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 2igo_1_C DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT 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 PGLVLHLGGT 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 0.000 176.287 176.300 -0.021 0.000 1.140 43 M CA 0.000 55.336 55.300 0.059 0.000 0.988 43 M CB 0.000 32.491 32.600 -0.182 0.000 1.302 44 D N 4.435 124.844 120.400 0.016 0.000 2.449 44 D HA 0.218 4.858 4.640 0.001 0.000 0.236 44 D C 1.146 177.351 176.300 -0.158 0.000 1.149 44 D CA 0.344 54.265 54.000 -0.132 0.000 0.878 44 D CB 0.836 41.455 40.800 -0.302 0.000 1.198 44 D HN 0.748 nan 8.370 nan 0.000 0.446 45 I N -1.710 118.762 120.570 -0.163 0.000 3.976 45 I HA 0.243 4.413 4.170 0.001 0.000 0.337 45 I C 0.325 176.386 176.117 -0.093 0.000 1.359 45 I CA -0.310 60.945 61.300 -0.074 0.000 1.098 45 I CB 0.099 38.080 38.000 -0.032 0.000 1.027 45 I HN -0.080 nan 8.210 nan 0.000 0.394 46 K N 1.240 121.442 120.400 -0.329 0.000 2.502 46 K HA 0.514 4.835 4.320 0.001 0.000 0.254 46 K C -1.859 174.417 176.600 -0.539 0.000 0.947 46 K CA -0.588 55.535 56.287 -0.272 0.000 0.834 46 K CB 0.725 33.137 32.500 -0.148 0.000 1.112 46 K HN 0.142 nan 8.250 nan 0.000 0.427 47 Y N 1.469 121.757 120.300 -0.019 0.000 2.562 47 Y HA 0.252 4.803 4.550 0.001 0.000 0.343 47 Y C 0.893 176.770 175.900 -0.039 0.000 1.025 47 Y CA -0.723 57.359 58.100 -0.030 0.000 1.082 47 Y CB 1.820 40.265 38.460 -0.025 0.000 1.264 47 Y HN 0.601 nan 8.280 nan 0.000 0.478 48 D N 0.402 120.882 120.400 0.134 0.000 2.097 48 D HA -0.033 4.607 4.640 0.001 0.000 0.195 48 D C -0.268 176.049 176.300 0.028 0.000 0.989 48 D CA 1.544 55.617 54.000 0.121 0.000 0.827 48 D CB 0.151 41.087 40.800 0.228 0.000 0.966 48 D HN 0.118 nan 8.370 nan 0.000 0.456 49 V N 1.139 121.061 119.914 0.014 0.000 2.577 49 V HA 0.327 4.448 4.120 0.001 0.000 0.303 49 V C -0.262 175.751 176.094 -0.135 0.000 1.042 49 V CA -1.034 61.181 62.300 -0.142 0.000 0.872 49 V CB 2.389 34.102 31.823 -0.183 0.000 0.998 49 V HN -0.005 nan 8.190 nan 0.000 0.423 50 V N 3.392 123.175 119.914 -0.219 0.000 2.513 50 V HA 0.766 4.887 4.120 0.001 0.000 0.299 50 V C -0.580 175.461 176.094 -0.088 0.000 1.035 50 V CA -0.561 61.671 62.300 -0.112 0.000 0.889 50 V CB 1.716 33.529 31.823 -0.017 0.000 0.988 50 V HN 0.686 nan 8.190 nan 0.000 0.440 51 I N 4.176 124.727 120.570 -0.031 0.000 2.436 51 I HA 0.480 4.650 4.170 0.001 0.000 0.289 51 I C -0.604 175.536 176.117 0.038 0.000 1.010 51 I CA -0.895 60.364 61.300 -0.068 0.000 1.098 51 I CB 2.296 40.242 38.000 -0.091 0.000 1.266 51 I HN 0.459 nan 8.210 nan 0.000 0.434 52 V N 5.523 125.439 119.914 0.003 0.000 2.364 52 V HA 0.796 4.916 4.120 0.001 0.000 0.272 52 V C 0.438 176.537 176.094 0.010 0.000 1.036 52 V CA -0.232 62.094 62.300 0.044 0.000 0.880 52 V CB 0.639 32.464 31.823 0.003 0.000 0.991 52 V HN 1.054 nan 8.190 nan 0.000 0.460 53 G N 4.004 112.827 108.800 0.038 0.000 2.911 53 G HA2 -0.046 3.914 3.960 0.001 0.000 0.686 53 G HA3 -0.046 3.914 3.960 0.001 0.000 0.686 53 G C -0.024 174.895 174.900 0.031 0.000 1.136 53 G CA -0.262 44.853 45.100 0.026 0.000 0.764 53 G HN 1.272 nan 8.290 nan 0.000 0.626 54 S N 1.032 116.755 115.700 0.038 0.000 2.561 54 S HA 0.590 5.060 4.470 0.001 0.000 0.245 54 S C 1.379 175.999 174.600 0.034 0.000 1.001 54 S CA 0.687 58.919 58.200 0.052 0.000 1.002 54 S CB 0.650 63.892 63.200 0.071 0.000 0.805 54 S HN 1.927 nan 8.310 nan 0.000 0.458 55 G N 2.876 111.686 108.800 0.017 0.000 2.647 55 G HA2 0.329 4.290 3.960 0.001 0.000 0.271 55 G HA3 0.329 4.290 3.960 0.001 0.000 0.271 55 G C -1.085 173.805 174.900 -0.016 0.000 1.300 55 G CA -1.082 44.014 45.100 -0.007 0.000 0.997 55 G HN 0.269 nan 8.290 nan 0.000 0.533 56 P HA -0.041 nan 4.420 nan 0.000 0.223 56 P C 1.705 178.960 177.300 -0.073 0.000 1.151 56 P CA 0.638 63.698 63.100 -0.066 0.000 0.787 56 P CB 0.202 31.879 31.700 -0.038 0.000 0.788 57 I N 0.292 120.852 120.570 -0.018 0.000 2.277 57 I HA -0.035 4.135 4.170 0.001 0.000 0.243 57 I C 2.724 178.909 176.117 0.113 0.000 1.094 57 I CA 1.512 62.835 61.300 0.038 0.000 1.393 57 I CB -2.293 35.754 38.000 0.078 0.000 1.078 57 I HN -0.001 nan 8.210 nan 0.000 0.417 58 G N 0.528 109.370 108.800 0.069 0.000 2.469 58 G HA2 -0.270 3.690 3.960 0.001 0.000 0.219 58 G HA3 -0.270 3.690 3.960 0.001 0.000 0.219 58 G C 1.762 176.668 174.900 0.010 0.000 1.150 58 G CA 1.210 46.338 45.100 0.046 0.000 0.763 58 G HN 0.422 nan 8.290 nan 0.000 0.561 59 C N 0.390 119.675 119.300 -0.025 0.000 2.446 59 C HA 0.062 4.523 4.460 0.001 0.000 0.279 59 C C 3.179 178.055 174.990 -0.190 0.000 1.366 59 C CA 1.278 60.243 59.018 -0.089 0.000 1.763 59 C CB -0.939 26.801 27.740 -0.000 0.000 1.929 59 C HN 0.450 nan 8.230 nan 0.000 0.509 60 T N 0.059 114.524 114.554 -0.147 0.000 2.737 60 T HA -0.151 4.199 4.350 0.001 0.000 0.265 60 T C 1.476 176.023 174.700 -0.255 0.000 1.038 60 T CA 1.592 63.573 62.100 -0.199 0.000 1.144 60 T CB -0.396 68.377 68.868 -0.159 0.000 0.866 60 T HN 0.558 nan 8.240 nan 0.000 0.434 61 Y N 1.488 121.651 120.300 -0.228 0.000 2.128 61 Y HA -0.080 4.471 4.550 0.001 0.000 0.284 61 Y C 2.748 178.429 175.900 -0.364 0.000 1.154 61 Y CA 1.022 58.964 58.100 -0.263 0.000 1.149 61 Y CB -0.661 37.664 38.460 -0.226 0.000 0.976 61 Y HN 0.195 nan 8.280 nan 0.000 0.505 62 A N 0.139 122.770 122.820 -0.315 0.000 1.877 62 A HA -0.237 4.083 4.320 0.001 0.000 0.216 62 A C 2.294 179.306 177.584 -0.954 0.000 1.186 62 A CA 1.884 53.482 52.037 -0.732 0.000 0.620 62 A CB -0.741 17.556 19.000 -1.171 0.000 0.822 62 A HN 0.433 nan 8.150 nan 0.000 0.443 63 R N -0.420 119.605 120.500 -0.791 0.000 2.081 63 R HA -0.142 4.198 4.340 0.001 0.000 0.235 63 R C 1.962 178.050 176.300 -0.353 0.000 1.131 63 R CA 1.640 57.419 56.100 -0.536 0.000 0.960 63 R CB -0.226 29.791 30.300 -0.472 0.000 0.856 63 R HN 0.577 nan 8.270 nan 0.000 0.436 64 E N 0.476 120.491 120.200 -0.307 0.000 2.047 64 E HA -0.161 4.189 4.350 0.001 0.000 0.191 64 E C 2.127 178.639 176.600 -0.146 0.000 0.987 64 E CA 1.152 57.442 56.400 -0.184 0.000 0.799 64 E CB -0.049 29.536 29.700 -0.192 0.000 0.752 64 E HN 0.415 nan 8.360 nan 0.000 0.449 65 L N 0.352 121.456 121.223 -0.198 0.000 2.249 65 L HA -0.038 4.302 4.340 0.001 0.000 0.207 65 L C 2.506 179.391 176.870 0.025 0.000 1.090 65 L CA 0.213 54.972 54.840 -0.135 0.000 0.802 65 L CB -0.198 41.678 42.059 -0.305 0.000 0.947 65 L HN -0.065 nan 8.230 nan 0.000 0.453 66 V N 0.541 120.388 119.914 -0.111 0.000 2.427 66 V HA -0.173 3.948 4.120 0.001 0.000 0.248 66 V C 2.538 178.648 176.094 0.027 0.000 1.051 66 V CA 2.039 64.318 62.300 -0.036 0.000 1.048 66 V CB -1.022 30.704 31.823 -0.161 0.000 0.666 66 V HN 0.558 nan 8.190 nan 0.000 0.456 67 G N -0.756 108.035 108.800 -0.015 0.000 2.484 67 G HA2 0.000 3.961 3.960 0.001 0.000 0.218 67 G HA3 0.000 3.961 3.960 0.001 0.000 0.218 67 G C 1.345 176.273 174.900 0.046 0.000 1.130 67 G CA 0.707 45.817 45.100 0.017 0.000 0.784 67 G HN 0.609 nan 8.290 nan 0.000 0.543 68 A N -0.312 122.560 122.820 0.087 0.000 2.337 68 A HA 0.513 4.833 4.320 0.001 0.000 0.227 68 A C 1.800 179.424 177.584 0.067 0.000 1.259 68 A CA 1.030 53.139 52.037 0.120 0.000 0.870 68 A CB -0.412 18.722 19.000 0.224 0.000 0.927 68 A HN 1.446 nan 8.150 nan 0.000 0.497 69 G N -1.884 106.953 108.800 0.061 0.000 2.132 69 G HA2 -0.279 3.682 3.960 0.001 0.000 0.234 69 G HA3 -0.279 3.682 3.960 0.001 0.000 0.234 69 G C -0.091 174.751 174.900 -0.095 0.000 0.989 69 G CA 0.216 45.307 45.100 -0.016 0.000 0.676 69 G HN 0.409 nan 8.290 nan 0.000 0.522 70 Y N 0.081 120.376 120.300 -0.010 0.000 2.301 70 Y HA 0.501 5.052 4.550 0.001 0.000 0.328 70 Y C 1.027 176.918 175.900 -0.014 0.000 1.242 70 Y CA -0.266 57.825 58.100 -0.015 0.000 1.323 70 Y CB 0.837 39.279 38.460 -0.030 0.000 1.266 70 Y HN 0.070 nan 8.280 nan 0.000 0.527 71 K N 2.311 122.788 120.400 0.129 0.000 2.263 71 K HA 0.467 4.787 4.320 0.001 0.000 0.282 71 K C -1.610 175.100 176.600 0.183 0.000 1.089 71 K CA -0.193 56.153 56.287 0.097 0.000 0.907 71 K CB 0.185 32.706 32.500 0.036 0.000 1.148 71 K HN 0.484 nan 8.250 nan 0.000 0.470 72 V N 3.240 123.243 119.914 0.148 0.000 2.513 72 V HA 0.596 4.717 4.120 0.001 0.000 0.299 72 V C -0.342 175.651 176.094 -0.167 0.000 1.035 72 V CA -0.845 61.492 62.300 0.061 0.000 0.889 72 V CB 1.485 33.386 31.823 0.131 0.000 0.988 72 V HN 0.901 nan 8.190 nan 0.000 0.440 73 A N 5.887 128.448 122.820 -0.432 0.000 2.350 73 A HA 0.938 5.258 4.320 0.001 0.000 0.324 73 A C -0.653 176.596 177.584 -0.559 0.000 1.118 73 A CA -0.628 50.931 52.037 -0.797 0.000 0.783 73 A CB 1.577 19.767 19.000 -1.350 0.000 1.236 73 A HN 0.917 nan 8.150 nan 0.000 0.457 74 M N 2.493 121.679 119.600 -0.690 0.000 2.326 74 M HA 0.726 5.207 4.480 0.001 0.000 0.306 74 M C -2.168 173.804 176.300 -0.545 0.000 1.054 74 M CA -0.415 54.672 55.300 -0.354 0.000 0.922 74 M CB 1.135 33.717 32.600 -0.031 0.000 1.632 74 M HN 0.578 nan 8.290 nan 0.000 0.436 75 F N 2.311 122.249 119.950 -0.021 0.000 2.450 75 F HA 0.576 5.103 4.527 0.001 0.000 0.332 75 F C 0.012 175.806 175.800 -0.010 0.000 1.093 75 F CA -0.330 57.673 58.000 0.006 0.000 1.003 75 F CB 1.344 40.320 39.000 -0.041 0.000 1.151 75 F HN 0.484 nan 8.300 nan 0.000 0.474 76 D N 2.631 123.108 120.400 0.130 0.000 2.964 76 D HA 0.199 4.839 4.640 0.001 0.000 0.234 76 D C 0.485 176.805 176.300 0.033 0.000 1.223 76 D CA -0.343 53.693 54.000 0.059 0.000 0.889 76 D CB 2.373 43.193 40.800 0.034 0.000 1.609 76 D HN 0.641 nan 8.370 nan 0.000 0.523 77 I N 2.053 122.600 120.570 -0.039 0.000 2.614 77 I HA 0.004 4.174 4.170 0.001 0.000 0.258 77 I C 1.122 177.198 176.117 -0.067 0.000 1.189 77 I CA 0.840 62.073 61.300 -0.111 0.000 1.462 77 I CB 0.160 37.979 38.000 -0.303 0.000 1.092 77 I HN 0.339 nan 8.210 nan 0.000 0.442 78 G N -0.154 108.627 108.800 -0.032 0.000 2.568 78 G HA2 0.416 4.377 3.960 0.001 0.000 0.293 78 G HA3 0.416 4.377 3.960 0.001 0.000 0.293 78 G C -0.887 174.028 174.900 0.025 0.000 1.347 78 G CA -0.423 44.682 45.100 0.007 0.000 1.039 78 G HN 0.284 nan 8.290 nan 0.000 0.523 79 E N -1.387 118.833 120.200 0.033 0.000 2.359 79 E HA 0.366 4.716 4.350 0.001 0.000 0.266 79 E C -0.545 176.075 176.600 0.033 0.000 0.920 79 E CA -0.755 55.666 56.400 0.034 0.000 0.788 79 E CB 2.620 32.343 29.700 0.039 0.000 1.279 79 E HN 0.260 nan 8.360 nan 0.000 0.438 80 I N 2.555 123.143 120.570 0.030 0.000 2.533 80 I HA 0.013 4.183 4.170 0.001 0.000 0.284 80 I C -0.283 175.857 176.117 0.040 0.000 1.109 80 I CA 0.610 61.929 61.300 0.032 0.000 1.412 80 I CB 0.145 38.158 38.000 0.022 0.000 1.396 80 I HN 0.507 nan 8.210 nan 0.000 0.543 81 D N 3.114 123.544 120.400 0.049 0.000 3.407 81 D HA 0.055 4.695 4.640 0.001 0.000 0.291 81 D C -0.494 175.855 176.300 0.081 0.000 1.309 81 D CA -0.414 53.623 54.000 0.061 0.000 0.747 81 D CB -0.015 40.819 40.800 0.058 0.000 1.343 81 D HN 0.242 nan 8.370 nan 0.000 0.631 82 S N 0.008 115.759 115.700 0.085 0.000 2.809 82 S HA 0.654 5.124 4.470 0.001 0.000 0.248 82 S C 0.845 175.512 174.600 0.111 0.000 1.071 82 S CA -0.082 58.188 58.200 0.115 0.000 1.059 82 S CB 0.892 64.165 63.200 0.122 0.000 0.923 82 S HN 0.945 nan 8.310 nan 0.000 0.516 83 G N 1.602 110.456 108.800 0.091 0.000 2.584 83 G HA2 -0.229 3.732 3.960 0.001 0.000 0.229 83 G HA3 -0.229 3.732 3.960 0.001 0.000 0.229 83 G C 0.333 175.266 174.900 0.056 0.000 1.320 83 G CA -0.230 44.916 45.100 0.077 0.000 0.891 83 G HN 0.322 nan 8.290 nan 0.000 0.573 84 L N 0.365 121.616 121.223 0.046 0.000 2.217 84 L HA 0.083 4.423 4.340 0.001 0.000 0.211 84 L C 1.507 178.389 176.870 0.020 0.000 1.107 84 L CA 1.096 55.952 54.840 0.027 0.000 0.783 84 L CB -0.332 41.739 42.059 0.020 0.000 0.919 84 L HN 0.345 nan 8.230 nan 0.000 0.442 85 K N 1.752 122.174 120.400 0.037 0.000 2.250 85 K HA 0.301 4.621 4.320 0.001 0.000 0.285 85 K C -0.332 176.290 176.600 0.036 0.000 1.097 85 K CA -0.205 56.100 56.287 0.030 0.000 0.913 85 K CB 0.694 33.227 32.500 0.055 0.000 1.179 85 K HN 0.105 nan 8.250 nan 0.000 0.462 86 I N 1.943 122.518 120.570 0.008 0.000 2.598 86 I HA -0.065 4.105 4.170 0.001 0.000 0.284 86 I C 1.360 177.495 176.117 0.030 0.000 1.140 86 I CA 0.720 62.030 61.300 0.016 0.000 1.420 86 I CB 0.287 38.286 38.000 -0.001 0.000 1.387 86 I HN 0.941 nan 8.210 nan 0.000 0.553 87 G N 4.329 113.160 108.800 0.051 0.000 2.179 87 G HA2 -0.216 3.744 3.960 0.001 0.000 0.257 87 G HA3 -0.216 3.744 3.960 0.001 0.000 0.257 87 G C 0.350 175.303 174.900 0.089 0.000 1.010 87 G CA 0.123 45.259 45.100 0.060 0.000 0.736 87 G HN 0.976 nan 8.290 nan 0.000 0.513 88 A N -0.465 122.422 122.820 0.112 0.000 2.272 88 A HA 0.611 4.931 4.320 0.001 0.000 0.275 88 A C 0.614 178.329 177.584 0.219 0.000 1.096 88 A CA -0.305 51.836 52.037 0.172 0.000 0.822 88 A CB 0.275 19.375 19.000 0.167 0.000 1.088 88 A HN 0.606 nan 8.150 nan 0.000 0.495 89 H N 0.451 119.663 119.070 0.236 0.000 2.848 89 H HA 0.105 4.661 4.556 0.001 0.000 0.317 89 H C 0.740 176.200 175.328 0.220 0.000 1.046 89 H CA 0.684 56.887 56.048 0.259 0.000 1.470 89 H CB 0.836 30.768 29.762 0.284 0.000 1.483 89 H HN 0.674 nan 8.280 nan 0.000 0.548 90 K N 3.347 123.962 120.400 0.359 0.000 2.365 90 K HA -0.095 4.226 4.320 0.001 0.000 0.199 90 K C 1.660 178.514 176.600 0.424 0.000 1.045 90 K CA 0.837 57.384 56.287 0.433 0.000 0.962 90 K CB 0.275 33.047 32.500 0.454 0.000 0.759 90 K HN 0.550 nan 8.250 nan 0.000 0.469 91 K N 0.191 120.681 120.400 0.149 0.000 2.487 91 K HA 0.029 4.350 4.320 0.001 0.000 0.192 91 K C 0.305 176.894 176.600 -0.019 0.000 1.027 91 K CA 0.483 56.516 56.287 -0.423 0.000 1.054 91 K CB 0.180 31.727 32.500 -1.588 0.000 0.824 91 K HN -0.118 nan 8.250 nan 0.000 0.510 92 N N 2.545 121.346 118.700 0.168 0.000 2.623 92 N HA 0.003 4.743 4.740 0.001 0.000 0.263 92 N C -0.704 175.015 175.510 0.349 0.000 1.218 92 N CA 0.316 53.485 53.050 0.198 0.000 0.949 92 N CB 0.722 39.387 38.487 0.297 0.000 1.270 92 N HN 0.426 nan 8.380 nan 0.000 0.507 93 T N -4.411 110.338 114.554 0.326 0.000 2.945 93 T HA 0.342 4.693 4.350 0.001 0.000 0.286 93 T C 1.536 176.419 174.700 0.305 0.000 1.025 93 T CA -0.778 61.504 62.100 0.303 0.000 1.039 93 T CB 1.598 70.600 68.868 0.223 0.000 1.068 93 T HN -0.187 nan 8.240 nan 0.000 0.497 94 V N 1.082 121.157 119.914 0.269 0.000 2.490 94 V HA -0.110 4.010 4.120 0.001 0.000 0.250 94 V C 2.845 179.009 176.094 0.116 0.000 1.061 94 V CA 1.643 64.088 62.300 0.242 0.000 1.064 94 V CB -0.845 31.064 31.823 0.143 0.000 0.670 94 V HN 0.865 nan 8.190 nan 0.000 0.461 95 E N -0.373 119.832 120.200 0.009 0.000 2.077 95 E HA -0.190 4.160 4.350 0.001 0.000 0.193 95 E C 2.133 178.659 176.600 -0.124 0.000 0.989 95 E CA 1.520 57.848 56.400 -0.120 0.000 0.800 95 E CB -0.252 29.274 29.700 -0.290 0.000 0.746 95 E HN 0.738 nan 8.360 nan 0.000 0.452 96 Y N 0.967 121.335 120.300 0.113 0.000 2.395 96 Y HA -0.040 4.510 4.550 0.001 0.000 0.293 96 Y C 2.379 178.295 175.900 0.026 0.000 1.123 96 Y CA 0.621 58.773 58.100 0.087 0.000 1.227 96 Y CB -0.095 38.416 38.460 0.084 0.000 1.012 96 Y HN 0.017 nan 8.280 nan 0.000 0.552 97 Q N 0.271 120.156 119.800 0.141 0.000 2.297 97 Q HA -0.116 4.224 4.340 0.001 0.000 0.204 97 Q C 1.617 177.673 176.000 0.093 0.000 0.962 97 Q CA 1.104 56.938 55.803 0.052 0.000 0.879 97 Q CB -0.047 28.683 28.738 -0.013 0.000 0.947 97 Q HN 0.486 nan 8.270 nan 0.000 0.462 98 K N 0.006 120.468 120.400 0.103 0.000 2.356 98 K HA 0.086 4.407 4.320 0.001 0.000 0.195 98 K C 0.378 177.030 176.600 0.086 0.000 1.037 98 K CA 0.195 56.531 56.287 0.082 0.000 1.014 98 K CB 0.579 33.115 32.500 0.061 0.000 0.815 98 K HN 0.035 nan 8.250 nan 0.000 0.507 99 N N 1.205 119.980 118.700 0.125 0.000 2.672 99 N HA 0.056 4.797 4.740 0.001 0.000 0.295 99 N C 0.264 175.922 175.510 0.247 0.000 1.924 99 N CA 0.013 53.156 53.050 0.154 0.000 0.851 99 N CB 0.967 39.528 38.487 0.124 0.000 1.281 99 N HN 0.002 nan 8.380 nan 0.000 0.494 100 I N 1.008 121.696 120.570 0.196 0.000 2.194 100 I HA -0.241 3.929 4.170 0.001 0.000 0.246 100 I C 1.067 177.314 176.117 0.216 0.000 1.093 100 I CA 1.755 63.169 61.300 0.189 0.000 1.355 100 I CB 0.062 38.133 38.000 0.118 0.000 1.046 100 I HN 0.185 nan 8.210 nan 0.000 0.413 101 D N 0.469 120.993 120.400 0.208 0.000 2.264 101 D HA -0.134 4.506 4.640 0.001 0.000 0.208 101 D C 1.965 178.366 176.300 0.169 0.000 0.966 101 D CA 0.530 54.649 54.000 0.199 0.000 0.864 101 D CB -0.051 40.896 40.800 0.245 0.000 0.933 101 D HN 0.289 nan 8.370 nan 0.000 0.499 102 K N 0.140 120.677 120.400 0.229 0.000 2.362 102 K HA -0.085 4.235 4.320 0.001 0.000 0.200 102 K C 1.704 178.419 176.600 0.191 0.000 1.046 102 K CA 0.029 56.458 56.287 0.237 0.000 0.952 102 K CB -0.353 32.357 32.500 0.350 0.000 0.753 102 K HN 0.212 nan 8.250 nan 0.000 0.466 103 F N 1.431 121.364 119.950 -0.029 0.000 2.365 103 F HA -0.149 4.379 4.527 0.001 0.000 0.300 103 F C 1.810 177.492 175.800 -0.197 0.000 1.090 103 F CA 0.505 58.307 58.000 -0.329 0.000 1.408 103 F CB -0.083 38.689 39.000 -0.381 0.000 1.060 103 F HN -0.297 nan 8.300 nan 0.000 0.534 104 V N 0.544 120.394 119.914 -0.107 0.000 2.453 104 V HA -0.380 3.740 4.120 0.001 0.000 0.252 104 V C 1.780 177.720 176.094 -0.257 0.000 1.068 104 V CA 2.392 64.578 62.300 -0.191 0.000 1.070 104 V CB -1.086 30.639 31.823 -0.163 0.000 0.664 104 V HN 0.397 nan 8.190 nan 0.000 0.461 105 N N -0.320 118.251 118.700 -0.214 0.000 2.270 105 N HA -0.098 4.643 4.740 0.001 0.000 0.181 105 N C 1.640 177.000 175.510 -0.251 0.000 1.016 105 N CA 1.048 53.994 53.050 -0.174 0.000 0.870 105 N CB -0.160 38.283 38.487 -0.074 0.000 0.979 105 N HN 0.335 nan 8.380 nan 0.000 0.431 106 V N 1.228 120.873 119.914 -0.449 0.000 2.307 106 V HA -0.189 3.931 4.120 0.001 0.000 0.245 106 V C 2.024 177.828 176.094 -0.483 0.000 1.045 106 V CA 1.358 63.339 62.300 -0.532 0.000 1.024 106 V CB -0.497 30.739 31.823 -0.979 0.000 0.651 106 V HN 0.285 nan 8.190 nan 0.000 0.449 107 I N -0.034 120.180 120.570 -0.593 0.000 2.127 107 I HA -0.362 3.809 4.170 0.001 0.000 0.241 107 I C 2.727 178.730 176.117 -0.191 0.000 1.075 107 I CA 1.915 63.022 61.300 -0.323 0.000 1.334 107 I CB -0.513 37.337 38.000 -0.250 0.000 1.040 107 I HN 0.349 nan 8.210 nan 0.000 0.405 108 Q N 0.474 120.163 119.800 -0.185 0.000 2.124 108 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 108 Q C 2.322 178.265 176.000 -0.095 0.000 0.977 108 Q CA 1.563 57.291 55.803 -0.125 0.000 0.850 108 Q CB -0.498 28.166 28.738 -0.125 0.000 0.901 108 Q HN 0.662 nan 8.270 nan 0.000 0.429 109 G N 1.225 109.961 108.800 -0.107 0.000 2.509 109 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 109 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 109 G C 1.117 175.988 174.900 -0.047 0.000 1.124 109 G CA 0.740 45.799 45.100 -0.068 0.000 0.776 109 G HN 0.487 nan 8.290 nan 0.000 0.547 110 Q N -0.679 119.085 119.800 -0.059 0.000 2.171 110 Q HA 0.376 4.717 4.340 0.001 0.000 0.218 110 Q C 0.027 176.024 176.000 -0.005 0.000 0.822 110 Q CA -0.283 55.506 55.803 -0.024 0.000 0.987 110 Q CB 0.153 28.875 28.738 -0.026 0.000 1.144 110 Q HN 0.267 nan 8.270 nan 0.000 0.494 111 L N 2.077 123.291 121.223 -0.015 0.000 2.265 111 L HA 0.474 4.814 4.340 0.001 0.000 0.289 111 L C -0.768 176.111 176.870 0.016 0.000 1.033 111 L CA -0.774 54.069 54.840 0.005 0.000 0.814 111 L CB 1.213 43.265 42.059 -0.011 0.000 1.203 111 L HN 0.152 nan 8.230 nan 0.000 0.423 112 M N 2.329 121.956 119.600 0.044 0.000 2.149 112 M HA 0.272 4.753 4.480 0.001 0.000 0.342 112 M C 0.195 176.529 176.300 0.058 0.000 1.068 112 M CA -0.060 55.273 55.300 0.054 0.000 0.991 112 M CB 1.627 34.280 32.600 0.087 0.000 1.596 112 M HN 0.344 nan 8.290 nan 0.000 0.439 113 S N 1.698 117.421 115.700 0.038 0.000 2.558 113 S HA 0.073 4.544 4.470 0.001 0.000 0.293 113 S C 1.453 176.088 174.600 0.058 0.000 1.292 113 S CA -0.493 57.730 58.200 0.037 0.000 1.063 113 S CB 0.484 63.695 63.200 0.018 0.000 0.831 113 S HN 0.587 nan 8.310 nan 0.000 0.499 114 V N 2.467 122.428 119.914 0.078 0.000 2.346 114 V HA 0.030 4.150 4.120 0.001 0.000 0.244 114 V C 1.170 177.275 176.094 0.018 0.000 1.037 114 V CA 1.335 63.675 62.300 0.066 0.000 1.029 114 V CB 0.114 32.015 31.823 0.130 0.000 0.663 114 V HN 0.781 nan 8.190 nan 0.000 0.454 115 S N -0.382 115.350 115.700 0.053 0.000 2.776 115 S HA 0.549 5.020 4.470 0.001 0.000 0.284 115 S C -1.136 173.468 174.600 0.007 0.000 1.160 115 S CA -0.449 57.744 58.200 -0.011 0.000 1.051 115 S CB 1.485 64.651 63.200 -0.056 0.000 1.037 115 S HN -0.001 nan 8.310 nan 0.000 0.485 116 V N 7.838 127.743 119.914 -0.015 0.000 2.384 116 V HA 0.567 4.688 4.120 0.001 0.000 0.287 116 V C -1.993 174.084 176.094 -0.028 0.000 1.020 116 V CA -1.836 60.454 62.300 -0.017 0.000 0.850 116 V CB 1.603 33.416 31.823 -0.017 0.000 0.987 116 V HN 0.720 nan 8.190 nan 0.000 0.436 117 P HA 0.173 nan 4.420 nan 0.000 0.274 117 P C -0.191 177.085 177.300 -0.040 0.000 1.246 117 P CA -0.145 62.935 63.100 -0.032 0.000 0.795 117 P CB 0.887 32.569 31.700 -0.030 0.000 1.006 118 V N 2.503 122.396 119.914 -0.035 0.000 2.617 118 V HA -0.057 4.063 4.120 0.001 0.000 0.304 118 V C 1.300 177.345 176.094 -0.081 0.000 1.040 118 V CA 0.264 62.539 62.300 -0.042 0.000 1.149 118 V CB -0.760 31.058 31.823 -0.008 0.000 0.914 118 V HN 0.623 nan 8.190 nan 0.000 0.487 119 N N 3.765 122.409 118.700 -0.093 0.000 2.470 119 N HA 0.075 4.815 4.740 0.001 0.000 0.268 119 N C 0.619 175.976 175.510 -0.255 0.000 1.136 119 N CA 0.383 53.355 53.050 -0.131 0.000 0.961 119 N CB 1.453 39.889 38.487 -0.085 0.000 1.067 119 N HN 0.872 nan 8.380 nan 0.000 0.468 120 T N 1.069 115.361 114.554 -0.436 0.000 3.228 120 T HA 0.274 4.625 4.350 0.001 0.000 0.278 120 T C 0.808 175.066 174.700 -0.737 0.000 1.014 120 T CA -0.458 61.002 62.100 -1.066 0.000 0.904 120 T CB -0.469 67.830 68.868 -0.949 0.000 1.110 120 T HN 0.273 nan 8.240 nan 0.000 0.541 121 L N 1.913 122.955 121.223 -0.302 0.000 2.453 121 L HA 0.350 4.690 4.340 0.001 0.000 0.272 121 L C 0.109 177.011 176.870 0.053 0.000 1.182 121 L CA -0.654 54.123 54.840 -0.104 0.000 0.858 121 L CB 0.810 42.840 42.059 -0.049 0.000 1.120 121 L HN 0.081 nan 8.230 nan 0.000 0.474 122 V N 4.662 124.629 119.914 0.089 0.000 2.432 122 V HA 0.198 4.318 4.120 0.001 0.000 0.275 122 V C 0.164 176.323 176.094 0.108 0.000 1.043 122 V CA -0.491 61.918 62.300 0.182 0.000 0.925 122 V CB 1.647 33.562 31.823 0.153 0.000 0.985 122 V HN 0.400 nan 8.190 nan 0.000 0.466 123 V N 5.378 125.358 119.914 0.110 0.000 2.311 123 V HA 0.351 4.471 4.120 0.001 0.000 0.275 123 V C 0.203 176.329 176.094 0.052 0.000 1.022 123 V CA -0.389 61.953 62.300 0.069 0.000 0.830 123 V CB 1.416 33.280 31.823 0.069 0.000 1.012 123 V HN 1.079 nan 8.190 nan 0.000 0.452 124 D N 2.036 122.459 120.400 0.039 0.000 2.501 124 D HA 0.007 4.648 4.640 0.001 0.000 0.224 124 D C 1.054 177.364 176.300 0.018 0.000 1.202 124 D CA 0.238 54.253 54.000 0.024 0.000 0.829 124 D CB 0.412 41.226 40.800 0.023 0.000 1.023 124 D HN 0.544 nan 8.370 nan 0.000 0.499 125 T N -1.544 113.023 114.554 0.022 0.000 3.228 125 T HA 0.342 4.693 4.350 0.001 0.000 0.278 125 T C 0.722 175.434 174.700 0.021 0.000 1.014 125 T CA -0.553 61.558 62.100 0.018 0.000 0.904 125 T CB -0.194 68.685 68.868 0.018 0.000 1.110 125 T HN 0.015 nan 8.240 nan 0.000 0.541 126 L N 1.947 123.185 121.223 0.024 0.000 2.467 126 L HA 0.307 4.647 4.340 0.001 0.000 0.270 126 L C 1.158 178.041 176.870 0.021 0.000 1.205 126 L CA -0.547 54.310 54.840 0.029 0.000 0.828 126 L CB 0.420 42.501 42.059 0.036 0.000 1.101 126 L HN 0.267 nan 8.230 nan 0.000 0.479 127 S N 1.950 117.665 115.700 0.025 0.000 2.558 127 S HA 0.081 4.552 4.470 0.001 0.000 0.288 127 S C -1.433 173.176 174.600 0.015 0.000 1.318 127 S CA -0.971 57.241 58.200 0.020 0.000 1.056 127 S CB 0.791 64.005 63.200 0.025 0.000 0.853 127 S HN 0.402 nan 8.310 nan 0.000 0.505 128 P HA -0.080 nan 4.420 nan 0.000 0.220 128 P C 1.292 178.595 177.300 0.004 0.000 1.144 128 P CA 1.350 64.449 63.100 -0.002 0.000 0.800 128 P CB -0.131 31.567 31.700 -0.004 0.000 0.772 129 T N -5.817 108.748 114.554 0.018 0.000 3.067 129 T HA 0.095 4.445 4.350 0.001 0.000 0.261 129 T C 1.029 175.762 174.700 0.055 0.000 1.110 129 T CA 0.056 62.174 62.100 0.030 0.000 1.113 129 T CB -0.542 68.345 68.868 0.032 0.000 0.917 129 T HN -0.102 nan 8.240 nan 0.000 0.499 130 S N 1.412 117.148 115.700 0.061 0.000 2.576 130 S HA 0.276 4.746 4.470 0.001 0.000 0.276 130 S C -0.524 174.160 174.600 0.140 0.000 1.339 130 S CA -0.966 57.298 58.200 0.108 0.000 1.039 130 S CB 0.154 63.410 63.200 0.095 0.000 0.902 130 S HN 0.592 nan 8.310 nan 0.000 0.516 131 W N 2.915 124.224 121.300 0.013 0.000 2.210 131 W HA 0.264 4.924 4.660 0.001 0.000 0.330 131 W C 0.197 176.730 176.519 0.024 0.000 1.334 131 W CA 0.189 57.541 57.345 0.012 0.000 1.227 131 W CB 0.261 29.728 29.460 0.012 0.000 1.178 131 W HN 0.533 nan 8.180 nan 0.000 0.560 132 Q N 4.571 124.050 119.800 -0.535 0.000 2.331 132 Q HA 0.593 4.933 4.340 0.001 0.000 0.272 132 Q C -0.837 174.665 176.000 -0.830 0.000 1.062 132 Q CA -0.904 54.660 55.803 -0.398 0.000 0.806 132 Q CB 1.900 30.498 28.738 -0.234 0.000 1.312 132 Q HN 0.615 nan 8.270 nan 0.000 0.431 133 A N 1.861 124.433 122.820 -0.414 0.000 2.407 133 A HA 0.301 4.621 4.320 0.001 0.000 0.248 133 A C 0.410 177.814 177.584 -0.300 0.000 1.082 133 A CA -0.022 51.846 52.037 -0.281 0.000 0.785 133 A CB 0.732 19.828 19.000 0.160 0.000 1.020 133 A HN 0.838 nan 8.150 nan 0.000 0.489 134 S N -0.484 115.067 115.700 -0.249 0.000 2.517 134 S HA 0.124 4.594 4.470 0.001 0.000 0.214 134 S C 0.783 175.264 174.600 -0.198 0.000 0.991 134 S CA 0.783 58.857 58.200 -0.210 0.000 0.906 134 S CB -0.063 63.036 63.200 -0.169 0.000 0.789 134 S HN 1.077 nan 8.310 nan 0.000 0.513 135 T N -1.287 113.187 114.554 -0.133 0.000 2.887 135 T HA 0.634 4.984 4.350 0.001 0.000 0.292 135 T C -0.815 173.788 174.700 -0.162 0.000 1.087 135 T CA -0.724 61.290 62.100 -0.143 0.000 1.009 135 T CB 0.717 69.614 68.868 0.049 0.000 1.203 135 T HN -0.088 nan 8.240 nan 0.000 0.518 136 F N 2.972 122.988 119.950 0.110 0.000 2.605 136 F HA 0.371 4.898 4.527 0.001 0.000 0.352 136 F C 0.462 176.287 175.800 0.042 0.000 1.236 136 F CA -1.950 56.069 58.000 0.032 0.000 1.267 136 F CB -1.072 37.928 39.000 -0.001 0.000 1.632 136 F HN 0.560 nan 8.300 nan 0.000 0.639 137 F N -0.591 119.453 119.950 0.157 0.000 2.390 137 F HA 0.574 5.101 4.527 0.001 0.000 0.307 137 F C -0.049 175.822 175.800 0.120 0.000 1.227 137 F CA -1.563 56.511 58.000 0.123 0.000 1.179 137 F CB -0.137 38.926 39.000 0.106 0.000 1.280 137 F HN -0.166 nan 8.300 nan 0.000 0.548 138 V N 2.606 122.655 119.914 0.226 0.000 2.446 138 V HA 0.301 4.422 4.120 0.001 0.000 0.276 138 V C 0.142 176.265 176.094 0.048 0.000 1.030 138 V CA -0.043 62.310 62.300 0.089 0.000 1.033 138 V CB -0.421 31.477 31.823 0.126 0.000 0.993 138 V HN 0.746 nan 8.190 nan 0.000 0.477 139 R N 3.721 124.156 120.500 -0.108 0.000 2.698 139 R HA 0.428 4.768 4.340 0.001 0.000 0.275 139 R C -0.058 176.203 176.300 -0.065 0.000 1.001 139 R CA -0.883 55.126 56.100 -0.152 0.000 0.896 139 R CB 1.474 31.530 30.300 -0.406 0.000 1.218 139 R HN 0.710 nan 8.270 nan 0.000 0.462 140 N N 0.633 119.320 118.700 -0.021 0.000 2.741 140 N HA -0.176 4.565 4.740 0.001 0.000 0.250 140 N C 0.372 175.875 175.510 -0.013 0.000 1.115 140 N CA 1.564 54.604 53.050 -0.018 0.000 0.724 140 N CB -1.193 37.275 38.487 -0.032 0.000 1.090 140 N HN 1.070 nan 8.380 nan 0.000 0.558 141 G N -1.314 107.484 108.800 -0.003 0.000 2.160 141 G HA2 -0.305 3.655 3.960 0.001 0.000 0.251 141 G HA3 -0.305 3.655 3.960 0.001 0.000 0.251 141 G C 0.246 175.144 174.900 -0.004 0.000 1.008 141 G CA 0.916 46.017 45.100 0.001 0.000 0.724 141 G HN 1.364 nan 8.290 nan 0.000 0.514 142 S N -0.744 114.949 115.700 -0.013 0.000 2.592 142 S HA 0.507 4.978 4.470 0.001 0.000 0.271 142 S C 0.174 174.767 174.600 -0.013 0.000 1.326 142 S CA -0.107 58.081 58.200 -0.019 0.000 1.024 142 S CB 1.845 65.025 63.200 -0.033 0.000 0.921 142 S HN 0.631 nan 8.310 nan 0.000 0.527 143 N N 2.371 121.055 118.700 -0.026 0.000 2.462 143 N HA 0.354 5.094 4.740 0.001 0.000 0.242 143 N C -1.632 173.863 175.510 -0.025 0.000 1.010 143 N CA -2.526 50.501 53.050 -0.038 0.000 0.939 143 N CB 1.185 39.623 38.487 -0.082 0.000 1.127 143 N HN 0.398 nan 8.380 nan 0.000 0.509 144 P HA -0.040 nan 4.420 nan 0.000 0.233 144 P C 0.326 177.649 177.300 0.038 0.000 1.167 144 P CA 0.767 63.885 63.100 0.030 0.000 0.770 144 P CB 0.565 32.298 31.700 0.055 0.000 0.837 145 E N -0.048 120.160 120.200 0.012 0.000 2.274 145 E HA -0.115 4.235 4.350 0.001 0.000 0.194 145 E C 0.963 177.570 176.600 0.011 0.000 0.996 145 E CA 0.668 57.092 56.400 0.040 0.000 0.840 145 E CB -0.162 29.489 29.700 -0.081 0.000 0.772 145 E HN 0.318 nan 8.360 nan 0.000 0.491 146 Q N 2.217 121.988 119.800 -0.048 0.000 2.295 146 Q HA 0.033 4.374 4.340 0.001 0.000 0.259 146 Q C -0.876 175.132 176.000 0.012 0.000 0.976 146 Q CA -0.202 55.570 55.803 -0.051 0.000 0.923 146 Q CB 0.872 29.567 28.738 -0.071 0.000 1.185 146 Q HN -0.192 nan 8.270 nan 0.000 0.410 147 D N 5.879 126.306 120.400 0.044 0.000 2.343 147 D HA 0.112 4.752 4.640 0.001 0.000 0.255 147 D C -1.747 174.568 176.300 0.026 0.000 1.187 147 D CA -2.050 51.977 54.000 0.046 0.000 0.875 147 D CB 1.312 42.154 40.800 0.071 0.000 1.136 147 D HN 0.426 nan 8.370 nan 0.000 0.469 148 P HA -0.069 nan 4.420 nan 0.000 0.226 148 P C 1.238 178.538 177.300 0.001 0.000 1.153 148 P CA 0.681 63.778 63.100 -0.005 0.000 0.777 148 P CB 0.329 32.015 31.700 -0.025 0.000 0.794 149 L N -1.256 119.972 121.223 0.008 0.000 2.592 149 L HA 0.174 4.514 4.340 0.001 0.000 0.227 149 L C 1.582 178.464 176.870 0.021 0.000 1.127 149 L CA 0.251 55.097 54.840 0.010 0.000 0.884 149 L CB -0.183 41.879 42.059 0.005 0.000 1.065 149 L HN -0.178 nan 8.230 nan 0.000 0.457 150 R N 0.003 120.524 120.500 0.036 0.000 2.776 150 R HA 0.224 4.564 4.340 0.001 0.000 0.391 150 R C -0.408 175.942 176.300 0.085 0.000 1.116 150 R CA -0.259 55.874 56.100 0.055 0.000 1.056 150 R CB 0.264 30.602 30.300 0.062 0.000 1.369 150 R HN 0.054 nan 8.270 nan 0.000 0.590 151 N N 0.607 119.332 118.700 0.042 0.000 2.432 151 N HA 0.346 5.086 4.740 0.001 0.000 0.292 151 N C -0.609 174.803 175.510 -0.163 0.000 1.193 151 N CA -0.654 52.398 53.050 0.005 0.000 0.878 151 N CB 1.313 39.802 38.487 0.004 0.000 1.252 151 N HN 0.091 nan 8.380 nan 0.000 0.520 152 L N 2.160 123.106 121.223 -0.462 0.000 2.556 152 L HA 0.187 4.527 4.340 0.001 0.000 0.245 152 L C 1.563 178.226 176.870 -0.343 0.000 1.174 152 L CA -0.271 54.176 54.840 -0.656 0.000 1.117 152 L CB 0.127 41.369 42.059 -1.361 0.000 1.409 152 L HN 0.627 nan 8.230 nan 0.000 0.411 153 S N -0.233 115.370 115.700 -0.161 0.000 2.419 153 S HA -0.143 4.327 4.470 0.001 0.000 0.235 153 S C 1.785 176.339 174.600 -0.076 0.000 1.019 153 S CA 1.163 59.317 58.200 -0.076 0.000 0.982 153 S CB -0.202 62.970 63.200 -0.046 0.000 0.789 153 S HN 0.633 nan 8.310 nan 0.000 0.490 154 G N 0.261 108.996 108.800 -0.109 0.000 2.777 154 G HA2 0.106 4.066 3.960 0.001 0.000 0.211 154 G HA3 0.106 4.066 3.960 0.001 0.000 0.211 154 G C 0.584 175.436 174.900 -0.080 0.000 1.149 154 G CA -0.298 44.752 45.100 -0.083 0.000 0.785 154 G HN 0.382 nan 8.290 nan 0.000 0.536 155 Q N 0.582 120.310 119.800 -0.120 0.000 2.330 155 Q HA 0.504 4.844 4.340 0.001 0.000 0.279 155 Q C -0.094 175.920 176.000 0.023 0.000 1.024 155 Q CA 0.309 56.074 55.803 -0.063 0.000 0.900 155 Q CB 1.404 30.073 28.738 -0.115 0.000 1.221 155 Q HN 0.293 nan 8.270 nan 0.000 0.396 156 A N 1.842 124.683 122.820 0.035 0.000 2.602 156 A HA 0.760 5.081 4.320 0.001 0.000 0.290 156 A C -1.089 176.530 177.584 0.057 0.000 1.114 156 A CA -0.491 51.573 52.037 0.046 0.000 0.683 156 A CB 1.347 20.362 19.000 0.025 0.000 1.281 156 A HN 0.486 nan 8.150 nan 0.000 0.416 157 V N -2.379 117.580 119.914 0.075 0.000 3.040 157 V HA 0.940 5.061 4.120 0.001 0.000 0.312 157 V C -0.484 175.668 176.094 0.097 0.000 1.115 157 V CA -0.517 61.840 62.300 0.095 0.000 0.998 157 V CB 1.537 33.444 31.823 0.140 0.000 1.042 157 V HN 0.909 nan 8.190 nan 0.000 0.433 158 T N 2.596 117.204 114.554 0.090 0.000 2.841 158 T HA 0.622 4.972 4.350 0.001 0.000 0.283 158 T C -0.377 174.360 174.700 0.062 0.000 1.000 158 T CA -0.503 61.636 62.100 0.066 0.000 0.977 158 T CB 1.321 70.215 68.868 0.044 0.000 0.979 158 T HN 0.772 nan 8.240 nan 0.000 0.446 159 R N 2.403 122.932 120.500 0.048 0.000 2.402 159 R HA 0.595 4.936 4.340 0.001 0.000 0.290 159 R C -0.890 175.424 176.300 0.023 0.000 1.321 159 R CA -0.557 55.552 56.100 0.015 0.000 1.283 159 R CB 0.923 31.212 30.300 -0.017 0.000 1.111 159 R HN 0.518 nan 8.270 nan 0.000 0.578 160 V N -1.717 118.210 119.914 0.022 0.000 3.120 160 V HA 0.470 4.591 4.120 0.001 0.000 0.303 160 V C -0.171 175.939 176.094 0.026 0.000 1.238 160 V CA -1.105 61.212 62.300 0.027 0.000 1.008 160 V CB 1.997 33.839 31.823 0.031 0.000 1.064 160 V HN 0.114 nan 8.190 nan 0.000 0.434 161 V N 3.293 123.225 119.914 0.030 0.000 2.585 161 V HA 0.529 4.649 4.120 0.001 0.000 0.296 161 V C 1.714 177.830 176.094 0.035 0.000 1.035 161 V CA 1.924 64.245 62.300 0.034 0.000 1.084 161 V CB 0.182 32.027 31.823 0.036 0.000 0.953 161 V HN 2.092 nan 8.190 nan 0.000 0.483 162 G N 3.289 112.109 108.800 0.033 0.000 2.213 162 G HA2 -0.009 3.951 3.960 0.001 0.000 0.236 162 G HA3 -0.009 3.951 3.960 0.001 0.000 0.236 162 G C 1.030 175.928 174.900 -0.004 0.000 0.991 162 G CA 0.303 45.417 45.100 0.023 0.000 0.629 162 G HN 2.169 nan 8.290 nan 0.000 0.517 163 G N -0.017 108.786 108.800 0.005 0.000 2.564 163 G HA2 -0.237 3.724 3.960 0.001 0.000 0.273 163 G HA3 -0.237 3.724 3.960 0.001 0.000 0.273 163 G C 1.067 175.959 174.900 -0.013 0.000 1.242 163 G CA 1.088 46.189 45.100 0.002 0.000 0.951 163 G HN 1.111 nan 8.290 nan 0.000 0.564 164 M N 1.587 121.173 119.600 -0.023 0.000 2.630 164 M HA 0.043 4.523 4.480 0.001 0.000 0.254 164 M C 2.604 178.864 176.300 -0.066 0.000 1.092 164 M CA 1.564 56.859 55.300 -0.008 0.000 1.087 164 M CB -0.086 32.534 32.600 0.033 0.000 1.453 164 M HN 0.709 nan 8.290 nan 0.000 0.509 165 S N -0.717 114.854 115.700 -0.215 0.000 2.607 165 S HA -0.053 4.417 4.470 0.001 0.000 0.224 165 S C 1.658 176.204 174.600 -0.090 0.000 0.969 165 S CA 1.021 58.959 58.200 -0.437 0.000 0.927 165 S CB -0.896 62.029 63.200 -0.458 0.000 0.772 165 S HN 0.557 nan 8.310 nan 0.000 0.533 166 T N -2.505 112.004 114.554 -0.076 0.000 3.118 166 T HA 0.500 4.850 4.350 0.001 0.000 0.260 166 T C 1.217 175.742 174.700 -0.291 0.000 1.139 166 T CA 0.471 62.498 62.100 -0.122 0.000 1.085 166 T CB 0.041 68.905 68.868 -0.006 0.000 0.934 166 T HN 0.567 nan 8.240 nan 0.000 0.518 167 A N 0.090 122.837 122.820 -0.121 0.000 2.606 167 A HA 0.417 4.738 4.320 0.001 0.000 0.230 167 A C 0.628 178.435 177.584 0.372 0.000 1.279 167 A CA -0.708 51.424 52.037 0.159 0.000 1.010 167 A CB -0.083 18.978 19.000 0.102 0.000 1.271 167 A HN 0.629 nan 8.150 nan 0.000 0.584 168 W N 0.205 121.540 121.300 0.059 0.000 2.079 168 W HA 0.403 5.063 4.660 0.001 0.000 0.354 168 W C 0.050 176.665 176.519 0.161 0.000 1.302 168 W CA 0.663 58.088 57.345 0.134 0.000 1.281 168 W CB -0.882 28.636 29.460 0.096 0.000 1.165 168 W HN -0.042 nan 8.180 nan 0.000 0.603 169 T N 0.985 115.501 114.554 -0.063 0.000 3.085 169 T HA -0.019 4.331 4.350 0.001 0.000 0.263 169 T C 0.985 175.258 174.700 -0.712 0.000 1.127 169 T CA 1.115 63.001 62.100 -0.356 0.000 1.103 169 T CB -0.580 68.236 68.868 -0.087 0.000 0.921 169 T HN 0.664 nan 8.240 nan 0.000 0.510 170 C N 1.114 119.629 119.300 -1.309 0.000 4.475 170 C HA -0.099 4.362 4.460 0.001 0.000 0.280 170 C C 1.065 175.590 174.990 -0.774 0.000 1.338 170 C CA -0.653 57.363 59.018 -1.670 0.000 1.893 170 C CB -2.771 24.475 27.740 -0.823 0.000 1.299 170 C HN 0.759 nan 8.230 nan 0.000 0.767 171 A N 0.954 123.503 122.820 -0.452 0.000 2.309 171 A HA 0.625 4.945 4.320 0.001 0.000 0.290 171 A C 0.695 178.198 177.584 -0.135 0.000 1.206 171 A CA 0.888 52.813 52.037 -0.188 0.000 0.850 171 A CB 0.283 19.238 19.000 -0.076 0.000 1.118 171 A HN 1.312 nan 8.150 nan 0.000 0.523 172 T N 1.472 115.961 114.554 -0.108 0.000 3.401 172 T HA 0.532 4.883 4.350 0.001 0.000 0.341 172 T C -2.813 171.834 174.700 -0.089 0.000 1.674 172 T CA -1.611 60.453 62.100 -0.060 0.000 1.600 172 T CB 0.536 69.396 68.868 -0.014 0.000 0.974 172 T HN 0.422 nan 8.240 nan 0.000 0.672 173 P HA 0.382 nan 4.420 nan 0.000 0.278 173 P C -0.105 177.045 177.300 -0.250 0.000 1.238 173 P CA -0.649 62.340 63.100 -0.184 0.000 0.794 173 P CB 1.051 32.604 31.700 -0.245 0.000 0.955 174 R N 1.170 121.433 120.500 -0.396 0.000 2.641 174 R HA 0.326 4.667 4.340 0.001 0.000 0.269 174 R C 0.141 176.298 176.300 -0.239 0.000 1.074 174 R CA -0.301 55.355 56.100 -0.740 0.000 1.133 174 R CB 0.088 29.795 30.300 -0.989 0.000 1.029 174 R HN 0.378 nan 8.270 nan 0.000 0.488 175 F N 1.982 121.712 119.950 -0.367 0.000 2.399 175 F HA 0.043 4.570 4.527 0.001 0.000 0.342 175 F C 0.999 176.618 175.800 -0.303 0.000 1.106 175 F CA -1.510 56.296 58.000 -0.323 0.000 1.196 175 F CB 0.274 39.075 39.000 -0.332 0.000 1.163 175 F HN 0.547 nan 8.300 nan 0.000 0.547 176 D N 2.312 122.645 120.400 -0.112 0.000 2.398 176 D HA 0.128 4.768 4.640 0.001 0.000 0.247 176 D C 1.048 177.267 176.300 -0.134 0.000 1.227 176 D CA -0.447 53.486 54.000 -0.112 0.000 0.980 176 D CB 0.571 41.321 40.800 -0.083 0.000 1.106 176 D HN 0.449 nan 8.370 nan 0.000 0.493 177 R N -0.179 120.266 120.500 -0.092 0.000 2.103 177 R HA -0.219 4.122 4.340 0.001 0.000 0.242 177 R C 1.994 178.242 176.300 -0.087 0.000 1.142 177 R CA 1.808 57.861 56.100 -0.079 0.000 0.960 177 R CB -0.368 29.919 30.300 -0.023 0.000 0.858 177 R HN 0.703 nan 8.270 nan 0.000 0.439 178 E N 0.911 121.055 120.200 -0.092 0.000 2.160 178 E HA -0.221 4.129 4.350 0.001 0.000 0.195 178 E C 1.646 178.139 176.600 -0.179 0.000 0.991 178 E CA 1.223 57.572 56.400 -0.085 0.000 0.810 178 E CB 0.175 29.864 29.700 -0.018 0.000 0.742 178 E HN 0.425 nan 8.360 nan 0.000 0.466 179 Q N -0.461 119.139 119.800 -0.333 0.000 2.408 179 Q HA 0.095 4.436 4.340 0.001 0.000 0.205 179 Q C 0.466 176.352 176.000 -0.190 0.000 0.919 179 Q CA -0.061 55.476 55.803 -0.443 0.000 0.932 179 Q CB 0.498 28.695 28.738 -0.902 0.000 1.058 179 Q HN -0.027 nan 8.270 nan 0.000 0.517 180 R N 2.146 122.586 120.500 -0.102 0.000 2.368 180 R HA 0.247 4.587 4.340 0.001 0.000 0.302 180 R C -2.429 173.850 176.300 -0.035 0.000 1.002 180 R CA -2.023 54.014 56.100 -0.106 0.000 0.929 180 R CB 0.809 30.863 30.300 -0.411 0.000 1.073 180 R HN -0.091 nan 8.270 nan 0.000 0.464 181 P HA 0.033 nan 4.420 nan 0.000 0.272 181 P C -0.602 176.851 177.300 0.255 0.000 1.230 181 P CA -0.121 63.067 63.100 0.147 0.000 0.788 181 P CB 0.709 32.505 31.700 0.160 0.000 0.949 182 L N 2.036 123.371 121.223 0.187 0.000 2.397 182 L HA 0.165 4.505 4.340 0.001 0.000 0.271 182 L C 1.738 178.727 176.870 0.198 0.000 1.148 182 L CA -0.198 54.813 54.840 0.285 0.000 0.825 182 L CB 0.303 42.572 42.059 0.350 0.000 1.117 182 L HN 0.357 nan 8.230 nan 0.000 0.456 183 L N 3.078 124.475 121.223 0.290 0.000 2.500 183 L HA 0.205 4.546 4.340 0.001 0.000 0.219 183 L C -0.196 176.875 176.870 0.334 0.000 1.057 183 L CA 0.186 55.097 54.840 0.117 0.000 0.854 183 L CB 0.683 42.608 42.059 -0.222 0.000 1.078 183 L HN 0.308 nan 8.230 nan 0.000 0.480 184 V N 1.506 121.609 119.914 0.315 0.000 2.448 184 V HA 0.234 4.355 4.120 0.001 0.000 0.295 184 V C -0.164 176.038 176.094 0.180 0.000 1.025 184 V CA -1.004 61.419 62.300 0.206 0.000 0.859 184 V CB 1.600 33.483 31.823 0.100 0.000 0.988 184 V HN 0.178 nan 8.190 nan 0.000 0.431 185 K N 2.334 122.690 120.400 -0.073 0.000 2.118 185 K HA 0.326 4.646 4.320 0.001 0.000 0.264 185 K C -0.261 176.306 176.600 -0.056 0.000 1.000 185 K CA -0.422 55.788 56.287 -0.128 0.000 0.929 185 K CB 0.736 32.950 32.500 -0.476 0.000 1.021 185 K HN 0.663 nan 8.250 nan 0.000 0.463 186 D N 0.715 121.109 120.400 -0.010 0.000 2.733 186 D HA -0.189 4.451 4.640 0.001 0.000 0.232 186 D C -0.762 175.544 176.300 0.010 0.000 1.161 186 D CA 1.413 55.413 54.000 -0.000 0.000 0.653 186 D CB -0.702 40.084 40.800 -0.022 0.000 1.052 186 D HN 0.733 nan 8.370 nan 0.000 0.424 187 D N -1.250 119.168 120.400 0.031 0.000 2.411 187 D HA 0.417 5.057 4.640 0.001 0.000 0.239 187 D C 0.866 177.202 176.300 0.060 0.000 1.307 187 D CA 0.051 54.073 54.000 0.037 0.000 0.930 187 D CB 0.587 41.402 40.800 0.026 0.000 1.395 187 D HN -0.013 nan 8.370 nan 0.000 0.536 188 A N 2.595 125.452 122.820 0.061 0.000 2.024 188 A HA -0.149 4.171 4.320 0.001 0.000 0.220 188 A C 1.476 179.108 177.584 0.080 0.000 1.164 188 A CA 1.644 53.727 52.037 0.076 0.000 0.643 188 A CB -0.055 18.983 19.000 0.063 0.000 0.806 188 A HN 0.494 nan 8.150 nan 0.000 0.451 189 D N -0.351 120.087 120.400 0.063 0.000 2.183 189 D HA 0.187 4.827 4.640 0.001 0.000 0.205 189 D C 2.148 178.487 176.300 0.065 0.000 0.962 189 D CA 1.003 55.039 54.000 0.061 0.000 0.849 189 D CB -0.136 40.691 40.800 0.045 0.000 0.978 189 D HN 0.414 nan 8.370 nan 0.000 0.488 190 A N 0.721 123.576 122.820 0.057 0.000 1.969 190 A HA -0.193 4.127 4.320 0.001 0.000 0.218 190 A C 1.817 179.444 177.584 0.072 0.000 1.169 190 A CA 1.754 53.822 52.037 0.051 0.000 0.635 190 A CB -0.562 18.459 19.000 0.036 0.000 0.810 190 A HN 0.197 nan 8.150 nan 0.000 0.445 191 D N -0.084 120.383 120.400 0.111 0.000 2.084 191 D HA -0.168 4.472 4.640 0.001 0.000 0.194 191 D C 1.261 177.715 176.300 0.257 0.000 0.990 191 D CA 1.617 55.728 54.000 0.185 0.000 0.826 191 D CB -0.103 40.833 40.800 0.227 0.000 0.971 191 D HN 0.343 nan 8.370 nan 0.000 0.453 192 D N -0.017 120.507 120.400 0.207 0.000 2.123 192 D HA -0.151 4.490 4.640 0.001 0.000 0.196 192 D C 2.025 178.435 176.300 0.184 0.000 0.992 192 D CA 1.438 55.562 54.000 0.207 0.000 0.833 192 D CB -0.638 40.240 40.800 0.130 0.000 0.954 192 D HN 0.343 nan 8.370 nan 0.000 0.455 193 A N 0.728 123.618 122.820 0.116 0.000 1.902 193 A HA -0.219 4.102 4.320 0.001 0.000 0.217 193 A C 2.154 179.769 177.584 0.051 0.000 1.181 193 A CA 1.913 53.996 52.037 0.076 0.000 0.623 193 A CB -0.491 18.536 19.000 0.045 0.000 0.818 193 A HN 0.148 nan 8.150 nan 0.000 0.443 194 E N -0.960 119.250 120.200 0.018 0.000 2.072 194 E HA -0.164 4.186 4.350 0.001 0.000 0.191 194 E C 1.685 178.203 176.600 -0.136 0.000 0.985 194 E CA 1.355 57.693 56.400 -0.103 0.000 0.801 194 E CB -0.420 29.170 29.700 -0.184 0.000 0.750 194 E HN 0.743 nan 8.360 nan 0.000 0.452 195 W N 0.577 121.844 121.300 -0.054 0.000 2.381 195 W HA -0.069 4.591 4.660 0.001 0.000 0.301 195 W C 2.146 178.671 176.519 0.010 0.000 1.205 195 W CA 1.020 58.302 57.345 -0.105 0.000 1.285 195 W CB -0.326 29.108 29.460 -0.044 0.000 1.133 195 W HN 0.185 nan 8.180 nan 0.000 0.521 196 D N 0.168 120.748 120.400 0.299 0.000 2.116 196 D HA -0.242 4.399 4.640 0.001 0.000 0.193 196 D C 2.135 178.517 176.300 0.137 0.000 0.998 196 D CA 1.610 55.745 54.000 0.224 0.000 0.836 196 D CB -0.209 40.675 40.800 0.139 0.000 0.951 196 D HN -0.043 nan 8.370 nan 0.000 0.449 197 R N -0.406 120.127 120.500 0.055 0.000 2.073 197 R HA -0.072 4.269 4.340 0.001 0.000 0.234 197 R C 2.501 178.766 176.300 -0.058 0.000 1.134 197 R CA 1.060 57.153 56.100 -0.012 0.000 0.952 197 R CB -0.273 29.999 30.300 -0.046 0.000 0.850 197 R HN 0.265 nan 8.270 nan 0.000 0.433 198 L N -0.586 120.568 121.223 -0.114 0.000 2.027 198 L HA -0.171 4.169 4.340 0.001 0.000 0.206 198 L C 2.351 179.156 176.870 -0.109 0.000 1.074 198 L CA 1.098 55.814 54.840 -0.208 0.000 0.745 198 L CB -0.631 41.190 42.059 -0.398 0.000 0.898 198 L HN 0.196 nan 8.230 nan 0.000 0.433 199 Y N 0.482 120.799 120.300 0.027 0.000 2.207 199 Y HA -0.255 4.296 4.550 0.001 0.000 0.287 199 Y C 2.877 178.761 175.900 -0.028 0.000 1.156 199 Y CA 1.593 59.710 58.100 0.028 0.000 1.182 199 Y CB -1.117 37.387 38.460 0.073 0.000 0.979 199 Y HN 0.144 nan 8.280 nan 0.000 0.521 200 T N -0.572 114.060 114.554 0.130 0.000 2.821 200 T HA -0.162 4.189 4.350 0.001 0.000 0.267 200 T C 1.997 176.671 174.700 -0.044 0.000 1.046 200 T CA 1.405 63.533 62.100 0.046 0.000 1.139 200 T CB -0.098 68.789 68.868 0.032 0.000 0.871 200 T HN 0.220 nan 8.240 nan 0.000 0.454 201 K N 0.753 121.069 120.400 -0.140 0.000 2.057 201 K HA 0.052 4.373 4.320 0.001 0.000 0.206 201 K C 2.522 178.801 176.600 -0.535 0.000 1.050 201 K CA 0.986 57.062 56.287 -0.352 0.000 0.935 201 K CB -0.225 32.009 32.500 -0.445 0.000 0.715 201 K HN 0.261 nan 8.250 nan 0.000 0.439 202 A N 1.340 123.959 122.820 -0.336 0.000 1.902 202 A HA -0.201 4.120 4.320 0.001 0.000 0.217 202 A C 1.793 179.393 177.584 0.027 0.000 1.181 202 A CA 1.667 53.581 52.037 -0.205 0.000 0.623 202 A CB -0.439 18.558 19.000 -0.005 0.000 0.818 202 A HN 0.416 nan 8.150 nan 0.000 0.443 203 E N 0.022 120.272 120.200 0.083 0.000 2.110 203 E HA -0.164 4.187 4.350 0.001 0.000 0.193 203 E C 2.345 179.031 176.600 0.143 0.000 0.988 203 E CA 1.465 57.956 56.400 0.151 0.000 0.804 203 E CB -0.175 29.586 29.700 0.101 0.000 0.745 203 E HN 0.789 nan 8.360 nan 0.000 0.458 204 S N -0.041 115.694 115.700 0.058 0.000 2.406 204 S HA -0.147 4.323 4.470 0.001 0.000 0.228 204 S C 1.886 176.630 174.600 0.240 0.000 1.020 204 S CA 0.538 58.806 58.200 0.113 0.000 0.965 204 S CB -0.321 62.922 63.200 0.072 0.000 0.798 204 S HN 0.204 nan 8.310 nan 0.000 0.488 205 Y N 0.512 120.827 120.300 0.024 0.000 2.224 205 Y HA 0.125 4.676 4.550 0.001 0.000 0.289 205 Y C 1.925 177.845 175.900 0.033 0.000 1.146 205 Y CA 0.019 58.094 58.100 -0.042 0.000 1.182 205 Y CB -0.996 37.349 38.460 -0.192 0.000 0.983 205 Y HN 0.335 nan 8.280 nan 0.000 0.524 206 F N 0.274 120.381 119.950 0.262 0.000 2.776 206 F HA 0.075 4.603 4.527 0.001 0.000 0.300 206 F C 0.750 176.669 175.800 0.199 0.000 1.116 206 F CA -0.017 58.133 58.000 0.249 0.000 1.375 206 F CB -0.274 38.892 39.000 0.276 0.000 1.109 206 F HN -0.016 nan 8.300 nan 0.000 0.585 207 Q N 0.615 120.616 119.800 0.335 0.000 2.451 207 Q HA -0.199 4.142 4.340 0.001 0.000 0.305 207 Q C 0.101 176.200 176.000 0.166 0.000 1.345 207 Q CA 0.816 56.741 55.803 0.203 0.000 0.854 207 Q CB -2.687 26.143 28.738 0.154 0.000 1.162 207 Q HN 0.226 nan 8.270 nan 0.000 0.440 208 T N -0.027 114.637 114.554 0.184 0.000 2.928 208 T HA 0.423 4.774 4.350 0.001 0.000 0.305 208 T C 0.814 175.551 174.700 0.063 0.000 1.035 208 T CA 0.567 62.734 62.100 0.111 0.000 1.145 208 T CB 1.305 70.245 68.868 0.120 0.000 0.963 208 T HN 0.508 nan 8.240 nan 0.000 0.545 209 G N 0.527 109.349 108.800 0.037 0.000 2.692 209 G HA2 0.542 4.503 3.960 0.001 0.000 0.291 209 G HA3 0.542 4.503 3.960 0.001 0.000 0.291 209 G C -0.040 174.875 174.900 0.025 0.000 1.423 209 G CA -0.633 44.479 45.100 0.020 0.000 0.843 209 G HN 0.651 nan 8.290 nan 0.000 0.486 210 T N -2.208 112.360 114.554 0.024 0.000 3.339 210 T HA 0.285 4.635 4.350 0.001 0.000 0.292 210 T C 0.124 174.847 174.700 0.037 0.000 1.012 210 T CA 0.418 62.544 62.100 0.043 0.000 0.937 210 T CB 0.385 69.282 68.868 0.048 0.000 1.164 210 T HN 0.517 nan 8.240 nan 0.000 0.509 211 D N 0.327 120.728 120.400 0.002 0.000 2.500 211 D HA 0.031 4.672 4.640 0.001 0.000 0.218 211 D C 1.334 177.572 176.300 -0.104 0.000 1.140 211 D CA -0.009 53.970 54.000 -0.035 0.000 0.830 211 D CB -0.038 40.735 40.800 -0.045 0.000 1.055 211 D HN 0.291 nan 8.370 nan 0.000 0.512 212 Q N -0.326 119.402 119.800 -0.120 0.000 2.369 212 Q HA 0.152 4.493 4.340 0.001 0.000 0.206 212 Q C 0.388 176.001 176.000 -0.645 0.000 0.963 212 Q CA 0.859 56.454 55.803 -0.348 0.000 0.894 212 Q CB -0.282 28.218 28.738 -0.397 0.000 0.965 212 Q HN 0.281 nan 8.270 nan 0.000 0.475 213 F N 0.097 119.893 119.950 -0.256 0.000 2.698 213 F HA 0.234 4.761 4.527 0.001 0.000 0.304 213 F C 1.297 176.896 175.800 -0.336 0.000 1.108 213 F CA -0.561 57.243 58.000 -0.327 0.000 1.263 213 F CB 0.324 39.057 39.000 -0.444 0.000 1.013 213 F HN 0.004 nan 8.300 nan 0.000 0.532 214 K N 0.376 120.692 120.400 -0.140 0.000 2.147 214 K HA -0.154 4.167 4.320 0.001 0.000 0.205 214 K C 1.016 177.594 176.600 -0.037 0.000 1.049 214 K CA 1.768 58.035 56.287 -0.035 0.000 0.936 214 K CB -0.198 32.271 32.500 -0.053 0.000 0.722 214 K HN 0.308 nan 8.250 nan 0.000 0.446 215 E N 1.556 121.617 120.200 -0.232 0.000 2.451 215 E HA 0.052 4.403 4.350 0.001 0.000 0.194 215 E C -0.714 175.786 176.600 -0.167 0.000 1.027 215 E CA -0.350 55.727 56.400 -0.539 0.000 0.914 215 E CB 0.806 29.997 29.700 -0.848 0.000 1.054 215 E HN 0.269 nan 8.360 nan 0.000 0.461 216 S N 0.390 116.128 115.700 0.063 0.000 2.528 216 S HA 0.152 4.622 4.470 0.001 0.000 0.277 216 S C 1.209 175.920 174.600 0.184 0.000 1.297 216 S CA -0.443 57.836 58.200 0.131 0.000 1.052 216 S CB 0.555 63.873 63.200 0.196 0.000 0.917 216 S HN 0.223 nan 8.310 nan 0.000 0.492 217 I N 4.702 125.256 120.570 -0.027 0.000 2.179 217 I HA -0.158 4.013 4.170 0.001 0.000 0.242 217 I C 2.698 178.689 176.117 -0.210 0.000 1.088 217 I CA 1.212 62.260 61.300 -0.421 0.000 1.357 217 I CB -0.189 37.325 38.000 -0.810 0.000 1.051 217 I HN 0.705 nan 8.210 nan 0.000 0.409 218 R N -0.652 119.797 120.500 -0.085 0.000 2.092 218 R HA -0.206 4.135 4.340 0.001 0.000 0.231 218 R C 2.332 178.672 176.300 0.067 0.000 1.119 218 R CA 1.469 57.560 56.100 -0.015 0.000 0.970 218 R CB -0.650 29.647 30.300 -0.005 0.000 0.864 218 R HN 0.410 nan 8.270 nan 0.000 0.440 219 H N 1.344 120.442 119.070 0.047 0.000 2.289 219 H HA -0.080 4.476 4.556 0.001 0.000 0.296 219 H C 1.762 177.165 175.328 0.125 0.000 1.091 219 H CA 1.983 58.080 56.048 0.082 0.000 1.274 219 H CB -0.089 29.756 29.762 0.139 0.000 1.364 219 H HN 0.116 nan 8.280 nan 0.000 0.490 220 N N -0.037 118.786 118.700 0.206 0.000 2.270 220 N HA -0.115 4.626 4.740 0.001 0.000 0.181 220 N C 2.040 177.685 175.510 0.225 0.000 1.016 220 N CA 0.894 54.089 53.050 0.241 0.000 0.870 220 N CB -0.189 38.625 38.487 0.546 0.000 0.979 220 N HN 0.300 nan 8.380 nan 0.000 0.431 221 L N 1.385 122.758 121.223 0.250 0.000 2.012 221 L HA -0.147 4.193 4.340 0.001 0.000 0.210 221 L C 2.119 179.039 176.870 0.084 0.000 1.073 221 L CA 1.458 56.436 54.840 0.229 0.000 0.748 221 L CB -0.588 41.572 42.059 0.168 0.000 0.891 221 L HN -0.121 nan 8.230 nan 0.000 0.431 222 V N -0.783 119.135 119.914 0.007 0.000 2.307 222 V HA -0.241 3.879 4.120 0.001 0.000 0.245 222 V C 2.425 178.441 176.094 -0.131 0.000 1.045 222 V CA 1.600 63.867 62.300 -0.054 0.000 1.024 222 V CB -0.753 31.013 31.823 -0.096 0.000 0.651 222 V HN 0.519 nan 8.190 nan 0.000 0.449 223 L N 1.133 122.243 121.223 -0.188 0.000 2.012 223 L HA -0.182 4.158 4.340 0.001 0.000 0.210 223 L C 2.211 179.007 176.870 -0.124 0.000 1.073 223 L CA 2.139 56.859 54.840 -0.201 0.000 0.748 223 L CB -0.984 40.928 42.059 -0.246 0.000 0.891 223 L HN 0.310 nan 8.230 nan 0.000 0.431 224 N N -0.110 118.567 118.700 -0.038 0.000 2.120 224 N HA -0.205 4.535 4.740 0.001 0.000 0.188 224 N C 1.837 177.323 175.510 -0.041 0.000 1.024 224 N CA 1.371 54.414 53.050 -0.011 0.000 0.852 224 N CB -0.360 38.144 38.487 0.029 0.000 1.003 224 N HN 0.294 nan 8.380 nan 0.000 0.424 225 K N 1.364 121.740 120.400 -0.040 0.000 2.032 225 K HA 0.017 4.338 4.320 0.001 0.000 0.209 225 K C 1.951 178.501 176.600 -0.084 0.000 1.048 225 K CA 1.026 57.287 56.287 -0.042 0.000 0.927 225 K CB -0.478 32.017 32.500 -0.008 0.000 0.712 225 K HN 0.130 nan 8.250 nan 0.000 0.441 226 L N -0.080 121.019 121.223 -0.206 0.000 2.093 226 L HA -0.144 4.196 4.340 0.001 0.000 0.208 226 L C 2.282 178.969 176.870 -0.306 0.000 1.085 226 L CA 1.550 56.163 54.840 -0.378 0.000 0.755 226 L CB -0.761 40.641 42.059 -1.096 0.000 0.904 226 L HN 0.253 nan 8.230 nan 0.000 0.435 227 T N -0.603 113.801 114.554 -0.251 0.000 2.635 227 T HA -0.301 4.050 4.350 0.001 0.000 0.267 227 T C 1.789 176.536 174.700 0.079 0.000 1.040 227 T CA 1.987 64.108 62.100 0.036 0.000 1.156 227 T CB -0.167 68.730 68.868 0.048 0.000 0.863 227 T HN 0.408 nan 8.240 nan 0.000 0.430 228 E N 0.375 120.584 120.200 0.015 0.000 2.077 228 E HA -0.170 4.181 4.350 0.001 0.000 0.193 228 E C 2.218 178.816 176.600 -0.004 0.000 0.989 228 E CA 0.932 57.337 56.400 0.008 0.000 0.800 228 E CB 0.052 29.739 29.700 -0.021 0.000 0.746 228 E HN 0.325 nan 8.360 nan 0.000 0.452 229 E N -0.287 119.898 120.200 -0.025 0.000 2.150 229 E HA -0.158 4.193 4.350 0.001 0.000 0.193 229 E C 0.775 177.216 176.600 -0.265 0.000 0.985 229 E CA 0.949 57.259 56.400 -0.149 0.000 0.814 229 E CB -0.015 29.568 29.700 -0.195 0.000 0.752 229 E HN 0.467 nan 8.360 nan 0.000 0.466 230 Y N 0.518 120.859 120.300 0.068 0.000 2.708 230 Y HA 0.182 4.733 4.550 0.001 0.000 0.287 230 Y C 0.640 176.606 175.900 0.109 0.000 1.145 230 Y CA -0.349 57.828 58.100 0.129 0.000 1.249 230 Y CB 0.290 38.926 38.460 0.294 0.000 1.152 230 Y HN -0.306 nan 8.280 nan 0.000 0.532 231 K N 0.621 121.107 120.400 0.144 0.000 2.484 231 K HA 0.093 4.413 4.320 0.001 0.000 0.280 231 K C 1.173 177.834 176.600 0.101 0.000 1.013 231 K CA 1.225 57.581 56.287 0.114 0.000 1.029 231 K CB 0.147 32.681 32.500 0.057 0.000 0.902 231 K HN 0.681 nan 8.250 nan 0.000 0.481 232 G N 3.133 111.995 108.800 0.104 0.000 2.168 232 G HA2 -0.306 3.654 3.960 0.001 0.000 0.263 232 G HA3 -0.306 3.654 3.960 0.001 0.000 0.263 232 G C 0.578 175.536 174.900 0.096 0.000 0.977 232 G CA 0.899 46.049 45.100 0.083 0.000 0.659 232 G HN 0.757 nan 8.290 nan 0.000 0.533 233 Q N -1.639 118.247 119.800 0.143 0.000 2.577 233 Q HA 0.246 4.586 4.340 0.001 0.000 0.242 233 Q C 1.137 177.234 176.000 0.161 0.000 0.818 233 Q CA 0.125 56.025 55.803 0.162 0.000 0.962 233 Q CB 1.042 29.909 28.738 0.215 0.000 1.272 233 Q HN 0.483 nan 8.270 nan 0.000 0.593 234 R N 0.501 121.111 120.500 0.184 0.000 2.740 234 R HA 0.391 4.732 4.340 0.001 0.000 0.273 234 R C -1.570 174.760 176.300 0.049 0.000 0.998 234 R CA -0.671 55.441 56.100 0.020 0.000 0.900 234 R CB 1.800 31.901 30.300 -0.331 0.000 1.223 234 R HN -0.025 nan 8.270 nan 0.000 0.466 235 D N 1.444 121.798 120.400 -0.076 0.000 2.168 235 D HA 0.382 5.022 4.640 0.001 0.000 0.246 235 D C -0.772 175.407 176.300 -0.202 0.000 1.050 235 D CA 0.076 54.072 54.000 -0.006 0.000 0.857 235 D CB 1.389 42.193 40.800 0.005 0.000 1.169 235 D HN 0.128 nan 8.370 nan 0.000 0.453 236 F N 0.799 120.756 119.950 0.013 0.000 2.538 236 F HA 0.380 4.907 4.527 0.001 0.000 0.325 236 F C 0.663 176.479 175.800 0.027 0.000 1.066 236 F CA -0.573 57.428 58.000 0.002 0.000 0.946 236 F CB 1.806 40.799 39.000 -0.011 0.000 1.199 236 F HN 0.229 nan 8.300 nan 0.000 0.473 237 Q N -0.101 119.826 119.800 0.213 0.000 2.782 237 Q HA 0.310 4.651 4.340 0.001 0.000 0.308 237 Q C -1.635 174.483 176.000 0.197 0.000 0.883 237 Q CA -1.271 54.635 55.803 0.171 0.000 0.755 237 Q CB 1.642 30.445 28.738 0.108 0.000 1.454 237 Q HN 0.604 nan 8.270 nan 0.000 0.452 238 Q N 0.941 120.875 119.800 0.224 0.000 2.337 238 Q HA 0.235 4.576 4.340 0.001 0.000 0.270 238 Q C -0.511 175.567 176.000 0.130 0.000 1.002 238 Q CA -0.166 55.779 55.803 0.238 0.000 0.888 238 Q CB 0.525 29.378 28.738 0.191 0.000 1.222 238 Q HN 0.579 nan 8.270 nan 0.000 0.400 239 I N 6.770 127.400 120.570 0.100 0.000 2.741 239 I HA -0.061 4.110 4.170 0.001 0.000 0.288 239 I C -1.955 174.189 176.117 0.045 0.000 1.192 239 I CA -1.366 59.966 61.300 0.054 0.000 1.426 239 I CB 0.216 38.218 38.000 0.004 0.000 1.367 239 I HN 0.447 nan 8.210 nan 0.000 0.563 240 P HA 0.211 nan 4.420 nan 0.000 0.271 240 P C -0.925 176.376 177.300 0.002 0.000 1.233 240 P CA 0.167 63.275 63.100 0.013 0.000 0.764 240 P CB 0.427 32.117 31.700 -0.017 0.000 0.825 241 L N 2.376 123.614 121.223 0.026 0.000 2.365 241 L HA 0.641 4.982 4.340 0.001 0.000 0.273 241 L C 0.379 177.255 176.870 0.011 0.000 1.000 241 L CA -1.171 53.685 54.840 0.027 0.000 0.819 241 L CB 2.064 44.217 42.059 0.157 0.000 1.284 241 L HN 0.240 nan 8.230 nan 0.000 0.418 242 A N 3.072 125.858 122.820 -0.057 0.000 2.666 242 A HA 0.760 5.080 4.320 0.001 0.000 0.312 242 A C 0.015 177.641 177.584 0.070 0.000 1.471 242 A CA 0.091 52.138 52.037 0.016 0.000 1.134 242 A CB -0.360 18.576 19.000 -0.107 0.000 1.129 242 A HN 0.801 nan 8.150 nan 0.000 0.539 243 A N 1.886 124.715 122.820 0.016 0.000 2.590 243 A HA 0.710 5.030 4.320 0.001 0.000 0.296 243 A C -0.513 176.967 177.584 -0.172 0.000 1.050 243 A CA -0.475 51.472 52.037 -0.150 0.000 0.697 243 A CB 0.654 19.402 19.000 -0.420 0.000 1.277 243 A HN 0.676 nan 8.150 nan 0.000 0.411 244 T N 1.391 115.813 114.554 -0.221 0.000 2.841 244 T HA 0.515 4.865 4.350 0.001 0.000 0.285 244 T C -0.032 174.518 174.700 -0.251 0.000 0.991 244 T CA -0.463 61.531 62.100 -0.177 0.000 0.966 244 T CB 1.330 70.150 68.868 -0.079 0.000 0.962 244 T HN 0.738 nan 8.240 nan 0.000 0.438 245 R N 2.393 122.732 120.500 -0.269 0.000 2.401 245 R HA 0.223 4.564 4.340 0.001 0.000 0.299 245 R C 0.926 177.142 176.300 -0.141 0.000 1.064 245 R CA -0.338 55.598 56.100 -0.273 0.000 1.000 245 R CB 0.364 30.464 30.300 -0.334 0.000 0.973 245 R HN 0.475 nan 8.270 nan 0.000 0.438 246 R N 1.309 121.779 120.500 -0.050 0.000 2.175 246 R HA 0.097 4.437 4.340 0.001 0.000 0.202 246 R C 0.396 176.668 176.300 -0.046 0.000 1.018 246 R CA 0.713 56.797 56.100 -0.026 0.000 1.029 246 R CB 0.352 30.656 30.300 0.006 0.000 0.959 246 R HN 0.741 nan 8.270 nan 0.000 0.480 247 S N -1.067 114.620 115.700 -0.022 0.000 2.656 247 S HA 0.381 4.852 4.470 0.001 0.000 0.273 247 S C -2.570 171.996 174.600 -0.057 0.000 1.168 247 S CA -1.142 57.038 58.200 -0.034 0.000 0.817 247 S CB 2.246 65.444 63.200 -0.004 0.000 1.146 247 S HN -0.273 nan 8.310 nan 0.000 0.475 248 P HA 0.033 nan 4.420 nan 0.000 0.223 248 P C 0.917 178.192 177.300 -0.043 0.000 1.144 248 P CA 1.533 64.591 63.100 -0.070 0.000 0.783 248 P CB -0.186 31.487 31.700 -0.044 0.000 0.771 249 T N -6.488 108.074 114.554 0.013 0.000 3.145 249 T HA 0.311 4.661 4.350 0.001 0.000 0.281 249 T C -0.278 174.482 174.700 0.100 0.000 1.003 249 T CA -0.358 61.771 62.100 0.048 0.000 0.901 249 T CB -0.607 68.307 68.868 0.075 0.000 1.112 249 T HN -0.128 nan 8.240 nan 0.000 0.535 250 F N 1.577 121.464 119.950 -0.105 0.000 2.617 250 F HA 0.619 5.147 4.527 0.001 0.000 0.325 250 F C -1.519 174.146 175.800 -0.226 0.000 1.179 250 F CA -1.177 56.755 58.000 -0.115 0.000 0.965 250 F CB 1.858 40.809 39.000 -0.083 0.000 1.232 250 F HN -0.110 nan 8.300 nan 0.000 0.461 251 V N 5.454 125.044 119.914 -0.540 0.000 2.357 251 V HA 0.249 4.369 4.120 0.001 0.000 0.284 251 V C -0.111 175.452 176.094 -0.885 0.000 1.018 251 V CA -0.782 61.089 62.300 -0.715 0.000 0.841 251 V CB 1.518 32.720 31.823 -1.035 0.000 0.991 251 V HN 0.705 nan 8.190 nan 0.000 0.437 252 E N 4.839 124.802 120.200 -0.396 0.000 2.029 252 E HA 0.096 4.446 4.350 0.001 0.000 0.276 252 E C -0.984 175.410 176.600 -0.344 0.000 1.163 252 E CA -0.487 55.800 56.400 -0.189 0.000 0.909 252 E CB 0.371 30.140 29.700 0.115 0.000 1.046 252 E HN 0.625 nan 8.360 nan 0.000 0.406 253 W N 2.973 124.180 121.300 -0.155 0.000 2.216 253 W HA 0.113 4.773 4.660 0.001 0.000 0.326 253 W C 0.633 177.193 176.519 0.068 0.000 1.319 253 W CA -0.580 56.656 57.345 -0.182 0.000 1.213 253 W CB 0.802 29.908 29.460 -0.590 0.000 1.171 253 W HN 0.310 nan 8.180 nan 0.000 0.557 254 S N 1.726 117.653 115.700 0.378 0.000 2.614 254 S HA 0.628 5.098 4.470 0.001 0.000 0.265 254 S C 0.184 175.245 174.600 0.767 0.000 1.303 254 S CA -0.589 57.905 58.200 0.489 0.000 1.000 254 S CB 1.141 64.641 63.200 0.501 0.000 0.935 254 S HN 0.525 nan 8.310 nan 0.000 0.551 255 S N -0.263 115.831 115.700 0.658 0.000 2.755 255 S HA 0.685 5.155 4.470 0.001 0.000 0.286 255 S C 0.868 175.681 174.600 0.355 0.000 1.207 255 S CA -0.339 58.196 58.200 0.558 0.000 0.892 255 S CB 0.433 63.869 63.200 0.394 0.000 1.240 255 S HN 0.712 nan 8.310 nan 0.000 0.525 256 A N 1.669 124.591 122.820 0.169 0.000 1.927 256 A HA -0.200 4.120 4.320 0.001 0.000 0.220 256 A C 1.995 179.630 177.584 0.086 0.000 1.185 256 A CA 2.233 54.322 52.037 0.086 0.000 0.639 256 A CB -1.564 17.461 19.000 0.043 0.000 0.820 256 A HN 0.849 nan 8.150 nan 0.000 0.451 257 N N -0.546 118.213 118.700 0.098 0.000 2.205 257 N HA -0.154 4.586 4.740 0.001 0.000 0.186 257 N C 1.553 177.090 175.510 0.044 0.000 1.015 257 N CA 2.032 55.109 53.050 0.046 0.000 0.862 257 N CB -0.266 38.262 38.487 0.068 0.000 0.986 257 N HN 0.480 nan 8.380 nan 0.000 0.429 258 T N 0.601 115.233 114.554 0.130 0.000 2.746 258 T HA -0.073 4.277 4.350 0.001 0.000 0.267 258 T C 2.091 176.826 174.700 0.057 0.000 1.039 258 T CA 1.313 63.493 62.100 0.134 0.000 1.142 258 T CB -0.306 68.725 68.868 0.271 0.000 0.866 258 T HN 0.053 nan 8.240 nan 0.000 0.444 259 V N -0.342 119.587 119.914 0.025 0.000 2.307 259 V HA 0.099 4.220 4.120 0.001 0.000 0.245 259 V C 0.556 176.606 176.094 -0.073 0.000 1.045 259 V CA 1.042 63.280 62.300 -0.103 0.000 1.024 259 V CB -0.411 31.308 31.823 -0.174 0.000 0.651 259 V HN 0.494 nan 8.190 nan 0.000 0.449 260 F N 0.885 120.711 119.950 -0.207 0.000 2.623 260 F HA 0.375 4.903 4.527 0.001 0.000 0.323 260 F C 0.268 175.950 175.800 -0.196 0.000 1.158 260 F CA -1.744 56.102 58.000 -0.256 0.000 1.030 260 F CB 1.320 40.119 39.000 -0.335 0.000 1.280 260 F HN 0.150 nan 8.300 nan 0.000 0.474 261 D N 4.948 124.867 120.400 -0.801 0.000 2.350 261 D HA -0.098 4.543 4.640 0.001 0.000 0.216 261 D C 1.245 177.223 176.300 -0.536 0.000 0.968 261 D CA 1.327 55.002 54.000 -0.542 0.000 0.894 261 D CB -0.073 40.487 40.800 -0.399 0.000 0.909 261 D HN 0.706 nan 8.370 nan 0.000 0.520 262 L N -2.156 118.529 121.223 -0.897 0.000 4.625 262 L HA -0.245 4.095 4.340 0.001 0.000 0.428 262 L C -0.137 176.692 176.870 -0.069 0.000 1.129 262 L CA 0.531 55.179 54.840 -0.319 0.000 0.978 262 L CB -1.441 40.616 42.059 -0.003 0.000 2.043 262 L HN 0.209 nan 8.230 nan 0.000 0.847 263 Q N 0.927 120.586 119.800 -0.235 0.000 2.314 263 Q HA 0.224 4.565 4.340 0.001 0.000 0.258 263 Q C 0.408 176.469 176.000 0.102 0.000 0.954 263 Q CA -0.031 55.731 55.803 -0.070 0.000 0.890 263 Q CB 0.656 29.316 28.738 -0.130 0.000 1.210 263 Q HN 0.121 nan 8.270 nan 0.000 0.410 264 N N 1.949 120.702 118.700 0.088 0.000 2.407 264 N HA 0.023 4.764 4.740 0.001 0.000 0.250 264 N C -0.284 175.294 175.510 0.112 0.000 1.236 264 N CA 0.504 53.611 53.050 0.094 0.000 0.879 264 N CB 0.525 38.970 38.487 -0.070 0.000 1.088 264 N HN 0.251 nan 8.380 nan 0.000 0.450 265 R N 1.459 122.059 120.500 0.167 0.000 2.807 265 R HA 0.511 4.851 4.340 0.001 0.000 0.276 265 R C -2.417 173.943 176.300 0.101 0.000 0.979 265 R CA -1.615 54.567 56.100 0.136 0.000 0.928 265 R CB 1.567 31.979 30.300 0.187 0.000 1.191 265 R HN 0.357 nan 8.270 nan 0.000 0.471 266 P HA 0.139 nan 4.420 nan 0.000 0.272 266 P C -1.280 176.072 177.300 0.086 0.000 1.223 266 P CA -0.326 62.858 63.100 0.140 0.000 0.784 266 P CB 0.645 32.473 31.700 0.213 0.000 0.923 267 N N -1.715 117.025 118.700 0.068 0.000 2.972 267 N HA 0.254 4.994 4.740 0.001 0.000 0.262 267 N C 0.436 175.961 175.510 0.025 0.000 1.478 267 N CA -0.766 52.305 53.050 0.035 0.000 0.841 267 N CB -0.568 37.927 38.487 0.014 0.000 1.512 267 N HN 0.031 nan 8.380 nan 0.000 0.548 268 T N -0.731 113.828 114.554 0.009 0.000 2.699 268 T HA -0.125 4.225 4.350 0.001 0.000 0.268 268 T C 0.427 175.126 174.700 -0.001 0.000 1.036 268 T CA 1.707 63.809 62.100 0.002 0.000 1.147 268 T CB -0.454 68.411 68.868 -0.004 0.000 0.862 268 T HN 0.517 nan 8.240 nan 0.000 0.446 269 D N 0.871 121.268 120.400 -0.006 0.000 2.289 269 D HA 0.165 4.806 4.640 0.001 0.000 0.207 269 D C 0.823 177.122 176.300 -0.000 0.000 0.966 269 D CA 0.462 54.456 54.000 -0.011 0.000 0.868 269 D CB 0.200 40.984 40.800 -0.027 0.000 0.943 269 D HN 0.360 nan 8.370 nan 0.000 0.514 270 A N 1.425 124.254 122.820 0.014 0.000 3.030 270 A HA 0.362 4.682 4.320 0.001 0.000 0.335 270 A C -1.990 175.635 177.584 0.068 0.000 1.089 270 A CA -0.984 51.075 52.037 0.038 0.000 0.807 270 A CB 1.054 20.078 19.000 0.042 0.000 1.099 270 A HN -0.151 nan 8.150 nan 0.000 0.474 271 P HA -0.075 nan 4.420 nan 0.000 0.222 271 P C 0.733 178.102 177.300 0.116 0.000 1.153 271 P CA 1.153 64.289 63.100 0.060 0.000 0.798 271 P CB 0.374 32.078 31.700 0.008 0.000 0.796 272 E N -0.464 119.813 120.200 0.129 0.000 2.474 272 E HA 0.068 4.418 4.350 0.001 0.000 0.195 272 E C 0.279 177.095 176.600 0.361 0.000 1.039 272 E CA 0.065 56.602 56.400 0.229 0.000 0.881 272 E CB 0.242 30.008 29.700 0.110 0.000 0.970 272 E HN 0.481 nan 8.360 nan 0.000 0.486 273 E N 0.838 121.187 120.200 0.248 0.000 2.232 273 E HA 0.433 4.784 4.350 0.001 0.000 0.265 273 E C -0.267 176.416 176.600 0.138 0.000 1.001 273 E CA -0.545 55.959 56.400 0.173 0.000 0.870 273 E CB 1.461 31.248 29.700 0.145 0.000 1.175 273 E HN -0.128 nan 8.360 nan 0.000 0.407 274 R N 1.705 122.257 120.500 0.086 0.000 2.507 274 R HA 0.387 4.727 4.340 0.001 0.000 0.298 274 R C -1.700 174.700 176.300 0.166 0.000 1.087 274 R CA -0.501 55.616 56.100 0.029 0.000 0.917 274 R CB 0.886 31.099 30.300 -0.144 0.000 1.173 274 R HN 0.390 nan 8.270 nan 0.000 0.472 275 F N 2.307 122.255 119.950 -0.003 0.000 2.604 275 F HA 0.441 4.968 4.527 0.001 0.000 0.316 275 F C -1.676 174.065 175.800 -0.098 0.000 1.136 275 F CA -0.715 57.273 58.000 -0.019 0.000 0.989 275 F CB 1.931 40.994 39.000 0.105 0.000 1.258 275 F HN 0.356 nan 8.300 nan 0.000 0.451 276 N N 4.777 122.829 118.700 -1.080 0.000 2.296 276 N HA 0.596 5.337 4.740 0.001 0.000 0.294 276 N C -1.980 172.485 175.510 -1.742 0.000 1.033 276 N CA -0.632 51.689 53.050 -1.216 0.000 0.839 276 N CB 2.325 40.257 38.487 -0.926 0.000 1.395 276 N HN 0.581 nan 8.380 nan 0.000 0.479 277 L N 2.496 122.908 121.223 -1.353 0.000 2.295 277 L HA 0.642 4.983 4.340 0.001 0.000 0.285 277 L C -1.644 174.670 176.870 -0.927 0.000 1.035 277 L CA -0.289 54.004 54.840 -0.911 0.000 0.806 277 L CB 0.197 42.084 42.059 -0.287 0.000 1.214 277 L HN 0.467 nan 8.230 nan 0.000 0.426 278 F N 6.359 126.012 119.950 -0.494 0.000 2.443 278 F HA 0.536 5.064 4.527 0.001 0.000 0.369 278 F C -2.129 173.580 175.800 -0.152 0.000 1.090 278 F CA -1.962 55.840 58.000 -0.331 0.000 1.129 278 F CB 0.747 39.488 39.000 -0.432 0.000 1.367 278 F HN 0.421 nan 8.300 nan 0.000 0.465 279 P HA 0.269 nan 4.420 nan 0.000 0.277 279 P C 0.031 177.379 177.300 0.080 0.000 1.271 279 P CA -0.206 62.926 63.100 0.053 0.000 0.795 279 P CB 0.890 32.604 31.700 0.023 0.000 1.101 280 A N -1.248 121.605 122.820 0.056 0.000 2.704 280 A HA -0.114 4.206 4.320 0.001 0.000 0.299 280 A C -0.013 177.596 177.584 0.041 0.000 1.507 280 A CA 0.781 52.845 52.037 0.044 0.000 0.776 280 A CB -2.398 16.628 19.000 0.042 0.000 1.027 280 A HN 0.251 nan 8.150 nan 0.000 0.475 281 V N -0.284 119.671 119.914 0.069 0.000 2.407 281 V HA 0.667 4.788 4.120 0.001 0.000 0.291 281 V C 0.599 176.699 176.094 0.010 0.000 1.018 281 V CA -0.299 62.042 62.300 0.067 0.000 0.842 281 V CB 1.582 33.543 31.823 0.229 0.000 0.996 281 V HN 1.406 nan 8.190 nan 0.000 0.426 282 A N 4.304 127.100 122.820 -0.041 0.000 2.302 282 A HA 0.478 4.798 4.320 0.001 0.000 0.295 282 A C 0.122 177.673 177.584 -0.055 0.000 1.235 282 A CA -0.213 51.786 52.037 -0.063 0.000 0.876 282 A CB -0.073 18.925 19.000 -0.004 0.000 1.133 282 A HN 0.874 nan 8.150 nan 0.000 0.533 283 C N 2.589 121.838 119.300 -0.086 0.000 2.435 283 C HA 0.372 4.832 4.460 0.001 0.000 0.375 283 C C 1.343 176.297 174.990 -0.059 0.000 1.281 283 C CA -0.209 58.746 59.018 -0.104 0.000 1.963 283 C CB -0.242 27.433 27.740 -0.107 0.000 2.490 283 C HN 1.016 nan 8.230 nan 0.000 0.557 284 E N 0.600 120.793 120.200 -0.012 0.000 2.391 284 E HA 0.106 4.457 4.350 0.001 0.000 0.206 284 E C 0.070 176.682 176.600 0.020 0.000 0.851 284 E CA 0.246 56.666 56.400 0.034 0.000 1.059 284 E CB 0.541 30.328 29.700 0.145 0.000 1.065 284 E HN 0.737 nan 8.360 nan 0.000 0.512 285 R N 0.239 120.761 120.500 0.036 0.000 2.663 285 R HA 0.438 4.779 4.340 0.001 0.000 0.267 285 R C -0.844 175.445 176.300 -0.019 0.000 1.038 285 R CA -0.886 55.212 56.100 -0.004 0.000 0.886 285 R CB 1.305 31.591 30.300 -0.022 0.000 1.249 285 R HN -0.102 nan 8.270 nan 0.000 0.463 286 V N -0.721 119.162 119.914 -0.051 0.000 2.472 286 V HA 0.608 4.729 4.120 0.001 0.000 0.290 286 V C 0.042 176.086 176.094 -0.084 0.000 1.037 286 V CA -0.840 61.392 62.300 -0.113 0.000 0.908 286 V CB 1.647 33.360 31.823 -0.182 0.000 0.985 286 V HN 0.505 nan 8.190 nan 0.000 0.454 287 V N 5.818 125.663 119.914 -0.116 0.000 2.407 287 V HA 0.466 4.587 4.120 0.001 0.000 0.278 287 V C 0.609 176.671 176.094 -0.053 0.000 1.037 287 V CA -0.388 61.867 62.300 -0.075 0.000 0.900 287 V CB 1.035 32.825 31.823 -0.054 0.000 0.983 287 V HN 0.950 nan 8.190 nan 0.000 0.459 288 R N 3.682 124.166 120.500 -0.026 0.000 2.457 288 R HA 0.352 4.693 4.340 0.001 0.000 0.284 288 R C 0.218 176.546 176.300 0.047 0.000 1.024 288 R CA -0.664 55.478 56.100 0.070 0.000 1.025 288 R CB 0.848 31.160 30.300 0.019 0.000 1.063 288 R HN 0.868 nan 8.270 nan 0.000 0.493 289 N N 1.254 120.000 118.700 0.076 0.000 2.354 289 N HA -0.006 4.735 4.740 0.001 0.000 0.246 289 N C 0.501 176.007 175.510 -0.008 0.000 1.285 289 N CA 0.101 53.162 53.050 0.019 0.000 0.925 289 N CB 0.481 38.974 38.487 0.010 0.000 1.174 289 N HN 0.581 nan 8.380 nan 0.000 0.478 290 A N 0.228 123.035 122.820 -0.022 0.000 2.019 290 A HA -0.026 4.294 4.320 0.001 0.000 0.219 290 A C 2.139 179.695 177.584 -0.046 0.000 1.164 290 A CA 0.817 52.835 52.037 -0.032 0.000 0.644 290 A CB -0.719 18.264 19.000 -0.028 0.000 0.805 290 A HN 0.645 nan 8.150 nan 0.000 0.449 291 L N -1.086 120.100 121.223 -0.062 0.000 2.558 291 L HA 0.028 4.369 4.340 0.001 0.000 0.225 291 L C 0.018 176.793 176.870 -0.157 0.000 1.128 291 L CA -0.046 54.740 54.840 -0.090 0.000 0.868 291 L CB -0.238 41.769 42.059 -0.088 0.000 1.006 291 L HN 0.381 nan 8.230 nan 0.000 0.454 292 N N 0.081 118.678 118.700 -0.172 0.000 2.756 292 N HA -0.175 4.566 4.740 0.001 0.000 0.248 292 N C 0.783 175.683 175.510 -1.016 0.000 1.062 292 N CA 1.032 53.874 53.050 -0.346 0.000 0.696 292 N CB -1.249 37.174 38.487 -0.107 0.000 0.946 292 N HN 0.523 nan 8.380 nan 0.000 0.548 293 S N -2.286 112.939 115.700 -0.791 0.000 2.728 293 S HA 0.262 4.732 4.470 0.001 0.000 0.257 293 S C 0.214 174.569 174.600 -0.407 0.000 1.060 293 S CA -0.261 57.538 58.200 -0.668 0.000 1.126 293 S CB 1.590 64.623 63.200 -0.279 0.000 1.099 293 S HN 0.336 nan 8.310 nan 0.000 0.617 294 E N 0.489 120.575 120.200 -0.191 0.000 2.352 294 E HA 0.452 4.802 4.350 0.001 0.000 0.280 294 E C -1.639 175.142 176.600 0.302 0.000 0.930 294 E CA -0.840 55.651 56.400 0.151 0.000 0.765 294 E CB 1.426 31.185 29.700 0.099 0.000 1.219 294 E HN 0.119 nan 8.360 nan 0.000 0.434 295 I N 3.598 124.317 120.570 0.247 0.000 2.365 295 I HA 0.115 4.286 4.170 0.001 0.000 0.291 295 I C 0.950 177.008 176.117 -0.098 0.000 1.004 295 I CA 0.132 61.405 61.300 -0.045 0.000 1.311 295 I CB 1.213 38.941 38.000 -0.452 0.000 1.401 295 I HN 0.686 nan 8.210 nan 0.000 0.491 296 E N 3.354 123.500 120.200 -0.091 0.000 2.389 296 E HA 0.086 4.437 4.350 0.001 0.000 0.199 296 E C 0.253 176.884 176.600 0.051 0.000 0.978 296 E CA 0.365 56.777 56.400 0.021 0.000 0.912 296 E CB 0.602 30.323 29.700 0.034 0.000 0.907 296 E HN 0.731 nan 8.360 nan 0.000 0.494 297 S N -0.375 115.278 115.700 -0.077 0.000 2.636 297 S HA 0.470 4.941 4.470 0.001 0.000 0.266 297 S C -1.530 173.043 174.600 -0.045 0.000 1.147 297 S CA -1.055 57.182 58.200 0.062 0.000 0.815 297 S CB 1.273 64.534 63.200 0.103 0.000 1.119 297 S HN 0.016 nan 8.310 nan 0.000 0.470 298 L N 2.038 123.332 121.223 0.119 0.000 2.319 298 L HA 0.635 4.976 4.340 0.001 0.000 0.281 298 L C -0.767 176.111 176.870 0.013 0.000 1.005 298 L CA -0.170 54.697 54.840 0.045 0.000 0.828 298 L CB 1.008 43.120 42.059 0.088 0.000 1.227 298 L HN 0.995 nan 8.230 nan 0.000 0.415 299 H N 5.547 124.574 119.070 -0.073 0.000 2.668 299 H HA 0.597 5.153 4.556 0.001 0.000 0.303 299 H C -0.506 174.773 175.328 -0.082 0.000 1.074 299 H CA -0.106 55.907 56.048 -0.058 0.000 1.406 299 H CB 0.579 30.311 29.762 -0.050 0.000 1.442 299 H HN 0.645 nan 8.280 nan 0.000 0.482 300 I N 1.802 122.088 120.570 -0.474 0.000 2.892 300 I HA 0.414 4.584 4.170 0.001 0.000 0.306 300 I C -1.195 174.782 176.117 -0.233 0.000 1.078 300 I CA -1.008 60.099 61.300 -0.322 0.000 1.032 300 I CB 2.603 40.373 38.000 -0.382 0.000 1.229 300 I HN 0.652 nan 8.210 nan 0.000 0.435 301 H N 3.594 122.556 119.070 -0.181 0.000 2.906 301 H HA 0.236 4.792 4.556 0.001 0.000 0.324 301 H C -1.589 173.743 175.328 0.006 0.000 0.973 301 H CA -0.631 55.361 56.048 -0.093 0.000 1.321 301 H CB 1.542 31.270 29.762 -0.058 0.000 1.535 301 H HN 0.799 nan 8.280 nan 0.000 0.518 302 D N 5.418 125.806 120.400 -0.020 0.000 2.343 302 D HA 0.011 4.652 4.640 0.001 0.000 0.255 302 D C 0.991 177.148 176.300 -0.239 0.000 1.187 302 D CA -0.153 53.824 54.000 -0.039 0.000 0.875 302 D CB 1.165 42.048 40.800 0.138 0.000 1.136 302 D HN 0.677 nan 8.370 nan 0.000 0.469 303 L N 4.180 125.275 121.223 -0.213 0.000 2.313 303 L HA -0.078 4.263 4.340 0.001 0.000 0.214 303 L C 1.955 178.771 176.870 -0.091 0.000 1.119 303 L CA 0.111 54.809 54.840 -0.237 0.000 0.809 303 L CB -0.032 41.975 42.059 -0.086 0.000 0.933 303 L HN 0.511 nan 8.230 nan 0.000 0.449 304 I N -0.467 120.085 120.570 -0.031 0.000 2.296 304 I HA -0.150 4.020 4.170 0.001 0.000 0.242 304 I C 2.733 178.861 176.117 0.018 0.000 1.087 304 I CA 1.713 63.017 61.300 0.007 0.000 1.393 304 I CB -1.268 36.749 38.000 0.028 0.000 1.093 304 I HN 0.281 nan 8.210 nan 0.000 0.421 305 S N 0.383 116.103 115.700 0.034 0.000 2.446 305 S HA 0.112 4.583 4.470 0.001 0.000 0.225 305 S C 1.846 176.475 174.600 0.048 0.000 1.016 305 S CA 0.847 59.078 58.200 0.052 0.000 0.943 305 S CB 0.051 63.305 63.200 0.090 0.000 0.786 305 S HN 0.610 nan 8.310 nan 0.000 0.508 306 G N 1.016 109.840 108.800 0.041 0.000 2.176 306 G HA2 -0.199 3.762 3.960 0.001 0.000 0.253 306 G HA3 -0.199 3.762 3.960 0.001 0.000 0.253 306 G C -0.405 174.575 174.900 0.134 0.000 0.979 306 G CA 0.177 45.345 45.100 0.113 0.000 0.641 306 G HN 0.571 nan 8.290 nan 0.000 0.530 307 D N 0.455 120.886 120.400 0.052 0.000 2.362 307 D HA 0.489 5.130 4.640 0.001 0.000 0.242 307 D C 0.927 177.125 176.300 -0.170 0.000 1.132 307 D CA 0.183 54.103 54.000 -0.134 0.000 0.907 307 D CB 0.564 41.182 40.800 -0.304 0.000 1.195 307 D HN 0.347 nan 8.370 nan 0.000 0.429 308 R N 1.285 121.552 120.500 -0.388 0.000 2.514 308 R HA 0.554 4.894 4.340 0.001 0.000 0.301 308 R C -0.697 175.232 176.300 -0.618 0.000 0.962 308 R CA -0.629 55.261 56.100 -0.351 0.000 0.882 308 R CB 1.137 31.323 30.300 -0.190 0.000 1.143 308 R HN 0.309 nan 8.270 nan 0.000 0.452 309 F N 0.080 119.910 119.950 -0.200 0.000 2.620 309 F HA 0.369 4.896 4.527 0.001 0.000 0.320 309 F C 0.298 176.027 175.800 -0.118 0.000 1.069 309 F CA -1.137 56.790 58.000 -0.122 0.000 0.953 309 F CB 1.620 40.550 39.000 -0.116 0.000 1.322 309 F HN 0.123 nan 8.300 nan 0.000 0.479 310 E N 2.273 122.595 120.200 0.203 0.000 2.151 310 E HA 0.402 4.752 4.350 0.001 0.000 0.275 310 E C -0.811 175.854 176.600 0.108 0.000 0.936 310 E CA -0.383 56.100 56.400 0.140 0.000 0.777 310 E CB 2.086 31.869 29.700 0.138 0.000 1.108 310 E HN 0.307 nan 8.360 nan 0.000 0.401 311 I N 2.223 122.826 120.570 0.055 0.000 2.412 311 I HA 0.313 4.484 4.170 0.001 0.000 0.296 311 I C 0.283 176.504 176.117 0.174 0.000 0.987 311 I CA -0.776 60.564 61.300 0.067 0.000 1.180 311 I CB 1.517 39.480 38.000 -0.062 0.000 1.340 311 I HN 0.307 nan 8.210 nan 0.000 0.455 312 K N 4.409 124.915 120.400 0.177 0.000 2.259 312 K HA 0.848 5.168 4.320 0.001 0.000 0.252 312 K C -1.305 175.370 176.600 0.125 0.000 0.936 312 K CA -0.356 56.053 56.287 0.203 0.000 0.810 312 K CB 2.183 34.772 32.500 0.150 0.000 1.143 312 K HN 0.806 nan 8.250 nan 0.000 0.427 313 A N 2.525 125.352 122.820 0.013 0.000 2.609 313 A HA 0.349 4.670 4.320 0.001 0.000 0.291 313 A C -0.648 176.852 177.584 -0.140 0.000 1.096 313 A CA -0.697 51.229 52.037 -0.185 0.000 0.684 313 A CB 1.182 19.862 19.000 -0.535 0.000 1.282 313 A HN 0.799 nan 8.150 nan 0.000 0.412 314 D N -0.531 119.830 120.400 -0.065 0.000 2.183 314 D HA 0.130 4.770 4.640 0.001 0.000 0.203 314 D C 0.247 176.523 176.300 -0.040 0.000 0.969 314 D CA 1.724 55.769 54.000 0.076 0.000 0.842 314 D CB 0.244 41.147 40.800 0.172 0.000 0.957 314 D HN 0.243 nan 8.370 nan 0.000 0.484 315 V N 0.710 120.425 119.914 -0.330 0.000 2.623 315 V HA 0.261 4.381 4.120 0.001 0.000 0.304 315 V C -1.328 174.512 176.094 -0.423 0.000 1.054 315 V CA -0.935 61.164 62.300 -0.334 0.000 0.882 315 V CB 1.816 33.300 31.823 -0.565 0.000 1.002 315 V HN -0.095 nan 8.190 nan 0.000 0.424 316 Y N 2.962 123.256 120.300 -0.011 0.000 2.352 316 Y HA 0.746 5.296 4.550 0.001 0.000 0.339 316 Y C -0.064 175.801 175.900 -0.059 0.000 0.992 316 Y CA -1.035 57.044 58.100 -0.037 0.000 1.100 316 Y CB 2.143 40.584 38.460 -0.031 0.000 1.192 316 Y HN 0.355 nan 8.280 nan 0.000 0.458 317 V N 5.352 125.234 119.914 -0.052 0.000 2.483 317 V HA 0.375 4.495 4.120 0.001 0.000 0.297 317 V C -0.592 175.363 176.094 -0.232 0.000 1.027 317 V CA -0.911 61.236 62.300 -0.255 0.000 0.855 317 V CB 1.736 33.192 31.823 -0.612 0.000 0.995 317 V HN 0.605 nan 8.190 nan 0.000 0.424 318 L N 5.201 126.287 121.223 -0.229 0.000 2.276 318 L HA 0.559 4.899 4.340 0.001 0.000 0.286 318 L C 0.308 177.069 176.870 -0.182 0.000 1.024 318 L CA -0.162 54.568 54.840 -0.184 0.000 0.826 318 L CB 1.665 43.596 42.059 -0.213 0.000 1.211 318 L HN 0.817 nan 8.230 nan 0.000 0.422 319 T N -1.473 113.009 114.554 -0.119 0.000 3.624 319 T HA 0.341 4.692 4.350 0.001 0.000 0.244 319 T C 0.620 175.322 174.700 0.004 0.000 1.063 319 T CA -0.218 61.854 62.100 -0.047 0.000 1.252 319 T CB 0.990 69.831 68.868 -0.047 0.000 1.021 319 T HN 0.527 nan 8.240 nan 0.000 0.590 320 A N 0.875 123.706 122.820 0.017 0.000 2.337 320 A HA 0.753 5.073 4.320 0.001 0.000 0.227 320 A C 1.405 179.057 177.584 0.114 0.000 1.259 320 A CA 0.076 52.149 52.037 0.059 0.000 0.870 320 A CB -0.909 18.126 19.000 0.058 0.000 0.927 320 A HN 1.725 nan 8.150 nan 0.000 0.497 321 G N -2.447 106.418 108.800 0.108 0.000 2.730 321 G HA2 0.229 4.189 3.960 0.001 0.000 0.686 321 G HA3 0.229 4.189 3.960 0.001 0.000 0.686 321 G C 0.799 175.788 174.900 0.148 0.000 1.343 321 G CA -0.321 44.851 45.100 0.119 0.000 0.826 321 G HN 1.341 nan 8.290 nan 0.000 0.582 322 A N -0.394 122.502 122.820 0.126 0.000 1.978 322 A HA 0.179 4.500 4.320 0.001 0.000 0.220 322 A C 2.605 180.265 177.584 0.126 0.000 1.170 322 A CA 3.245 55.353 52.037 0.118 0.000 0.636 322 A CB -0.270 18.775 19.000 0.075 0.000 0.810 322 A HN 1.582 nan 8.150 nan 0.000 0.448 323 V N -1.407 118.538 119.914 0.050 0.000 2.426 323 V HA -0.133 3.988 4.120 0.001 0.000 0.242 323 V C 2.126 178.227 176.094 0.011 0.000 1.036 323 V CA 1.910 64.205 62.300 -0.008 0.000 1.044 323 V CB -0.887 30.815 31.823 -0.202 0.000 0.688 323 V HN 0.733 nan 8.190 nan 0.000 0.462 324 H N -0.276 118.866 119.070 0.120 0.000 2.512 324 H HA 0.006 4.563 4.556 0.001 0.000 0.279 324 H C 2.218 177.545 175.328 -0.002 0.000 0.999 324 H CA 0.824 56.901 56.048 0.048 0.000 1.283 324 H CB 0.164 29.932 29.762 0.010 0.000 1.421 324 H HN 0.309 nan 8.280 nan 0.000 0.554 325 N N -0.061 118.712 118.700 0.121 0.000 2.084 325 N HA -0.122 4.618 4.740 0.001 0.000 0.190 325 N C 1.758 177.259 175.510 -0.015 0.000 1.030 325 N CA 1.735 54.792 53.050 0.012 0.000 0.849 325 N CB -0.479 37.997 38.487 -0.018 0.000 1.012 325 N HN 0.292 nan 8.380 nan 0.000 0.423 326 T N 0.836 115.457 114.554 0.112 0.000 2.746 326 T HA -0.158 4.192 4.350 0.001 0.000 0.267 326 T C 1.840 176.406 174.700 -0.223 0.000 1.039 326 T CA 1.040 63.197 62.100 0.095 0.000 1.142 326 T CB -0.166 68.909 68.868 0.346 0.000 0.866 326 T HN 0.352 nan 8.240 nan 0.000 0.444 327 Q N 0.118 119.706 119.800 -0.353 0.000 2.061 327 Q HA -0.128 4.213 4.340 0.001 0.000 0.204 327 Q C 2.302 178.020 176.000 -0.469 0.000 0.984 327 Q CA 1.212 56.463 55.803 -0.921 0.000 0.846 327 Q CB -0.250 28.304 28.738 -0.305 0.000 0.902 327 Q HN 0.348 nan 8.270 nan 0.000 0.421 328 L N 0.622 121.711 121.223 -0.223 0.000 2.046 328 L HA -0.150 4.191 4.340 0.001 0.000 0.208 328 L C 2.028 178.814 176.870 -0.139 0.000 1.077 328 L CA 1.533 56.282 54.840 -0.151 0.000 0.747 328 L CB -0.554 41.437 42.059 -0.113 0.000 0.896 328 L HN 0.304 nan 8.230 nan 0.000 0.432 329 L N -2.003 119.116 121.223 -0.172 0.000 2.017 329 L HA -0.201 4.139 4.340 0.001 0.000 0.208 329 L C 2.416 179.321 176.870 0.059 0.000 1.073 329 L CA 1.054 55.821 54.840 -0.122 0.000 0.745 329 L CB -0.629 41.253 42.059 -0.294 0.000 0.894 329 L HN 0.071 nan 8.230 nan 0.000 0.432 330 V N -0.048 119.820 119.914 -0.076 0.000 2.427 330 V HA -0.264 3.857 4.120 0.001 0.000 0.248 330 V C 2.117 178.183 176.094 -0.048 0.000 1.051 330 V CA 1.959 64.237 62.300 -0.037 0.000 1.048 330 V CB -0.694 31.060 31.823 -0.115 0.000 0.666 330 V HN 0.481 nan 8.190 nan 0.000 0.456 331 N N 0.129 118.758 118.700 -0.119 0.000 2.453 331 N HA -0.107 4.633 4.740 0.001 0.000 0.183 331 N C 1.633 177.122 175.510 -0.035 0.000 1.041 331 N CA 1.223 54.229 53.050 -0.073 0.000 0.900 331 N CB -0.073 38.358 38.487 -0.092 0.000 0.961 331 N HN 0.402 nan 8.380 nan 0.000 0.443 332 S N -1.509 114.195 115.700 0.007 0.000 2.575 332 S HA 0.284 4.754 4.470 0.001 0.000 0.215 332 S C 1.181 175.755 174.600 -0.044 0.000 0.966 332 S CA 0.394 58.608 58.200 0.023 0.000 0.911 332 S CB 0.396 63.670 63.200 0.124 0.000 0.780 332 S HN 0.565 nan 8.310 nan 0.000 0.514 333 G N 0.935 109.714 108.800 -0.035 0.000 2.159 333 G HA2 -0.219 3.741 3.960 0.001 0.000 0.227 333 G HA3 -0.219 3.741 3.960 0.001 0.000 0.227 333 G C -0.035 174.767 174.900 -0.163 0.000 0.986 333 G CA -0.579 44.454 45.100 -0.111 0.000 0.651 333 G HN 0.399 nan 8.290 nan 0.000 0.523 334 F N 0.895 120.808 119.950 -0.061 0.000 2.406 334 F HA 0.515 5.042 4.527 0.001 0.000 0.327 334 F C 1.775 177.580 175.800 0.008 0.000 1.153 334 F CA 1.144 59.122 58.000 -0.037 0.000 1.218 334 F CB 0.471 39.420 39.000 -0.085 0.000 1.215 334 F HN 0.735 nan 8.300 nan 0.000 0.570 335 G N 1.407 110.351 108.800 0.241 0.000 2.614 335 G HA2 -0.308 3.652 3.960 0.001 0.000 0.303 335 G HA3 -0.308 3.652 3.960 0.001 0.000 0.303 335 G C -0.624 174.352 174.900 0.126 0.000 1.270 335 G CA 0.392 45.599 45.100 0.178 0.000 0.988 335 G HN 0.882 nan 8.290 nan 0.000 0.551 336 Q N -1.148 118.733 119.800 0.136 0.000 2.305 336 Q HA 0.606 4.946 4.340 0.001 0.000 0.271 336 Q C -1.189 174.896 176.000 0.141 0.000 1.046 336 Q CA -1.058 54.804 55.803 0.099 0.000 0.798 336 Q CB 1.681 30.457 28.738 0.063 0.000 1.286 336 Q HN 0.706 nan 8.270 nan 0.000 0.435 337 L N 3.484 124.778 121.223 0.119 0.000 2.397 337 L HA 0.721 5.061 4.340 0.001 0.000 0.271 337 L C 0.524 177.480 176.870 0.143 0.000 1.148 337 L CA 2.172 57.109 54.840 0.162 0.000 0.825 337 L CB 0.826 42.953 42.059 0.113 0.000 1.117 337 L HN 0.878 nan 8.230 nan 0.000 0.456 338 G N 3.996 112.944 108.800 0.247 0.000 2.685 338 G HA2 -0.194 3.766 3.960 0.001 0.000 0.387 338 G HA3 -0.194 3.766 3.960 0.001 0.000 0.387 338 G C -0.484 174.328 174.900 -0.147 0.000 1.324 338 G CA -0.273 44.930 45.100 0.172 0.000 0.878 338 G HN 0.868 nan 8.290 nan 0.000 0.527 339 R N 0.765 120.941 120.500 -0.541 0.000 2.489 339 R HA 0.401 4.742 4.340 0.001 0.000 0.287 339 R C -1.912 173.937 176.300 -0.752 0.000 1.053 339 R CA -0.709 54.611 56.100 -1.299 0.000 1.036 339 R CB -0.008 29.808 30.300 -0.807 0.000 0.966 339 R HN 0.352 nan 8.270 nan 0.000 0.432 340 P HA -0.098 nan 4.420 nan 0.000 0.263 340 P C -1.279 175.858 177.300 -0.272 0.000 1.175 340 P CA 0.634 63.487 63.100 -0.411 0.000 0.761 340 P CB 0.323 31.802 31.700 -0.369 0.000 0.794 341 N N 2.671 121.272 118.700 -0.165 0.000 2.675 341 N HA 0.195 4.935 4.740 0.001 0.000 0.254 341 N C -2.379 173.088 175.510 -0.070 0.000 1.224 341 N CA -1.521 51.462 53.050 -0.112 0.000 0.777 341 N CB 1.015 39.444 38.487 -0.096 0.000 1.256 341 N HN 0.168 nan 8.380 nan 0.000 0.531 342 P HA 0.207 nan 4.420 nan 0.000 0.243 342 P C -0.148 177.135 177.300 -0.027 0.000 1.668 342 P CA 0.218 63.294 63.100 -0.039 0.000 0.898 342 P CB 0.499 32.174 31.700 -0.041 0.000 1.637 343 A N -0.462 122.341 122.820 -0.028 0.000 2.533 343 A HA 0.155 4.475 4.320 0.001 0.000 0.180 343 A C 0.721 178.294 177.584 -0.019 0.000 1.566 343 A CA -0.130 51.894 52.037 -0.022 0.000 1.153 343 A CB -0.027 18.957 19.000 -0.026 0.000 1.462 343 A HN 0.155 nan 8.150 nan 0.000 0.523 344 N N 2.368 121.055 118.700 -0.022 0.000 2.918 344 N HA 0.248 4.988 4.740 0.001 0.000 0.270 344 N C -2.995 172.509 175.510 -0.009 0.000 1.536 344 N CA -1.135 51.906 53.050 -0.016 0.000 0.877 344 N CB 1.551 40.026 38.487 -0.020 0.000 1.190 344 N HN 0.266 nan 8.380 nan 0.000 0.492 345 P HA 0.203 nan 4.420 nan 0.000 0.271 345 P C -2.675 174.635 177.300 0.017 0.000 1.218 345 P CA -0.845 62.260 63.100 0.010 0.000 0.780 345 P CB 0.069 31.777 31.700 0.013 0.000 0.901 346 P HA 0.117 nan 4.420 nan 0.000 0.271 346 P C 0.918 178.242 177.300 0.040 0.000 1.216 346 P CA -0.062 63.062 63.100 0.041 0.000 0.776 346 P CB 0.673 32.414 31.700 0.069 0.000 0.881 347 E N 2.690 122.906 120.200 0.027 0.000 2.110 347 E HA -0.084 4.266 4.350 0.001 0.000 0.193 347 E C -0.250 176.381 176.600 0.051 0.000 0.988 347 E CA 0.835 57.249 56.400 0.024 0.000 0.804 347 E CB 0.041 29.741 29.700 0.000 0.000 0.745 347 E HN 0.399 nan 8.360 nan 0.000 0.458 348 L N 1.361 122.626 121.223 0.070 0.000 2.362 348 L HA 0.308 4.648 4.340 0.001 0.000 0.275 348 L C -0.169 176.827 176.870 0.210 0.000 0.998 348 L CA -0.951 53.973 54.840 0.139 0.000 0.820 348 L CB 1.912 44.008 42.059 0.062 0.000 1.270 348 L HN 0.157 nan 8.230 nan 0.000 0.415 349 L N 3.856 125.227 121.223 0.248 0.000 3.895 349 L HA -0.196 4.144 4.340 0.001 0.000 0.511 349 L C -1.458 175.526 176.870 0.190 0.000 1.222 349 L CA -0.546 54.438 54.840 0.240 0.000 0.739 349 L CB -0.850 41.379 42.059 0.283 0.000 1.425 349 L HN 0.575 nan 8.230 nan 0.000 0.817 350 P HA -0.127 nan 4.420 nan 0.000 0.221 350 P C 1.266 178.666 177.300 0.166 0.000 1.145 350 P CA 1.121 64.300 63.100 0.132 0.000 0.795 350 P CB 0.291 32.050 31.700 0.099 0.000 0.775 351 S N -0.901 114.915 115.700 0.193 0.000 2.575 351 S HA 0.083 4.553 4.470 0.001 0.000 0.215 351 S C 0.728 175.488 174.600 0.267 0.000 0.966 351 S CA -0.408 57.950 58.200 0.263 0.000 0.911 351 S CB -0.604 62.728 63.200 0.221 0.000 0.780 351 S HN 0.047 nan 8.310 nan 0.000 0.514 352 L N 2.186 123.545 121.223 0.226 0.000 2.455 352 L HA 0.473 4.814 4.340 0.001 0.000 0.272 352 L C 1.141 178.156 176.870 0.242 0.000 1.174 352 L CA 1.049 56.024 54.840 0.225 0.000 0.869 352 L CB -0.248 41.931 42.059 0.201 0.000 1.130 352 L HN 0.323 nan 8.230 nan 0.000 0.474 353 G N 2.463 111.414 108.800 0.252 0.000 2.162 353 G HA2 -0.260 3.700 3.960 0.001 0.000 0.260 353 G HA3 -0.260 3.700 3.960 0.001 0.000 0.260 353 G C 0.421 175.453 174.900 0.219 0.000 0.976 353 G CA 0.354 45.603 45.100 0.248 0.000 0.655 353 G HN 0.838 nan 8.290 nan 0.000 0.533 354 S N -1.690 114.152 115.700 0.237 0.000 2.648 354 S HA 0.645 5.116 4.470 0.001 0.000 0.305 354 S C 0.371 175.143 174.600 0.286 0.000 1.094 354 S CA 0.063 58.353 58.200 0.149 0.000 0.983 354 S CB 0.872 64.114 63.200 0.069 0.000 1.101 354 S HN 0.982 nan 8.310 nan 0.000 0.514 355 Y N -0.872 119.496 120.300 0.114 0.000 4.177 355 Y HA -0.212 4.339 4.550 0.001 0.000 0.227 355 Y C 0.524 176.508 175.900 0.140 0.000 1.154 355 Y CA 0.267 58.434 58.100 0.111 0.000 1.887 355 Y CB -2.370 36.151 38.460 0.101 0.000 1.594 355 Y HN 0.608 nan 8.280 nan 0.000 0.668 356 I N 0.152 120.874 120.570 0.253 0.000 2.692 356 I HA 0.421 4.591 4.170 0.001 0.000 0.284 356 I C 0.697 176.988 176.117 0.291 0.000 1.159 356 I CA 0.427 61.882 61.300 0.258 0.000 1.423 356 I CB 1.211 39.365 38.000 0.256 0.000 1.380 356 I HN 0.227 nan 8.210 nan 0.000 0.580 357 T N 2.033 116.723 114.554 0.227 0.000 2.856 357 T HA 0.658 5.009 4.350 0.001 0.000 0.283 357 T C -0.584 174.153 174.700 0.062 0.000 1.008 357 T CA -0.694 61.526 62.100 0.200 0.000 0.997 357 T CB 2.101 71.029 68.868 0.100 0.000 0.992 357 T HN 0.795 nan 8.240 nan 0.000 0.454 358 E N 1.214 121.419 120.200 0.007 0.000 2.314 358 E HA 0.353 4.703 4.350 0.001 0.000 0.272 358 E C -0.979 175.734 176.600 0.189 0.000 0.884 358 E CA -0.599 55.754 56.400 -0.079 0.000 0.753 358 E CB 2.033 31.436 29.700 -0.494 0.000 1.213 358 E HN 0.720 nan 8.360 nan 0.000 0.432 359 Q N 0.952 120.871 119.800 0.199 0.000 2.354 359 Q HA 0.452 4.793 4.340 0.001 0.000 0.244 359 Q C -0.432 175.773 176.000 0.342 0.000 0.969 359 Q CA -0.378 55.593 55.803 0.281 0.000 0.885 359 Q CB 1.196 30.125 28.738 0.318 0.000 1.241 359 Q HN 0.434 nan 8.270 nan 0.000 0.461 360 S N 1.304 117.120 115.700 0.193 0.000 2.565 360 S HA 0.415 4.886 4.470 0.001 0.000 0.274 360 S C -0.848 173.801 174.600 0.082 0.000 1.309 360 S CA -0.544 57.629 58.200 -0.045 0.000 1.043 360 S CB 0.445 63.532 63.200 -0.189 0.000 0.939 360 S HN 0.375 nan 8.310 nan 0.000 0.504 361 L N 4.861 126.107 121.223 0.039 0.000 2.409 361 L HA 0.765 5.106 4.340 0.001 0.000 0.272 361 L C -0.859 175.892 176.870 -0.198 0.000 0.980 361 L CA -0.675 54.093 54.840 -0.119 0.000 0.826 361 L CB 1.628 43.606 42.059 -0.134 0.000 1.268 361 L HN 0.459 nan 8.230 nan 0.000 0.407 362 V N 2.039 121.750 119.914 -0.338 0.000 2.815 362 V HA 0.784 4.904 4.120 0.001 0.000 0.314 362 V C -1.045 174.905 176.094 -0.239 0.000 1.064 362 V CA -0.681 61.340 62.300 -0.466 0.000 0.952 362 V CB 1.692 33.030 31.823 -0.808 0.000 1.020 362 V HN 0.868 nan 8.190 nan 0.000 0.439 363 F N 4.343 124.069 119.950 -0.373 0.000 2.608 363 F HA 0.866 5.394 4.527 0.001 0.000 0.309 363 F C -0.478 175.174 175.800 -0.247 0.000 1.103 363 F CA -0.250 57.607 58.000 -0.238 0.000 0.954 363 F CB 1.481 40.386 39.000 -0.158 0.000 1.267 363 F HN 1.215 nan 8.300 nan 0.000 0.444 364 C N 2.815 121.466 119.300 -1.080 0.000 3.318 364 C HA 0.811 5.272 4.460 0.001 0.000 0.322 364 C C -1.594 172.787 174.990 -1.014 0.000 1.398 364 C CA -0.692 57.654 59.018 -1.120 0.000 1.339 364 C CB 1.638 28.967 27.740 -0.686 0.000 1.668 364 C HN 0.986 nan 8.230 nan 0.000 0.462 365 Q N 0.650 120.089 119.800 -0.602 0.000 2.351 365 Q HA 0.797 5.137 4.340 0.001 0.000 0.273 365 Q C -0.295 175.715 176.000 0.016 0.000 1.077 365 Q CA -0.265 55.428 55.803 -0.184 0.000 0.843 365 Q CB 2.518 31.144 28.738 -0.186 0.000 1.367 365 Q HN 0.939 nan 8.270 nan 0.000 0.449 366 T N -2.751 111.889 114.554 0.143 0.000 2.916 366 T HA 0.725 5.076 4.350 0.001 0.000 0.292 366 T C -0.729 174.017 174.700 0.077 0.000 1.064 366 T CA -0.747 61.410 62.100 0.096 0.000 1.011 366 T CB 1.248 70.187 68.868 0.119 0.000 1.152 366 T HN 0.270 nan 8.240 nan 0.000 0.510 367 V N 2.257 122.184 119.914 0.022 0.000 2.444 367 V HA 0.439 4.559 4.120 0.001 0.000 0.294 367 V C 0.135 176.230 176.094 0.003 0.000 1.022 367 V CA -0.900 61.407 62.300 0.010 0.000 0.850 367 V CB 1.337 33.155 31.823 -0.008 0.000 0.992 367 V HN 1.040 nan 8.190 nan 0.000 0.426 368 M N 4.545 124.155 119.600 0.017 0.000 2.250 368 M HA 0.131 4.611 4.480 0.001 0.000 0.337 368 M C 0.884 177.184 176.300 -0.001 0.000 1.161 368 M CA 0.718 56.031 55.300 0.022 0.000 1.088 368 M CB 0.711 33.323 32.600 0.020 0.000 1.639 368 M HN 0.927 nan 8.290 nan 0.000 0.447 369 S N 2.376 118.073 115.700 -0.005 0.000 2.573 369 S HA 0.077 4.548 4.470 0.001 0.000 0.277 369 S C 0.981 175.577 174.600 -0.007 0.000 1.346 369 S CA -0.147 58.042 58.200 -0.019 0.000 1.034 369 S CB 0.567 63.751 63.200 -0.027 0.000 0.879 369 S HN 0.804 nan 8.310 nan 0.000 0.528 370 T N 1.857 116.403 114.554 -0.013 0.000 2.759 370 T HA -0.134 4.216 4.350 0.001 0.000 0.269 370 T C 1.636 176.339 174.700 0.004 0.000 1.042 370 T CA 1.869 63.967 62.100 -0.004 0.000 1.140 370 T CB -0.449 68.414 68.868 -0.008 0.000 0.864 370 T HN 0.756 nan 8.240 nan 0.000 0.455 371 E N 0.595 120.793 120.200 -0.002 0.000 2.077 371 E HA -0.071 4.280 4.350 0.001 0.000 0.193 371 E C 2.263 178.876 176.600 0.021 0.000 0.989 371 E CA 0.901 57.304 56.400 0.004 0.000 0.800 371 E CB -0.269 29.427 29.700 -0.008 0.000 0.746 371 E HN 0.440 nan 8.360 nan 0.000 0.452 372 L N 0.692 121.930 121.223 0.024 0.000 2.093 372 L HA -0.181 4.160 4.340 0.001 0.000 0.208 372 L C 2.411 179.318 176.870 0.061 0.000 1.085 372 L CA 0.395 55.264 54.840 0.049 0.000 0.755 372 L CB -0.238 41.850 42.059 0.048 0.000 0.904 372 L HN 0.185 nan 8.230 nan 0.000 0.435 373 I N 0.056 120.649 120.570 0.038 0.000 2.179 373 I HA -0.276 3.895 4.170 0.001 0.000 0.242 373 I C 2.174 178.320 176.117 0.048 0.000 1.088 373 I CA 1.504 62.824 61.300 0.033 0.000 1.357 373 I CB -1.099 36.910 38.000 0.015 0.000 1.051 373 I HN 0.260 nan 8.210 nan 0.000 0.409 374 D N 0.589 121.015 120.400 0.044 0.000 2.149 374 D HA -0.147 4.494 4.640 0.001 0.000 0.198 374 D C 2.375 178.720 176.300 0.074 0.000 0.990 374 D CA 1.643 55.673 54.000 0.050 0.000 0.839 374 D CB -0.174 40.647 40.800 0.034 0.000 0.948 374 D HN 0.382 nan 8.370 nan 0.000 0.460 375 S N 0.110 115.862 115.700 0.087 0.000 2.400 375 S HA -0.149 4.321 4.470 0.001 0.000 0.232 375 S C 2.192 176.937 174.600 0.241 0.000 1.025 375 S CA 1.027 59.309 58.200 0.138 0.000 0.993 375 S CB -0.672 62.600 63.200 0.121 0.000 0.808 375 S HN 0.111 nan 8.310 nan 0.000 0.478 376 V N 3.089 123.125 119.914 0.205 0.000 2.392 376 V HA -0.186 3.935 4.120 0.001 0.000 0.249 376 V C 2.217 178.441 176.094 0.217 0.000 1.059 376 V CA 2.181 64.630 62.300 0.248 0.000 1.051 376 V CB -0.878 31.003 31.823 0.097 0.000 0.658 376 V HN 0.802 nan 8.190 nan 0.000 0.455 377 K N 0.507 120.995 120.400 0.145 0.000 2.437 377 K HA 0.176 4.496 4.320 0.001 0.000 0.205 377 K C 1.684 178.347 176.600 0.105 0.000 1.026 377 K CA 0.698 57.055 56.287 0.116 0.000 1.153 377 K CB 0.084 32.634 32.500 0.083 0.000 0.863 377 K HN 0.445 nan 8.250 nan 0.000 0.502 378 S N 1.051 116.831 115.700 0.132 0.000 2.419 378 S HA -0.190 4.280 4.470 0.001 0.000 0.235 378 S C 1.044 175.663 174.600 0.031 0.000 1.019 378 S CA 1.427 59.666 58.200 0.066 0.000 0.982 378 S CB -0.248 62.972 63.200 0.032 0.000 0.789 378 S HN 0.289 nan 8.310 nan 0.000 0.490 379 D N 0.636 121.066 120.400 0.051 0.000 2.354 379 D HA 0.214 4.855 4.640 0.001 0.000 0.209 379 D C 0.381 176.723 176.300 0.069 0.000 1.015 379 D CA 0.307 54.325 54.000 0.029 0.000 0.867 379 D CB -0.068 40.733 40.800 0.002 0.000 0.933 379 D HN 0.372 nan 8.370 nan 0.000 0.520 380 M N 0.443 120.084 119.600 0.069 0.000 2.242 380 M HA 0.191 4.672 4.480 0.001 0.000 0.344 380 M C 0.350 176.679 176.300 0.048 0.000 1.140 380 M CA 0.303 55.650 55.300 0.078 0.000 1.160 380 M CB 0.752 33.389 32.600 0.062 0.000 1.491 380 M HN -0.318 nan 8.290 nan 0.000 0.459 381 T N 3.768 118.344 114.554 0.036 0.000 2.779 381 T HA 0.692 5.042 4.350 0.001 0.000 0.280 381 T C -0.194 174.487 174.700 -0.032 0.000 0.987 381 T CA -0.380 61.722 62.100 0.004 0.000 0.966 381 T CB 0.726 69.594 68.868 -0.000 0.000 0.933 381 T HN 0.426 nan 8.240 nan 0.000 0.442 382 I N 3.196 123.745 120.570 -0.035 0.000 2.382 382 I HA 0.429 4.600 4.170 0.001 0.000 0.286 382 I C 0.330 176.411 176.117 -0.061 0.000 1.002 382 I CA -0.626 60.625 61.300 -0.081 0.000 1.135 382 I CB 1.308 39.293 38.000 -0.024 0.000 1.288 382 I HN 0.209 nan 8.210 nan 0.000 0.448 383 R N 5.425 125.850 120.500 -0.124 0.000 2.239 383 R HA 0.633 4.973 4.340 0.001 0.000 0.332 383 R C 0.197 176.501 176.300 0.007 0.000 0.988 383 R CA 0.312 56.378 56.100 -0.057 0.000 0.859 383 R CB 0.981 31.237 30.300 -0.073 0.000 1.148 383 R HN 0.949 nan 8.270 nan 0.000 0.482 384 G N 2.147 110.997 108.800 0.083 0.000 2.445 384 G HA2 -0.248 3.713 3.960 0.001 0.000 0.212 384 G HA3 -0.248 3.713 3.960 0.001 0.000 0.212 384 G C -1.051 173.980 174.900 0.219 0.000 1.217 384 G CA -0.271 44.918 45.100 0.148 0.000 1.002 384 G HN 0.586 nan 8.290 nan 0.000 0.574 385 T N 0.035 114.717 114.554 0.214 0.000 2.886 385 T HA 0.687 5.038 4.350 0.001 0.000 0.292 385 T C -3.089 171.533 174.700 -0.130 0.000 1.012 385 T CA -1.260 60.890 62.100 0.084 0.000 0.982 385 T CB 2.472 71.353 68.868 0.021 0.000 1.018 385 T HN 0.515 nan 8.240 nan 0.000 0.451 386 P HA 0.246 nan 4.420 nan 0.000 0.264 386 P C 1.283 178.327 177.300 -0.426 0.000 1.179 386 P CA 1.380 63.922 63.100 -0.929 0.000 0.763 386 P CB 0.164 31.505 31.700 -0.598 0.000 0.806 387 G N 1.520 110.103 108.800 -0.361 0.000 2.299 387 G HA2 -0.231 3.730 3.960 0.001 0.000 0.237 387 G HA3 -0.231 3.730 3.960 0.001 0.000 0.237 387 G C 0.085 174.942 174.900 -0.071 0.000 1.027 387 G CA -0.084 44.924 45.100 -0.154 0.000 0.619 387 G HN 0.587 nan 8.290 nan 0.000 0.513 388 E N 0.512 120.681 120.200 -0.052 0.000 2.391 388 E HA 0.496 4.847 4.350 0.001 0.000 0.255 388 E C 1.212 177.841 176.600 0.049 0.000 1.187 388 E CA -0.690 55.715 56.400 0.009 0.000 0.941 388 E CB 0.597 30.312 29.700 0.025 0.000 1.010 388 E HN 0.030 nan 8.360 nan 0.000 0.458 389 L N 0.890 122.138 121.223 0.042 0.000 2.131 389 L HA -0.131 4.210 4.340 0.001 0.000 0.210 389 L C 2.197 179.105 176.870 0.062 0.000 1.092 389 L CA 1.972 56.838 54.840 0.043 0.000 0.759 389 L CB -1.333 40.742 42.059 0.027 0.000 0.903 389 L HN 0.749 nan 8.230 nan 0.000 0.435 390 T N -5.845 108.755 114.554 0.075 0.000 3.069 390 T HA 0.054 4.405 4.350 0.001 0.000 0.252 390 T C 0.586 175.345 174.700 0.099 0.000 1.053 390 T CA -0.474 61.667 62.100 0.067 0.000 0.964 390 T CB -0.611 68.285 68.868 0.046 0.000 1.005 390 T HN 0.003 nan 8.240 nan 0.000 0.532 391 Y N 2.951 123.250 120.300 -0.002 0.000 2.916 391 Y HA 0.301 4.851 4.550 0.001 0.000 0.344 391 Y C 0.214 176.114 175.900 0.001 0.000 1.282 391 Y CA -0.098 58.001 58.100 -0.001 0.000 1.604 391 Y CB -0.075 38.383 38.460 -0.004 0.000 1.207 391 Y HN 0.193 nan 8.280 nan 0.000 0.561 392 S N 4.748 120.185 115.700 -0.438 0.000 2.557 392 S HA 0.719 5.190 4.470 0.001 0.000 0.291 392 S C -1.653 172.671 174.600 -0.459 0.000 1.116 392 S CA -0.737 57.248 58.200 -0.358 0.000 0.992 392 S CB 0.921 64.025 63.200 -0.159 0.000 1.028 392 S HN 0.434 nan 8.310 nan 0.000 0.484 393 V N 4.433 124.149 119.914 -0.330 0.000 2.407 393 V HA 0.717 4.837 4.120 0.001 0.000 0.291 393 V C -0.010 176.055 176.094 -0.049 0.000 1.018 393 V CA -0.526 61.658 62.300 -0.194 0.000 0.842 393 V CB 1.390 33.118 31.823 -0.157 0.000 0.996 393 V HN 0.998 nan 8.190 nan 0.000 0.426 394 T N 1.853 116.407 114.554 -0.000 0.000 2.883 394 T HA 0.863 5.213 4.350 0.001 0.000 0.301 394 T C -1.046 173.741 174.700 0.146 0.000 1.158 394 T CA -0.736 61.389 62.100 0.041 0.000 1.007 394 T CB 2.328 71.170 68.868 -0.044 0.000 1.186 394 T HN 0.786 nan 8.240 nan 0.000 0.499 395 Y N -1.584 118.707 120.300 -0.014 0.000 2.644 395 Y HA 0.794 5.344 4.550 0.001 0.000 0.338 395 Y C -0.821 175.073 175.900 -0.010 0.000 1.119 395 Y CA -1.344 56.751 58.100 -0.009 0.000 1.060 395 Y CB 0.827 39.290 38.460 0.006 0.000 1.294 395 Y HN 0.653 nan 8.280 nan 0.000 0.472 396 T N 3.822 118.373 114.554 -0.005 0.000 2.753 396 T HA 0.410 4.761 4.350 0.001 0.000 0.297 396 T C -2.781 171.916 174.700 -0.005 0.000 0.981 396 T CA -1.330 60.711 62.100 -0.099 0.000 0.956 396 T CB 0.766 69.620 68.868 -0.024 0.000 0.936 396 T HN 0.366 nan 8.240 nan 0.000 0.463 397 P HA 0.247 nan 4.420 nan 0.000 0.265 397 P C 1.163 178.503 177.300 0.067 0.000 1.193 397 P CA 0.686 63.836 63.100 0.083 0.000 0.765 397 P CB 0.393 32.097 31.700 0.006 0.000 0.823 398 G N 1.864 110.719 108.800 0.092 0.000 2.212 398 G HA2 -0.270 3.691 3.960 0.001 0.000 0.266 398 G HA3 -0.270 3.691 3.960 0.001 0.000 0.266 398 G C 0.515 175.428 174.900 0.022 0.000 0.978 398 G CA 0.053 45.180 45.100 0.046 0.000 0.632 398 G HN 0.870 nan 8.290 nan 0.000 0.537 399 A N 0.762 123.597 122.820 0.025 0.000 2.584 399 A HA 0.525 4.845 4.320 0.001 0.000 0.239 399 A C 1.915 179.490 177.584 -0.015 0.000 1.043 399 A CA 1.499 53.538 52.037 0.004 0.000 0.756 399 A CB 0.096 19.101 19.000 0.009 0.000 0.963 399 A HN 1.899 nan 8.150 nan 0.000 0.511 400 S N 1.979 117.667 115.700 -0.020 0.000 2.402 400 S HA -0.208 4.262 4.470 0.001 0.000 0.233 400 S C 1.462 176.033 174.600 -0.048 0.000 1.030 400 S CA 1.984 60.165 58.200 -0.032 0.000 1.003 400 S CB -1.056 62.129 63.200 -0.025 0.000 0.813 400 S HN 1.329 nan 8.310 nan 0.000 0.477 401 T N -0.885 113.641 114.554 -0.046 0.000 3.148 401 T HA 0.210 4.560 4.350 0.001 0.000 0.253 401 T C 0.355 175.002 174.700 -0.088 0.000 1.134 401 T CA -0.359 61.704 62.100 -0.061 0.000 1.051 401 T CB -0.653 68.187 68.868 -0.046 0.000 0.959 401 T HN 0.226 nan 8.240 nan 0.000 0.525 402 N N 2.111 120.757 118.700 -0.089 0.000 2.483 402 N HA 0.251 4.991 4.740 0.001 0.000 0.264 402 N C 0.744 176.105 175.510 -0.249 0.000 1.197 402 N CA -0.109 52.860 53.050 -0.135 0.000 0.927 402 N CB 1.285 39.716 38.487 -0.093 0.000 1.065 402 N HN 0.205 nan 8.380 nan 0.000 0.461 403 K N 1.001 121.161 120.400 -0.400 0.000 2.366 403 K HA 0.066 4.387 4.320 0.001 0.000 0.198 403 K C -0.112 175.900 176.600 -0.979 0.000 1.044 403 K CA 0.854 56.743 56.287 -0.663 0.000 0.973 403 K CB 0.123 32.151 32.500 -0.787 0.000 0.767 403 K HN 0.549 nan 8.250 nan 0.000 0.475 404 H N -0.869 117.889 119.070 -0.520 0.000 2.747 404 H HA 0.307 4.864 4.556 0.001 0.000 0.371 404 H C -2.492 172.519 175.328 -0.528 0.000 1.161 404 H CA -2.767 52.813 56.048 -0.781 0.000 1.167 404 H CB 1.245 30.148 29.762 -1.432 0.000 1.732 404 H HN -0.154 nan 8.280 nan 0.000 0.544 405 P HA 0.008 nan 4.420 nan 0.000 0.272 405 P C 0.328 177.446 177.300 -0.304 0.000 1.240 405 P CA -0.192 62.732 63.100 -0.295 0.000 0.791 405 P CB 1.308 32.813 31.700 -0.324 0.000 0.978 406 D N 0.507 120.856 120.400 -0.084 0.000 2.116 406 D HA -0.172 4.469 4.640 0.001 0.000 0.193 406 D C 1.895 178.218 176.300 0.038 0.000 0.998 406 D CA 1.473 55.504 54.000 0.050 0.000 0.836 406 D CB -0.607 40.306 40.800 0.189 0.000 0.951 406 D HN 0.615 nan 8.370 nan 0.000 0.449 407 W N 0.211 121.584 121.300 0.121 0.000 2.350 407 W HA -0.160 4.500 4.660 0.001 0.000 0.289 407 W C 1.956 178.547 176.519 0.121 0.000 1.215 407 W CA 0.286 57.697 57.345 0.111 0.000 1.236 407 W CB -1.330 28.189 29.460 0.098 0.000 1.130 407 W HN 0.109 nan 8.180 nan 0.000 0.541 408 W N 3.463 124.295 121.300 -0.780 0.000 2.378 408 W HA -0.164 4.497 4.660 0.001 0.000 0.313 408 W C 1.916 178.168 176.519 -0.446 0.000 1.197 408 W CA 1.718 58.597 57.345 -0.776 0.000 1.304 408 W CB -1.076 27.703 29.460 -1.135 0.000 1.148 408 W HN -0.126 nan 8.180 nan 0.000 0.494 409 N N 1.045 119.684 118.700 -0.101 0.000 2.205 409 N HA -0.214 4.527 4.740 0.001 0.000 0.186 409 N C 1.511 176.734 175.510 -0.478 0.000 1.015 409 N CA 1.992 54.771 53.050 -0.451 0.000 0.862 409 N CB -0.618 37.190 38.487 -1.131 0.000 0.986 409 N HN 0.279 nan 8.380 nan 0.000 0.429 410 E N 1.378 121.440 120.200 -0.229 0.000 2.077 410 E HA -0.071 4.279 4.350 0.001 0.000 0.193 410 E C 1.685 178.333 176.600 0.081 0.000 0.989 410 E CA 1.321 57.781 56.400 0.100 0.000 0.800 410 E CB 0.028 29.860 29.700 0.219 0.000 0.746 410 E HN 0.220 nan 8.360 nan 0.000 0.452 411 K N -0.542 119.890 120.400 0.053 0.000 2.057 411 K HA -0.088 4.232 4.320 0.001 0.000 0.207 411 K C 2.074 178.675 176.600 0.002 0.000 1.049 411 K CA 1.331 57.641 56.287 0.038 0.000 0.931 411 K CB -0.068 32.442 32.500 0.017 0.000 0.714 411 K HN 0.035 nan 8.250 nan 0.000 0.440 412 V N 1.747 121.625 119.914 -0.061 0.000 2.323 412 V HA -0.234 3.886 4.120 0.001 0.000 0.244 412 V C 2.353 178.480 176.094 0.055 0.000 1.041 412 V CA 1.560 63.840 62.300 -0.033 0.000 1.025 412 V CB -0.379 31.409 31.823 -0.059 0.000 0.656 412 V HN 0.338 nan 8.190 nan 0.000 0.451 413 K N 0.413 120.843 120.400 0.050 0.000 2.009 413 K HA -0.260 4.061 4.320 0.001 0.000 0.210 413 K C 2.025 178.681 176.600 0.094 0.000 1.049 413 K CA 2.134 58.480 56.287 0.099 0.000 0.929 413 K CB -0.309 32.314 32.500 0.205 0.000 0.714 413 K HN 0.416 nan 8.250 nan 0.000 0.440 414 N N 0.462 119.224 118.700 0.104 0.000 2.104 414 N HA -0.202 4.538 4.740 0.001 0.000 0.190 414 N C 1.804 177.374 175.510 0.100 0.000 1.024 414 N CA 1.627 54.733 53.050 0.093 0.000 0.853 414 N CB -0.723 37.826 38.487 0.104 0.000 1.008 414 N HN 0.477 nan 8.380 nan 0.000 0.424 415 H N 0.525 119.621 119.070 0.043 0.000 2.321 415 H HA 0.092 4.649 4.556 0.001 0.000 0.300 415 H C 2.096 177.470 175.328 0.077 0.000 1.087 415 H CA 1.735 57.821 56.048 0.063 0.000 1.319 415 H CB -0.185 29.525 29.762 -0.087 0.000 1.379 415 H HN 0.093 nan 8.280 nan 0.000 0.501 416 M N -0.664 118.899 119.600 -0.062 0.000 2.159 416 M HA -0.162 4.319 4.480 0.001 0.000 0.263 416 M C 1.761 178.086 176.300 0.041 0.000 1.063 416 M CA 1.323 56.598 55.300 -0.041 0.000 1.110 416 M CB 0.005 32.659 32.600 0.090 0.000 1.374 416 M HN 0.375 nan 8.290 nan 0.000 0.411 417 M N -0.774 118.846 119.600 0.032 0.000 2.388 417 M HA -0.059 4.422 4.480 0.001 0.000 0.265 417 M C 1.875 178.159 176.300 -0.027 0.000 1.088 417 M CA 1.261 56.595 55.300 0.058 0.000 1.134 417 M CB -0.756 31.863 32.600 0.030 0.000 1.384 417 M HN 0.225 nan 8.290 nan 0.000 0.447 418 Q N -0.524 119.193 119.800 -0.138 0.000 2.398 418 Q HA 0.040 4.380 4.340 0.001 0.000 0.204 418 Q C 0.100 175.752 176.000 -0.580 0.000 0.932 418 Q CA 0.814 56.414 55.803 -0.339 0.000 0.916 418 Q CB 0.414 28.913 28.738 -0.399 0.000 1.024 418 Q HN 0.560 nan 8.270 nan 0.000 0.504 419 H N 0.375 119.370 119.070 -0.124 0.000 2.379 419 H HA 0.254 4.810 4.556 0.001 0.000 0.229 419 H C 0.297 175.540 175.328 -0.141 0.000 1.423 419 H CA -0.070 55.910 56.048 -0.112 0.000 1.375 419 H CB 0.485 30.173 29.762 -0.123 0.000 1.592 419 H HN 0.208 nan 8.280 nan 0.000 0.507 420 Q N 0.657 120.439 119.800 -0.030 0.000 2.378 420 Q HA -0.102 4.238 4.340 0.001 0.000 0.205 420 Q C 1.872 177.816 176.000 -0.092 0.000 0.954 420 Q CA 0.696 56.438 55.803 -0.101 0.000 0.901 420 Q CB 0.424 29.044 28.738 -0.196 0.000 0.981 420 Q HN 0.490 nan 8.270 nan 0.000 0.483 421 E N 1.473 121.667 120.200 -0.011 0.000 2.347 421 E HA -0.133 4.218 4.350 0.001 0.000 0.196 421 E C -0.345 176.286 176.600 0.052 0.000 1.008 421 E CA 0.650 57.059 56.400 0.014 0.000 0.852 421 E CB -0.035 29.692 29.700 0.046 0.000 0.783 421 E HN 0.181 nan 8.360 nan 0.000 0.505 422 D N 1.966 122.414 120.400 0.079 0.000 2.249 422 D HA 0.122 4.763 4.640 0.001 0.000 0.246 422 D C -1.581 174.763 176.300 0.074 0.000 1.114 422 D CA -2.093 51.981 54.000 0.124 0.000 0.854 422 D CB 1.541 42.453 40.800 0.186 0.000 1.132 422 D HN -0.139 nan 8.370 nan 0.000 0.461 423 P HA 0.106 nan 4.420 nan 0.000 0.249 423 P C -0.291 177.048 177.300 0.066 0.000 1.229 423 P CA 0.181 63.316 63.100 0.057 0.000 0.788 423 P CB 0.376 32.102 31.700 0.044 0.000 1.072 424 L N 1.738 123.014 121.223 0.089 0.000 2.334 424 L HA 0.392 4.733 4.340 0.001 0.000 0.276 424 L C -1.543 175.377 176.870 0.083 0.000 1.014 424 L CA -2.271 52.598 54.840 0.048 0.000 0.815 424 L CB 2.793 44.847 42.059 -0.009 0.000 1.268 424 L HN -0.313 nan 8.230 nan 0.000 0.428 425 P HA 0.103 nan 4.420 nan 0.000 0.255 425 P C 0.168 177.358 177.300 -0.183 0.000 1.248 425 P CA 0.448 63.567 63.100 0.032 0.000 0.807 425 P CB 0.401 32.113 31.700 0.020 0.000 1.150 426 I N 2.298 122.655 120.570 -0.354 0.000 2.371 426 I HA 0.236 4.406 4.170 0.001 0.000 0.290 426 I C -2.178 173.423 176.117 -0.859 0.000 1.028 426 I CA -2.800 58.217 61.300 -0.472 0.000 1.345 426 I CB 0.902 38.719 38.000 -0.305 0.000 1.407 426 I HN -0.238 nan 8.210 nan 0.000 0.501 427 P HA 0.040 nan 4.420 nan 0.000 0.269 427 P C 0.291 177.325 177.300 -0.444 0.000 1.209 427 P CA -0.077 62.612 63.100 -0.684 0.000 0.776 427 P CB 0.380 31.935 31.700 -0.242 0.000 0.876 428 F N 0.704 120.515 119.950 -0.232 0.000 2.161 428 F HA -0.124 4.404 4.527 0.001 0.000 0.300 428 F C 1.772 177.520 175.800 -0.087 0.000 1.089 428 F CA 1.579 59.490 58.000 -0.148 0.000 1.282 428 F CB -0.785 38.141 39.000 -0.124 0.000 1.010 428 F HN 0.398 nan 8.300 nan 0.000 0.485 429 E N -0.231 120.039 120.200 0.116 0.000 2.444 429 E HA -0.012 4.338 4.350 0.001 0.000 0.191 429 E C -0.203 176.416 176.600 0.032 0.000 1.041 429 E CA -0.177 56.270 56.400 0.077 0.000 0.883 429 E CB -0.257 29.492 29.700 0.082 0.000 1.024 429 E HN 0.235 nan 8.360 nan 0.000 0.470 430 D N 2.668 123.063 120.400 -0.009 0.000 2.450 430 D HA 0.015 4.655 4.640 0.001 0.000 0.247 430 D C -2.283 174.035 176.300 0.030 0.000 1.162 430 D CA -1.401 52.584 54.000 -0.025 0.000 0.879 430 D CB 0.797 41.539 40.800 -0.096 0.000 1.163 430 D HN -0.131 nan 8.370 nan 0.000 0.472 431 P HA 0.047 nan 4.420 nan 0.000 0.271 431 P C -0.520 176.896 177.300 0.193 0.000 1.233 431 P CA -0.278 62.925 63.100 0.173 0.000 0.789 431 P CB 0.383 32.212 31.700 0.215 0.000 0.951 432 E N 2.027 122.348 120.200 0.202 0.000 2.415 432 E HA 0.056 4.407 4.350 0.001 0.000 0.262 432 E C -2.034 174.591 176.600 0.042 0.000 1.038 432 E CA -1.446 54.993 56.400 0.066 0.000 0.921 432 E CB -0.950 28.733 29.700 -0.027 0.000 0.950 432 E HN 0.370 nan 8.360 nan 0.000 0.438 433 P HA 0.002 nan 4.420 nan 0.000 0.269 433 P C -0.419 176.901 177.300 0.034 0.000 1.209 433 P CA 0.112 63.294 63.100 0.137 0.000 0.776 433 P CB 0.604 32.318 31.700 0.023 0.000 0.876 434 Q N 1.495 121.426 119.800 0.218 0.000 3.484 434 Q HA 0.313 4.653 4.340 0.001 0.000 0.255 434 Q C -0.874 175.236 176.000 0.183 0.000 0.909 434 Q CA -0.434 55.370 55.803 0.002 0.000 0.774 434 Q CB 1.380 29.908 28.738 -0.351 0.000 1.431 434 Q HN 0.217 nan 8.270 nan 0.000 0.423 435 V N 0.688 120.652 119.914 0.084 0.000 2.630 435 V HA 0.732 4.852 4.120 0.001 0.000 0.305 435 V C 0.226 176.343 176.094 0.039 0.000 1.046 435 V CA -0.383 61.962 62.300 0.075 0.000 0.934 435 V CB 2.022 33.824 31.823 -0.036 0.000 1.003 435 V HN 0.496 nan 8.190 nan 0.000 0.451 436 T N 1.610 116.224 114.554 0.100 0.000 2.900 436 T HA 0.526 4.877 4.350 0.001 0.000 0.303 436 T C -0.984 173.664 174.700 -0.086 0.000 1.142 436 T CA -0.327 61.778 62.100 0.008 0.000 1.007 436 T CB 1.932 70.796 68.868 -0.007 0.000 1.156 436 T HN 0.860 nan 8.240 nan 0.000 0.490 437 T N 4.226 118.567 114.554 -0.355 0.000 2.815 437 T HA 0.605 4.955 4.350 0.001 0.000 0.289 437 T C -0.216 174.341 174.700 -0.238 0.000 1.000 437 T CA -0.638 61.090 62.100 -0.620 0.000 0.958 437 T CB -0.097 67.916 68.868 -1.425 0.000 0.944 437 T HN 0.549 nan 8.240 nan 0.000 0.442 438 L N 4.467 125.633 121.223 -0.094 0.000 2.467 438 L HA 0.378 4.719 4.340 0.001 0.000 0.270 438 L C 0.798 177.679 176.870 0.019 0.000 1.205 438 L CA -0.886 53.980 54.840 0.044 0.000 0.828 438 L CB 0.086 42.164 42.059 0.033 0.000 1.101 438 L HN 0.624 nan 8.230 nan 0.000 0.479 439 F N 2.878 122.764 119.950 -0.106 0.000 2.517 439 F HA -0.123 4.404 4.527 0.001 0.000 0.398 439 F C 0.308 175.861 175.800 -0.412 0.000 1.005 439 F CA 0.830 58.675 58.000 -0.258 0.000 1.221 439 F CB 0.102 38.997 39.000 -0.175 0.000 0.936 439 F HN 0.423 nan 8.300 nan 0.000 0.557 440 Q N 6.480 125.780 119.800 -0.833 0.000 2.462 440 Q HA 0.244 4.584 4.340 0.001 0.000 0.285 440 Q C -2.031 173.525 176.000 -0.741 0.000 1.035 440 Q CA -1.720 53.676 55.803 -0.679 0.000 0.799 440 Q CB 1.498 29.703 28.738 -0.889 0.000 1.452 440 Q HN 0.227 nan 8.270 nan 0.000 0.404 441 P HA -0.179 nan 4.420 nan 0.000 0.217 441 P C 1.092 178.177 177.300 -0.359 0.000 1.148 441 P CA 1.835 64.761 63.100 -0.290 0.000 0.828 441 P CB 0.257 31.880 31.700 -0.127 0.000 0.783 442 S N -1.751 113.740 115.700 -0.349 0.000 2.562 442 S HA -0.066 4.405 4.470 0.001 0.000 0.221 442 S C 0.462 174.878 174.600 -0.307 0.000 0.975 442 S CA 0.004 58.074 58.200 -0.217 0.000 0.918 442 S CB -1.225 61.949 63.200 -0.042 0.000 0.772 442 S HN 0.430 nan 8.310 nan 0.000 0.531 443 H N -1.463 117.178 119.070 -0.715 0.000 2.596 443 H HA 0.473 5.029 4.556 0.001 0.000 0.240 443 H C -3.332 170.872 175.328 -1.874 0.000 1.406 443 H CA -1.799 53.443 56.048 -1.342 0.000 1.504 443 H CB 0.371 29.652 29.762 -0.802 0.000 1.688 443 H HN 0.041 nan 8.280 nan 0.000 0.546 444 P HA 0.102 nan 4.420 nan 0.000 0.220 444 P C -1.252 175.375 177.300 -1.122 0.000 1.806 444 P CA 0.189 62.105 63.100 -1.973 0.000 0.976 444 P CB -1.064 30.068 31.700 -0.947 0.000 1.952 445 W N -0.328 120.652 121.300 -0.533 0.000 3.118 445 W HA 0.535 5.196 4.660 0.001 0.000 0.328 445 W C -0.642 175.962 176.519 0.141 0.000 1.239 445 W CA -1.250 56.112 57.345 0.028 0.000 1.176 445 W CB 0.074 29.569 29.460 0.059 0.000 1.433 445 W HN 0.011 nan 8.180 nan 0.000 0.562 446 H N 0.815 120.151 119.070 0.442 0.000 2.505 446 H HA 0.763 5.319 4.556 0.001 0.000 0.355 446 H C -0.187 175.293 175.328 0.253 0.000 1.179 446 H CA 0.413 56.622 56.048 0.269 0.000 1.343 446 H CB 1.521 31.392 29.762 0.182 0.000 1.501 446 H HN 0.572 nan 8.280 nan 0.000 0.569 447 T N 1.558 115.764 114.554 -0.580 0.000 2.909 447 T HA 0.486 4.837 4.350 0.001 0.000 0.299 447 T C -0.868 173.554 174.700 -0.464 0.000 1.073 447 T CA -1.156 60.644 62.100 -0.499 0.000 0.999 447 T CB 1.755 70.207 68.868 -0.693 0.000 1.098 447 T HN 0.662 nan 8.240 nan 0.000 0.477 448 Q N 1.298 121.020 119.800 -0.130 0.000 2.274 448 Q HA 0.548 4.889 4.340 0.001 0.000 0.268 448 Q C -1.306 174.586 176.000 -0.181 0.000 1.015 448 Q CA -0.589 55.043 55.803 -0.285 0.000 0.775 448 Q CB 2.563 31.013 28.738 -0.481 0.000 1.256 448 Q HN 0.689 nan 8.270 nan 0.000 0.442 449 I N 3.785 124.220 120.570 -0.225 0.000 2.466 449 I HA 0.387 4.558 4.170 0.001 0.000 0.279 449 I C -0.368 175.643 176.117 -0.178 0.000 1.033 449 I CA -0.286 60.769 61.300 -0.408 0.000 1.123 449 I CB 0.518 38.142 38.000 -0.626 0.000 1.237 449 I HN 0.757 nan 8.210 nan 0.000 0.460 450 H N 4.078 122.959 119.070 -0.314 0.000 3.001 450 H HA 0.645 5.201 4.556 0.001 0.000 0.266 450 H C -1.237 174.012 175.328 -0.131 0.000 1.532 450 H CA -1.335 54.604 56.048 -0.182 0.000 1.187 450 H CB 1.404 31.085 29.762 -0.134 0.000 1.881 450 H HN 0.134 nan 8.280 nan 0.000 0.643 451 R N 1.572 121.897 120.500 -0.291 0.000 2.514 451 R HA 0.246 4.586 4.340 0.001 0.000 0.296 451 R C -1.565 174.509 176.300 -0.377 0.000 1.012 451 R CA -0.612 55.297 56.100 -0.319 0.000 0.897 451 R CB 1.592 31.826 30.300 -0.110 0.000 1.184 451 R HN 0.856 nan 8.270 nan 0.000 0.440 452 D N 0.959 121.117 120.400 -0.404 0.000 2.506 452 D HA 0.491 5.132 4.640 0.001 0.000 0.254 452 D C -0.132 176.147 176.300 -0.036 0.000 1.089 452 D CA -0.854 53.020 54.000 -0.209 0.000 1.050 452 D CB 0.514 41.216 40.800 -0.163 0.000 1.221 452 D HN 0.374 nan 8.370 nan 0.000 0.589 453 A N -0.458 122.364 122.820 0.003 0.000 2.565 453 A HA 0.377 4.698 4.320 0.001 0.000 0.237 453 A C -0.770 176.889 177.584 0.125 0.000 1.053 453 A CA 0.180 52.271 52.037 0.090 0.000 0.755 453 A CB -0.641 18.437 19.000 0.129 0.000 0.980 453 A HN 0.481 nan 8.150 nan 0.000 0.506 454 F N 1.546 121.447 119.950 -0.080 0.000 2.615 454 F HA 0.457 4.985 4.527 0.001 0.000 0.312 454 F C 0.247 175.884 175.800 -0.273 0.000 1.119 454 F CA -0.119 57.721 58.000 -0.267 0.000 0.979 454 F CB 1.957 40.652 39.000 -0.508 0.000 1.266 454 F HN 0.596 nan 8.300 nan 0.000 0.444 455 S N 5.274 120.466 115.700 -0.847 0.000 2.473 455 S HA 0.406 4.877 4.470 0.001 0.000 0.312 455 S C -1.109 173.209 174.600 -0.470 0.000 1.087 455 S CA -0.308 57.610 58.200 -0.469 0.000 1.077 455 S CB -0.453 62.530 63.200 -0.362 0.000 1.065 455 S HN 0.470 nan 8.310 nan 0.000 0.510 456 Y N 2.930 123.278 120.300 0.080 0.000 2.377 456 Y HA 0.447 4.998 4.550 0.001 0.000 0.330 456 Y C 1.610 177.571 175.900 0.103 0.000 1.108 456 Y CA 0.481 58.720 58.100 0.231 0.000 1.308 456 Y CB 0.466 39.070 38.460 0.240 0.000 1.216 456 Y HN 0.884 nan 8.280 nan 0.000 0.518 457 G N 1.303 110.255 108.800 0.254 0.000 2.720 457 G HA2 0.188 4.148 3.960 0.001 0.000 0.237 457 G HA3 0.188 4.148 3.960 0.001 0.000 0.237 457 G C 0.923 175.916 174.900 0.155 0.000 1.239 457 G CA 0.014 45.209 45.100 0.158 0.000 0.847 457 G HN 0.917 nan 8.290 nan 0.000 0.593 458 A N 0.254 123.132 122.820 0.097 0.000 1.933 458 A HA -0.000 4.320 4.320 0.001 0.000 0.218 458 A C 2.536 180.165 177.584 0.074 0.000 1.175 458 A CA 1.900 53.983 52.037 0.078 0.000 0.628 458 A CB -0.447 18.584 19.000 0.052 0.000 0.814 458 A HN 0.558 nan 8.150 nan 0.000 0.444 459 V N -0.120 119.841 119.914 0.078 0.000 2.379 459 V HA -0.282 3.838 4.120 0.001 0.000 0.245 459 V C 2.595 178.737 176.094 0.079 0.000 1.044 459 V CA 2.083 64.423 62.300 0.067 0.000 1.036 459 V CB -0.878 30.981 31.823 0.060 0.000 0.664 459 V HN 0.635 nan 8.190 nan 0.000 0.453 460 Q N -0.453 119.425 119.800 0.130 0.000 2.096 460 Q HA -0.274 4.067 4.340 0.001 0.000 0.204 460 Q C 2.294 178.328 176.000 0.057 0.000 0.982 460 Q CA 1.584 57.481 55.803 0.157 0.000 0.850 460 Q CB -0.261 28.696 28.738 0.364 0.000 0.901 460 Q HN 0.636 nan 8.270 nan 0.000 0.422 461 Q N -0.115 119.728 119.800 0.071 0.000 2.443 461 Q HA -0.139 4.202 4.340 0.001 0.000 0.213 461 Q C 2.031 178.019 176.000 -0.021 0.000 0.982 461 Q CA 0.832 56.633 55.803 -0.002 0.000 0.894 461 Q CB -0.122 28.644 28.738 0.047 0.000 0.947 461 Q HN 0.229 nan 8.270 nan 0.000 0.480 462 S N -0.166 115.536 115.700 0.003 0.000 2.423 462 S HA -0.055 4.415 4.470 0.001 0.000 0.231 462 S C 0.897 175.486 174.600 -0.018 0.000 1.014 462 S CA 0.293 58.493 58.200 -0.001 0.000 0.965 462 S CB 0.191 63.399 63.200 0.014 0.000 0.785 462 S HN 0.145 nan 8.310 nan 0.000 0.495 463 I N 2.703 123.249 120.570 -0.039 0.000 2.365 463 I HA 0.251 4.422 4.170 0.001 0.000 0.291 463 I C 0.299 176.367 176.117 -0.083 0.000 1.004 463 I CA -0.788 60.482 61.300 -0.049 0.000 1.311 463 I CB 0.858 38.831 38.000 -0.046 0.000 1.401 463 I HN 0.168 nan 8.210 nan 0.000 0.491 464 D N 4.324 124.694 120.400 -0.049 0.000 2.487 464 D HA -0.045 4.595 4.640 0.001 0.000 0.243 464 D C 1.125 177.381 176.300 -0.073 0.000 1.154 464 D CA 0.168 54.144 54.000 -0.040 0.000 0.876 464 D CB 1.173 41.974 40.800 0.003 0.000 1.161 464 D HN 0.627 nan 8.370 nan 0.000 0.478 465 S N 4.347 119.991 115.700 -0.094 0.000 2.447 465 S HA -0.165 4.305 4.470 0.001 0.000 0.233 465 S C 1.705 176.272 174.600 -0.055 0.000 1.006 465 S CA 0.449 58.575 58.200 -0.123 0.000 0.957 465 S CB -0.051 63.083 63.200 -0.109 0.000 0.773 465 S HN 0.557 nan 8.310 nan 0.000 0.507 466 R N 1.059 121.543 120.500 -0.026 0.000 2.170 466 R HA 0.040 4.381 4.340 0.001 0.000 0.242 466 R C 1.831 178.113 176.300 -0.030 0.000 1.145 466 R CA 1.351 57.434 56.100 -0.029 0.000 0.984 466 R CB -0.694 29.579 30.300 -0.046 0.000 0.869 466 R HN 0.447 nan 8.270 nan 0.000 0.455 467 L N 0.339 121.545 121.223 -0.029 0.000 2.418 467 L HA 0.092 4.432 4.340 0.001 0.000 0.218 467 L C 0.779 177.648 176.870 -0.002 0.000 1.125 467 L CA 0.223 55.054 54.840 -0.016 0.000 0.835 467 L CB 0.009 42.057 42.059 -0.017 0.000 0.953 467 L HN 0.072 nan 8.230 nan 0.000 0.454 468 I N 0.166 120.728 120.570 -0.013 0.000 2.396 468 I HA 0.231 4.402 4.170 0.001 0.000 0.292 468 I C -0.569 175.562 176.117 0.023 0.000 0.999 468 I CA -0.338 60.968 61.300 0.009 0.000 1.310 468 I CB 1.723 39.714 38.000 -0.015 0.000 1.404 468 I HN -0.292 nan 8.210 nan 0.000 0.496 469 V N 4.894 124.842 119.914 0.057 0.000 2.709 469 V HA 0.314 4.435 4.120 0.001 0.000 0.308 469 V C -0.794 175.297 176.094 -0.004 0.000 1.062 469 V CA -0.872 61.424 62.300 -0.007 0.000 0.901 469 V CB 2.129 33.950 31.823 -0.002 0.000 1.003 469 V HN 0.586 nan 8.190 nan 0.000 0.425 470 D N 2.486 122.813 120.400 -0.121 0.000 2.264 470 D HA 0.452 5.092 4.640 0.001 0.000 0.249 470 D C -0.987 175.227 176.300 -0.144 0.000 1.070 470 D CA 0.111 54.075 54.000 -0.060 0.000 0.912 470 D CB 1.265 42.035 40.800 -0.051 0.000 1.193 470 D HN 0.443 nan 8.370 nan 0.000 0.427 471 W N 1.188 122.452 121.300 -0.061 0.000 2.619 471 W HA 0.435 5.095 4.660 0.001 0.000 0.327 471 W C 0.211 176.751 176.519 0.036 0.000 1.027 471 W CA -0.841 56.504 57.345 -0.000 0.000 1.233 471 W CB 1.245 30.587 29.460 -0.198 0.000 1.370 471 W HN -0.079 nan 8.180 nan 0.000 0.453 472 R N 2.983 123.690 120.500 0.346 0.000 2.451 472 R HA 0.509 4.850 4.340 0.001 0.000 0.307 472 R C -1.509 174.913 176.300 0.203 0.000 0.965 472 R CA -0.804 55.379 56.100 0.138 0.000 0.865 472 R CB 1.433 31.807 30.300 0.123 0.000 1.174 472 R HN 0.176 nan 8.270 nan 0.000 0.455 473 F N 3.212 122.966 119.950 -0.326 0.000 2.495 473 F HA 0.503 5.030 4.527 0.001 0.000 0.327 473 F C -0.345 175.303 175.800 -0.254 0.000 1.103 473 F CA -1.583 56.320 58.000 -0.161 0.000 0.949 473 F CB 1.153 40.042 39.000 -0.185 0.000 1.142 473 F HN 0.289 nan 8.300 nan 0.000 0.457 474 F N 1.228 121.357 119.950 0.298 0.000 2.449 474 F HA 0.654 5.182 4.527 0.001 0.000 0.342 474 F C 0.644 176.650 175.800 0.343 0.000 1.127 474 F CA -1.224 56.955 58.000 0.299 0.000 0.975 474 F CB 1.339 40.564 39.000 0.376 0.000 1.146 474 F HN 0.510 nan 8.300 nan 0.000 0.444 475 G N 2.150 111.196 108.800 0.410 0.000 2.451 475 G HA2 0.596 4.557 3.960 0.001 0.000 0.303 475 G HA3 0.596 4.557 3.960 0.001 0.000 0.303 475 G C -0.746 174.343 174.900 0.315 0.000 1.166 475 G CA -1.058 44.270 45.100 0.379 0.000 0.884 475 G HN 0.729 nan 8.290 nan 0.000 0.514 476 R N -0.614 120.065 120.500 0.297 0.000 2.404 476 R HA 0.633 4.974 4.340 0.001 0.000 0.291 476 R C -0.983 175.406 176.300 0.148 0.000 1.025 476 R CA -0.520 55.670 56.100 0.150 0.000 0.991 476 R CB 1.207 31.605 30.300 0.164 0.000 1.053 476 R HN 0.264 nan 8.270 nan 0.000 0.479 477 T N 2.059 116.662 114.554 0.081 0.000 2.792 477 T HA 0.114 4.465 4.350 0.001 0.000 0.280 477 T C -0.754 174.020 174.700 0.123 0.000 0.990 477 T CA -0.626 61.578 62.100 0.174 0.000 0.960 477 T CB 1.378 70.423 68.868 0.294 0.000 0.939 477 T HN 0.681 nan 8.240 nan 0.000 0.439 478 E N 4.160 124.438 120.200 0.130 0.000 2.415 478 E HA 0.111 4.462 4.350 0.001 0.000 0.263 478 E C -2.272 174.402 176.600 0.124 0.000 0.995 478 E CA -1.534 54.932 56.400 0.111 0.000 0.915 478 E CB 0.452 30.208 29.700 0.094 0.000 0.951 478 E HN 0.172 nan 8.360 nan 0.000 0.449 479 P HA 0.070 nan 4.420 nan 0.000 0.271 479 P C -1.212 176.231 177.300 0.239 0.000 1.233 479 P CA 0.252 63.488 63.100 0.226 0.000 0.764 479 P CB 0.560 32.421 31.700 0.267 0.000 0.825 480 K N 2.655 123.127 120.400 0.120 0.000 2.427 480 K HA 0.147 4.467 4.320 0.001 0.000 0.252 480 K C 0.895 177.295 176.600 -0.334 0.000 0.931 480 K CA -0.628 55.643 56.287 -0.026 0.000 0.793 480 K CB 2.316 34.771 32.500 -0.075 0.000 1.211 480 K HN 0.430 nan 8.250 nan 0.000 0.426 481 E N 2.310 122.140 120.200 -0.617 0.000 2.153 481 E HA -0.208 4.142 4.350 0.001 0.000 0.194 481 E C 1.009 177.339 176.600 -0.450 0.000 0.988 481 E CA 1.472 57.249 56.400 -1.039 0.000 0.811 481 E CB 0.449 29.729 29.700 -0.701 0.000 0.746 481 E HN 0.557 nan 8.360 nan 0.000 0.466 482 E N 0.471 120.514 120.200 -0.262 0.000 2.268 482 E HA -0.128 4.222 4.350 0.001 0.000 0.195 482 E C 0.046 176.577 176.600 -0.114 0.000 0.995 482 E CA 0.362 56.669 56.400 -0.156 0.000 0.836 482 E CB -0.361 29.266 29.700 -0.122 0.000 0.763 482 E HN 0.098 nan 8.360 nan 0.000 0.491 483 N N 2.075 120.694 118.700 -0.134 0.000 2.420 483 N HA 0.161 4.901 4.740 0.001 0.000 0.262 483 N C -0.631 174.936 175.510 0.096 0.000 1.144 483 N CA 0.243 53.272 53.050 -0.035 0.000 0.952 483 N CB 1.082 39.508 38.487 -0.100 0.000 1.081 483 N HN 0.133 nan 8.380 nan 0.000 0.480 484 K N 1.043 121.557 120.400 0.190 0.000 2.435 484 K HA 0.499 4.820 4.320 0.001 0.000 0.251 484 K C -1.127 175.627 176.600 0.256 0.000 0.954 484 K CA -0.934 55.485 56.287 0.220 0.000 0.820 484 K CB 2.318 34.951 32.500 0.221 0.000 1.292 484 K HN 0.186 nan 8.250 nan 0.000 0.436 485 L N 3.351 124.671 121.223 0.162 0.000 2.325 485 L HA 0.578 4.919 4.340 0.001 0.000 0.281 485 L C -1.320 175.484 176.870 -0.110 0.000 1.004 485 L CA -0.107 54.658 54.840 -0.125 0.000 0.823 485 L CB 0.615 42.603 42.059 -0.119 0.000 1.236 485 L HN 0.721 nan 8.230 nan 0.000 0.415 486 W N 3.553 124.575 121.300 -0.464 0.000 3.021 486 W HA 0.686 5.347 4.660 0.001 0.000 0.337 486 W C -2.101 173.988 176.519 -0.716 0.000 1.171 486 W CA -1.247 55.891 57.345 -0.345 0.000 1.060 486 W CB 0.898 30.299 29.460 -0.098 0.000 1.472 486 W HN 0.363 nan 8.180 nan 0.000 0.594 487 F N 1.357 121.498 119.950 0.319 0.000 2.547 487 F HA 0.330 4.857 4.527 0.001 0.000 0.316 487 F C 0.743 176.695 175.800 0.254 0.000 1.121 487 F CA -0.964 57.100 58.000 0.108 0.000 0.911 487 F CB 2.074 41.118 39.000 0.073 0.000 1.179 487 F HN 0.256 nan 8.300 nan 0.000 0.443 488 S N 1.045 116.881 115.700 0.226 0.000 2.568 488 S HA 0.020 4.490 4.470 0.001 0.000 0.282 488 S C 0.819 175.572 174.600 0.254 0.000 1.338 488 S CA -0.368 58.001 58.200 0.281 0.000 1.045 488 S CB 0.373 63.644 63.200 0.118 0.000 0.873 488 S HN 0.714 nan 8.310 nan 0.000 0.516 489 D N 2.677 123.215 120.400 0.231 0.000 2.340 489 D HA 0.130 4.771 4.640 0.001 0.000 0.220 489 D C 1.004 177.369 176.300 0.108 0.000 1.039 489 D CA 0.520 54.608 54.000 0.148 0.000 0.866 489 D CB 0.210 41.080 40.800 0.115 0.000 0.913 489 D HN 0.367 nan 8.370 nan 0.000 0.523 490 K N -0.454 120.014 120.400 0.113 0.000 2.550 490 K HA 0.167 4.488 4.320 0.001 0.000 0.205 490 K C 0.047 176.691 176.600 0.073 0.000 1.429 490 K CA -0.128 56.209 56.287 0.083 0.000 0.997 490 K CB 1.289 33.835 32.500 0.078 0.000 1.328 490 K HN 0.044 nan 8.250 nan 0.000 0.546 491 I N 3.302 123.919 120.570 0.078 0.000 2.428 491 I HA 0.107 4.277 4.170 0.001 0.000 0.289 491 I C 0.690 176.845 176.117 0.062 0.000 1.019 491 I CA 0.043 61.377 61.300 0.057 0.000 1.351 491 I CB 0.933 38.955 38.000 0.037 0.000 1.412 491 I HN 0.092 nan 8.210 nan 0.000 0.513 492 T N 1.315 115.903 114.554 0.055 0.000 2.932 492 T HA 0.555 4.906 4.350 0.001 0.000 0.289 492 T C -0.248 174.490 174.700 0.063 0.000 1.039 492 T CA -0.927 61.213 62.100 0.066 0.000 1.024 492 T CB 2.253 71.156 68.868 0.058 0.000 1.090 492 T HN 0.557 nan 8.240 nan 0.000 0.496 493 D N 0.816 121.271 120.400 0.090 0.000 2.440 493 D HA 0.414 5.054 4.640 0.001 0.000 0.269 493 D C 1.588 177.931 176.300 0.072 0.000 1.249 493 D CA -0.400 53.659 54.000 0.099 0.000 1.055 493 D CB -0.036 40.860 40.800 0.161 0.000 1.104 493 D HN 0.633 nan 8.370 nan 0.000 0.561 494 A N -1.308 121.545 122.820 0.055 0.000 2.067 494 A HA -0.108 4.213 4.320 0.001 0.000 0.219 494 A C 1.316 178.740 177.584 -0.267 0.000 1.158 494 A CA 0.803 52.774 52.037 -0.111 0.000 0.661 494 A CB -0.977 17.914 19.000 -0.182 0.000 0.801 494 A HN 0.554 nan 8.150 nan 0.000 0.452 495 Y N -0.831 119.484 120.300 0.024 0.000 2.583 495 Y HA 0.214 4.764 4.550 0.001 0.000 0.294 495 Y C 0.783 176.706 175.900 0.038 0.000 1.170 495 Y CA -0.118 58.000 58.100 0.030 0.000 1.265 495 Y CB -0.579 37.881 38.460 0.001 0.000 1.119 495 Y HN 0.442 nan 8.280 nan 0.000 0.522 496 N N -0.318 118.453 118.700 0.117 0.000 2.714 496 N HA -0.180 4.560 4.740 0.001 0.000 0.250 496 N C -0.667 174.894 175.510 0.084 0.000 1.117 496 N CA 0.614 53.712 53.050 0.080 0.000 0.719 496 N CB -0.500 38.016 38.487 0.049 0.000 1.081 496 N HN 0.158 nan 8.380 nan 0.000 0.557 497 M N -0.270 119.395 119.600 0.109 0.000 2.478 497 M HA 0.417 4.898 4.480 0.001 0.000 0.327 497 M C -2.112 174.251 176.300 0.105 0.000 1.187 497 M CA -2.006 53.345 55.300 0.085 0.000 1.022 497 M CB 0.634 33.279 32.600 0.074 0.000 1.629 497 M HN -0.257 nan 8.290 nan 0.000 0.461 498 P HA -0.004 nan 4.420 nan 0.000 0.264 498 P C -0.634 176.821 177.300 0.259 0.000 1.193 498 P CA 0.043 63.239 63.100 0.160 0.000 0.763 498 P CB 0.247 32.044 31.700 0.161 0.000 0.810 499 Q N 6.810 126.710 119.800 0.166 0.000 2.286 499 Q HA 0.167 4.508 4.340 0.001 0.000 0.267 499 Q C -2.260 173.705 176.000 -0.058 0.000 1.028 499 Q CA -1.979 53.869 55.803 0.074 0.000 0.901 499 Q CB -0.241 28.492 28.738 -0.008 0.000 1.183 499 Q HN 0.287 nan 8.270 nan 0.000 0.392 500 P HA 0.107 nan 4.420 nan 0.000 0.271 500 P C -1.043 175.763 177.300 -0.823 0.000 1.216 500 P CA -0.107 62.565 63.100 -0.714 0.000 0.776 500 P CB 1.000 32.379 31.700 -0.534 0.000 0.881 501 T N 2.782 116.618 114.554 -1.197 0.000 2.971 501 T HA 0.490 4.840 4.350 0.001 0.000 0.304 501 T C -0.715 173.330 174.700 -1.092 0.000 1.038 501 T CA -0.108 61.301 62.100 -1.152 0.000 1.007 501 T CB 0.463 68.283 68.868 -1.746 0.000 1.055 501 T HN 0.042 nan 8.240 nan 0.000 0.451 502 F N 2.013 121.692 119.950 -0.452 0.000 2.422 502 F HA 0.530 5.057 4.527 0.001 0.000 0.333 502 F C 0.601 176.359 175.800 -0.071 0.000 1.095 502 F CA -0.936 56.928 58.000 -0.228 0.000 1.038 502 F CB 1.224 40.132 39.000 -0.153 0.000 1.156 502 F HN 0.398 nan 8.300 nan 0.000 0.483 503 D N 3.524 124.103 120.400 0.299 0.000 2.408 503 D HA 0.219 4.859 4.640 0.001 0.000 0.261 503 D C -1.762 174.674 176.300 0.227 0.000 1.190 503 D CA -0.082 54.076 54.000 0.264 0.000 0.910 503 D CB 0.296 41.288 40.800 0.320 0.000 1.097 503 D HN 0.291 nan 8.370 nan 0.000 0.522 504 F N 3.211 123.156 119.950 -0.008 0.000 2.561 504 F HA 0.569 5.097 4.527 0.001 0.000 0.313 504 F C -1.106 174.584 175.800 -0.184 0.000 1.126 504 F CA -0.612 57.313 58.000 -0.125 0.000 0.918 504 F CB 1.390 40.246 39.000 -0.240 0.000 1.199 504 F HN 0.017 nan 8.300 nan 0.000 0.444 505 R N 4.271 124.256 120.500 -0.857 0.000 2.725 505 R HA 0.363 4.703 4.340 0.001 0.000 0.277 505 R C -1.611 174.059 176.300 -1.051 0.000 0.987 505 R CA -0.972 54.740 56.100 -0.647 0.000 0.901 505 R CB 1.848 31.982 30.300 -0.276 0.000 1.207 505 R HN 0.571 nan 8.270 nan 0.000 0.463 506 F N 2.703 122.440 119.950 -0.354 0.000 2.578 506 F HA 0.158 4.685 4.527 0.001 0.000 0.381 506 F C -1.338 174.337 175.800 -0.209 0.000 1.069 506 F CA -1.099 56.777 58.000 -0.206 0.000 1.231 506 F CB -0.143 38.849 39.000 -0.013 0.000 1.086 506 F HN 0.136 nan 8.300 nan 0.000 0.564 507 P HA 0.127 nan 4.420 nan 0.000 0.266 507 P C -0.589 176.722 177.300 0.017 0.000 1.195 507 P CA -0.159 62.917 63.100 -0.039 0.000 0.768 507 P CB 0.544 32.234 31.700 -0.016 0.000 0.838 508 A N 2.892 125.709 122.820 -0.006 0.000 2.429 508 A HA 0.522 4.843 4.320 0.001 0.000 0.242 508 A C 1.186 178.782 177.584 0.020 0.000 1.088 508 A CA 0.813 52.853 52.037 0.006 0.000 0.784 508 A CB -1.048 17.949 19.000 -0.006 0.000 1.038 508 A HN 0.830 nan 8.150 nan 0.000 0.501 509 G N 0.089 108.903 108.800 0.024 0.000 2.498 509 G HA2 -0.286 3.675 3.960 0.001 0.000 0.251 509 G HA3 -0.286 3.675 3.960 0.001 0.000 0.251 509 G C 1.073 176.003 174.900 0.049 0.000 1.170 509 G CA 0.864 45.984 45.100 0.034 0.000 0.944 509 G HN 1.073 nan 8.290 nan 0.000 0.567 510 R N -0.206 120.330 120.500 0.060 0.000 2.091 510 R HA -0.079 4.262 4.340 0.001 0.000 0.238 510 R C 2.814 179.172 176.300 0.097 0.000 1.136 510 R CA 2.717 58.863 56.100 0.077 0.000 0.959 510 R CB -0.882 29.466 30.300 0.080 0.000 0.856 510 R HN 0.617 nan 8.270 nan 0.000 0.437 511 T N 0.036 114.650 114.554 0.100 0.000 2.684 511 T HA -0.106 4.245 4.350 0.001 0.000 0.267 511 T C 1.911 176.668 174.700 0.095 0.000 1.036 511 T CA 1.837 64.013 62.100 0.126 0.000 1.148 511 T CB -0.161 68.801 68.868 0.157 0.000 0.863 511 T HN 0.286 nan 8.240 nan 0.000 0.436 512 S N 0.608 116.347 115.700 0.065 0.000 2.371 512 S HA -0.032 4.439 4.470 0.001 0.000 0.224 512 S C 2.011 176.623 174.600 0.020 0.000 1.029 512 S CA 0.968 59.176 58.200 0.013 0.000 0.978 512 S CB -0.195 63.007 63.200 0.003 0.000 0.833 512 S HN 0.511 nan 8.310 nan 0.000 0.466 513 K N 1.411 121.841 120.400 0.049 0.000 2.032 513 K HA -0.153 4.167 4.320 0.001 0.000 0.209 513 K C 1.878 178.541 176.600 0.104 0.000 1.048 513 K CA 1.545 57.870 56.287 0.065 0.000 0.927 513 K CB -0.120 32.422 32.500 0.071 0.000 0.712 513 K HN 0.361 nan 8.250 nan 0.000 0.441 514 E N -0.262 120.025 120.200 0.145 0.000 2.107 514 E HA -0.131 4.220 4.350 0.001 0.000 0.191 514 E C 1.963 178.679 176.600 0.194 0.000 0.982 514 E CA 0.769 57.321 56.400 0.254 0.000 0.809 514 E CB -0.026 29.848 29.700 0.290 0.000 0.756 514 E HN 0.459 nan 8.360 nan 0.000 0.459 515 A N 1.432 124.324 122.820 0.120 0.000 1.902 515 A HA -0.230 4.090 4.320 0.001 0.000 0.217 515 A C 2.071 179.738 177.584 0.137 0.000 1.181 515 A CA 1.704 53.804 52.037 0.106 0.000 0.623 515 A CB -0.339 18.662 19.000 0.002 0.000 0.818 515 A HN 0.120 nan 8.150 nan 0.000 0.443 516 E N 0.560 120.820 120.200 0.100 0.000 2.072 516 E HA -0.159 4.191 4.350 0.001 0.000 0.191 516 E C 1.314 177.911 176.600 -0.005 0.000 0.985 516 E CA 1.507 57.968 56.400 0.102 0.000 0.801 516 E CB -0.330 29.398 29.700 0.047 0.000 0.750 516 E HN 0.503 nan 8.360 nan 0.000 0.452 517 D N -0.121 120.280 120.400 0.001 0.000 2.158 517 D HA -0.203 4.438 4.640 0.001 0.000 0.197 517 D C 1.895 177.975 176.300 -0.366 0.000 0.995 517 D CA 1.345 55.330 54.000 -0.024 0.000 0.846 517 D CB -0.315 40.611 40.800 0.209 0.000 0.941 517 D HN 0.344 nan 8.370 nan 0.000 0.456 518 M N -0.432 118.758 119.600 -0.683 0.000 2.099 518 M HA -0.174 4.306 4.480 0.001 0.000 0.262 518 M C 2.052 177.934 176.300 -0.696 0.000 1.067 518 M CA 1.166 55.685 55.300 -1.302 0.000 1.124 518 M CB -0.011 32.082 32.600 -0.845 0.000 1.353 518 M HN -0.032 nan 8.290 nan 0.000 0.410 519 M N 0.568 119.887 119.600 -0.469 0.000 2.082 519 M HA -0.182 4.298 4.480 0.001 0.000 0.258 519 M C 1.770 177.850 176.300 -0.368 0.000 1.069 519 M CA 2.503 57.518 55.300 -0.476 0.000 1.102 519 M CB -1.021 31.362 32.600 -0.362 0.000 1.336 519 M HN 0.301 nan 8.290 nan 0.000 0.404 520 T N -0.036 114.375 114.554 -0.240 0.000 2.708 520 T HA -0.172 4.178 4.350 0.001 0.000 0.266 520 T C 1.496 176.118 174.700 -0.129 0.000 1.037 520 T CA 1.818 63.830 62.100 -0.145 0.000 1.146 520 T CB -0.634 68.196 68.868 -0.063 0.000 0.865 520 T HN 0.551 nan 8.240 nan 0.000 0.435 521 D N 0.556 120.879 120.400 -0.129 0.000 2.123 521 D HA -0.100 4.541 4.640 0.001 0.000 0.196 521 D C 2.066 178.351 176.300 -0.025 0.000 0.992 521 D CA 0.981 55.011 54.000 0.050 0.000 0.833 521 D CB -0.221 40.715 40.800 0.228 0.000 0.954 521 D HN 0.298 nan 8.370 nan 0.000 0.455 522 M N -0.516 118.824 119.600 -0.433 0.000 2.117 522 M HA -0.173 4.307 4.480 0.001 0.000 0.262 522 M C 1.943 177.926 176.300 -0.528 0.000 1.065 522 M CA 1.339 56.095 55.300 -0.907 0.000 1.114 522 M CB -0.153 31.629 32.600 -1.363 0.000 1.361 522 M HN 0.204 nan 8.290 nan 0.000 0.408 523 C N -0.346 118.745 119.300 -0.349 0.000 2.429 523 C HA -0.108 4.352 4.460 0.001 0.000 0.277 523 C C 2.670 177.570 174.990 -0.150 0.000 1.262 523 C CA 0.850 59.775 59.018 -0.155 0.000 1.733 523 C CB -0.988 26.708 27.740 -0.073 0.000 2.010 523 C HN 0.501 nan 8.230 nan 0.000 0.483 524 V N 0.483 120.337 119.914 -0.100 0.000 2.307 524 V HA -0.271 3.849 4.120 0.001 0.000 0.245 524 V C 2.398 178.475 176.094 -0.029 0.000 1.045 524 V CA 2.205 64.480 62.300 -0.041 0.000 1.024 524 V CB -0.634 31.214 31.823 0.042 0.000 0.651 524 V HN 0.583 nan 8.190 nan 0.000 0.449 525 M N 0.670 120.291 119.600 0.034 0.000 2.132 525 M HA -0.154 4.326 4.480 0.001 0.000 0.263 525 M C 2.449 178.634 176.300 -0.191 0.000 1.065 525 M CA 2.223 57.618 55.300 0.158 0.000 1.122 525 M CB -0.172 32.692 32.600 0.440 0.000 1.365 525 M HN 0.559 nan 8.290 nan 0.000 0.411 526 S N 0.514 115.773 115.700 -0.735 0.000 2.399 526 S HA -0.055 4.416 4.470 0.001 0.000 0.231 526 S C 1.986 176.212 174.600 -0.624 0.000 1.022 526 S CA 0.965 58.329 58.200 -1.394 0.000 0.983 526 S CB -0.854 61.283 63.200 -1.771 0.000 0.803 526 S HN 0.568 nan 8.310 nan 0.000 0.480 527 A N 2.135 124.688 122.820 -0.444 0.000 2.070 527 A HA -0.026 4.294 4.320 0.001 0.000 0.220 527 A C 2.143 179.610 177.584 -0.196 0.000 1.159 527 A CA 1.371 53.203 52.037 -0.342 0.000 0.656 527 A CB -0.575 18.246 19.000 -0.298 0.000 0.800 527 A HN 0.637 nan 8.150 nan 0.000 0.453 528 K N -0.595 119.736 120.400 -0.114 0.000 2.283 528 K HA -0.014 4.307 4.320 0.001 0.000 0.202 528 K C 1.173 177.773 176.600 0.000 0.000 1.048 528 K CA 0.909 57.174 56.287 -0.036 0.000 0.948 528 K CB -0.035 32.483 32.500 0.030 0.000 0.742 528 K HN 0.433 nan 8.250 nan 0.000 0.458 529 I N -0.913 119.671 120.570 0.023 0.000 3.172 529 I HA 0.161 4.331 4.170 0.001 0.000 0.278 529 I C 1.120 177.252 176.117 0.025 0.000 1.174 529 I CA 0.554 61.910 61.300 0.093 0.000 1.445 529 I CB -0.005 38.184 38.000 0.315 0.000 1.175 529 I HN 0.106 nan 8.210 nan 0.000 0.447 530 G N -0.524 108.240 108.800 -0.060 0.000 2.356 530 G HA2 0.475 4.435 3.960 0.001 0.000 0.294 530 G HA3 0.475 4.435 3.960 0.001 0.000 0.294 530 G C -0.759 173.993 174.900 -0.247 0.000 1.423 530 G CA -0.130 44.907 45.100 -0.105 0.000 0.806 530 G HN 0.273 nan 8.290 nan 0.000 0.527 531 G N -1.153 107.492 108.800 -0.259 0.000 2.562 531 G HA2 0.568 4.528 3.960 0.001 0.000 0.275 531 G HA3 0.568 4.528 3.960 0.001 0.000 0.275 531 G C -0.293 174.392 174.900 -0.358 0.000 1.196 531 G CA -0.561 44.278 45.100 -0.435 0.000 0.908 531 G HN 0.433 nan 8.290 nan 0.000 0.524 532 F N -0.786 119.065 119.950 -0.165 0.000 2.553 532 F HA 0.218 4.746 4.527 0.001 0.000 0.356 532 F C 0.678 176.413 175.800 -0.108 0.000 1.142 532 F CA -0.763 57.133 58.000 -0.174 0.000 1.322 532 F CB 0.626 39.513 39.000 -0.189 0.000 1.126 532 F HN 0.165 nan 8.300 nan 0.000 0.599 533 L N 5.559 126.848 121.223 0.110 0.000 2.281 533 L HA 0.451 4.791 4.340 0.001 0.000 0.285 533 L C -2.471 174.442 176.870 0.072 0.000 1.074 533 L CA -2.070 52.809 54.840 0.065 0.000 0.817 533 L CB 0.204 42.297 42.059 0.056 0.000 1.168 533 L HN 0.269 nan 8.230 nan 0.000 0.434 534 P HA 0.224 nan 4.420 nan 0.000 0.266 534 P C 0.626 177.972 177.300 0.078 0.000 1.195 534 P CA 1.009 64.147 63.100 0.062 0.000 0.768 534 P CB 0.727 32.458 31.700 0.052 0.000 0.838 535 G N 1.744 110.585 108.800 0.068 0.000 2.241 535 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 535 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 535 G C 0.535 175.511 174.900 0.126 0.000 0.998 535 G CA 0.268 45.428 45.100 0.099 0.000 0.621 535 G HN 0.531 nan 8.290 nan 0.000 0.519 536 S N 0.975 116.722 115.700 0.077 0.000 2.474 536 S HA 0.523 4.994 4.470 0.001 0.000 0.224 536 S C 0.461 174.961 174.600 -0.167 0.000 1.209 536 S CA -0.549 57.672 58.200 0.035 0.000 1.212 536 S CB 0.217 63.408 63.200 -0.015 0.000 1.137 536 S HN 0.479 nan 8.310 nan 0.000 0.446 537 L N 2.353 123.479 121.223 -0.162 0.000 2.467 537 L HA 0.283 4.623 4.340 0.001 0.000 0.270 537 L C -2.160 174.413 176.870 -0.494 0.000 1.205 537 L CA -1.991 52.629 54.840 -0.365 0.000 0.828 537 L CB -0.201 41.710 42.059 -0.246 0.000 1.101 537 L HN 0.065 nan 8.230 nan 0.000 0.479 538 P HA -0.004 nan 4.420 nan 0.000 0.264 538 P C -1.270 175.778 177.300 -0.419 0.000 1.193 538 P CA 0.139 62.825 63.100 -0.689 0.000 0.763 538 P CB 0.385 31.580 31.700 -0.842 0.000 0.810 539 Q N 1.625 121.220 119.800 -0.342 0.000 2.472 539 Q HA 0.453 4.793 4.340 0.001 0.000 0.281 539 Q C -1.444 174.387 176.000 -0.282 0.000 0.997 539 Q CA -0.860 54.822 55.803 -0.203 0.000 0.828 539 Q CB 0.629 29.332 28.738 -0.058 0.000 1.443 539 Q HN 0.068 nan 8.270 nan 0.000 0.390 540 F N 1.751 121.640 119.950 -0.102 0.000 2.495 540 F HA 0.237 4.764 4.527 0.001 0.000 0.365 540 F C 0.583 176.347 175.800 -0.060 0.000 1.090 540 F CA -0.216 57.725 58.000 -0.098 0.000 1.235 540 F CB 0.774 39.704 39.000 -0.116 0.000 1.119 540 F HN 0.431 nan 8.300 nan 0.000 0.562 541 M N 2.136 121.785 119.600 0.082 0.000 2.241 541 M HA 0.083 4.563 4.480 0.001 0.000 0.335 541 M C 0.380 176.723 176.300 0.071 0.000 1.122 541 M CA -0.469 54.852 55.300 0.036 0.000 1.164 541 M CB 0.232 32.811 32.600 -0.034 0.000 1.459 541 M HN 0.603 nan 8.290 nan 0.000 0.461 542 E N 3.290 123.507 120.200 0.029 0.000 2.502 542 E HA 0.023 4.373 4.350 0.001 0.000 0.261 542 E C -2.204 174.419 176.600 0.037 0.000 0.974 542 E CA -1.199 55.218 56.400 0.028 0.000 0.936 542 E CB 0.335 30.027 29.700 -0.013 0.000 0.926 542 E HN 0.236 nan 8.360 nan 0.000 0.459 543 P HA 0.058 nan 4.420 nan 0.000 0.263 543 P C 0.310 177.533 177.300 -0.128 0.000 1.195 543 P CA 1.130 64.270 63.100 0.067 0.000 0.762 543 P CB 0.742 32.459 31.700 0.028 0.000 0.799 544 G N 2.609 111.332 108.800 -0.128 0.000 2.241 544 G HA2 -0.321 3.640 3.960 0.001 0.000 0.244 544 G HA3 -0.321 3.640 3.960 0.001 0.000 0.244 544 G C 0.779 175.617 174.900 -0.104 0.000 0.998 544 G CA 0.171 45.151 45.100 -0.199 0.000 0.621 544 G HN 0.523 nan 8.290 nan 0.000 0.519 545 L N 1.047 122.229 121.223 -0.068 0.000 2.187 545 L HA 0.139 4.479 4.340 0.001 0.000 0.213 545 L C 2.794 179.634 176.870 -0.050 0.000 1.100 545 L CA 2.457 57.263 54.840 -0.058 0.000 0.765 545 L CB -0.281 41.742 42.059 -0.061 0.000 0.904 545 L HN 0.464 nan 8.230 nan 0.000 0.437 546 V N -0.329 119.556 119.914 -0.049 0.000 2.759 546 V HA -0.141 3.979 4.120 0.001 0.000 0.256 546 V C 1.537 177.543 176.094 -0.146 0.000 1.080 546 V CA 1.044 63.288 62.300 -0.094 0.000 1.101 546 V CB -0.274 31.523 31.823 -0.043 0.000 0.698 546 V HN 0.478 nan 8.190 nan 0.000 0.477 547 L N 0.148 121.357 121.223 -0.024 0.000 3.634 547 L HA -0.248 4.092 4.340 0.001 0.000 0.423 547 L C 0.345 177.385 176.870 0.283 0.000 1.253 547 L CA 0.854 55.745 54.840 0.085 0.000 0.885 547 L CB -2.422 39.699 42.059 0.103 0.000 1.789 547 L HN 0.566 nan 8.230 nan 0.000 0.904 548 H N -0.854 118.314 119.070 0.164 0.000 2.475 548 H HA 0.265 4.821 4.556 0.001 0.000 0.276 548 H C 0.579 176.050 175.328 0.239 0.000 1.126 548 H CA -1.059 55.133 56.048 0.241 0.000 1.023 548 H CB 0.728 30.676 29.762 0.310 0.000 1.669 548 H HN 0.209 nan 8.280 nan 0.000 0.573 549 L N 1.845 123.214 121.223 0.243 0.000 2.525 549 L HA 0.206 4.546 4.340 0.001 0.000 0.278 549 L C 0.609 177.615 176.870 0.227 0.000 1.218 549 L CA 0.804 55.736 54.840 0.153 0.000 0.878 549 L CB 0.395 42.507 42.059 0.087 0.000 1.127 549 L HN 0.266 nan 8.230 nan 0.000 0.492 550 G N 1.672 110.615 108.800 0.239 0.000 2.725 550 G HA2 0.542 4.502 3.960 0.001 0.000 0.288 550 G HA3 0.542 4.502 3.960 0.001 0.000 0.288 550 G C 0.239 175.246 174.900 0.178 0.000 1.399 550 G CA -0.278 44.982 45.100 0.266 0.000 0.859 550 G HN 1.334 nan 8.290 nan 0.000 0.479 551 G N -1.265 107.602 108.800 0.111 0.000 2.159 551 G HA2 -0.220 3.740 3.960 0.001 0.000 0.256 551 G HA3 -0.220 3.740 3.960 0.001 0.000 0.256 551 G C 1.270 176.233 174.900 0.104 0.000 0.977 551 G CA 1.538 46.712 45.100 0.124 0.000 0.652 551 G HN 1.887 nan 8.290 nan 0.000 0.531 552 T N -2.020 112.546 114.554 0.020 0.000 3.055 552 T HA 0.206 4.556 4.350 0.001 0.000 0.265 552 T C 1.025 175.806 174.700 0.137 0.000 1.111 552 T CA 1.704 63.862 62.100 0.095 0.000 1.118 552 T CB -0.243 68.692 68.868 0.112 0.000 0.909 552 T HN 1.411 nan 8.240 nan 0.000 0.501 553 H N -0.097 119.045 119.070 0.121 0.000 2.712 553 H HA 0.460 5.016 4.556 0.001 0.000 0.226 553 H C -0.045 175.322 175.328 0.066 0.000 1.422 553 H CA -1.353 54.741 56.048 0.076 0.000 1.270 553 H CB -0.319 29.453 29.762 0.016 0.000 1.891 553 H HN 0.322 nan 8.280 nan 0.000 0.518 554 R N 0.547 121.133 120.500 0.142 0.000 2.679 554 R HA 0.299 4.640 4.340 0.001 0.000 0.269 554 R C -0.376 175.984 176.300 0.099 0.000 1.076 554 R CA -0.709 55.445 56.100 0.091 0.000 1.160 554 R CB 0.938 31.286 30.300 0.080 0.000 1.054 554 R HN 0.451 nan 8.270 nan 0.000 0.507 555 M N 1.296 120.930 119.600 0.057 0.000 2.233 555 M HA 0.447 4.927 4.480 0.001 0.000 0.355 555 M C -0.641 175.654 176.300 -0.008 0.000 1.191 555 M CA 0.064 55.371 55.300 0.012 0.000 1.101 555 M CB 1.661 34.244 32.600 -0.028 0.000 1.592 555 M HN 0.947 nan 8.290 nan 0.000 0.461 556 G N 2.379 111.186 108.800 0.011 0.000 2.600 556 G HA2 0.457 4.417 3.960 0.001 0.000 0.293 556 G HA3 0.457 4.417 3.960 0.001 0.000 0.293 556 G C -0.980 173.938 174.900 0.030 0.000 1.408 556 G CA -0.612 44.469 45.100 -0.031 0.000 0.782 556 G HN 0.668 nan 8.290 nan 0.000 0.482 557 F N -0.227 119.823 119.950 0.167 0.000 2.270 557 F HA 0.289 4.817 4.527 0.001 0.000 0.295 557 F C 1.005 176.926 175.800 0.202 0.000 1.087 557 F CA 0.802 58.901 58.000 0.164 0.000 1.365 557 F CB 0.497 39.552 39.000 0.092 0.000 1.056 557 F HN 0.372 nan 8.300 nan 0.000 0.506 558 D N -1.001 119.558 120.400 0.265 0.000 2.757 558 D HA 0.129 4.769 4.640 0.001 0.000 0.249 558 D C 0.727 176.878 176.300 -0.248 0.000 1.168 558 D CA -0.223 53.781 54.000 0.007 0.000 0.870 558 D CB 1.351 42.169 40.800 0.030 0.000 1.411 558 D HN 0.079 nan 8.370 nan 0.000 0.525 559 E N 3.137 122.853 120.200 -0.806 0.000 2.049 559 E HA -0.289 4.061 4.350 0.001 0.000 0.198 559 E C 1.315 177.733 176.600 -0.303 0.000 1.007 559 E CA 1.304 57.190 56.400 -0.856 0.000 0.809 559 E CB 0.256 29.266 29.700 -1.150 0.000 0.749 559 E HN 0.421 nan 8.360 nan 0.000 0.450 560 K N 0.028 120.297 120.400 -0.218 0.000 2.001 560 K HA -0.157 4.163 4.320 0.001 0.000 0.208 560 K C 2.076 178.641 176.600 -0.059 0.000 1.048 560 K CA 1.694 57.923 56.287 -0.098 0.000 0.932 560 K CB 0.055 32.514 32.500 -0.069 0.000 0.715 560 K HN 0.131 nan 8.250 nan 0.000 0.437 561 E N -0.026 120.144 120.200 -0.051 0.000 2.158 561 E HA -0.101 4.250 4.350 0.001 0.000 0.191 561 E C 0.675 177.271 176.600 -0.008 0.000 0.982 561 E CA 0.844 57.237 56.400 -0.012 0.000 0.823 561 E CB 0.257 29.962 29.700 0.009 0.000 0.766 561 E HN 0.303 nan 8.360 nan 0.000 0.468 562 D N 0.283 120.673 120.400 -0.017 0.000 2.368 562 D HA 0.052 4.693 4.640 0.001 0.000 0.218 562 D C -0.657 175.575 176.300 -0.113 0.000 1.112 562 D CA -0.021 53.964 54.000 -0.024 0.000 0.834 562 D CB 0.060 40.887 40.800 0.045 0.000 0.953 562 D HN 0.044 nan 8.370 nan 0.000 0.505 563 N N 0.662 119.286 118.700 -0.127 0.000 2.669 563 N HA -0.196 4.544 4.740 0.001 0.000 0.266 563 N C -0.223 175.190 175.510 -0.163 0.000 1.024 563 N CA 0.635 53.575 53.050 -0.182 0.000 0.766 563 N CB -1.313 36.925 38.487 -0.414 0.000 0.898 563 N HN 0.419 nan 8.380 nan 0.000 0.548 564 C N -3.299 115.994 119.300 -0.012 0.000 3.259 564 C HA 0.789 5.249 4.460 0.001 0.000 0.328 564 C C 1.368 176.531 174.990 0.287 0.000 1.425 564 C CA -0.636 58.455 59.018 0.122 0.000 1.465 564 C CB 1.593 29.434 27.740 0.168 0.000 1.890 564 C HN 0.502 nan 8.230 nan 0.000 0.450 565 C N 0.115 119.617 119.300 0.337 0.000 3.095 565 C HA 0.501 4.961 4.460 0.001 0.000 0.472 565 C C 0.638 175.730 174.990 0.170 0.000 1.348 565 C CA 0.649 59.855 59.018 0.313 0.000 2.206 565 C CB -0.227 27.620 27.740 0.178 0.000 3.088 565 C HN 0.962 nan 8.230 nan 0.000 0.599 566 V N 1.364 121.260 119.914 -0.030 0.000 2.914 566 V HA 0.720 4.841 4.120 0.001 0.000 0.314 566 V C -0.819 174.911 176.094 -0.606 0.000 1.084 566 V CA -0.634 61.390 62.300 -0.460 0.000 0.963 566 V CB 1.562 33.249 31.823 -0.228 0.000 1.025 566 V HN 0.420 nan 8.190 nan 0.000 0.432 567 N N 0.769 118.955 118.700 -0.855 0.000 2.431 567 N HA 0.262 5.002 4.740 0.001 0.000 0.289 567 N C 1.060 176.421 175.510 -0.248 0.000 1.277 567 N CA 0.198 52.983 53.050 -0.442 0.000 0.972 567 N CB -0.113 38.149 38.487 -0.375 0.000 1.143 567 N HN 0.941 nan 8.380 nan 0.000 0.578 568 T N -4.731 109.722 114.554 -0.168 0.000 3.163 568 T HA -0.006 4.344 4.350 0.001 0.000 0.260 568 T C 0.062 174.676 174.700 -0.143 0.000 1.156 568 T CA 0.670 62.669 62.100 -0.169 0.000 1.072 568 T CB -0.419 68.362 68.868 -0.144 0.000 0.937 568 T HN 0.446 nan 8.240 nan 0.000 0.528 569 D N 0.897 121.203 120.400 -0.158 0.000 2.340 569 D HA 0.196 4.836 4.640 0.001 0.000 0.217 569 D C 0.506 176.805 176.300 -0.002 0.000 1.081 569 D CA 0.098 54.025 54.000 -0.122 0.000 0.842 569 D CB 0.202 40.808 40.800 -0.324 0.000 0.934 569 D HN 0.344 nan 8.370 nan 0.000 0.511 570 S N 0.246 115.913 115.700 -0.056 0.000 3.490 570 S HA -0.239 4.232 4.470 0.001 0.000 0.301 570 S C 0.503 175.082 174.600 -0.035 0.000 1.233 570 S CA 0.396 58.599 58.200 0.006 0.000 0.914 570 S CB -1.353 61.927 63.200 0.134 0.000 1.047 570 S HN 0.463 nan 8.310 nan 0.000 0.602 571 R N 1.197 121.543 120.500 -0.257 0.000 2.312 571 R HA 0.505 4.845 4.340 0.001 0.000 0.311 571 R C -0.028 175.954 176.300 -0.530 0.000 1.004 571 R CA -0.472 55.285 56.100 -0.571 0.000 0.902 571 R CB 0.759 30.670 30.300 -0.649 0.000 1.073 571 R HN 0.131 nan 8.270 nan 0.000 0.457 572 V N 6.043 125.686 119.914 -0.451 0.000 2.540 572 V HA -0.027 4.094 4.120 0.001 0.000 0.297 572 V C 0.179 176.203 176.094 -0.116 0.000 1.024 572 V CA 0.332 62.459 62.300 -0.289 0.000 1.105 572 V CB -0.244 31.403 31.823 -0.292 0.000 0.938 572 V HN 0.564 nan 8.190 nan 0.000 0.482 573 F N 4.079 124.069 119.950 0.067 0.000 2.612 573 F HA 0.381 4.908 4.527 0.001 0.000 0.389 573 F C 1.553 177.485 175.800 0.220 0.000 1.055 573 F CA 1.474 59.539 58.000 0.108 0.000 1.232 573 F CB -0.163 38.894 39.000 0.095 0.000 1.044 573 F HN 0.800 nan 8.300 nan 0.000 0.560 574 G N 2.286 111.270 108.800 0.307 0.000 2.241 574 G HA2 -0.289 3.671 3.960 0.001 0.000 0.244 574 G HA3 -0.289 3.671 3.960 0.001 0.000 0.244 574 G C -0.149 174.687 174.900 -0.107 0.000 0.998 574 G CA -0.518 44.648 45.100 0.109 0.000 0.621 574 G HN 0.439 nan 8.290 nan 0.000 0.519 575 F N 0.921 120.897 119.950 0.043 0.000 2.426 575 F HA 0.662 5.189 4.527 0.001 0.000 0.348 575 F C 1.187 176.979 175.800 -0.014 0.000 1.124 575 F CA -1.053 56.962 58.000 0.025 0.000 1.008 575 F CB 1.838 40.854 39.000 0.027 0.000 1.139 575 F HN -0.258 nan 8.300 nan 0.000 0.452 576 K N 1.659 122.148 120.400 0.149 0.000 2.148 576 K HA -0.064 4.256 4.320 0.001 0.000 0.204 576 K C 0.911 177.727 176.600 0.360 0.000 1.050 576 K CA 0.977 57.394 56.287 0.218 0.000 0.942 576 K CB -0.162 32.466 32.500 0.214 0.000 0.724 576 K HN 0.651 nan 8.250 nan 0.000 0.446 577 N N -0.159 118.727 118.700 0.311 0.000 2.377 577 N HA 0.047 4.787 4.740 0.001 0.000 0.259 577 N C -0.762 174.871 175.510 0.204 0.000 1.332 577 N CA -0.356 52.933 53.050 0.399 0.000 0.877 577 N CB -0.026 38.758 38.487 0.496 0.000 1.299 577 N HN -0.059 nan 8.380 nan 0.000 0.501 578 L N 0.573 121.707 121.223 -0.147 0.000 2.356 578 L HA 0.713 5.054 4.340 0.001 0.000 0.277 578 L C -1.755 174.763 176.870 -0.586 0.000 0.996 578 L CA -0.629 54.098 54.840 -0.189 0.000 0.822 578 L CB 1.047 42.981 42.059 -0.208 0.000 1.256 578 L HN -0.021 nan 8.230 nan 0.000 0.413 579 F N 4.653 124.526 119.950 -0.129 0.000 2.576 579 F HA 0.680 5.207 4.527 0.001 0.000 0.313 579 F C -0.686 174.963 175.800 -0.251 0.000 1.078 579 F CA -0.649 57.256 58.000 -0.158 0.000 0.921 579 F CB 1.968 40.904 39.000 -0.105 0.000 1.232 579 F HN 0.193 nan 8.300 nan 0.000 0.459 580 L N 1.704 122.882 121.223 -0.074 0.000 2.365 580 L HA 0.884 5.224 4.340 0.001 0.000 0.273 580 L C -0.030 176.833 176.870 -0.011 0.000 1.000 580 L CA -0.801 53.915 54.840 -0.207 0.000 0.819 580 L CB 1.943 43.713 42.059 -0.482 0.000 1.284 580 L HN 0.766 nan 8.230 nan 0.000 0.418 581 G N 0.230 109.041 108.800 0.017 0.000 2.498 581 G HA2 0.818 4.779 3.960 0.001 0.000 0.312 581 G HA3 0.818 4.779 3.960 0.001 0.000 0.312 581 G C -0.521 174.498 174.900 0.198 0.000 1.230 581 G CA -0.400 44.820 45.100 0.200 0.000 0.968 581 G HN 0.969 nan 8.290 nan 0.000 0.481 582 G N -1.665 107.243 108.800 0.180 0.000 2.381 582 G HA2 0.055 4.015 3.960 0.001 0.000 0.672 582 G HA3 0.055 4.015 3.960 0.001 0.000 0.672 582 G C 0.722 175.676 174.900 0.089 0.000 1.324 582 G CA -0.013 45.172 45.100 0.142 0.000 0.975 582 G HN 1.178 nan 8.290 nan 0.000 0.593 583 C N 0.537 119.865 119.300 0.047 0.000 2.419 583 C HA 0.157 4.617 4.460 0.001 0.000 0.283 583 C C 3.053 178.017 174.990 -0.043 0.000 1.373 583 C CA 1.903 60.926 59.018 0.008 0.000 1.781 583 C CB -1.324 26.454 27.740 0.063 0.000 1.886 583 C HN 1.320 nan 8.230 nan 0.000 0.520 584 G N 1.124 109.812 108.800 -0.187 0.000 2.479 584 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 584 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 584 G C 1.381 175.901 174.900 -0.633 0.000 1.115 584 G CA 0.762 45.489 45.100 -0.622 0.000 0.757 584 G HN 0.567 nan 8.290 nan 0.000 0.560 585 N N 0.266 118.828 118.700 -0.231 0.000 2.459 585 N HA 0.037 4.777 4.740 0.001 0.000 0.181 585 N C 0.770 176.293 175.510 0.022 0.000 1.046 585 N CA 0.144 53.206 53.050 0.019 0.000 0.904 585 N CB 0.115 38.666 38.487 0.107 0.000 0.964 585 N HN 0.313 nan 8.380 nan 0.000 0.444 586 I N 2.983 123.566 120.570 0.021 0.000 2.436 586 I HA 0.059 4.230 4.170 0.001 0.000 0.289 586 I C -1.349 174.858 176.117 0.151 0.000 1.083 586 I CA -1.119 60.224 61.300 0.072 0.000 1.372 586 I CB 1.358 39.352 38.000 -0.011 0.000 1.408 586 I HN -0.110 nan 8.210 nan 0.000 0.516 587 P HA 0.060 nan 4.420 nan 0.000 0.267 587 P C 0.272 177.666 177.300 0.156 0.000 1.289 587 P CA 0.209 63.383 63.100 0.123 0.000 0.866 587 P CB 0.187 31.920 31.700 0.055 0.000 1.309 588 T N -2.372 112.307 114.554 0.209 0.000 2.897 588 T HA 0.686 5.037 4.350 0.001 0.000 0.278 588 T C 0.151 174.985 174.700 0.223 0.000 0.981 588 T CA -0.886 61.324 62.100 0.182 0.000 0.973 588 T CB 1.240 70.192 68.868 0.140 0.000 1.092 588 T HN 0.049 nan 8.240 nan 0.000 0.543 589 A N 1.885 124.767 122.820 0.103 0.000 2.310 589 A HA 0.604 4.924 4.320 0.001 0.000 0.300 589 A C -0.626 176.913 177.584 -0.076 0.000 1.269 589 A CA -0.853 51.188 52.037 0.007 0.000 0.909 589 A CB -0.927 18.098 19.000 0.042 0.000 1.144 589 A HN 0.855 nan 8.150 nan 0.000 0.540 590 Y N -0.350 119.854 120.300 -0.160 0.000 2.499 590 Y HA 0.728 5.279 4.550 0.001 0.000 0.347 590 Y C 0.770 176.531 175.900 -0.231 0.000 0.987 590 Y CA -0.736 57.076 58.100 -0.480 0.000 1.044 590 Y CB 1.434 39.345 38.460 -0.914 0.000 1.245 590 Y HN 0.372 nan 8.280 nan 0.000 0.461 591 G N 0.463 109.168 108.800 -0.158 0.000 2.673 591 G HA2 0.390 4.350 3.960 0.001 0.000 0.208 591 G HA3 0.390 4.350 3.960 0.001 0.000 0.208 591 G C 0.439 175.443 174.900 0.173 0.000 1.128 591 G CA 0.198 45.411 45.100 0.188 0.000 0.805 591 G HN 0.949 nan 8.290 nan 0.000 0.526 592 A N 0.732 123.481 122.820 -0.118 0.000 2.346 592 A HA 0.493 4.813 4.320 0.001 0.000 0.252 592 A C -0.082 177.420 177.584 -0.137 0.000 1.089 592 A CA -0.492 51.361 52.037 -0.307 0.000 0.797 592 A CB 0.064 18.893 19.000 -0.286 0.000 1.047 592 A HN 0.357 nan 8.150 nan 0.000 0.494 593 N N 1.696 120.185 118.700 -0.351 0.000 2.483 593 N HA 0.252 4.993 4.740 0.001 0.000 0.264 593 N C -2.005 173.415 175.510 -0.150 0.000 1.197 593 N CA -0.956 51.858 53.050 -0.395 0.000 0.927 593 N CB 0.459 38.785 38.487 -0.268 0.000 1.065 593 N HN 0.416 nan 8.380 nan 0.000 0.461 594 P HA -0.018 nan 4.420 nan 0.000 0.235 594 P C 0.494 177.696 177.300 -0.163 0.000 1.177 594 P CA 0.697 63.701 63.100 -0.160 0.000 0.785 594 P CB 0.289 31.870 31.700 -0.198 0.000 0.885 595 T N 1.248 115.778 114.554 -0.041 0.000 2.684 595 T HA -0.163 4.188 4.350 0.001 0.000 0.267 595 T C 1.792 176.577 174.700 0.141 0.000 1.036 595 T CA 1.172 63.309 62.100 0.061 0.000 1.148 595 T CB -0.929 68.004 68.868 0.108 0.000 0.863 595 T HN 0.031 nan 8.240 nan 0.000 0.436 596 L N 0.961 122.285 121.223 0.168 0.000 2.079 596 L HA -0.113 4.227 4.340 0.001 0.000 0.210 596 L C 2.473 179.419 176.870 0.128 0.000 1.081 596 L CA 1.714 56.703 54.840 0.248 0.000 0.752 596 L CB -0.966 41.223 42.059 0.218 0.000 0.896 596 L HN 0.205 nan 8.230 nan 0.000 0.433 597 T N -0.504 113.990 114.554 -0.100 0.000 2.737 597 T HA -0.111 4.240 4.350 0.001 0.000 0.265 597 T C 1.922 176.547 174.700 -0.125 0.000 1.038 597 T CA 1.217 63.166 62.100 -0.253 0.000 1.144 597 T CB -0.487 67.813 68.868 -0.946 0.000 0.866 597 T HN 0.520 nan 8.240 nan 0.000 0.434 598 A N 1.683 124.433 122.820 -0.116 0.000 1.908 598 A HA -0.124 4.197 4.320 0.001 0.000 0.218 598 A C 2.325 179.888 177.584 -0.035 0.000 1.181 598 A CA 1.975 53.984 52.037 -0.047 0.000 0.627 598 A CB -0.788 18.203 19.000 -0.015 0.000 0.818 598 A HN 0.526 nan 8.150 nan 0.000 0.445 599 M N -0.308 119.281 119.600 -0.018 0.000 2.117 599 M HA -0.160 4.321 4.480 0.001 0.000 0.262 599 M C 2.191 178.414 176.300 -0.128 0.000 1.065 599 M CA 2.178 57.442 55.300 -0.060 0.000 1.114 599 M CB -0.195 32.379 32.600 -0.044 0.000 1.361 599 M HN 0.391 nan 8.290 nan 0.000 0.408 600 S N 1.168 116.794 115.700 -0.123 0.000 2.359 600 S HA -0.154 4.316 4.470 0.001 0.000 0.224 600 S C 1.760 176.177 174.600 -0.304 0.000 1.035 600 S CA 1.535 59.594 58.200 -0.234 0.000 1.018 600 S CB -0.579 62.461 63.200 -0.268 0.000 0.876 600 S HN 0.522 nan 8.310 nan 0.000 0.448 601 L N 1.007 122.091 121.223 -0.232 0.000 2.083 601 L HA -0.150 4.191 4.340 0.001 0.000 0.209 601 L C 2.768 179.511 176.870 -0.212 0.000 1.083 601 L CA 1.169 55.870 54.840 -0.230 0.000 0.752 601 L CB -0.709 41.286 42.059 -0.106 0.000 0.899 601 L HN 0.333 nan 8.230 nan 0.000 0.433 602 A N 0.325 123.018 122.820 -0.212 0.000 1.933 602 A HA -0.161 4.159 4.320 0.001 0.000 0.218 602 A C 2.210 179.485 177.584 -0.515 0.000 1.175 602 A CA 1.347 53.149 52.037 -0.391 0.000 0.628 602 A CB -0.571 18.208 19.000 -0.368 0.000 0.814 602 A HN 0.335 nan 8.150 nan 0.000 0.444 603 I N -0.481 119.878 120.570 -0.353 0.000 2.127 603 I HA -0.310 3.860 4.170 0.001 0.000 0.241 603 I C 2.550 178.502 176.117 -0.275 0.000 1.075 603 I CA 2.018 63.140 61.300 -0.297 0.000 1.334 603 I CB -0.324 37.519 38.000 -0.262 0.000 1.040 603 I HN 0.380 nan 8.210 nan 0.000 0.405 604 K N 0.605 120.840 120.400 -0.275 0.000 2.044 604 K HA -0.265 4.056 4.320 0.001 0.000 0.210 604 K C 2.369 178.875 176.600 -0.158 0.000 1.049 604 K CA 2.109 58.261 56.287 -0.226 0.000 0.927 604 K CB -0.204 32.127 32.500 -0.282 0.000 0.713 604 K HN 0.135 nan 8.250 nan 0.000 0.443 605 S N -0.113 115.478 115.700 -0.180 0.000 2.370 605 S HA -0.189 4.282 4.470 0.001 0.000 0.226 605 S C 2.080 176.566 174.600 -0.191 0.000 1.033 605 S CA 1.541 59.669 58.200 -0.119 0.000 1.011 605 S CB -0.516 62.651 63.200 -0.055 0.000 0.852 605 S HN 0.578 nan 8.310 nan 0.000 0.457 606 C N 1.481 120.582 119.300 -0.333 0.000 2.413 606 C HA -0.048 4.412 4.460 0.001 0.000 0.277 606 C C 2.478 177.372 174.990 -0.160 0.000 1.265 606 C CA 0.889 59.726 59.018 -0.301 0.000 1.752 606 C CB -1.538 25.990 27.740 -0.353 0.000 1.998 606 C HN 0.686 nan 8.230 nan 0.000 0.489 607 E N -0.583 119.552 120.200 -0.108 0.000 2.085 607 E HA -0.270 4.080 4.350 0.001 0.000 0.194 607 E C 1.862 178.475 176.600 0.023 0.000 0.994 607 E CA 1.585 57.960 56.400 -0.041 0.000 0.801 607 E CB -0.375 29.298 29.700 -0.045 0.000 0.743 607 E HN 0.831 nan 8.360 nan 0.000 0.453 608 Y N 1.211 121.478 120.300 -0.056 0.000 2.207 608 Y HA -0.216 4.334 4.550 0.001 0.000 0.287 608 Y C 1.938 177.873 175.900 0.058 0.000 1.156 608 Y CA 1.438 59.552 58.100 0.023 0.000 1.182 608 Y CB 0.009 38.521 38.460 0.087 0.000 0.979 608 Y HN -0.031 nan 8.280 nan 0.000 0.521 609 I N -0.021 120.565 120.570 0.026 0.000 2.286 609 I HA -0.265 3.906 4.170 0.001 0.000 0.245 609 I C 2.140 178.281 176.117 0.040 0.000 1.104 609 I CA 1.354 62.636 61.300 -0.032 0.000 1.397 609 I CB -0.348 37.426 38.000 -0.377 0.000 1.072 609 I HN 0.127 nan 8.210 nan 0.000 0.417 610 K N 0.395 120.791 120.400 -0.007 0.000 2.283 610 K HA -0.147 4.174 4.320 0.001 0.000 0.202 610 K C 1.827 178.467 176.600 0.068 0.000 1.048 610 K CA 0.918 57.269 56.287 0.107 0.000 0.948 610 K CB -0.023 32.517 32.500 0.067 0.000 0.742 610 K HN 0.423 nan 8.250 nan 0.000 0.458 611 Q N -0.352 119.425 119.800 -0.038 0.000 2.392 611 Q HA 0.085 4.425 4.340 0.001 0.000 0.203 611 Q C 0.813 176.711 176.000 -0.169 0.000 0.917 611 Q CA 0.353 56.098 55.803 -0.096 0.000 0.939 611 Q CB 0.546 29.210 28.738 -0.123 0.000 1.063 611 Q HN 0.265 nan 8.270 nan 0.000 0.516 612 N N -1.144 117.448 118.700 -0.181 0.000 2.113 612 N HA 0.143 4.884 4.740 0.001 0.000 0.223 612 N C -1.017 174.221 175.510 -0.452 0.000 1.310 612 N CA 0.230 53.057 53.050 -0.371 0.000 0.896 612 N CB 1.120 39.205 38.487 -0.670 0.000 1.097 612 N HN -0.023 nan 8.380 nan 0.000 0.507 613 F N 0.596 120.558 119.950 0.021 0.000 2.569 613 F HA 0.334 4.862 4.527 0.001 0.000 0.312 613 F C 0.048 175.962 175.800 0.190 0.000 1.109 613 F CA -0.644 57.432 58.000 0.127 0.000 0.919 613 F CB 1.954 41.052 39.000 0.164 0.000 1.211 613 F HN -0.378 nan 8.300 nan 0.000 0.446 614 T N 4.137 118.840 114.554 0.249 0.000 2.767 614 T HA 0.385 4.735 4.350 0.001 0.000 0.288 614 T C -2.554 172.117 174.700 -0.048 0.000 0.963 614 T CA -1.396 60.741 62.100 0.062 0.000 1.019 614 T CB 0.995 69.874 68.868 0.018 0.000 0.923 614 T HN 0.127 nan 8.240 nan 0.000 0.468 615 P HA 0.151 nan 4.420 nan 0.000 0.268 615 P C -0.014 177.176 177.300 -0.184 0.000 1.204 615 P CA -0.495 62.299 63.100 -0.510 0.000 0.768 615 P CB 0.252 31.525 31.700 -0.712 0.000 0.842 616 S N 3.499 119.140 115.700 -0.099 0.000 2.558 616 S HA 0.201 4.672 4.470 0.001 0.000 0.288 616 S C -2.158 172.411 174.600 -0.052 0.000 1.318 616 S CA -0.907 57.261 58.200 -0.054 0.000 1.056 616 S CB -0.919 62.255 63.200 -0.042 0.000 0.853 616 S HN 0.264 nan 8.310 nan 0.000 0.505 617 P HA 0.151 nan 4.420 nan 0.000 0.268 617 P C -0.557 176.795 177.300 0.086 0.000 1.205 617 P CA -0.394 62.725 63.100 0.031 0.000 0.771 617 P CB 0.127 31.845 31.700 0.031 0.000 0.858 618 F N 3.385 123.318 119.950 -0.028 0.000 2.487 618 F HA 0.261 4.788 4.527 0.001 0.000 0.364 618 F C 0.761 176.553 175.800 -0.014 0.000 1.126 618 F CA 0.454 58.443 58.000 -0.018 0.000 1.135 618 F CB -0.477 38.514 39.000 -0.014 0.000 1.127 618 F HN 0.157 nan 8.300 nan 0.000 0.559 619 T N 0.000 114.787 114.554 0.389 0.000 3.816 619 T HA 0.000 4.350 4.350 0.001 0.000 0.228 619 T CA 0.000 62.253 62.100 0.256 0.000 1.349 619 T CB 0.000 68.927 68.868 0.098 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658