 I HN 0.350 nan 8.210 nan 0.000 0.401 108 Q N 0.401 120.009 119.800 -0.320 0.000 2.135 108 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 108 Q C 2.314 178.217 176.000 -0.163 0.000 0.981 108 Q CA 1.603 57.277 55.803 -0.216 0.000 0.856 108 Q CB -0.482 28.144 28.738 -0.186 0.000 0.902 108 Q HN 0.680 nan 8.270 nan 0.000 0.425 109 G N 1.143 109.844 108.800 -0.165 0.000 2.498 109 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 109 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 109 G C 0.984 175.841 174.900 -0.073 0.000 1.119 109 G CA 0.812 45.850 45.100 -0.104 0.000 0.766 109 G HN 0.496 nan 8.290 nan 0.000 0.552 110 Q N -0.767 118.976 119.800 -0.095 0.000 2.135 110 Q HA 0.456 4.796 4.340 0.000 0.000 0.231 110 Q C -0.319 175.676 176.000 -0.008 0.000 0.817 110 Q CA -0.279 55.509 55.803 -0.024 0.000 1.073 110 Q CB 0.199 28.950 28.738 0.022 0.000 1.176 110 Q HN 0.249 nan 8.270 nan 0.000 0.478 111 L N 1.999 123.193 121.223 -0.049 0.000 2.318 111 L HA 0.524 4.864 4.340 0.000 0.000 0.277 111 L C -1.029 175.844 176.870 0.005 0.000 1.008 111 L CA -0.833 53.998 54.840 -0.015 0.000 0.846 111 L CB 1.418 43.435 42.059 -0.070 0.000 1.220 111 L HN 0.218 nan 8.230 nan 0.000 0.423 112 M N 2.136 121.765 119.600 0.047 0.000 2.129 112 M HA 0.278 4.758 4.480 0.000 0.000 0.348 112 M C 0.287 176.625 176.300 0.062 0.000 1.116 112 M CA 0.017 55.351 55.300 0.057 0.000 1.022 112 M CB 1.579 34.234 32.600 0.093 0.000 1.599 112 M HN 0.306 nan 8.290 nan 0.000 0.449 113 S N 1.823 117.548 115.700 0.040 0.000 2.552 113 S HA 0.087 4.557 4.470 0.000 0.000 0.289 113 S C 1.475 176.111 174.600 0.061 0.000 1.304 113 S CA -0.570 57.654 58.200 0.041 0.000 1.063 113 S CB 0.553 63.765 63.200 0.019 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.462 122.423 119.914 0.079 0.000 2.283 114 V HA 0.011 4.131 4.120 0.000 0.000 0.243 114 V C 1.187 177.287 176.094 0.011 0.000 1.039 114 V CA 1.381 63.721 62.300 0.068 0.000 1.016 114 V CB -0.000 31.899 31.823 0.127 0.000 0.650 114 V HN 0.780 nan 8.190 nan 0.000 0.449 115 S N -0.503 115.222 115.700 0.041 0.000 2.776 115 S HA 0.538 5.008 4.470 0.000 0.000 0.284 115 S C -1.118 173.485 174.600 0.005 0.000 1.160 115 S CA -0.457 57.730 58.200 -0.022 0.000 1.051 115 S CB 1.489 64.637 63.200 -0.087 0.000 1.037 115 S HN 0.014 nan 8.310 nan 0.000 0.485 116 V N 7.887 127.792 119.914 -0.016 0.000 2.357 116 V HA 0.544 4.664 4.120 0.000 0.000 0.284 116 V C -1.964 174.113 176.094 -0.029 0.000 1.018 116 V CA -1.822 60.468 62.300 -0.017 0.000 0.841 116 V CB 1.454 33.267 31.823 -0.017 0.000 0.991 116 V HN 0.709 nan 8.190 nan 0.000 0.437 117 P HA 0.159 nan 4.420 nan 0.000 0.274 117 P C -0.168 177.106 177.300 -0.043 0.000 1.246 117 P CA -0.114 62.967 63.100 -0.033 0.000 0.795 117 P CB 0.955 32.636 31.700 -0.030 0.000 1.006 118 V N 2.636 122.527 119.914 -0.038 0.000 2.599 118 V HA -0.036 4.084 4.120 0.000 0.000 0.300 118 V C 1.275 177.316 176.094 -0.087 0.000 1.034 118 V CA 0.212 62.484 62.300 -0.046 0.000 1.115 118 V CB -0.630 31.185 31.823 -0.013 0.000 0.934 118 V HN 0.630 nan 8.190 nan 0.000 0.485 119 N N 3.647 122.287 118.700 -0.101 0.000 2.488 119 N HA 0.106 4.846 4.740 0.000 0.000 0.274 119 N C 0.615 175.949 175.510 -0.293 0.000 1.111 119 N CA 0.338 53.301 53.050 -0.146 0.000 0.974 119 N CB 1.608 40.039 38.487 -0.093 0.000 1.089 119 N HN 0.850 nan 8.380 nan 0.000 0.465 120 T N 0.969 115.229 114.554 -0.490 0.000 3.182 120 T HA 0.139 4.489 4.350 0.000 0.000 0.277 120 T C 0.501 174.674 174.700 -0.878 0.000 1.013 120 T CA -0.524 60.861 62.100 -1.191 0.000 0.900 120 T CB -0.111 68.237 68.868 -0.867 0.000 1.098 120 T HN 0.236 nan 8.240 nan 0.000 0.543 121 L N 2.969 123.975 121.223 -0.362 0.000 2.416 121 L HA 0.442 4.782 4.340 0.000 0.000 0.272 121 L C -0.204 176.700 176.870 0.057 0.000 1.161 121 L CA -0.601 54.163 54.840 -0.127 0.000 0.845 121 L CB 0.762 42.784 42.059 -0.061 0.000 1.119 121 L HN 0.130 nan 8.230 nan 0.000 0.464 122 V N 6.338 126.314 119.914 0.103 0.000 2.432 122 V HA 0.246 4.366 4.120 0.000 0.000 0.271 122 V C -0.031 176.129 176.094 0.110 0.000 1.046 122 V CA -0.587 61.829 62.300 0.193 0.000 0.945 122 V CB 1.240 33.154 31.823 0.152 0.000 0.992 122 V HN 0.514 nan 8.190 nan 0.000 0.471 123 V N 5.426 125.406 119.914 0.110 0.000 2.311 123 V HA 0.338 4.458 4.120 0.000 0.000 0.275 123 V C 0.271 176.392 176.094 0.046 0.000 1.022 123 V CA -0.415 61.924 62.300 0.066 0.000 0.830 123 V CB 1.303 33.164 31.823 0.063 0.000 1.012 123 V HN 1.065 nan 8.190 nan 0.000 0.452 124 D N 2.081 122.501 120.400 0.034 0.000 2.538 124 D HA 0.012 4.652 4.640 0.000 0.000 0.231 124 D C 1.071 177.379 176.300 0.013 0.000 1.229 124 D CA 0.200 54.212 54.000 0.019 0.000 0.828 124 D CB 0.412 41.223 40.800 0.018 0.000 1.035 124 D HN 0.552 nan 8.370 nan 0.000 0.495 125 T N -1.795 112.769 114.554 0.017 0.000 3.228 125 T HA 0.352 4.702 4.350 0.000 0.000 0.278 125 T C 0.592 175.302 174.700 0.017 0.000 1.014 125 T CA -0.539 61.569 62.100 0.015 0.000 0.904 125 T CB -0.273 68.604 68.868 0.015 0.000 1.110 125 T HN 0.007 nan 8.240 nan 0.000 0.541 126 L N 1.864 123.097 121.223 0.018 0.000 2.452 126 L HA 0.383 4.723 4.340 0.000 0.000 0.267 126 L C 1.105 177.984 176.870 0.016 0.000 1.188 126 L CA -0.642 54.211 54.840 0.022 0.000 0.821 126 L CB 0.630 42.705 42.059 0.027 0.000 1.102 126 L HN 0.230 nan 8.230 nan 0.000 0.470 127 S N 1.791 117.503 115.700 0.020 0.000 2.558 127 S HA 0.071 4.541 4.470 0.000 0.000 0.288 127 S C -1.448 173.158 174.600 0.011 0.000 1.318 127 S CA -0.977 57.233 58.200 0.016 0.000 1.056 127 S CB 0.705 63.918 63.200 0.021 0.000 0.853 127 S HN 0.400 nan 8.310 nan 0.000 0.505 128 P HA -0.087 nan 4.420 nan 0.000 0.220 128 P C 1.392 178.693 177.300 0.001 0.000 1.144 128 P CA 1.370 64.467 63.100 -0.005 0.000 0.800 128 P CB -0.216 31.480 31.700 -0.006 0.000 0.772 129 T N -5.464 109.099 114.554 0.015 0.000 3.023 129 T HA 0.061 4.411 4.350 0.000 0.000 0.266 129 T C 1.046 175.777 174.700 0.051 0.000 1.093 129 T CA 0.183 62.300 62.100 0.028 0.000 1.129 129 T CB -0.647 68.239 68.868 0.030 0.000 0.899 129 T HN -0.092 nan 8.240 nan 0.000 0.491 130 S N 1.443 117.175 115.700 0.054 0.000 2.564 130 S HA 0.284 4.754 4.470 0.000 0.000 0.278 130 S C -0.561 174.113 174.600 0.123 0.000 1.333 130 S CA -0.989 57.269 58.200 0.097 0.000 1.048 130 S CB 0.131 63.383 63.200 0.086 0.000 0.900 130 S HN 0.597 nan 8.310 nan 0.000 0.505 131 W N 3.277 124.584 121.300 0.010 0.000 2.251 131 W HA 0.202 4.862 4.660 0.000 0.000 0.327 131 W C -0.048 176.483 176.519 0.020 0.000 1.361 131 W CA 0.219 57.569 57.345 0.009 0.000 1.234 131 W CB 0.393 29.858 29.460 0.008 0.000 1.212 131 W HN 0.385 nan 8.180 nan 0.000 0.557 132 Q N 4.489 123.905 119.800 -0.641 0.000 2.315 132 Q HA 0.465 4.805 4.340 0.000 0.000 0.273 132 Q C -0.421 174.850 176.000 -1.215 0.000 1.053 132 Q CA -0.725 54.695 55.803 -0.638 0.000 0.817 132 Q CB 1.902 30.467 28.738 -0.289 0.000 1.326 132 Q HN 0.630 nan 8.270 nan 0.000 0.423 133 A N 1.159 123.460 122.820 -0.865 0.000 2.346 133 A HA 0.321 4.641 4.320 0.000 0.000 0.252 133 A C 0.736 178.132 177.584 -0.314 0.000 1.089 133 A CA 0.008 51.745 52.037 -0.500 0.000 0.797 133 A CB 0.363 19.414 19.000 0.085 0.000 1.047 133 A HN 0.705 nan 8.150 nan 0.000 0.494 134 S N -0.536 115.019 115.700 -0.241 0.000 2.575 134 S HA 0.154 4.624 4.470 0.000 0.000 0.215 134 S C 0.632 175.122 174.600 -0.182 0.000 0.966 134 S CA 0.685 58.765 58.200 -0.201 0.000 0.911 134 S CB -0.400 62.708 63.200 -0.154 0.000 0.780 134 S HN 1.096 nan 8.310 nan 0.000 0.514 135 T N -1.617 112.858 114.554 -0.132 0.000 2.841 135 T HA 0.631 4.981 4.350 0.000 0.000 0.296 135 T C -0.858 173.777 174.700 -0.108 0.000 1.166 135 T CA -0.757 61.276 62.100 -0.113 0.000 1.007 135 T CB 0.707 69.611 68.868 0.060 0.000 1.253 135 T HN -0.086 nan 8.240 nan 0.000 0.511 136 F N 2.977 122.996 119.950 0.114 0.000 2.605 136 F HA 0.400 4.927 4.527 0.000 0.000 0.352 136 F C 0.387 176.217 175.800 0.049 0.000 1.236 136 F CA -1.779 56.244 58.000 0.037 0.000 1.267 136 F CB -0.866 38.134 39.000 -0.001 0.000 1.632 136 F HN 0.570 nan 8.300 nan 0.000 0.639 137 F N -0.692 119.355 119.950 0.162 0.000 2.375 137 F HA 0.615 5.142 4.527 0.000 0.000 0.313 137 F C -0.097 175.772 175.800 0.116 0.000 1.176 137 F CA -1.581 56.491 58.000 0.120 0.000 1.142 137 F CB -0.043 39.017 39.000 0.101 0.000 1.275 137 F HN -0.173 nan 8.300 nan 0.000 0.544 138 V N 2.872 122.918 119.914 0.219 0.000 2.403 138 V HA 0.296 4.416 4.120 0.000 0.000 0.265 138 V C 0.099 176.218 176.094 0.041 0.000 1.034 138 V CA -0.054 62.297 62.300 0.086 0.000 1.036 138 V CB -0.743 31.154 31.823 0.123 0.000 1.032 138 V HN 0.715 nan 8.190 nan 0.000 0.478 139 R N 3.851 124.272 120.500 -0.131 0.000 2.744 139 R HA 0.470 4.810 4.340 0.000 0.000 0.279 139 R C 0.061 176.314 176.300 -0.079 0.000 0.977 139 R CA -0.916 55.067 56.100 -0.195 0.000 0.906 139 R CB 1.390 31.428 30.300 -0.437 0.000 1.197 139 R HN 0.668 nan 8.270 nan 0.000 0.463 140 N N 0.684 119.364 118.700 -0.033 0.000 2.747 140 N HA -0.182 4.558 4.740 0.000 0.000 0.249 140 N C 0.497 175.996 175.510 -0.018 0.000 1.107 140 N CA 1.512 54.547 53.050 -0.025 0.000 0.707 140 N CB -1.154 37.311 38.487 -0.038 0.000 1.054 140 N HN 1.086 nan 8.380 nan 0.000 0.555 141 G N -1.660 107.136 108.800 -0.007 0.000 2.184 141 G HA2 -0.334 3.626 3.960 0.000 0.000 0.264 141 G HA3 -0.334 3.626 3.960 0.000 0.000 0.264 141 G C 0.269 175.163 174.900 -0.009 0.000 0.975 141 G CA 1.050 46.147 45.100 -0.004 0.000 0.642 141 G HN 1.413 nan 8.290 nan 0.000 0.536 142 S N -0.440 115.249 115.700 -0.018 0.000 2.579 142 S HA 0.427 4.897 4.470 0.000 0.000 0.275 142 S C 0.163 174.753 174.600 -0.017 0.000 1.345 142 S CA 0.191 58.377 58.200 -0.024 0.000 1.031 142 S CB 1.661 64.839 63.200 -0.037 0.000 0.892 142 S HN 0.706 nan 8.310 nan 0.000 0.529 143 N N 2.447 121.129 118.700 -0.029 0.000 2.527 143 N HA 0.358 5.098 4.740 0.000 0.000 0.236 143 N C -1.611 173.882 175.510 -0.028 0.000 0.999 143 N CA -2.554 50.472 53.050 -0.041 0.000 0.935 143 N CB 1.198 39.633 38.487 -0.086 0.000 1.132 143 N HN 0.382 nan 8.380 nan 0.000 0.511 144 P HA -0.054 nan 4.420 nan 0.000 0.230 144 P C 0.322 177.643 177.300 0.034 0.000 1.158 144 P CA 0.833 63.949 63.100 0.026 0.000 0.769 144 P CB 0.562 32.292 31.700 0.051 0.000 0.807 145 E N -0.160 120.046 120.200 0.010 0.000 2.274 145 E HA -0.098 4.252 4.350 0.000 0.000 0.194 145 E C 0.925 177.529 176.600 0.007 0.000 0.996 145 E CA 0.613 57.036 56.400 0.039 0.000 0.840 145 E CB -0.153 29.506 29.700 -0.067 0.000 0.772 145 E HN 0.311 nan 8.360 nan 0.000 0.491 146 Q N 2.217 121.987 119.800 -0.051 0.000 2.314 146 Q HA 0.033 4.373 4.340 0.000 0.000 0.257 146 Q C -0.823 175.182 176.000 0.009 0.000 0.975 146 Q CA -0.210 55.562 55.803 -0.052 0.000 0.933 146 Q CB 0.763 29.457 28.738 -0.072 0.000 1.195 146 Q HN -0.193 nan 8.270 nan 0.000 0.426 147 D N 5.899 126.324 120.400 0.042 0.000 2.371 147 D HA 0.048 4.688 4.640 0.000 0.000 0.256 147 D C -1.685 174.631 176.300 0.026 0.000 1.193 147 D CA -1.813 52.213 54.000 0.043 0.000 0.881 147 D CB 1.315 42.154 40.800 0.065 0.000 1.143 147 D HN 0.433 nan 8.370 nan 0.000 0.473 148 P HA -0.076 nan 4.420 nan 0.000 0.223 148 P C 1.257 178.560 177.300 0.005 0.000 1.151 148 P CA 0.697 63.796 63.100 -0.002 0.000 0.787 148 P CB 0.313 31.999 31.700 -0.022 0.000 0.788 149 L N -1.192 120.038 121.223 0.011 0.000 2.592 149 L HA 0.181 4.521 4.340 0.000 0.000 0.227 149 L C 1.410 178.294 176.870 0.024 0.000 1.127 149 L CA 0.230 55.078 54.840 0.013 0.000 0.884 149 L CB -0.183 41.880 42.059 0.006 0.000 1.065 149 L HN -0.161 nan 8.230 nan 0.000 0.457 150 R N 0.026 120.550 120.500 0.040 0.000 2.772 150 R HA 0.227 4.567 4.340 0.000 0.000 0.358 150 R C -0.528 175.831 176.300 0.097 0.000 1.143 150 R CA -0.262 55.874 56.100 0.060 0.000 1.153 150 R CB 0.351 30.688 30.300 0.063 0.000 1.329 150 R HN 0.040 nan 8.270 nan 0.000 0.615 151 N N 0.585 119.322 118.700 0.061 0.000 2.432 151 N HA 0.373 5.113 4.740 0.000 0.000 0.292 151 N C -0.736 174.702 175.510 -0.121 0.000 1.193 151 N CA -0.674 52.398 53.050 0.037 0.000 0.878 151 N CB 1.343 39.848 38.487 0.029 0.000 1.252 151 N HN 0.098 nan 8.380 nan 0.000 0.520 152 L N 2.217 123.212 121.223 -0.380 0.000 2.475 152 L HA 0.206 4.546 4.340 0.000 0.000 0.253 152 L C 1.433 178.128 176.870 -0.292 0.000 1.137 152 L CA -0.274 54.214 54.840 -0.586 0.000 1.058 152 L CB 0.305 41.600 42.059 -1.273 0.000 1.382 152 L HN 0.657 nan 8.230 nan 0.000 0.416 153 S N -0.115 115.505 115.700 -0.133 0.000 2.419 153 S HA -0.113 4.357 4.470 0.000 0.000 0.233 153 S C 1.783 176.350 174.600 -0.054 0.000 1.016 153 S CA 0.960 59.127 58.200 -0.056 0.000 0.974 153 S CB -0.170 63.010 63.200 -0.033 0.000 0.786 153 S HN 0.633 nan 8.310 nan 0.000 0.492 154 G N 0.524 109.277 108.800 -0.078 0.000 2.813 154 G HA2 0.089 4.049 3.960 0.000 0.000 0.209 154 G HA3 0.089 4.049 3.960 0.000 0.000 0.209 154 G C 0.567 175.435 174.900 -0.053 0.000 1.150 154 G CA -0.290 44.776 45.100 -0.057 0.000 0.785 154 G HN 0.365 nan 8.290 nan 0.000 0.535 155 Q N 0.507 120.253 119.800 -0.091 0.000 2.330 155 Q HA 0.497 4.837 4.340 0.000 0.000 0.279 155 Q C -0.070 175.952 176.000 0.036 0.000 1.024 155 Q CA 0.388 56.163 55.803 -0.047 0.000 0.900 155 Q CB 1.371 30.051 28.738 -0.096 0.000 1.221 155 Q HN 0.303 nan 8.270 nan 0.000 0.396 156 A N 1.759 124.610 122.820 0.050 0.000 2.610 156 A HA 0.709 5.029 4.320 0.000 0.000 0.291 156 A C -1.162 176.470 177.584 0.080 0.000 1.086 156 A CA -0.477 51.597 52.037 0.062 0.000 0.677 156 A CB 1.206 20.229 19.000 0.038 0.000 1.278 156 A HN 0.479 nan 8.150 nan 0.000 0.414 157 V N -2.139 117.836 119.914 0.100 0.000 2.962 157 V HA 0.940 5.060 4.120 0.000 0.000 0.313 157 V C -0.480 175.701 176.094 0.146 0.000 1.099 157 V CA -0.551 61.828 62.300 0.131 0.000 0.971 157 V CB 1.622 33.554 31.823 0.182 0.000 1.028 157 V HN 0.919 nan 8.190 nan 0.000 0.430 158 T N 2.979 117.623 114.554 0.151 0.000 2.786 158 T HA 0.559 4.909 4.350 0.000 0.000 0.283 158 T C -0.241 174.522 174.700 0.106 0.000 0.992 158 T CA -0.452 61.731 62.100 0.139 0.000 0.954 158 T CB 0.971 69.947 68.868 0.180 0.000 0.934 158 T HN 0.751 nan 8.240 nan 0.000 0.440 159 R N 2.728 123.281 120.500 0.088 0.000 2.575 159 R HA 0.570 4.910 4.340 0.000 0.000 0.281 159 R C -0.611 175.718 176.300 0.049 0.000 1.272 159 R CA -0.552 55.575 56.100 0.045 0.000 1.417 159 R CB 0.679 30.988 30.300 0.015 0.000 1.121 159 R HN 0.523 nan 8.270 nan 0.000 0.583 160 V N -1.898 118.044 119.914 0.046 0.000 3.178 160 V HA 0.453 4.573 4.120 0.000 0.000 0.302 160 V C -0.100 176.017 176.094 0.038 0.000 1.262 160 V CA -1.108 61.221 62.300 0.048 0.000 1.030 160 V CB 2.032 33.892 31.823 0.062 0.000 1.074 160 V HN 0.099 nan 8.190 nan 0.000 0.438 161 V N 3.346 123.284 119.914 0.041 0.000 2.585 161 V HA 0.516 4.636 4.120 0.000 0.000 0.296 161 V C 1.741 177.856 176.094 0.036 0.000 1.035 161 V CA 1.898 64.221 62.300 0.040 0.000 1.084 161 V CB 0.131 31.980 31.823 0.043 0.000 0.953 161 V HN 2.102 nan 8.190 nan 0.000 0.483 162 G N 3.298 112.114 108.800 0.027 0.000 2.217 162 G HA2 -0.024 3.936 3.960 0.000 0.000 0.246 162 G HA3 -0.024 3.936 3.960 0.000 0.000 0.246 162 G C 1.045 175.922 174.900 -0.039 0.000 0.990 162 G CA 0.340 45.444 45.100 0.006 0.000 0.627 162 G HN 2.173 nan 8.290 nan 0.000 0.522 163 G N 0.024 108.811 108.800 -0.022 0.000 2.582 163 G HA2 -0.251 3.709 3.960 0.000 0.000 0.288 163 G HA3 -0.251 3.709 3.960 0.000 0.000 0.288 163 G C 1.112 175.949 174.900 -0.106 0.000 1.247 163 G CA 1.144 46.222 45.100 -0.037 0.000 0.972 163 G HN 1.116 nan 8.290 nan 0.000 0.557 164 M N 1.583 121.079 119.600 -0.173 0.000 2.557 164 M HA 0.021 4.501 4.480 0.000 0.000 0.259 164 M C 2.647 178.593 176.300 -0.590 0.000 1.086 164 M CA 1.649 56.701 55.300 -0.414 0.000 1.096 164 M CB -0.166 32.290 32.600 -0.240 0.000 1.424 164 M HN 0.720 nan 8.290 nan 0.000 0.488 165 S N -0.495 114.922 115.700 -0.471 0.000 2.555 165 S HA -0.065 4.405 4.470 0.000 0.000 0.230 165 S C 1.719 176.197 174.600 -0.203 0.000 0.978 165 S CA 1.118 58.955 58.200 -0.605 0.000 0.934 165 S CB -0.912 61.963 63.200 -0.542 0.000 0.766 165 S HN 0.575 nan 8.310 nan 0.000 0.533 166 T N -0.573 113.858 114.554 -0.206 0.000 3.085 166 T HA -0.017 4.333 4.350 0.000 0.000 0.263 166 T C 1.423 175.965 174.700 -0.265 0.000 1.127 166 T CA 0.988 63.001 62.100 -0.146 0.000 1.103 166 T CB -0.699 68.171 68.868 0.002 0.000 0.921 166 T HN 0.912 nan 8.240 nan 0.000 0.510 167 H N -2.018 116.976 119.070 -0.127 0.000 3.680 167 H HA 0.201 4.757 4.556 0.000 0.000 0.260 167 H C 0.550 176.060 175.328 0.304 0.000 1.183 167 H CA -1.045 55.068 56.048 0.109 0.000 1.159 167 H CB -0.484 29.357 29.762 0.132 0.000 1.567 167 H HN 0.487 nan 8.280 nan 0.000 0.648 168 W N 2.908 124.147 121.300 -0.102 0.000 2.089 168 W HA 0.237 4.897 4.660 -0.000 0.000 0.355 168 W C -0.011 176.598 176.519 0.150 0.000 1.305 168 W CA 0.016 57.409 57.345 0.079 0.000 1.281 168 W CB -0.170 29.262 29.460 -0.047 0.000 1.183 168 W HN -0.168 nan 8.180 nan 0.000 0.604 169 T N 1.204 115.712 114.554 -0.076 0.000 3.085 169 T HA -0.026 4.324 4.350 0.000 0.000 0.263 169 T C 1.093 175.365 174.700 -0.714 0.000 1.127 169 T CA 1.167 63.060 62.100 -0.345 0.000 1.103 169 T CB -0.569 68.261 68.868 -0.063 0.000 0.921 169 T HN 0.674 nan 8.240 nan 0.000 0.510 170 C N 0.871 119.351 119.300 -1.368 0.000 4.497 170 C HA -0.113 4.347 4.460 0.000 0.000 0.268 170 C C 1.137 175.653 174.990 -0.790 0.000 1.343 170 C CA -0.726 57.265 59.018 -1.712 0.000 1.742 170 C CB -2.724 24.512 27.740 -0.839 0.000 1.450 170 C HN 0.776 nan 8.230 nan 0.000 0.733 171 A N 1.105 123.653 122.820 -0.454 0.000 2.404 171 A HA 0.570 4.890 4.320 0.000 0.000 0.273 171 A C 0.775 178.282 177.584 -0.128 0.000 1.144 171 A CA 1.065 52.986 52.037 -0.193 0.000 0.806 171 A CB 0.192 19.136 19.000 -0.094 0.000 1.080 171 A HN 1.380 nan 8.150 nan 0.000 0.509 172 T N 1.481 115.979 114.554 -0.092 0.000 3.504 172 T HA 0.505 4.855 4.350 0.000 0.000 0.286 172 T C -2.719 171.950 174.700 -0.052 0.000 1.530 172 T CA -1.513 60.575 62.100 -0.021 0.000 1.652 172 T CB 0.496 69.384 68.868 0.033 0.000 0.895 172 T HN 0.438 nan 8.240 nan 0.000 0.674 173 P HA 0.369 nan 4.420 nan 0.000 0.277 173 P C -0.148 177.033 177.300 -0.199 0.000 1.240 173 P CA -0.584 62.430 63.100 -0.144 0.000 0.798 173 P CB 1.092 32.673 31.700 -0.199 0.000 0.979 174 R N 0.945 121.241 120.500 -0.340 0.000 2.582 174 R HA 0.379 4.719 4.340 0.000 0.000 0.271 174 R C 0.117 176.314 176.300 -0.171 0.000 1.078 174 R CA -0.458 55.252 56.100 -0.650 0.000 1.127 174 R CB 0.159 29.888 30.300 -0.951 0.000 1.038 174 R HN 0.369 nan 8.270 nan 0.000 0.500 175 F N 1.939 121.676 119.950 -0.355 0.000 2.412 175 F HA 0.034 4.561 4.527 0.000 0.000 0.348 175 F C 1.010 176.638 175.800 -0.287 0.000 1.102 175 F CA -1.390 56.429 58.000 -0.301 0.000 1.196 175 F CB 0.212 39.027 39.000 -0.308 0.000 1.144 175 F HN 0.543 nan 8.300 nan 0.000 0.541 176 D N 2.527 122.862 120.400 -0.107 0.000 2.398 176 D HA 0.134 4.774 4.640 0.000 0.000 0.247 176 D C 1.057 177.279 176.300 -0.130 0.000 1.227 176 D CA -0.428 53.508 54.000 -0.107 0.000 0.980 176 D CB 0.578 41.330 40.800 -0.080 0.000 1.106 176 D HN 0.467 nan 8.370 nan 0.000 0.493 177 R N -0.172 120.275 120.500 -0.089 0.000 2.096 177 R HA -0.171 4.169 4.340 0.000 0.000 0.240 177 R C 2.050 178.299 176.300 -0.085 0.000 1.139 177 R CA 1.629 57.682 56.100 -0.078 0.000 0.952 177 R CB -0.284 30.002 30.300 -0.023 0.000 0.854 177 R HN 0.633 nan 8.270 nan 0.000 0.436 178 E N 0.535 120.685 120.200 -0.083 0.000 2.147 178 E HA -0.262 4.088 4.350 0.000 0.000 0.199 178 E C 1.729 178.225 176.600 -0.174 0.000 1.005 178 E CA 1.491 57.841 56.400 -0.082 0.000 0.810 178 E CB 0.029 29.715 29.700 -0.023 0.000 0.736 178 E HN 0.477 nan 8.360 nan 0.000 0.460 179 Q N -0.550 119.055 119.800 -0.326 0.000 2.319 179 Q HA 0.104 4.444 4.340 0.000 0.000 0.202 179 Q C 0.482 176.381 176.000 -0.169 0.000 0.896 179 Q CA -0.089 55.453 55.803 -0.435 0.000 0.942 179 Q CB 0.605 28.776 28.738 -0.944 0.000 1.083 179 Q HN -0.044 nan 8.270 nan 0.000 0.510 180 R N 1.944 122.388 120.500 -0.093 0.000 2.445 180 R HA 0.318 4.657 4.340 0.000 0.000 0.308 180 R C -2.630 173.637 176.300 -0.054 0.000 0.961 180 R CA -2.130 53.903 56.100 -0.110 0.000 0.862 180 R CB 1.069 31.138 30.300 -0.386 0.000 1.144 180 R HN -0.136 nan 8.270 nan 0.000 0.447 181 P HA 0.056 nan 4.420 nan 0.000 0.272 181 P C -0.631 176.860 177.300 0.317 0.000 1.223 181 P CA -0.156 63.043 63.100 0.164 0.000 0.784 181 P CB 0.622 32.437 31.700 0.191 0.000 0.923 182 L N 2.606 123.982 121.223 0.254 0.000 2.331 182 L HA 0.182 4.522 4.340 0.000 0.000 0.278 182 L C 1.540 178.589 176.870 0.297 0.000 1.106 182 L CA -0.160 54.895 54.840 0.357 0.000 0.824 182 L CB 0.307 42.612 42.059 0.410 0.000 1.142 182 L HN 0.371 nan 8.230 nan 0.000 0.443 183 L N 3.683 125.111 121.223 0.340 0.000 2.575 183 L HA 0.205 4.545 4.340 0.000 0.000 0.228 183 L C -0.191 176.854 176.870 0.293 0.000 1.075 183 L CA 0.203 55.118 54.840 0.125 0.000 0.867 183 L CB 0.764 42.669 42.059 -0.256 0.000 1.097 183 L HN 0.319 nan 8.230 nan 0.000 0.485 184 V N 0.580 120.676 119.914 0.302 0.000 2.483 184 V HA 0.242 4.362 4.120 0.000 0.000 0.297 184 V C -0.197 175.983 176.094 0.143 0.000 1.027 184 V CA -1.079 61.337 62.300 0.192 0.000 0.855 184 V CB 1.673 33.556 31.823 0.099 0.000 0.995 184 V HN 0.083 nan 8.190 nan 0.000 0.424 185 K N 3.250 123.597 120.400 -0.088 0.000 2.412 185 K HA 0.152 4.472 4.320 0.000 0.000 0.281 185 K C 0.220 176.773 176.600 -0.079 0.000 1.027 185 K CA 0.142 56.297 56.287 -0.221 0.000 0.989 185 K CB 0.137 32.341 32.500 -0.494 0.000 0.935 185 K HN 0.760 nan 8.250 nan 0.000 0.475 186 D N 2.015 122.397 120.400 -0.031 0.000 2.811 186 D HA -0.195 4.445 4.640 0.000 0.000 0.231 186 D C -0.717 175.587 176.300 0.007 0.000 1.157 186 D CA 1.293 55.287 54.000 -0.011 0.000 0.716 186 D CB -0.577 40.203 40.800 -0.034 0.000 1.077 186 D HN 0.585 nan 8.370 nan 0.000 0.428 187 D N -1.246 119.171 120.400 0.030 0.000 2.351 187 D HA 0.417 5.057 4.640 0.000 0.000 0.235 187 D C 0.749 177.086 176.300 0.061 0.000 1.331 187 D CA 0.129 54.151 54.000 0.037 0.000 0.959 187 D CB 0.670 41.486 40.800 0.026 0.000 1.432 187 D HN -0.021 nan 8.370 nan 0.000 0.544 188 A N 2.777 125.635 122.820 0.062 0.000 1.930 188 A HA -0.119 4.201 4.320 0.000 0.000 0.217 188 A C 1.628 179.262 177.584 0.083 0.000 1.175 188 A CA 1.273 53.357 52.037 0.078 0.000 0.627 188 A CB -0.022 19.016 19.000 0.063 0.000 0.815 188 A HN 0.478 nan 8.150 nan 0.000 0.443 189 D N 0.347 120.785 120.400 0.064 0.000 2.097 189 D HA -0.080 4.560 4.640 0.000 0.000 0.195 189 D C 2.226 178.567 176.300 0.068 0.000 0.989 189 D CA 1.635 55.672 54.000 0.061 0.000 0.827 189 D CB -0.465 40.362 40.800 0.044 0.000 0.966 189 D HN 0.424 nan 8.370 nan 0.000 0.456 190 A N 0.772 123.628 122.820 0.061 0.000 1.930 190 A HA -0.191 4.129 4.320 0.000 0.000 0.217 190 A C 1.960 179.590 177.584 0.077 0.000 1.175 190 A CA 1.918 53.988 52.037 0.054 0.000 0.627 190 A CB -0.598 18.425 19.000 0.039 0.000 0.815 190 A HN 0.159 nan 8.150 nan 0.000 0.443 191 D N -0.033 120.437 120.400 0.117 0.000 2.092 191 D HA -0.177 4.463 4.640 0.000 0.000 0.193 191 D C 1.291 177.761 176.300 0.282 0.000 0.994 191 D CA 1.704 55.825 54.000 0.201 0.000 0.828 191 D CB -0.191 40.757 40.800 0.246 0.000 0.963 191 D HN 0.342 nan 8.370 nan 0.000 0.450 192 D N -0.349 120.184 120.400 0.222 0.000 2.133 192 D HA -0.172 4.468 4.640 0.000 0.000 0.195 192 D C 1.917 178.332 176.300 0.192 0.000 0.997 192 D CA 1.619 55.746 54.000 0.213 0.000 0.840 192 D CB -0.552 40.327 40.800 0.132 0.000 0.947 192 D HN 0.345 nan 8.370 nan 0.000 0.452 193 A N 0.400 123.293 122.820 0.123 0.000 1.897 193 A HA -0.156 4.164 4.320 0.000 0.000 0.215 193 A C 2.142 179.758 177.584 0.055 0.000 1.181 193 A CA 1.786 53.871 52.037 0.080 0.000 0.620 193 A CB -0.548 18.480 19.000 0.047 0.000 0.821 193 A HN 0.185 nan 8.150 nan 0.000 0.443 194 E N -0.713 119.497 120.200 0.016 0.000 2.058 194 E HA -0.224 4.126 4.350 0.000 0.000 0.194 194 E C 1.691 178.204 176.600 -0.144 0.000 0.997 194 E CA 1.776 58.115 56.400 -0.102 0.000 0.801 194 E CB -0.481 29.111 29.700 -0.181 0.000 0.746 194 E HN 0.717 nan 8.360 nan 0.000 0.450 195 W N 0.679 121.949 121.300 -0.050 0.000 2.358 195 W HA -0.125 4.535 4.660 0.000 0.000 0.303 195 W C 2.228 178.753 176.519 0.009 0.000 1.208 195 W CA 1.222 58.506 57.345 -0.102 0.000 1.274 195 W CB -0.417 29.029 29.460 -0.024 0.000 1.138 195 W HN 0.258 nan 8.180 nan 0.000 0.515 196 D N 0.012 120.595 120.400 0.305 0.000 2.117 196 D HA -0.211 4.429 4.640 0.000 0.000 0.197 196 D C 2.136 178.518 176.300 0.137 0.000 0.987 196 D CA 1.441 55.585 54.000 0.240 0.000 0.829 196 D CB -0.233 40.661 40.800 0.156 0.000 0.961 196 D HN -0.022 nan 8.370 nan 0.000 0.460 197 R N -0.344 120.187 120.500 0.052 0.000 2.073 197 R HA -0.079 4.261 4.340 0.000 0.000 0.234 197 R C 2.442 178.706 176.300 -0.060 0.000 1.134 197 R CA 1.109 57.200 56.100 -0.015 0.000 0.952 197 R CB -0.276 29.994 30.300 -0.051 0.000 0.850 197 R HN 0.267 nan 8.270 nan 0.000 0.433 198 L N -0.627 120.527 121.223 -0.115 0.000 2.044 198 L HA -0.158 4.182 4.340 0.000 0.000 0.205 198 L C 2.322 179.121 176.870 -0.119 0.000 1.075 198 L CA 1.068 55.783 54.840 -0.208 0.000 0.747 198 L CB -0.580 41.247 42.059 -0.386 0.000 0.903 198 L HN 0.196 nan 8.230 nan 0.000 0.435 199 Y N 0.487 120.795 120.300 0.013 0.000 2.165 199 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 199 Y C 2.882 178.767 175.900 -0.024 0.000 1.155 199 Y CA 1.634 59.748 58.100 0.024 0.000 1.164 199 Y CB -1.203 37.301 38.460 0.074 0.000 0.978 199 Y HN 0.149 nan 8.280 nan 0.000 0.513 200 T N -0.292 114.346 114.554 0.140 0.000 2.720 200 T HA -0.229 4.121 4.350 0.000 0.000 0.268 200 T C 1.972 176.649 174.700 -0.038 0.000 1.037 200 T CA 1.748 63.877 62.100 0.049 0.000 1.144 200 T CB -0.190 68.697 68.868 0.032 0.000 0.864 200 T HN 0.242 nan 8.240 nan 0.000 0.444 201 K N 0.859 121.180 120.400 -0.132 0.000 2.025 201 K HA 0.005 4.325 4.320 0.000 0.000 0.207 201 K C 2.575 178.868 176.600 -0.511 0.000 1.049 201 K CA 1.096 57.180 56.287 -0.339 0.000 0.933 201 K CB -0.325 31.924 32.500 -0.419 0.000 0.714 201 K HN 0.266 nan 8.250 nan 0.000 0.438 202 A N 1.394 124.021 122.820 -0.322 0.000 1.908 202 A HA -0.240 4.080 4.320 0.000 0.000 0.218 202 A C 1.837 179.446 177.584 0.041 0.000 1.181 202 A CA 1.965 53.900 52.037 -0.169 0.000 0.627 202 A CB -0.566 18.435 19.000 0.001 0.000 0.818 202 A HN 0.482 nan 8.150 nan 0.000 0.445 203 E N 0.093 120.349 120.200 0.092 0.000 2.153 203 E HA -0.154 4.196 4.350 0.000 0.000 0.194 203 E C 2.367 179.055 176.600 0.146 0.000 0.988 203 E CA 1.403 57.896 56.400 0.156 0.000 0.811 203 E CB -0.178 29.586 29.700 0.107 0.000 0.746 203 E HN 0.834 nan 8.360 nan 0.000 0.466 204 S N 0.092 115.832 115.700 0.067 0.000 2.368 204 S HA -0.171 4.299 4.470 0.000 0.000 0.224 204 S C 1.911 176.658 174.600 0.246 0.000 1.029 204 S CA 0.649 58.920 58.200 0.117 0.000 0.988 204 S CB -0.441 62.803 63.200 0.073 0.000 0.838 204 S HN 0.195 nan 8.310 nan 0.000 0.462 205 Y N 0.712 121.028 120.300 0.027 0.000 2.181 205 Y HA 0.099 4.649 4.550 0.000 0.000 0.288 205 Y C 2.083 178.012 175.900 0.050 0.000 1.146 205 Y CA -0.012 58.072 58.100 -0.027 0.000 1.164 205 Y CB -1.080 37.285 38.460 -0.158 0.000 0.982 205 Y HN 0.301 nan 8.280 nan 0.000 0.515 206 F N 0.195 120.302 119.950 0.263 0.000 2.710 206 F HA 0.029 4.556 4.527 0.000 0.000 0.298 206 F C 0.771 176.685 175.800 0.191 0.000 1.137 206 F CA 0.258 58.402 58.000 0.240 0.000 1.444 206 F CB -0.305 38.859 39.000 0.274 0.000 1.111 206 F HN 0.004 nan 8.300 nan 0.000 0.580 207 Q N 0.581 120.575 119.800 0.325 0.000 2.464 207 Q HA -0.185 4.155 4.340 0.000 0.000 0.304 207 Q C 0.017 176.111 176.000 0.157 0.000 1.401 207 Q CA 0.680 56.599 55.803 0.194 0.000 0.806 207 Q CB -2.623 26.204 28.738 0.147 0.000 1.134 207 Q HN 0.198 nan 8.270 nan 0.000 0.411 208 T N -0.030 114.628 114.554 0.174 0.000 2.901 208 T HA 0.529 4.879 4.350 0.000 0.000 0.301 208 T C 0.747 175.485 174.700 0.063 0.000 1.012 208 T CA 0.497 62.665 62.100 0.113 0.000 1.135 208 T CB 1.411 70.356 68.868 0.128 0.000 0.936 208 T HN 0.488 nan 8.240 nan 0.000 0.539 209 G N 0.613 109.434 108.800 0.035 0.000 2.695 209 G HA2 0.549 4.509 3.960 0.000 0.000 0.290 209 G HA3 0.549 4.509 3.960 0.000 0.000 0.290 209 G C 0.005 174.918 174.900 0.022 0.000 1.410 209 G CA -0.691 44.421 45.100 0.019 0.000 0.844 209 G HN 0.617 nan 8.290 nan 0.000 0.478 210 T N -2.309 112.257 114.554 0.020 0.000 3.339 210 T HA 0.273 4.623 4.350 0.000 0.000 0.292 210 T C 0.097 174.814 174.700 0.027 0.000 1.012 210 T CA 0.395 62.515 62.100 0.034 0.000 0.937 210 T CB 0.400 69.291 68.868 0.039 0.000 1.164 210 T HN 0.499 nan 8.240 nan 0.000 0.509 211 D N 0.273 120.672 120.400 -0.002 0.000 2.500 211 D HA 0.050 4.690 4.640 0.000 0.000 0.217 211 D C 1.331 177.565 176.300 -0.109 0.000 1.159 211 D CA -0.066 53.910 54.000 -0.041 0.000 0.828 211 D CB -0.089 40.682 40.800 -0.048 0.000 1.039 211 D HN 0.269 nan 8.370 nan 0.000 0.512 212 Q N -0.435 119.297 119.800 -0.113 0.000 2.437 212 Q HA 0.136 4.476 4.340 0.000 0.000 0.210 212 Q C 0.220 175.796 176.000 -0.706 0.000 0.972 212 Q CA 0.903 56.497 55.803 -0.349 0.000 0.903 212 Q CB -0.275 28.255 28.738 -0.347 0.000 0.967 212 Q HN 0.302 nan 8.270 nan 0.000 0.486 213 F N -0.290 119.493 119.950 -0.279 0.000 2.735 213 F HA 0.229 4.756 4.527 0.000 0.000 0.308 213 F C 1.168 176.759 175.800 -0.349 0.000 1.112 213 F CA -0.563 57.226 58.000 -0.352 0.000 1.235 213 F CB 0.421 39.121 39.000 -0.500 0.000 1.027 213 F HN -0.013 nan 8.300 nan 0.000 0.528 214 K N 0.359 120.652 120.400 -0.179 0.000 2.280 214 K HA -0.087 4.233 4.320 0.000 0.000 0.202 214 K C 0.522 176.985 176.600 -0.228 0.000 1.047 214 K CA 1.544 57.769 56.287 -0.103 0.000 0.942 214 K CB -0.136 32.302 32.500 -0.103 0.000 0.739 214 K HN 0.332 nan 8.250 nan 0.000 0.457 215 E N 1.747 121.692 120.200 -0.425 0.000 2.585 215 E HA 0.062 4.412 4.350 0.000 0.000 0.206 215 E C -0.844 175.534 176.600 -0.368 0.000 1.007 215 E CA -0.284 55.589 56.400 -0.880 0.000 1.028 215 E CB 1.044 30.076 29.700 -1.114 0.000 1.087 215 E HN 0.182 nan 8.360 nan 0.000 0.455 216 S N 0.706 116.377 115.700 -0.049 0.000 2.499 216 S HA 0.185 4.655 4.470 0.000 0.000 0.275 216 S C 1.249 175.954 174.600 0.175 0.000 1.257 216 S CA -0.440 57.818 58.200 0.095 0.000 1.050 216 S CB 0.472 63.789 63.200 0.194 0.000 0.937 216 S HN 0.233 nan 8.310 nan 0.000 0.490 217 I N 4.984 125.531 120.570 -0.038 0.000 2.179 217 I HA -0.169 4.001 4.170 0.000 0.000 0.242 217 I C 2.732 178.636 176.117 -0.354 0.000 1.088 217 I CA 1.189 62.170 61.300 -0.533 0.000 1.357 217 I CB -0.243 37.218 38.000 -0.898 0.000 1.051 217 I HN 0.696 nan 8.210 nan 0.000 0.409 218 R N -0.443 119.960 120.500 -0.163 0.000 2.091 218 R HA -0.241 4.099 4.340 0.000 0.000 0.238 218 R C 2.367 178.684 176.300 0.028 0.000 1.136 218 R CA 1.858 57.920 56.100 -0.064 0.000 0.959 218 R CB -0.726 29.556 30.300 -0.031 0.000 0.856 218 R HN 0.445 nan 8.270 nan 0.000 0.437 219 H N 1.171 120.256 119.070 0.026 0.000 2.290 219 H HA -0.060 4.496 4.556 0.000 0.000 0.298 219 H C 1.803 177.201 175.328 0.116 0.000 1.087 219 H CA 1.968 58.057 56.048 0.069 0.000 1.291 219 H CB -0.104 29.734 29.762 0.128 0.000 1.369 219 H HN 0.133 nan 8.280 nan 0.000 0.492 220 N N 0.062 118.855 118.700 0.154 0.000 2.188 220 N HA -0.127 4.613 4.740 0.000 0.000 0.184 220 N C 2.050 177.707 175.510 0.244 0.000 1.018 220 N CA 0.983 54.180 53.050 0.244 0.000 0.858 220 N CB -0.224 38.628 38.487 0.608 0.000 0.989 220 N HN 0.296 nan 8.380 nan 0.000 0.426 221 L N 1.450 122.820 121.223 0.245 0.000 1.990 221 L HA -0.159 4.181 4.340 0.000 0.000 0.213 221 L C 2.173 179.094 176.870 0.085 0.000 1.072 221 L CA 1.485 56.466 54.840 0.236 0.000 0.755 221 L CB -0.627 41.513 42.059 0.136 0.000 0.889 221 L HN -0.113 nan 8.230 nan 0.000 0.432 222 V N -0.841 119.071 119.914 -0.004 0.000 2.307 222 V HA -0.243 3.877 4.120 0.000 0.000 0.245 222 V C 2.423 178.440 176.094 -0.129 0.000 1.045 222 V CA 1.566 63.831 62.300 -0.059 0.000 1.024 222 V CB -0.687 31.077 31.823 -0.098 0.000 0.651 222 V HN 0.507 nan 8.190 nan 0.000 0.449 223 L N 1.084 122.194 121.223 -0.188 0.000 2.012 223 L HA -0.186 4.154 4.340 0.000 0.000 0.210 223 L C 2.162 178.965 176.870 -0.111 0.000 1.073 223 L CA 2.124 56.846 54.840 -0.197 0.000 0.748 223 L CB -0.963 40.939 42.059 -0.262 0.000 0.891 223 L HN 0.324 nan 8.230 nan 0.000 0.431 224 N N -0.375 118.310 118.700 -0.026 0.000 2.216 224 N HA -0.170 4.570 4.740 0.000 0.000 0.183 224 N C 1.810 177.308 175.510 -0.020 0.000 1.017 224 N CA 1.140 54.196 53.050 0.010 0.000 0.861 224 N CB -0.255 38.270 38.487 0.064 0.000 0.986 224 N HN 0.290 nan 8.380 nan 0.000 0.428 225 K N 1.421 121.806 120.400 -0.026 0.000 2.025 225 K HA 0.073 4.393 4.320 0.000 0.000 0.207 225 K C 1.901 178.457 176.600 -0.072 0.000 1.049 225 K CA 0.919 57.189 56.287 -0.028 0.000 0.933 225 K CB -0.438 32.063 32.500 0.002 0.000 0.714 225 K HN 0.099 nan 8.250 nan 0.000 0.438 226 L N 0.143 121.249 121.223 -0.194 0.000 2.093 226 L HA -0.144 4.196 4.340 0.000 0.000 0.208 226 L C 2.241 178.933 176.870 -0.297 0.000 1.085 226 L CA 1.577 56.186 54.840 -0.385 0.000 0.755 226 L CB -0.800 40.600 42.059 -1.098 0.000 0.904 226 L HN 0.245 nan 8.230 nan 0.000 0.435 227 T N -0.597 113.833 114.554 -0.207 0.000 2.665 227 T HA -0.277 4.073 4.350 0.000 0.000 0.268 227 T C 1.779 176.535 174.700 0.094 0.000 1.035 227 T CA 1.894 64.034 62.100 0.066 0.000 1.151 227 T CB -0.204 68.712 68.868 0.080 0.000 0.862 227 T HN 0.462 nan 8.240 nan 0.000 0.438 228 E N 0.797 121.015 120.200 0.030 0.000 2.051 228 E HA -0.211 4.139 4.350 0.000 0.000 0.192 228 E C 2.042 178.646 176.600 0.007 0.000 0.991 228 E CA 1.128 57.539 56.400 0.018 0.000 0.799 228 E CB -0.060 29.635 29.700 -0.009 0.000 0.748 228 E HN 0.378 nan 8.360 nan 0.000 0.449 229 E N -0.385 119.809 120.200 -0.011 0.000 2.204 229 E HA -0.152 4.198 4.350 0.000 0.000 0.194 229 E C 1.001 177.458 176.600 -0.238 0.000 0.989 229 E CA 0.919 57.244 56.400 -0.126 0.000 0.824 229 E CB -0.068 29.543 29.700 -0.149 0.000 0.756 229 E HN 0.493 nan 8.360 nan 0.000 0.477 230 Y N 0.326 120.667 120.300 0.070 0.000 2.636 230 Y HA 0.188 4.738 4.550 0.000 0.000 0.260 230 Y C 0.658 176.624 175.900 0.110 0.000 1.177 230 Y CA -0.429 57.749 58.100 0.131 0.000 1.209 230 Y CB 0.399 39.038 38.460 0.299 0.000 1.166 230 Y HN -0.263 nan 8.280 nan 0.000 0.531 231 K N 0.747 121.239 120.400 0.153 0.000 2.491 231 K HA 0.109 4.429 4.320 0.000 0.000 0.279 231 K C 1.224 177.880 176.600 0.093 0.000 1.026 231 K CA 1.352 57.707 56.287 0.114 0.000 1.070 231 K CB -0.029 32.508 32.500 0.062 0.000 0.887 231 K HN 0.636 nan 8.250 nan 0.000 0.481 232 G N 3.123 111.979 108.800 0.093 0.000 2.184 232 G HA2 -0.305 3.655 3.960 0.000 0.000 0.264 232 G HA3 -0.305 3.655 3.960 0.000 0.000 0.264 232 G C 0.563 175.515 174.900 0.086 0.000 0.975 232 G CA 0.815 45.959 45.100 0.074 0.000 0.642 232 G HN 0.745 nan 8.290 nan 0.000 0.536 233 Q N -1.531 118.346 119.800 0.128 0.000 2.577 233 Q HA 0.292 4.632 4.340 0.000 0.000 0.242 233 Q C 1.140 177.223 176.000 0.138 0.000 0.818 233 Q CA 0.105 55.994 55.803 0.144 0.000 0.962 233 Q CB 0.985 29.840 28.738 0.195 0.000 1.272 233 Q HN 0.464 nan 8.270 nan 0.000 0.593 234 R N 0.454 121.047 120.500 0.155 0.000 2.740 234 R HA 0.401 4.741 4.340 0.000 0.000 0.273 234 R C -1.615 174.695 176.300 0.017 0.000 0.998 234 R CA -0.733 55.363 56.100 -0.007 0.000 0.900 234 R CB 1.707 31.808 30.300 -0.333 0.000 1.223 234 R HN -0.031 nan 8.270 nan 0.000 0.466 235 D N 1.445 121.779 120.400 -0.109 0.000 2.217 235 D HA 0.366 5.006 4.640 0.000 0.000 0.243 235 D C -0.813 175.325 176.300 -0.269 0.000 1.054 235 D CA 0.044 54.016 54.000 -0.047 0.000 0.838 235 D CB 1.273 42.062 40.800 -0.018 0.000 1.162 235 D HN 0.142 nan 8.370 nan 0.000 0.472 236 F N 1.147 121.098 119.950 0.002 0.000 2.492 236 F HA 0.367 4.894 4.527 0.000 0.000 0.327 236 F C 0.811 176.622 175.800 0.020 0.000 1.079 236 F CA -0.558 57.436 58.000 -0.010 0.000 0.967 236 F CB 1.714 40.703 39.000 -0.019 0.000 1.169 236 F HN 0.221 nan 8.300 nan 0.000 0.472 237 Q N 0.089 120.001 119.800 0.187 0.000 2.814 237 Q HA 0.355 4.695 4.340 0.000 0.000 0.322 237 Q C -1.513 174.599 176.000 0.187 0.000 0.888 237 Q CA -1.296 54.603 55.803 0.160 0.000 0.768 237 Q CB 1.594 30.390 28.738 0.097 0.000 1.443 237 Q HN 0.601 nan 8.270 nan 0.000 0.497 238 Q N 0.874 120.798 119.800 0.206 0.000 2.332 238 Q HA 0.254 4.594 4.340 0.000 0.000 0.263 238 Q C -0.522 175.536 176.000 0.095 0.000 0.979 238 Q CA -0.260 55.664 55.803 0.201 0.000 0.885 238 Q CB 0.538 29.357 28.738 0.134 0.000 1.218 238 Q HN 0.552 nan 8.270 nan 0.000 0.405 239 I N 6.659 127.263 120.570 0.056 0.000 2.821 239 I HA -0.085 4.085 4.170 0.000 0.000 0.294 239 I C -1.979 174.148 176.117 0.017 0.000 1.210 239 I CA -1.227 60.084 61.300 0.018 0.000 1.430 239 I CB 0.057 38.034 38.000 -0.038 0.000 1.356 239 I HN 0.440 nan 8.210 nan 0.000 0.563 240 P HA 0.245 nan 4.420 nan 0.000 0.271 240 P C -0.900 176.393 177.300 -0.012 0.000 1.233 240 P CA 0.106 63.208 63.100 0.004 0.000 0.764 240 P CB 0.479 32.171 31.700 -0.013 0.000 0.825 241 L N 2.445 123.672 121.223 0.007 0.000 2.385 241 L HA 0.620 4.960 4.340 0.000 0.000 0.273 241 L C 0.327 177.193 176.870 -0.007 0.000 0.990 241 L CA -1.162 53.679 54.840 0.001 0.000 0.821 241 L CB 2.094 44.218 42.059 0.108 0.000 1.279 241 L HN 0.249 nan 8.230 nan 0.000 0.412 242 A N 3.264 126.037 122.820 -0.079 0.000 2.671 242 A HA 0.732 5.052 4.320 0.000 0.000 0.306 242 A C 0.063 177.670 177.584 0.038 0.000 1.473 242 A CA 0.160 52.189 52.037 -0.013 0.000 1.155 242 A CB -0.434 18.492 19.000 -0.124 0.000 1.123 242 A HN 0.789 nan 8.150 nan 0.000 0.545 243 A N 1.907 124.723 122.820 -0.007 0.000 2.590 243 A HA 0.701 5.021 4.320 0.000 0.000 0.296 243 A C -0.499 176.982 177.584 -0.172 0.000 1.050 243 A CA -0.475 51.461 52.037 -0.168 0.000 0.697 243 A CB 0.698 19.415 19.000 -0.473 0.000 1.277 243 A HN 0.657 nan 8.150 nan 0.000 0.411 244 T N 1.612 116.039 114.554 -0.211 0.000 2.847 244 T HA 0.488 4.838 4.350 0.000 0.000 0.291 244 T C 0.031 174.594 174.700 -0.227 0.000 0.998 244 T CA -0.444 61.557 62.100 -0.165 0.000 0.967 244 T CB 1.144 69.968 68.868 -0.073 0.000 0.954 244 T HN 0.754 nan 8.240 nan 0.000 0.441 245 R N 2.255 122.602 120.500 -0.254 0.000 2.491 245 R HA 0.224 4.564 4.340 0.000 0.000 0.283 245 R C 0.677 176.898 176.300 -0.130 0.000 1.072 245 R CA -0.281 55.665 56.100 -0.256 0.000 1.048 245 R CB 0.403 30.511 30.300 -0.320 0.000 0.983 245 R HN 0.399 nan 8.270 nan 0.000 0.450 246 R N 1.043 121.515 120.500 -0.048 0.000 2.279 246 R HA 0.145 4.485 4.340 0.000 0.000 0.195 246 R C 0.092 176.363 176.300 -0.049 0.000 0.905 246 R CA 0.624 56.704 56.100 -0.033 0.000 1.044 246 R CB 0.439 30.733 30.300 -0.010 0.000 1.056 246 R HN 0.781 nan 8.270 nan 0.000 0.535 247 S N -1.343 114.342 115.700 -0.026 0.000 2.643 247 S HA 0.396 4.866 4.470 0.000 0.000 0.270 247 S C -2.635 171.933 174.600 -0.053 0.000 1.166 247 S CA -1.037 57.143 58.200 -0.035 0.000 0.815 247 S CB 2.169 65.364 63.200 -0.008 0.000 1.139 247 S HN -0.260 nan 8.310 nan 0.000 0.472 248 P HA 0.057 nan 4.420 nan 0.000 0.228 248 P C 0.894 178.165 177.300 -0.047 0.000 1.151 248 P CA 1.481 64.539 63.100 -0.070 0.000 0.770 248 P CB -0.181 31.495 31.700 -0.040 0.000 0.786 249 T N -6.622 107.936 114.554 0.008 0.000 3.170 249 T HA 0.309 4.659 4.350 0.000 0.000 0.288 249 T C -0.321 174.438 174.700 0.099 0.000 0.992 249 T CA -0.369 61.757 62.100 0.043 0.000 0.909 249 T CB -0.629 68.282 68.868 0.071 0.000 1.133 249 T HN -0.135 nan 8.240 nan 0.000 0.530 250 F N 1.567 121.457 119.950 -0.099 0.000 2.585 250 F HA 0.655 5.182 4.527 0.000 0.000 0.319 250 F C -1.541 174.131 175.800 -0.213 0.000 1.165 250 F CA -1.119 56.817 58.000 -0.106 0.000 0.949 250 F CB 1.944 40.898 39.000 -0.077 0.000 1.218 250 F HN -0.084 nan 8.300 nan 0.000 0.453 251 V N 5.189 124.815 119.914 -0.481 0.000 2.448 251 V HA 0.294 4.414 4.120 0.000 0.000 0.295 251 V C -0.391 175.234 176.094 -0.781 0.000 1.025 251 V CA -0.828 61.085 62.300 -0.645 0.000 0.859 251 V CB 1.685 32.897 31.823 -1.018 0.000 0.988 251 V HN 0.714 nan 8.190 nan 0.000 0.431 252 E N 4.573 124.550 120.200 -0.371 0.000 1.996 252 E HA 0.178 4.528 4.350 0.000 0.000 0.280 252 E C -1.065 175.356 176.600 -0.298 0.000 1.092 252 E CA -0.538 55.772 56.400 -0.150 0.000 0.862 252 E CB 0.435 30.207 29.700 0.120 0.000 1.066 252 E HN 0.622 nan 8.360 nan 0.000 0.396 253 W N 3.098 124.301 121.300 -0.161 0.000 2.238 253 W HA 0.144 4.804 4.660 0.000 0.000 0.321 253 W C 0.602 177.131 176.519 0.016 0.000 1.293 253 W CA -0.560 56.649 57.345 -0.226 0.000 1.204 253 W CB 0.914 29.964 29.460 -0.683 0.000 1.167 253 W HN 0.336 nan 8.180 nan 0.000 0.553 254 S N 1.711 117.606 115.700 0.325 0.000 2.600 254 S HA 0.576 5.046 4.470 0.000 0.000 0.265 254 S C 0.142 175.178 174.600 0.726 0.000 1.325 254 S CA -0.577 57.894 58.200 0.450 0.000 1.002 254 S CB 1.004 64.478 63.200 0.456 0.000 0.921 254 S HN 0.507 nan 8.310 nan 0.000 0.554 255 S N -0.442 115.638 115.700 0.633 0.000 2.727 255 S HA 0.698 5.168 4.470 0.000 0.000 0.278 255 S C 0.795 175.608 174.600 0.356 0.000 1.186 255 S CA -0.389 58.124 58.200 0.522 0.000 0.836 255 S CB 0.596 64.019 63.200 0.372 0.000 1.186 255 S HN 0.724 nan 8.310 nan 0.000 0.499 256 A N 1.638 124.559 122.820 0.168 0.000 1.927 256 A HA -0.226 4.094 4.320 0.000 0.000 0.220 256 A C 1.996 179.629 177.584 0.081 0.000 1.185 256 A CA 2.267 54.351 52.037 0.079 0.000 0.639 256 A CB -1.566 17.451 19.000 0.027 0.000 0.820 256 A HN 0.877 nan 8.150 nan 0.000 0.451 257 N N -0.658 118.099 118.700 0.094 0.000 2.149 257 N HA -0.161 4.579 4.740 0.000 0.000 0.188 257 N C 1.568 177.103 175.510 0.041 0.000 1.019 257 N CA 2.063 55.140 53.050 0.045 0.000 0.857 257 N CB -0.239 38.289 38.487 0.068 0.000 0.997 257 N HN 0.498 nan 8.380 nan 0.000 0.426 258 T N 0.538 115.167 114.554 0.125 0.000 2.746 258 T HA -0.073 4.277 4.350 0.000 0.000 0.267 258 T C 2.092 176.824 174.700 0.054 0.000 1.039 258 T CA 1.242 63.420 62.100 0.130 0.000 1.142 258 T CB -0.299 68.727 68.868 0.263 0.000 0.866 258 T HN 0.056 nan 8.240 nan 0.000 0.444 259 V N -0.429 119.498 119.914 0.022 0.000 2.358 259 V HA 0.132 4.252 4.120 0.000 0.000 0.246 259 V C 0.522 176.564 176.094 -0.087 0.000 1.047 259 V CA 1.002 63.233 62.300 -0.116 0.000 1.035 259 V CB -0.411 31.297 31.823 -0.192 0.000 0.658 259 V HN 0.503 nan 8.190 nan 0.000 0.452 260 F N 0.840 120.661 119.950 -0.214 0.000 2.623 260 F HA 0.362 4.889 4.527 0.000 0.000 0.323 260 F C 0.215 175.895 175.800 -0.201 0.000 1.158 260 F CA -1.594 56.251 58.000 -0.258 0.000 1.030 260 F CB 1.293 40.090 39.000 -0.337 0.000 1.280 260 F HN 0.148 nan 8.300 nan 0.000 0.474 261 D N 4.948 124.869 120.400 -0.799 0.000 2.371 261 D HA -0.074 4.566 4.640 0.000 0.000 0.221 261 D C 1.208 177.216 176.300 -0.487 0.000 0.986 261 D CA 1.248 54.939 54.000 -0.516 0.000 0.899 261 D CB -0.043 40.519 40.800 -0.397 0.000 0.902 261 D HN 0.695 nan 8.370 nan 0.000 0.530 262 L N -2.083 118.675 121.223 -0.775 0.000 4.696 262 L HA -0.242 4.098 4.340 0.000 0.000 0.425 262 L C -0.206 176.646 176.870 -0.031 0.000 1.115 262 L CA 0.472 55.172 54.840 -0.232 0.000 0.996 262 L CB -1.390 40.682 42.059 0.022 0.000 2.077 262 L HN 0.232 nan 8.230 nan 0.000 0.792 263 Q N 0.900 120.575 119.800 -0.209 0.000 2.314 263 Q HA 0.239 4.579 4.340 0.000 0.000 0.258 263 Q C 0.373 176.440 176.000 0.112 0.000 0.954 263 Q CA -0.116 55.651 55.803 -0.059 0.000 0.890 263 Q CB 0.700 29.364 28.738 -0.123 0.000 1.210 263 Q HN 0.120 nan 8.270 nan 0.000 0.410 264 N N 2.008 120.771 118.700 0.106 0.000 2.454 264 N HA 0.067 4.807 4.740 0.000 0.000 0.254 264 N C -0.319 175.254 175.510 0.106 0.000 1.228 264 N CA 0.450 53.566 53.050 0.111 0.000 0.900 264 N CB 0.574 39.028 38.487 -0.055 0.000 1.089 264 N HN 0.248 nan 8.380 nan 0.000 0.449 265 R N 1.547 122.137 120.500 0.150 0.000 2.744 265 R HA 0.472 4.812 4.340 0.000 0.000 0.279 265 R C -2.503 173.839 176.300 0.071 0.000 0.977 265 R CA -1.693 54.477 56.100 0.117 0.000 0.906 265 R CB 1.699 32.097 30.300 0.165 0.000 1.197 265 R HN 0.342 nan 8.270 nan 0.000 0.463 266 P HA 0.048 nan 4.420 nan 0.000 0.269 266 P C -1.211 176.137 177.300 0.080 0.000 1.209 266 P CA -0.091 63.082 63.100 0.120 0.000 0.776 266 P CB 0.563 32.386 31.700 0.204 0.000 0.876 267 N N -1.210 117.528 118.700 0.064 0.000 2.972 267 N HA 0.254 4.994 4.740 0.000 0.000 0.262 267 N C 0.433 175.959 175.510 0.027 0.000 1.478 267 N CA -0.773 52.297 53.050 0.035 0.000 0.841 267 N CB -0.516 37.979 38.487 0.013 0.000 1.512 267 N HN 0.041 nan 8.380 nan 0.000 0.548 268 T N -0.915 113.646 114.554 0.012 0.000 2.759 268 T HA -0.113 4.237 4.350 0.000 0.000 0.269 268 T C 0.273 174.976 174.700 0.004 0.000 1.042 268 T CA 1.697 63.802 62.100 0.007 0.000 1.140 268 T CB -0.420 68.448 68.868 -0.001 0.000 0.864 268 T HN 0.535 nan 8.240 nan 0.000 0.455 269 D N 1.026 121.424 120.400 -0.004 0.000 2.333 269 D HA 0.243 4.883 4.640 0.000 0.000 0.208 269 D C 0.836 177.136 176.300 0.001 0.000 0.984 269 D CA 0.374 54.369 54.000 -0.009 0.000 0.873 269 D CB 0.216 40.999 40.800 -0.028 0.000 0.935 269 D HN 0.418 nan 8.370 nan 0.000 0.521 270 A N 1.407 124.237 122.820 0.016 0.000 3.266 270 A HA 0.338 4.658 4.320 0.000 0.000 0.310 270 A C -1.991 175.637 177.584 0.074 0.000 1.066 270 A CA -0.865 51.195 52.037 0.039 0.000 0.839 270 A CB 0.986 20.007 19.000 0.035 0.000 1.192 270 A HN -0.176 nan 8.150 nan 0.000 0.496 271 P HA -0.091 nan 4.420 nan 0.000 0.226 271 P C 0.661 178.066 177.300 0.174 0.000 1.153 271 P CA 1.123 64.280 63.100 0.094 0.000 0.777 271 P CB 0.498 32.224 31.700 0.044 0.000 0.794 272 E N -0.252 120.057 120.200 0.181 0.000 2.481 272 E HA 0.095 4.445 4.350 0.000 0.000 0.198 272 E C 0.250 177.060 176.600 0.351 0.000 1.027 272 E CA 0.136 56.715 56.400 0.297 0.000 0.900 272 E CB 0.485 30.275 29.700 0.151 0.000 0.993 272 E HN 0.494 nan 8.360 nan 0.000 0.482 273 E N 0.696 121.022 120.200 0.210 0.000 2.283 273 E HA 0.395 4.745 4.350 0.000 0.000 0.267 273 E C -0.232 176.393 176.600 0.042 0.000 1.045 273 E CA -0.385 56.086 56.400 0.118 0.000 0.884 273 E CB 1.354 31.124 29.700 0.117 0.000 1.106 273 E HN -0.161 nan 8.360 nan 0.000 0.408 274 R N 1.831 122.328 120.500 -0.005 0.000 2.473 274 R HA 0.429 4.769 4.340 0.000 0.000 0.303 274 R C -1.573 174.803 176.300 0.127 0.000 1.002 274 R CA -0.537 55.530 56.100 -0.055 0.000 0.884 274 R CB 0.972 31.117 30.300 -0.257 0.000 1.173 274 R HN 0.406 nan 8.270 nan 0.000 0.464 275 F N 2.171 122.099 119.950 -0.038 0.000 2.604 275 F HA 0.432 4.960 4.527 0.000 0.000 0.316 275 F C -1.730 174.005 175.800 -0.109 0.000 1.136 275 F CA -0.653 57.323 58.000 -0.040 0.000 0.989 275 F CB 2.008 41.053 39.000 0.075 0.000 1.258 275 F HN 0.386 nan 8.300 nan 0.000 0.451 276 N N 4.600 122.630 118.700 -1.116 0.000 2.295 276 N HA 0.587 5.327 4.740 0.000 0.000 0.293 276 N C -2.030 172.461 175.510 -1.698 0.000 1.040 276 N CA -0.626 51.701 53.050 -1.205 0.000 0.840 276 N CB 2.341 40.291 38.487 -0.895 0.000 1.468 276 N HN 0.580 nan 8.380 nan 0.000 0.478 277 L N 2.595 123.043 121.223 -1.292 0.000 2.295 277 L HA 0.629 4.969 4.340 0.000 0.000 0.285 277 L C -1.594 174.724 176.870 -0.919 0.000 1.035 277 L CA -0.216 54.111 54.840 -0.854 0.000 0.806 277 L CB 0.142 42.049 42.059 -0.253 0.000 1.214 277 L HN 0.476 nan 8.230 nan 0.000 0.426 278 F N 6.328 126.019 119.950 -0.432 0.000 2.443 278 F HA 0.511 5.038 4.527 0.000 0.000 0.369 278 F C -2.112 173.631 175.800 -0.095 0.000 1.090 278 F CA -2.048 55.792 58.000 -0.267 0.000 1.129 278 F CB 0.641 39.427 39.000 -0.356 0.000 1.367 278 F HN 0.415 nan 8.300 nan 0.000 0.465 279 P HA 0.256 nan 4.420 nan 0.000 0.274 279 P C 0.102 177.459 177.300 0.095 0.000 1.256 279 P CA -0.138 63.003 63.100 0.068 0.000 0.795 279 P CB 0.953 32.673 31.700 0.034 0.000 1.038 280 A N -0.870 121.991 122.820 0.069 0.000 2.745 280 A HA -0.102 4.218 4.320 0.000 0.000 0.296 280 A C -0.041 177.575 177.584 0.053 0.000 1.500 280 A CA 0.783 52.853 52.037 0.055 0.000 0.766 280 A CB -2.426 16.605 19.000 0.051 0.000 1.030 280 A HN 0.259 nan 8.150 nan 0.000 0.489 281 V N -0.338 119.624 119.914 0.080 0.000 2.409 281 V HA 0.648 4.768 4.120 0.000 0.000 0.290 281 V C 0.630 176.732 176.094 0.013 0.000 1.017 281 V CA -0.357 61.991 62.300 0.080 0.000 0.841 281 V CB 1.401 33.368 31.823 0.241 0.000 1.003 281 V HN 1.476 nan 8.190 nan 0.000 0.426 282 A N 4.252 127.051 122.820 -0.035 0.000 2.395 282 A HA 0.388 4.708 4.320 0.000 0.000 0.286 282 A C 0.276 177.834 177.584 -0.043 0.000 1.193 282 A CA -0.114 51.886 52.037 -0.062 0.000 0.852 282 A CB -0.377 18.628 19.000 0.008 0.000 1.118 282 A HN 0.873 nan 8.150 nan 0.000 0.524 283 C N 2.868 122.116 119.300 -0.087 0.000 2.499 283 C HA 0.328 4.788 4.460 0.000 0.000 0.386 283 C C 1.375 176.321 174.990 -0.074 0.000 1.293 283 C CA -0.270 58.688 59.018 -0.101 0.000 1.884 283 C CB -0.319 27.349 27.740 -0.119 0.000 2.509 283 C HN 0.992 nan 8.230 nan 0.000 0.566 284 E N 0.957 121.131 120.200 -0.043 0.000 2.332 284 E HA 0.103 4.453 4.350 0.000 0.000 0.202 284 E C 0.174 176.742 176.600 -0.052 0.000 0.877 284 E CA 0.294 56.675 56.400 -0.032 0.000 0.979 284 E CB 0.468 30.172 29.700 0.007 0.000 0.969 284 E HN 0.753 nan 8.360 nan 0.000 0.495 285 R N 0.221 120.689 120.500 -0.055 0.000 2.664 285 R HA 0.391 4.731 4.340 0.000 0.000 0.266 285 R C -0.841 175.369 176.300 -0.150 0.000 1.046 285 R CA -0.804 55.234 56.100 -0.102 0.000 0.885 285 R CB 1.026 31.256 30.300 -0.118 0.000 1.254 285 R HN -0.078 nan 8.270 nan 0.000 0.465 286 V N -0.646 119.167 119.914 -0.168 0.000 2.481 286 V HA 0.591 4.711 4.120 0.000 0.000 0.286 286 V C 0.133 176.075 176.094 -0.253 0.000 1.042 286 V CA -0.849 61.309 62.300 -0.237 0.000 0.928 286 V CB 1.665 33.335 31.823 -0.255 0.000 0.986 286 V HN 0.507 nan 8.190 nan 0.000 0.462 287 V N 5.815 125.537 119.914 -0.319 0.000 2.385 287 V HA 0.429 4.549 4.120 0.000 0.000 0.269 287 V C 0.706 176.708 176.094 -0.152 0.000 1.043 287 V CA -0.359 61.777 62.300 -0.273 0.000 0.906 287 V CB 0.616 32.248 31.823 -0.318 0.000 0.995 287 V HN 0.936 nan 8.190 nan 0.000 0.467 288 R N 3.643 124.085 120.500 -0.096 0.000 2.459 288 R HA 0.323 4.663 4.340 0.000 0.000 0.281 288 R C 0.267 176.577 176.300 0.016 0.000 1.050 288 R CA -0.587 55.535 56.100 0.037 0.000 1.055 288 R CB 0.735 31.042 30.300 0.012 0.000 1.045 288 R HN 0.868 nan 8.270 nan 0.000 0.495 289 N N 1.047 119.779 118.700 0.053 0.000 2.379 289 N HA 0.076 4.816 4.740 0.000 0.000 0.260 289 N C 0.607 176.106 175.510 -0.019 0.000 1.254 289 N CA -0.007 53.046 53.050 0.005 0.000 0.958 289 N CB 0.416 38.906 38.487 0.004 0.000 1.208 289 N HN 0.527 nan 8.380 nan 0.000 0.532 290 A N 0.224 123.029 122.820 -0.026 0.000 1.917 290 A HA -0.102 4.218 4.320 0.000 0.000 0.219 290 A C 2.035 179.590 177.584 -0.049 0.000 1.182 290 A CA 1.272 53.289 52.037 -0.033 0.000 0.633 290 A CB -0.954 18.031 19.000 -0.025 0.000 0.819 290 A HN 0.651 nan 8.150 nan 0.000 0.448 291 L N -0.746 120.437 121.223 -0.066 0.000 2.599 291 L HA 0.014 4.354 4.340 0.000 0.000 0.230 291 L C -0.042 176.731 176.870 -0.162 0.000 1.141 291 L CA -0.101 54.684 54.840 -0.093 0.000 0.877 291 L CB -0.592 41.414 42.059 -0.087 0.000 1.009 291 L HN 0.400 nan 8.230 nan 0.000 0.447 292 N N 0.756 119.348 118.700 -0.181 0.000 2.707 292 N HA -0.195 4.545 4.740 0.000 0.000 0.253 292 N C 1.059 176.010 175.510 -0.932 0.000 0.998 292 N CA 1.105 53.932 53.050 -0.372 0.000 0.751 292 N CB -0.899 37.513 38.487 -0.125 0.000 0.920 292 N HN 0.567 nan 8.380 nan 0.000 0.539 293 S N -1.657 113.620 115.700 -0.705 0.000 2.559 293 S HA 0.157 4.627 4.470 0.000 0.000 0.226 293 S C 0.305 174.642 174.600 -0.439 0.000 1.030 293 S CA 0.126 57.982 58.200 -0.574 0.000 0.956 293 S CB 1.320 64.376 63.200 -0.240 0.000 0.900 293 S HN 0.492 nan 8.310 nan 0.000 0.510 294 E N 0.419 120.452 120.200 -0.279 0.000 2.380 294 E HA 0.359 4.709 4.350 0.000 0.000 0.281 294 E C -1.723 175.038 176.600 0.267 0.000 0.999 294 E CA -0.941 55.526 56.400 0.113 0.000 0.800 294 E CB 1.034 30.786 29.700 0.087 0.000 1.228 294 E HN 0.086 nan 8.360 nan 0.000 0.436 295 I N 3.379 124.086 120.570 0.227 0.000 2.395 295 I HA 0.108 4.278 4.170 0.000 0.000 0.289 295 I C 1.234 177.280 176.117 -0.118 0.000 1.023 295 I CA -0.001 61.257 61.300 -0.069 0.000 1.350 295 I CB 1.159 38.867 38.000 -0.486 0.000 1.409 295 I HN 0.718 nan 8.210 nan 0.000 0.507 296 E N 3.500 123.624 120.200 -0.126 0.000 2.216 296 E HA 0.035 4.385 4.350 0.000 0.000 0.192 296 E C 0.316 176.947 176.600 0.053 0.000 0.973 296 E CA 0.523 56.922 56.400 -0.002 0.000 0.851 296 E CB 0.499 30.198 29.700 -0.001 0.000 0.804 296 E HN 0.741 nan 8.360 nan 0.000 0.477 297 S N -0.350 115.288 115.700 -0.102 0.000 2.611 297 S HA 0.408 4.878 4.470 0.000 0.000 0.270 297 S C -1.562 173.004 174.600 -0.056 0.000 1.131 297 S CA -1.063 57.188 58.200 0.086 0.000 0.826 297 S CB 1.220 64.527 63.200 0.178 0.000 1.095 297 S HN 0.033 nan 8.310 nan 0.000 0.461 298 L N 2.089 123.419 121.223 0.179 0.000 2.305 298 L HA 0.549 4.889 4.340 0.000 0.000 0.284 298 L C -0.690 176.273 176.870 0.155 0.000 1.013 298 L CA -0.125 54.765 54.840 0.084 0.000 0.819 298 L CB 0.723 42.846 42.059 0.106 0.000 1.227 298 L HN 0.895 nan 8.230 nan 0.000 0.417 299 H N 6.339 125.363 119.070 -0.077 0.000 2.668 299 H HA 0.448 5.004 4.556 0.000 0.000 0.303 299 H C -0.212 175.060 175.328 -0.094 0.000 1.074 299 H CA -0.517 55.491 56.048 -0.066 0.000 1.406 299 H CB 1.046 30.775 29.762 -0.056 0.000 1.442 299 H HN 0.674 nan 8.280 nan 0.000 0.482 300 I N 0.281 120.847 120.570 -0.007 0.000 2.797 300 I HA 0.395 4.565 4.170 0.000 0.000 0.307 300 I C -0.744 175.429 176.117 0.094 0.000 1.033 300 I CA -0.932 60.343 61.300 -0.041 0.000 1.071 300 I CB 2.802 40.656 38.000 -0.243 0.000 1.255 300 I HN 0.596 nan 8.210 nan 0.000 0.445 301 H N 3.384 122.446 119.070 -0.013 0.000 2.800 301 H HA 0.213 4.769 4.556 0.000 0.000 0.322 301 H C -1.344 174.024 175.328 0.066 0.000 0.979 301 H CA -0.696 55.363 56.048 0.018 0.000 1.277 301 H CB 1.373 31.141 29.762 0.010 0.000 1.484 301 H HN 0.763 nan 8.280 nan 0.000 0.512 302 D N 5.570 126.008 120.400 0.062 0.000 2.363 302 D HA -0.029 4.611 4.640 0.000 0.000 0.263 302 D C 1.194 177.343 176.300 -0.252 0.000 1.258 302 D CA 0.057 54.058 54.000 0.000 0.000 0.907 302 D CB 0.861 41.774 40.800 0.189 0.000 1.107 302 D HN 0.682 nan 8.370 nan 0.000 0.495 303 L N 4.294 125.368 121.223 -0.247 0.000 2.291 303 L HA -0.133 4.207 4.340 0.000 0.000 0.214 303 L C 1.914 178.731 176.870 -0.089 0.000 1.120 303 L CA 0.229 54.919 54.840 -0.249 0.000 0.799 303 L CB -0.083 41.927 42.059 -0.082 0.000 0.925 303 L HN 0.519 nan 8.230 nan 0.000 0.446 304 I N -0.552 120.003 120.570 -0.025 0.000 2.296 304 I HA -0.140 4.030 4.170 0.000 0.000 0.242 304 I C 2.737 178.870 176.117 0.026 0.000 1.087 304 I CA 1.612 62.921 61.300 0.014 0.000 1.393 304 I CB -1.240 36.781 38.000 0.036 0.000 1.093 304 I HN 0.265 nan 8.210 nan 0.000 0.421 305 S N 0.401 116.128 115.700 0.045 0.000 2.436 305 S HA 0.106 4.576 4.470 0.000 0.000 0.228 305 S C 1.873 176.507 174.600 0.057 0.000 1.014 305 S CA 0.811 59.048 58.200 0.062 0.000 0.950 305 S CB -0.069 63.193 63.200 0.103 0.000 0.784 305 S HN 0.589 nan 8.310 nan 0.000 0.504 306 G N 1.108 109.941 108.800 0.056 0.000 2.199 306 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 306 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 306 G C -0.382 174.626 174.900 0.180 0.000 0.982 306 G CA 0.168 45.361 45.100 0.154 0.000 0.632 306 G HN 0.560 nan 8.290 nan 0.000 0.529 307 D N 0.740 121.182 120.400 0.071 0.000 2.399 307 D HA 0.483 5.123 4.640 0.000 0.000 0.241 307 D C 1.012 177.229 176.300 -0.138 0.000 1.133 307 D CA 0.293 54.219 54.000 -0.123 0.000 0.890 307 D CB 0.534 41.175 40.800 -0.263 0.000 1.201 307 D HN 0.424 nan 8.370 nan 0.000 0.432 308 R N 1.190 121.456 120.500 -0.390 0.000 2.664 308 R HA 0.639 4.979 4.340 0.000 0.000 0.286 308 R C -0.710 175.196 176.300 -0.658 0.000 0.967 308 R CA -0.690 55.220 56.100 -0.318 0.000 0.933 308 R CB 1.310 31.475 30.300 -0.225 0.000 1.146 308 R HN 0.300 nan 8.270 nan 0.000 0.468 309 F N -0.155 119.713 119.950 -0.137 0.000 2.643 309 F HA 0.319 4.846 4.527 0.000 0.000 0.314 309 F C -0.109 175.553 175.800 -0.230 0.000 1.096 309 F CA -0.989 56.917 58.000 -0.157 0.000 0.953 309 F CB 1.972 40.904 39.000 -0.113 0.000 1.345 309 F HN 0.269 nan 8.300 nan 0.000 0.468 310 E N 2.714 122.930 120.200 0.026 0.000 2.133 310 E HA 0.452 4.802 4.350 0.000 0.000 0.274 310 E C -1.047 175.626 176.600 0.121 0.000 0.930 310 E CA -0.625 55.807 56.400 0.053 0.000 0.770 310 E CB 1.963 31.701 29.700 0.063 0.000 1.104 310 E HN 0.231 nan 8.360 nan 0.000 0.403 311 I N 2.739 123.380 120.570 0.118 0.000 2.392 311 I HA 0.277 4.447 4.170 0.000 0.000 0.295 311 I C 0.119 176.370 176.117 0.224 0.000 0.985 311 I CA -0.884 60.495 61.300 0.132 0.000 1.221 311 I CB 1.179 39.208 38.000 0.048 0.000 1.366 311 I HN 0.388 nan 8.210 nan 0.000 0.467 312 K N 4.747 125.273 120.400 0.209 0.000 2.221 312 K HA 0.845 5.165 4.320 0.000 0.000 0.258 312 K C -1.211 175.465 176.600 0.127 0.000 0.944 312 K CA -0.354 56.064 56.287 0.219 0.000 0.823 312 K CB 1.864 34.457 32.500 0.155 0.000 1.113 312 K HN 0.800 nan 8.250 nan 0.000 0.431 313 A N 2.598 125.409 122.820 -0.016 0.000 2.593 313 A HA 0.412 4.732 4.320 0.000 0.000 0.290 313 A C -0.546 176.919 177.584 -0.197 0.000 1.126 313 A CA -0.649 51.252 52.037 -0.226 0.000 0.695 313 A CB 1.017 19.689 19.000 -0.547 0.000 1.290 313 A HN 0.753 nan 8.150 nan 0.000 0.414 314 D N -0.512 119.820 120.400 -0.114 0.000 2.162 314 D HA 0.105 4.745 4.640 0.000 0.000 0.203 314 D C 0.357 176.568 176.300 -0.148 0.000 0.967 314 D CA 1.674 55.679 54.000 0.008 0.000 0.840 314 D CB 0.146 41.024 40.800 0.130 0.000 0.972 314 D HN 0.226 nan 8.370 nan 0.000 0.482 315 V N 0.819 120.492 119.914 -0.402 0.000 2.588 315 V HA 0.277 4.397 4.120 0.000 0.000 0.304 315 V C -1.223 174.614 176.094 -0.428 0.000 1.042 315 V CA -0.865 61.187 62.300 -0.413 0.000 0.877 315 V CB 1.653 33.126 31.823 -0.584 0.000 0.996 315 V HN -0.053 nan 8.190 nan 0.000 0.425 316 Y N 3.069 123.349 120.300 -0.034 0.000 2.328 316 Y HA 0.667 5.217 4.550 0.000 0.000 0.333 316 Y C -0.081 175.772 175.900 -0.077 0.000 0.958 316 Y CA -0.878 57.190 58.100 -0.054 0.000 1.167 316 Y CB 2.054 40.481 38.460 -0.054 0.000 1.151 316 Y HN 0.377 nan 8.280 nan 0.000 0.470 317 V N 5.508 125.379 119.914 -0.072 0.000 2.448 317 V HA 0.393 4.513 4.120 0.000 0.000 0.295 317 V C -0.369 175.590 176.094 -0.226 0.000 1.025 317 V CA -0.938 61.203 62.300 -0.265 0.000 0.859 317 V CB 1.684 33.118 31.823 -0.649 0.000 0.988 317 V HN 0.594 nan 8.190 nan 0.000 0.431 318 L N 5.188 126.274 121.223 -0.229 0.000 2.277 318 L HA 0.532 4.872 4.340 0.000 0.000 0.284 318 L C 0.342 177.113 176.870 -0.166 0.000 1.028 318 L CA -0.159 54.572 54.840 -0.182 0.000 0.835 318 L CB 1.497 43.425 42.059 -0.218 0.000 1.215 318 L HN 0.832 nan 8.230 nan 0.000 0.425 319 T N -1.674 112.818 114.554 -0.103 0.000 3.624 319 T HA 0.361 4.711 4.350 0.000 0.000 0.244 319 T C 0.667 175.374 174.700 0.011 0.000 1.063 319 T CA -0.133 61.948 62.100 -0.032 0.000 1.252 319 T CB 1.018 69.871 68.868 -0.026 0.000 1.021 319 T HN 0.519 nan 8.240 nan 0.000 0.590 320 A N 0.761 123.596 122.820 0.024 0.000 2.345 320 A HA 0.778 5.098 4.320 0.000 0.000 0.225 320 A C 1.394 179.050 177.584 0.120 0.000 1.243 320 A CA 0.101 52.175 52.037 0.062 0.000 0.875 320 A CB -0.687 18.344 19.000 0.051 0.000 0.929 320 A HN 1.687 nan 8.150 nan 0.000 0.502 321 G N -2.439 106.427 108.800 0.111 0.000 2.663 321 G HA2 0.258 4.218 3.960 0.000 0.000 0.686 321 G HA3 0.258 4.218 3.960 0.000 0.000 0.686 321 G C 0.769 175.759 174.900 0.149 0.000 1.288 321 G CA -0.285 44.884 45.100 0.116 0.000 0.836 321 G HN 1.274 nan 8.290 nan 0.000 0.584 322 A N -0.648 122.245 122.820 0.121 0.000 1.972 322 A HA 0.229 4.549 4.320 0.000 0.000 0.219 322 A C 2.635 180.298 177.584 0.132 0.000 1.169 322 A CA 3.190 55.298 52.037 0.117 0.000 0.635 322 A CB -0.345 18.693 19.000 0.064 0.000 0.810 322 A HN 1.574 nan 8.150 nan 0.000 0.446 323 V N -0.998 118.948 119.914 0.054 0.000 2.302 323 V HA -0.193 3.927 4.120 0.000 0.000 0.243 323 V C 2.216 178.338 176.094 0.046 0.000 1.036 323 V CA 2.122 64.425 62.300 0.005 0.000 1.020 323 V CB -1.024 30.679 31.823 -0.201 0.000 0.657 323 V HN 0.733 nan 8.190 nan 0.000 0.453 324 H N -0.275 118.872 119.070 0.128 0.000 2.502 324 H HA -0.031 4.525 4.556 0.000 0.000 0.283 324 H C 2.278 177.603 175.328 -0.005 0.000 1.015 324 H CA 0.927 57.006 56.048 0.050 0.000 1.298 324 H CB 0.124 29.896 29.762 0.017 0.000 1.411 324 H HN 0.325 nan 8.280 nan 0.000 0.556 325 N N -0.038 118.738 118.700 0.126 0.000 2.069 325 N HA -0.128 4.612 4.740 0.000 0.000 0.191 325 N C 1.825 177.323 175.510 -0.020 0.000 1.031 325 N CA 1.855 54.911 53.050 0.011 0.000 0.852 325 N CB -0.581 37.893 38.487 -0.022 0.000 1.018 325 N HN 0.310 nan 8.380 nan 0.000 0.423 326 T N 1.022 115.643 114.554 0.112 0.000 2.684 326 T HA -0.207 4.143 4.350 0.000 0.000 0.267 326 T C 1.843 176.408 174.700 -0.225 0.000 1.036 326 T CA 1.310 63.475 62.100 0.109 0.000 1.148 326 T CB -0.320 68.759 68.868 0.352 0.000 0.863 326 T HN 0.361 nan 8.240 nan 0.000 0.436 327 Q N 0.193 119.735 119.800 -0.430 0.000 2.030 327 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 327 Q C 2.349 178.061 176.000 -0.479 0.000 0.986 327 Q CA 1.328 56.546 55.803 -0.974 0.000 0.843 327 Q CB -0.283 28.223 28.738 -0.386 0.000 0.904 327 Q HN 0.381 nan 8.270 nan 0.000 0.420 328 L N 0.851 121.933 121.223 -0.235 0.000 2.046 328 L HA -0.155 4.185 4.340 0.000 0.000 0.208 328 L C 2.018 178.796 176.870 -0.153 0.000 1.077 328 L CA 1.602 56.341 54.840 -0.168 0.000 0.747 328 L CB -1.101 40.883 42.059 -0.126 0.000 0.896 328 L HN 0.360 nan 8.230 nan 0.000 0.432 329 L N -1.404 119.718 121.223 -0.169 0.000 2.017 329 L HA -0.206 4.134 4.340 0.000 0.000 0.208 329 L C 2.527 179.432 176.870 0.057 0.000 1.073 329 L CA 1.182 55.961 54.840 -0.102 0.000 0.745 329 L CB -0.672 41.237 42.059 -0.250 0.000 0.894 329 L HN 0.088 nan 8.230 nan 0.000 0.432 330 V N 0.006 119.881 119.914 -0.064 0.000 2.332 330 V HA -0.303 3.817 4.120 0.000 0.000 0.248 330 V C 2.114 178.176 176.094 -0.052 0.000 1.055 330 V CA 2.127 64.404 62.300 -0.038 0.000 1.038 330 V CB -0.757 30.998 31.823 -0.113 0.000 0.651 330 V HN 0.493 nan 8.190 nan 0.000 0.450 331 N N -0.046 118.581 118.700 -0.121 0.000 2.520 331 N HA -0.098 4.642 4.740 0.000 0.000 0.185 331 N C 1.537 177.011 175.510 -0.060 0.000 1.068 331 N CA 1.128 54.127 53.050 -0.085 0.000 0.911 331 N CB -0.061 38.363 38.487 -0.106 0.000 0.961 331 N HN 0.414 nan 8.380 nan 0.000 0.446 332 S N -1.520 114.162 115.700 -0.030 0.000 2.556 332 S HA 0.309 4.779 4.470 0.000 0.000 0.216 332 S C 1.058 175.590 174.600 -0.113 0.000 0.970 332 S CA 0.262 58.438 58.200 -0.039 0.000 0.912 332 S CB 0.531 63.763 63.200 0.055 0.000 0.790 332 S HN 0.524 nan 8.310 nan 0.000 0.504 333 G N 1.174 109.920 108.800 -0.089 0.000 2.141 333 G HA2 -0.239 3.721 3.960 0.000 0.000 0.242 333 G HA3 -0.239 3.721 3.960 0.000 0.000 0.242 333 G C -0.092 174.658 174.900 -0.249 0.000 0.982 333 G CA -0.450 44.551 45.100 -0.164 0.000 0.662 333 G HN 0.423 nan 8.290 nan 0.000 0.527 334 F N 0.786 120.693 119.950 -0.073 0.000 2.371 334 F HA 0.561 5.088 4.527 0.000 0.000 0.329 334 F C 1.566 177.367 175.800 0.001 0.000 1.107 334 F CA 0.861 58.832 58.000 -0.049 0.000 1.137 334 F CB 1.114 40.053 39.000 -0.103 0.000 1.214 334 F HN 0.750 nan 8.300 nan 0.000 0.536 335 G N 1.981 110.912 108.800 0.218 0.000 2.574 335 G HA2 -0.290 3.670 3.960 0.000 0.000 0.282 335 G HA3 -0.290 3.670 3.960 0.000 0.000 0.282 335 G C -0.769 174.201 174.900 0.116 0.000 1.257 335 G CA -0.066 45.135 45.100 0.167 0.000 0.956 335 G HN 0.814 nan 8.290 nan 0.000 0.560 336 Q N -1.032 118.844 119.800 0.127 0.000 2.304 336 Q HA 0.621 4.961 4.340 0.000 0.000 0.270 336 Q C -0.904 175.178 176.000 0.137 0.000 1.035 336 Q CA -0.991 54.868 55.803 0.093 0.000 0.781 336 Q CB 1.697 30.471 28.738 0.060 0.000 1.261 336 Q HN 0.770 nan 8.270 nan 0.000 0.444 337 L N 3.535 124.827 121.223 0.115 0.000 2.371 337 L HA 0.721 5.061 4.340 0.000 0.000 0.272 337 L C 0.386 177.341 176.870 0.140 0.000 1.124 337 L CA 1.877 56.814 54.840 0.162 0.000 0.816 337 L CB 1.005 43.133 42.059 0.115 0.000 1.129 337 L HN 0.846 nan 8.230 nan 0.000 0.448 338 G N 3.599 112.541 108.800 0.235 0.000 2.728 338 G HA2 -0.213 3.747 3.960 0.000 0.000 0.294 338 G HA3 -0.213 3.747 3.960 0.000 0.000 0.294 338 G C -0.504 174.282 174.900 -0.190 0.000 1.342 338 G CA -0.211 44.983 45.100 0.155 0.000 0.866 338 G HN 0.908 nan 8.290 nan 0.000 0.534 339 R N 0.737 120.873 120.500 -0.608 0.000 2.570 339 R HA 0.364 4.704 4.340 0.000 0.000 0.277 339 R C -1.878 173.959 176.300 -0.772 0.000 1.039 339 R CA -0.577 54.709 56.100 -1.357 0.000 1.065 339 R CB 0.022 29.820 30.300 -0.836 0.000 0.964 339 R HN 0.356 nan 8.270 nan 0.000 0.428 340 P HA -0.055 nan 4.420 nan 0.000 0.262 340 P C -1.286 175.860 177.300 -0.257 0.000 1.182 340 P CA 0.463 63.322 63.100 -0.400 0.000 0.761 340 P CB 0.338 31.832 31.700 -0.342 0.000 0.795 341 N N 3.810 122.415 118.700 -0.158 0.000 2.648 341 N HA 0.174 4.914 4.740 0.000 0.000 0.261 341 N C -1.822 173.647 175.510 -0.067 0.000 1.138 341 N CA -1.875 51.109 53.050 -0.109 0.000 0.804 341 N CB 1.308 39.737 38.487 -0.096 0.000 1.237 341 N HN 0.159 nan 8.380 nan 0.000 0.532 342 P HA -0.054 nan 4.420 nan 0.000 0.223 342 P C 1.148 178.433 177.300 -0.026 0.000 1.151 342 P CA 0.564 63.643 63.100 -0.036 0.000 0.787 342 P CB 0.328 32.006 31.700 -0.036 0.000 0.788 343 A N 0.792 123.593 122.820 -0.031 0.000 1.883 343 A HA -0.187 4.133 4.320 0.000 0.000 0.217 343 A C 1.654 179.227 177.584 -0.019 0.000 1.186 343 A CA 2.033 54.055 52.037 -0.024 0.000 0.624 343 A CB -1.337 17.646 19.000 -0.028 0.000 0.822 343 A HN 0.329 nan 8.150 nan 0.000 0.444 344 N N -0.319 118.367 118.700 -0.023 0.000 2.886 344 N HA 0.278 5.018 4.740 0.000 0.000 0.285 344 N C -3.068 172.435 175.510 -0.011 0.000 1.706 344 N CA -2.234 50.806 53.050 -0.016 0.000 0.904 344 N CB 0.777 39.253 38.487 -0.020 0.000 1.224 344 N HN 0.117 nan 8.380 nan 0.000 0.488 345 P HA 0.256 nan 4.420 nan 0.000 0.272 345 P C -2.568 174.743 177.300 0.017 0.000 1.223 345 P CA -0.878 62.227 63.100 0.009 0.000 0.784 345 P CB 0.090 31.799 31.700 0.015 0.000 0.923 346 P HA 0.141 nan 4.420 nan 0.000 0.277 346 P C 0.820 178.142 177.300 0.037 0.000 1.240 346 P CA -0.206 62.915 63.100 0.035 0.000 0.798 346 P CB 1.260 32.995 31.700 0.058 0.000 0.979 347 E N 1.001 121.216 120.200 0.024 0.000 2.051 347 E HA -0.086 4.264 4.350 0.000 0.000 0.192 347 E C 0.020 176.651 176.600 0.051 0.000 0.991 347 E CA 0.879 57.293 56.400 0.023 0.000 0.799 347 E CB 0.008 29.708 29.700 -0.001 0.000 0.748 347 E HN 0.405 nan 8.360 nan 0.000 0.449 348 L N 1.127 122.388 121.223 0.064 0.000 2.329 348 L HA 0.287 4.627 4.340 0.000 0.000 0.279 348 L C -0.028 176.965 176.870 0.205 0.000 1.014 348 L CA -0.809 54.113 54.840 0.137 0.000 0.814 348 L CB 1.797 43.894 42.059 0.063 0.000 1.257 348 L HN 0.174 nan 8.230 nan 0.000 0.424 349 L N 3.615 124.986 121.223 0.246 0.000 3.823 349 L HA -0.180 4.160 4.340 0.000 0.000 0.525 349 L C -1.451 175.531 176.870 0.186 0.000 1.247 349 L CA -0.469 54.513 54.840 0.236 0.000 0.776 349 L CB -0.813 41.407 42.059 0.269 0.000 1.443 349 L HN 0.604 nan 8.230 nan 0.000 0.831 350 P HA -0.097 nan 4.420 nan 0.000 0.226 350 P C 1.218 178.614 177.300 0.160 0.000 1.153 350 P CA 0.934 64.112 63.100 0.130 0.000 0.777 350 P CB 0.347 32.106 31.700 0.097 0.000 0.794 351 S N -0.530 115.283 115.700 0.187 0.000 2.593 351 S HA 0.054 4.524 4.470 0.000 0.000 0.217 351 S C 0.853 175.609 174.600 0.259 0.000 0.966 351 S CA -0.359 57.994 58.200 0.255 0.000 0.914 351 S CB -0.700 62.632 63.200 0.219 0.000 0.776 351 S HN 0.075 nan 8.310 nan 0.000 0.523 352 L N 2.354 123.709 121.223 0.219 0.000 2.513 352 L HA 0.380 4.720 4.340 0.000 0.000 0.272 352 L C 1.196 178.207 176.870 0.235 0.000 1.187 352 L CA 1.048 56.019 54.840 0.219 0.000 0.895 352 L CB -0.429 41.748 42.059 0.197 0.000 1.147 352 L HN 0.340 nan 8.230 nan 0.000 0.483 353 G N 2.481 111.429 108.800 0.246 0.000 2.168 353 G HA2 -0.275 3.685 3.960 0.000 0.000 0.263 353 G HA3 -0.275 3.685 3.960 0.000 0.000 0.263 353 G C 0.439 175.464 174.900 0.209 0.000 0.977 353 G CA 0.423 45.668 45.100 0.241 0.000 0.659 353 G HN 0.813 nan 8.290 nan 0.000 0.533 354 S N -1.446 114.383 115.700 0.215 0.000 2.681 354 S HA 0.647 5.117 4.470 0.000 0.000 0.299 354 S C 0.370 175.121 174.600 0.251 0.000 1.113 354 S CA 0.079 58.351 58.200 0.119 0.000 1.013 354 S CB 0.887 64.088 63.200 0.002 0.000 1.076 354 S HN 0.926 nan 8.310 nan 0.000 0.534 355 Y N -1.042 119.323 120.300 0.108 0.000 4.032 355 Y HA -0.198 4.353 4.550 0.000 0.000 0.230 355 Y C 0.437 176.414 175.900 0.128 0.000 1.202 355 Y CA 0.150 58.312 58.100 0.103 0.000 1.878 355 Y CB -2.214 36.303 38.460 0.095 0.000 1.586 355 Y HN 0.620 nan 8.280 nan 0.000 0.673 356 I N -0.102 120.611 120.570 0.238 0.000 2.575 356 I HA 0.528 4.698 4.170 0.000 0.000 0.285 356 I C 0.644 176.922 176.117 0.269 0.000 1.085 356 I CA 0.338 61.782 61.300 0.238 0.000 1.403 356 I CB 1.425 39.568 38.000 0.238 0.000 1.409 356 I HN 0.209 nan 8.210 nan 0.000 0.557 357 T N 1.897 116.570 114.554 0.198 0.000 2.863 357 T HA 0.666 5.016 4.350 0.000 0.000 0.285 357 T C -0.637 174.080 174.700 0.027 0.000 1.009 357 T CA -0.664 61.539 62.100 0.171 0.000 0.989 357 T CB 2.010 70.925 68.868 0.077 0.000 1.004 357 T HN 0.817 nan 8.240 nan 0.000 0.455 358 E N 1.431 121.621 120.200 -0.018 0.000 2.314 358 E HA 0.354 4.704 4.350 0.000 0.000 0.272 358 E C -0.970 175.724 176.600 0.157 0.000 0.884 358 E CA -0.597 55.741 56.400 -0.103 0.000 0.753 358 E CB 2.007 31.422 29.700 -0.476 0.000 1.213 358 E HN 0.722 nan 8.360 nan 0.000 0.432 359 Q N 1.100 120.993 119.800 0.154 0.000 2.340 359 Q HA 0.405 4.745 4.340 0.000 0.000 0.249 359 Q C -0.402 175.795 176.000 0.328 0.000 0.957 359 Q CA -0.288 55.661 55.803 0.243 0.000 0.882 359 Q CB 1.092 29.984 28.738 0.256 0.000 1.235 359 Q HN 0.454 nan 8.270 nan 0.000 0.439 360 S N 1.603 117.417 115.700 0.190 0.000 2.549 360 S HA 0.308 4.778 4.470 0.000 0.000 0.279 360 S C -0.656 173.992 174.600 0.080 0.000 1.321 360 S CA -0.483 57.706 58.200 -0.017 0.000 1.054 360 S CB 0.375 63.478 63.200 -0.163 0.000 0.899 360 S HN 0.360 nan 8.310 nan 0.000 0.497 361 L N 4.901 126.146 121.223 0.037 0.000 2.409 361 L HA 0.692 5.032 4.340 0.000 0.000 0.272 361 L C -0.742 176.002 176.870 -0.209 0.000 0.980 361 L CA -0.678 54.091 54.840 -0.118 0.000 0.826 361 L CB 1.594 43.579 42.059 -0.123 0.000 1.268 361 L HN 0.480 nan 8.230 nan 0.000 0.407 362 V N 2.228 121.938 119.914 -0.340 0.000 2.667 362 V HA 0.751 4.871 4.120 0.000 0.000 0.308 362 V C -0.971 174.996 176.094 -0.211 0.000 1.048 362 V CA -0.661 61.366 62.300 -0.454 0.000 0.928 362 V CB 1.645 33.014 31.823 -0.757 0.000 1.004 362 V HN 0.798 nan 8.190 nan 0.000 0.444 363 F N 4.768 124.519 119.950 -0.331 0.000 2.591 363 F HA 0.866 5.393 4.527 0.000 0.000 0.309 363 F C -0.380 175.292 175.800 -0.213 0.000 1.098 363 F CA -0.191 57.690 58.000 -0.199 0.000 0.937 363 F CB 1.524 40.451 39.000 -0.122 0.000 1.250 363 F HN 1.195 nan 8.300 nan 0.000 0.447 364 C N 2.686 121.330 119.300 -1.092 0.000 3.332 364 C HA 0.813 5.273 4.460 0.000 0.000 0.329 364 C C -1.658 172.746 174.990 -0.976 0.000 1.434 364 C CA -0.704 57.625 59.018 -1.147 0.000 1.314 364 C CB 1.695 29.033 27.740 -0.671 0.000 1.664 364 C HN 0.965 nan 8.230 nan 0.000 0.457 365 Q N 0.603 120.074 119.800 -0.548 0.000 2.377 365 Q HA 0.744 5.084 4.340 0.000 0.000 0.271 365 Q C -0.513 175.504 176.000 0.028 0.000 1.077 365 Q CA -0.206 55.512 55.803 -0.142 0.000 0.820 365 Q CB 2.665 31.314 28.738 -0.149 0.000 1.347 365 Q HN 0.935 nan 8.270 nan 0.000 0.444 366 T N -2.420 112.230 114.554 0.160 0.000 2.932 366 T HA 0.701 5.051 4.350 0.000 0.000 0.289 366 T C -0.487 174.264 174.700 0.084 0.000 1.039 366 T CA -0.728 61.438 62.100 0.109 0.000 1.024 366 T CB 1.230 70.174 68.868 0.126 0.000 1.090 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.915 122.847 119.914 0.030 0.000 2.384 367 V HA 0.387 4.507 4.120 0.000 0.000 0.287 367 V C 0.315 176.413 176.094 0.007 0.000 1.020 367 V CA -0.918 61.392 62.300 0.015 0.000 0.850 367 V CB 1.127 32.950 31.823 0.000 0.000 0.987 367 V HN 1.020 nan 8.190 nan 0.000 0.436 368 M N 4.790 124.401 119.600 0.018 0.000 2.248 368 M HA 0.078 4.558 4.480 0.000 0.000 0.343 368 M C 0.867 177.168 176.300 0.001 0.000 1.243 368 M CA 0.732 56.044 55.300 0.020 0.000 1.025 368 M CB 0.613 33.223 32.600 0.017 0.000 1.759 368 M HN 0.920 nan 8.290 nan 0.000 0.452 369 S N 2.530 118.229 115.700 -0.002 0.000 2.572 369 S HA 0.084 4.554 4.470 0.000 0.000 0.279 369 S C 1.024 175.622 174.600 -0.004 0.000 1.341 369 S CA -0.157 58.035 58.200 -0.015 0.000 1.043 369 S CB 0.610 63.798 63.200 -0.021 0.000 0.887 369 S HN 0.810 nan 8.310 nan 0.000 0.516 370 T N 2.264 116.813 114.554 -0.009 0.000 2.699 370 T HA -0.168 4.182 4.350 0.000 0.000 0.268 370 T C 1.641 176.345 174.700 0.007 0.000 1.036 370 T CA 1.986 64.085 62.100 -0.001 0.000 1.147 370 T CB -0.523 68.342 68.868 -0.005 0.000 0.862 370 T HN 0.777 nan 8.240 nan 0.000 0.446 371 E N 0.546 120.747 120.200 0.002 0.000 2.058 371 E HA -0.112 4.238 4.350 0.000 0.000 0.194 371 E C 2.284 178.900 176.600 0.026 0.000 0.997 371 E CA 1.048 57.453 56.400 0.008 0.000 0.801 371 E CB -0.306 29.392 29.700 -0.003 0.000 0.746 371 E HN 0.448 nan 8.360 nan 0.000 0.450 372 L N 0.640 121.880 121.223 0.029 0.000 2.056 372 L HA -0.174 4.166 4.340 0.000 0.000 0.207 372 L C 2.433 179.341 176.870 0.062 0.000 1.078 372 L CA 0.400 55.272 54.840 0.054 0.000 0.749 372 L CB -0.243 41.847 42.059 0.051 0.000 0.901 372 L HN 0.179 nan 8.230 nan 0.000 0.433 373 I N 0.008 120.601 120.570 0.038 0.000 2.179 373 I HA -0.277 3.893 4.170 0.000 0.000 0.242 373 I C 2.154 178.300 176.117 0.048 0.000 1.088 373 I CA 1.500 62.819 61.300 0.030 0.000 1.357 373 I CB -1.125 36.883 38.000 0.013 0.000 1.051 373 I HN 0.271 nan 8.210 nan 0.000 0.409 374 D N 0.710 121.137 120.400 0.046 0.000 2.149 374 D HA -0.143 4.497 4.640 0.000 0.000 0.198 374 D C 2.363 178.710 176.300 0.079 0.000 0.990 374 D CA 1.691 55.722 54.000 0.052 0.000 0.839 374 D CB -0.148 40.673 40.800 0.036 0.000 0.948 374 D HN 0.379 nan 8.370 nan 0.000 0.460 375 S N -0.031 115.728 115.700 0.097 0.000 2.419 375 S HA -0.110 4.360 4.470 0.000 0.000 0.233 375 S C 2.153 176.915 174.600 0.270 0.000 1.016 375 S CA 0.697 58.989 58.200 0.154 0.000 0.974 375 S CB -0.510 62.777 63.200 0.146 0.000 0.786 375 S HN 0.086 nan 8.310 nan 0.000 0.492 376 V N 2.967 123.011 119.914 0.218 0.000 2.392 376 V HA -0.163 3.957 4.120 0.000 0.000 0.249 376 V C 2.206 178.452 176.094 0.253 0.000 1.059 376 V CA 2.134 64.593 62.300 0.265 0.000 1.051 376 V CB -0.813 31.066 31.823 0.093 0.000 0.658 376 V HN 0.825 nan 8.190 nan 0.000 0.455 377 K N 0.314 120.811 120.400 0.160 0.000 2.498 377 K HA 0.180 4.500 4.320 0.000 0.000 0.207 377 K C 1.583 178.245 176.600 0.102 0.000 1.033 377 K CA 0.667 57.028 56.287 0.123 0.000 1.138 377 K CB 0.192 32.745 32.500 0.089 0.000 0.860 377 K HN 0.415 nan 8.250 nan 0.000 0.490 378 S N 0.898 116.670 115.700 0.121 0.000 2.419 378 S HA -0.176 4.294 4.470 0.000 0.000 0.235 378 S C 0.981 175.589 174.600 0.012 0.000 1.019 378 S CA 1.343 59.573 58.200 0.049 0.000 0.982 378 S CB -0.259 62.944 63.200 0.005 0.000 0.789 378 S HN 0.331 nan 8.310 nan 0.000 0.490 379 D N 0.647 121.060 120.400 0.023 0.000 2.339 379 D HA 0.234 4.874 4.640 0.000 0.000 0.217 379 D C 0.218 176.550 176.300 0.053 0.000 1.050 379 D CA 0.246 54.248 54.000 0.003 0.000 0.856 379 D CB -0.032 40.747 40.800 -0.035 0.000 0.922 379 D HN 0.366 nan 8.370 nan 0.000 0.518 380 M N 0.475 120.109 119.600 0.056 0.000 2.250 380 M HA 0.210 4.690 4.480 0.000 0.000 0.344 380 M C 0.300 176.627 176.300 0.046 0.000 1.150 380 M CA 0.103 55.446 55.300 0.071 0.000 1.147 380 M CB 0.945 33.581 32.600 0.059 0.000 1.498 380 M HN -0.319 nan 8.290 nan 0.000 0.461 381 T N 4.103 118.678 114.554 0.036 0.000 2.758 381 T HA 0.678 5.028 4.350 0.000 0.000 0.285 381 T C 0.055 174.739 174.700 -0.027 0.000 0.981 381 T CA -0.387 61.716 62.100 0.005 0.000 0.965 381 T CB 0.629 69.495 68.868 -0.002 0.000 0.927 381 T HN 0.426 nan 8.240 nan 0.000 0.448 382 I N 3.429 123.984 120.570 -0.025 0.000 2.378 382 I HA 0.491 4.661 4.170 0.000 0.000 0.291 382 I C 0.339 176.430 176.117 -0.043 0.000 0.992 382 I CA -0.748 60.516 61.300 -0.059 0.000 1.154 382 I CB 1.392 39.401 38.000 0.014 0.000 1.315 382 I HN 0.253 nan 8.210 nan 0.000 0.448 383 R N 3.980 124.414 120.500 -0.111 0.000 2.621 383 R HA 0.685 5.025 4.340 0.000 0.000 0.292 383 R C 0.032 176.348 176.300 0.026 0.000 0.969 383 R CA -0.240 55.833 56.100 -0.044 0.000 0.887 383 R CB 2.203 32.461 30.300 -0.070 0.000 1.180 383 R HN 0.917 nan 8.270 nan 0.000 0.450 384 G N 1.238 110.099 108.800 0.101 0.000 2.568 384 G HA2 -0.273 3.687 3.960 0.000 0.000 0.222 384 G HA3 -0.273 3.687 3.960 0.000 0.000 0.222 384 G C -0.799 174.252 174.900 0.252 0.000 1.321 384 G CA -0.230 44.969 45.100 0.166 0.000 0.893 384 G HN 0.678 nan 8.290 nan 0.000 0.569 385 T N -0.927 113.758 114.554 0.218 0.000 2.848 385 T HA 0.692 5.042 4.350 0.000 0.000 0.285 385 T C -2.886 171.734 174.700 -0.134 0.000 0.995 385 T CA -1.352 60.788 62.100 0.066 0.000 0.970 385 T CB 2.529 71.407 68.868 0.017 0.000 0.976 385 T HN 0.528 nan 8.240 nan 0.000 0.441 386 P HA 0.253 nan 4.420 nan 0.000 0.266 386 P C 1.238 178.314 177.300 -0.374 0.000 1.193 386 P CA 1.231 63.773 63.100 -0.930 0.000 0.770 386 P CB 0.107 31.380 31.700 -0.711 0.000 0.836 387 G N 0.698 109.332 108.800 -0.275 0.000 2.162 387 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 387 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 387 G C -0.050 174.824 174.900 -0.044 0.000 0.976 387 G CA 0.057 45.092 45.100 -0.109 0.000 0.655 387 G HN 0.551 nan 8.290 nan 0.000 0.533 388 E N -1.328 118.863 120.200 -0.015 0.000 2.281 388 E HA 0.663 5.013 4.350 0.000 0.000 0.262 388 E C 1.011 177.655 176.600 0.072 0.000 0.933 388 E CA -1.195 55.222 56.400 0.029 0.000 0.809 388 E CB 1.009 30.727 29.700 0.031 0.000 1.242 388 E HN -0.063 nan 8.360 nan 0.000 0.418 389 L N 1.016 122.271 121.223 0.053 0.000 2.127 389 L HA -0.158 4.182 4.340 0.000 0.000 0.211 389 L C 2.198 179.107 176.870 0.066 0.000 1.089 389 L CA 2.169 57.041 54.840 0.053 0.000 0.757 389 L CB -1.262 40.816 42.059 0.032 0.000 0.899 389 L HN 0.787 nan 8.230 nan 0.000 0.434 390 T N -4.758 109.841 114.554 0.076 0.000 3.118 390 T HA -0.152 4.198 4.350 0.000 0.000 0.260 390 T C 0.731 175.496 174.700 0.108 0.000 1.139 390 T CA -0.155 61.988 62.100 0.072 0.000 1.085 390 T CB -0.635 68.271 68.868 0.063 0.000 0.934 390 T HN 0.096 nan 8.240 nan 0.000 0.518 391 Y N 2.494 122.794 120.300 0.001 0.000 2.465 391 Y HA 0.472 5.022 4.550 0.000 0.000 0.331 391 Y C 0.059 175.960 175.900 0.003 0.000 1.102 391 Y CA -1.016 57.085 58.100 0.002 0.000 1.358 391 Y CB 0.533 38.993 38.460 -0.001 0.000 1.213 391 Y HN 0.143 nan 8.280 nan 0.000 0.525 392 S N 5.248 120.644 115.700 -0.507 0.000 2.619 392 S HA 0.702 5.172 4.470 0.000 0.000 0.280 392 S C -1.957 172.339 174.600 -0.507 0.000 1.150 392 S CA -0.680 57.282 58.200 -0.397 0.000 0.978 392 S CB 0.675 63.768 63.200 -0.178 0.000 1.041 392 S HN 0.449 nan 8.310 nan 0.000 0.485 393 V N 4.744 124.434 119.914 -0.374 0.000 2.444 393 V HA 0.722 4.842 4.120 0.000 0.000 0.294 393 V C 0.191 176.250 176.094 -0.059 0.000 1.022 393 V CA -0.493 61.680 62.300 -0.212 0.000 0.850 393 V CB 1.304 33.032 31.823 -0.158 0.000 0.992 393 V HN 0.999 nan 8.190 nan 0.000 0.426 394 T N 1.802 116.351 114.554 -0.008 0.000 2.901 394 T HA 0.879 5.229 4.350 0.000 0.000 0.293 394 T C -0.998 173.796 174.700 0.157 0.000 1.084 394 T CA -0.725 61.404 62.100 0.050 0.000 1.008 394 T CB 2.390 71.239 68.868 -0.031 0.000 1.170 394 T HN 0.820 nan 8.240 nan 0.000 0.509 395 Y N -1.690 118.599 120.300 -0.019 0.000 2.644 395 Y HA 0.776 5.326 4.550 0.000 0.000 0.338 395 Y C -0.921 174.969 175.900 -0.016 0.000 1.119 395 Y CA -1.327 56.763 58.100 -0.016 0.000 1.060 395 Y CB 0.869 39.326 38.460 -0.005 0.000 1.294 395 Y HN 0.648 nan 8.280 nan 0.000 0.472 396 T N 4.250 118.763 114.554 -0.067 0.000 2.781 396 T HA 0.400 4.750 4.350 0.000 0.000 0.305 396 T C -2.803 171.850 174.700 -0.078 0.000 1.001 396 T CA -1.336 60.675 62.100 -0.148 0.000 0.950 396 T CB 0.629 69.468 68.868 -0.050 0.000 0.955 396 T HN 0.366 nan 8.240 nan 0.000 0.471 397 P HA 0.214 nan 4.420 nan 0.000 0.265 397 P C 1.145 178.466 177.300 0.035 0.000 1.193 397 P CA 0.713 63.822 63.100 0.016 0.000 0.765 397 P CB 0.345 32.021 31.700 -0.040 0.000 0.823 398 G N 1.783 110.624 108.800 0.069 0.000 2.184 398 G HA2 -0.247 3.713 3.960 0.000 0.000 0.264 398 G HA3 -0.247 3.713 3.960 0.000 0.000 0.264 398 G C 0.498 175.404 174.900 0.010 0.000 0.975 398 G CA 0.063 45.182 45.100 0.031 0.000 0.642 398 G HN 0.873 nan 8.290 nan 0.000 0.536 399 A N 0.609 123.436 122.820 0.012 0.000 2.540 399 A HA 0.582 4.902 4.320 0.000 0.000 0.239 399 A C 1.779 179.351 177.584 -0.020 0.000 1.061 399 A CA 1.429 53.463 52.037 -0.005 0.000 0.758 399 A CB 0.285 19.285 19.000 0.000 0.000 0.991 399 A HN 1.791 nan 8.150 nan 0.000 0.502 400 S N 1.144 116.829 115.700 -0.026 0.000 2.481 400 S HA -0.117 4.353 4.470 0.000 0.000 0.231 400 S C 1.332 175.901 174.600 -0.053 0.000 0.996 400 S CA 1.461 59.639 58.200 -0.036 0.000 0.942 400 S CB -0.659 62.524 63.200 -0.029 0.000 0.768 400 S HN 1.199 nan 8.310 nan 0.000 0.520 401 T N -1.172 113.351 114.554 -0.053 0.000 3.107 401 T HA 0.243 4.593 4.350 0.000 0.000 0.249 401 T C 0.359 174.999 174.700 -0.099 0.000 1.096 401 T CA -0.511 61.548 62.100 -0.068 0.000 1.012 401 T CB -0.563 68.274 68.868 -0.052 0.000 0.977 401 T HN 0.189 nan 8.240 nan 0.000 0.527 402 N N 2.606 121.246 118.700 -0.099 0.000 2.454 402 N HA 0.157 4.897 4.740 0.000 0.000 0.260 402 N C 0.983 176.335 175.510 -0.264 0.000 1.218 402 N CA -0.194 52.766 53.050 -0.150 0.000 0.904 402 N CB 0.946 39.374 38.487 -0.098 0.000 1.065 402 N HN 0.137 nan 8.380 nan 0.000 0.462 403 K N 1.253 121.388 120.400 -0.441 0.000 2.305 403 K HA 0.045 4.365 4.320 0.000 0.000 0.199 403 K C 0.054 176.106 176.600 -0.912 0.000 1.047 403 K CA 0.907 56.779 56.287 -0.691 0.000 0.976 403 K CB 0.054 31.985 32.500 -0.949 0.000 0.765 403 K HN 0.562 nan 8.250 nan 0.000 0.474 404 H N -0.028 118.722 119.070 -0.533 0.000 2.679 404 H HA 0.368 4.924 4.556 0.000 0.000 0.367 404 H C -2.355 172.638 175.328 -0.558 0.000 1.162 404 H CA -2.711 52.845 56.048 -0.820 0.000 1.181 404 H CB 1.394 30.266 29.762 -1.483 0.000 1.693 404 H HN -0.187 nan 8.280 nan 0.000 0.538 405 P HA 0.035 nan 4.420 nan 0.000 0.272 405 P C 0.452 177.565 177.300 -0.312 0.000 1.240 405 P CA -0.281 62.627 63.100 -0.320 0.000 0.791 405 P CB 1.121 32.597 31.700 -0.373 0.000 0.978 406 D N 0.240 120.593 120.400 -0.078 0.000 2.149 406 D HA -0.146 4.494 4.640 0.000 0.000 0.198 406 D C 1.832 178.162 176.300 0.051 0.000 0.990 406 D CA 1.207 55.239 54.000 0.053 0.000 0.839 406 D CB -0.498 40.424 40.800 0.202 0.000 0.948 406 D HN 0.614 nan 8.370 nan 0.000 0.460 407 W N 0.175 121.551 121.300 0.128 0.000 2.374 407 W HA -0.144 4.516 4.660 0.000 0.000 0.288 407 W C 1.857 178.459 176.519 0.137 0.000 1.218 407 W CA 0.181 57.598 57.345 0.119 0.000 1.245 407 W CB -1.228 28.295 29.460 0.106 0.000 1.126 407 W HN 0.074 nan 8.180 nan 0.000 0.545 408 W N 3.304 124.189 121.300 -0.691 0.000 2.488 408 W HA -0.075 4.585 4.660 0.000 0.000 0.304 408 W C 1.904 178.164 176.519 -0.430 0.000 1.175 408 W CA 1.315 58.221 57.345 -0.731 0.000 1.365 408 W CB -1.059 27.682 29.460 -1.198 0.000 1.131 408 W HN -0.174 nan 8.180 nan 0.000 0.520 409 N N 1.209 119.842 118.700 -0.112 0.000 2.149 409 N HA -0.215 4.525 4.740 0.000 0.000 0.188 409 N C 1.487 176.694 175.510 -0.505 0.000 1.019 409 N CA 2.004 54.774 53.050 -0.466 0.000 0.857 409 N CB -0.606 37.211 38.487 -1.116 0.000 0.997 409 N HN 0.250 nan 8.380 nan 0.000 0.426 410 E N 1.484 121.541 120.200 -0.239 0.000 2.072 410 E HA -0.069 4.281 4.350 0.000 0.000 0.191 410 E C 1.595 178.238 176.600 0.072 0.000 0.985 410 E CA 1.305 57.747 56.400 0.071 0.000 0.801 410 E CB 0.049 29.870 29.700 0.202 0.000 0.750 410 E HN 0.258 nan 8.360 nan 0.000 0.452 411 K N -0.313 120.123 120.400 0.059 0.000 2.097 411 K HA -0.083 4.237 4.320 0.000 0.000 0.206 411 K C 2.135 178.746 176.600 0.017 0.000 1.049 411 K CA 1.353 57.669 56.287 0.048 0.000 0.933 411 K CB -0.114 32.411 32.500 0.043 0.000 0.717 411 K HN 0.062 nan 8.250 nan 0.000 0.442 412 V N 2.206 122.101 119.914 -0.032 0.000 2.307 412 V HA -0.242 3.878 4.120 0.000 0.000 0.245 412 V C 2.462 178.594 176.094 0.062 0.000 1.045 412 V CA 1.640 63.937 62.300 -0.006 0.000 1.024 412 V CB -0.458 31.360 31.823 -0.009 0.000 0.651 412 V HN 0.350 nan 8.190 nan 0.000 0.449 413 K N 0.378 120.805 120.400 0.045 0.000 2.032 413 K HA -0.253 4.067 4.320 0.000 0.000 0.209 413 K C 1.974 178.628 176.600 0.089 0.000 1.048 413 K CA 2.063 58.404 56.287 0.090 0.000 0.927 413 K CB -0.276 32.333 32.500 0.181 0.000 0.712 413 K HN 0.422 nan 8.250 nan 0.000 0.441 414 N N 0.414 119.173 118.700 0.097 0.000 2.142 414 N HA -0.173 4.567 4.740 0.000 0.000 0.186 414 N C 1.784 177.344 175.510 0.082 0.000 1.023 414 N CA 1.379 54.479 53.050 0.084 0.000 0.852 414 N CB -0.624 37.919 38.487 0.095 0.000 0.998 414 N HN 0.453 nan 8.380 nan 0.000 0.424 415 H N 0.615 119.709 119.070 0.040 0.000 2.321 415 H HA 0.091 4.647 4.556 0.000 0.000 0.300 415 H C 2.045 177.416 175.328 0.072 0.000 1.087 415 H CA 1.768 57.853 56.048 0.061 0.000 1.319 415 H CB -0.088 29.633 29.762 -0.068 0.000 1.379 415 H HN 0.095 nan 8.280 nan 0.000 0.501 416 M N -0.801 118.800 119.600 0.002 0.000 2.229 416 M HA -0.136 4.345 4.480 0.000 0.000 0.264 416 M C 1.794 178.140 176.300 0.076 0.000 1.063 416 M CA 1.095 56.412 55.300 0.028 0.000 1.114 416 M CB 0.049 32.732 32.600 0.138 0.000 1.387 416 M HN 0.351 nan 8.290 nan 0.000 0.420 417 M N -0.433 119.192 119.600 0.042 0.000 2.236 417 M HA -0.080 4.400 4.480 0.000 0.000 0.266 417 M C 2.007 178.282 176.300 -0.042 0.000 1.070 417 M CA 1.412 56.741 55.300 0.048 0.000 1.137 417 M CB -0.930 31.682 32.600 0.019 0.000 1.378 417 M HN 0.280 nan 8.290 nan 0.000 0.426 418 Q N -0.414 119.284 119.800 -0.170 0.000 2.245 418 Q HA -0.045 4.295 4.340 0.000 0.000 0.201 418 Q C 0.080 175.717 176.000 -0.605 0.000 0.955 418 Q CA 0.921 56.486 55.803 -0.396 0.000 0.870 418 Q CB 0.316 28.742 28.738 -0.520 0.000 0.945 418 Q HN 0.582 nan 8.270 nan 0.000 0.461 419 H N 0.137 119.121 119.070 -0.142 0.000 2.380 419 H HA 0.237 4.793 4.556 0.000 0.000 0.231 419 H C 0.258 175.498 175.328 -0.148 0.000 1.415 419 H CA -0.096 55.870 56.048 -0.136 0.000 1.433 419 H CB 0.479 30.105 29.762 -0.227 0.000 1.544 419 H HN 0.210 nan 8.280 nan 0.000 0.503 420 Q N 0.677 120.464 119.800 -0.023 0.000 2.436 420 Q HA -0.098 4.242 4.340 0.000 0.000 0.209 420 Q C 1.792 177.736 176.000 -0.093 0.000 0.965 420 Q CA 0.753 56.502 55.803 -0.088 0.000 0.910 420 Q CB 0.459 29.105 28.738 -0.153 0.000 0.980 420 Q HN 0.486 nan 8.270 nan 0.000 0.491 421 E N 1.128 121.321 120.200 -0.011 0.000 2.481 421 E HA -0.090 4.260 4.350 0.000 0.000 0.195 421 E C -0.466 176.163 176.600 0.050 0.000 1.047 421 E CA 0.437 56.843 56.400 0.010 0.000 0.867 421 E CB 0.048 29.771 29.700 0.039 0.000 0.858 421 E HN 0.150 nan 8.360 nan 0.000 0.513 422 D N 1.944 122.389 120.400 0.075 0.000 2.232 422 D HA 0.142 4.782 4.640 0.000 0.000 0.242 422 D C -1.528 174.826 176.300 0.089 0.000 1.093 422 D CA -2.123 51.954 54.000 0.128 0.000 0.845 422 D CB 1.620 42.536 40.800 0.193 0.000 1.124 422 D HN -0.169 nan 8.370 nan 0.000 0.467 423 P HA 0.075 nan 4.420 nan 0.000 0.241 423 P C -0.164 177.175 177.300 0.066 0.000 1.191 423 P CA 0.233 63.369 63.100 0.060 0.000 0.771 423 P CB 0.417 32.144 31.700 0.045 0.000 0.929 424 L N 1.664 122.936 121.223 0.082 0.000 2.331 424 L HA 0.375 4.715 4.340 0.000 0.000 0.275 424 L C -1.383 175.515 176.870 0.047 0.000 1.022 424 L CA -2.239 52.622 54.840 0.036 0.000 0.812 424 L CB 2.281 44.328 42.059 -0.020 0.000 1.257 424 L HN -0.295 nan 8.230 nan 0.000 0.435 425 P HA 0.100 nan 4.420 nan 0.000 0.255 425 P C 0.164 177.334 177.300 -0.217 0.000 1.248 425 P CA 0.489 63.586 63.100 -0.006 0.000 0.807 425 P CB 0.387 32.095 31.700 0.013 0.000 1.150 426 I N 2.332 122.679 120.570 -0.372 0.000 2.352 426 I HA 0.228 4.398 4.170 0.000 0.000 0.290 426 I C -2.155 173.471 176.117 -0.820 0.000 1.036 426 I CA -2.795 58.228 61.300 -0.462 0.000 1.336 426 I CB 0.754 38.571 38.000 -0.306 0.000 1.407 426 I HN -0.256 nan 8.210 nan 0.000 0.497 427 P HA -0.023 nan 4.420 nan 0.000 0.266 427 P C 0.327 177.392 177.300 -0.392 0.000 1.195 427 P CA 0.088 62.831 63.100 -0.596 0.000 0.768 427 P CB 0.306 31.888 31.700 -0.198 0.000 0.838 428 F N 1.043 120.884 119.950 -0.182 0.000 2.202 428 F HA -0.142 4.385 4.527 0.000 0.000 0.301 428 F C 1.717 177.479 175.800 -0.063 0.000 1.082 428 F CA 1.589 59.523 58.000 -0.109 0.000 1.313 428 F CB -0.901 38.048 39.000 -0.086 0.000 1.024 428 F HN 0.420 nan 8.300 nan 0.000 0.495 429 E N -0.527 119.754 120.200 0.135 0.000 2.465 429 E HA 0.003 4.353 4.350 0.000 0.000 0.195 429 E C -0.187 176.434 176.600 0.035 0.000 1.028 429 E CA -0.238 56.215 56.400 0.087 0.000 0.899 429 E CB -0.136 29.619 29.700 0.092 0.000 1.032 429 E HN 0.182 nan 8.360 nan 0.000 0.468 430 D N 2.471 122.868 120.400 -0.005 0.000 2.450 430 D HA 0.027 4.667 4.640 0.000 0.000 0.247 430 D C -2.292 174.019 176.300 0.020 0.000 1.162 430 D CA -1.593 52.390 54.000 -0.028 0.000 0.879 430 D CB 0.815 41.554 40.800 -0.102 0.000 1.163 430 D HN -0.133 nan 8.370 nan 0.000 0.472 431 P HA 0.093 nan 4.420 nan 0.000 0.272 431 P C -0.411 176.999 177.300 0.182 0.000 1.240 431 P CA -0.456 62.727 63.100 0.138 0.000 0.791 431 P CB 0.375 32.150 31.700 0.125 0.000 0.978 432 E N 1.736 122.066 120.200 0.216 0.000 2.408 432 E HA 0.170 4.520 4.350 0.000 0.000 0.259 432 E C -2.491 174.160 176.600 0.085 0.000 1.110 432 E CA -1.852 54.611 56.400 0.105 0.000 0.929 432 E CB -1.013 28.713 29.700 0.044 0.000 0.971 432 E HN 0.221 nan 8.360 nan 0.000 0.438 433 P HA 0.081 nan 4.420 nan 0.000 0.272 433 P C -0.514 176.781 177.300 -0.008 0.000 1.223 433 P CA 0.012 63.175 63.100 0.104 0.000 0.784 433 P CB 0.383 32.088 31.700 0.008 0.000 0.923 434 Q N 0.955 120.835 119.800 0.134 0.000 3.394 434 Q HA 0.299 4.639 4.340 0.000 0.000 0.285 434 Q C -1.033 175.033 176.000 0.110 0.000 0.866 434 Q CA -0.302 55.451 55.803 -0.082 0.000 0.844 434 Q CB 1.059 29.474 28.738 -0.540 0.000 1.472 434 Q HN 0.183 nan 8.270 nan 0.000 0.401 435 V N 0.520 120.462 119.914 0.046 0.000 2.630 435 V HA 0.718 4.838 4.120 0.000 0.000 0.305 435 V C 0.219 176.317 176.094 0.007 0.000 1.046 435 V CA -0.379 61.953 62.300 0.053 0.000 0.934 435 V CB 2.021 33.816 31.823 -0.047 0.000 1.003 435 V HN 0.417 nan 8.190 nan 0.000 0.451 436 T N 1.646 116.244 114.554 0.073 0.000 2.916 436 T HA 0.455 4.805 4.350 0.000 0.000 0.305 436 T C -0.906 173.744 174.700 -0.084 0.000 1.119 436 T CA -0.318 61.770 62.100 -0.019 0.000 1.008 436 T CB 1.819 70.656 68.868 -0.052 0.000 1.129 436 T HN 0.830 nan 8.240 nan 0.000 0.480 437 T N 4.818 119.159 114.554 -0.354 0.000 2.772 437 T HA 0.587 4.937 4.350 0.000 0.000 0.288 437 T C 0.011 174.552 174.700 -0.265 0.000 0.994 437 T CA -0.599 61.121 62.100 -0.633 0.000 0.951 437 T CB -0.234 67.798 68.868 -1.393 0.000 0.933 437 T HN 0.516 nan 8.240 nan 0.000 0.447 438 L N 4.512 125.662 121.223 -0.121 0.000 2.467 438 L HA 0.341 4.681 4.340 0.000 0.000 0.270 438 L C 0.782 177.648 176.870 -0.007 0.000 1.205 438 L CA -0.837 54.015 54.840 0.020 0.000 0.828 438 L CB 0.134 42.205 42.059 0.020 0.000 1.101 438 L HN 0.630 nan 8.230 nan 0.000 0.479 439 F N 3.153 123.029 119.950 -0.123 0.000 2.480 439 F HA -0.144 4.383 4.527 0.000 0.000 0.409 439 F C 0.348 175.892 175.800 -0.426 0.000 0.979 439 F CA 0.774 58.609 58.000 -0.274 0.000 1.184 439 F CB 0.050 38.937 39.000 -0.188 0.000 0.925 439 F HN 0.405 nan 8.300 nan 0.000 0.543 440 Q N 6.609 125.880 119.800 -0.880 0.000 2.501 440 Q HA 0.259 4.599 4.340 0.000 0.000 0.288 440 Q C -2.009 173.547 176.000 -0.741 0.000 1.051 440 Q CA -1.762 53.636 55.803 -0.675 0.000 0.788 440 Q CB 1.377 29.617 28.738 -0.830 0.000 1.469 440 Q HN 0.223 nan 8.270 nan 0.000 0.416 441 P HA -0.194 nan 4.420 nan 0.000 0.216 441 P C 1.166 178.254 177.300 -0.353 0.000 1.150 441 P CA 2.005 64.941 63.100 -0.273 0.000 0.843 441 P CB 0.245 31.870 31.700 -0.125 0.000 0.787 442 S N -1.772 113.713 115.700 -0.359 0.000 2.562 442 S HA -0.071 4.399 4.470 0.000 0.000 0.221 442 S C 0.453 174.868 174.600 -0.309 0.000 0.975 442 S CA 0.001 58.064 58.200 -0.228 0.000 0.918 442 S CB -1.201 61.969 63.200 -0.049 0.000 0.772 442 S HN 0.417 nan 8.310 nan 0.000 0.531 443 H N -1.120 117.504 119.070 -0.744 0.000 2.596 443 H HA 0.460 5.016 4.556 0.000 0.000 0.240 443 H C -3.233 170.894 175.328 -2.001 0.000 1.406 443 H CA -1.789 53.404 56.048 -1.425 0.000 1.504 443 H CB 0.448 29.670 29.762 -0.901 0.000 1.688 443 H HN 0.066 nan 8.280 nan 0.000 0.546 444 P HA 0.075 nan 4.420 nan 0.000 0.226 444 P C -1.241 175.409 177.300 -1.083 0.000 1.783 444 P CA 0.199 62.185 63.100 -1.856 0.000 0.980 444 P CB -1.041 30.157 31.700 -0.837 0.000 1.967 445 W N -0.351 120.587 121.300 -0.604 0.000 3.167 445 W HA 0.513 5.173 4.660 0.000 0.000 0.324 445 W C -0.748 175.838 176.519 0.111 0.000 1.230 445 W CA -1.286 56.054 57.345 -0.009 0.000 1.184 445 W CB 0.060 29.547 29.460 0.045 0.000 1.414 445 W HN -0.006 nan 8.180 nan 0.000 0.551 446 H N 1.099 120.418 119.070 0.416 0.000 2.551 446 H HA 0.666 5.222 4.556 0.000 0.000 0.358 446 H C -0.117 175.344 175.328 0.221 0.000 1.151 446 H CA 0.600 56.792 56.048 0.240 0.000 1.374 446 H CB 1.388 31.234 29.762 0.140 0.000 1.473 446 H HN 0.572 nan 8.280 nan 0.000 0.574 447 T N 2.030 116.204 114.554 -0.632 0.000 2.893 447 T HA 0.491 4.841 4.350 0.000 0.000 0.293 447 T C -0.813 173.548 174.700 -0.565 0.000 1.027 447 T CA -1.116 60.638 62.100 -0.577 0.000 0.988 447 T CB 1.600 70.029 68.868 -0.731 0.000 1.043 447 T HN 0.669 nan 8.240 nan 0.000 0.461 448 Q N 1.958 121.630 119.800 -0.214 0.000 2.275 448 Q HA 0.534 4.875 4.340 0.000 0.000 0.266 448 Q C -1.176 174.692 176.000 -0.220 0.000 1.002 448 Q CA -0.572 55.030 55.803 -0.334 0.000 0.761 448 Q CB 2.430 30.850 28.738 -0.530 0.000 1.255 448 Q HN 0.721 nan 8.270 nan 0.000 0.446 449 I N 3.816 124.226 120.570 -0.268 0.000 2.464 449 I HA 0.391 4.561 4.170 0.000 0.000 0.277 449 I C -0.371 175.626 176.117 -0.199 0.000 1.040 449 I CA -0.343 60.688 61.300 -0.448 0.000 1.153 449 I CB 0.350 37.964 38.000 -0.643 0.000 1.274 449 I HN 0.750 nan 8.210 nan 0.000 0.469 450 H N 3.889 122.773 119.070 -0.311 0.000 2.917 450 H HA 0.648 5.204 4.556 0.000 0.000 0.269 450 H C -1.283 173.969 175.328 -0.126 0.000 1.488 450 H CA -1.351 54.586 56.048 -0.185 0.000 1.173 450 H CB 1.436 31.111 29.762 -0.146 0.000 1.868 450 H HN 0.143 nan 8.280 nan 0.000 0.600 451 R N 1.295 121.628 120.500 -0.278 0.000 2.575 451 R HA 0.273 4.613 4.340 0.000 0.000 0.293 451 R C -1.473 174.590 176.300 -0.394 0.000 0.983 451 R CA -0.571 55.344 56.100 -0.307 0.000 0.887 451 R CB 1.891 32.136 30.300 -0.092 0.000 1.184 451 R HN 0.921 nan 8.270 nan 0.000 0.445 452 D N 0.627 120.798 120.400 -0.381 0.000 2.687 452 D HA 0.461 5.101 4.640 0.000 0.000 0.264 452 D C -0.518 175.768 176.300 -0.023 0.000 1.091 452 D CA -0.810 53.070 54.000 -0.199 0.000 1.123 452 D CB 0.500 41.170 40.800 -0.216 0.000 1.407 452 D HN 0.376 nan 8.370 nan 0.000 0.591 453 A N -0.450 122.380 122.820 0.017 0.000 2.546 453 A HA 0.421 4.741 4.320 0.000 0.000 0.243 453 A C -0.837 176.817 177.584 0.116 0.000 1.063 453 A CA 0.078 52.174 52.037 0.097 0.000 0.757 453 A CB -0.715 18.371 19.000 0.144 0.000 0.991 453 A HN 0.471 nan 8.150 nan 0.000 0.503 454 F N 1.745 121.638 119.950 -0.095 0.000 2.608 454 F HA 0.464 4.991 4.527 0.000 0.000 0.309 454 F C 0.194 175.817 175.800 -0.295 0.000 1.103 454 F CA -0.306 57.525 58.000 -0.282 0.000 0.954 454 F CB 2.010 40.714 39.000 -0.492 0.000 1.267 454 F HN 0.409 nan 8.300 nan 0.000 0.444 455 S N 5.075 120.253 115.700 -0.869 0.000 2.642 455 S HA 0.347 4.817 4.470 0.000 0.000 0.309 455 S C -1.031 173.254 174.600 -0.525 0.000 1.125 455 S CA -0.231 57.648 58.200 -0.535 0.000 1.055 455 S CB -0.681 62.231 63.200 -0.480 0.000 1.157 455 S HN 0.448 nan 8.310 nan 0.000 0.513 456 Y N 2.687 123.022 120.300 0.058 0.000 2.377 456 Y HA 0.384 4.934 4.550 0.000 0.000 0.330 456 Y C 1.492 177.441 175.900 0.082 0.000 1.108 456 Y CA 0.262 58.484 58.100 0.203 0.000 1.308 456 Y CB 0.460 39.063 38.460 0.238 0.000 1.216 456 Y HN 0.675 nan 8.280 nan 0.000 0.518 457 G N 1.130 110.067 108.800 0.229 0.000 2.667 457 G HA2 0.274 4.234 3.960 0.000 0.000 0.250 457 G HA3 0.274 4.234 3.960 0.000 0.000 0.250 457 G C 0.915 175.900 174.900 0.141 0.000 1.212 457 G CA -0.099 45.083 45.100 0.137 0.000 0.874 457 G HN 0.896 nan 8.290 nan 0.000 0.561 458 A N -0.190 122.683 122.820 0.089 0.000 1.940 458 A HA -0.040 4.280 4.320 0.000 0.000 0.219 458 A C 2.507 180.133 177.584 0.071 0.000 1.176 458 A CA 2.047 54.126 52.037 0.070 0.000 0.631 458 A CB -0.513 18.515 19.000 0.047 0.000 0.814 458 A HN 0.544 nan 8.150 nan 0.000 0.446 459 V N -0.245 119.715 119.914 0.076 0.000 2.379 459 V HA -0.266 3.854 4.120 0.000 0.000 0.245 459 V C 2.567 178.708 176.094 0.079 0.000 1.044 459 V CA 2.030 64.370 62.300 0.067 0.000 1.036 459 V CB -0.881 30.979 31.823 0.062 0.000 0.664 459 V HN 0.634 nan 8.190 nan 0.000 0.453 460 Q N -0.263 119.615 119.800 0.130 0.000 2.124 460 Q HA -0.252 4.088 4.340 0.000 0.000 0.202 460 Q C 2.217 178.250 176.000 0.055 0.000 0.977 460 Q CA 1.426 57.322 55.803 0.154 0.000 0.850 460 Q CB -0.226 28.730 28.738 0.362 0.000 0.901 460 Q HN 0.682 nan 8.270 nan 0.000 0.429 461 Q N -0.109 119.733 119.800 0.070 0.000 2.439 461 Q HA -0.093 4.247 4.340 0.000 0.000 0.211 461 Q C 1.922 177.914 176.000 -0.014 0.000 0.978 461 Q CA 0.679 56.483 55.803 0.001 0.000 0.897 461 Q CB -0.048 28.719 28.738 0.048 0.000 0.956 461 Q HN 0.158 nan 8.270 nan 0.000 0.483 462 S N -0.077 115.627 115.700 0.006 0.000 2.447 462 S HA -0.030 4.440 4.470 0.000 0.000 0.233 462 S C 0.752 175.343 174.600 -0.014 0.000 1.006 462 S CA 0.249 58.450 58.200 0.002 0.000 0.957 462 S CB 0.232 63.441 63.200 0.014 0.000 0.773 462 S HN 0.150 nan 8.310 nan 0.000 0.507 463 I N 2.723 123.272 120.570 -0.035 0.000 2.331 463 I HA 0.261 4.431 4.170 0.000 0.000 0.292 463 I C 0.285 176.357 176.117 -0.076 0.000 0.998 463 I CA -0.938 60.335 61.300 -0.044 0.000 1.267 463 I CB 0.914 38.888 38.000 -0.044 0.000 1.386 463 I HN 0.144 nan 8.210 nan 0.000 0.476 464 D N 4.388 124.761 120.400 -0.044 0.000 2.531 464 D HA -0.051 4.589 4.640 0.000 0.000 0.239 464 D C 0.995 177.253 176.300 -0.071 0.000 1.144 464 D CA 0.253 54.230 54.000 -0.038 0.000 0.869 464 D CB 1.089 41.889 40.800 0.001 0.000 1.160 464 D HN 0.546 nan 8.370 nan 0.000 0.484 465 S N 4.463 120.108 115.700 -0.092 0.000 2.419 465 S HA -0.195 4.275 4.470 0.000 0.000 0.235 465 S C 1.741 176.308 174.600 -0.054 0.000 1.019 465 S CA 0.779 58.911 58.200 -0.114 0.000 0.982 465 S CB 0.009 63.157 63.200 -0.087 0.000 0.789 465 S HN 0.571 nan 8.310 nan 0.000 0.490 466 R N 0.808 121.292 120.500 -0.027 0.000 2.193 466 R HA 0.082 4.422 4.340 0.000 0.000 0.229 466 R C 1.699 177.980 176.300 -0.032 0.000 1.110 466 R CA 0.864 56.947 56.100 -0.029 0.000 0.988 466 R CB -0.488 29.786 30.300 -0.043 0.000 0.871 466 R HN 0.423 nan 8.270 nan 0.000 0.458 467 L N 0.345 121.551 121.223 -0.029 0.000 2.492 467 L HA 0.113 4.453 4.340 0.000 0.000 0.223 467 L C 0.669 177.538 176.870 -0.001 0.000 1.132 467 L CA 0.187 55.017 54.840 -0.016 0.000 0.850 467 L CB 0.054 42.103 42.059 -0.016 0.000 0.966 467 L HN 0.061 nan 8.230 nan 0.000 0.454 468 I N 0.217 120.781 120.570 -0.011 0.000 2.365 468 I HA 0.235 4.405 4.170 0.000 0.000 0.291 468 I C -0.545 175.589 176.117 0.029 0.000 1.004 468 I CA -0.371 60.937 61.300 0.013 0.000 1.311 468 I CB 1.715 39.705 38.000 -0.017 0.000 1.401 468 I HN -0.290 nan 8.210 nan 0.000 0.491 469 V N 4.836 124.791 119.914 0.068 0.000 2.656 469 V HA 0.320 4.440 4.120 0.000 0.000 0.307 469 V C -0.779 175.336 176.094 0.036 0.000 1.051 469 V CA -0.870 61.442 62.300 0.020 0.000 0.893 469 V CB 2.109 33.941 31.823 0.016 0.000 0.999 469 V HN 0.577 nan 8.190 nan 0.000 0.426 470 D N 2.640 122.991 120.400 -0.081 0.000 2.255 470 D HA 0.442 5.082 4.640 0.000 0.000 0.249 470 D C -0.992 175.254 176.300 -0.090 0.000 1.078 470 D CA 0.147 54.139 54.000 -0.014 0.000 0.896 470 D CB 1.213 42.004 40.800 -0.016 0.000 1.194 470 D HN 0.441 nan 8.370 nan 0.000 0.429 471 W N 1.513 122.798 121.300 -0.023 0.000 2.538 471 W HA 0.449 5.109 4.660 0.000 0.000 0.322 471 W C 0.196 176.758 176.519 0.070 0.000 1.028 471 W CA -0.862 56.504 57.345 0.034 0.000 1.228 471 W CB 1.255 30.623 29.460 -0.153 0.000 1.356 471 W HN -0.064 nan 8.180 nan 0.000 0.452 472 R N 2.988 123.721 120.500 0.388 0.000 2.483 472 R HA 0.491 4.831 4.340 0.000 0.000 0.303 472 R C -1.568 174.896 176.300 0.273 0.000 0.987 472 R CA -0.824 55.393 56.100 0.194 0.000 0.881 472 R CB 1.497 31.881 30.300 0.141 0.000 1.177 472 R HN 0.177 nan 8.270 nan 0.000 0.451 473 F N 3.204 123.018 119.950 -0.227 0.000 2.458 473 F HA 0.496 5.023 4.527 0.000 0.000 0.336 473 F C -0.379 175.333 175.800 -0.147 0.000 1.114 473 F CA -1.446 56.514 58.000 -0.067 0.000 0.987 473 F CB 1.086 40.003 39.000 -0.138 0.000 1.130 473 F HN 0.291 nan 8.300 nan 0.000 0.458 474 F N 1.431 121.551 119.950 0.284 0.000 2.449 474 F HA 0.659 5.186 4.527 0.000 0.000 0.342 474 F C 0.632 176.623 175.800 0.317 0.000 1.127 474 F CA -1.206 56.958 58.000 0.273 0.000 0.975 474 F CB 1.425 40.611 39.000 0.309 0.000 1.146 474 F HN 0.516 nan 8.300 nan 0.000 0.444 475 G N 2.104 111.142 108.800 0.395 0.000 2.437 475 G HA2 0.629 4.589 3.960 0.000 0.000 0.319 475 G HA3 0.629 4.589 3.960 0.000 0.000 0.319 475 G C -0.830 174.246 174.900 0.294 0.000 1.158 475 G CA -1.079 44.238 45.100 0.361 0.000 0.899 475 G HN 0.711 nan 8.290 nan 0.000 0.502 476 R N -0.637 120.038 120.500 0.291 0.000 2.428 476 R HA 0.648 4.988 4.340 0.000 0.000 0.294 476 R C -0.958 175.427 176.300 0.142 0.000 1.000 476 R CA -0.541 55.647 56.100 0.147 0.000 0.960 476 R CB 1.223 31.624 30.300 0.168 0.000 1.076 476 R HN 0.261 nan 8.270 nan 0.000 0.475 477 T N 1.976 116.577 114.554 0.079 0.000 2.792 477 T HA 0.119 4.469 4.350 0.000 0.000 0.280 477 T C -0.716 174.053 174.700 0.114 0.000 0.990 477 T CA -0.639 61.563 62.100 0.169 0.000 0.960 477 T CB 1.342 70.390 68.868 0.300 0.000 0.939 477 T HN 0.646 nan 8.240 nan 0.000 0.439 478 E N 4.727 125.002 120.200 0.126 0.000 2.417 478 E HA 0.068 4.418 4.350 0.000 0.000 0.261 478 E C -2.084 174.588 176.600 0.119 0.000 1.000 478 E CA -1.526 54.938 56.400 0.108 0.000 0.919 478 E CB 0.510 30.267 29.700 0.094 0.000 0.955 478 E HN 0.216 nan 8.360 nan 0.000 0.455 479 P HA 0.098 nan 4.420 nan 0.000 0.276 479 P C -1.210 176.236 177.300 0.243 0.000 1.243 479 P CA 0.084 63.314 63.100 0.216 0.000 0.768 479 P CB 0.691 32.542 31.700 0.252 0.000 0.856 480 K N 2.615 123.101 120.400 0.143 0.000 2.427 480 K HA 0.178 4.498 4.320 0.000 0.000 0.252 480 K C 0.948 177.371 176.600 -0.295 0.000 0.931 480 K CA -0.719 55.568 56.287 -0.000 0.000 0.793 480 K CB 2.354 34.818 32.500 -0.061 0.000 1.211 480 K HN 0.459 nan 8.250 nan 0.000 0.426 481 E N 2.163 122.022 120.200 -0.568 0.000 2.118 481 E HA -0.215 4.135 4.350 0.000 0.000 0.195 481 E C 1.000 177.332 176.600 -0.447 0.000 0.992 481 E CA 1.495 57.301 56.400 -0.991 0.000 0.804 481 E CB 0.470 29.811 29.700 -0.598 0.000 0.741 481 E HN 0.558 nan 8.360 nan 0.000 0.458 482 E N 0.362 120.410 120.200 -0.254 0.000 2.347 482 E HA -0.113 4.237 4.350 0.000 0.000 0.196 482 E C 0.001 176.533 176.600 -0.113 0.000 1.008 482 E CA 0.320 56.628 56.400 -0.153 0.000 0.852 482 E CB -0.267 29.361 29.700 -0.120 0.000 0.783 482 E HN 0.073 nan 8.360 nan 0.000 0.505 483 N N 2.059 120.682 118.700 -0.129 0.000 2.401 483 N HA 0.168 4.908 4.740 0.000 0.000 0.255 483 N C -0.765 174.797 175.510 0.086 0.000 1.110 483 N CA 0.142 53.167 53.050 -0.041 0.000 0.949 483 N CB 1.060 39.483 38.487 -0.106 0.000 1.110 483 N HN 0.120 nan 8.380 nan 0.000 0.490 484 K N 1.314 121.820 120.400 0.176 0.000 2.426 484 K HA 0.441 4.761 4.320 0.000 0.000 0.251 484 K C -1.104 175.651 176.600 0.258 0.000 0.941 484 K CA -0.945 55.468 56.287 0.211 0.000 0.808 484 K CB 2.452 35.082 32.500 0.216 0.000 1.265 484 K HN 0.163 nan 8.250 nan 0.000 0.432 485 L N 4.263 125.591 121.223 0.175 0.000 2.298 485 L HA 0.551 4.891 4.340 0.000 0.000 0.284 485 L C -1.226 175.593 176.870 -0.084 0.000 1.013 485 L CA -0.120 54.673 54.840 -0.078 0.000 0.824 485 L CB 0.478 42.505 42.059 -0.053 0.000 1.221 485 L HN 0.703 nan 8.230 nan 0.000 0.418 486 W N 3.799 124.825 121.300 -0.457 0.000 3.017 486 W HA 0.652 5.312 4.660 -0.000 0.000 0.341 486 W C -2.176 173.902 176.519 -0.735 0.000 1.180 486 W CA -1.240 55.885 57.345 -0.367 0.000 1.097 486 W CB 0.950 30.339 29.460 -0.117 0.000 1.468 486 W HN 0.335 nan 8.180 nan 0.000 0.584 487 F N 1.516 121.659 119.950 0.322 0.000 2.518 487 F HA 0.324 4.851 4.527 0.000 0.000 0.323 487 F C 0.759 176.721 175.800 0.270 0.000 1.129 487 F CA -0.929 57.137 58.000 0.111 0.000 0.920 487 F CB 2.086 41.132 39.000 0.078 0.000 1.160 487 F HN 0.267 nan 8.300 nan 0.000 0.440 488 S N 1.205 117.040 115.700 0.225 0.000 2.560 488 S HA 0.033 4.503 4.470 0.000 0.000 0.284 488 S C 0.808 175.555 174.600 0.246 0.000 1.327 488 S CA -0.423 57.943 58.200 0.277 0.000 1.055 488 S CB 0.340 63.609 63.200 0.115 0.000 0.868 488 S HN 0.702 nan 8.310 nan 0.000 0.506 489 D N 3.010 123.546 120.400 0.226 0.000 2.340 489 D HA 0.068 4.708 4.640 0.000 0.000 0.220 489 D C 1.046 177.409 176.300 0.106 0.000 1.039 489 D CA 0.427 54.514 54.000 0.145 0.000 0.866 489 D CB 0.106 40.975 40.800 0.115 0.000 0.913 489 D HN 0.590 nan 8.370 nan 0.000 0.523 490 K N -0.432 120.034 120.400 0.110 0.000 2.424 490 K HA 0.142 4.462 4.320 0.000 0.000 0.200 490 K C 0.138 176.780 176.600 0.071 0.000 1.279 490 K CA -0.232 56.103 56.287 0.080 0.000 0.918 490 K CB 0.645 33.192 32.500 0.078 0.000 1.287 490 K HN -0.105 nan 8.250 nan 0.000 0.502 491 I N 3.293 123.908 120.570 0.074 0.000 2.472 491 I HA 0.137 4.307 4.170 0.000 0.000 0.290 491 I C 0.405 176.557 176.117 0.058 0.000 1.016 491 I CA -0.082 61.250 61.300 0.053 0.000 1.348 491 I CB 1.025 39.044 38.000 0.032 0.000 1.417 491 I HN 0.325 nan 8.210 nan 0.000 0.521 492 T N 1.135 115.719 114.554 0.050 0.000 2.916 492 T HA 0.600 4.950 4.350 0.000 0.000 0.292 492 T C -0.390 174.344 174.700 0.056 0.000 1.055 492 T CA -0.910 61.226 62.100 0.060 0.000 1.009 492 T CB 2.379 71.278 68.868 0.052 0.000 1.118 492 T HN 0.541 nan 8.240 nan 0.000 0.497 493 D N 0.747 121.196 120.400 0.082 0.000 2.478 493 D HA 0.471 5.111 4.640 0.000 0.000 0.274 493 D C 1.733 178.066 176.300 0.055 0.000 1.234 493 D CA -0.353 53.700 54.000 0.088 0.000 1.069 493 D CB -0.080 40.810 40.800 0.151 0.000 1.113 493 D HN 0.661 nan 8.370 nan 0.000 0.571 494 A N -1.325 121.514 122.820 0.032 0.000 2.076 494 A HA -0.158 4.162 4.320 0.000 0.000 0.220 494 A C 1.290 178.685 177.584 -0.314 0.000 1.160 494 A CA 1.082 53.034 52.037 -0.142 0.000 0.653 494 A CB -1.015 17.861 19.000 -0.206 0.000 0.801 494 A HN 0.568 nan 8.150 nan 0.000 0.455 495 Y N -1.521 118.793 120.300 0.023 0.000 2.658 495 Y HA 0.248 4.798 4.550 0.000 0.000 0.276 495 Y C 0.746 176.663 175.900 0.028 0.000 1.167 495 Y CA -0.165 57.952 58.100 0.027 0.000 1.230 495 Y CB -0.250 38.210 38.460 -0.000 0.000 1.144 495 Y HN 0.440 nan 8.280 nan 0.000 0.529 496 N N -0.151 118.610 118.700 0.103 0.000 2.741 496 N HA -0.174 4.566 4.740 0.000 0.000 0.250 496 N C -0.678 174.875 175.510 0.071 0.000 1.115 496 N CA 0.605 53.695 53.050 0.067 0.000 0.724 496 N CB -0.466 38.044 38.487 0.038 0.000 1.090 496 N HN 0.144 nan 8.380 nan 0.000 0.558 497 M N -0.261 119.396 119.600 0.096 0.000 2.598 497 M HA 0.422 4.902 4.480 0.000 0.000 0.317 497 M C -2.127 174.230 176.300 0.094 0.000 1.201 497 M CA -1.995 53.348 55.300 0.071 0.000 0.971 497 M CB 0.615 33.249 32.600 0.058 0.000 1.657 497 M HN -0.261 nan 8.290 nan 0.000 0.470 498 P HA -0.017 nan 4.420 nan 0.000 0.262 498 P C -0.590 176.867 177.300 0.261 0.000 1.182 498 P CA 0.092 63.288 63.100 0.160 0.000 0.761 498 P CB 0.220 32.020 31.700 0.167 0.000 0.795 499 Q N 6.966 126.862 119.800 0.160 0.000 2.271 499 Q HA 0.137 4.477 4.340 0.000 0.000 0.273 499 Q C -2.235 173.729 176.000 -0.060 0.000 1.051 499 Q CA -1.833 54.009 55.803 0.066 0.000 0.901 499 Q CB -0.302 28.427 28.738 -0.016 0.000 1.174 499 Q HN 0.291 nan 8.270 nan 0.000 0.385 500 P HA 0.098 nan 4.420 nan 0.000 0.271 500 P C -1.060 175.753 177.300 -0.812 0.000 1.216 500 P CA -0.085 62.608 63.100 -0.677 0.000 0.776 500 P CB 0.978 32.388 31.700 -0.484 0.000 0.881 501 T N 3.101 116.943 114.554 -1.187 0.000 2.921 501 T HA 0.495 4.845 4.350 0.000 0.000 0.297 501 T C -0.548 173.473 174.700 -1.133 0.000 1.013 501 T CA -0.127 61.280 62.100 -1.155 0.000 0.990 501 T CB 0.448 68.324 68.868 -1.654 0.000 1.023 501 T HN 0.042 nan 8.240 nan 0.000 0.447 502 F N 1.914 121.598 119.950 -0.444 0.000 2.397 502 F HA 0.548 5.075 4.527 0.000 0.000 0.331 502 F C 0.705 176.462 175.800 -0.073 0.000 1.090 502 F CA -0.925 56.938 58.000 -0.227 0.000 1.065 502 F CB 1.054 39.968 39.000 -0.142 0.000 1.184 502 F HN 0.398 nan 8.300 nan 0.000 0.499 503 D N 2.888 123.463 120.400 0.292 0.000 2.375 503 D HA 0.217 4.857 4.640 0.000 0.000 0.259 503 D C -1.821 174.610 176.300 0.218 0.000 1.235 503 D CA -0.105 54.047 54.000 0.252 0.000 0.924 503 D CB 0.313 41.291 40.800 0.297 0.000 1.143 503 D HN 0.277 nan 8.370 nan 0.000 0.529 504 F N 3.261 123.207 119.950 -0.007 0.000 2.561 504 F HA 0.596 5.123 4.527 0.000 0.000 0.313 504 F C -1.214 174.483 175.800 -0.171 0.000 1.126 504 F CA -0.577 57.351 58.000 -0.119 0.000 0.918 504 F CB 1.351 40.217 39.000 -0.222 0.000 1.199 504 F HN 0.010 nan 8.300 nan 0.000 0.444 505 R N 4.493 124.464 120.500 -0.882 0.000 2.725 505 R HA 0.354 4.694 4.340 0.000 0.000 0.277 505 R C -1.621 174.059 176.300 -1.034 0.000 0.987 505 R CA -0.960 54.753 56.100 -0.645 0.000 0.901 505 R CB 1.693 31.824 30.300 -0.282 0.000 1.207 505 R HN 0.588 nan 8.270 nan 0.000 0.463 506 F N 2.962 122.695 119.950 -0.360 0.000 2.578 506 F HA 0.165 4.692 4.527 0.000 0.000 0.381 506 F C -1.292 174.387 175.800 -0.202 0.000 1.069 506 F CA -1.050 56.826 58.000 -0.206 0.000 1.231 506 F CB -0.112 38.894 39.000 0.011 0.000 1.086 506 F HN 0.138 nan 8.300 nan 0.000 0.564 507 P HA 0.100 nan 4.420 nan 0.000 0.266 507 P C -0.579 176.735 177.300 0.023 0.000 1.195 507 P CA -0.131 62.951 63.100 -0.031 0.000 0.768 507 P CB 0.541 32.235 31.700 -0.009 0.000 0.838 508 A N 2.908 125.727 122.820 -0.002 0.000 2.448 508 A HA 0.518 4.838 4.320 0.000 0.000 0.239 508 A C 1.128 178.725 177.584 0.022 0.000 1.080 508 A CA 0.904 52.946 52.037 0.008 0.000 0.779 508 A CB -1.009 17.988 19.000 -0.005 0.000 1.026 508 A HN 0.837 nan 8.150 nan 0.000 0.499 509 G N 0.133 108.948 108.800 0.025 0.000 2.481 509 G HA2 -0.236 3.724 3.960 0.000 0.000 0.230 509 G HA3 -0.236 3.724 3.960 0.000 0.000 0.230 509 G C 0.990 175.920 174.900 0.049 0.000 1.210 509 G CA 0.705 45.826 45.100 0.035 0.000 0.936 509 G HN 1.044 nan 8.290 nan 0.000 0.583 510 R N -0.167 120.369 120.500 0.060 0.000 2.103 510 R HA -0.111 4.229 4.340 0.000 0.000 0.242 510 R C 2.801 179.160 176.300 0.097 0.000 1.142 510 R CA 2.877 59.023 56.100 0.078 0.000 0.960 510 R CB -0.965 29.384 30.300 0.081 0.000 0.858 510 R HN 0.644 nan 8.270 nan 0.000 0.439 511 T N 0.059 114.673 114.554 0.100 0.000 2.665 511 T HA -0.134 4.216 4.350 0.000 0.000 0.268 511 T C 1.957 176.711 174.700 0.091 0.000 1.035 511 T CA 1.908 64.082 62.100 0.124 0.000 1.151 511 T CB -0.227 68.734 68.868 0.155 0.000 0.862 511 T HN 0.286 nan 8.240 nan 0.000 0.438 512 S N 0.544 116.281 115.700 0.061 0.000 2.371 512 S HA -0.029 4.441 4.470 0.000 0.000 0.224 512 S C 2.033 176.642 174.600 0.015 0.000 1.029 512 S CA 0.981 59.187 58.200 0.010 0.000 0.978 512 S CB -0.197 63.005 63.200 0.003 0.000 0.833 512 S HN 0.517 nan 8.310 nan 0.000 0.466 513 K N 1.392 121.819 120.400 0.044 0.000 2.026 513 K HA -0.129 4.191 4.320 0.000 0.000 0.208 513 K C 1.872 178.527 176.600 0.092 0.000 1.048 513 K CA 1.469 57.790 56.287 0.057 0.000 0.929 513 K CB -0.140 32.398 32.500 0.063 0.000 0.713 513 K HN 0.348 nan 8.250 nan 0.000 0.439 514 E N 0.014 120.295 120.200 0.135 0.000 2.110 514 E HA -0.172 4.178 4.350 0.000 0.000 0.193 514 E C 1.976 178.664 176.600 0.146 0.000 0.988 514 E CA 0.922 57.459 56.400 0.229 0.000 0.804 514 E CB -0.105 29.768 29.700 0.289 0.000 0.745 514 E HN 0.462 nan 8.360 nan 0.000 0.458 515 A N 1.391 124.267 122.820 0.095 0.000 1.908 515 A HA -0.263 4.057 4.320 0.000 0.000 0.218 515 A C 2.088 179.748 177.584 0.126 0.000 1.181 515 A CA 1.884 53.974 52.037 0.088 0.000 0.627 515 A CB -0.379 18.626 19.000 0.009 0.000 0.818 515 A HN 0.152 nan 8.150 nan 0.000 0.445 516 E N 0.360 120.611 120.200 0.085 0.000 2.107 516 E HA -0.131 4.219 4.350 0.000 0.000 0.191 516 E C 1.330 177.912 176.600 -0.030 0.000 0.982 516 E CA 1.396 57.846 56.400 0.082 0.000 0.809 516 E CB -0.294 29.428 29.700 0.037 0.000 0.756 516 E HN 0.504 nan 8.360 nan 0.000 0.459 517 D N 0.057 120.435 120.400 -0.037 0.000 2.149 517 D HA -0.198 4.442 4.640 0.000 0.000 0.198 517 D C 1.894 177.931 176.300 -0.438 0.000 0.990 517 D CA 1.221 55.177 54.000 -0.074 0.000 0.839 517 D CB -0.320 40.562 40.800 0.138 0.000 0.948 517 D HN 0.323 nan 8.370 nan 0.000 0.460 518 M N -0.308 118.836 119.600 -0.760 0.000 2.117 518 M HA -0.204 4.276 4.480 0.000 0.000 0.262 518 M C 2.050 177.939 176.300 -0.686 0.000 1.065 518 M CA 1.229 55.769 55.300 -1.267 0.000 1.114 518 M CB 0.005 32.076 32.600 -0.881 0.000 1.361 518 M HN -0.029 nan 8.290 nan 0.000 0.408 519 M N 0.352 119.673 119.600 -0.464 0.000 2.080 519 M HA -0.157 4.323 4.480 0.000 0.000 0.260 519 M C 1.803 177.891 176.300 -0.353 0.000 1.068 519 M CA 2.406 57.434 55.300 -0.453 0.000 1.109 519 M CB -1.026 31.377 32.600 -0.328 0.000 1.342 519 M HN 0.259 nan 8.290 nan 0.000 0.405 520 T N -0.004 114.408 114.554 -0.236 0.000 2.788 520 T HA -0.163 4.187 4.350 0.000 0.000 0.268 520 T C 1.491 176.115 174.700 -0.127 0.000 1.044 520 T CA 1.769 63.783 62.100 -0.144 0.000 1.139 520 T CB -0.603 68.225 68.868 -0.066 0.000 0.867 520 T HN 0.517 nan 8.240 nan 0.000 0.454 521 D N 0.575 120.889 120.400 -0.143 0.000 2.117 521 D HA -0.066 4.574 4.640 0.000 0.000 0.197 521 D C 2.050 178.329 176.300 -0.034 0.000 0.987 521 D CA 0.884 54.910 54.000 0.043 0.000 0.829 521 D CB -0.221 40.703 40.800 0.206 0.000 0.961 521 D HN 0.284 nan 8.370 nan 0.000 0.460 522 M N -0.509 118.825 119.600 -0.444 0.000 2.117 522 M HA -0.169 4.311 4.480 0.000 0.000 0.262 522 M C 1.954 177.941 176.300 -0.522 0.000 1.065 522 M CA 1.288 56.044 55.300 -0.907 0.000 1.114 522 M CB -0.136 31.680 32.600 -1.307 0.000 1.361 522 M HN 0.196 nan 8.290 nan 0.000 0.408 523 C N -0.327 118.776 119.300 -0.329 0.000 2.432 523 C HA -0.120 4.340 4.460 0.000 0.000 0.277 523 C C 2.665 177.558 174.990 -0.162 0.000 1.249 523 C CA 0.943 59.877 59.018 -0.141 0.000 1.725 523 C CB -1.028 26.678 27.740 -0.056 0.000 2.028 523 C HN 0.499 nan 8.230 nan 0.000 0.477 524 V N 0.562 120.412 119.914 -0.106 0.000 2.307 524 V HA -0.291 3.829 4.120 0.000 0.000 0.245 524 V C 2.389 178.464 176.094 -0.032 0.000 1.045 524 V CA 2.293 64.565 62.300 -0.047 0.000 1.024 524 V CB -0.681 31.166 31.823 0.040 0.000 0.651 524 V HN 0.588 nan 8.190 nan 0.000 0.449 525 M N 0.749 120.367 119.600 0.029 0.000 2.156 525 M HA -0.146 4.334 4.480 0.000 0.000 0.264 525 M C 2.475 178.670 176.300 -0.175 0.000 1.067 525 M CA 2.165 57.563 55.300 0.165 0.000 1.131 525 M CB -0.175 32.677 32.600 0.419 0.000 1.368 525 M HN 0.560 nan 8.290 nan 0.000 0.416 526 S N 0.590 115.874 115.700 -0.695 0.000 2.399 526 S HA -0.073 4.397 4.470 0.000 0.000 0.231 526 S C 1.980 176.212 174.600 -0.613 0.000 1.022 526 S CA 1.022 58.423 58.200 -1.332 0.000 0.983 526 S CB -0.860 61.331 63.200 -1.682 0.000 0.803 526 S HN 0.567 nan 8.310 nan 0.000 0.480 527 A N 1.996 124.555 122.820 -0.434 0.000 2.070 527 A HA -0.018 4.302 4.320 0.000 0.000 0.220 527 A C 2.155 179.622 177.584 -0.196 0.000 1.159 527 A CA 1.392 53.224 52.037 -0.342 0.000 0.656 527 A CB -0.535 18.286 19.000 -0.298 0.000 0.800 527 A HN 0.653 nan 8.150 nan 0.000 0.453 528 K N -0.663 119.668 120.400 -0.115 0.000 2.365 528 K HA 0.060 4.380 4.320 0.000 0.000 0.199 528 K C 1.174 177.776 176.600 0.004 0.000 1.045 528 K CA 0.679 56.944 56.287 -0.037 0.000 0.962 528 K CB 0.030 32.545 32.500 0.026 0.000 0.759 528 K HN 0.399 nan 8.250 nan 0.000 0.469 529 I N -0.577 120.012 120.570 0.032 0.000 2.810 529 I HA 0.150 4.320 4.170 0.000 0.000 0.262 529 I C 1.144 177.281 176.117 0.033 0.000 1.131 529 I CA 0.629 61.994 61.300 0.108 0.000 1.453 529 I CB -0.191 38.015 38.000 0.343 0.000 1.161 529 I HN 0.113 nan 8.210 nan 0.000 0.444 530 G N -0.683 108.086 108.800 -0.052 0.000 2.349 530 G HA2 0.460 4.420 3.960 0.000 0.000 0.294 530 G HA3 0.460 4.420 3.960 0.000 0.000 0.294 530 G C -0.657 174.105 174.900 -0.229 0.000 1.380 530 G CA -0.170 44.872 45.100 -0.097 0.000 0.811 530 G HN 0.293 nan 8.290 nan 0.000 0.519 531 G N -1.095 107.565 108.800 -0.232 0.000 2.572 531 G HA2 0.542 4.502 3.960 0.000 0.000 0.261 531 G HA3 0.542 4.502 3.960 0.000 0.000 0.261 531 G C -0.196 174.530 174.900 -0.290 0.000 1.197 531 G CA -0.493 44.379 45.100 -0.380 0.000 0.870 531 G HN 0.452 nan 8.290 nan 0.000 0.548 532 F N -0.727 119.130 119.950 -0.155 0.000 2.553 532 F HA 0.173 4.700 4.527 0.000 0.000 0.356 532 F C 0.725 176.466 175.800 -0.097 0.000 1.142 532 F CA -0.705 57.198 58.000 -0.162 0.000 1.322 532 F CB 0.543 39.438 39.000 -0.175 0.000 1.126 532 F HN 0.175 nan 8.300 nan 0.000 0.599 533 L N 5.936 127.229 121.223 0.118 0.000 2.315 533 L HA 0.429 4.769 4.340 0.000 0.000 0.283 533 L C -2.415 174.503 176.870 0.079 0.000 1.089 533 L CA -2.000 52.886 54.840 0.076 0.000 0.833 533 L CB 0.110 42.210 42.059 0.069 0.000 1.170 533 L HN 0.270 nan 8.230 nan 0.000 0.442 534 P HA 0.168 nan 4.420 nan 0.000 0.264 534 P C 0.670 178.022 177.300 0.087 0.000 1.183 534 P CA 1.085 64.226 63.100 0.068 0.000 0.763 534 P CB 0.594 32.328 31.700 0.058 0.000 0.807 535 G N 1.898 110.743 108.800 0.075 0.000 2.199 535 G HA2 -0.240 3.720 3.960 0.000 0.000 0.254 535 G HA3 -0.240 3.720 3.960 0.000 0.000 0.254 535 G C 0.475 175.463 174.900 0.146 0.000 0.982 535 G CA 0.262 45.427 45.100 0.108 0.000 0.632 535 G HN 0.536 nan 8.290 nan 0.000 0.529 536 S N 0.515 116.272 115.700 0.095 0.000 2.665 536 S HA 0.486 4.956 4.470 0.000 0.000 0.235 536 S C 0.418 174.925 174.600 -0.154 0.000 1.084 536 S CA -0.563 57.679 58.200 0.071 0.000 1.151 536 S CB 0.262 63.488 63.200 0.044 0.000 1.151 536 S HN 0.466 nan 8.310 nan 0.000 0.461 537 L N 2.583 123.711 121.223 -0.160 0.000 2.453 537 L HA 0.368 4.708 4.340 0.000 0.000 0.261 537 L C -2.027 174.548 176.870 -0.491 0.000 1.179 537 L CA -2.201 52.410 54.840 -0.382 0.000 0.813 537 L CB -0.022 41.883 42.059 -0.257 0.000 1.110 537 L HN 0.075 nan 8.230 nan 0.000 0.466 538 P HA 0.003 nan 4.420 nan 0.000 0.264 538 P C -1.444 175.628 177.300 -0.380 0.000 1.193 538 P CA 0.107 62.823 63.100 -0.640 0.000 0.763 538 P CB 0.477 31.707 31.700 -0.783 0.000 0.810 539 Q N 1.695 121.314 119.800 -0.303 0.000 2.426 539 Q HA 0.464 4.804 4.340 0.000 0.000 0.278 539 Q C -1.410 174.451 176.000 -0.232 0.000 1.007 539 Q CA -0.882 54.826 55.803 -0.158 0.000 0.850 539 Q CB 0.685 29.406 28.738 -0.027 0.000 1.427 539 Q HN 0.093 nan 8.270 nan 0.000 0.391 540 F N 1.785 121.685 119.950 -0.085 0.000 2.443 540 F HA 0.256 4.783 4.527 0.000 0.000 0.353 540 F C 0.551 176.328 175.800 -0.039 0.000 1.101 540 F CA -0.200 57.754 58.000 -0.078 0.000 1.226 540 F CB 0.829 39.772 39.000 -0.095 0.000 1.140 540 F HN 0.399 nan 8.300 nan 0.000 0.557 541 M N 1.997 121.661 119.600 0.107 0.000 2.255 541 M HA 0.130 4.611 4.480 0.000 0.000 0.336 541 M C 0.273 176.629 176.300 0.094 0.000 1.135 541 M CA -0.559 54.777 55.300 0.060 0.000 1.145 541 M CB 0.513 33.111 32.600 -0.003 0.000 1.473 541 M HN 0.578 nan 8.290 nan 0.000 0.462 542 E N 3.143 123.373 120.200 0.050 0.000 2.708 542 E HA -0.039 4.311 4.350 0.000 0.000 0.260 542 E C -2.117 174.516 176.600 0.054 0.000 0.937 542 E CA -1.066 55.359 56.400 0.042 0.000 0.953 542 E CB 0.339 30.038 29.700 -0.001 0.000 0.915 542 E HN 0.215 nan 8.360 nan 0.000 0.487 543 P HA 0.030 nan 4.420 nan 0.000 0.262 543 P C 0.280 177.514 177.300 -0.111 0.000 1.199 543 P CA 1.039 64.180 63.100 0.068 0.000 0.763 543 P CB 0.621 32.342 31.700 0.036 0.000 0.790 544 G N 2.651 111.390 108.800 -0.103 0.000 2.195 544 G HA2 -0.319 3.641 3.960 0.000 0.000 0.246 544 G HA3 -0.319 3.641 3.960 0.000 0.000 0.246 544 G C 0.746 175.611 174.900 -0.058 0.000 0.984 544 G CA 0.147 45.149 45.100 -0.164 0.000 0.633 544 G HN 0.515 nan 8.290 nan 0.000 0.525 545 L N 0.907 122.118 121.223 -0.020 0.000 2.127 545 L HA 0.109 4.449 4.340 0.000 0.000 0.211 545 L C 2.821 179.719 176.870 0.047 0.000 1.089 545 L CA 2.490 57.329 54.840 -0.001 0.000 0.757 545 L CB -0.360 41.689 42.059 -0.016 0.000 0.899 545 L HN 0.466 nan 8.230 nan 0.000 0.434 546 V N -0.319 119.645 119.914 0.085 0.000 2.759 546 V HA -0.152 3.968 4.120 0.000 0.000 0.256 546 V C 1.536 177.751 176.094 0.202 0.000 1.080 546 V CA 1.053 63.461 62.300 0.180 0.000 1.101 546 V CB -0.292 31.672 31.823 0.236 0.000 0.698 546 V HN 0.482 nan 8.190 nan 0.000 0.477 547 L N 0.566 121.866 121.223 0.128 0.000 3.634 547 L HA -0.189 4.151 4.340 0.000 0.000 0.423 547 L C 0.038 177.009 176.870 0.168 0.000 1.253 547 L CA 0.564 55.481 54.840 0.128 0.000 0.885 547 L CB -1.943 40.208 42.059 0.153 0.000 1.789 547 L HN 0.459 nan 8.230 nan 0.000 0.904 548 N N 0.627 119.434 118.700 0.177 0.000 2.480 548 N HA 0.271 5.011 4.740 0.000 0.000 0.281 548 N C -0.197 175.450 175.510 0.228 0.000 1.381 548 N CA -0.376 52.821 53.050 0.245 0.000 0.903 548 N CB 0.648 39.330 38.487 0.325 0.000 1.274 548 N HN 0.212 nan 8.380 nan 0.000 0.505 549 L N 1.024 122.326 121.223 0.131 0.000 2.499 549 L HA 0.412 4.752 4.340 0.000 0.000 0.273 549 L C 0.722 177.698 176.870 0.177 0.000 1.195 549 L CA 0.476 55.368 54.840 0.087 0.000 0.882 549 L CB 0.177 42.260 42.059 0.040 0.000 1.133 549 L HN 0.222 nan 8.230 nan 0.000 0.483 550 G N 1.866 110.786 108.800 0.200 0.000 2.733 550 G HA2 0.529 4.489 3.960 0.000 0.000 0.288 550 G HA3 0.529 4.489 3.960 0.000 0.000 0.288 550 G C 0.288 175.282 174.900 0.157 0.000 1.373 550 G CA -0.302 44.947 45.100 0.249 0.000 0.895 550 G HN 1.295 nan 8.290 nan 0.000 0.479 551 G N -1.126 107.740 108.800 0.110 0.000 2.155 551 G HA2 -0.236 3.724 3.960 0.000 0.000 0.257 551 G HA3 -0.236 3.724 3.960 0.000 0.000 0.257 551 G C 1.284 176.240 174.900 0.092 0.000 0.983 551 G CA 1.646 46.812 45.100 0.111 0.000 0.676 551 G HN 1.866 nan 8.290 nan 0.000 0.528 552 T N -2.268 112.289 114.554 0.005 0.000 2.995 552 T HA 0.147 4.497 4.350 0.000 0.000 0.269 552 T C 1.068 175.838 174.700 0.117 0.000 1.091 552 T CA 1.764 63.908 62.100 0.073 0.000 1.128 552 T CB -0.234 68.688 68.868 0.089 0.000 0.891 552 T HN 1.441 nan 8.240 nan 0.000 0.492 553 H N -0.041 119.100 119.070 0.118 0.000 2.597 553 H HA 0.461 5.017 4.556 0.000 0.000 0.225 553 H C -0.101 175.265 175.328 0.063 0.000 1.422 553 H CA -1.348 54.744 56.048 0.073 0.000 1.335 553 H CB -0.346 29.424 29.762 0.013 0.000 1.783 553 H HN 0.338 nan 8.280 nan 0.000 0.513 554 R N 0.704 121.284 120.500 0.134 0.000 2.641 554 R HA 0.271 4.611 4.340 0.000 0.000 0.269 554 R C -0.339 176.019 176.300 0.097 0.000 1.074 554 R CA -0.669 55.485 56.100 0.090 0.000 1.133 554 R CB 0.948 31.294 30.300 0.077 0.000 1.029 554 R HN 0.476 nan 8.270 nan 0.000 0.488 555 M N 1.669 121.304 119.600 0.058 0.000 2.249 555 M HA 0.415 4.895 4.480 0.000 0.000 0.351 555 M C -0.504 175.793 176.300 -0.005 0.000 1.180 555 M CA 0.239 55.547 55.300 0.013 0.000 1.127 555 M CB 1.468 34.051 32.600 -0.027 0.000 1.546 555 M HN 0.952 nan 8.290 nan 0.000 0.461 556 G N 2.308 111.116 108.800 0.013 0.000 2.606 556 G HA2 0.435 4.395 3.960 0.000 0.000 0.300 556 G HA3 0.435 4.395 3.960 0.000 0.000 0.300 556 G C -0.855 174.022 174.900 -0.038 0.000 1.360 556 G CA -0.656 44.404 45.100 -0.067 0.000 0.783 556 G HN 0.676 nan 8.290 nan 0.000 0.484 557 F N -0.037 120.012 119.950 0.165 0.000 2.149 557 F HA 0.242 4.769 4.527 0.000 0.000 0.294 557 F C 1.118 177.029 175.800 0.185 0.000 1.095 557 F CA 1.145 59.243 58.000 0.163 0.000 1.276 557 F CB 0.306 39.361 39.000 0.092 0.000 1.023 557 F HN 0.351 nan 8.300 nan 0.000 0.480 558 D N -0.831 119.711 120.400 0.237 0.000 2.502 558 D HA 0.128 4.768 4.640 0.000 0.000 0.249 558 D C 0.775 176.906 176.300 -0.281 0.000 1.092 558 D CA -0.227 53.752 54.000 -0.036 0.000 0.839 558 D CB 1.340 42.142 40.800 0.004 0.000 1.264 558 D HN 0.124 nan 8.370 nan 0.000 0.511 559 E N 3.290 122.985 120.200 -0.842 0.000 2.070 559 E HA -0.284 4.066 4.350 0.000 0.000 0.197 559 E C 1.345 177.772 176.600 -0.289 0.000 1.004 559 E CA 1.291 57.197 56.400 -0.823 0.000 0.805 559 E CB 0.258 29.338 29.700 -1.032 0.000 0.744 559 E HN 0.459 nan 8.360 nan 0.000 0.451 560 K N 0.111 120.383 120.400 -0.213 0.000 2.067 560 K HA -0.107 4.213 4.320 0.000 0.000 0.203 560 K C 1.982 178.549 176.600 -0.055 0.000 1.048 560 K CA 1.215 57.445 56.287 -0.095 0.000 0.954 560 K CB 0.056 32.513 32.500 -0.072 0.000 0.737 560 K HN 0.038 nan 8.250 nan 0.000 0.444 561 E N 0.388 120.558 120.200 -0.049 0.000 2.150 561 E HA -0.122 4.228 4.350 0.000 0.000 0.193 561 E C 0.618 177.214 176.600 -0.007 0.000 0.985 561 E CA 1.114 57.506 56.400 -0.012 0.000 0.814 561 E CB 0.235 29.940 29.700 0.007 0.000 0.752 561 E HN 0.337 nan 8.360 nan 0.000 0.466 562 D N -0.105 120.284 120.400 -0.018 0.000 2.395 562 D HA 0.064 4.704 4.640 0.000 0.000 0.213 562 D C -0.697 175.538 176.300 -0.108 0.000 1.110 562 D CA -0.033 53.953 54.000 -0.024 0.000 0.835 562 D CB 0.145 40.972 40.800 0.045 0.000 0.965 562 D HN 0.068 nan 8.370 nan 0.000 0.505 563 N N 0.772 119.405 118.700 -0.111 0.000 2.642 563 N HA -0.188 4.552 4.740 0.000 0.000 0.269 563 N C -0.316 175.116 175.510 -0.130 0.000 1.073 563 N CA 0.577 53.537 53.050 -0.149 0.000 0.748 563 N CB -1.307 36.956 38.487 -0.373 0.000 0.894 563 N HN 0.415 nan 8.380 nan 0.000 0.548 564 C N -3.047 116.258 119.300 0.007 0.000 3.285 564 C HA 0.784 5.244 4.460 0.000 0.000 0.320 564 C C 1.303 176.474 174.990 0.303 0.000 1.411 564 C CA -0.654 58.444 59.018 0.134 0.000 1.429 564 C CB 1.568 29.406 27.740 0.164 0.000 1.812 564 C HN 0.511 nan 8.230 nan 0.000 0.454 565 C N 0.241 119.741 119.300 0.333 0.000 2.937 565 C HA 0.481 4.941 4.460 0.000 0.000 0.426 565 C C 0.726 175.774 174.990 0.096 0.000 1.321 565 C CA 0.662 59.857 59.018 0.295 0.000 2.082 565 C CB -0.275 27.565 27.740 0.166 0.000 2.834 565 C HN 0.975 nan 8.230 nan 0.000 0.593 566 V N 1.588 121.455 119.914 -0.080 0.000 2.960 566 V HA 0.717 4.837 4.120 0.000 0.000 0.315 566 V C -0.670 175.061 176.094 -0.605 0.000 1.087 566 V CA -0.609 61.410 62.300 -0.468 0.000 0.982 566 V CB 1.484 33.171 31.823 -0.227 0.000 1.039 566 V HN 0.445 nan 8.190 nan 0.000 0.437 567 N N 0.857 119.055 118.700 -0.836 0.000 2.431 567 N HA 0.254 4.994 4.740 0.000 0.000 0.289 567 N C 1.042 176.407 175.510 -0.241 0.000 1.277 567 N CA 0.214 53.009 53.050 -0.425 0.000 0.972 567 N CB -0.091 38.185 38.487 -0.352 0.000 1.143 567 N HN 0.917 nan 8.380 nan 0.000 0.578 568 T N -4.670 109.782 114.554 -0.171 0.000 3.113 568 T HA -0.002 4.348 4.350 0.000 0.000 0.263 568 T C 0.137 174.754 174.700 -0.139 0.000 1.143 568 T CA 0.651 62.649 62.100 -0.170 0.000 1.090 568 T CB -0.406 68.369 68.868 -0.154 0.000 0.922 568 T HN 0.444 nan 8.240 nan 0.000 0.521 569 D N 1.086 121.400 120.400 -0.144 0.000 2.328 569 D HA 0.170 4.810 4.640 0.000 0.000 0.221 569 D C 0.600 176.895 176.300 -0.010 0.000 1.072 569 D CA 0.154 54.083 54.000 -0.118 0.000 0.850 569 D CB 0.072 40.687 40.800 -0.308 0.000 0.922 569 D HN 0.343 nan 8.370 nan 0.000 0.516 570 S N 0.178 115.845 115.700 -0.054 0.000 3.490 570 S HA -0.252 4.218 4.470 0.000 0.000 0.301 570 S C 0.534 175.133 174.600 -0.002 0.000 1.233 570 S CA 0.446 58.650 58.200 0.008 0.000 0.914 570 S CB -1.335 61.939 63.200 0.123 0.000 1.047 570 S HN 0.470 nan 8.310 nan 0.000 0.602 571 R N 1.178 121.566 120.500 -0.187 0.000 2.297 571 R HA 0.476 4.816 4.340 0.000 0.000 0.308 571 R C -0.041 175.945 176.300 -0.524 0.000 1.029 571 R CA -0.422 55.373 56.100 -0.507 0.000 0.929 571 R CB 0.692 30.663 30.300 -0.548 0.000 1.046 571 R HN 0.131 nan 8.270 nan 0.000 0.461 572 V N 6.121 125.749 119.914 -0.477 0.000 2.529 572 V HA 0.007 4.127 4.120 0.000 0.000 0.292 572 V C 0.142 176.142 176.094 -0.158 0.000 1.028 572 V CA 0.225 62.320 62.300 -0.342 0.000 1.074 572 V CB -0.103 31.500 31.823 -0.368 0.000 0.958 572 V HN 0.561 nan 8.190 nan 0.000 0.481 573 F N 3.771 123.748 119.950 0.046 0.000 2.608 573 F HA 0.402 4.929 4.527 0.000 0.000 0.380 573 F C 1.583 177.500 175.800 0.194 0.000 1.083 573 F CA 1.407 59.461 58.000 0.091 0.000 1.266 573 F CB -0.064 38.985 39.000 0.082 0.000 1.076 573 F HN 0.790 nan 8.300 nan 0.000 0.574 574 G N 2.179 111.154 108.800 0.291 0.000 2.253 574 G HA2 -0.307 3.653 3.960 0.000 0.000 0.251 574 G HA3 -0.307 3.653 3.960 0.000 0.000 0.251 574 G C -0.098 174.741 174.900 -0.101 0.000 0.998 574 G CA -0.429 44.736 45.100 0.109 0.000 0.621 574 G HN 0.440 nan 8.290 nan 0.000 0.524 575 F N 1.087 121.052 119.950 0.025 0.000 2.411 575 F HA 0.589 5.116 4.527 0.000 0.000 0.352 575 F C 1.335 177.103 175.800 -0.052 0.000 1.123 575 F CA -0.893 57.103 58.000 -0.007 0.000 1.044 575 F CB 1.713 40.704 39.000 -0.015 0.000 1.135 575 F HN -0.204 nan 8.300 nan 0.000 0.461 576 K N 1.776 122.250 120.400 0.125 0.000 2.211 576 K HA -0.087 4.234 4.320 0.000 0.000 0.203 576 K C 0.828 177.606 176.600 0.297 0.000 1.050 576 K CA 1.102 57.503 56.287 0.191 0.000 0.945 576 K CB 0.083 32.706 32.500 0.205 0.000 0.732 576 K HN 0.678 nan 8.250 nan 0.000 0.451 577 N N -0.166 118.667 118.700 0.222 0.000 2.240 577 N HA 0.014 4.754 4.740 0.000 0.000 0.240 577 N C -0.598 174.960 175.510 0.080 0.000 1.277 577 N CA -0.315 52.906 53.050 0.285 0.000 0.873 577 N CB -0.042 38.694 38.487 0.414 0.000 1.222 577 N HN -0.072 nan 8.380 nan 0.000 0.507 578 L N 0.716 121.774 121.223 -0.274 0.000 2.325 578 L HA 0.692 5.032 4.340 0.000 0.000 0.281 578 L C -1.752 174.681 176.870 -0.728 0.000 1.004 578 L CA -0.587 54.069 54.840 -0.306 0.000 0.823 578 L CB 0.842 42.741 42.059 -0.267 0.000 1.236 578 L HN -0.048 nan 8.230 nan 0.000 0.415 579 F N 4.911 124.770 119.950 -0.152 0.000 2.563 579 F HA 0.673 5.200 4.527 0.000 0.000 0.316 579 F C -0.584 175.056 175.800 -0.266 0.000 1.076 579 F CA -0.695 57.194 58.000 -0.185 0.000 0.921 579 F CB 1.804 40.725 39.000 -0.132 0.000 1.209 579 F HN 0.195 nan 8.300 nan 0.000 0.462 580 L N 1.779 122.956 121.223 -0.076 0.000 2.346 580 L HA 0.897 5.237 4.340 0.000 0.000 0.274 580 L C 0.049 176.927 176.870 0.013 0.000 1.007 580 L CA -0.829 53.897 54.840 -0.190 0.000 0.818 580 L CB 1.951 43.736 42.059 -0.456 0.000 1.284 580 L HN 0.782 nan 8.230 nan 0.000 0.424 581 G N 0.189 109.010 108.800 0.036 0.000 2.519 581 G HA2 0.788 4.748 3.960 0.000 0.000 0.307 581 G HA3 0.788 4.748 3.960 0.000 0.000 0.307 581 G C -0.481 174.538 174.900 0.199 0.000 1.266 581 G CA -0.313 44.914 45.100 0.211 0.000 0.970 581 G HN 0.974 nan 8.290 nan 0.000 0.481 582 G N -1.246 107.662 108.800 0.180 0.000 2.371 582 G HA2 0.033 3.993 3.960 0.000 0.000 0.663 582 G HA3 0.033 3.993 3.960 0.000 0.000 0.663 582 G C 0.838 175.792 174.900 0.091 0.000 1.311 582 G CA 0.000 45.181 45.100 0.134 0.000 0.985 582 G HN 1.212 nan 8.290 nan 0.000 0.566 583 C N 0.557 119.887 119.300 0.049 0.000 2.410 583 C HA 0.130 4.590 4.460 0.000 0.000 0.281 583 C C 3.095 178.065 174.990 -0.033 0.000 1.318 583 C CA 1.968 60.997 59.018 0.018 0.000 1.776 583 C CB -1.412 26.370 27.740 0.071 0.000 1.942 583 C HN 1.365 nan 8.230 nan 0.000 0.508 584 G N 1.129 109.817 108.800 -0.186 0.000 2.479 584 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 584 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 584 G C 1.403 175.939 174.900 -0.607 0.000 1.115 584 G CA 0.817 45.533 45.100 -0.640 0.000 0.757 584 G HN 0.570 nan 8.290 nan 0.000 0.560 585 N N 0.364 118.933 118.700 -0.217 0.000 2.396 585 N HA 0.009 4.749 4.740 0.000 0.000 0.180 585 N C 0.914 176.444 175.510 0.034 0.000 1.028 585 N CA 0.216 53.285 53.050 0.032 0.000 0.893 585 N CB 0.023 38.577 38.487 0.111 0.000 0.967 585 N HN 0.315 nan 8.380 nan 0.000 0.440 586 I N 2.997 123.589 120.570 0.036 0.000 2.436 586 I HA 0.044 4.214 4.170 0.000 0.000 0.289 586 I C -1.357 174.858 176.117 0.164 0.000 1.083 586 I CA -1.057 60.298 61.300 0.091 0.000 1.372 586 I CB 1.262 39.274 38.000 0.020 0.000 1.408 586 I HN -0.081 nan 8.210 nan 0.000 0.516 587 P HA 0.058 nan 4.420 nan 0.000 0.267 587 P C 0.292 177.683 177.300 0.152 0.000 1.289 587 P CA 0.202 63.376 63.100 0.124 0.000 0.866 587 P CB 0.183 31.917 31.700 0.058 0.000 1.309 588 T N -2.201 112.479 114.554 0.210 0.000 2.912 588 T HA 0.677 5.027 4.350 0.000 0.000 0.280 588 T C 0.184 175.010 174.700 0.210 0.000 0.989 588 T CA -0.854 61.358 62.100 0.187 0.000 0.995 588 T CB 1.233 70.197 68.868 0.160 0.000 1.077 588 T HN 0.058 nan 8.240 nan 0.000 0.531 589 A N 1.934 124.807 122.820 0.088 0.000 2.302 589 A HA 0.615 4.935 4.320 0.000 0.000 0.295 589 A C -0.676 176.851 177.584 -0.096 0.000 1.235 589 A CA -0.881 51.147 52.037 -0.015 0.000 0.876 589 A CB -0.811 18.208 19.000 0.032 0.000 1.133 589 A HN 0.910 nan 8.150 nan 0.000 0.533 590 Y N -0.267 119.933 120.300 -0.168 0.000 2.477 590 Y HA 0.699 5.249 4.550 0.000 0.000 0.347 590 Y C 0.678 176.446 175.900 -0.220 0.000 0.981 590 Y CA -0.614 57.203 58.100 -0.472 0.000 1.033 590 Y CB 1.393 39.367 38.460 -0.811 0.000 1.245 590 Y HN 0.401 nan 8.280 nan 0.000 0.455 591 G N 0.999 109.728 108.800 -0.118 0.000 2.673 591 G HA2 0.364 4.324 3.960 0.000 0.000 0.208 591 G HA3 0.364 4.324 3.960 0.000 0.000 0.208 591 G C 0.498 175.481 174.900 0.138 0.000 1.128 591 G CA 0.151 45.370 45.100 0.199 0.000 0.805 591 G HN 0.964 nan 8.290 nan 0.000 0.526 592 A N 0.829 123.577 122.820 -0.121 0.000 2.448 592 A HA 0.409 4.729 4.320 0.000 0.000 0.239 592 A C -0.016 177.529 177.584 -0.065 0.000 1.080 592 A CA -0.398 51.447 52.037 -0.320 0.000 0.779 592 A CB -0.035 18.805 19.000 -0.266 0.000 1.026 592 A HN 0.405 nan 8.150 nan 0.000 0.499 593 N N 2.476 121.028 118.700 -0.247 0.000 2.447 593 N HA 0.219 4.959 4.740 0.000 0.000 0.263 593 N C -1.940 173.646 175.510 0.127 0.000 1.226 593 N CA -0.821 52.205 53.050 -0.040 0.000 0.906 593 N CB 0.412 38.842 38.487 -0.096 0.000 1.060 593 N HN 0.435 nan 8.380 nan 0.000 0.468 594 P HA -0.042 nan 4.420 nan 0.000 0.236 594 P C 0.494 177.750 177.300 -0.072 0.000 1.177 594 P CA 0.756 63.836 63.100 -0.032 0.000 0.773 594 P CB 0.276 31.906 31.700 -0.116 0.000 0.878 595 T N 0.966 115.556 114.554 0.061 0.000 2.720 595 T HA -0.144 4.206 4.350 0.000 0.000 0.268 595 T C 1.790 176.590 174.700 0.166 0.000 1.037 595 T CA 1.012 63.176 62.100 0.106 0.000 1.144 595 T CB -0.818 68.130 68.868 0.134 0.000 0.864 595 T HN 0.027 nan 8.240 nan 0.000 0.444 596 L N 0.985 122.325 121.223 0.195 0.000 2.083 596 L HA -0.079 4.261 4.340 0.000 0.000 0.209 596 L C 2.538 179.492 176.870 0.139 0.000 1.083 596 L CA 1.699 56.696 54.840 0.262 0.000 0.752 596 L CB -0.993 41.217 42.059 0.252 0.000 0.899 596 L HN 0.187 nan 8.230 nan 0.000 0.433 597 T N -0.463 114.048 114.554 -0.072 0.000 2.746 597 T HA -0.137 4.213 4.350 0.000 0.000 0.267 597 T C 1.889 176.508 174.700 -0.135 0.000 1.039 597 T CA 1.246 63.198 62.100 -0.246 0.000 1.142 597 T CB -0.444 67.841 68.868 -0.971 0.000 0.866 597 T HN 0.511 nan 8.240 nan 0.000 0.444 598 A N 1.394 124.146 122.820 -0.114 0.000 1.933 598 A HA -0.017 4.303 4.320 0.000 0.000 0.218 598 A C 2.302 179.854 177.584 -0.053 0.000 1.175 598 A CA 1.664 53.669 52.037 -0.054 0.000 0.628 598 A CB -0.696 18.292 19.000 -0.019 0.000 0.814 598 A HN 0.519 nan 8.150 nan 0.000 0.444 599 M N -0.247 119.329 119.600 -0.040 0.000 2.117 599 M HA -0.142 4.338 4.480 0.000 0.000 0.262 599 M C 2.109 178.318 176.300 -0.153 0.000 1.065 599 M CA 2.073 57.318 55.300 -0.092 0.000 1.114 599 M CB -0.156 32.398 32.600 -0.078 0.000 1.361 599 M HN 0.376 nan 8.290 nan 0.000 0.408 600 S N 1.131 116.744 115.700 -0.144 0.000 2.370 600 S HA -0.131 4.339 4.470 0.000 0.000 0.226 600 S C 1.759 176.172 174.600 -0.311 0.000 1.033 600 S CA 1.397 59.447 58.200 -0.250 0.000 1.011 600 S CB -0.520 62.486 63.200 -0.323 0.000 0.852 600 S HN 0.519 nan 8.310 nan 0.000 0.457 601 L N 0.967 122.048 121.223 -0.236 0.000 2.093 601 L HA -0.096 4.244 4.340 0.000 0.000 0.208 601 L C 2.753 179.483 176.870 -0.233 0.000 1.085 601 L CA 1.063 55.760 54.840 -0.238 0.000 0.755 601 L CB -0.665 41.327 42.059 -0.111 0.000 0.904 601 L HN 0.328 nan 8.230 nan 0.000 0.435 602 A N 0.306 122.978 122.820 -0.247 0.000 1.930 602 A HA -0.152 4.168 4.320 0.000 0.000 0.217 602 A C 2.204 179.453 177.584 -0.557 0.000 1.175 602 A CA 1.281 53.044 52.037 -0.457 0.000 0.627 602 A CB -0.550 18.180 19.000 -0.449 0.000 0.815 602 A HN 0.337 nan 8.150 nan 0.000 0.443 603 I N -0.560 119.784 120.570 -0.377 0.000 2.226 603 I HA -0.274 3.896 4.170 0.000 0.000 0.245 603 I C 2.550 178.495 176.117 -0.286 0.000 1.100 603 I CA 1.880 62.993 61.300 -0.311 0.000 1.374 603 I CB -0.228 37.605 38.000 -0.279 0.000 1.057 603 I HN 0.365 nan 8.210 nan 0.000 0.413 604 K N 0.455 120.683 120.400 -0.287 0.000 2.057 604 K HA -0.209 4.111 4.320 0.000 0.000 0.207 604 K C 2.369 178.870 176.600 -0.165 0.000 1.049 604 K CA 1.710 57.858 56.287 -0.232 0.000 0.931 604 K CB -0.108 32.221 32.500 -0.284 0.000 0.714 604 K HN 0.106 nan 8.250 nan 0.000 0.440 605 S N 0.005 115.587 115.700 -0.196 0.000 2.370 605 S HA -0.184 4.286 4.470 0.000 0.000 0.226 605 S C 2.050 176.540 174.600 -0.183 0.000 1.033 605 S CA 1.537 59.657 58.200 -0.133 0.000 1.011 605 S CB -0.453 62.710 63.200 -0.062 0.000 0.852 605 S HN 0.563 nan 8.310 nan 0.000 0.457 606 C N 1.371 120.489 119.300 -0.303 0.000 2.440 606 C HA 0.028 4.488 4.460 0.000 0.000 0.278 606 C C 2.491 177.389 174.990 -0.153 0.000 1.295 606 C CA 0.621 59.478 59.018 -0.269 0.000 1.738 606 C CB -1.433 26.113 27.740 -0.324 0.000 1.987 606 C HN 0.678 nan 8.230 nan 0.000 0.492 607 E N -0.547 119.584 120.200 -0.115 0.000 2.118 607 E HA -0.265 4.085 4.350 0.000 0.000 0.195 607 E C 1.809 178.404 176.600 -0.008 0.000 0.992 607 E CA 1.542 57.907 56.400 -0.059 0.000 0.804 607 E CB -0.288 29.374 29.700 -0.063 0.000 0.741 607 E HN 0.837 nan 8.360 nan 0.000 0.458 608 Y N 1.112 121.362 120.300 -0.084 0.000 2.163 608 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 608 Y C 1.970 177.877 175.900 0.011 0.000 1.136 608 Y CA 1.438 59.528 58.100 -0.016 0.000 1.147 608 Y CB -0.105 38.376 38.460 0.035 0.000 0.987 608 Y HN -0.074 nan 8.280 nan 0.000 0.509 609 I N 0.462 121.057 120.570 0.041 0.000 2.179 609 I HA -0.339 3.831 4.170 0.000 0.000 0.242 609 I C 2.247 178.395 176.117 0.052 0.000 1.088 609 I CA 1.660 62.971 61.300 0.019 0.000 1.357 609 I CB -0.434 37.360 38.000 -0.343 0.000 1.051 609 I HN 0.160 nan 8.210 nan 0.000 0.409 610 K N 0.377 120.756 120.400 -0.035 0.000 2.281 610 K HA -0.214 4.106 4.320 0.000 0.000 0.203 610 K C 1.797 178.447 176.600 0.084 0.000 1.046 610 K CA 1.228 57.570 56.287 0.093 0.000 0.938 610 K CB -0.150 32.383 32.500 0.055 0.000 0.737 610 K HN 0.520 nan 8.250 nan 0.000 0.458 611 Q N -0.683 119.090 119.800 -0.045 0.000 2.319 611 Q HA 0.113 4.453 4.340 0.000 0.000 0.209 611 Q C 0.843 176.723 176.000 -0.200 0.000 0.884 611 Q CA 0.132 55.869 55.803 -0.110 0.000 0.938 611 Q CB 0.663 29.315 28.738 -0.145 0.000 1.098 611 Q HN 0.268 nan 8.270 nan 0.000 0.517 612 N N -0.771 117.778 118.700 -0.253 0.000 2.159 612 N HA 0.173 4.913 4.740 0.000 0.000 0.217 612 N C -0.925 174.177 175.510 -0.680 0.000 1.223 612 N CA 0.287 53.046 53.050 -0.485 0.000 0.896 612 N CB 1.056 39.088 38.487 -0.758 0.000 1.064 612 N HN -0.015 nan 8.380 nan 0.000 0.518 613 F N 0.156 120.134 119.950 0.045 0.000 2.599 613 F HA 0.378 4.905 4.527 0.000 0.000 0.311 613 F C 0.017 175.948 175.800 0.218 0.000 1.076 613 F CA -0.650 57.438 58.000 0.146 0.000 0.937 613 F CB 1.933 41.039 39.000 0.176 0.000 1.282 613 F HN -0.390 nan 8.300 nan 0.000 0.460 614 T N 2.905 117.649 114.554 0.318 0.000 2.807 614 T HA 0.482 4.832 4.350 0.000 0.000 0.279 614 T C -2.703 171.968 174.700 -0.049 0.000 0.993 614 T CA -1.502 60.651 62.100 0.089 0.000 0.970 614 T CB 1.619 70.508 68.868 0.036 0.000 0.950 614 T HN 0.108 nan 8.240 nan 0.000 0.441 615 P HA 0.190 nan 4.420 nan 0.000 0.269 615 P C -0.081 177.132 177.300 -0.145 0.000 1.209 615 P CA -0.508 62.324 63.100 -0.447 0.000 0.776 615 P CB 0.308 31.632 31.700 -0.626 0.000 0.876 616 S N 2.786 118.445 115.700 -0.067 0.000 2.579 616 S HA 0.297 4.767 4.470 0.000 0.000 0.275 616 S C -2.101 172.494 174.600 -0.009 0.000 1.345 616 S CA -1.043 57.145 58.200 -0.021 0.000 1.031 616 S CB -0.836 62.358 63.200 -0.008 0.000 0.892 616 S HN 0.328 nan 8.310 nan 0.000 0.529 617 P HA 0.087 nan 4.420 nan 0.000 0.267 617 P C -0.769 176.617 177.300 0.142 0.000 1.205 617 P CA -0.267 62.868 63.100 0.058 0.000 0.765 617 P CB 0.068 31.792 31.700 0.041 0.000 0.828 618 F N 4.247 124.180 119.950 -0.028 0.000 2.515 618 F HA 0.311 4.838 4.527 0.000 0.000 0.353 618 F C 0.224 176.016 175.800 -0.014 0.000 1.213 618 F CA -0.508 57.482 58.000 -0.017 0.000 1.194 618 F CB -0.727 38.265 39.000 -0.013 0.000 1.488 618 F HN 0.189 nan 8.300 nan 0.000 0.619 619 T N 0.000 114.748 114.554 0.324 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.188 62.100 0.146 0.000 1.349 619 T CB 0.000 68.909 68.868 0.068 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658