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 3bg7_1_D DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSGPQFME 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 0.000 176.247 176.300 -0.088 0.000 1.140 43 M CA 0.000 55.276 55.300 -0.041 0.000 0.988 43 M CB 0.000 32.435 32.600 -0.275 0.000 1.302 44 D N 3.519 123.906 120.400 -0.022 0.000 2.312 44 D HA 0.536 5.177 4.640 0.001 0.000 0.248 44 D C 0.565 176.810 176.300 -0.092 0.000 1.086 44 D CA -0.311 53.635 54.000 -0.091 0.000 0.948 44 D CB 0.910 41.622 40.800 -0.147 0.000 1.162 44 D HN 0.609 nan 8.370 nan 0.000 0.446 45 I N -1.424 119.066 120.570 -0.133 0.000 4.102 45 I HA 0.413 4.583 4.170 0.001 0.000 0.325 45 I C -0.272 175.808 176.117 -0.062 0.000 1.471 45 I CA -0.662 60.622 61.300 -0.026 0.000 1.133 45 I CB 0.133 38.121 38.000 -0.019 0.000 1.184 45 I HN 0.020 nan 8.210 nan 0.000 0.451 46 K N 1.501 121.711 120.400 -0.316 0.000 2.413 46 K HA 0.578 4.899 4.320 0.001 0.000 0.257 46 K C -1.827 174.392 176.600 -0.635 0.000 0.946 46 K CA -0.275 55.840 56.287 -0.285 0.000 0.823 46 K CB 1.258 33.661 32.500 -0.161 0.000 1.109 46 K HN 0.144 nan 8.250 nan 0.000 0.427 47 Y N 1.193 121.468 120.300 -0.041 0.000 2.633 47 Y HA 0.260 4.810 4.550 0.001 0.000 0.339 47 Y C 0.657 176.521 175.900 -0.061 0.000 1.045 47 Y CA -0.773 57.294 58.100 -0.055 0.000 1.098 47 Y CB 1.753 40.173 38.460 -0.065 0.000 1.296 47 Y HN 0.619 nan 8.280 nan 0.000 0.494 48 D N 0.028 120.509 120.400 0.135 0.000 2.120 48 D HA 0.035 4.676 4.640 0.001 0.000 0.202 48 D C -0.342 175.945 176.300 -0.022 0.000 0.972 48 D CA 1.433 55.492 54.000 0.097 0.000 0.837 48 D CB 0.279 41.212 40.800 0.221 0.000 0.989 48 D HN 0.113 nan 8.370 nan 0.000 0.469 49 V N 1.148 121.040 119.914 -0.038 0.000 2.638 49 V HA 0.393 4.513 4.120 0.001 0.000 0.306 49 V C -0.311 175.675 176.094 -0.179 0.000 1.052 49 V CA -1.049 61.137 62.300 -0.190 0.000 0.885 49 V CB 2.420 34.106 31.823 -0.228 0.000 0.999 49 V HN -0.021 nan 8.190 nan 0.000 0.424 50 V N 2.838 122.600 119.914 -0.253 0.000 2.495 50 V HA 0.752 4.872 4.120 0.001 0.000 0.298 50 V C -0.657 175.363 176.094 -0.124 0.000 1.031 50 V CA -0.609 61.592 62.300 -0.165 0.000 0.871 50 V CB 1.634 33.416 31.823 -0.070 0.000 0.988 50 V HN 0.688 nan 8.190 nan 0.000 0.432 51 I N 4.405 124.927 120.570 -0.081 0.000 2.406 51 I HA 0.528 4.699 4.170 0.001 0.000 0.290 51 I C -0.524 175.601 176.117 0.014 0.000 0.999 51 I CA -0.936 60.308 61.300 -0.093 0.000 1.124 51 I CB 2.204 40.137 38.000 -0.113 0.000 1.289 51 I HN 0.441 nan 8.210 nan 0.000 0.441 52 V N 5.299 125.209 119.914 -0.006 0.000 2.350 52 V HA 0.815 4.935 4.120 0.001 0.000 0.276 52 V C 0.435 176.532 176.094 0.005 0.000 1.028 52 V CA -0.371 61.953 62.300 0.040 0.000 0.860 52 V CB 0.682 32.505 31.823 -0.001 0.000 0.990 52 V HN 1.065 nan 8.190 nan 0.000 0.453 53 G N 3.885 112.703 108.800 0.031 0.000 3.067 53 G HA2 -0.037 3.924 3.960 0.001 0.000 0.686 53 G HA3 -0.037 3.924 3.960 0.001 0.000 0.686 53 G C -0.034 174.877 174.900 0.019 0.000 1.119 53 G CA -0.246 44.864 45.100 0.017 0.000 0.790 53 G HN 1.331 nan 8.290 nan 0.000 0.605 54 S N 1.311 117.027 115.700 0.027 0.000 2.561 54 S HA 0.594 5.065 4.470 0.001 0.000 0.245 54 S C 1.357 175.965 174.600 0.013 0.000 1.001 54 S CA 0.682 58.904 58.200 0.035 0.000 1.002 54 S CB 0.588 63.822 63.200 0.057 0.000 0.805 54 S HN 1.930 nan 8.310 nan 0.000 0.458 55 G N 2.733 111.530 108.800 -0.005 0.000 2.631 55 G HA2 0.351 4.311 3.960 0.001 0.000 0.271 55 G HA3 0.351 4.311 3.960 0.001 0.000 0.271 55 G C -1.124 173.745 174.900 -0.051 0.000 1.302 55 G CA -1.169 43.909 45.100 -0.036 0.000 1.002 55 G HN 0.270 nan 8.290 nan 0.000 0.519 56 P HA -0.069 nan 4.420 nan 0.000 0.220 56 P C 1.717 178.944 177.300 -0.121 0.000 1.148 56 P CA 0.736 63.764 63.100 -0.119 0.000 0.803 56 P CB 0.176 31.815 31.700 -0.101 0.000 0.782 57 I N 0.092 120.629 120.570 -0.054 0.000 2.277 57 I HA -0.015 4.156 4.170 0.001 0.000 0.243 57 I C 2.693 178.854 176.117 0.073 0.000 1.094 57 I CA 1.427 62.727 61.300 0.001 0.000 1.393 57 I CB -2.283 35.747 38.000 0.050 0.000 1.078 57 I HN -0.005 nan 8.210 nan 0.000 0.417 58 G N 0.326 109.150 108.800 0.039 0.000 2.469 58 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 58 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 58 G C 1.724 176.608 174.900 -0.026 0.000 1.136 58 G CA 1.135 46.248 45.100 0.021 0.000 0.759 58 G HN 0.427 nan 8.290 nan 0.000 0.562 59 C N 0.599 119.858 119.300 -0.069 0.000 2.448 59 C HA 0.069 4.530 4.460 0.001 0.000 0.280 59 C C 3.140 177.973 174.990 -0.262 0.000 1.398 59 C CA 1.188 60.115 59.018 -0.152 0.000 1.774 59 C CB -0.932 26.772 27.740 -0.059 0.000 1.888 59 C HN 0.455 nan 8.230 nan 0.000 0.519 60 T N 0.318 114.744 114.554 -0.215 0.000 2.674 60 T HA -0.178 4.173 4.350 0.001 0.000 0.265 60 T C 1.476 175.994 174.700 -0.304 0.000 1.039 60 T CA 1.673 63.606 62.100 -0.277 0.000 1.150 60 T CB -0.468 68.266 68.868 -0.225 0.000 0.864 60 T HN 0.538 nan 8.240 nan 0.000 0.427 61 Y N 1.627 121.770 120.300 -0.262 0.000 2.114 61 Y HA -0.135 4.416 4.550 0.001 0.000 0.282 61 Y C 2.811 178.486 175.900 -0.375 0.000 1.165 61 Y CA 1.123 59.054 58.100 -0.283 0.000 1.148 61 Y CB -0.783 37.529 38.460 -0.245 0.000 0.972 61 Y HN 0.207 nan 8.280 nan 0.000 0.504 62 A N 0.103 122.724 122.820 -0.332 0.000 1.858 62 A HA -0.245 4.076 4.320 0.001 0.000 0.216 62 A C 2.305 179.320 177.584 -0.949 0.000 1.190 62 A CA 1.900 53.509 52.037 -0.713 0.000 0.617 62 A CB -0.806 17.538 19.000 -1.093 0.000 0.827 62 A HN 0.432 nan 8.150 nan 0.000 0.443 63 R N -0.447 119.526 120.500 -0.877 0.000 2.083 63 R HA -0.173 4.168 4.340 0.001 0.000 0.237 63 R C 2.051 178.128 176.300 -0.373 0.000 1.137 63 R CA 1.822 57.556 56.100 -0.609 0.000 0.951 63 R CB -0.266 29.704 30.300 -0.548 0.000 0.851 63 R HN 0.590 nan 8.270 nan 0.000 0.434 64 E N 0.395 120.403 120.200 -0.320 0.000 2.047 64 E HA -0.165 4.186 4.350 0.001 0.000 0.191 64 E C 2.144 178.666 176.600 -0.130 0.000 0.987 64 E CA 1.177 57.470 56.400 -0.178 0.000 0.799 64 E CB -0.083 29.505 29.700 -0.187 0.000 0.752 64 E HN 0.417 nan 8.360 nan 0.000 0.449 65 L N 0.405 121.520 121.223 -0.181 0.000 2.209 65 L HA -0.060 4.281 4.340 0.001 0.000 0.207 65 L C 2.510 179.401 176.870 0.035 0.000 1.094 65 L CA 0.253 55.027 54.840 -0.109 0.000 0.790 65 L CB -0.211 41.681 42.059 -0.279 0.000 0.932 65 L HN -0.051 nan 8.230 nan 0.000 0.447 66 V N 0.473 120.326 119.914 -0.102 0.000 2.358 66 V HA -0.177 3.944 4.120 0.001 0.000 0.246 66 V C 2.668 178.785 176.094 0.037 0.000 1.047 66 V CA 1.998 64.285 62.300 -0.022 0.000 1.035 66 V CB -1.218 30.532 31.823 -0.122 0.000 0.658 66 V HN 0.550 nan 8.190 nan 0.000 0.452 67 G N -0.239 108.560 108.800 -0.002 0.000 2.442 67 G HA2 -0.210 3.751 3.960 0.001 0.000 0.219 67 G HA3 -0.210 3.751 3.960 0.001 0.000 0.219 67 G C 1.507 176.439 174.900 0.053 0.000 1.141 67 G CA 0.966 46.082 45.100 0.027 0.000 0.763 67 G HN 0.644 nan 8.290 nan 0.000 0.554 68 A N -0.594 122.281 122.820 0.091 0.000 2.251 68 A HA 0.486 4.807 4.320 0.001 0.000 0.209 68 A C 1.897 179.505 177.584 0.039 0.000 1.187 68 A CA 1.228 53.333 52.037 0.113 0.000 0.823 68 A CB -0.331 18.812 19.000 0.239 0.000 0.846 68 A HN 1.620 nan 8.150 nan 0.000 0.486 69 G N -2.297 106.535 108.800 0.054 0.000 2.144 69 G HA2 -0.247 3.713 3.960 0.001 0.000 0.218 69 G HA3 -0.247 3.713 3.960 0.001 0.000 0.218 69 G C -0.108 174.737 174.900 -0.092 0.000 0.988 69 G CA 0.053 45.141 45.100 -0.020 0.000 0.659 69 G HN 0.380 nan 8.290 nan 0.000 0.522 70 Y N 0.308 120.600 120.300 -0.014 0.000 2.301 70 Y HA 0.479 5.030 4.550 0.001 0.000 0.328 70 Y C 1.071 176.954 175.900 -0.029 0.000 1.242 70 Y CA -0.210 57.876 58.100 -0.024 0.000 1.323 70 Y CB 0.827 39.266 38.460 -0.036 0.000 1.266 70 Y HN 0.054 nan 8.280 nan 0.000 0.527 71 K N 2.783 123.255 120.400 0.120 0.000 2.250 71 K HA 0.393 4.714 4.320 0.001 0.000 0.285 71 K C -1.564 175.137 176.600 0.169 0.000 1.097 71 K CA -0.135 56.200 56.287 0.080 0.000 0.913 71 K CB -0.018 32.486 32.500 0.007 0.000 1.179 71 K HN 0.491 nan 8.250 nan 0.000 0.462 72 V N 3.325 123.318 119.914 0.132 0.000 2.435 72 V HA 0.533 4.654 4.120 0.001 0.000 0.290 72 V C -0.101 175.878 176.094 -0.191 0.000 1.030 72 V CA -0.879 61.445 62.300 0.039 0.000 0.881 72 V CB 1.352 33.248 31.823 0.122 0.000 0.983 72 V HN 0.866 nan 8.190 nan 0.000 0.445 73 A N 5.709 128.232 122.820 -0.495 0.000 2.337 73 A HA 0.919 5.240 4.320 0.001 0.000 0.329 73 A C -0.612 176.623 177.584 -0.580 0.000 1.146 73 A CA -0.641 50.901 52.037 -0.825 0.000 0.800 73 A CB 1.472 19.605 19.000 -1.445 0.000 1.220 73 A HN 0.881 nan 8.150 nan 0.000 0.472 74 M N 2.161 121.363 119.600 -0.664 0.000 2.321 74 M HA 0.701 5.181 4.480 0.001 0.000 0.315 74 M C -2.100 173.884 176.300 -0.526 0.000 1.052 74 M CA -0.387 54.698 55.300 -0.360 0.000 0.936 74 M CB 1.064 33.645 32.600 -0.032 0.000 1.639 74 M HN 0.612 nan 8.290 nan 0.000 0.433 75 F N 2.347 122.282 119.950 -0.026 0.000 2.469 75 F HA 0.544 5.072 4.527 0.001 0.000 0.332 75 F C -0.099 175.694 175.800 -0.011 0.000 1.103 75 F CA -0.519 57.482 58.000 0.001 0.000 0.979 75 F CB 1.426 40.399 39.000 -0.045 0.000 1.137 75 F HN 0.435 nan 8.300 nan 0.000 0.463 76 D N 2.816 123.313 120.400 0.161 0.000 2.879 76 D HA 0.237 4.878 4.640 0.001 0.000 0.236 76 D C 0.511 176.839 176.300 0.047 0.000 1.171 76 D CA -0.337 53.708 54.000 0.075 0.000 0.868 76 D CB 2.435 43.262 40.800 0.045 0.000 1.598 76 D HN 0.636 nan 8.370 nan 0.000 0.497 77 I N 1.949 122.502 120.570 -0.029 0.000 2.493 77 I HA 0.034 4.204 4.170 0.001 0.000 0.254 77 I C 1.178 177.265 176.117 -0.050 0.000 1.160 77 I CA 0.741 61.984 61.300 -0.095 0.000 1.445 77 I CB 0.171 37.999 38.000 -0.287 0.000 1.086 77 I HN 0.343 nan 8.210 nan 0.000 0.433 78 G N -0.132 108.655 108.800 -0.022 0.000 2.532 78 G HA2 0.384 4.344 3.960 0.001 0.000 0.291 78 G HA3 0.384 4.344 3.960 0.001 0.000 0.291 78 G C -0.835 174.087 174.900 0.036 0.000 1.349 78 G CA -0.391 44.720 45.100 0.018 0.000 1.038 78 G HN 0.288 nan 8.290 nan 0.000 0.518 79 E N -1.563 118.663 120.200 0.044 0.000 2.359 79 E HA 0.392 4.743 4.350 0.001 0.000 0.266 79 E C -0.582 176.043 176.600 0.042 0.000 0.920 79 E CA -0.738 55.688 56.400 0.043 0.000 0.788 79 E CB 2.528 32.256 29.700 0.047 0.000 1.279 79 E HN 0.277 nan 8.360 nan 0.000 0.438 80 I N 2.449 123.041 120.570 0.036 0.000 2.452 80 I HA 0.058 4.229 4.170 0.001 0.000 0.287 80 I C -0.251 175.894 176.117 0.047 0.000 1.079 80 I CA 0.491 61.814 61.300 0.038 0.000 1.387 80 I CB 0.178 38.194 38.000 0.026 0.000 1.404 80 I HN 0.506 nan 8.210 nan 0.000 0.522 81 D N 2.741 123.177 120.400 0.059 0.000 3.404 81 D HA 0.046 4.686 4.640 0.001 0.000 0.329 81 D C -0.108 176.248 176.300 0.094 0.000 1.421 81 D CA -0.294 53.748 54.000 0.070 0.000 0.742 81 D CB 0.089 40.930 40.800 0.068 0.000 1.290 81 D HN 0.243 nan 8.370 nan 0.000 0.600 82 S N -0.374 115.383 115.700 0.096 0.000 2.937 82 S HA 0.614 5.085 4.470 0.001 0.000 0.252 82 S C 0.774 175.444 174.600 0.117 0.000 1.022 82 S CA 0.136 58.410 58.200 0.124 0.000 1.079 82 S CB 0.683 63.952 63.200 0.116 0.000 1.035 82 S HN 0.891 nan 8.310 nan 0.000 0.594 83 G N 1.378 110.235 108.800 0.094 0.000 2.568 83 G HA2 -0.214 3.747 3.960 0.001 0.000 0.222 83 G HA3 -0.214 3.747 3.960 0.001 0.000 0.222 83 G C 0.292 175.227 174.900 0.057 0.000 1.321 83 G CA -0.194 44.953 45.100 0.079 0.000 0.893 83 G HN 0.287 nan 8.290 nan 0.000 0.569 84 L N 0.187 121.439 121.223 0.047 0.000 2.313 84 L HA 0.135 4.476 4.340 0.001 0.000 0.214 84 L C 1.514 178.397 176.870 0.022 0.000 1.119 84 L CA 0.918 55.775 54.840 0.028 0.000 0.809 84 L CB -0.277 41.794 42.059 0.020 0.000 0.933 84 L HN 0.314 nan 8.230 nan 0.000 0.449 85 K N 1.748 122.171 120.400 0.038 0.000 2.250 85 K HA 0.322 4.643 4.320 0.001 0.000 0.285 85 K C -0.289 176.334 176.600 0.038 0.000 1.097 85 K CA -0.221 56.084 56.287 0.031 0.000 0.913 85 K CB 0.700 33.233 32.500 0.055 0.000 1.179 85 K HN 0.092 nan 8.250 nan 0.000 0.462 86 I N 1.923 122.499 120.570 0.010 0.000 2.598 86 I HA -0.065 4.105 4.170 0.001 0.000 0.284 86 I C 1.371 177.505 176.117 0.027 0.000 1.140 86 I CA 0.691 62.001 61.300 0.017 0.000 1.420 86 I CB 0.407 38.406 38.000 -0.002 0.000 1.387 86 I HN 0.940 nan 8.210 nan 0.000 0.553 87 G N 4.293 113.121 108.800 0.047 0.000 2.153 87 G HA2 -0.213 3.748 3.960 0.001 0.000 0.252 87 G HA3 -0.213 3.748 3.960 0.001 0.000 0.252 87 G C 0.319 175.267 174.900 0.080 0.000 0.994 87 G CA 0.118 45.250 45.100 0.054 0.000 0.698 87 G HN 0.972 nan 8.290 nan 0.000 0.521 88 A N -0.483 122.401 122.820 0.106 0.000 2.272 88 A HA 0.629 4.949 4.320 0.001 0.000 0.275 88 A C 0.577 178.287 177.584 0.209 0.000 1.096 88 A CA -0.348 51.788 52.037 0.165 0.000 0.822 88 A CB 0.285 19.385 19.000 0.166 0.000 1.088 88 A HN 0.593 nan 8.150 nan 0.000 0.495 89 H N 0.513 119.717 119.070 0.222 0.000 2.975 89 H HA 0.078 4.634 4.556 0.001 0.000 0.303 89 H C 0.779 176.236 175.328 0.215 0.000 1.023 89 H CA 0.778 56.972 56.048 0.244 0.000 1.473 89 H CB 0.749 30.677 29.762 0.277 0.000 1.498 89 H HN 0.672 nan 8.280 nan 0.000 0.549 90 K N 3.452 124.069 120.400 0.362 0.000 2.362 90 K HA -0.116 4.205 4.320 0.001 0.000 0.200 90 K C 1.684 178.528 176.600 0.407 0.000 1.046 90 K CA 0.774 57.317 56.287 0.426 0.000 0.952 90 K CB 0.310 33.100 32.500 0.483 0.000 0.753 90 K HN 0.421 nan 8.250 nan 0.000 0.466 91 K N 0.935 121.432 120.400 0.161 0.000 2.525 91 K HA -0.003 4.317 4.320 0.001 0.000 0.192 91 K C 0.567 177.188 176.600 0.035 0.000 1.029 91 K CA 0.455 56.515 56.287 -0.378 0.000 1.029 91 K CB 0.230 32.044 32.500 -1.144 0.000 0.814 91 K HN -0.019 nan 8.250 nan 0.000 0.503 92 N N 1.409 120.241 118.700 0.219 0.000 2.314 92 N HA -0.029 4.711 4.740 0.001 0.000 0.200 92 N C -0.450 175.282 175.510 0.371 0.000 1.135 92 N CA 0.379 53.582 53.050 0.256 0.000 0.835 92 N CB 0.570 39.239 38.487 0.304 0.000 0.989 92 N HN 0.314 nan 8.380 nan 0.000 0.478 93 T N -3.132 111.627 114.554 0.341 0.000 2.909 93 T HA 0.240 4.591 4.350 0.001 0.000 0.289 93 T C 1.766 176.633 174.700 0.279 0.000 1.005 93 T CA -0.713 61.555 62.100 0.280 0.000 1.084 93 T CB 1.586 70.568 68.868 0.190 0.000 0.975 93 T HN -0.207 nan 8.240 nan 0.000 0.509 94 V N 1.705 121.755 119.914 0.227 0.000 2.317 94 V HA -0.174 3.947 4.120 0.001 0.000 0.251 94 V C 2.912 179.066 176.094 0.100 0.000 1.065 94 V CA 1.972 64.385 62.300 0.189 0.000 1.049 94 V CB -0.819 31.057 31.823 0.088 0.000 0.651 94 V HN 0.900 nan 8.190 nan 0.000 0.450 95 E N -0.607 119.585 120.200 -0.013 0.000 2.085 95 E HA -0.215 4.136 4.350 0.001 0.000 0.194 95 E C 2.141 178.665 176.600 -0.127 0.000 0.994 95 E CA 1.663 57.982 56.400 -0.135 0.000 0.801 95 E CB -0.280 29.229 29.700 -0.319 0.000 0.743 95 E HN 0.761 nan 8.360 nan 0.000 0.453 96 Y N 1.156 121.531 120.300 0.124 0.000 2.395 96 Y HA -0.057 4.494 4.550 0.001 0.000 0.293 96 Y C 2.450 178.385 175.900 0.057 0.000 1.123 96 Y CA 0.609 58.768 58.100 0.098 0.000 1.227 96 Y CB -0.203 38.304 38.460 0.079 0.000 1.012 96 Y HN 0.023 nan 8.280 nan 0.000 0.552 97 Q N 0.473 120.392 119.800 0.198 0.000 2.167 97 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 97 Q C 1.854 177.935 176.000 0.135 0.000 0.970 97 Q CA 1.186 57.075 55.803 0.143 0.000 0.855 97 Q CB -0.173 28.665 28.738 0.167 0.000 0.911 97 Q HN 0.506 nan 8.270 nan 0.000 0.438 98 K N 0.515 120.988 120.400 0.122 0.000 2.116 98 K HA 0.021 4.341 4.320 0.001 0.000 0.203 98 K C 0.498 177.158 176.600 0.099 0.000 1.052 98 K CA 0.598 56.941 56.287 0.092 0.000 0.952 98 K CB 0.291 32.829 32.500 0.063 0.000 0.729 98 K HN 0.138 nan 8.250 nan 0.000 0.446 99 N N 1.400 120.178 118.700 0.130 0.000 2.886 99 N HA 0.064 4.805 4.740 0.001 0.000 0.285 99 N C 0.266 175.923 175.510 0.245 0.000 1.706 99 N CA -0.018 53.127 53.050 0.157 0.000 0.904 99 N CB 1.168 39.734 38.487 0.132 0.000 1.224 99 N HN 0.021 nan 8.380 nan 0.000 0.488 100 I N 0.844 121.535 120.570 0.201 0.000 2.335 100 I HA -0.207 3.964 4.170 0.001 0.000 0.251 100 I C 0.906 177.150 176.117 0.212 0.000 1.129 100 I CA 1.505 62.924 61.300 0.198 0.000 1.402 100 I CB 0.075 38.144 38.000 0.114 0.000 1.069 100 I HN 0.169 nan 8.210 nan 0.000 0.424 101 D N 0.615 121.137 120.400 0.202 0.000 2.310 101 D HA -0.128 4.513 4.640 0.001 0.000 0.212 101 D C 1.972 178.364 176.300 0.153 0.000 0.965 101 D CA 0.548 54.661 54.000 0.189 0.000 0.879 101 D CB 0.038 40.982 40.800 0.240 0.000 0.921 101 D HN 0.226 nan 8.370 nan 0.000 0.510 102 K N -0.126 120.400 120.400 0.211 0.000 2.365 102 K HA -0.065 4.256 4.320 0.001 0.000 0.199 102 K C 1.656 178.343 176.600 0.144 0.000 1.045 102 K CA -0.002 56.414 56.287 0.215 0.000 0.962 102 K CB -0.358 32.339 32.500 0.328 0.000 0.759 102 K HN 0.210 nan 8.250 nan 0.000 0.469 103 F N 1.732 121.634 119.950 -0.080 0.000 2.365 103 F HA -0.179 4.349 4.527 0.001 0.000 0.300 103 F C 1.782 177.456 175.800 -0.210 0.000 1.090 103 F CA 0.561 58.354 58.000 -0.345 0.000 1.408 103 F CB -0.148 38.624 39.000 -0.381 0.000 1.060 103 F HN -0.231 nan 8.300 nan 0.000 0.534 104 V N -0.946 118.864 119.914 -0.174 0.000 2.392 104 V HA -0.329 3.792 4.120 0.001 0.000 0.249 104 V C 1.901 177.800 176.094 -0.324 0.000 1.059 104 V CA 2.321 64.472 62.300 -0.248 0.000 1.051 104 V CB -1.406 30.291 31.823 -0.210 0.000 0.658 104 V HN 0.313 nan 8.190 nan 0.000 0.455 105 N N 0.681 119.221 118.700 -0.268 0.000 2.142 105 N HA -0.106 4.635 4.740 0.001 0.000 0.186 105 N C 1.723 177.058 175.510 -0.291 0.000 1.023 105 N CA 1.510 54.430 53.050 -0.217 0.000 0.852 105 N CB -0.388 38.032 38.487 -0.111 0.000 0.998 105 N HN 0.365 nan 8.380 nan 0.000 0.424 106 V N 1.455 121.096 119.914 -0.455 0.000 2.287 106 V HA -0.234 3.887 4.120 0.001 0.000 0.248 106 V C 2.070 177.832 176.094 -0.554 0.000 1.053 106 V CA 1.482 63.465 62.300 -0.528 0.000 1.027 106 V CB -0.585 30.705 31.823 -0.888 0.000 0.646 106 V HN 0.314 nan 8.190 nan 0.000 0.447 107 I N -0.446 119.673 120.570 -0.752 0.000 2.118 107 I HA -0.307 3.864 4.170 0.001 0.000 0.241 107 I C 2.808 178.661 176.117 -0.440 0.000 1.070 107 I CA 1.575 62.483 61.300 -0.653 0.000 1.327 107 I CB -0.557 37.100 38.000 -0.572 0.000 1.034 107 I HN 0.335 nan 8.210 nan 0.000 0.405 108 Q N 0.584 120.187 119.800 -0.329 0.000 2.096 108 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 108 Q C 2.329 178.228 176.000 -0.168 0.000 0.982 108 Q CA 1.914 57.583 55.803 -0.222 0.000 0.850 108 Q CB -0.745 27.878 28.738 -0.191 0.000 0.901 108 Q HN 0.654 nan 8.270 nan 0.000 0.422 109 G N 1.174 109.873 108.800 -0.168 0.000 2.470 109 G HA2 -0.238 3.723 3.960 0.001 0.000 0.220 109 G HA3 -0.238 3.723 3.960 0.001 0.000 0.220 109 G C 1.047 175.900 174.900 -0.079 0.000 1.121 109 G CA 0.884 45.920 45.100 -0.107 0.000 0.766 109 G HN 0.527 nan 8.290 nan 0.000 0.553 110 Q N -0.693 119.042 119.800 -0.108 0.000 2.157 110 Q HA 0.472 4.813 4.340 0.001 0.000 0.229 110 Q C -0.203 175.783 176.000 -0.024 0.000 0.827 110 Q CA -0.283 55.496 55.803 -0.040 0.000 1.055 110 Q CB 0.236 28.976 28.738 0.004 0.000 1.157 110 Q HN 0.254 nan 8.270 nan 0.000 0.482 111 L N 2.030 123.218 121.223 -0.060 0.000 2.298 111 L HA 0.543 4.884 4.340 0.001 0.000 0.284 111 L C -0.709 176.161 176.870 -0.001 0.000 1.013 111 L CA -0.707 54.119 54.840 -0.023 0.000 0.824 111 L CB 1.646 43.661 42.059 -0.073 0.000 1.221 111 L HN 0.239 nan 8.230 nan 0.000 0.418 112 M N 2.182 121.806 119.600 0.041 0.000 2.227 112 M HA 0.333 4.814 4.480 0.001 0.000 0.335 112 M C -0.042 176.289 176.300 0.053 0.000 1.053 112 M CA -0.463 54.866 55.300 0.049 0.000 0.973 112 M CB 1.546 34.200 32.600 0.089 0.000 1.623 112 M HN 0.374 nan 8.290 nan 0.000 0.434 113 S N 1.746 117.465 115.700 0.032 0.000 2.560 113 S HA 0.159 4.629 4.470 0.001 0.000 0.284 113 S C 1.586 176.216 174.600 0.050 0.000 1.327 113 S CA -0.536 57.683 58.200 0.032 0.000 1.055 113 S CB 0.988 64.195 63.200 0.012 0.000 0.868 113 S HN 0.534 nan 8.310 nan 0.000 0.506 114 V N 2.275 122.230 119.914 0.069 0.000 2.346 114 V HA 0.027 4.148 4.120 0.001 0.000 0.244 114 V C 1.141 177.232 176.094 -0.004 0.000 1.037 114 V CA 1.308 63.638 62.300 0.050 0.000 1.029 114 V CB 0.155 32.034 31.823 0.094 0.000 0.663 114 V HN 0.779 nan 8.190 nan 0.000 0.454 115 S N -0.493 115.226 115.700 0.032 0.000 2.776 115 S HA 0.531 5.002 4.470 0.001 0.000 0.284 115 S C -1.124 173.480 174.600 0.008 0.000 1.160 115 S CA -0.428 57.760 58.200 -0.021 0.000 1.051 115 S CB 1.501 64.658 63.200 -0.072 0.000 1.037 115 S HN -0.009 nan 8.310 nan 0.000 0.485 116 V N 7.999 127.903 119.914 -0.017 0.000 2.357 116 V HA 0.531 4.652 4.120 0.001 0.000 0.284 116 V C -1.899 174.177 176.094 -0.030 0.000 1.018 116 V CA -1.753 60.535 62.300 -0.020 0.000 0.841 116 V CB 1.433 33.243 31.823 -0.021 0.000 0.991 116 V HN 0.699 nan 8.190 nan 0.000 0.437 117 P HA 0.142 nan 4.420 nan 0.000 0.274 117 P C -0.119 177.153 177.300 -0.045 0.000 1.260 117 P CA -0.127 62.952 63.100 -0.035 0.000 0.793 117 P CB 0.822 32.502 31.700 -0.033 0.000 1.048 118 V N 1.898 121.787 119.914 -0.042 0.000 2.599 118 V HA -0.043 4.078 4.120 0.001 0.000 0.300 118 V C 1.269 177.301 176.094 -0.104 0.000 1.034 118 V CA 0.202 62.470 62.300 -0.054 0.000 1.115 118 V CB -0.856 30.956 31.823 -0.017 0.000 0.934 118 V HN 0.607 nan 8.190 nan 0.000 0.485 119 N N 3.876 122.506 118.700 -0.117 0.000 2.458 119 N HA 0.092 4.833 4.740 0.001 0.000 0.270 119 N C 0.600 175.924 175.510 -0.310 0.000 1.102 119 N CA 0.377 53.332 53.050 -0.159 0.000 0.967 119 N CB 1.551 39.976 38.487 -0.104 0.000 1.078 119 N HN 0.864 nan 8.380 nan 0.000 0.471 120 T N 1.031 115.289 114.554 -0.493 0.000 3.252 120 T HA 0.264 4.615 4.350 0.001 0.000 0.286 120 T C 0.788 175.053 174.700 -0.725 0.000 1.013 120 T CA -0.466 60.931 62.100 -1.172 0.000 0.914 120 T CB -0.467 67.817 68.868 -0.973 0.000 1.131 120 T HN 0.285 nan 8.240 nan 0.000 0.529 121 L N 2.121 123.171 121.223 -0.289 0.000 2.455 121 L HA 0.346 4.686 4.340 0.001 0.000 0.272 121 L C 0.051 176.979 176.870 0.098 0.000 1.174 121 L CA -0.636 54.154 54.840 -0.083 0.000 0.869 121 L CB 0.797 42.831 42.059 -0.042 0.000 1.130 121 L HN 0.094 nan 8.230 nan 0.000 0.474 122 V N 4.751 124.741 119.914 0.127 0.000 2.432 122 V HA 0.197 4.317 4.120 0.001 0.000 0.275 122 V C 0.208 176.365 176.094 0.105 0.000 1.043 122 V CA -0.503 61.914 62.300 0.195 0.000 0.925 122 V CB 1.639 33.561 31.823 0.165 0.000 0.985 122 V HN 0.420 nan 8.190 nan 0.000 0.466 123 V N 5.263 125.236 119.914 0.098 0.000 2.313 123 V HA 0.352 4.473 4.120 0.001 0.000 0.278 123 V C 0.159 176.277 176.094 0.041 0.000 1.017 123 V CA -0.420 61.915 62.300 0.059 0.000 0.823 123 V CB 1.331 33.190 31.823 0.059 0.000 1.010 123 V HN 1.064 nan 8.190 nan 0.000 0.443 124 D N 2.061 122.478 120.400 0.029 0.000 2.538 124 D HA 0.002 4.643 4.640 0.001 0.000 0.231 124 D C 1.117 177.423 176.300 0.010 0.000 1.229 124 D CA 0.181 54.189 54.000 0.014 0.000 0.828 124 D CB 0.413 41.220 40.800 0.012 0.000 1.035 124 D HN 0.544 nan 8.370 nan 0.000 0.495 125 T N -1.566 112.997 114.554 0.015 0.000 3.243 125 T HA 0.338 4.689 4.350 0.001 0.000 0.264 125 T C 0.691 175.400 174.700 0.015 0.000 1.000 125 T CA -0.560 61.547 62.100 0.012 0.000 0.901 125 T CB -0.339 68.537 68.868 0.013 0.000 1.083 125 T HN 0.014 nan 8.240 nan 0.000 0.559 126 L N 2.144 123.376 121.223 0.016 0.000 2.461 126 L HA 0.288 4.628 4.340 0.001 0.000 0.272 126 L C 1.138 178.017 176.870 0.015 0.000 1.197 126 L CA -0.500 54.353 54.840 0.021 0.000 0.836 126 L CB 0.522 42.596 42.059 0.026 0.000 1.105 126 L HN 0.295 nan 8.230 nan 0.000 0.477 127 S N 2.700 118.412 115.700 0.020 0.000 2.558 127 S HA 0.068 4.539 4.470 0.001 0.000 0.288 127 S C -1.404 173.202 174.600 0.010 0.000 1.318 127 S CA -0.989 57.221 58.200 0.016 0.000 1.056 127 S CB 0.685 63.898 63.200 0.022 0.000 0.853 127 S HN 0.420 nan 8.310 nan 0.000 0.505 128 P HA -0.064 nan 4.420 nan 0.000 0.221 128 P C 1.292 178.592 177.300 0.001 0.000 1.145 128 P CA 1.287 64.383 63.100 -0.006 0.000 0.795 128 P CB -0.308 31.388 31.700 -0.007 0.000 0.775 129 T N -5.661 108.903 114.554 0.016 0.000 3.088 129 T HA 0.108 4.459 4.350 0.001 0.000 0.259 129 T C 0.999 175.731 174.700 0.053 0.000 1.122 129 T CA 0.010 62.127 62.100 0.029 0.000 1.095 129 T CB -0.531 68.355 68.868 0.030 0.000 0.930 129 T HN -0.104 nan 8.240 nan 0.000 0.508 130 S N 1.301 117.034 115.700 0.055 0.000 2.580 130 S HA 0.331 4.801 4.470 0.001 0.000 0.274 130 S C -0.635 174.043 174.600 0.130 0.000 1.329 130 S CA -0.986 57.274 58.200 0.099 0.000 1.036 130 S CB 0.242 63.494 63.200 0.087 0.000 0.919 130 S HN 0.605 nan 8.310 nan 0.000 0.515 131 W N 3.850 125.158 121.300 0.013 0.000 2.253 131 W HA 0.318 4.978 4.660 0.001 0.000 0.322 131 W C 0.124 176.658 176.519 0.025 0.000 1.342 131 W CA -0.015 57.338 57.345 0.013 0.000 1.218 131 W CB 0.171 29.639 29.460 0.013 0.000 1.205 131 W HN 0.610 nan 8.180 nan 0.000 0.551 132 Q N 4.867 124.300 119.800 -0.611 0.000 2.379 132 Q HA 0.766 5.107 4.340 0.001 0.000 0.278 132 Q C -1.278 174.159 176.000 -0.938 0.000 1.068 132 Q CA -1.209 54.279 55.803 -0.525 0.000 0.816 132 Q CB 1.623 30.234 28.738 -0.212 0.000 1.387 132 Q HN 0.543 nan 8.270 nan 0.000 0.413 133 A N 1.389 123.859 122.820 -0.583 0.000 2.322 133 A HA 0.447 4.767 4.320 0.001 0.000 0.269 133 A C 0.380 177.786 177.584 -0.297 0.000 1.094 133 A CA -0.403 51.383 52.037 -0.419 0.000 0.807 133 A CB 0.966 20.125 19.000 0.265 0.000 1.047 133 A HN 0.812 nan 8.150 nan 0.000 0.487 134 S N -0.699 114.856 115.700 -0.242 0.000 2.524 134 S HA 0.124 4.595 4.470 0.001 0.000 0.216 134 S C 0.813 175.302 174.600 -0.184 0.000 0.987 134 S CA 0.864 58.943 58.200 -0.202 0.000 0.909 134 S CB -0.177 62.931 63.200 -0.154 0.000 0.781 134 S HN 1.111 nan 8.310 nan 0.000 0.521 135 T N -1.561 112.920 114.554 -0.120 0.000 2.841 135 T HA 0.638 4.989 4.350 0.001 0.000 0.296 135 T C -1.052 173.624 174.700 -0.041 0.000 1.166 135 T CA -0.737 61.304 62.100 -0.097 0.000 1.007 135 T CB 0.756 69.661 68.868 0.063 0.000 1.253 135 T HN -0.089 nan 8.240 nan 0.000 0.511 136 F N 2.897 122.923 119.950 0.128 0.000 2.425 136 F HA 0.428 4.956 4.527 0.001 0.000 0.354 136 F C 0.357 176.203 175.800 0.076 0.000 1.162 136 F CA -1.721 56.310 58.000 0.052 0.000 1.250 136 F CB -0.628 38.373 39.000 0.002 0.000 1.579 136 F HN 0.567 nan 8.300 nan 0.000 0.589 137 F N -0.573 119.480 119.950 0.171 0.000 2.390 137 F HA 0.566 5.094 4.527 0.001 0.000 0.307 137 F C 0.011 175.883 175.800 0.119 0.000 1.227 137 F CA -1.653 56.424 58.000 0.128 0.000 1.179 137 F CB -0.287 38.782 39.000 0.115 0.000 1.280 137 F HN -0.150 nan 8.300 nan 0.000 0.548 138 V N 2.388 122.447 119.914 0.242 0.000 2.421 138 V HA 0.287 4.407 4.120 0.001 0.000 0.271 138 V C 0.128 176.261 176.094 0.064 0.000 1.031 138 V CA -0.050 62.310 62.300 0.100 0.000 1.032 138 V CB -0.642 31.255 31.823 0.123 0.000 1.009 138 V HN 0.704 nan 8.190 nan 0.000 0.477 139 R N 3.755 124.192 120.500 -0.105 0.000 2.771 139 R HA 0.461 4.801 4.340 0.001 0.000 0.274 139 R C 0.073 176.333 176.300 -0.065 0.000 0.987 139 R CA -0.934 55.077 56.100 -0.148 0.000 0.908 139 R CB 1.393 31.471 30.300 -0.370 0.000 1.213 139 R HN 0.692 nan 8.270 nan 0.000 0.468 140 N N 0.686 119.370 118.700 -0.026 0.000 2.725 140 N HA -0.191 4.550 4.740 0.001 0.000 0.249 140 N C 0.420 175.920 175.510 -0.017 0.000 1.103 140 N CA 1.568 54.605 53.050 -0.021 0.000 0.707 140 N CB -1.138 37.328 38.487 -0.034 0.000 1.043 140 N HN 1.081 nan 8.380 nan 0.000 0.553 141 G N -1.661 107.135 108.800 -0.007 0.000 2.143 141 G HA2 -0.316 3.644 3.960 0.001 0.000 0.248 141 G HA3 -0.316 3.644 3.960 0.001 0.000 0.248 141 G C 0.275 175.170 174.900 -0.008 0.000 0.991 141 G CA 0.878 45.977 45.100 -0.002 0.000 0.689 141 G HN 1.308 nan 8.290 nan 0.000 0.522 142 S N -0.697 114.993 115.700 -0.017 0.000 2.593 142 S HA 0.532 5.002 4.470 0.001 0.000 0.269 142 S C 0.087 174.677 174.600 -0.016 0.000 1.334 142 S CA -0.049 58.137 58.200 -0.023 0.000 1.015 142 S CB 1.890 65.068 63.200 -0.037 0.000 0.912 142 S HN 0.653 nan 8.310 nan 0.000 0.541 143 N N 1.874 120.557 118.700 -0.027 0.000 2.501 143 N HA 0.384 5.124 4.740 0.001 0.000 0.245 143 N C -1.854 173.641 175.510 -0.025 0.000 0.974 143 N CA -2.513 50.514 53.050 -0.038 0.000 0.941 143 N CB 1.392 39.829 38.487 -0.082 0.000 1.122 143 N HN 0.367 nan 8.380 nan 0.000 0.507 144 P HA -0.007 nan 4.420 nan 0.000 0.237 144 P C 0.247 177.568 177.300 0.035 0.000 1.178 144 P CA 0.744 63.859 63.100 0.026 0.000 0.766 144 P CB 0.585 32.316 31.700 0.051 0.000 0.876 145 E N -0.204 120.005 120.200 0.014 0.000 2.285 145 E HA -0.079 4.271 4.350 0.001 0.000 0.194 145 E C 0.851 177.464 176.600 0.022 0.000 0.997 145 E CA 0.481 56.910 56.400 0.049 0.000 0.845 145 E CB -0.076 29.612 29.700 -0.020 0.000 0.782 145 E HN 0.284 nan 8.360 nan 0.000 0.491 146 Q N 2.334 122.110 119.800 -0.039 0.000 2.296 146 Q HA 0.020 4.361 4.340 0.001 0.000 0.263 146 Q C -0.845 175.166 176.000 0.018 0.000 1.026 146 Q CA -0.120 55.663 55.803 -0.033 0.000 0.912 146 Q CB 0.704 29.409 28.738 -0.056 0.000 1.198 146 Q HN -0.173 nan 8.270 nan 0.000 0.407 147 D N 5.967 126.397 120.400 0.049 0.000 2.343 147 D HA 0.096 4.737 4.640 0.001 0.000 0.255 147 D C -1.732 174.584 176.300 0.027 0.000 1.187 147 D CA -2.039 51.988 54.000 0.045 0.000 0.875 147 D CB 1.293 42.133 40.800 0.066 0.000 1.136 147 D HN 0.405 nan 8.370 nan 0.000 0.469 148 P HA -0.086 nan 4.420 nan 0.000 0.222 148 P C 1.228 178.527 177.300 -0.002 0.000 1.147 148 P CA 0.748 63.843 63.100 -0.007 0.000 0.790 148 P CB 0.332 32.016 31.700 -0.027 0.000 0.780 149 L N -1.314 119.913 121.223 0.006 0.000 2.607 149 L HA 0.182 4.522 4.340 0.001 0.000 0.228 149 L C 1.554 178.434 176.870 0.017 0.000 1.123 149 L CA 0.218 55.062 54.840 0.006 0.000 0.890 149 L CB -0.155 41.905 42.059 0.002 0.000 1.103 149 L HN -0.177 nan 8.230 nan 0.000 0.468 150 R N -0.154 120.367 120.500 0.034 0.000 2.727 150 R HA 0.209 4.550 4.340 0.001 0.000 0.410 150 R C -0.395 175.957 176.300 0.086 0.000 1.101 150 R CA -0.258 55.876 56.100 0.057 0.000 1.045 150 R CB 0.308 30.648 30.300 0.067 0.000 1.380 150 R HN 0.054 nan 8.270 nan 0.000 0.587 151 N N 0.451 119.173 118.700 0.036 0.000 2.432 151 N HA 0.359 5.100 4.740 0.001 0.000 0.292 151 N C -0.789 174.607 175.510 -0.189 0.000 1.193 151 N CA -0.645 52.402 53.050 -0.005 0.000 0.878 151 N CB 1.316 39.804 38.487 0.002 0.000 1.252 151 N HN 0.061 nan 8.380 nan 0.000 0.520 152 L N 2.224 123.154 121.223 -0.489 0.000 2.475 152 L HA 0.203 4.544 4.340 0.001 0.000 0.253 152 L C 1.406 178.063 176.870 -0.355 0.000 1.137 152 L CA -0.260 54.178 54.840 -0.670 0.000 1.058 152 L CB 0.307 41.576 42.059 -1.316 0.000 1.382 152 L HN 0.659 nan 8.230 nan 0.000 0.416 153 S N -0.301 115.292 115.700 -0.178 0.000 2.419 153 S HA -0.120 4.350 4.470 0.001 0.000 0.233 153 S C 1.799 176.355 174.600 -0.074 0.000 1.016 153 S CA 1.008 59.159 58.200 -0.083 0.000 0.974 153 S CB -0.161 63.007 63.200 -0.054 0.000 0.786 153 S HN 0.634 nan 8.310 nan 0.000 0.492 154 G N 0.453 109.193 108.800 -0.101 0.000 2.712 154 G HA2 0.070 4.030 3.960 0.001 0.000 0.212 154 G HA3 0.070 4.030 3.960 0.001 0.000 0.212 154 G C 0.607 175.465 174.900 -0.069 0.000 1.142 154 G CA -0.236 44.819 45.100 -0.075 0.000 0.789 154 G HN 0.382 nan 8.290 nan 0.000 0.535 155 Q N 0.637 120.376 119.800 -0.101 0.000 2.300 155 Q HA 0.498 4.838 4.340 0.001 0.000 0.280 155 Q C -0.126 175.892 176.000 0.029 0.000 1.033 155 Q CA 0.259 56.033 55.803 -0.049 0.000 0.903 155 Q CB 1.361 30.050 28.738 -0.081 0.000 1.195 155 Q HN 0.285 nan 8.270 nan 0.000 0.386 156 A N 2.101 124.946 122.820 0.041 0.000 2.594 156 A HA 0.750 5.070 4.320 0.001 0.000 0.291 156 A C -0.970 176.659 177.584 0.076 0.000 1.105 156 A CA -0.587 51.481 52.037 0.053 0.000 0.694 156 A CB 1.421 20.438 19.000 0.028 0.000 1.291 156 A HN 0.469 nan 8.150 nan 0.000 0.410 157 V N -1.962 118.008 119.914 0.094 0.000 3.001 157 V HA 0.937 5.058 4.120 0.001 0.000 0.314 157 V C -0.456 175.722 176.094 0.139 0.000 1.099 157 V CA -0.534 61.844 62.300 0.130 0.000 0.989 157 V CB 1.635 33.569 31.823 0.185 0.000 1.040 157 V HN 0.863 nan 8.190 nan 0.000 0.434 158 T N 2.919 117.561 114.554 0.147 0.000 2.809 158 T HA 0.554 4.905 4.350 0.001 0.000 0.284 158 T C -0.268 174.491 174.700 0.097 0.000 0.992 158 T CA -0.456 61.724 62.100 0.133 0.000 0.957 158 T CB 0.987 69.967 68.868 0.188 0.000 0.942 158 T HN 0.760 nan 8.240 nan 0.000 0.439 159 R N 2.673 123.216 120.500 0.073 0.000 2.423 159 R HA 0.582 4.922 4.340 0.001 0.000 0.293 159 R C -0.578 175.747 176.300 0.042 0.000 1.196 159 R CA -0.574 55.542 56.100 0.026 0.000 1.262 159 R CB 0.528 30.815 30.300 -0.020 0.000 1.116 159 R HN 0.520 nan 8.270 nan 0.000 0.566 160 V N -1.964 117.975 119.914 0.042 0.000 3.120 160 V HA 0.428 4.549 4.120 0.001 0.000 0.303 160 V C 0.044 176.160 176.094 0.036 0.000 1.238 160 V CA -1.224 61.104 62.300 0.046 0.000 1.008 160 V CB 1.913 33.773 31.823 0.062 0.000 1.064 160 V HN 0.103 nan 8.190 nan 0.000 0.434 161 V N 3.123 123.060 119.914 0.038 0.000 2.540 161 V HA 0.501 4.621 4.120 0.001 0.000 0.297 161 V C 1.674 177.788 176.094 0.033 0.000 1.024 161 V CA 1.958 64.280 62.300 0.036 0.000 1.105 161 V CB 0.043 31.889 31.823 0.038 0.000 0.938 161 V HN 2.019 nan 8.190 nan 0.000 0.482 162 G N 3.340 112.153 108.800 0.022 0.000 2.213 162 G HA2 -0.008 3.953 3.960 0.001 0.000 0.236 162 G HA3 -0.008 3.953 3.960 0.001 0.000 0.236 162 G C 0.978 175.856 174.900 -0.037 0.000 0.991 162 G CA 0.230 45.330 45.100 0.001 0.000 0.629 162 G HN 2.088 nan 8.290 nan 0.000 0.517 163 G N 0.189 108.979 108.800 -0.017 0.000 2.581 163 G HA2 -0.267 3.694 3.960 0.001 0.000 0.291 163 G HA3 -0.267 3.694 3.960 0.001 0.000 0.291 163 G C 1.182 176.033 174.900 -0.082 0.000 1.277 163 G CA 1.197 46.281 45.100 -0.027 0.000 0.959 163 G HN 1.102 nan 8.290 nan 0.000 0.554 164 M N 1.510 121.027 119.600 -0.138 0.000 2.539 164 M HA -0.041 4.440 4.480 0.001 0.000 0.261 164 M C 2.706 178.673 176.300 -0.554 0.000 1.069 164 M CA 1.790 56.863 55.300 -0.378 0.000 1.081 164 M CB -0.297 32.174 32.600 -0.214 0.000 1.412 164 M HN 0.722 nan 8.290 nan 0.000 0.482 165 S N -0.621 114.819 115.700 -0.434 0.000 2.555 165 S HA -0.071 4.400 4.470 0.001 0.000 0.230 165 S C 1.727 176.195 174.600 -0.219 0.000 0.978 165 S CA 1.174 59.028 58.200 -0.577 0.000 0.934 165 S CB -0.937 61.953 63.200 -0.517 0.000 0.766 165 S HN 0.585 nan 8.310 nan 0.000 0.533 166 T N -0.432 114.002 114.554 -0.200 0.000 3.072 166 T HA -0.039 4.312 4.350 0.001 0.000 0.266 166 T C 1.431 175.985 174.700 -0.243 0.000 1.127 166 T CA 1.050 63.066 62.100 -0.140 0.000 1.107 166 T CB -0.699 68.180 68.868 0.019 0.000 0.910 166 T HN 0.912 nan 8.240 nan 0.000 0.513 167 H N -2.084 116.915 119.070 -0.119 0.000 3.680 167 H HA 0.182 4.739 4.556 0.001 0.000 0.260 167 H C 0.669 176.200 175.328 0.339 0.000 1.183 167 H CA -0.973 55.142 56.048 0.112 0.000 1.159 167 H CB -0.613 29.240 29.762 0.151 0.000 1.567 167 H HN 0.492 nan 8.280 nan 0.000 0.648 168 W N 3.071 124.309 121.300 -0.103 0.000 2.073 168 W HA 0.185 4.846 4.660 0.001 0.000 0.358 168 W C -0.143 176.498 176.519 0.203 0.000 1.321 168 W CA 0.297 57.697 57.345 0.092 0.000 1.317 168 W CB -0.219 29.231 29.460 -0.017 0.000 1.226 168 W HN -0.144 nan 8.180 nan 0.000 0.622 169 T N 0.993 115.532 114.554 -0.024 0.000 3.081 169 T HA 0.029 4.380 4.350 0.001 0.000 0.255 169 T C 1.025 175.365 174.700 -0.600 0.000 1.113 169 T CA 1.021 62.966 62.100 -0.259 0.000 1.082 169 T CB -0.457 68.412 68.868 0.001 0.000 0.939 169 T HN 0.679 nan 8.240 nan 0.000 0.506 170 C N 0.949 119.501 119.300 -1.247 0.000 4.761 170 C HA -0.096 4.365 4.460 0.001 0.000 0.250 170 C C 1.071 175.575 174.990 -0.810 0.000 1.232 170 C CA -0.718 57.290 59.018 -1.684 0.000 1.596 170 C CB -2.489 24.803 27.740 -0.746 0.000 1.604 170 C HN 0.763 nan 8.230 nan 0.000 0.685 171 A N 1.142 123.681 122.820 -0.469 0.000 2.404 171 A HA 0.573 4.894 4.320 0.001 0.000 0.273 171 A C 0.738 178.231 177.584 -0.150 0.000 1.144 171 A CA 1.106 53.029 52.037 -0.189 0.000 0.806 171 A CB 0.175 19.144 19.000 -0.052 0.000 1.080 171 A HN 1.355 nan 8.150 nan 0.000 0.509 172 T N 1.623 116.110 114.554 -0.112 0.000 3.410 172 T HA 0.506 4.857 4.350 0.001 0.000 0.328 172 T C -2.690 171.970 174.700 -0.068 0.000 1.567 172 T CA -1.503 60.564 62.100 -0.054 0.000 1.626 172 T CB 0.571 69.430 68.868 -0.015 0.000 0.939 172 T HN 0.456 nan 8.240 nan 0.000 0.656 173 P HA 0.343 nan 4.420 nan 0.000 0.274 173 P C -0.197 176.982 177.300 -0.202 0.000 1.231 173 P CA -0.578 62.437 63.100 -0.141 0.000 0.790 173 P CB 1.114 32.702 31.700 -0.185 0.000 0.951 174 R N 1.153 121.456 120.500 -0.328 0.000 2.582 174 R HA 0.371 4.712 4.340 0.001 0.000 0.271 174 R C 0.120 176.318 176.300 -0.171 0.000 1.078 174 R CA -0.454 55.268 56.100 -0.630 0.000 1.127 174 R CB 0.170 29.928 30.300 -0.903 0.000 1.038 174 R HN 0.375 nan 8.270 nan 0.000 0.500 175 F N 2.082 121.814 119.950 -0.364 0.000 2.412 175 F HA 0.037 4.564 4.527 0.001 0.000 0.348 175 F C 0.954 176.572 175.800 -0.304 0.000 1.102 175 F CA -1.422 56.386 58.000 -0.320 0.000 1.196 175 F CB 0.252 39.056 39.000 -0.327 0.000 1.144 175 F HN 0.537 nan 8.300 nan 0.000 0.541 176 D N 2.521 122.836 120.400 -0.141 0.000 2.377 176 D HA 0.134 4.774 4.640 0.001 0.000 0.245 176 D C 1.115 177.322 176.300 -0.154 0.000 1.196 176 D CA -0.442 53.478 54.000 -0.133 0.000 0.962 176 D CB 0.552 41.289 40.800 -0.105 0.000 1.127 176 D HN 0.451 nan 8.370 nan 0.000 0.471 177 R N 0.119 120.555 120.500 -0.108 0.000 2.136 177 R HA -0.235 4.106 4.340 0.001 0.000 0.242 177 R C 1.967 178.209 176.300 -0.097 0.000 1.131 177 R CA 1.969 58.014 56.100 -0.091 0.000 0.937 177 R CB -0.466 29.815 30.300 -0.032 0.000 0.863 177 R HN 0.652 nan 8.270 nan 0.000 0.435 178 E N 0.427 120.573 120.200 -0.091 0.000 2.169 178 E HA -0.276 4.075 4.350 0.001 0.000 0.202 178 E C 1.932 178.433 176.600 -0.166 0.000 1.016 178 E CA 1.622 57.973 56.400 -0.083 0.000 0.817 178 E CB -0.004 29.682 29.700 -0.024 0.000 0.736 178 E HN 0.488 nan 8.360 nan 0.000 0.462 179 Q N -0.708 118.897 119.800 -0.325 0.000 2.384 179 Q HA 0.095 4.436 4.340 0.001 0.000 0.207 179 Q C 0.601 176.513 176.000 -0.148 0.000 0.904 179 Q CA -0.082 55.468 55.803 -0.422 0.000 0.933 179 Q CB 0.597 28.763 28.738 -0.953 0.000 1.077 179 Q HN -0.039 nan 8.270 nan 0.000 0.522 180 R N 1.755 122.201 120.500 -0.090 0.000 2.474 180 R HA 0.280 4.621 4.340 0.001 0.000 0.295 180 R C -2.540 173.733 176.300 -0.044 0.000 0.980 180 R CA -2.128 53.918 56.100 -0.090 0.000 0.934 180 R CB 0.882 30.945 30.300 -0.395 0.000 1.101 180 R HN -0.135 nan 8.270 nan 0.000 0.469 181 P HA 0.016 nan 4.420 nan 0.000 0.271 181 P C -0.589 176.852 177.300 0.235 0.000 1.218 181 P CA -0.055 63.118 63.100 0.122 0.000 0.780 181 P CB 0.532 32.325 31.700 0.154 0.000 0.901 182 L N 3.145 124.469 121.223 0.170 0.000 2.416 182 L HA 0.115 4.456 4.340 0.001 0.000 0.272 182 L C 1.561 178.552 176.870 0.201 0.000 1.161 182 L CA 0.002 55.005 54.840 0.272 0.000 0.845 182 L CB 0.281 42.544 42.059 0.339 0.000 1.119 182 L HN 0.415 nan 8.230 nan 0.000 0.464 183 L N 3.653 125.062 121.223 0.310 0.000 2.500 183 L HA 0.207 4.548 4.340 0.001 0.000 0.219 183 L C -0.159 176.886 176.870 0.292 0.000 1.057 183 L CA 0.315 55.236 54.840 0.134 0.000 0.854 183 L CB 0.803 42.754 42.059 -0.181 0.000 1.078 183 L HN 0.322 nan 8.230 nan 0.000 0.480 184 V N 1.304 121.400 119.914 0.305 0.000 2.531 184 V HA 0.224 4.345 4.120 0.001 0.000 0.301 184 V C -0.422 175.782 176.094 0.182 0.000 1.034 184 V CA -0.919 61.504 62.300 0.205 0.000 0.865 184 V CB 1.776 33.666 31.823 0.110 0.000 0.995 184 V HN 0.206 nan 8.190 nan 0.000 0.424 185 K N 2.343 122.728 120.400 -0.024 0.000 2.143 185 K HA 0.543 4.864 4.320 0.001 0.000 0.272 185 K C -0.411 176.159 176.600 -0.051 0.000 1.001 185 K CA -0.492 55.742 56.287 -0.089 0.000 0.915 185 K CB 1.010 33.284 32.500 -0.376 0.000 1.047 185 K HN 0.569 nan 8.250 nan 0.000 0.458 186 D N 0.346 120.742 120.400 -0.005 0.000 3.041 186 D HA -0.158 4.482 4.640 0.001 0.000 0.220 186 D C -0.864 175.444 176.300 0.013 0.000 1.157 186 D CA 1.428 55.428 54.000 -0.000 0.000 0.876 186 D CB -0.943 39.842 40.800 -0.025 0.000 1.107 186 D HN 0.801 nan 8.370 nan 0.000 0.422 187 D N -1.000 119.420 120.400 0.033 0.000 2.381 187 D HA 0.502 5.142 4.640 0.001 0.000 0.245 187 D C 1.030 177.368 176.300 0.064 0.000 1.297 187 D CA 0.183 54.208 54.000 0.040 0.000 0.931 187 D CB 0.615 41.433 40.800 0.030 0.000 1.334 187 D HN -0.002 nan 8.370 nan 0.000 0.535 188 A N 2.511 125.370 122.820 0.064 0.000 1.948 188 A HA -0.195 4.126 4.320 0.001 0.000 0.220 188 A C 1.595 179.228 177.584 0.081 0.000 1.177 188 A CA 1.516 53.599 52.037 0.077 0.000 0.636 188 A CB 0.024 19.060 19.000 0.060 0.000 0.815 188 A HN 0.449 nan 8.150 nan 0.000 0.449 189 D N -0.415 120.023 120.400 0.064 0.000 2.183 189 D HA 0.111 4.752 4.640 0.001 0.000 0.205 189 D C 2.256 178.596 176.300 0.067 0.000 0.962 189 D CA 1.225 55.262 54.000 0.062 0.000 0.849 189 D CB -0.473 40.355 40.800 0.045 0.000 0.978 189 D HN 0.404 nan 8.370 nan 0.000 0.488 190 A N 1.058 123.914 122.820 0.060 0.000 1.908 190 A HA -0.232 4.089 4.320 0.001 0.000 0.218 190 A C 1.964 179.596 177.584 0.079 0.000 1.181 190 A CA 2.105 54.175 52.037 0.055 0.000 0.627 190 A CB -0.634 18.392 19.000 0.042 0.000 0.818 190 A HN 0.182 nan 8.150 nan 0.000 0.445 191 D N -0.490 119.981 120.400 0.118 0.000 2.117 191 D HA -0.141 4.500 4.640 0.001 0.000 0.198 191 D C 1.307 177.769 176.300 0.270 0.000 0.982 191 D CA 1.441 55.559 54.000 0.196 0.000 0.828 191 D CB -0.108 40.832 40.800 0.235 0.000 0.967 191 D HN 0.348 nan 8.370 nan 0.000 0.464 192 D N -0.005 120.519 120.400 0.206 0.000 2.104 192 D HA -0.152 4.488 4.640 0.001 0.000 0.194 192 D C 2.036 178.447 176.300 0.184 0.000 0.994 192 D CA 1.492 55.614 54.000 0.203 0.000 0.830 192 D CB -0.647 40.229 40.800 0.126 0.000 0.959 192 D HN 0.319 nan 8.370 nan 0.000 0.452 193 A N 0.807 123.697 122.820 0.116 0.000 1.883 193 A HA -0.251 4.069 4.320 0.001 0.000 0.217 193 A C 2.168 179.783 177.584 0.052 0.000 1.186 193 A CA 2.215 54.297 52.037 0.076 0.000 0.624 193 A CB -0.695 18.333 19.000 0.046 0.000 0.822 193 A HN 0.265 nan 8.150 nan 0.000 0.444 194 E N -1.076 119.135 120.200 0.018 0.000 2.051 194 E HA -0.225 4.125 4.350 0.001 0.000 0.192 194 E C 1.720 178.231 176.600 -0.149 0.000 0.991 194 E CA 1.684 58.026 56.400 -0.097 0.000 0.799 194 E CB -0.476 29.125 29.700 -0.165 0.000 0.748 194 E HN 0.722 nan 8.360 nan 0.000 0.449 195 W N 0.773 122.047 121.300 -0.042 0.000 2.358 195 W HA -0.108 4.552 4.660 0.001 0.000 0.303 195 W C 2.192 178.727 176.519 0.027 0.000 1.208 195 W CA 1.311 58.604 57.345 -0.087 0.000 1.274 195 W CB -0.424 29.028 29.460 -0.013 0.000 1.138 195 W HN 0.267 nan 8.180 nan 0.000 0.515 196 D N -0.088 120.495 120.400 0.305 0.000 2.123 196 D HA -0.215 4.426 4.640 0.001 0.000 0.196 196 D C 2.146 178.526 176.300 0.133 0.000 0.992 196 D CA 1.490 55.631 54.000 0.234 0.000 0.833 196 D CB -0.198 40.691 40.800 0.149 0.000 0.954 196 D HN -0.046 nan 8.370 nan 0.000 0.455 197 R N -0.459 120.069 120.500 0.047 0.000 2.081 197 R HA -0.074 4.267 4.340 0.001 0.000 0.235 197 R C 2.448 178.710 176.300 -0.062 0.000 1.131 197 R CA 1.044 57.134 56.100 -0.018 0.000 0.960 197 R CB -0.223 30.044 30.300 -0.054 0.000 0.856 197 R HN 0.273 nan 8.270 nan 0.000 0.436 198 L N -0.841 120.313 121.223 -0.116 0.000 2.027 198 L HA -0.172 4.168 4.340 0.001 0.000 0.206 198 L C 2.253 179.071 176.870 -0.087 0.000 1.074 198 L CA 1.126 55.848 54.840 -0.198 0.000 0.745 198 L CB -0.570 41.252 42.059 -0.396 0.000 0.898 198 L HN 0.198 nan 8.230 nan 0.000 0.433 199 Y N 0.505 120.815 120.300 0.017 0.000 2.181 199 Y HA -0.228 4.323 4.550 0.001 0.000 0.288 199 Y C 2.883 178.772 175.900 -0.018 0.000 1.146 199 Y CA 1.523 59.643 58.100 0.034 0.000 1.164 199 Y CB -1.154 37.360 38.460 0.091 0.000 0.982 199 Y HN 0.142 nan 8.280 nan 0.000 0.515 200 T N -0.130 114.506 114.554 0.137 0.000 2.635 200 T HA -0.277 4.074 4.350 0.001 0.000 0.267 200 T C 1.980 176.647 174.700 -0.055 0.000 1.040 200 T CA 1.940 64.062 62.100 0.037 0.000 1.156 200 T CB -0.273 68.607 68.868 0.021 0.000 0.863 200 T HN 0.224 nan 8.240 nan 0.000 0.430 201 K N 0.779 121.091 120.400 -0.146 0.000 2.026 201 K HA -0.054 4.267 4.320 0.001 0.000 0.208 201 K C 2.563 178.840 176.600 -0.539 0.000 1.048 201 K CA 1.214 57.285 56.287 -0.359 0.000 0.929 201 K CB -0.348 31.902 32.500 -0.417 0.000 0.713 201 K HN 0.292 nan 8.250 nan 0.000 0.439 202 A N 1.333 123.964 122.820 -0.314 0.000 1.883 202 A HA -0.232 4.089 4.320 0.001 0.000 0.217 202 A C 1.843 179.464 177.584 0.061 0.000 1.186 202 A CA 1.886 53.835 52.037 -0.147 0.000 0.624 202 A CB -0.562 18.450 19.000 0.020 0.000 0.822 202 A HN 0.465 nan 8.150 nan 0.000 0.444 203 E N 0.273 120.535 120.200 0.102 0.000 2.085 203 E HA -0.191 4.160 4.350 0.001 0.000 0.194 203 E C 2.369 179.051 176.600 0.136 0.000 0.994 203 E CA 1.637 58.128 56.400 0.153 0.000 0.801 203 E CB -0.229 29.529 29.700 0.098 0.000 0.743 203 E HN 0.834 nan 8.360 nan 0.000 0.453 204 S N 0.134 115.859 115.700 0.041 0.000 2.383 204 S HA -0.165 4.306 4.470 0.001 0.000 0.227 204 S C 1.901 176.622 174.600 0.202 0.000 1.026 204 S CA 0.696 58.941 58.200 0.075 0.000 0.981 204 S CB -0.433 62.773 63.200 0.011 0.000 0.818 204 S HN 0.202 nan 8.310 nan 0.000 0.472 205 Y N 0.656 120.975 120.300 0.031 0.000 2.181 205 Y HA 0.144 4.695 4.550 0.001 0.000 0.288 205 Y C 2.027 177.956 175.900 0.049 0.000 1.146 205 Y CA -0.216 57.866 58.100 -0.030 0.000 1.164 205 Y CB -1.041 37.317 38.460 -0.170 0.000 0.982 205 Y HN 0.284 nan 8.280 nan 0.000 0.515 206 F N 0.172 120.273 119.950 0.252 0.000 2.710 206 F HA 0.022 4.550 4.527 0.001 0.000 0.298 206 F C 0.831 176.739 175.800 0.181 0.000 1.137 206 F CA 0.326 58.463 58.000 0.228 0.000 1.444 206 F CB -0.237 38.917 39.000 0.256 0.000 1.111 206 F HN -0.003 nan 8.300 nan 0.000 0.580 207 Q N 0.420 120.416 119.800 0.327 0.000 2.478 207 Q HA -0.182 4.158 4.340 0.001 0.000 0.286 207 Q C 0.084 176.172 176.000 0.147 0.000 1.299 207 Q CA 0.723 56.640 55.803 0.190 0.000 0.826 207 Q CB -2.677 26.151 28.738 0.151 0.000 1.199 207 Q HN 0.215 nan 8.270 nan 0.000 0.451 208 T N -0.028 114.627 114.554 0.168 0.000 2.928 208 T HA 0.457 4.808 4.350 0.001 0.000 0.305 208 T C 0.768 175.498 174.700 0.050 0.000 1.035 208 T CA 0.640 62.800 62.100 0.099 0.000 1.145 208 T CB 1.283 70.218 68.868 0.112 0.000 0.963 208 T HN 0.495 nan 8.240 nan 0.000 0.545 209 G N 0.572 109.385 108.800 0.022 0.000 2.660 209 G HA2 0.531 4.492 3.960 0.001 0.000 0.290 209 G HA3 0.531 4.492 3.960 0.001 0.000 0.290 209 G C -0.007 174.899 174.900 0.010 0.000 1.432 209 G CA -0.565 44.540 45.100 0.007 0.000 0.807 209 G HN 0.630 nan 8.290 nan 0.000 0.485 210 T N -2.303 112.257 114.554 0.011 0.000 3.339 210 T HA 0.281 4.632 4.350 0.001 0.000 0.292 210 T C 0.108 174.821 174.700 0.021 0.000 1.012 210 T CA 0.465 62.581 62.100 0.027 0.000 0.937 210 T CB 0.379 69.267 68.868 0.035 0.000 1.164 210 T HN 0.500 nan 8.240 nan 0.000 0.509 211 D N 0.234 120.627 120.400 -0.012 0.000 2.500 211 D HA 0.066 4.707 4.640 0.001 0.000 0.217 211 D C 1.333 177.563 176.300 -0.116 0.000 1.159 211 D CA -0.070 53.901 54.000 -0.049 0.000 0.828 211 D CB -0.058 40.708 40.800 -0.056 0.000 1.039 211 D HN 0.263 nan 8.370 nan 0.000 0.512 212 Q N -0.464 119.264 119.800 -0.120 0.000 2.369 212 Q HA 0.173 4.513 4.340 0.001 0.000 0.206 212 Q C 0.303 175.928 176.000 -0.625 0.000 0.963 212 Q CA 0.883 56.484 55.803 -0.338 0.000 0.894 212 Q CB -0.190 28.331 28.738 -0.363 0.000 0.965 212 Q HN 0.280 nan 8.270 nan 0.000 0.475 213 F N -0.193 119.587 119.950 -0.282 0.000 2.724 213 F HA 0.227 4.755 4.527 0.001 0.000 0.310 213 F C 1.347 176.926 175.800 -0.369 0.000 1.107 213 F CA -0.561 57.227 58.000 -0.354 0.000 1.218 213 F CB 0.346 39.059 39.000 -0.479 0.000 1.042 213 F HN -0.020 nan 8.300 nan 0.000 0.540 214 K N 0.715 121.015 120.400 -0.166 0.000 2.211 214 K HA -0.162 4.158 4.320 0.001 0.000 0.204 214 K C 0.628 177.149 176.600 -0.133 0.000 1.047 214 K CA 1.859 58.098 56.287 -0.079 0.000 0.935 214 K CB -0.210 32.234 32.500 -0.093 0.000 0.728 214 K HN 0.334 nan 8.250 nan 0.000 0.452 215 E N 1.592 121.598 120.200 -0.323 0.000 2.496 215 E HA 0.056 4.407 4.350 0.001 0.000 0.200 215 E C -0.736 175.715 176.600 -0.249 0.000 1.016 215 E CA -0.322 55.677 56.400 -0.668 0.000 0.962 215 E CB 0.945 30.058 29.700 -0.979 0.000 1.071 215 E HN 0.234 nan 8.360 nan 0.000 0.457 216 S N 0.729 116.425 115.700 -0.006 0.000 2.528 216 S HA 0.159 4.629 4.470 0.001 0.000 0.277 216 S C 1.328 176.003 174.600 0.124 0.000 1.297 216 S CA -0.462 57.788 58.200 0.083 0.000 1.052 216 S CB 0.483 63.791 63.200 0.180 0.000 0.917 216 S HN 0.226 nan 8.310 nan 0.000 0.492 217 I N 4.897 125.418 120.570 -0.083 0.000 2.142 217 I HA -0.195 3.976 4.170 0.001 0.000 0.240 217 I C 2.742 178.691 176.117 -0.281 0.000 1.078 217 I CA 1.288 62.286 61.300 -0.503 0.000 1.343 217 I CB -0.296 37.238 38.000 -0.776 0.000 1.046 217 I HN 0.732 nan 8.210 nan 0.000 0.405 218 R N -0.420 120.004 120.500 -0.126 0.000 2.091 218 R HA -0.260 4.080 4.340 0.001 0.000 0.238 218 R C 2.358 178.687 176.300 0.048 0.000 1.136 218 R CA 1.980 58.060 56.100 -0.032 0.000 0.959 218 R CB -0.805 29.489 30.300 -0.009 0.000 0.856 218 R HN 0.452 nan 8.270 nan 0.000 0.437 219 H N 1.166 120.253 119.070 0.029 0.000 2.290 219 H HA -0.071 4.486 4.556 0.001 0.000 0.298 219 H C 1.801 177.193 175.328 0.106 0.000 1.087 219 H CA 1.999 58.086 56.048 0.064 0.000 1.291 219 H CB -0.125 29.707 29.762 0.116 0.000 1.369 219 H HN 0.135 nan 8.280 nan 0.000 0.492 220 N N 0.016 118.806 118.700 0.149 0.000 2.270 220 N HA -0.118 4.623 4.740 0.001 0.000 0.181 220 N C 2.012 177.656 175.510 0.223 0.000 1.016 220 N CA 0.892 54.070 53.050 0.214 0.000 0.870 220 N CB -0.194 38.618 38.487 0.542 0.000 0.979 220 N HN 0.297 nan 8.380 nan 0.000 0.431 221 L N 1.215 122.576 121.223 0.229 0.000 2.042 221 L HA -0.122 4.219 4.340 0.001 0.000 0.210 221 L C 2.082 179.000 176.870 0.081 0.000 1.076 221 L CA 1.374 56.349 54.840 0.225 0.000 0.749 221 L CB -0.467 41.688 42.059 0.161 0.000 0.893 221 L HN -0.116 nan 8.230 nan 0.000 0.432 222 V N -1.108 118.806 119.914 -0.001 0.000 2.346 222 V HA -0.202 3.919 4.120 0.001 0.000 0.244 222 V C 2.372 178.392 176.094 -0.124 0.000 1.037 222 V CA 1.372 63.639 62.300 -0.055 0.000 1.029 222 V CB -0.545 31.221 31.823 -0.096 0.000 0.663 222 V HN 0.464 nan 8.190 nan 0.000 0.454 223 L N 1.154 122.266 121.223 -0.185 0.000 2.013 223 L HA -0.215 4.125 4.340 0.001 0.000 0.212 223 L C 2.209 179.013 176.870 -0.110 0.000 1.073 223 L CA 2.186 56.913 54.840 -0.189 0.000 0.753 223 L CB -0.911 40.996 42.059 -0.254 0.000 0.890 223 L HN 0.336 nan 8.230 nan 0.000 0.432 224 N N -0.356 118.325 118.700 -0.031 0.000 2.142 224 N HA -0.187 4.553 4.740 0.001 0.000 0.186 224 N C 1.840 177.329 175.510 -0.035 0.000 1.023 224 N CA 1.225 54.272 53.050 -0.004 0.000 0.852 224 N CB -0.355 38.156 38.487 0.041 0.000 0.998 224 N HN 0.249 nan 8.380 nan 0.000 0.424 225 K N 1.551 121.930 120.400 -0.035 0.000 2.009 225 K HA 0.032 4.353 4.320 0.001 0.000 0.210 225 K C 1.991 178.541 176.600 -0.082 0.000 1.049 225 K CA 0.994 57.258 56.287 -0.039 0.000 0.929 225 K CB -0.629 31.865 32.500 -0.010 0.000 0.714 225 K HN 0.128 nan 8.250 nan 0.000 0.440 226 L N 0.045 121.157 121.223 -0.186 0.000 2.046 226 L HA -0.193 4.147 4.340 0.001 0.000 0.208 226 L C 2.302 178.973 176.870 -0.331 0.000 1.077 226 L CA 1.777 56.386 54.840 -0.385 0.000 0.747 226 L CB -0.821 40.624 42.059 -1.023 0.000 0.896 226 L HN 0.252 nan 8.230 nan 0.000 0.432 227 T N -0.830 113.579 114.554 -0.242 0.000 2.684 227 T HA -0.258 4.092 4.350 0.001 0.000 0.267 227 T C 1.802 176.543 174.700 0.068 0.000 1.036 227 T CA 1.748 63.864 62.100 0.026 0.000 1.148 227 T CB -0.174 68.724 68.868 0.051 0.000 0.863 227 T HN 0.431 nan 8.240 nan 0.000 0.436 228 E N 0.753 120.958 120.200 0.010 0.000 2.051 228 E HA -0.206 4.144 4.350 0.001 0.000 0.192 228 E C 2.049 178.641 176.600 -0.013 0.000 0.991 228 E CA 1.114 57.514 56.400 0.001 0.000 0.799 228 E CB -0.020 29.666 29.700 -0.022 0.000 0.748 228 E HN 0.408 nan 8.360 nan 0.000 0.449 229 E N -0.415 119.761 120.200 -0.039 0.000 2.150 229 E HA -0.153 4.197 4.350 0.001 0.000 0.193 229 E C 0.906 177.357 176.600 -0.248 0.000 0.985 229 E CA 0.881 57.189 56.400 -0.154 0.000 0.814 229 E CB -0.061 29.514 29.700 -0.209 0.000 0.752 229 E HN 0.482 nan 8.360 nan 0.000 0.466 230 Y N 0.481 120.812 120.300 0.051 0.000 2.658 230 Y HA 0.185 4.736 4.550 0.001 0.000 0.276 230 Y C 0.605 176.567 175.900 0.104 0.000 1.167 230 Y CA -0.354 57.816 58.100 0.118 0.000 1.230 230 Y CB 0.380 39.006 38.460 0.277 0.000 1.144 230 Y HN -0.279 nan 8.280 nan 0.000 0.529 231 K N 0.722 121.211 120.400 0.149 0.000 2.436 231 K HA 0.209 4.530 4.320 0.001 0.000 0.282 231 K C 1.116 177.775 176.600 0.098 0.000 1.044 231 K CA 1.198 57.555 56.287 0.116 0.000 1.028 231 K CB 0.041 32.578 32.500 0.062 0.000 0.919 231 K HN 0.636 nan 8.250 nan 0.000 0.474 232 G N 3.292 112.154 108.800 0.103 0.000 2.176 232 G HA2 -0.285 3.675 3.960 0.001 0.000 0.253 232 G HA3 -0.285 3.675 3.960 0.001 0.000 0.253 232 G C 0.619 175.575 174.900 0.094 0.000 0.979 232 G CA 0.589 45.737 45.100 0.080 0.000 0.641 232 G HN 0.715 nan 8.290 nan 0.000 0.530 233 Q N -1.237 118.646 119.800 0.138 0.000 2.534 233 Q HA 0.293 4.634 4.340 0.001 0.000 0.252 233 Q C 1.116 177.197 176.000 0.135 0.000 0.850 233 Q CA 0.236 56.127 55.803 0.146 0.000 0.974 233 Q CB 0.925 29.783 28.738 0.200 0.000 1.205 233 Q HN 0.501 nan 8.270 nan 0.000 0.593 234 R N 0.438 121.025 120.500 0.146 0.000 2.740 234 R HA 0.381 4.722 4.340 0.001 0.000 0.273 234 R C -1.616 174.701 176.300 0.028 0.000 0.998 234 R CA -0.730 55.368 56.100 -0.003 0.000 0.900 234 R CB 1.693 31.791 30.300 -0.335 0.000 1.223 234 R HN -0.043 nan 8.270 nan 0.000 0.466 235 D N 1.601 121.947 120.400 -0.090 0.000 2.168 235 D HA 0.374 5.014 4.640 0.001 0.000 0.246 235 D C -0.705 175.442 176.300 -0.255 0.000 1.050 235 D CA 0.028 54.013 54.000 -0.026 0.000 0.857 235 D CB 1.360 42.160 40.800 0.001 0.000 1.169 235 D HN 0.135 nan 8.370 nan 0.000 0.453 236 F N 0.820 120.768 119.950 -0.003 0.000 2.538 236 F HA 0.366 4.894 4.527 0.001 0.000 0.325 236 F C 0.768 176.575 175.800 0.011 0.000 1.066 236 F CA -0.577 57.413 58.000 -0.016 0.000 0.946 236 F CB 1.807 40.792 39.000 -0.025 0.000 1.199 236 F HN 0.237 nan 8.300 nan 0.000 0.473 237 Q N 0.055 119.958 119.800 0.172 0.000 2.814 237 Q HA 0.333 4.674 4.340 0.001 0.000 0.322 237 Q C -1.615 174.487 176.000 0.170 0.000 0.861 237 Q CA -1.267 54.624 55.803 0.146 0.000 0.773 237 Q CB 1.668 30.461 28.738 0.091 0.000 1.423 237 Q HN 0.613 nan 8.270 nan 0.000 0.495 238 Q N 0.986 120.907 119.800 0.201 0.000 2.332 238 Q HA 0.275 4.615 4.340 0.001 0.000 0.263 238 Q C -0.521 175.539 176.000 0.101 0.000 0.979 238 Q CA -0.315 55.616 55.803 0.213 0.000 0.885 238 Q CB 0.556 29.385 28.738 0.151 0.000 1.218 238 Q HN 0.580 nan 8.270 nan 0.000 0.405 239 I N 6.494 127.101 120.570 0.061 0.000 2.821 239 I HA -0.091 4.080 4.170 0.001 0.000 0.294 239 I C -1.981 174.152 176.117 0.026 0.000 1.210 239 I CA -1.182 60.135 61.300 0.028 0.000 1.430 239 I CB 0.060 38.045 38.000 -0.025 0.000 1.356 239 I HN 0.460 nan 8.210 nan 0.000 0.563 240 P HA 0.198 nan 4.420 nan 0.000 0.267 240 P C -0.917 176.375 177.300 -0.014 0.000 1.209 240 P CA 0.228 63.331 63.100 0.004 0.000 0.763 240 P CB 0.454 32.145 31.700 -0.014 0.000 0.816 241 L N 2.497 123.720 121.223 -0.001 0.000 2.386 241 L HA 0.629 4.970 4.340 0.001 0.000 0.271 241 L C 0.224 177.079 176.870 -0.024 0.000 0.993 241 L CA -1.162 53.672 54.840 -0.011 0.000 0.819 241 L CB 2.135 44.248 42.059 0.089 0.000 1.294 241 L HN 0.247 nan 8.230 nan 0.000 0.414 242 A N 3.195 125.965 122.820 -0.083 0.000 2.539 242 A HA 0.763 5.084 4.320 0.001 0.000 0.306 242 A C 0.013 177.609 177.584 0.020 0.000 1.392 242 A CA 0.102 52.130 52.037 -0.015 0.000 1.060 242 A CB -0.277 18.656 19.000 -0.111 0.000 1.134 242 A HN 0.810 nan 8.150 nan 0.000 0.542 243 A N 2.042 124.838 122.820 -0.040 0.000 2.590 243 A HA 0.693 5.014 4.320 0.001 0.000 0.296 243 A C -0.509 176.944 177.584 -0.219 0.000 1.050 243 A CA -0.474 51.431 52.037 -0.220 0.000 0.697 243 A CB 0.629 19.305 19.000 -0.539 0.000 1.277 243 A HN 0.696 nan 8.150 nan 0.000 0.411 244 T N 1.579 115.977 114.554 -0.260 0.000 2.809 244 T HA 0.510 4.861 4.350 0.001 0.000 0.284 244 T C -0.002 174.536 174.700 -0.270 0.000 0.992 244 T CA -0.453 61.526 62.100 -0.202 0.000 0.957 244 T CB 1.247 70.060 68.868 -0.093 0.000 0.942 244 T HN 0.729 nan 8.240 nan 0.000 0.439 245 R N 2.361 122.694 120.500 -0.278 0.000 2.389 245 R HA 0.250 4.591 4.340 0.001 0.000 0.295 245 R C 0.751 176.971 176.300 -0.134 0.000 1.075 245 R CA -0.432 55.501 56.100 -0.279 0.000 1.005 245 R CB 0.393 30.492 30.300 -0.335 0.000 0.987 245 R HN 0.453 nan 8.270 nan 0.000 0.452 246 R N 1.192 121.673 120.500 -0.032 0.000 2.225 246 R HA 0.121 4.462 4.340 0.001 0.000 0.194 246 R C 0.257 176.556 176.300 -0.003 0.000 0.957 246 R CA 0.615 56.731 56.100 0.026 0.000 1.042 246 R CB 0.396 30.777 30.300 0.136 0.000 1.004 246 R HN 0.751 nan 8.270 nan 0.000 0.509 247 S N -1.256 114.448 115.700 0.008 0.000 2.615 247 S HA 0.369 4.840 4.470 0.001 0.000 0.269 247 S C -2.599 171.974 174.600 -0.045 0.000 1.161 247 S CA -1.109 57.082 58.200 -0.015 0.000 0.817 247 S CB 2.258 65.465 63.200 0.013 0.000 1.131 247 S HN -0.281 nan 8.310 nan 0.000 0.467 248 P HA -0.042 nan 4.420 nan 0.000 0.220 248 P C 1.025 178.298 177.300 -0.045 0.000 1.144 248 P CA 1.955 65.015 63.100 -0.067 0.000 0.800 248 P CB -0.223 31.455 31.700 -0.038 0.000 0.772 249 T N -6.907 107.655 114.554 0.014 0.000 3.145 249 T HA 0.299 4.650 4.350 0.001 0.000 0.281 249 T C -0.215 174.557 174.700 0.120 0.000 1.003 249 T CA -0.362 61.769 62.100 0.053 0.000 0.901 249 T CB -0.545 68.370 68.868 0.078 0.000 1.112 249 T HN -0.101 nan 8.240 nan 0.000 0.535 250 F N 1.560 121.455 119.950 -0.092 0.000 2.585 250 F HA 0.642 5.169 4.527 0.001 0.000 0.319 250 F C -1.618 174.064 175.800 -0.196 0.000 1.165 250 F CA -1.067 56.876 58.000 -0.095 0.000 0.949 250 F CB 1.904 40.863 39.000 -0.068 0.000 1.218 250 F HN -0.123 nan 8.300 nan 0.000 0.453 251 V N 5.255 124.712 119.914 -0.761 0.000 2.409 251 V HA 0.273 4.393 4.120 0.001 0.000 0.291 251 V C -0.397 175.009 176.094 -1.146 0.000 1.020 251 V CA -0.831 60.947 62.300 -0.870 0.000 0.848 251 V CB 1.629 32.801 31.823 -1.085 0.000 0.990 251 V HN 0.724 nan 8.190 nan 0.000 0.430 252 E N 4.633 124.429 120.200 -0.672 0.000 2.003 252 E HA 0.165 4.516 4.350 0.001 0.000 0.279 252 E C -1.075 175.270 176.600 -0.425 0.000 1.132 252 E CA -0.521 55.655 56.400 -0.373 0.000 0.888 252 E CB 0.416 30.123 29.700 0.012 0.000 1.056 252 E HN 0.615 nan 8.360 nan 0.000 0.399 253 W N 3.224 124.405 121.300 -0.198 0.000 2.238 253 W HA 0.164 4.824 4.660 0.001 0.000 0.321 253 W C 0.598 177.150 176.519 0.055 0.000 1.293 253 W CA -0.575 56.651 57.345 -0.197 0.000 1.204 253 W CB 0.841 29.951 29.460 -0.583 0.000 1.167 253 W HN 0.322 nan 8.180 nan 0.000 0.553 254 S N 1.687 117.600 115.700 0.356 0.000 2.634 254 S HA 0.631 5.102 4.470 0.001 0.000 0.261 254 S C 0.163 175.206 174.600 0.739 0.000 1.271 254 S CA -0.477 58.007 58.200 0.472 0.000 0.985 254 S CB 1.061 64.553 63.200 0.486 0.000 0.968 254 S HN 0.530 nan 8.310 nan 0.000 0.568 255 S N -0.812 115.267 115.700 0.632 0.000 2.683 255 S HA 0.653 5.123 4.470 0.001 0.000 0.269 255 S C 0.729 175.517 174.600 0.314 0.000 1.165 255 S CA -0.369 58.119 58.200 0.480 0.000 0.840 255 S CB 0.461 63.869 63.200 0.347 0.000 1.169 255 S HN 0.777 nan 8.310 nan 0.000 0.490 256 A N 1.792 124.688 122.820 0.125 0.000 1.915 256 A HA -0.249 4.071 4.320 0.001 0.000 0.220 256 A C 2.009 179.625 177.584 0.054 0.000 1.198 256 A CA 2.400 54.464 52.037 0.044 0.000 0.647 256 A CB -1.635 17.370 19.000 0.008 0.000 0.825 256 A HN 0.890 nan 8.150 nan 0.000 0.456 257 N N -0.750 117.996 118.700 0.076 0.000 2.205 257 N HA -0.156 4.585 4.740 0.001 0.000 0.186 257 N C 1.531 177.064 175.510 0.038 0.000 1.015 257 N CA 2.035 55.108 53.050 0.038 0.000 0.862 257 N CB -0.240 38.284 38.487 0.062 0.000 0.986 257 N HN 0.509 nan 8.380 nan 0.000 0.429 258 T N 0.362 114.985 114.554 0.114 0.000 2.777 258 T HA -0.039 4.311 4.350 0.001 0.000 0.266 258 T C 2.090 176.817 174.700 0.045 0.000 1.040 258 T CA 1.043 63.217 62.100 0.123 0.000 1.141 258 T CB -0.172 68.849 68.868 0.255 0.000 0.868 258 T HN 0.042 nan 8.240 nan 0.000 0.444 259 V N -0.276 119.635 119.914 -0.005 0.000 2.307 259 V HA 0.113 4.233 4.120 0.001 0.000 0.245 259 V C 0.572 176.611 176.094 -0.090 0.000 1.045 259 V CA 1.051 63.262 62.300 -0.148 0.000 1.024 259 V CB -0.347 31.315 31.823 -0.269 0.000 0.651 259 V HN 0.454 nan 8.190 nan 0.000 0.449 260 F N 0.875 120.683 119.950 -0.237 0.000 2.588 260 F HA 0.409 4.936 4.527 0.001 0.000 0.314 260 F C 0.308 175.990 175.800 -0.197 0.000 1.134 260 F CA -1.769 56.073 58.000 -0.264 0.000 0.961 260 F CB 1.557 40.349 39.000 -0.346 0.000 1.239 260 F HN 0.174 nan 8.300 nan 0.000 0.448 261 D N 4.325 124.283 120.400 -0.737 0.000 2.348 261 D HA -0.055 4.586 4.640 0.001 0.000 0.216 261 D C 1.161 177.177 176.300 -0.474 0.000 0.970 261 D CA 1.100 54.812 54.000 -0.481 0.000 0.889 261 D CB -0.083 40.487 40.800 -0.382 0.000 0.912 261 D HN 0.657 nan 8.370 nan 0.000 0.524 262 L N -1.844 118.902 121.223 -0.795 0.000 4.696 262 L HA -0.247 4.094 4.340 0.001 0.000 0.425 262 L C -0.191 176.630 176.870 -0.082 0.000 1.115 262 L CA 0.477 55.134 54.840 -0.304 0.000 0.996 262 L CB -1.472 40.577 42.059 -0.017 0.000 2.077 262 L HN 0.241 nan 8.230 nan 0.000 0.792 263 Q N 0.853 120.516 119.800 -0.229 0.000 2.327 263 Q HA 0.239 4.580 4.340 0.001 0.000 0.254 263 Q C 0.394 176.452 176.000 0.096 0.000 0.952 263 Q CA -0.211 55.551 55.803 -0.070 0.000 0.884 263 Q CB 0.631 29.296 28.738 -0.122 0.000 1.224 263 Q HN 0.136 nan 8.270 nan 0.000 0.422 264 N N 1.864 120.615 118.700 0.086 0.000 2.454 264 N HA 0.116 4.856 4.740 0.001 0.000 0.254 264 N C -0.291 175.273 175.510 0.091 0.000 1.228 264 N CA 0.374 53.477 53.050 0.088 0.000 0.900 264 N CB 0.607 39.050 38.487 -0.073 0.000 1.089 264 N HN 0.277 nan 8.380 nan 0.000 0.449 265 R N 0.997 121.578 120.500 0.135 0.000 2.771 265 R HA 0.472 4.813 4.340 0.001 0.000 0.274 265 R C -2.526 173.827 176.300 0.088 0.000 0.987 265 R CA -1.639 54.531 56.100 0.116 0.000 0.908 265 R CB 1.934 32.334 30.300 0.166 0.000 1.213 265 R HN 0.395 nan 8.270 nan 0.000 0.468 266 P HA 0.016 nan 4.420 nan 0.000 0.268 266 P C -1.377 175.972 177.300 0.080 0.000 1.204 266 P CA -0.025 63.156 63.100 0.135 0.000 0.768 266 P CB 0.566 32.395 31.700 0.214 0.000 0.842 267 N N 0.010 118.746 118.700 0.061 0.000 3.038 267 N HA 0.297 5.037 4.740 0.001 0.000 0.307 267 N C 0.782 176.306 175.510 0.024 0.000 1.441 267 N CA -0.775 52.293 53.050 0.030 0.000 0.772 267 N CB -0.513 37.979 38.487 0.008 0.000 1.651 267 N HN 0.054 nan 8.380 nan 0.000 0.593 268 T N -0.665 113.894 114.554 0.008 0.000 2.652 268 T HA -0.139 4.212 4.350 0.001 0.000 0.267 268 T C 0.480 175.181 174.700 0.001 0.000 1.039 268 T CA 1.814 63.916 62.100 0.003 0.000 1.153 268 T CB -0.538 68.327 68.868 -0.004 0.000 0.863 268 T HN 0.533 nan 8.240 nan 0.000 0.428 269 D N 1.526 121.923 120.400 -0.005 0.000 2.219 269 D HA 0.111 4.751 4.640 0.001 0.000 0.205 269 D C 0.900 177.201 176.300 0.003 0.000 0.970 269 D CA 0.711 54.706 54.000 -0.009 0.000 0.851 269 D CB -0.031 40.755 40.800 -0.024 0.000 0.943 269 D HN 0.446 nan 8.370 nan 0.000 0.488 270 A N 0.679 123.509 122.820 0.017 0.000 3.216 270 A HA 0.410 4.731 4.320 0.001 0.000 0.321 270 A C -1.988 175.641 177.584 0.075 0.000 1.042 270 A CA -0.977 51.085 52.037 0.043 0.000 0.838 270 A CB 1.032 20.059 19.000 0.046 0.000 1.136 270 A HN -0.164 nan 8.150 nan 0.000 0.483 271 P HA -0.116 nan 4.420 nan 0.000 0.222 271 P C 0.721 178.100 177.300 0.132 0.000 1.147 271 P CA 1.272 64.414 63.100 0.070 0.000 0.790 271 P CB 0.304 32.013 31.700 0.014 0.000 0.780 272 E N -0.697 119.591 120.200 0.147 0.000 2.476 272 E HA 0.098 4.449 4.350 0.001 0.000 0.196 272 E C 0.168 177.008 176.600 0.401 0.000 1.029 272 E CA 0.045 56.602 56.400 0.262 0.000 0.896 272 E CB 0.232 29.995 29.700 0.105 0.000 1.012 272 E HN 0.474 nan 8.360 nan 0.000 0.475 273 E N 1.078 121.441 120.200 0.272 0.000 2.232 273 E HA 0.480 4.830 4.350 0.001 0.000 0.264 273 E C -0.302 176.365 176.600 0.112 0.000 0.973 273 E CA -0.711 55.793 56.400 0.172 0.000 0.849 273 E CB 1.610 31.397 29.700 0.145 0.000 1.198 273 E HN -0.096 nan 8.360 nan 0.000 0.407 274 R N 1.700 122.231 120.500 0.051 0.000 2.507 274 R HA 0.393 4.733 4.340 0.001 0.000 0.298 274 R C -1.617 174.771 176.300 0.147 0.000 1.087 274 R CA -0.480 55.617 56.100 -0.006 0.000 0.917 274 R CB 0.927 31.097 30.300 -0.216 0.000 1.173 274 R HN 0.407 nan 8.270 nan 0.000 0.472 275 F N 2.149 122.096 119.950 -0.005 0.000 2.588 275 F HA 0.464 4.991 4.527 0.001 0.000 0.314 275 F C -1.616 174.137 175.800 -0.078 0.000 1.134 275 F CA -0.663 57.331 58.000 -0.010 0.000 0.961 275 F CB 2.048 41.111 39.000 0.104 0.000 1.239 275 F HN 0.363 nan 8.300 nan 0.000 0.448 276 N N 4.882 122.932 118.700 -1.083 0.000 2.296 276 N HA 0.576 5.316 4.740 0.001 0.000 0.294 276 N C -2.013 172.557 175.510 -1.567 0.000 1.033 276 N CA -0.680 51.697 53.050 -1.122 0.000 0.839 276 N CB 2.327 40.357 38.487 -0.763 0.000 1.395 276 N HN 0.569 nan 8.380 nan 0.000 0.479 277 L N 2.457 122.953 121.223 -1.211 0.000 2.295 277 L HA 0.624 4.965 4.340 0.001 0.000 0.285 277 L C -1.610 174.744 176.870 -0.860 0.000 1.035 277 L CA -0.223 54.144 54.840 -0.788 0.000 0.806 277 L CB 0.184 42.102 42.059 -0.236 0.000 1.214 277 L HN 0.490 nan 8.230 nan 0.000 0.426 278 F N 6.250 125.959 119.950 -0.402 0.000 2.564 278 F HA 0.504 5.032 4.527 0.001 0.000 0.368 278 F C -2.136 173.616 175.800 -0.080 0.000 1.127 278 F CA -1.937 55.913 58.000 -0.250 0.000 1.170 278 F CB 0.740 39.531 39.000 -0.350 0.000 1.397 278 F HN 0.418 nan 8.300 nan 0.000 0.493 279 P HA 0.259 nan 4.420 nan 0.000 0.274 279 P C 0.085 177.441 177.300 0.094 0.000 1.246 279 P CA -0.098 63.043 63.100 0.068 0.000 0.795 279 P CB 0.970 32.689 31.700 0.031 0.000 1.006 280 A N -0.725 122.137 122.820 0.069 0.000 2.745 280 A HA -0.113 4.208 4.320 0.001 0.000 0.296 280 A C -0.011 177.604 177.584 0.052 0.000 1.500 280 A CA 0.757 52.828 52.037 0.056 0.000 0.766 280 A CB -2.395 16.636 19.000 0.052 0.000 1.030 280 A HN 0.264 nan 8.150 nan 0.000 0.489 281 V N -0.211 119.751 119.914 0.080 0.000 2.407 281 V HA 0.658 4.779 4.120 0.001 0.000 0.291 281 V C 0.642 176.741 176.094 0.009 0.000 1.018 281 V CA -0.303 62.036 62.300 0.065 0.000 0.842 281 V CB 1.542 33.489 31.823 0.207 0.000 0.996 281 V HN 1.427 nan 8.190 nan 0.000 0.426 282 A N 4.353 127.155 122.820 -0.031 0.000 2.347 282 A HA 0.423 4.743 4.320 0.001 0.000 0.287 282 A C 0.173 177.740 177.584 -0.028 0.000 1.199 282 A CA -0.179 51.836 52.037 -0.036 0.000 0.851 282 A CB -0.204 18.824 19.000 0.047 0.000 1.118 282 A HN 0.877 nan 8.150 nan 0.000 0.525 283 C N 2.995 122.251 119.300 -0.073 0.000 2.415 283 C HA 0.306 4.766 4.460 0.001 0.000 0.369 283 C C 1.409 176.378 174.990 -0.036 0.000 1.279 283 C CA -0.270 58.696 59.018 -0.086 0.000 1.886 283 C CB -0.454 27.222 27.740 -0.108 0.000 2.468 283 C HN 1.009 nan 8.230 nan 0.000 0.553 284 E N 1.174 121.387 120.200 0.022 0.000 2.206 284 E HA 0.087 4.437 4.350 0.001 0.000 0.195 284 E C 0.381 176.970 176.600 -0.018 0.000 0.935 284 E CA 0.401 56.816 56.400 0.025 0.000 0.875 284 E CB 0.423 30.182 29.700 0.098 0.000 0.841 284 E HN 0.775 nan 8.360 nan 0.000 0.477 285 R N -0.023 120.478 120.500 0.001 0.000 2.664 285 R HA 0.409 4.750 4.340 0.001 0.000 0.266 285 R C -0.808 175.476 176.300 -0.027 0.000 1.046 285 R CA -0.814 55.270 56.100 -0.027 0.000 0.885 285 R CB 1.021 31.294 30.300 -0.045 0.000 1.254 285 R HN -0.070 nan 8.270 nan 0.000 0.465 286 V N -0.581 119.299 119.914 -0.057 0.000 2.539 286 V HA 0.667 4.788 4.120 0.001 0.000 0.292 286 V C -0.013 176.029 176.094 -0.087 0.000 1.045 286 V CA -0.797 61.433 62.300 -0.117 0.000 0.945 286 V CB 1.699 33.405 31.823 -0.194 0.000 0.993 286 V HN 0.512 nan 8.190 nan 0.000 0.464 287 V N 5.245 125.092 119.914 -0.113 0.000 2.394 287 V HA 0.488 4.609 4.120 0.001 0.000 0.282 287 V C 0.550 176.615 176.094 -0.048 0.000 1.031 287 V CA -0.535 61.727 62.300 -0.064 0.000 0.881 287 V CB 1.012 32.812 31.823 -0.038 0.000 0.982 287 V HN 0.960 nan 8.190 nan 0.000 0.451 288 R N 3.631 124.122 120.500 -0.015 0.000 2.410 288 R HA 0.323 4.664 4.340 0.001 0.000 0.288 288 R C 0.249 176.585 176.300 0.059 0.000 1.051 288 R CA -0.629 55.521 56.100 0.083 0.000 1.021 288 R CB 0.653 30.995 30.300 0.070 0.000 1.032 288 R HN 0.868 nan 8.270 nan 0.000 0.481 289 N N 1.525 120.277 118.700 0.087 0.000 2.354 289 N HA -0.011 4.729 4.740 0.001 0.000 0.246 289 N C 0.626 176.142 175.510 0.011 0.000 1.285 289 N CA 0.148 53.220 53.050 0.037 0.000 0.925 289 N CB 0.416 38.922 38.487 0.033 0.000 1.174 289 N HN 0.585 nan 8.380 nan 0.000 0.478 290 A N 0.400 123.217 122.820 -0.005 0.000 1.978 290 A HA -0.095 4.226 4.320 0.001 0.000 0.220 290 A C 2.148 179.712 177.584 -0.033 0.000 1.170 290 A CA 1.099 53.126 52.037 -0.017 0.000 0.636 290 A CB -0.856 18.135 19.000 -0.015 0.000 0.810 290 A HN 0.648 nan 8.150 nan 0.000 0.448 291 L N -0.871 120.325 121.223 -0.045 0.000 2.554 291 L HA -0.003 4.338 4.340 0.001 0.000 0.226 291 L C 0.132 176.918 176.870 -0.139 0.000 1.137 291 L CA -0.016 54.779 54.840 -0.076 0.000 0.863 291 L CB -0.418 41.597 42.059 -0.073 0.000 0.985 291 L HN 0.378 nan 8.230 nan 0.000 0.451 292 N N 0.127 118.740 118.700 -0.145 0.000 2.727 292 N HA -0.187 4.554 4.740 0.001 0.000 0.249 292 N C 0.902 175.874 175.510 -0.898 0.000 1.048 292 N CA 1.075 53.944 53.050 -0.301 0.000 0.714 292 N CB -1.098 37.318 38.487 -0.119 0.000 0.959 292 N HN 0.541 nan 8.380 nan 0.000 0.544 293 S N -2.125 113.201 115.700 -0.625 0.000 2.603 293 S HA 0.286 4.756 4.470 0.001 0.000 0.232 293 S C 0.258 174.683 174.600 -0.291 0.000 1.016 293 S CA -0.257 57.603 58.200 -0.567 0.000 0.976 293 S CB 1.550 64.609 63.200 -0.235 0.000 0.921 293 S HN 0.356 nan 8.310 nan 0.000 0.516 294 E N 0.436 120.619 120.200 -0.028 0.000 2.381 294 E HA 0.367 4.718 4.350 0.001 0.000 0.286 294 E C -1.714 175.079 176.600 0.321 0.000 0.960 294 E CA -0.719 55.823 56.400 0.236 0.000 0.793 294 E CB 1.366 31.148 29.700 0.137 0.000 1.225 294 E HN 0.083 nan 8.360 nan 0.000 0.420 295 I N 3.448 124.157 120.570 0.230 0.000 2.428 295 I HA 0.119 4.290 4.170 0.001 0.000 0.289 295 I C 1.023 177.082 176.117 -0.096 0.000 1.019 295 I CA 0.206 61.460 61.300 -0.076 0.000 1.351 295 I CB 1.216 38.931 38.000 -0.475 0.000 1.412 295 I HN 0.677 nan 8.210 nan 0.000 0.513 296 E N 3.035 123.174 120.200 -0.103 0.000 2.372 296 E HA 0.097 4.448 4.350 0.001 0.000 0.201 296 E C 0.267 176.894 176.600 0.046 0.000 0.938 296 E CA 0.354 56.767 56.400 0.021 0.000 0.944 296 E CB 0.651 30.371 29.700 0.033 0.000 0.937 296 E HN 0.726 nan 8.360 nan 0.000 0.495 297 S N -0.428 115.219 115.700 -0.088 0.000 2.636 297 S HA 0.500 4.971 4.470 0.001 0.000 0.266 297 S C -1.669 172.901 174.600 -0.050 0.000 1.147 297 S CA -1.051 57.181 58.200 0.053 0.000 0.815 297 S CB 1.232 64.483 63.200 0.084 0.000 1.119 297 S HN 0.011 nan 8.310 nan 0.000 0.470 298 L N 1.831 123.114 121.223 0.099 0.000 2.349 298 L HA 0.661 5.001 4.340 0.001 0.000 0.278 298 L C -0.749 176.117 176.870 -0.006 0.000 0.996 298 L CA -0.183 54.676 54.840 0.032 0.000 0.825 298 L CB 1.363 43.471 42.059 0.083 0.000 1.243 298 L HN 1.021 nan 8.230 nan 0.000 0.412 299 H N 5.253 124.282 119.070 -0.068 0.000 2.580 299 H HA 0.649 5.206 4.556 0.001 0.000 0.322 299 H C -0.428 174.845 175.328 -0.091 0.000 1.082 299 H CA -0.139 55.873 56.048 -0.060 0.000 1.383 299 H CB 0.851 30.581 29.762 -0.053 0.000 1.450 299 H HN 0.699 nan 8.280 nan 0.000 0.505 300 I N 1.758 122.056 120.570 -0.453 0.000 3.002 300 I HA 0.433 4.604 4.170 0.001 0.000 0.310 300 I C -1.363 174.668 176.117 -0.143 0.000 1.087 300 I CA -1.012 60.133 61.300 -0.257 0.000 1.017 300 I CB 2.596 40.350 38.000 -0.409 0.000 1.226 300 I HN 0.697 nan 8.210 nan 0.000 0.443 301 H N 2.790 121.813 119.070 -0.079 0.000 3.013 301 H HA 0.232 4.788 4.556 0.001 0.000 0.326 301 H C -1.670 173.687 175.328 0.048 0.000 0.973 301 H CA -0.646 55.404 56.048 0.004 0.000 1.369 301 H CB 1.647 31.450 29.762 0.069 0.000 1.598 301 H HN 0.789 nan 8.280 nan 0.000 0.518 302 D N 5.691 126.067 120.400 -0.040 0.000 2.338 302 D HA 0.023 4.663 4.640 0.001 0.000 0.255 302 D C 1.165 177.284 176.300 -0.301 0.000 1.237 302 D CA -0.134 53.825 54.000 -0.069 0.000 0.883 302 D CB 0.993 41.884 40.800 0.151 0.000 1.087 302 D HN 0.670 nan 8.370 nan 0.000 0.485 303 L N 4.064 125.129 121.223 -0.263 0.000 2.291 303 L HA -0.105 4.236 4.340 0.001 0.000 0.214 303 L C 1.794 178.615 176.870 -0.081 0.000 1.120 303 L CA 0.207 54.902 54.840 -0.241 0.000 0.799 303 L CB -0.049 41.964 42.059 -0.076 0.000 0.925 303 L HN 0.510 nan 8.230 nan 0.000 0.446 304 I N -0.593 119.961 120.570 -0.026 0.000 2.364 304 I HA -0.123 4.048 4.170 0.001 0.000 0.241 304 I C 2.754 178.887 176.117 0.027 0.000 1.082 304 I CA 1.554 62.863 61.300 0.014 0.000 1.401 304 I CB -1.221 36.799 38.000 0.033 0.000 1.126 304 I HN 0.229 nan 8.210 nan 0.000 0.429 305 S N 0.682 116.409 115.700 0.044 0.000 2.453 305 S HA 0.026 4.497 4.470 0.001 0.000 0.231 305 S C 1.874 176.514 174.600 0.065 0.000 1.005 305 S CA 1.031 59.270 58.200 0.065 0.000 0.949 305 S CB -0.253 63.011 63.200 0.107 0.000 0.774 305 S HN 0.644 nan 8.310 nan 0.000 0.510 306 G N 0.913 109.752 108.800 0.065 0.000 2.205 306 G HA2 -0.218 3.743 3.960 0.001 0.000 0.261 306 G HA3 -0.218 3.743 3.960 0.001 0.000 0.261 306 G C -0.323 174.689 174.900 0.187 0.000 0.980 306 G CA 0.238 45.433 45.100 0.158 0.000 0.632 306 G HN 0.585 nan 8.290 nan 0.000 0.533 307 D N 0.613 121.068 120.400 0.090 0.000 2.362 307 D HA 0.512 5.153 4.640 0.001 0.000 0.242 307 D C 0.998 177.235 176.300 -0.105 0.000 1.132 307 D CA 0.181 54.132 54.000 -0.081 0.000 0.907 307 D CB 0.597 41.284 40.800 -0.188 0.000 1.195 307 D HN 0.422 nan 8.370 nan 0.000 0.429 308 R N 0.825 121.080 120.500 -0.409 0.000 2.664 308 R HA 0.670 5.010 4.340 0.001 0.000 0.286 308 R C -0.754 175.017 176.300 -0.881 0.000 0.967 308 R CA -0.711 55.145 56.100 -0.405 0.000 0.933 308 R CB 1.372 31.574 30.300 -0.163 0.000 1.146 308 R HN 0.301 nan 8.270 nan 0.000 0.468 309 F N -0.216 119.532 119.950 -0.338 0.000 2.631 309 F HA 0.288 4.816 4.527 0.001 0.000 0.308 309 F C -0.110 175.488 175.800 -0.336 0.000 1.097 309 F CA -1.017 56.831 58.000 -0.253 0.000 0.952 309 F CB 1.960 40.844 39.000 -0.193 0.000 1.307 309 F HN 0.163 nan 8.300 nan 0.000 0.450 310 E N 2.830 123.052 120.200 0.037 0.000 2.133 310 E HA 0.418 4.768 4.350 0.001 0.000 0.274 310 E C -0.933 175.702 176.600 0.058 0.000 0.930 310 E CA -0.469 55.944 56.400 0.021 0.000 0.770 310 E CB 2.261 31.998 29.700 0.062 0.000 1.104 310 E HN 0.292 nan 8.360 nan 0.000 0.403 311 I N 2.673 123.266 120.570 0.039 0.000 2.354 311 I HA 0.255 4.426 4.170 0.001 0.000 0.292 311 I C 0.292 176.516 176.117 0.180 0.000 0.989 311 I CA -0.860 60.492 61.300 0.086 0.000 1.188 311 I CB 1.298 39.307 38.000 0.016 0.000 1.342 311 I HN 0.258 nan 8.210 nan 0.000 0.457 312 K N 4.767 125.271 120.400 0.174 0.000 2.159 312 K HA 0.800 5.121 4.320 0.001 0.000 0.266 312 K C -0.896 175.774 176.600 0.117 0.000 0.975 312 K CA -0.277 56.127 56.287 0.194 0.000 0.865 312 K CB 1.606 34.184 32.500 0.130 0.000 1.087 312 K HN 0.798 nan 8.250 nan 0.000 0.446 313 A N 2.715 125.526 122.820 -0.014 0.000 2.566 313 A HA 0.379 4.700 4.320 0.001 0.000 0.292 313 A C -0.470 177.008 177.584 -0.178 0.000 1.112 313 A CA -0.688 51.197 52.037 -0.254 0.000 0.707 313 A CB 1.073 19.677 19.000 -0.659 0.000 1.302 313 A HN 0.790 nan 8.150 nan 0.000 0.409 314 D N -0.504 119.830 120.400 -0.110 0.000 2.162 314 D HA 0.097 4.737 4.640 0.001 0.000 0.203 314 D C 0.297 176.517 176.300 -0.133 0.000 0.967 314 D CA 1.656 55.664 54.000 0.015 0.000 0.840 314 D CB 0.209 41.081 40.800 0.119 0.000 0.972 314 D HN 0.212 nan 8.370 nan 0.000 0.482 315 V N 0.854 120.534 119.914 -0.390 0.000 2.588 315 V HA 0.266 4.386 4.120 0.001 0.000 0.304 315 V C -1.222 174.611 176.094 -0.435 0.000 1.042 315 V CA -0.863 61.189 62.300 -0.413 0.000 0.877 315 V CB 1.730 33.161 31.823 -0.654 0.000 0.996 315 V HN -0.058 nan 8.190 nan 0.000 0.425 316 Y N 2.993 123.270 120.300 -0.038 0.000 2.328 316 Y HA 0.690 5.240 4.550 0.001 0.000 0.337 316 Y C -0.065 175.791 175.900 -0.073 0.000 0.966 316 Y CA -0.939 57.130 58.100 -0.053 0.000 1.136 316 Y CB 2.016 40.451 38.460 -0.042 0.000 1.170 316 Y HN 0.353 nan 8.280 nan 0.000 0.470 317 V N 5.404 125.274 119.914 -0.072 0.000 2.487 317 V HA 0.400 4.521 4.120 0.001 0.000 0.298 317 V C -0.436 175.525 176.094 -0.221 0.000 1.028 317 V CA -0.959 61.191 62.300 -0.252 0.000 0.860 317 V CB 1.729 33.185 31.823 -0.612 0.000 0.991 317 V HN 0.591 nan 8.190 nan 0.000 0.427 318 L N 5.138 126.228 121.223 -0.223 0.000 2.277 318 L HA 0.551 4.891 4.340 0.001 0.000 0.284 318 L C 0.341 177.110 176.870 -0.168 0.000 1.028 318 L CA -0.166 54.565 54.840 -0.182 0.000 0.835 318 L CB 1.460 43.396 42.059 -0.205 0.000 1.215 318 L HN 0.833 nan 8.230 nan 0.000 0.425 319 T N -1.723 112.764 114.554 -0.112 0.000 3.624 319 T HA 0.347 4.698 4.350 0.001 0.000 0.244 319 T C 0.677 175.380 174.700 0.004 0.000 1.063 319 T CA -0.112 61.962 62.100 -0.044 0.000 1.252 319 T CB 0.999 69.836 68.868 -0.052 0.000 1.021 319 T HN 0.518 nan 8.240 nan 0.000 0.590 320 A N 0.823 123.656 122.820 0.021 0.000 2.307 320 A HA 0.752 5.073 4.320 0.001 0.000 0.218 320 A C 1.417 179.074 177.584 0.122 0.000 1.228 320 A CA 0.114 52.187 52.037 0.061 0.000 0.857 320 A CB -0.850 18.182 19.000 0.053 0.000 0.897 320 A HN 1.759 nan 8.150 nan 0.000 0.495 321 G N -2.583 106.286 108.800 0.115 0.000 2.699 321 G HA2 0.252 4.213 3.960 0.001 0.000 0.686 321 G HA3 0.252 4.213 3.960 0.001 0.000 0.686 321 G C 0.734 175.728 174.900 0.156 0.000 1.301 321 G CA -0.315 44.861 45.100 0.126 0.000 0.816 321 G HN 1.262 nan 8.290 nan 0.000 0.595 322 A N -0.287 122.609 122.820 0.127 0.000 1.930 322 A HA 0.236 4.557 4.320 0.001 0.000 0.217 322 A C 2.686 180.347 177.584 0.129 0.000 1.175 322 A CA 3.106 55.212 52.037 0.115 0.000 0.627 322 A CB -0.421 18.614 19.000 0.058 0.000 0.815 322 A HN 1.612 nan 8.150 nan 0.000 0.443 323 V N -0.661 119.284 119.914 0.052 0.000 2.307 323 V HA -0.245 3.875 4.120 0.001 0.000 0.245 323 V C 2.242 178.344 176.094 0.014 0.000 1.045 323 V CA 2.312 64.610 62.300 -0.004 0.000 1.024 323 V CB -1.067 30.634 31.823 -0.202 0.000 0.651 323 V HN 0.744 nan 8.190 nan 0.000 0.449 324 H N -0.648 118.490 119.070 0.112 0.000 2.512 324 H HA 0.017 4.573 4.556 0.001 0.000 0.279 324 H C 2.265 177.584 175.328 -0.015 0.000 0.999 324 H CA 0.667 56.736 56.048 0.035 0.000 1.283 324 H CB 0.129 29.893 29.762 0.003 0.000 1.421 324 H HN 0.315 nan 8.280 nan 0.000 0.554 325 N N 0.016 118.792 118.700 0.127 0.000 2.069 325 N HA -0.127 4.613 4.740 0.001 0.000 0.191 325 N C 1.775 177.274 175.510 -0.017 0.000 1.031 325 N CA 1.866 54.927 53.050 0.019 0.000 0.852 325 N CB -0.527 37.975 38.487 0.026 0.000 1.018 325 N HN 0.298 nan 8.380 nan 0.000 0.423 326 T N 0.829 115.445 114.554 0.103 0.000 2.720 326 T HA -0.188 4.162 4.350 0.001 0.000 0.268 326 T C 1.840 176.419 174.700 -0.202 0.000 1.037 326 T CA 1.220 63.374 62.100 0.091 0.000 1.144 326 T CB -0.221 68.834 68.868 0.312 0.000 0.864 326 T HN 0.372 nan 8.240 nan 0.000 0.444 327 Q N 0.100 119.675 119.800 -0.376 0.000 2.050 327 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 327 Q C 2.323 178.079 176.000 -0.406 0.000 0.980 327 Q CA 1.104 56.412 55.803 -0.824 0.000 0.840 327 Q CB -0.235 28.264 28.738 -0.397 0.000 0.898 327 Q HN 0.364 nan 8.270 nan 0.000 0.424 328 L N 0.774 121.875 121.223 -0.204 0.000 2.017 328 L HA -0.148 4.193 4.340 0.001 0.000 0.208 328 L C 2.037 178.831 176.870 -0.125 0.000 1.073 328 L CA 1.590 56.345 54.840 -0.141 0.000 0.745 328 L CB -0.827 41.168 42.059 -0.107 0.000 0.894 328 L HN 0.324 nan 8.230 nan 0.000 0.432 329 L N -1.682 119.450 121.223 -0.152 0.000 2.012 329 L HA -0.227 4.114 4.340 0.001 0.000 0.210 329 L C 2.472 179.385 176.870 0.072 0.000 1.073 329 L CA 1.237 56.019 54.840 -0.097 0.000 0.748 329 L CB -0.732 41.166 42.059 -0.267 0.000 0.891 329 L HN 0.090 nan 8.230 nan 0.000 0.431 330 V N -0.053 119.830 119.914 -0.051 0.000 2.343 330 V HA -0.291 3.830 4.120 0.001 0.000 0.247 330 V C 2.163 178.236 176.094 -0.035 0.000 1.051 330 V CA 2.067 64.355 62.300 -0.020 0.000 1.036 330 V CB -0.721 31.047 31.823 -0.092 0.000 0.654 330 V HN 0.493 nan 8.190 nan 0.000 0.451 331 N N 0.082 118.719 118.700 -0.105 0.000 2.443 331 N HA -0.111 4.630 4.740 0.001 0.000 0.184 331 N C 1.534 177.021 175.510 -0.038 0.000 1.037 331 N CA 1.279 54.285 53.050 -0.074 0.000 0.896 331 N CB -0.076 38.351 38.487 -0.099 0.000 0.959 331 N HN 0.415 nan 8.380 nan 0.000 0.442 332 S N -1.550 114.157 115.700 0.011 0.000 2.577 332 S HA 0.333 4.804 4.470 0.001 0.000 0.219 332 S C 1.079 175.651 174.600 -0.046 0.000 0.962 332 S CA 0.249 58.462 58.200 0.022 0.000 0.921 332 S CB 0.520 63.794 63.200 0.124 0.000 0.789 332 S HN 0.542 nan 8.310 nan 0.000 0.497 333 G N 1.125 109.900 108.800 -0.042 0.000 2.157 333 G HA2 -0.236 3.725 3.960 0.001 0.000 0.239 333 G HA3 -0.236 3.725 3.960 0.001 0.000 0.239 333 G C -0.025 174.745 174.900 -0.216 0.000 0.982 333 G CA -0.507 44.513 45.100 -0.133 0.000 0.650 333 G HN 0.427 nan 8.290 nan 0.000 0.527 334 F N 0.871 120.796 119.950 -0.041 0.000 2.406 334 F HA 0.505 5.032 4.527 0.001 0.000 0.327 334 F C 1.803 177.616 175.800 0.023 0.000 1.153 334 F CA 1.072 59.063 58.000 -0.015 0.000 1.218 334 F CB 0.415 39.380 39.000 -0.058 0.000 1.215 334 F HN 0.698 nan 8.300 nan 0.000 0.570 335 G N 1.433 110.382 108.800 0.247 0.000 2.627 335 G HA2 -0.311 3.650 3.960 0.001 0.000 0.312 335 G HA3 -0.311 3.650 3.960 0.001 0.000 0.312 335 G C -0.628 174.349 174.900 0.127 0.000 1.299 335 G CA 0.335 45.544 45.100 0.182 0.000 0.989 335 G HN 0.808 nan 8.290 nan 0.000 0.547 336 Q N -1.364 118.519 119.800 0.138 0.000 2.284 336 Q HA 0.608 4.949 4.340 0.001 0.000 0.269 336 Q C -1.137 174.954 176.000 0.151 0.000 1.026 336 Q CA -0.944 54.923 55.803 0.106 0.000 0.831 336 Q CB 1.907 30.692 28.738 0.077 0.000 1.322 336 Q HN 0.765 nan 8.270 nan 0.000 0.419 337 L N 2.849 124.148 121.223 0.127 0.000 2.375 337 L HA 0.809 5.150 4.340 0.001 0.000 0.271 337 L C 0.333 177.297 176.870 0.156 0.000 1.107 337 L CA 1.662 56.606 54.840 0.174 0.000 0.806 337 L CB 1.221 43.354 42.059 0.124 0.000 1.146 337 L HN 0.820 nan 8.230 nan 0.000 0.447 338 G N 3.164 112.113 108.800 0.248 0.000 2.728 338 G HA2 -0.220 3.741 3.960 0.001 0.000 0.294 338 G HA3 -0.220 3.741 3.960 0.001 0.000 0.294 338 G C -0.557 174.273 174.900 -0.117 0.000 1.342 338 G CA -0.197 45.003 45.100 0.166 0.000 0.866 338 G HN 0.910 nan 8.290 nan 0.000 0.534 339 R N 0.775 120.973 120.500 -0.503 0.000 2.522 339 R HA 0.399 4.739 4.340 0.001 0.000 0.284 339 R C -1.849 174.023 176.300 -0.713 0.000 1.032 339 R CA -0.609 54.760 56.100 -1.219 0.000 1.049 339 R CB 0.071 29.894 30.300 -0.794 0.000 0.956 339 R HN 0.378 nan 8.270 nan 0.000 0.422 340 P HA -0.003 nan 4.420 nan 0.000 0.269 340 P C -1.343 175.800 177.300 -0.261 0.000 1.209 340 P CA 0.099 62.977 63.100 -0.371 0.000 0.776 340 P CB 0.456 31.971 31.700 -0.308 0.000 0.876 341 N N 2.315 120.923 118.700 -0.152 0.000 2.594 341 N HA 0.196 4.937 4.740 0.001 0.000 0.280 341 N C -2.214 173.256 175.510 -0.067 0.000 1.156 341 N CA -1.593 51.391 53.050 -0.110 0.000 0.831 341 N CB 1.335 39.763 38.487 -0.099 0.000 1.379 341 N HN 0.054 nan 8.380 nan 0.000 0.536 342 P HA 0.033 nan 4.420 nan 0.000 0.221 342 P C 1.111 178.396 177.300 -0.025 0.000 1.150 342 P CA 0.538 63.617 63.100 -0.035 0.000 0.800 342 P CB 0.269 31.948 31.700 -0.035 0.000 0.787 343 A N -0.424 122.379 122.820 -0.030 0.000 2.019 343 A HA -0.142 4.179 4.320 0.001 0.000 0.219 343 A C 1.417 178.991 177.584 -0.017 0.000 1.164 343 A CA 1.410 53.434 52.037 -0.022 0.000 0.644 343 A CB -0.981 18.004 19.000 -0.024 0.000 0.805 343 A HN 0.194 nan 8.150 nan 0.000 0.449 344 N N -0.352 118.336 118.700 -0.019 0.000 2.790 344 N HA 0.267 5.007 4.740 0.001 0.000 0.256 344 N C -3.208 172.297 175.510 -0.007 0.000 1.409 344 N CA -2.174 50.868 53.050 -0.013 0.000 0.799 344 N CB 1.184 39.661 38.487 -0.016 0.000 1.170 344 N HN 0.078 nan 8.380 nan 0.000 0.507 345 P HA 0.353 nan 4.420 nan 0.000 0.274 345 P C -2.701 174.613 177.300 0.022 0.000 1.237 345 P CA -0.963 62.146 63.100 0.014 0.000 0.793 345 P CB 0.087 31.799 31.700 0.020 0.000 0.977 346 P HA 0.204 nan 4.420 nan 0.000 0.277 346 P C 0.976 178.303 177.300 0.044 0.000 1.240 346 P CA -0.238 62.888 63.100 0.043 0.000 0.798 346 P CB 0.681 32.423 31.700 0.070 0.000 0.979 347 E N 1.220 121.438 120.200 0.030 0.000 2.051 347 E HA -0.087 4.264 4.350 0.001 0.000 0.192 347 E C -0.109 176.524 176.600 0.054 0.000 0.991 347 E CA 0.920 57.336 56.400 0.027 0.000 0.799 347 E CB 0.025 29.726 29.700 0.002 0.000 0.748 347 E HN 0.362 nan 8.360 nan 0.000 0.449 348 L N 1.073 122.340 121.223 0.072 0.000 2.341 348 L HA 0.292 4.633 4.340 0.001 0.000 0.278 348 L C -0.132 176.868 176.870 0.216 0.000 1.005 348 L CA -0.773 54.154 54.840 0.145 0.000 0.818 348 L CB 1.792 43.897 42.059 0.077 0.000 1.259 348 L HN 0.161 nan 8.230 nan 0.000 0.418 349 L N 3.820 125.192 121.223 0.249 0.000 3.746 349 L HA -0.182 4.158 4.340 0.001 0.000 0.542 349 L C -1.443 175.543 176.870 0.193 0.000 1.268 349 L CA -0.528 54.457 54.840 0.243 0.000 0.818 349 L CB -0.912 41.316 42.059 0.283 0.000 1.472 349 L HN 0.591 nan 8.230 nan 0.000 0.843 350 P HA -0.132 nan 4.420 nan 0.000 0.223 350 P C 1.164 178.564 177.300 0.167 0.000 1.144 350 P CA 1.165 64.346 63.100 0.136 0.000 0.783 350 P CB 0.326 32.088 31.700 0.103 0.000 0.771 351 S N -0.903 114.917 115.700 0.199 0.000 2.556 351 S HA 0.097 4.568 4.470 0.001 0.000 0.216 351 S C 0.737 175.498 174.600 0.270 0.000 0.970 351 S CA -0.489 57.873 58.200 0.271 0.000 0.912 351 S CB -0.529 62.832 63.200 0.269 0.000 0.790 351 S HN 0.062 nan 8.310 nan 0.000 0.504 352 L N 2.635 123.995 121.223 0.229 0.000 2.559 352 L HA 0.365 4.706 4.340 0.001 0.000 0.274 352 L C 1.183 178.198 176.870 0.241 0.000 1.205 352 L CA 1.246 56.223 54.840 0.228 0.000 0.907 352 L CB -0.436 41.746 42.059 0.204 0.000 1.153 352 L HN 0.367 nan 8.230 nan 0.000 0.490 353 G N 2.446 111.396 108.800 0.251 0.000 2.168 353 G HA2 -0.282 3.679 3.960 0.001 0.000 0.263 353 G HA3 -0.282 3.679 3.960 0.001 0.000 0.263 353 G C 0.481 175.510 174.900 0.215 0.000 0.977 353 G CA 0.424 45.669 45.100 0.242 0.000 0.659 353 G HN 0.836 nan 8.290 nan 0.000 0.533 354 S N -1.520 114.313 115.700 0.223 0.000 2.718 354 S HA 0.639 5.110 4.470 0.001 0.000 0.300 354 S C 0.388 175.143 174.600 0.258 0.000 1.117 354 S CA 0.088 58.361 58.200 0.123 0.000 1.002 354 S CB 0.757 63.947 63.200 -0.016 0.000 1.092 354 S HN 0.917 nan 8.310 nan 0.000 0.542 355 Y N -0.925 119.449 120.300 0.123 0.000 3.929 355 Y HA -0.198 4.353 4.550 0.001 0.000 0.225 355 Y C 0.435 176.422 175.900 0.146 0.000 1.200 355 Y CA 0.147 58.318 58.100 0.118 0.000 1.791 355 Y CB -2.155 36.369 38.460 0.107 0.000 1.561 355 Y HN 0.587 nan 8.280 nan 0.000 0.657 356 I N -0.391 120.340 120.570 0.269 0.000 2.638 356 I HA 0.571 4.742 4.170 0.001 0.000 0.286 356 I C 0.631 176.928 176.117 0.301 0.000 1.088 356 I CA 0.250 61.709 61.300 0.265 0.000 1.397 356 I CB 1.452 39.603 38.000 0.253 0.000 1.414 356 I HN 0.193 nan 8.210 nan 0.000 0.566 357 T N 1.687 116.379 114.554 0.230 0.000 2.876 357 T HA 0.684 5.035 4.350 0.001 0.000 0.289 357 T C -0.685 174.064 174.700 0.081 0.000 1.014 357 T CA -0.679 61.541 62.100 0.200 0.000 0.986 357 T CB 2.056 70.988 68.868 0.107 0.000 1.021 357 T HN 0.821 nan 8.240 nan 0.000 0.458 358 E N 1.226 121.469 120.200 0.072 0.000 2.331 358 E HA 0.340 4.690 4.350 0.001 0.000 0.275 358 E C -1.072 175.653 176.600 0.209 0.000 0.895 358 E CA -0.541 55.863 56.400 0.006 0.000 0.753 358 E CB 1.988 31.497 29.700 -0.318 0.000 1.216 358 E HN 0.703 nan 8.360 nan 0.000 0.434 359 Q N 1.254 121.173 119.800 0.199 0.000 2.352 359 Q HA 0.374 4.715 4.340 0.001 0.000 0.260 359 Q C -0.314 175.892 176.000 0.343 0.000 0.976 359 Q CA -0.152 55.816 55.803 0.276 0.000 0.881 359 Q CB 1.099 30.051 28.738 0.357 0.000 1.235 359 Q HN 0.457 nan 8.270 nan 0.000 0.419 360 S N 1.417 117.255 115.700 0.229 0.000 2.572 360 S HA 0.321 4.791 4.470 0.001 0.000 0.279 360 S C -0.666 174.004 174.600 0.117 0.000 1.341 360 S CA -0.420 57.809 58.200 0.048 0.000 1.043 360 S CB 0.373 63.498 63.200 -0.124 0.000 0.887 360 S HN 0.390 nan 8.310 nan 0.000 0.516 361 L N 4.164 125.424 121.223 0.062 0.000 2.476 361 L HA 0.677 5.018 4.340 0.001 0.000 0.269 361 L C -0.868 175.883 176.870 -0.199 0.000 0.965 361 L CA -0.687 54.094 54.840 -0.098 0.000 0.845 361 L CB 1.525 43.528 42.059 -0.094 0.000 1.259 361 L HN 0.444 nan 8.230 nan 0.000 0.403 362 V N 2.217 121.929 119.914 -0.337 0.000 2.667 362 V HA 0.778 4.899 4.120 0.001 0.000 0.308 362 V C -1.004 174.961 176.094 -0.215 0.000 1.048 362 V CA -0.580 61.437 62.300 -0.471 0.000 0.928 362 V CB 1.632 32.986 31.823 -0.781 0.000 1.004 362 V HN 0.824 nan 8.190 nan 0.000 0.444 363 F N 5.037 124.788 119.950 -0.332 0.000 2.601 363 F HA 0.880 5.408 4.527 0.001 0.000 0.309 363 F C -0.335 175.344 175.800 -0.201 0.000 1.089 363 F CA -0.178 57.705 58.000 -0.195 0.000 0.940 363 F CB 1.579 40.507 39.000 -0.121 0.000 1.273 363 F HN 1.206 nan 8.300 nan 0.000 0.450 364 C N 2.637 121.267 119.300 -1.118 0.000 3.320 364 C HA 0.795 5.256 4.460 0.001 0.000 0.335 364 C C -1.727 172.669 174.990 -0.990 0.000 1.430 364 C CA -0.700 57.672 59.018 -1.076 0.000 1.271 364 C CB 1.698 29.074 27.740 -0.606 0.000 1.609 364 C HN 0.952 nan 8.230 nan 0.000 0.457 365 Q N 0.614 120.103 119.800 -0.520 0.000 2.394 365 Q HA 0.740 5.081 4.340 0.001 0.000 0.273 365 Q C -0.527 175.500 176.000 0.044 0.000 1.089 365 Q CA -0.186 55.524 55.803 -0.155 0.000 0.812 365 Q CB 2.713 31.350 28.738 -0.169 0.000 1.353 365 Q HN 0.948 nan 8.270 nan 0.000 0.438 366 T N -2.440 112.211 114.554 0.162 0.000 2.942 366 T HA 0.722 5.073 4.350 0.001 0.000 0.289 366 T C -0.551 174.199 174.700 0.084 0.000 1.044 366 T CA -0.705 61.460 62.100 0.107 0.000 1.023 366 T CB 1.285 70.220 68.868 0.112 0.000 1.123 366 T HN 0.258 nan 8.240 nan 0.000 0.512 367 V N 2.628 122.560 119.914 0.030 0.000 2.409 367 V HA 0.408 4.529 4.120 0.001 0.000 0.291 367 V C 0.257 176.356 176.094 0.009 0.000 1.020 367 V CA -0.919 61.391 62.300 0.018 0.000 0.848 367 V CB 1.255 33.080 31.823 0.003 0.000 0.990 367 V HN 1.035 nan 8.190 nan 0.000 0.430 368 M N 4.601 124.213 119.600 0.020 0.000 2.248 368 M HA 0.088 4.568 4.480 0.001 0.000 0.343 368 M C 0.854 177.156 176.300 0.003 0.000 1.243 368 M CA 0.737 56.050 55.300 0.021 0.000 1.025 368 M CB 0.661 33.274 32.600 0.022 0.000 1.759 368 M HN 0.915 nan 8.290 nan 0.000 0.452 369 S N 2.462 118.161 115.700 -0.001 0.000 2.562 369 S HA 0.090 4.561 4.470 0.001 0.000 0.281 369 S C 1.006 175.605 174.600 -0.002 0.000 1.333 369 S CA -0.188 58.004 58.200 -0.014 0.000 1.052 369 S CB 0.668 63.855 63.200 -0.022 0.000 0.884 369 S HN 0.815 nan 8.310 nan 0.000 0.506 370 T N 2.468 117.018 114.554 -0.007 0.000 2.699 370 T HA -0.174 4.177 4.350 0.001 0.000 0.268 370 T C 1.624 176.329 174.700 0.008 0.000 1.036 370 T CA 2.073 64.174 62.100 0.002 0.000 1.147 370 T CB -0.510 68.356 68.868 -0.003 0.000 0.862 370 T HN 0.791 nan 8.240 nan 0.000 0.446 371 E N 0.608 120.809 120.200 0.002 0.000 2.058 371 E HA -0.077 4.273 4.350 0.001 0.000 0.194 371 E C 2.328 178.943 176.600 0.024 0.000 0.997 371 E CA 0.919 57.323 56.400 0.007 0.000 0.801 371 E CB -0.306 29.391 29.700 -0.005 0.000 0.746 371 E HN 0.433 nan 8.360 nan 0.000 0.450 372 L N 0.776 122.015 121.223 0.027 0.000 2.056 372 L HA -0.179 4.162 4.340 0.001 0.000 0.207 372 L C 2.466 179.373 176.870 0.063 0.000 1.078 372 L CA 0.514 55.384 54.840 0.050 0.000 0.749 372 L CB -0.279 41.809 42.059 0.047 0.000 0.901 372 L HN 0.190 nan 8.230 nan 0.000 0.433 373 I N -0.003 120.593 120.570 0.042 0.000 2.286 373 I HA -0.290 3.880 4.170 0.001 0.000 0.248 373 I C 2.102 178.253 176.117 0.056 0.000 1.115 373 I CA 1.533 62.857 61.300 0.040 0.000 1.392 373 I CB -1.107 36.907 38.000 0.023 0.000 1.065 373 I HN 0.292 nan 8.210 nan 0.000 0.418 374 D N 0.434 120.864 120.400 0.051 0.000 2.183 374 D HA -0.101 4.539 4.640 0.001 0.000 0.203 374 D C 2.364 178.710 176.300 0.078 0.000 0.969 374 D CA 1.472 55.505 54.000 0.055 0.000 0.842 374 D CB -0.036 40.786 40.800 0.037 0.000 0.957 374 D HN 0.366 nan 8.370 nan 0.000 0.484 375 S N 0.160 115.914 115.700 0.090 0.000 2.419 375 S HA -0.125 4.346 4.470 0.001 0.000 0.233 375 S C 2.197 176.951 174.600 0.258 0.000 1.016 375 S CA 0.748 59.030 58.200 0.137 0.000 0.974 375 S CB -0.645 62.627 63.200 0.120 0.000 0.786 375 S HN 0.071 nan 8.310 nan 0.000 0.492 376 V N 2.889 122.934 119.914 0.219 0.000 2.380 376 V HA -0.205 3.916 4.120 0.001 0.000 0.251 376 V C 2.102 178.348 176.094 0.252 0.000 1.063 376 V CA 2.246 64.706 62.300 0.267 0.000 1.055 376 V CB -0.881 31.026 31.823 0.139 0.000 0.657 376 V HN 0.824 nan 8.190 nan 0.000 0.455 377 K N 0.121 120.623 120.400 0.171 0.000 2.514 377 K HA 0.217 4.538 4.320 0.001 0.000 0.207 377 K C 1.540 178.204 176.600 0.108 0.000 1.035 377 K CA 0.666 57.034 56.287 0.135 0.000 1.113 377 K CB 0.232 32.791 32.500 0.100 0.000 0.846 377 K HN 0.380 nan 8.250 nan 0.000 0.491 378 S N 0.777 116.549 115.700 0.121 0.000 2.465 378 S HA -0.175 4.296 4.470 0.001 0.000 0.241 378 S C 0.850 175.450 174.600 -0.000 0.000 1.000 378 S CA 1.315 59.539 58.200 0.040 0.000 0.964 378 S CB -0.255 62.938 63.200 -0.012 0.000 0.763 378 S HN 0.305 nan 8.310 nan 0.000 0.512 379 D N 0.475 120.888 120.400 0.021 0.000 2.369 379 D HA 0.250 4.891 4.640 0.001 0.000 0.211 379 D C 0.138 176.478 176.300 0.065 0.000 1.077 379 D CA 0.146 54.151 54.000 0.009 0.000 0.842 379 D CB 0.056 40.844 40.800 -0.020 0.000 0.947 379 D HN 0.385 nan 8.370 nan 0.000 0.509 380 M N 0.541 120.182 119.600 0.067 0.000 2.249 380 M HA 0.210 4.691 4.480 0.001 0.000 0.351 380 M C 0.342 176.672 176.300 0.050 0.000 1.180 380 M CA 0.118 55.467 55.300 0.082 0.000 1.127 380 M CB 0.979 33.620 32.600 0.070 0.000 1.546 380 M HN -0.334 nan 8.290 nan 0.000 0.461 381 T N 4.326 118.903 114.554 0.039 0.000 2.743 381 T HA 0.627 4.978 4.350 0.001 0.000 0.292 381 T C 0.060 174.743 174.700 -0.028 0.000 0.972 381 T CA -0.322 61.781 62.100 0.005 0.000 0.967 381 T CB 0.169 69.034 68.868 -0.005 0.000 0.926 381 T HN 0.413 nan 8.240 nan 0.000 0.459 382 I N 3.923 124.479 120.570 -0.023 0.000 2.359 382 I HA 0.414 4.585 4.170 0.001 0.000 0.284 382 I C 0.392 176.492 176.117 -0.028 0.000 1.018 382 I CA -0.688 60.579 61.300 -0.056 0.000 1.173 382 I CB 0.908 38.915 38.000 0.011 0.000 1.326 382 I HN 0.253 nan 8.210 nan 0.000 0.462 383 R N 5.993 126.447 120.500 -0.075 0.000 2.295 383 R HA 0.728 5.069 4.340 0.001 0.000 0.324 383 R C 0.097 176.410 176.300 0.022 0.000 0.968 383 R CA 0.282 56.367 56.100 -0.024 0.000 0.837 383 R CB 1.267 31.543 30.300 -0.041 0.000 1.133 383 R HN 0.882 nan 8.270 nan 0.000 0.450 384 G N 2.111 110.969 108.800 0.097 0.000 2.472 384 G HA2 -0.223 3.738 3.960 0.001 0.000 0.205 384 G HA3 -0.223 3.738 3.960 0.001 0.000 0.205 384 G C -1.125 173.926 174.900 0.253 0.000 1.270 384 G CA -0.303 44.887 45.100 0.151 0.000 0.974 384 G HN 0.730 nan 8.290 nan 0.000 0.542 385 T N -0.301 114.388 114.554 0.224 0.000 2.848 385 T HA 0.691 5.042 4.350 0.001 0.000 0.285 385 T C -3.030 171.594 174.700 -0.126 0.000 0.995 385 T CA -1.438 60.710 62.100 0.080 0.000 0.970 385 T CB 2.412 71.293 68.868 0.023 0.000 0.976 385 T HN 0.500 nan 8.240 nan 0.000 0.441 386 P HA 0.305 nan 4.420 nan 0.000 0.264 386 P C 1.174 178.248 177.300 -0.376 0.000 1.193 386 P CA 1.042 63.608 63.100 -0.891 0.000 0.763 386 P CB 0.225 31.500 31.700 -0.708 0.000 0.810 387 G N 1.258 109.888 108.800 -0.284 0.000 2.157 387 G HA2 -0.225 3.736 3.960 0.001 0.000 0.239 387 G HA3 -0.225 3.736 3.960 0.001 0.000 0.239 387 G C 0.177 175.043 174.900 -0.056 0.000 0.982 387 G CA 0.013 45.039 45.100 -0.123 0.000 0.650 387 G HN 0.534 nan 8.290 nan 0.000 0.527 388 E N -1.424 118.757 120.200 -0.031 0.000 2.568 388 E HA 0.687 5.038 4.350 0.001 0.000 0.242 388 E C 1.616 178.239 176.600 0.039 0.000 0.945 388 E CA -0.714 55.690 56.400 0.007 0.000 0.918 388 E CB 0.408 30.116 29.700 0.013 0.000 1.386 388 E HN 0.029 nan 8.360 nan 0.000 0.426 389 L N -0.571 120.675 121.223 0.038 0.000 2.056 389 L HA -0.041 4.300 4.340 0.001 0.000 0.207 389 L C 2.071 178.978 176.870 0.062 0.000 1.078 389 L CA 1.841 56.706 54.840 0.041 0.000 0.749 389 L CB -1.595 40.481 42.059 0.027 0.000 0.901 389 L HN 0.630 nan 8.230 nan 0.000 0.433 390 T N -5.213 109.389 114.554 0.079 0.000 3.044 390 T HA 0.062 4.413 4.350 0.001 0.000 0.250 390 T C 0.665 175.432 174.700 0.111 0.000 1.081 390 T CA -0.262 61.882 62.100 0.074 0.000 1.040 390 T CB -0.596 68.308 68.868 0.060 0.000 0.962 390 T HN 0.037 nan 8.240 nan 0.000 0.506 391 Y N 3.468 123.768 120.300 -0.001 0.000 2.805 391 Y HA 0.344 4.895 4.550 0.001 0.000 0.331 391 Y C 0.379 176.280 175.900 0.002 0.000 1.241 391 Y CA -0.365 57.735 58.100 0.001 0.000 1.546 391 Y CB 0.055 38.514 38.460 -0.003 0.000 1.248 391 Y HN 0.264 nan 8.280 nan 0.000 0.559 392 S N 5.180 120.619 115.700 -0.436 0.000 2.571 392 S HA 0.779 5.249 4.470 0.001 0.000 0.284 392 S C -1.912 172.397 174.600 -0.485 0.000 1.128 392 S CA -0.701 57.284 58.200 -0.358 0.000 0.970 392 S CB 0.925 64.029 63.200 -0.160 0.000 1.039 392 S HN 0.438 nan 8.310 nan 0.000 0.485 393 V N 4.165 123.870 119.914 -0.348 0.000 2.531 393 V HA 0.823 4.943 4.120 0.001 0.000 0.301 393 V C -0.132 175.925 176.094 -0.063 0.000 1.034 393 V CA -0.409 61.760 62.300 -0.218 0.000 0.865 393 V CB 1.547 33.260 31.823 -0.184 0.000 0.995 393 V HN 1.102 nan 8.190 nan 0.000 0.424 394 T N 1.464 116.016 114.554 -0.003 0.000 2.821 394 T HA 0.831 5.181 4.350 0.001 0.000 0.306 394 T C -1.178 173.608 174.700 0.142 0.000 1.313 394 T CA -0.803 61.322 62.100 0.043 0.000 1.012 394 T CB 2.166 71.008 68.868 -0.044 0.000 1.298 394 T HN 0.957 nan 8.240 nan 0.000 0.502 395 Y N -1.763 118.527 120.300 -0.017 0.000 2.615 395 Y HA 0.787 5.338 4.550 0.001 0.000 0.341 395 Y C -0.915 174.976 175.900 -0.014 0.000 1.089 395 Y CA -1.293 56.800 58.100 -0.013 0.000 1.049 395 Y CB 0.966 39.426 38.460 0.001 0.000 1.296 395 Y HN 0.650 nan 8.280 nan 0.000 0.470 396 T N 4.349 118.896 114.554 -0.011 0.000 2.781 396 T HA 0.396 4.747 4.350 0.001 0.000 0.305 396 T C -2.765 171.919 174.700 -0.027 0.000 1.001 396 T CA -1.304 60.733 62.100 -0.104 0.000 0.950 396 T CB 0.609 69.457 68.868 -0.033 0.000 0.955 396 T HN 0.362 nan 8.240 nan 0.000 0.471 397 P HA 0.222 nan 4.420 nan 0.000 0.266 397 P C 1.181 178.513 177.300 0.054 0.000 1.195 397 P CA 0.697 63.829 63.100 0.053 0.000 0.768 397 P CB 0.392 32.073 31.700 -0.032 0.000 0.838 398 G N 1.653 110.505 108.800 0.086 0.000 2.212 398 G HA2 -0.277 3.684 3.960 0.001 0.000 0.266 398 G HA3 -0.277 3.684 3.960 0.001 0.000 0.266 398 G C 0.505 175.417 174.900 0.021 0.000 0.978 398 G CA 0.116 45.242 45.100 0.044 0.000 0.632 398 G HN 0.875 nan 8.290 nan 0.000 0.537 399 A N 0.710 123.544 122.820 0.023 0.000 2.546 399 A HA 0.584 4.905 4.320 0.001 0.000 0.243 399 A C 1.751 179.326 177.584 -0.014 0.000 1.063 399 A CA 1.364 53.402 52.037 0.001 0.000 0.757 399 A CB 0.234 19.237 19.000 0.004 0.000 0.991 399 A HN 1.723 nan 8.150 nan 0.000 0.503 400 S N 1.666 117.353 115.700 -0.021 0.000 2.453 400 S HA -0.157 4.313 4.470 0.001 0.000 0.231 400 S C 1.566 176.136 174.600 -0.049 0.000 1.005 400 S CA 1.486 59.667 58.200 -0.031 0.000 0.949 400 S CB -0.886 62.299 63.200 -0.025 0.000 0.774 400 S HN 1.169 nan 8.310 nan 0.000 0.510 401 T N -0.417 114.108 114.554 -0.048 0.000 3.035 401 T HA 0.080 4.430 4.350 0.001 0.000 0.268 401 T C 0.605 175.247 174.700 -0.097 0.000 1.109 401 T CA -0.011 62.050 62.100 -0.065 0.000 1.119 401 T CB -0.793 68.045 68.868 -0.051 0.000 0.900 401 T HN 0.232 nan 8.240 nan 0.000 0.503 402 N N 2.215 120.860 118.700 -0.092 0.000 2.357 402 N HA 0.137 4.878 4.740 0.001 0.000 0.257 402 N C 0.734 176.096 175.510 -0.247 0.000 1.250 402 N CA 0.144 53.109 53.050 -0.141 0.000 0.862 402 N CB 0.892 39.323 38.487 -0.094 0.000 1.066 402 N HN 0.377 nan 8.380 nan 0.000 0.468 403 K N 1.098 121.251 120.400 -0.411 0.000 2.365 403 K HA 0.061 4.382 4.320 0.001 0.000 0.197 403 K C -0.067 176.033 176.600 -0.834 0.000 1.042 403 K CA 0.772 56.688 56.287 -0.618 0.000 0.987 403 K CB 0.150 32.181 32.500 -0.781 0.000 0.779 403 K HN 0.536 nan 8.250 nan 0.000 0.484 404 H N -0.484 118.287 119.070 -0.498 0.000 2.679 404 H HA 0.313 4.869 4.556 0.001 0.000 0.367 404 H C -2.440 172.579 175.328 -0.516 0.000 1.162 404 H CA -2.909 52.681 56.048 -0.763 0.000 1.181 404 H CB 1.084 30.026 29.762 -1.367 0.000 1.693 404 H HN -0.139 nan 8.280 nan 0.000 0.538 405 P HA 0.026 nan 4.420 nan 0.000 0.274 405 P C 0.248 177.354 177.300 -0.323 0.000 1.246 405 P CA -0.270 62.644 63.100 -0.310 0.000 0.795 405 P CB 1.324 32.809 31.700 -0.359 0.000 1.006 406 D N 0.284 120.619 120.400 -0.108 0.000 2.178 406 D HA -0.139 4.502 4.640 0.001 0.000 0.201 406 D C 1.931 178.234 176.300 0.006 0.000 0.980 406 D CA 1.238 55.242 54.000 0.007 0.000 0.842 406 D CB -0.528 40.385 40.800 0.188 0.000 0.948 406 D HN 0.610 nan 8.370 nan 0.000 0.472 407 W N 0.354 121.723 121.300 0.115 0.000 2.342 407 W HA -0.168 4.493 4.660 0.001 0.000 0.297 407 W C 1.964 178.546 176.519 0.106 0.000 1.213 407 W CA 0.247 57.652 57.345 0.100 0.000 1.251 407 W CB -1.392 28.121 29.460 0.087 0.000 1.136 407 W HN 0.059 nan 8.180 nan 0.000 0.526 408 W N 3.440 124.214 121.300 -0.877 0.000 2.380 408 W HA -0.184 4.477 4.660 0.001 0.000 0.317 408 W C 1.976 178.222 176.519 -0.456 0.000 1.196 408 W CA 1.853 58.711 57.345 -0.812 0.000 1.307 408 W CB -1.082 27.688 29.460 -1.151 0.000 1.157 408 W HN -0.107 nan 8.180 nan 0.000 0.483 409 N N 1.001 119.628 118.700 -0.122 0.000 2.192 409 N HA -0.227 4.513 4.740 0.001 0.000 0.188 409 N C 1.497 176.712 175.510 -0.492 0.000 1.013 409 N CA 2.070 54.839 53.050 -0.469 0.000 0.863 409 N CB -0.678 37.144 38.487 -1.108 0.000 0.990 409 N HN 0.291 nan 8.380 nan 0.000 0.430 410 E N 1.323 121.370 120.200 -0.255 0.000 2.047 410 E HA -0.059 4.291 4.350 0.001 0.000 0.191 410 E C 1.640 178.275 176.600 0.058 0.000 0.987 410 E CA 1.300 57.730 56.400 0.050 0.000 0.799 410 E CB 0.021 29.826 29.700 0.175 0.000 0.752 410 E HN 0.245 nan 8.360 nan 0.000 0.449 411 K N -0.403 120.020 120.400 0.039 0.000 2.063 411 K HA -0.126 4.195 4.320 0.001 0.000 0.208 411 K C 2.108 178.710 176.600 0.003 0.000 1.048 411 K CA 1.497 57.800 56.287 0.026 0.000 0.928 411 K CB -0.173 32.324 32.500 -0.006 0.000 0.713 411 K HN 0.046 nan 8.250 nan 0.000 0.442 412 V N 1.843 121.728 119.914 -0.047 0.000 2.358 412 V HA -0.243 3.878 4.120 0.001 0.000 0.246 412 V C 2.379 178.509 176.094 0.060 0.000 1.047 412 V CA 1.647 63.939 62.300 -0.015 0.000 1.035 412 V CB -0.412 31.400 31.823 -0.018 0.000 0.658 412 V HN 0.353 nan 8.190 nan 0.000 0.452 413 K N 0.421 120.851 120.400 0.050 0.000 2.002 413 K HA -0.239 4.082 4.320 0.001 0.000 0.209 413 K C 2.032 178.689 176.600 0.096 0.000 1.048 413 K CA 2.043 58.388 56.287 0.097 0.000 0.930 413 K CB -0.267 32.345 32.500 0.186 0.000 0.714 413 K HN 0.409 nan 8.250 nan 0.000 0.438 414 N N 0.523 119.286 118.700 0.104 0.000 2.084 414 N HA -0.199 4.542 4.740 0.001 0.000 0.190 414 N C 1.790 177.370 175.510 0.117 0.000 1.030 414 N CA 1.536 54.645 53.050 0.099 0.000 0.849 414 N CB -0.810 37.740 38.487 0.105 0.000 1.012 414 N HN 0.426 nan 8.380 nan 0.000 0.423 415 H N 0.748 119.848 119.070 0.050 0.000 2.289 415 H HA -0.001 4.556 4.556 0.001 0.000 0.296 415 H C 2.006 177.387 175.328 0.088 0.000 1.091 415 H CA 2.067 58.146 56.048 0.053 0.000 1.274 415 H CB -0.188 29.510 29.762 -0.107 0.000 1.364 415 H HN 0.147 nan 8.280 nan 0.000 0.490 416 M N -1.271 118.330 119.600 0.001 0.000 2.319 416 M HA -0.075 4.405 4.480 0.001 0.000 0.265 416 M C 2.126 178.480 176.300 0.090 0.000 1.068 416 M CA 1.263 56.570 55.300 0.011 0.000 1.118 416 M CB 0.044 32.720 32.600 0.126 0.000 1.395 416 M HN 0.350 nan 8.290 nan 0.000 0.435 417 M N 0.073 119.708 119.600 0.058 0.000 2.334 417 M HA -0.075 4.405 4.480 0.001 0.000 0.266 417 M C 1.777 178.079 176.300 0.002 0.000 1.082 417 M CA 1.785 57.128 55.300 0.072 0.000 1.141 417 M CB 0.093 32.710 32.600 0.029 0.000 1.380 417 M HN 0.122 nan 8.290 nan 0.000 0.440 418 Q N -1.234 118.511 119.800 -0.091 0.000 2.402 418 Q HA 0.050 4.390 4.340 0.001 0.000 0.206 418 Q C -0.238 175.406 176.000 -0.593 0.000 0.919 418 Q CA 0.549 56.183 55.803 -0.282 0.000 0.923 418 Q CB 0.416 28.994 28.738 -0.266 0.000 1.048 418 Q HN 0.508 nan 8.270 nan 0.000 0.515 419 H N 0.247 119.232 119.070 -0.142 0.000 2.380 419 H HA 0.192 4.749 4.556 0.001 0.000 0.231 419 H C -0.067 175.169 175.328 -0.153 0.000 1.415 419 H CA -0.067 55.898 56.048 -0.138 0.000 1.433 419 H CB 0.634 30.265 29.762 -0.219 0.000 1.544 419 H HN 0.229 nan 8.280 nan 0.000 0.503 420 Q N 0.691 120.472 119.800 -0.032 0.000 2.435 420 Q HA -0.094 4.246 4.340 0.001 0.000 0.207 420 Q C 1.891 177.835 176.000 -0.093 0.000 0.956 420 Q CA 0.609 56.357 55.803 -0.093 0.000 0.917 420 Q CB 0.487 29.119 28.738 -0.176 0.000 0.997 420 Q HN 0.519 nan 8.270 nan 0.000 0.497 421 E N 1.289 121.480 120.200 -0.015 0.000 2.358 421 E HA -0.127 4.224 4.350 0.001 0.000 0.195 421 E C -0.239 176.392 176.600 0.051 0.000 1.010 421 E CA 0.600 57.007 56.400 0.011 0.000 0.856 421 E CB -0.045 29.681 29.700 0.044 0.000 0.795 421 E HN 0.148 nan 8.360 nan 0.000 0.504 422 D N 2.315 122.764 120.400 0.083 0.000 2.312 422 D HA 0.089 4.730 4.640 0.001 0.000 0.252 422 D C -1.472 174.881 176.300 0.088 0.000 1.150 422 D CA -1.996 52.083 54.000 0.132 0.000 0.870 422 D CB 1.470 42.380 40.800 0.184 0.000 1.153 422 D HN -0.120 nan 8.370 nan 0.000 0.457 423 P HA 0.074 nan 4.420 nan 0.000 0.245 423 P C -0.143 177.202 177.300 0.074 0.000 1.212 423 P CA 0.228 63.367 63.100 0.064 0.000 0.774 423 P CB 0.393 32.123 31.700 0.049 0.000 0.999 424 L N 1.583 122.864 121.223 0.097 0.000 2.331 424 L HA 0.380 4.720 4.340 0.001 0.000 0.275 424 L C -1.558 175.359 176.870 0.079 0.000 1.022 424 L CA -2.258 52.615 54.840 0.056 0.000 0.812 424 L CB 2.387 44.450 42.059 0.007 0.000 1.257 424 L HN -0.297 nan 8.230 nan 0.000 0.435 425 P HA 0.148 nan 4.420 nan 0.000 0.262 425 P C 0.042 177.234 177.300 -0.181 0.000 1.304 425 P CA 0.320 63.445 63.100 0.042 0.000 0.859 425 P CB 0.228 31.957 31.700 0.049 0.000 1.310 426 I N 2.161 122.524 120.570 -0.346 0.000 2.352 426 I HA 0.236 4.406 4.170 0.001 0.000 0.290 426 I C -2.140 173.476 176.117 -0.835 0.000 1.036 426 I CA -2.766 58.269 61.300 -0.442 0.000 1.336 426 I CB 0.820 38.653 38.000 -0.278 0.000 1.407 426 I HN -0.256 nan 8.210 nan 0.000 0.497 427 P HA -0.023 nan 4.420 nan 0.000 0.266 427 P C 0.303 177.340 177.300 -0.437 0.000 1.195 427 P CA 0.091 62.797 63.100 -0.657 0.000 0.768 427 P CB 0.318 31.871 31.700 -0.245 0.000 0.838 428 F N 1.102 120.908 119.950 -0.240 0.000 2.161 428 F HA -0.139 4.389 4.527 0.001 0.000 0.300 428 F C 1.779 177.531 175.800 -0.080 0.000 1.089 428 F CA 1.604 59.521 58.000 -0.138 0.000 1.282 428 F CB -0.935 38.003 39.000 -0.103 0.000 1.010 428 F HN 0.425 nan 8.300 nan 0.000 0.485 429 E N -0.455 119.818 120.200 0.121 0.000 2.444 429 E HA -0.017 4.333 4.350 0.001 0.000 0.191 429 E C -0.167 176.449 176.600 0.026 0.000 1.041 429 E CA -0.256 56.188 56.400 0.074 0.000 0.883 429 E CB -0.184 29.560 29.700 0.074 0.000 1.024 429 E HN 0.168 nan 8.360 nan 0.000 0.470 430 D N 2.337 122.728 120.400 -0.016 0.000 2.472 430 D HA -0.003 4.637 4.640 0.001 0.000 0.248 430 D C -2.297 174.016 176.300 0.022 0.000 1.174 430 D CA -1.388 52.592 54.000 -0.033 0.000 0.883 430 D CB 0.733 41.473 40.800 -0.100 0.000 1.149 430 D HN -0.123 nan 8.370 nan 0.000 0.488 431 P HA 0.034 nan 4.420 nan 0.000 0.270 431 P C -0.272 177.139 177.300 0.186 0.000 1.223 431 P CA -0.291 62.905 63.100 0.159 0.000 0.785 431 P CB 0.352 32.172 31.700 0.198 0.000 0.923 432 E N 2.494 122.811 120.200 0.195 0.000 2.425 432 E HA 0.092 4.443 4.350 0.001 0.000 0.258 432 E C -2.483 174.164 176.600 0.077 0.000 1.151 432 E CA -1.603 54.852 56.400 0.090 0.000 0.958 432 E CB -1.169 28.548 29.700 0.028 0.000 0.968 432 E HN 0.229 nan 8.360 nan 0.000 0.451 433 P HA 0.104 nan 4.420 nan 0.000 0.275 433 P C -0.582 176.726 177.300 0.013 0.000 1.228 433 P CA -0.022 63.145 63.100 0.112 0.000 0.786 433 P CB 0.433 32.143 31.700 0.017 0.000 0.927 434 Q N 1.331 121.220 119.800 0.147 0.000 3.122 434 Q HA 0.330 4.670 4.340 0.001 0.000 0.282 434 Q C -1.068 175.008 176.000 0.127 0.000 0.947 434 Q CA -0.321 55.448 55.803 -0.055 0.000 0.812 434 Q CB 1.181 29.625 28.738 -0.490 0.000 1.333 434 Q HN 0.188 nan 8.270 nan 0.000 0.430 435 V N 0.556 120.490 119.914 0.034 0.000 2.581 435 V HA 0.709 4.830 4.120 0.001 0.000 0.303 435 V C 0.118 176.198 176.094 -0.023 0.000 1.041 435 V CA -0.503 61.816 62.300 0.032 0.000 0.907 435 V CB 2.110 33.896 31.823 -0.061 0.000 0.994 435 V HN 0.451 nan 8.190 nan 0.000 0.442 436 T N 1.641 116.212 114.554 0.029 0.000 2.916 436 T HA 0.495 4.845 4.350 0.001 0.000 0.305 436 T C -0.916 173.715 174.700 -0.115 0.000 1.119 436 T CA -0.300 61.760 62.100 -0.067 0.000 1.008 436 T CB 1.836 70.656 68.868 -0.079 0.000 1.129 436 T HN 0.836 nan 8.240 nan 0.000 0.480 437 T N 4.620 118.964 114.554 -0.351 0.000 2.772 437 T HA 0.617 4.968 4.350 0.001 0.000 0.288 437 T C -0.178 174.369 174.700 -0.256 0.000 0.994 437 T CA -0.591 61.167 62.100 -0.570 0.000 0.951 437 T CB -0.086 68.040 68.868 -1.236 0.000 0.933 437 T HN 0.499 nan 8.240 nan 0.000 0.447 438 L N 4.589 125.745 121.223 -0.112 0.000 2.436 438 L HA 0.416 4.756 4.340 0.001 0.000 0.265 438 L C 0.689 177.572 176.870 0.021 0.000 1.168 438 L CA -0.973 53.888 54.840 0.034 0.000 0.815 438 L CB 0.237 42.318 42.059 0.038 0.000 1.109 438 L HN 0.624 nan 8.230 nan 0.000 0.462 439 F N 3.174 123.061 119.950 -0.105 0.000 2.568 439 F HA -0.114 4.413 4.527 0.001 0.000 0.394 439 F C 0.208 175.767 175.800 -0.402 0.000 1.032 439 F CA 0.604 58.450 58.000 -0.256 0.000 1.242 439 F CB 0.074 38.975 39.000 -0.166 0.000 0.966 439 F HN 0.399 nan 8.300 nan 0.000 0.560 440 Q N 6.574 125.938 119.800 -0.725 0.000 2.462 440 Q HA 0.254 4.595 4.340 0.001 0.000 0.285 440 Q C -2.025 173.545 176.000 -0.717 0.000 1.035 440 Q CA -1.773 53.662 55.803 -0.614 0.000 0.799 440 Q CB 1.358 29.610 28.738 -0.811 0.000 1.452 440 Q HN 0.226 nan 8.270 nan 0.000 0.404 441 P HA -0.232 nan 4.420 nan 0.000 0.217 441 P C 1.229 178.312 177.300 -0.361 0.000 1.158 441 P CA 2.367 65.302 63.100 -0.276 0.000 0.887 441 P CB 0.181 31.799 31.700 -0.138 0.000 0.792 442 S N -1.727 113.764 115.700 -0.349 0.000 2.562 442 S HA -0.093 4.378 4.470 0.001 0.000 0.221 442 S C 0.487 174.909 174.600 -0.298 0.000 0.975 442 S CA 0.090 58.156 58.200 -0.224 0.000 0.918 442 S CB -1.269 61.892 63.200 -0.064 0.000 0.772 442 S HN 0.437 nan 8.310 nan 0.000 0.531 443 H N -1.234 117.397 119.070 -0.733 0.000 2.562 443 H HA 0.461 5.018 4.556 0.001 0.000 0.230 443 H C -3.159 171.014 175.328 -1.925 0.000 1.415 443 H CA -1.757 53.446 56.048 -1.409 0.000 1.454 443 H CB 0.423 29.615 29.762 -0.951 0.000 1.716 443 H HN 0.080 nan 8.280 nan 0.000 0.538 444 P HA 0.058 nan 4.420 nan 0.000 0.225 444 P C -1.207 175.470 177.300 -1.039 0.000 1.768 444 P CA 0.264 62.294 63.100 -1.783 0.000 0.943 444 P CB -1.070 30.121 31.700 -0.848 0.000 1.936 445 W N -0.528 120.428 121.300 -0.574 0.000 3.118 445 W HA 0.542 5.202 4.660 0.001 0.000 0.328 445 W C -0.964 175.635 176.519 0.134 0.000 1.239 445 W CA -1.281 56.068 57.345 0.007 0.000 1.176 445 W CB 0.137 29.634 29.460 0.062 0.000 1.433 445 W HN -0.030 nan 8.180 nan 0.000 0.562 446 H N 0.828 120.162 119.070 0.439 0.000 2.482 446 H HA 0.720 5.277 4.556 0.001 0.000 0.344 446 H C -0.316 175.151 175.328 0.232 0.000 1.151 446 H CA 0.296 56.513 56.048 0.281 0.000 1.300 446 H CB 1.625 31.534 29.762 0.245 0.000 1.494 446 H HN 0.572 nan 8.280 nan 0.000 0.542 447 T N 2.163 116.336 114.554 -0.636 0.000 2.881 447 T HA 0.450 4.800 4.350 0.001 0.000 0.290 447 T C -0.875 173.504 174.700 -0.536 0.000 1.000 447 T CA -1.115 60.639 62.100 -0.576 0.000 0.978 447 T CB 1.469 69.894 68.868 -0.740 0.000 0.997 447 T HN 0.668 nan 8.240 nan 0.000 0.443 448 Q N 2.406 122.072 119.800 -0.222 0.000 2.310 448 Q HA 0.567 4.908 4.340 0.001 0.000 0.270 448 Q C -1.048 174.797 176.000 -0.259 0.000 1.025 448 Q CA -0.682 54.920 55.803 -0.336 0.000 0.772 448 Q CB 2.583 31.044 28.738 -0.461 0.000 1.253 448 Q HN 0.720 nan 8.270 nan 0.000 0.450 449 I N 3.903 124.289 120.570 -0.306 0.000 2.464 449 I HA 0.360 4.531 4.170 0.001 0.000 0.277 449 I C -0.295 175.703 176.117 -0.199 0.000 1.040 449 I CA -0.250 60.782 61.300 -0.446 0.000 1.153 449 I CB 0.310 37.922 38.000 -0.647 0.000 1.274 449 I HN 0.778 nan 8.210 nan 0.000 0.469 450 H N 3.829 122.718 119.070 -0.302 0.000 3.365 450 H HA 0.638 5.195 4.556 0.001 0.000 0.287 450 H C -1.181 174.074 175.328 -0.122 0.000 1.597 450 H CA -1.326 54.611 56.048 -0.184 0.000 1.192 450 H CB 1.307 30.980 29.762 -0.148 0.000 1.829 450 H HN 0.105 nan 8.280 nan 0.000 0.739 451 R N 1.088 121.374 120.500 -0.356 0.000 2.628 451 R HA 0.325 4.666 4.340 0.001 0.000 0.288 451 R C -1.390 174.579 176.300 -0.552 0.000 0.980 451 R CA -0.510 55.364 56.100 -0.376 0.000 0.891 451 R CB 1.795 32.024 30.300 -0.117 0.000 1.188 451 R HN 0.925 nan 8.270 nan 0.000 0.450 452 D N 0.086 120.237 120.400 -0.414 0.000 2.837 452 D HA 0.436 5.077 4.640 0.001 0.000 0.294 452 D C -0.707 175.569 176.300 -0.040 0.000 1.158 452 D CA -0.803 53.052 54.000 -0.242 0.000 1.073 452 D CB 0.136 40.799 40.800 -0.229 0.000 1.419 452 D HN 0.389 nan 8.370 nan 0.000 0.584 453 A N -0.526 122.304 122.820 0.016 0.000 2.546 453 A HA 0.435 4.756 4.320 0.001 0.000 0.243 453 A C -0.816 176.840 177.584 0.120 0.000 1.063 453 A CA 0.219 52.308 52.037 0.088 0.000 0.757 453 A CB -0.843 18.228 19.000 0.119 0.000 0.991 453 A HN 0.482 nan 8.150 nan 0.000 0.503 454 F N 1.624 121.512 119.950 -0.103 0.000 2.650 454 F HA 0.442 4.969 4.527 0.001 0.000 0.310 454 F C 0.031 175.638 175.800 -0.323 0.000 1.112 454 F CA -0.150 57.696 58.000 -0.256 0.000 0.986 454 F CB 1.789 40.572 39.000 -0.362 0.000 1.285 454 F HN 0.621 nan 8.300 nan 0.000 0.440 455 S N 3.955 119.126 115.700 -0.883 0.000 2.422 455 S HA 0.536 5.007 4.470 0.001 0.000 0.298 455 S C -1.256 173.059 174.600 -0.476 0.000 1.118 455 S CA -0.435 57.462 58.200 -0.505 0.000 1.083 455 S CB 0.239 63.191 63.200 -0.413 0.000 0.971 455 S HN 0.465 nan 8.310 nan 0.000 0.478 456 Y N 2.244 122.596 120.300 0.086 0.000 2.308 456 Y HA 0.530 5.081 4.550 0.001 0.000 0.329 456 Y C 1.462 177.411 175.900 0.083 0.000 1.111 456 Y CA 0.027 58.236 58.100 0.181 0.000 1.179 456 Y CB 0.687 39.267 38.460 0.201 0.000 1.201 456 Y HN 0.955 nan 8.280 nan 0.000 0.483 457 G N 0.925 109.863 108.800 0.229 0.000 2.690 457 G HA2 0.239 4.200 3.960 0.001 0.000 0.239 457 G HA3 0.239 4.200 3.960 0.001 0.000 0.239 457 G C 0.803 175.792 174.900 0.149 0.000 1.233 457 G CA -0.050 45.135 45.100 0.142 0.000 0.847 457 G HN 0.915 nan 8.290 nan 0.000 0.588 458 A N -0.334 122.543 122.820 0.094 0.000 2.248 458 A HA 0.180 4.501 4.320 0.001 0.000 0.210 458 A C 1.861 179.487 177.584 0.070 0.000 1.174 458 A CA 1.731 53.814 52.037 0.076 0.000 0.750 458 A CB -0.243 18.787 19.000 0.051 0.000 0.780 458 A HN 1.121 nan 8.150 nan 0.000 0.478 459 V N -3.869 116.096 119.914 0.086 0.000 3.562 459 V HA -0.009 4.111 4.120 0.001 0.000 0.270 459 V C 1.613 177.761 176.094 0.089 0.000 1.418 459 V CA 0.467 62.810 62.300 0.071 0.000 1.033 459 V CB -0.721 31.138 31.823 0.059 0.000 0.820 459 V HN 0.508 nan 8.190 nan 0.000 0.441 460 Q N 0.925 120.818 119.800 0.155 0.000 2.436 460 Q HA -0.065 4.276 4.340 0.001 0.000 0.209 460 Q C 1.763 177.769 176.000 0.010 0.000 0.965 460 Q CA 1.118 57.031 55.803 0.184 0.000 0.910 460 Q CB -0.202 28.840 28.738 0.507 0.000 0.980 460 Q HN 0.701 nan 8.270 nan 0.000 0.491 461 Q N -0.094 119.742 119.800 0.061 0.000 2.432 461 Q HA 0.041 4.382 4.340 0.001 0.000 0.205 461 Q C 1.840 177.830 176.000 -0.017 0.000 0.945 461 Q CA 0.319 56.123 55.803 0.002 0.000 0.924 461 Q CB 0.281 29.055 28.738 0.060 0.000 1.016 461 Q HN 0.131 nan 8.270 nan 0.000 0.503 462 S N -0.036 115.664 115.700 0.000 0.000 2.428 462 S HA 0.006 4.477 4.470 0.001 0.000 0.230 462 S C 0.755 175.343 174.600 -0.019 0.000 1.014 462 S CA 0.329 58.528 58.200 -0.001 0.000 0.957 462 S CB 0.261 63.469 63.200 0.015 0.000 0.784 462 S HN 0.153 nan 8.310 nan 0.000 0.499 463 I N 2.589 123.130 120.570 -0.047 0.000 2.396 463 I HA 0.237 4.407 4.170 0.001 0.000 0.292 463 I C 0.392 176.461 176.117 -0.080 0.000 0.999 463 I CA -0.899 60.368 61.300 -0.054 0.000 1.310 463 I CB 0.831 38.799 38.000 -0.054 0.000 1.404 463 I HN 0.149 nan 8.210 nan 0.000 0.496 464 D N 4.045 124.418 120.400 -0.044 0.000 2.450 464 D HA -0.039 4.602 4.640 0.001 0.000 0.247 464 D C 1.102 177.364 176.300 -0.063 0.000 1.162 464 D CA 0.113 54.092 54.000 -0.035 0.000 0.879 464 D CB 1.173 41.977 40.800 0.007 0.000 1.163 464 D HN 0.628 nan 8.370 nan 0.000 0.472 465 S N 4.254 119.909 115.700 -0.075 0.000 2.442 465 S HA -0.165 4.306 4.470 0.001 0.000 0.236 465 S C 1.682 176.260 174.600 -0.037 0.000 1.007 465 S CA 0.492 58.638 58.200 -0.091 0.000 0.965 465 S CB -0.032 63.128 63.200 -0.067 0.000 0.773 465 S HN 0.548 nan 8.310 nan 0.000 0.504 466 R N 0.846 121.338 120.500 -0.014 0.000 2.193 466 R HA 0.129 4.469 4.340 0.001 0.000 0.229 466 R C 1.856 178.144 176.300 -0.020 0.000 1.110 466 R CA 1.155 57.245 56.100 -0.016 0.000 0.988 466 R CB -0.581 29.703 30.300 -0.026 0.000 0.871 466 R HN 0.446 nan 8.270 nan 0.000 0.458 467 L N 0.387 121.599 121.223 -0.019 0.000 2.395 467 L HA 0.068 4.409 4.340 0.001 0.000 0.218 467 L C 0.768 177.640 176.870 0.003 0.000 1.130 467 L CA 0.345 55.180 54.840 -0.009 0.000 0.826 467 L CB 0.010 42.062 42.059 -0.011 0.000 0.941 467 L HN 0.070 nan 8.230 nan 0.000 0.451 468 I N 0.089 120.656 120.570 -0.006 0.000 2.396 468 I HA 0.238 4.408 4.170 0.001 0.000 0.292 468 I C -0.591 175.543 176.117 0.028 0.000 0.999 468 I CA -0.386 60.922 61.300 0.014 0.000 1.310 468 I CB 1.741 39.733 38.000 -0.014 0.000 1.404 468 I HN -0.302 nan 8.210 nan 0.000 0.496 469 V N 4.822 124.772 119.914 0.060 0.000 2.638 469 V HA 0.327 4.447 4.120 0.001 0.000 0.306 469 V C -0.842 175.261 176.094 0.015 0.000 1.052 469 V CA -0.858 61.444 62.300 0.004 0.000 0.885 469 V CB 2.101 33.926 31.823 0.003 0.000 0.999 469 V HN 0.591 nan 8.190 nan 0.000 0.424 470 D N 2.727 123.076 120.400 -0.085 0.000 2.175 470 D HA 0.452 5.093 4.640 0.001 0.000 0.248 470 D C -1.005 175.230 176.300 -0.108 0.000 1.047 470 D CA 0.008 53.989 54.000 -0.031 0.000 0.883 470 D CB 1.567 42.404 40.800 0.063 0.000 1.180 470 D HN 0.443 nan 8.370 nan 0.000 0.438 471 W N 1.364 122.618 121.300 -0.076 0.000 2.538 471 W HA 0.434 5.094 4.660 0.001 0.000 0.322 471 W C 0.293 176.842 176.519 0.049 0.000 1.028 471 W CA -0.823 56.529 57.345 0.012 0.000 1.228 471 W CB 1.337 30.705 29.460 -0.153 0.000 1.356 471 W HN -0.081 nan 8.180 nan 0.000 0.452 472 R N 3.039 123.756 120.500 0.360 0.000 2.483 472 R HA 0.502 4.843 4.340 0.001 0.000 0.303 472 R C -1.588 174.876 176.300 0.274 0.000 0.987 472 R CA -0.897 55.319 56.100 0.192 0.000 0.881 472 R CB 1.683 32.061 30.300 0.131 0.000 1.177 472 R HN 0.180 nan 8.270 nan 0.000 0.451 473 F N 3.026 122.818 119.950 -0.263 0.000 2.482 473 F HA 0.498 5.025 4.527 0.001 0.000 0.331 473 F C -0.314 175.349 175.800 -0.228 0.000 1.115 473 F CA -1.484 56.442 58.000 -0.124 0.000 0.955 473 F CB 1.098 40.001 39.000 -0.163 0.000 1.136 473 F HN 0.304 nan 8.300 nan 0.000 0.452 474 F N 1.405 121.556 119.950 0.336 0.000 2.449 474 F HA 0.667 5.195 4.527 0.001 0.000 0.342 474 F C 0.639 176.649 175.800 0.349 0.000 1.127 474 F CA -1.004 57.190 58.000 0.322 0.000 0.975 474 F CB 1.532 40.766 39.000 0.389 0.000 1.146 474 F HN 0.521 nan 8.300 nan 0.000 0.444 475 G N 2.150 111.203 108.800 0.421 0.000 2.461 475 G HA2 0.672 4.633 3.960 0.001 0.000 0.329 475 G HA3 0.672 4.633 3.960 0.001 0.000 0.329 475 G C -0.979 174.106 174.900 0.308 0.000 1.170 475 G CA -1.108 44.214 45.100 0.369 0.000 0.935 475 G HN 0.691 nan 8.290 nan 0.000 0.492 476 R N -0.776 119.899 120.500 0.292 0.000 2.486 476 R HA 0.691 5.031 4.340 0.001 0.000 0.286 476 R C -0.926 175.466 176.300 0.153 0.000 0.999 476 R CA -0.551 55.651 56.100 0.170 0.000 0.993 476 R CB 1.307 31.725 30.300 0.198 0.000 1.084 476 R HN 0.273 nan 8.270 nan 0.000 0.487 477 T N 1.636 116.250 114.554 0.100 0.000 2.824 477 T HA 0.150 4.501 4.350 0.001 0.000 0.282 477 T C -0.817 173.965 174.700 0.138 0.000 0.993 477 T CA -0.654 61.557 62.100 0.185 0.000 0.967 477 T CB 1.454 70.511 68.868 0.316 0.000 0.960 477 T HN 0.615 nan 8.240 nan 0.000 0.441 478 E N 3.719 124.005 120.200 0.145 0.000 2.344 478 E HA 0.163 4.513 4.350 0.001 0.000 0.270 478 E C -2.273 174.409 176.600 0.136 0.000 1.021 478 E CA -1.887 54.587 56.400 0.123 0.000 0.887 478 E CB 0.538 30.301 29.700 0.104 0.000 0.997 478 E HN 0.202 nan 8.360 nan 0.000 0.429 479 P HA 0.056 nan 4.420 nan 0.000 0.271 479 P C -1.256 176.203 177.300 0.265 0.000 1.233 479 P CA 0.224 63.465 63.100 0.236 0.000 0.764 479 P CB 0.530 32.382 31.700 0.252 0.000 0.825 480 K N 2.612 123.115 120.400 0.173 0.000 2.422 480 K HA 0.176 4.496 4.320 0.001 0.000 0.251 480 K C 0.920 177.358 176.600 -0.269 0.000 0.933 480 K CA -0.724 55.581 56.287 0.031 0.000 0.798 480 K CB 2.096 34.569 32.500 -0.045 0.000 1.238 480 K HN 0.405 nan 8.250 nan 0.000 0.428 481 E N 2.134 122.010 120.200 -0.539 0.000 2.110 481 E HA -0.212 4.139 4.350 0.001 0.000 0.193 481 E C 0.976 177.331 176.600 -0.407 0.000 0.988 481 E CA 1.556 57.400 56.400 -0.927 0.000 0.804 481 E CB 0.398 29.765 29.700 -0.556 0.000 0.745 481 E HN 0.558 nan 8.360 nan 0.000 0.458 482 E N 0.395 120.459 120.200 -0.226 0.000 2.338 482 E HA -0.128 4.223 4.350 0.001 0.000 0.197 482 E C -0.071 176.474 176.600 -0.092 0.000 1.007 482 E CA 0.369 56.690 56.400 -0.131 0.000 0.849 482 E CB -0.289 29.350 29.700 -0.102 0.000 0.774 482 E HN 0.101 nan 8.360 nan 0.000 0.506 483 N N 1.904 120.540 118.700 -0.107 0.000 2.420 483 N HA 0.199 4.940 4.740 0.001 0.000 0.249 483 N C -0.835 174.741 175.510 0.109 0.000 1.033 483 N CA 0.021 53.064 53.050 -0.012 0.000 0.944 483 N CB 1.118 39.559 38.487 -0.077 0.000 1.113 483 N HN 0.106 nan 8.380 nan 0.000 0.502 484 K N 1.063 121.581 120.400 0.196 0.000 2.435 484 K HA 0.483 4.803 4.320 0.001 0.000 0.251 484 K C -1.146 175.622 176.600 0.280 0.000 0.954 484 K CA -0.936 55.488 56.287 0.229 0.000 0.820 484 K CB 2.380 35.019 32.500 0.232 0.000 1.292 484 K HN 0.144 nan 8.250 nan 0.000 0.436 485 L N 3.885 125.216 121.223 0.181 0.000 2.298 485 L HA 0.560 4.901 4.340 0.001 0.000 0.284 485 L C -1.373 175.436 176.870 -0.103 0.000 1.013 485 L CA -0.094 54.689 54.840 -0.094 0.000 0.824 485 L CB 0.503 42.522 42.059 -0.066 0.000 1.221 485 L HN 0.697 nan 8.230 nan 0.000 0.418 486 W N 3.747 124.769 121.300 -0.465 0.000 3.017 486 W HA 0.652 5.313 4.660 0.001 0.000 0.341 486 W C -2.181 173.888 176.519 -0.750 0.000 1.180 486 W CA -1.276 55.841 57.345 -0.379 0.000 1.097 486 W CB 0.914 30.308 29.460 -0.110 0.000 1.468 486 W HN 0.324 nan 8.180 nan 0.000 0.584 487 F N 1.461 121.554 119.950 0.239 0.000 2.529 487 F HA 0.348 4.875 4.527 0.001 0.000 0.320 487 F C 0.742 176.672 175.800 0.216 0.000 1.118 487 F CA -0.954 57.081 58.000 0.057 0.000 0.915 487 F CB 2.119 41.150 39.000 0.051 0.000 1.161 487 F HN 0.261 nan 8.300 nan 0.000 0.445 488 S N 0.983 116.797 115.700 0.190 0.000 2.562 488 S HA 0.064 4.535 4.470 0.001 0.000 0.281 488 S C 0.677 175.409 174.600 0.221 0.000 1.333 488 S CA -0.489 57.857 58.200 0.243 0.000 1.052 488 S CB 0.351 63.609 63.200 0.097 0.000 0.884 488 S HN 0.686 nan 8.310 nan 0.000 0.506 489 D N 2.854 123.377 120.400 0.204 0.000 2.339 489 D HA 0.157 4.798 4.640 0.001 0.000 0.217 489 D C 0.977 177.334 176.300 0.095 0.000 1.050 489 D CA 0.255 54.334 54.000 0.132 0.000 0.856 489 D CB 0.256 41.121 40.800 0.108 0.000 0.922 489 D HN 0.331 nan 8.370 nan 0.000 0.518 490 K N -0.201 120.258 120.400 0.100 0.000 2.485 490 K HA 0.171 4.492 4.320 0.001 0.000 0.200 490 K C 0.056 176.694 176.600 0.064 0.000 1.352 490 K CA 0.027 56.358 56.287 0.073 0.000 0.953 490 K CB 0.978 33.524 32.500 0.076 0.000 1.387 490 K HN 0.027 nan 8.250 nan 0.000 0.512 491 I N 3.169 123.780 120.570 0.068 0.000 2.472 491 I HA 0.155 4.325 4.170 0.001 0.000 0.290 491 I C 0.583 176.730 176.117 0.051 0.000 1.016 491 I CA -0.066 61.263 61.300 0.048 0.000 1.348 491 I CB 1.098 39.115 38.000 0.028 0.000 1.417 491 I HN 0.144 nan 8.210 nan 0.000 0.521 492 T N 0.998 115.579 114.554 0.045 0.000 2.916 492 T HA 0.586 4.937 4.350 0.001 0.000 0.292 492 T C -0.413 174.319 174.700 0.054 0.000 1.055 492 T CA -0.914 61.219 62.100 0.055 0.000 1.009 492 T CB 2.421 71.318 68.868 0.048 0.000 1.118 492 T HN 0.548 nan 8.240 nan 0.000 0.497 493 D N 0.602 121.050 120.400 0.079 0.000 2.478 493 D HA 0.466 5.107 4.640 0.001 0.000 0.274 493 D C 1.606 177.951 176.300 0.075 0.000 1.234 493 D CA -0.443 53.612 54.000 0.092 0.000 1.069 493 D CB 0.061 40.949 40.800 0.147 0.000 1.113 493 D HN 0.661 nan 8.370 nan 0.000 0.571 494 A N -1.334 121.531 122.820 0.075 0.000 2.121 494 A HA -0.116 4.205 4.320 0.001 0.000 0.218 494 A C 1.173 178.611 177.584 -0.243 0.000 1.154 494 A CA 0.869 52.861 52.037 -0.075 0.000 0.679 494 A CB -0.950 17.984 19.000 -0.109 0.000 0.795 494 A HN 0.543 nan 8.150 nan 0.000 0.458 495 Y N -1.171 119.145 120.300 0.026 0.000 2.625 495 Y HA 0.227 4.778 4.550 0.001 0.000 0.285 495 Y C 0.845 176.764 175.900 0.032 0.000 1.168 495 Y CA -0.248 57.869 58.100 0.028 0.000 1.250 495 Y CB -0.289 38.173 38.460 0.004 0.000 1.130 495 Y HN 0.427 nan 8.280 nan 0.000 0.526 496 N N 0.176 118.936 118.700 0.100 0.000 2.725 496 N HA -0.184 4.557 4.740 0.001 0.000 0.249 496 N C -0.734 174.818 175.510 0.070 0.000 1.103 496 N CA 0.580 53.670 53.050 0.066 0.000 0.707 496 N CB -0.566 37.943 38.487 0.038 0.000 1.043 496 N HN 0.125 nan 8.380 nan 0.000 0.553 497 M N -0.247 119.412 119.600 0.097 0.000 2.598 497 M HA 0.450 4.931 4.480 0.001 0.000 0.317 497 M C -2.069 174.285 176.300 0.090 0.000 1.201 497 M CA -2.142 53.203 55.300 0.075 0.000 0.971 497 M CB 0.751 33.396 32.600 0.075 0.000 1.657 497 M HN -0.213 nan 8.290 nan 0.000 0.470 498 P HA -0.022 nan 4.420 nan 0.000 0.260 498 P C -0.579 176.861 177.300 0.234 0.000 1.185 498 P CA 0.118 63.304 63.100 0.143 0.000 0.763 498 P CB 0.130 31.915 31.700 0.143 0.000 0.776 499 Q N 7.128 127.011 119.800 0.138 0.000 2.255 499 Q HA 0.120 4.460 4.340 0.001 0.000 0.280 499 Q C -2.220 173.740 176.000 -0.067 0.000 1.068 499 Q CA -1.766 54.068 55.803 0.053 0.000 0.911 499 Q CB -0.384 28.338 28.738 -0.027 0.000 1.157 499 Q HN 0.296 nan 8.270 nan 0.000 0.380 500 P HA 0.069 nan 4.420 nan 0.000 0.268 500 P C -1.071 175.734 177.300 -0.826 0.000 1.204 500 P CA 0.014 62.696 63.100 -0.696 0.000 0.768 500 P CB 0.882 32.277 31.700 -0.509 0.000 0.842 501 T N 3.266 117.096 114.554 -1.205 0.000 2.921 501 T HA 0.498 4.849 4.350 0.001 0.000 0.297 501 T C -0.513 173.495 174.700 -1.153 0.000 1.013 501 T CA -0.151 61.240 62.100 -1.182 0.000 0.990 501 T CB 0.392 68.270 68.868 -1.651 0.000 1.023 501 T HN 0.028 nan 8.240 nan 0.000 0.447 502 F N 1.885 121.562 119.950 -0.456 0.000 2.379 502 F HA 0.535 5.062 4.527 0.001 0.000 0.332 502 F C 0.780 176.555 175.800 -0.042 0.000 1.096 502 F CA -0.937 56.929 58.000 -0.223 0.000 1.105 502 F CB 0.945 39.858 39.000 -0.145 0.000 1.189 502 F HN 0.390 nan 8.300 nan 0.000 0.515 503 D N 2.841 123.441 120.400 0.333 0.000 2.375 503 D HA 0.217 4.858 4.640 0.001 0.000 0.259 503 D C -1.794 174.648 176.300 0.237 0.000 1.235 503 D CA -0.098 54.068 54.000 0.276 0.000 0.924 503 D CB 0.336 41.321 40.800 0.308 0.000 1.143 503 D HN 0.293 nan 8.370 nan 0.000 0.529 504 F N 3.048 122.995 119.950 -0.005 0.000 2.569 504 F HA 0.588 5.116 4.527 0.001 0.000 0.312 504 F C -1.145 174.553 175.800 -0.171 0.000 1.109 504 F CA -0.599 57.331 58.000 -0.117 0.000 0.919 504 F CB 1.401 40.260 39.000 -0.235 0.000 1.211 504 F HN -0.008 nan 8.300 nan 0.000 0.446 505 R N 4.446 124.469 120.500 -0.795 0.000 2.673 505 R HA 0.336 4.677 4.340 0.001 0.000 0.281 505 R C -1.597 174.121 176.300 -0.971 0.000 0.991 505 R CA -0.960 54.771 56.100 -0.616 0.000 0.896 505 R CB 1.726 31.858 30.300 -0.280 0.000 1.201 505 R HN 0.581 nan 8.270 nan 0.000 0.457 506 F N 3.250 122.979 119.950 -0.369 0.000 2.590 506 F HA 0.101 4.629 4.527 0.001 0.000 0.389 506 F C -1.257 174.420 175.800 -0.205 0.000 1.049 506 F CA -0.805 57.064 58.000 -0.219 0.000 1.199 506 F CB -0.258 38.728 39.000 -0.022 0.000 1.058 506 F HN 0.151 nan 8.300 nan 0.000 0.556 507 P HA 0.079 nan 4.420 nan 0.000 0.265 507 P C -0.504 176.814 177.300 0.030 0.000 1.187 507 P CA -0.088 63.002 63.100 -0.015 0.000 0.766 507 P CB 0.477 32.185 31.700 0.014 0.000 0.820 508 A N 2.762 125.585 122.820 0.005 0.000 2.366 508 A HA 0.545 4.866 4.320 0.001 0.000 0.250 508 A C 1.104 178.704 177.584 0.026 0.000 1.099 508 A CA 0.803 52.847 52.037 0.013 0.000 0.794 508 A CB -0.955 18.046 19.000 0.001 0.000 1.056 508 A HN 0.846 nan 8.150 nan 0.000 0.499 509 G N -0.125 108.691 108.800 0.027 0.000 2.481 509 G HA2 -0.239 3.722 3.960 0.001 0.000 0.230 509 G HA3 -0.239 3.722 3.960 0.001 0.000 0.230 509 G C 0.987 175.916 174.900 0.048 0.000 1.210 509 G CA 0.717 45.839 45.100 0.036 0.000 0.936 509 G HN 1.069 nan 8.290 nan 0.000 0.583 510 R N -0.221 120.314 120.500 0.058 0.000 2.103 510 R HA -0.112 4.229 4.340 0.001 0.000 0.242 510 R C 2.745 179.099 176.300 0.089 0.000 1.142 510 R CA 2.797 58.941 56.100 0.073 0.000 0.960 510 R CB -0.960 29.385 30.300 0.076 0.000 0.858 510 R HN 0.632 nan 8.270 nan 0.000 0.439 511 T N 0.050 114.660 114.554 0.093 0.000 2.665 511 T HA -0.128 4.223 4.350 0.001 0.000 0.268 511 T C 1.895 176.638 174.700 0.073 0.000 1.035 511 T CA 1.950 64.115 62.100 0.109 0.000 1.151 511 T CB -0.164 68.788 68.868 0.139 0.000 0.862 511 T HN 0.307 nan 8.240 nan 0.000 0.438 512 S N 0.336 116.065 115.700 0.049 0.000 2.377 512 S HA 0.008 4.478 4.470 0.001 0.000 0.223 512 S C 2.014 176.618 174.600 0.007 0.000 1.030 512 S CA 0.803 59.004 58.200 0.002 0.000 0.970 512 S CB -0.145 63.057 63.200 0.004 0.000 0.830 512 S HN 0.484 nan 8.310 nan 0.000 0.473 513 K N 1.451 121.872 120.400 0.035 0.000 2.026 513 K HA -0.121 4.200 4.320 0.001 0.000 0.208 513 K C 1.827 178.473 176.600 0.076 0.000 1.048 513 K CA 1.429 57.744 56.287 0.047 0.000 0.929 513 K CB -0.141 32.391 32.500 0.054 0.000 0.713 513 K HN 0.343 nan 8.250 nan 0.000 0.439 514 E N -0.008 120.260 120.200 0.115 0.000 2.110 514 E HA -0.169 4.182 4.350 0.001 0.000 0.193 514 E C 1.943 178.606 176.600 0.105 0.000 0.988 514 E CA 0.925 57.443 56.400 0.197 0.000 0.804 514 E CB -0.089 29.770 29.700 0.265 0.000 0.745 514 E HN 0.454 nan 8.360 nan 0.000 0.458 515 A N 1.301 124.158 122.820 0.062 0.000 1.902 515 A HA -0.250 4.071 4.320 0.001 0.000 0.217 515 A C 2.064 179.682 177.584 0.056 0.000 1.181 515 A CA 1.796 53.860 52.037 0.045 0.000 0.623 515 A CB -0.344 18.665 19.000 0.014 0.000 0.818 515 A HN 0.147 nan 8.150 nan 0.000 0.443 516 E N 0.406 120.636 120.200 0.050 0.000 2.107 516 E HA -0.132 4.218 4.350 0.001 0.000 0.191 516 E C 1.278 177.845 176.600 -0.056 0.000 0.982 516 E CA 1.354 57.784 56.400 0.050 0.000 0.809 516 E CB -0.224 29.494 29.700 0.031 0.000 0.756 516 E HN 0.521 nan 8.360 nan 0.000 0.459 517 D N 0.082 120.446 120.400 -0.061 0.000 2.144 517 D HA -0.193 4.448 4.640 0.001 0.000 0.199 517 D C 1.912 177.954 176.300 -0.431 0.000 0.984 517 D CA 1.279 55.226 54.000 -0.090 0.000 0.834 517 D CB -0.329 40.547 40.800 0.127 0.000 0.955 517 D HN 0.337 nan 8.370 nan 0.000 0.465 518 M N -0.209 118.908 119.600 -0.806 0.000 2.117 518 M HA -0.192 4.289 4.480 0.001 0.000 0.262 518 M C 2.080 177.951 176.300 -0.715 0.000 1.065 518 M CA 1.216 55.716 55.300 -1.334 0.000 1.114 518 M CB 0.014 32.004 32.600 -1.017 0.000 1.361 518 M HN -0.049 nan 8.290 nan 0.000 0.408 519 M N 0.405 119.708 119.600 -0.494 0.000 2.065 519 M HA -0.157 4.324 4.480 0.001 0.000 0.259 519 M C 1.816 177.896 176.300 -0.367 0.000 1.069 519 M CA 2.435 57.452 55.300 -0.471 0.000 1.110 519 M CB -0.986 31.404 32.600 -0.349 0.000 1.328 519 M HN 0.275 nan 8.290 nan 0.000 0.405 520 T N 0.069 114.477 114.554 -0.243 0.000 2.720 520 T HA -0.178 4.173 4.350 0.001 0.000 0.268 520 T C 1.493 176.113 174.700 -0.134 0.000 1.037 520 T CA 1.845 63.856 62.100 -0.149 0.000 1.144 520 T CB -0.624 68.201 68.868 -0.071 0.000 0.864 520 T HN 0.537 nan 8.240 nan 0.000 0.444 521 D N 0.469 120.788 120.400 -0.134 0.000 2.117 521 D HA -0.067 4.574 4.640 0.001 0.000 0.197 521 D C 2.065 178.348 176.300 -0.028 0.000 0.987 521 D CA 0.875 54.907 54.000 0.052 0.000 0.829 521 D CB -0.225 40.727 40.800 0.254 0.000 0.961 521 D HN 0.291 nan 8.370 nan 0.000 0.460 522 M N -0.502 118.842 119.600 -0.428 0.000 2.117 522 M HA -0.183 4.298 4.480 0.001 0.000 0.262 522 M C 1.976 177.978 176.300 -0.496 0.000 1.065 522 M CA 1.371 56.175 55.300 -0.827 0.000 1.114 522 M CB -0.158 31.640 32.600 -1.336 0.000 1.361 522 M HN 0.201 nan 8.290 nan 0.000 0.408 523 C N -0.388 118.716 119.300 -0.326 0.000 2.429 523 C HA -0.116 4.345 4.460 0.001 0.000 0.277 523 C C 2.666 177.553 174.990 -0.171 0.000 1.262 523 C CA 0.893 59.817 59.018 -0.157 0.000 1.733 523 C CB -1.023 26.676 27.740 -0.069 0.000 2.010 523 C HN 0.502 nan 8.230 nan 0.000 0.483 524 V N 0.518 120.366 119.914 -0.111 0.000 2.270 524 V HA -0.297 3.824 4.120 0.001 0.000 0.245 524 V C 2.413 178.483 176.094 -0.041 0.000 1.043 524 V CA 2.301 64.569 62.300 -0.053 0.000 1.014 524 V CB -0.670 31.174 31.823 0.035 0.000 0.645 524 V HN 0.575 nan 8.190 nan 0.000 0.447 525 M N 0.693 120.312 119.600 0.031 0.000 2.132 525 M HA -0.165 4.316 4.480 0.001 0.000 0.263 525 M C 2.484 178.677 176.300 -0.179 0.000 1.065 525 M CA 2.244 57.634 55.300 0.151 0.000 1.122 525 M CB -0.211 32.613 32.600 0.373 0.000 1.365 525 M HN 0.573 nan 8.290 nan 0.000 0.411 526 S N 0.496 115.787 115.700 -0.682 0.000 2.399 526 S HA -0.094 4.376 4.470 0.001 0.000 0.231 526 S C 1.965 176.205 174.600 -0.601 0.000 1.022 526 S CA 1.072 58.522 58.200 -1.250 0.000 0.983 526 S CB -0.831 61.451 63.200 -1.529 0.000 0.803 526 S HN 0.565 nan 8.310 nan 0.000 0.480 527 A N 1.900 124.455 122.820 -0.442 0.000 2.070 527 A HA -0.018 4.303 4.320 0.001 0.000 0.220 527 A C 2.172 179.638 177.584 -0.197 0.000 1.159 527 A CA 1.411 53.243 52.037 -0.342 0.000 0.656 527 A CB -0.560 18.269 19.000 -0.285 0.000 0.800 527 A HN 0.655 nan 8.150 nan 0.000 0.453 528 K N -0.764 119.565 120.400 -0.119 0.000 2.288 528 K HA 0.020 4.341 4.320 0.001 0.000 0.201 528 K C 1.091 177.686 176.600 -0.008 0.000 1.048 528 K CA 0.782 57.042 56.287 -0.045 0.000 0.956 528 K CB 0.015 32.521 32.500 0.010 0.000 0.746 528 K HN 0.411 nan 8.250 nan 0.000 0.461 529 I N -1.032 119.549 120.570 0.018 0.000 3.445 529 I HA 0.181 4.351 4.170 0.001 0.000 0.288 529 I C 1.109 177.244 176.117 0.030 0.000 1.198 529 I CA 0.536 61.889 61.300 0.090 0.000 1.417 529 I CB 0.124 38.306 38.000 0.304 0.000 1.205 529 I HN 0.104 nan 8.210 nan 0.000 0.448 530 G N -0.600 108.166 108.800 -0.056 0.000 2.342 530 G HA2 0.464 4.425 3.960 0.001 0.000 0.297 530 G HA3 0.464 4.425 3.960 0.001 0.000 0.297 530 G C -0.789 173.963 174.900 -0.247 0.000 1.313 530 G CA -0.127 44.910 45.100 -0.106 0.000 0.830 530 G HN 0.281 nan 8.290 nan 0.000 0.506 531 G N -1.179 107.477 108.800 -0.239 0.000 2.504 531 G HA2 0.575 4.535 3.960 0.001 0.000 0.288 531 G HA3 0.575 4.535 3.960 0.001 0.000 0.288 531 G C -0.397 174.322 174.900 -0.301 0.000 1.182 531 G CA -0.577 44.294 45.100 -0.382 0.000 0.894 531 G HN 0.427 nan 8.290 nan 0.000 0.521 532 F N -0.573 119.295 119.950 -0.137 0.000 2.563 532 F HA 0.172 4.700 4.527 0.001 0.000 0.363 532 F C 0.763 176.513 175.800 -0.083 0.000 1.123 532 F CA -0.686 57.228 58.000 -0.142 0.000 1.307 532 F CB 0.676 39.583 39.000 -0.155 0.000 1.115 532 F HN 0.163 nan 8.300 nan 0.000 0.592 533 L N 6.254 127.558 121.223 0.135 0.000 2.361 533 L HA 0.367 4.708 4.340 0.001 0.000 0.278 533 L C -2.375 174.550 176.870 0.091 0.000 1.113 533 L CA -1.766 53.129 54.840 0.090 0.000 0.849 533 L CB 0.018 42.127 42.059 0.084 0.000 1.155 533 L HN 0.289 nan 8.230 nan 0.000 0.452 534 P HA 0.187 nan 4.420 nan 0.000 0.262 534 P C 0.630 177.977 177.300 0.078 0.000 1.182 534 P CA 1.097 64.238 63.100 0.068 0.000 0.761 534 P CB 0.695 32.430 31.700 0.059 0.000 0.795 535 G N 2.379 111.215 108.800 0.060 0.000 2.241 535 G HA2 -0.241 3.719 3.960 0.001 0.000 0.244 535 G HA3 -0.241 3.719 3.960 0.001 0.000 0.244 535 G C 0.606 175.570 174.900 0.106 0.000 0.998 535 G CA 0.216 45.365 45.100 0.082 0.000 0.621 535 G HN 0.510 nan 8.290 nan 0.000 0.519 536 S N 1.175 116.923 115.700 0.080 0.000 2.668 536 S HA 0.588 5.059 4.470 0.001 0.000 0.244 536 S C 0.934 175.447 174.600 -0.145 0.000 1.140 536 S CA 0.231 58.470 58.200 0.066 0.000 1.134 536 S CB 0.651 63.896 63.200 0.075 0.000 0.954 536 S HN 1.132 nan 8.310 nan 0.000 0.490 537 G N 2.746 111.430 108.800 -0.194 0.000 2.684 537 G HA2 0.381 4.341 3.960 0.001 0.000 0.255 537 G HA3 0.381 4.341 3.960 0.001 0.000 0.255 537 G C -2.824 171.746 174.900 -0.549 0.000 1.219 537 G CA -1.369 43.428 45.100 -0.504 0.000 0.901 537 G HN 0.139 nan 8.290 nan 0.000 0.548 538 P HA 0.088 nan 4.420 nan 0.000 0.263 538 P C -0.512 176.581 177.300 -0.345 0.000 1.195 538 P CA 0.597 63.341 63.100 -0.594 0.000 0.762 538 P CB 0.489 31.794 31.700 -0.657 0.000 0.799 539 Q N 1.787 121.426 119.800 -0.267 0.000 2.426 539 Q HA 0.454 4.794 4.340 0.001 0.000 0.278 539 Q C -1.455 174.435 176.000 -0.184 0.000 1.007 539 Q CA -0.849 54.882 55.803 -0.120 0.000 0.850 539 Q CB 0.654 29.390 28.738 -0.003 0.000 1.427 539 Q HN 0.084 nan 8.270 nan 0.000 0.391 540 F N 1.722 121.629 119.950 -0.071 0.000 2.429 540 F HA 0.281 4.808 4.527 0.001 0.000 0.348 540 F C 0.648 176.432 175.800 -0.027 0.000 1.109 540 F CA -0.212 57.750 58.000 -0.064 0.000 1.232 540 F CB 0.867 39.820 39.000 -0.078 0.000 1.157 540 F HN 0.406 nan 8.300 nan 0.000 0.564 541 M N 1.716 121.382 119.600 0.110 0.000 2.288 541 M HA 0.129 4.610 4.480 0.001 0.000 0.334 541 M C 0.231 176.587 176.300 0.093 0.000 1.150 541 M CA -0.572 54.764 55.300 0.059 0.000 1.118 541 M CB 0.594 33.190 32.600 -0.007 0.000 1.501 541 M HN 0.599 nan 8.290 nan 0.000 0.462 542 E N 3.060 123.286 120.200 0.042 0.000 2.708 542 E HA -0.041 4.309 4.350 0.001 0.000 0.260 542 E C -2.161 174.466 176.600 0.045 0.000 0.937 542 E CA -0.986 55.433 56.400 0.032 0.000 0.953 542 E CB 0.319 30.011 29.700 -0.014 0.000 0.915 542 E HN 0.207 nan 8.360 nan 0.000 0.487 543 P HA 0.079 nan 4.420 nan 0.000 0.266 543 P C 0.268 177.493 177.300 -0.125 0.000 1.215 543 P CA 0.960 64.082 63.100 0.037 0.000 0.763 543 P CB 0.832 32.527 31.700 -0.007 0.000 0.806 544 G N 2.565 111.296 108.800 -0.114 0.000 2.213 544 G HA2 -0.291 3.669 3.960 0.001 0.000 0.226 544 G HA3 -0.291 3.669 3.960 0.001 0.000 0.226 544 G C 0.720 175.572 174.900 -0.081 0.000 0.992 544 G CA 0.081 45.073 45.100 -0.180 0.000 0.632 544 G HN 0.505 nan 8.290 nan 0.000 0.511 545 L N 1.177 122.372 121.223 -0.046 0.000 2.187 545 L HA 0.130 4.471 4.340 0.001 0.000 0.213 545 L C 2.861 179.721 176.870 -0.017 0.000 1.100 545 L CA 2.463 57.283 54.840 -0.034 0.000 0.765 545 L CB -0.466 41.570 42.059 -0.039 0.000 0.904 545 L HN 0.507 nan 8.230 nan 0.000 0.437 546 V N -0.083 119.832 119.914 0.002 0.000 2.324 546 V HA -0.240 3.881 4.120 0.001 0.000 0.250 546 V C 1.639 177.627 176.094 -0.178 0.000 1.060 546 V CA 1.737 64.023 62.300 -0.022 0.000 1.042 546 V CB -0.200 31.688 31.823 0.109 0.000 0.650 546 V HN 0.506 nan 8.190 nan 0.000 0.450 547 L N -0.275 120.911 121.223 -0.062 0.000 3.608 547 L HA -0.230 4.110 4.340 0.001 0.000 0.422 547 L C 0.144 177.086 176.870 0.119 0.000 1.260 547 L CA 0.839 55.691 54.840 0.019 0.000 0.889 547 L CB -2.461 39.639 42.059 0.067 0.000 1.821 547 L HN 0.600 nan 8.230 nan 0.000 0.884 548 H N -0.557 118.615 119.070 0.171 0.000 2.507 548 H HA 0.303 4.860 4.556 0.001 0.000 0.281 548 H C 0.422 175.886 175.328 0.226 0.000 1.160 548 H CA -1.128 55.055 56.048 0.225 0.000 0.981 548 H CB 0.588 30.531 29.762 0.300 0.000 1.665 548 H HN 0.157 nan 8.280 nan 0.000 0.554 549 L N 2.260 123.620 121.223 0.228 0.000 2.660 549 L HA 0.093 4.433 4.340 0.001 0.000 0.272 549 L C 0.732 177.727 176.870 0.207 0.000 1.194 549 L CA 0.682 55.612 54.840 0.150 0.000 0.945 549 L CB -0.010 42.106 42.059 0.094 0.000 1.212 549 L HN 0.370 nan 8.230 nan 0.000 0.490 550 G N 2.274 111.219 108.800 0.242 0.000 2.600 550 G HA2 0.539 4.500 3.960 0.001 0.000 0.303 550 G HA3 0.539 4.500 3.960 0.001 0.000 0.303 550 G C 0.458 175.465 174.900 0.178 0.000 1.253 550 G CA -0.278 44.985 45.100 0.270 0.000 0.974 550 G HN 1.260 nan 8.290 nan 0.000 0.483 551 G N -0.951 107.920 108.800 0.119 0.000 2.184 551 G HA2 -0.271 3.690 3.960 0.001 0.000 0.264 551 G HA3 -0.271 3.690 3.960 0.001 0.000 0.264 551 G C 1.395 176.357 174.900 0.104 0.000 0.975 551 G CA 1.527 46.699 45.100 0.121 0.000 0.642 551 G HN 1.818 nan 8.290 nan 0.000 0.536 552 T N -1.825 112.747 114.554 0.030 0.000 2.962 552 T HA 0.079 4.429 4.350 0.001 0.000 0.270 552 T C 1.071 175.857 174.700 0.142 0.000 1.088 552 T CA 1.972 64.129 62.100 0.096 0.000 1.127 552 T CB -0.322 68.603 68.868 0.095 0.000 0.883 552 T HN 1.604 nan 8.240 nan 0.000 0.493 553 H N -0.275 118.868 119.070 0.121 0.000 2.695 553 H HA 0.458 5.015 4.556 0.001 0.000 0.222 553 H C -0.175 175.190 175.328 0.062 0.000 1.412 553 H CA -1.360 54.734 56.048 0.077 0.000 1.347 553 H CB -0.330 29.445 29.762 0.022 0.000 1.858 553 H HN 0.366 nan 8.280 nan 0.000 0.519 554 R N 0.898 121.485 120.500 0.144 0.000 2.641 554 R HA 0.327 4.668 4.340 0.001 0.000 0.269 554 R C -0.343 176.011 176.300 0.089 0.000 1.074 554 R CA -0.756 55.397 56.100 0.089 0.000 1.133 554 R CB 1.033 31.372 30.300 0.064 0.000 1.029 554 R HN 0.496 nan 8.270 nan 0.000 0.488 555 M N 1.513 121.140 119.600 0.045 0.000 2.249 555 M HA 0.442 4.922 4.480 0.001 0.000 0.351 555 M C -0.529 175.760 176.300 -0.018 0.000 1.180 555 M CA 0.267 55.568 55.300 0.001 0.000 1.127 555 M CB 1.524 34.104 32.600 -0.034 0.000 1.546 555 M HN 0.940 nan 8.290 nan 0.000 0.461 556 G N 2.272 111.072 108.800 -0.000 0.000 2.550 556 G HA2 0.426 4.386 3.960 0.001 0.000 0.293 556 G HA3 0.426 4.386 3.960 0.001 0.000 0.293 556 G C -0.960 173.954 174.900 0.024 0.000 1.402 556 G CA -0.676 44.393 45.100 -0.053 0.000 0.784 556 G HN 0.670 nan 8.290 nan 0.000 0.482 557 F N -0.089 119.962 119.950 0.168 0.000 2.270 557 F HA 0.267 4.796 4.527 0.003 0.000 0.295 557 F C 1.142 177.057 175.800 0.191 0.000 1.087 557 F CA 0.851 58.949 58.000 0.163 0.000 1.365 557 F CB 0.622 39.677 39.000 0.091 0.000 1.056 557 F HN 0.281 nan 8.300 nan 0.000 0.506 558 D N -0.296 120.255 120.400 0.252 0.000 2.696 558 D HA 0.055 4.696 4.640 0.001 0.000 0.251 558 D C 0.670 176.810 176.300 -0.268 0.000 1.188 558 D CA -0.055 53.932 54.000 -0.021 0.000 0.876 558 D CB 1.666 42.480 40.800 0.024 0.000 1.334 558 D HN 0.184 nan 8.370 nan 0.000 0.540 559 E N 3.299 122.998 120.200 -0.834 0.000 2.065 559 E HA -0.251 4.100 4.350 0.001 0.000 0.201 559 E C 1.375 177.819 176.600 -0.259 0.000 1.016 559 E CA 1.386 57.317 56.400 -0.782 0.000 0.818 559 E CB 0.367 29.535 29.700 -0.888 0.000 0.749 559 E HN 0.351 nan 8.360 nan 0.000 0.453 560 K N 0.060 120.346 120.400 -0.190 0.000 1.991 560 K HA -0.126 4.194 4.320 0.001 0.000 0.207 560 K C 2.140 178.717 176.600 -0.038 0.000 1.045 560 K CA 1.487 57.727 56.287 -0.077 0.000 0.937 560 K CB -0.068 32.398 32.500 -0.056 0.000 0.720 560 K HN 0.195 nan 8.250 nan 0.000 0.438 561 E N 0.507 120.687 120.200 -0.032 0.000 2.110 561 E HA -0.161 4.190 4.350 0.001 0.000 0.193 561 E C 0.786 177.392 176.600 0.011 0.000 0.988 561 E CA 1.081 57.484 56.400 0.004 0.000 0.804 561 E CB 0.058 29.771 29.700 0.023 0.000 0.745 561 E HN 0.323 nan 8.360 nan 0.000 0.458 562 D N 0.200 120.602 120.400 0.003 0.000 2.368 562 D HA 0.052 4.693 4.640 0.001 0.000 0.218 562 D C -0.653 175.601 176.300 -0.076 0.000 1.112 562 D CA -0.070 53.927 54.000 -0.005 0.000 0.834 562 D CB -0.016 40.814 40.800 0.050 0.000 0.953 562 D HN 0.078 nan 8.370 nan 0.000 0.505 563 N N 0.857 119.513 118.700 -0.073 0.000 2.650 563 N HA -0.199 4.542 4.740 0.001 0.000 0.272 563 N C -0.248 175.215 175.510 -0.078 0.000 1.058 563 N CA 0.577 53.574 53.050 -0.089 0.000 0.765 563 N CB -1.259 37.088 38.487 -0.233 0.000 0.902 563 N HN 0.433 nan 8.380 nan 0.000 0.551 564 C N -2.910 116.414 119.300 0.040 0.000 3.323 564 C HA 0.764 5.225 4.460 0.001 0.000 0.324 564 C C 1.205 176.376 174.990 0.302 0.000 1.428 564 C CA -0.680 58.424 59.018 0.142 0.000 1.368 564 C CB 1.515 29.350 27.740 0.158 0.000 1.731 564 C HN 0.524 nan 8.230 nan 0.000 0.455 565 C N 0.272 119.769 119.300 0.328 0.000 2.937 565 C HA 0.507 4.968 4.460 0.001 0.000 0.426 565 C C 0.708 175.774 174.990 0.126 0.000 1.321 565 C CA 0.700 59.901 59.018 0.305 0.000 2.082 565 C CB -0.224 27.624 27.740 0.180 0.000 2.834 565 C HN 1.003 nan 8.230 nan 0.000 0.593 566 V N 1.483 121.350 119.914 -0.078 0.000 3.001 566 V HA 0.734 4.854 4.120 0.001 0.000 0.314 566 V C -0.823 174.910 176.094 -0.602 0.000 1.099 566 V CA -0.576 61.450 62.300 -0.456 0.000 0.989 566 V CB 1.629 33.319 31.823 -0.223 0.000 1.040 566 V HN 0.423 nan 8.190 nan 0.000 0.434 567 N N 0.804 119.024 118.700 -0.800 0.000 2.476 567 N HA 0.295 5.036 4.740 0.001 0.000 0.287 567 N C 0.988 176.356 175.510 -0.237 0.000 1.262 567 N CA 0.178 52.957 53.050 -0.451 0.000 0.980 567 N CB 0.253 38.499 38.487 -0.401 0.000 1.163 567 N HN 0.936 nan 8.380 nan 0.000 0.592 568 T N -4.580 109.887 114.554 -0.145 0.000 3.118 568 T HA 0.020 4.371 4.350 0.001 0.000 0.260 568 T C 0.103 174.728 174.700 -0.124 0.000 1.139 568 T CA 0.587 62.604 62.100 -0.138 0.000 1.085 568 T CB -0.386 68.420 68.868 -0.102 0.000 0.934 568 T HN 0.428 nan 8.240 nan 0.000 0.518 569 D N 1.086 121.400 120.400 -0.143 0.000 2.328 569 D HA 0.178 4.818 4.640 0.001 0.000 0.221 569 D C 0.604 176.910 176.300 0.009 0.000 1.072 569 D CA 0.156 54.092 54.000 -0.108 0.000 0.850 569 D CB 0.090 40.701 40.800 -0.314 0.000 0.922 569 D HN 0.351 nan 8.370 nan 0.000 0.516 570 S N 0.126 115.796 115.700 -0.051 0.000 3.490 570 S HA -0.253 4.217 4.470 0.001 0.000 0.301 570 S C 0.558 175.129 174.600 -0.047 0.000 1.233 570 S CA 0.444 58.646 58.200 0.004 0.000 0.914 570 S CB -1.341 61.938 63.200 0.132 0.000 1.047 570 S HN 0.467 nan 8.310 nan 0.000 0.602 571 R N 1.127 121.470 120.500 -0.262 0.000 2.357 571 R HA 0.471 4.812 4.340 0.001 0.000 0.296 571 R C -0.005 175.978 176.300 -0.529 0.000 1.052 571 R CA -0.397 55.338 56.100 -0.608 0.000 0.988 571 R CB 0.657 30.559 30.300 -0.662 0.000 1.025 571 R HN 0.135 nan 8.270 nan 0.000 0.469 572 V N 5.894 125.541 119.914 -0.446 0.000 2.585 572 V HA 0.028 4.149 4.120 0.001 0.000 0.296 572 V C 0.126 176.159 176.094 -0.102 0.000 1.035 572 V CA 0.150 62.282 62.300 -0.280 0.000 1.084 572 V CB 0.052 31.706 31.823 -0.282 0.000 0.953 572 V HN 0.557 nan 8.190 nan 0.000 0.483 573 F N 3.658 123.648 119.950 0.067 0.000 2.608 573 F HA 0.418 4.946 4.527 0.002 0.000 0.380 573 F C 1.573 177.489 175.800 0.193 0.000 1.083 573 F CA 1.436 59.498 58.000 0.102 0.000 1.266 573 F CB 0.015 39.067 39.000 0.087 0.000 1.076 573 F HN 0.787 nan 8.300 nan 0.000 0.574 574 G N 2.161 111.126 108.800 0.276 0.000 2.284 574 G HA2 -0.305 3.655 3.960 0.001 0.000 0.247 574 G HA3 -0.305 3.655 3.960 0.001 0.000 0.247 574 G C -0.052 174.745 174.900 -0.171 0.000 1.012 574 G CA -0.426 44.702 45.100 0.046 0.000 0.618 574 G HN 0.438 nan 8.290 nan 0.000 0.521 575 F N 1.553 121.531 119.950 0.046 0.000 2.427 575 F HA 0.560 5.088 4.527 0.002 0.000 0.346 575 F C 1.530 177.323 175.800 -0.011 0.000 1.120 575 F CA -0.707 57.306 58.000 0.021 0.000 1.033 575 F CB 1.630 40.635 39.000 0.008 0.000 1.126 575 F HN -0.133 nan 8.300 nan 0.000 0.462 576 K N 1.473 121.973 120.400 0.166 0.000 2.148 576 K HA -0.101 4.220 4.320 0.001 0.000 0.204 576 K C 0.751 177.574 176.600 0.372 0.000 1.050 576 K CA 1.275 57.703 56.287 0.235 0.000 0.942 576 K CB 0.008 32.652 32.500 0.240 0.000 0.724 576 K HN 0.594 nan 8.250 nan 0.000 0.446 577 N N 0.153 119.045 118.700 0.319 0.000 2.305 577 N HA 0.035 4.776 4.740 0.001 0.000 0.248 577 N C -0.718 174.927 175.510 0.226 0.000 1.290 577 N CA -0.312 52.969 53.050 0.385 0.000 0.873 577 N CB 0.077 38.835 38.487 0.451 0.000 1.261 577 N HN -0.039 nan 8.380 nan 0.000 0.504 578 L N 0.639 121.800 121.223 -0.103 0.000 2.333 578 L HA 0.711 5.051 4.340 0.001 0.000 0.280 578 L C -1.724 174.836 176.870 -0.516 0.000 1.004 578 L CA -0.630 54.114 54.840 -0.159 0.000 0.820 578 L CB 0.816 42.736 42.059 -0.231 0.000 1.247 578 L HN -0.048 nan 8.230 nan 0.000 0.416 579 F N 4.736 124.604 119.950 -0.137 0.000 2.577 579 F HA 0.692 5.220 4.527 0.001 0.000 0.318 579 F C -0.573 175.078 175.800 -0.248 0.000 1.065 579 F CA -0.701 57.202 58.000 -0.163 0.000 0.929 579 F CB 1.854 40.790 39.000 -0.106 0.000 1.237 579 F HN 0.209 nan 8.300 nan 0.000 0.468 580 L N 1.414 122.602 121.223 -0.059 0.000 2.362 580 L HA 0.864 5.204 4.340 0.001 0.000 0.271 580 L C -0.070 176.801 176.870 0.002 0.000 1.002 580 L CA -0.832 53.900 54.840 -0.180 0.000 0.818 580 L CB 2.071 43.868 42.059 -0.437 0.000 1.298 580 L HN 0.780 nan 8.230 nan 0.000 0.420 581 G N 0.321 109.131 108.800 0.018 0.000 2.495 581 G HA2 0.774 4.734 3.960 0.001 0.000 0.318 581 G HA3 0.774 4.734 3.960 0.001 0.000 0.318 581 G C -0.416 174.598 174.900 0.190 0.000 1.257 581 G CA -0.161 45.045 45.100 0.176 0.000 0.962 581 G HN 0.975 nan 8.290 nan 0.000 0.483 582 G N -0.826 108.080 108.800 0.177 0.000 2.316 582 G HA2 -0.000 3.960 3.960 0.001 0.000 0.349 582 G HA3 -0.000 3.960 3.960 0.001 0.000 0.349 582 G C 0.861 175.803 174.900 0.070 0.000 1.274 582 G CA 0.110 45.283 45.100 0.123 0.000 1.018 582 G HN 1.119 nan 8.290 nan 0.000 0.486 583 C N 0.882 120.202 119.300 0.033 0.000 2.419 583 C HA 0.200 4.661 4.460 0.001 0.000 0.281 583 C C 3.099 178.060 174.990 -0.048 0.000 1.336 583 C CA 1.936 60.955 59.018 0.001 0.000 1.770 583 C CB -1.398 26.382 27.740 0.067 0.000 1.929 583 C HN 1.292 nan 8.230 nan 0.000 0.509 584 G N 1.153 109.826 108.800 -0.213 0.000 2.462 584 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 584 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 584 G C 1.407 175.973 174.900 -0.557 0.000 1.121 584 G CA 0.859 45.568 45.100 -0.651 0.000 0.758 584 G HN 0.556 nan 8.290 nan 0.000 0.559 585 N N 0.211 118.786 118.700 -0.209 0.000 2.396 585 N HA 0.033 4.774 4.740 0.001 0.000 0.180 585 N C 0.765 176.287 175.510 0.019 0.000 1.028 585 N CA 0.177 53.241 53.050 0.023 0.000 0.893 585 N CB 0.090 38.638 38.487 0.101 0.000 0.967 585 N HN 0.301 nan 8.380 nan 0.000 0.440 586 I N 2.899 123.479 120.570 0.016 0.000 2.379 586 I HA 0.067 4.238 4.170 0.001 0.000 0.290 586 I C -1.356 174.843 176.117 0.137 0.000 1.063 586 I CA -1.200 60.134 61.300 0.057 0.000 1.351 586 I CB 1.556 39.538 38.000 -0.030 0.000 1.410 586 I HN -0.079 nan 8.210 nan 0.000 0.505 587 P HA 0.060 nan 4.420 nan 0.000 0.261 587 P C 0.262 177.645 177.300 0.139 0.000 1.268 587 P CA 0.220 63.383 63.100 0.105 0.000 0.833 587 P CB 0.147 31.867 31.700 0.034 0.000 1.231 588 T N -2.136 112.534 114.554 0.194 0.000 2.884 588 T HA 0.681 5.032 4.350 0.001 0.000 0.277 588 T C 0.180 175.011 174.700 0.218 0.000 0.976 588 T CA -0.867 61.336 62.100 0.172 0.000 0.956 588 T CB 1.062 70.016 68.868 0.143 0.000 1.113 588 T HN 0.052 nan 8.240 nan 0.000 0.554 589 A N 1.576 124.466 122.820 0.117 0.000 2.269 589 A HA 0.623 4.944 4.320 0.001 0.000 0.302 589 A C -0.720 176.853 177.584 -0.020 0.000 1.266 589 A CA -0.885 51.177 52.037 0.040 0.000 0.894 589 A CB -0.740 18.299 19.000 0.064 0.000 1.147 589 A HN 0.892 nan 8.150 nan 0.000 0.537 590 Y N -0.176 120.064 120.300 -0.101 0.000 2.477 590 Y HA 0.697 5.248 4.550 0.001 0.000 0.347 590 Y C 0.711 176.530 175.900 -0.135 0.000 0.981 590 Y CA -0.635 57.243 58.100 -0.370 0.000 1.033 590 Y CB 1.389 39.462 38.460 -0.645 0.000 1.245 590 Y HN 0.419 nan 8.280 nan 0.000 0.455 591 G N 0.996 109.760 108.800 -0.059 0.000 2.576 591 G HA2 0.359 4.319 3.960 0.001 0.000 0.210 591 G HA3 0.359 4.319 3.960 0.001 0.000 0.210 591 G C 0.469 175.473 174.900 0.173 0.000 1.143 591 G CA 0.226 45.464 45.100 0.231 0.000 0.819 591 G HN 0.951 nan 8.290 nan 0.000 0.534 592 A N 0.609 123.359 122.820 -0.117 0.000 2.313 592 A HA 0.495 4.815 4.320 0.001 0.000 0.261 592 A C -0.154 177.339 177.584 -0.152 0.000 1.090 592 A CA -0.542 51.309 52.037 -0.310 0.000 0.807 592 A CB 0.088 18.869 19.000 -0.364 0.000 1.055 592 A HN 0.345 nan 8.150 nan 0.000 0.492 593 N N 1.849 120.310 118.700 -0.399 0.000 2.452 593 N HA 0.237 4.978 4.740 0.001 0.000 0.266 593 N C -2.030 173.345 175.510 -0.225 0.000 1.209 593 N CA -0.848 51.906 53.050 -0.493 0.000 0.929 593 N CB 0.562 38.841 38.487 -0.347 0.000 1.063 593 N HN 0.410 nan 8.380 nan 0.000 0.472 594 P HA -0.007 nan 4.420 nan 0.000 0.245 594 P C 0.465 177.638 177.300 -0.212 0.000 1.206 594 P CA 0.592 63.536 63.100 -0.260 0.000 0.781 594 P CB 0.323 31.808 31.700 -0.358 0.000 0.994 595 T N 0.936 115.443 114.554 -0.079 0.000 2.720 595 T HA -0.149 4.202 4.350 0.001 0.000 0.268 595 T C 1.757 176.526 174.700 0.116 0.000 1.037 595 T CA 1.070 63.191 62.100 0.036 0.000 1.144 595 T CB -0.792 68.129 68.868 0.088 0.000 0.864 595 T HN 0.044 nan 8.240 nan 0.000 0.444 596 L N 0.922 122.228 121.223 0.138 0.000 2.093 596 L HA -0.064 4.276 4.340 0.001 0.000 0.208 596 L C 2.525 179.469 176.870 0.125 0.000 1.085 596 L CA 1.635 56.617 54.840 0.236 0.000 0.755 596 L CB -0.929 41.265 42.059 0.226 0.000 0.904 596 L HN 0.179 nan 8.230 nan 0.000 0.435 597 T N -0.354 114.148 114.554 -0.087 0.000 2.746 597 T HA -0.145 4.205 4.350 0.001 0.000 0.267 597 T C 1.904 176.521 174.700 -0.138 0.000 1.039 597 T CA 1.237 63.196 62.100 -0.235 0.000 1.142 597 T CB -0.463 67.860 68.868 -0.909 0.000 0.866 597 T HN 0.517 nan 8.240 nan 0.000 0.444 598 A N 1.445 124.186 122.820 -0.132 0.000 1.902 598 A HA -0.038 4.283 4.320 0.001 0.000 0.217 598 A C 2.308 179.860 177.584 -0.053 0.000 1.181 598 A CA 1.716 53.712 52.037 -0.067 0.000 0.623 598 A CB -0.726 18.249 19.000 -0.041 0.000 0.818 598 A HN 0.511 nan 8.150 nan 0.000 0.443 599 M N -0.202 119.377 119.600 -0.034 0.000 2.117 599 M HA -0.156 4.325 4.480 0.001 0.000 0.262 599 M C 2.113 178.339 176.300 -0.124 0.000 1.065 599 M CA 2.090 57.347 55.300 -0.071 0.000 1.114 599 M CB -0.149 32.428 32.600 -0.038 0.000 1.361 599 M HN 0.389 nan 8.290 nan 0.000 0.408 600 S N 1.008 116.633 115.700 -0.125 0.000 2.368 600 S HA -0.113 4.357 4.470 0.001 0.000 0.225 600 S C 1.726 176.140 174.600 -0.309 0.000 1.030 600 S CA 1.328 59.383 58.200 -0.241 0.000 0.999 600 S CB -0.480 62.533 63.200 -0.312 0.000 0.844 600 S HN 0.510 nan 8.310 nan 0.000 0.459 601 L N 1.095 122.176 121.223 -0.236 0.000 2.093 601 L HA -0.079 4.261 4.340 0.001 0.000 0.208 601 L C 2.759 179.503 176.870 -0.210 0.000 1.085 601 L CA 1.041 55.745 54.840 -0.227 0.000 0.755 601 L CB -0.683 41.310 42.059 -0.109 0.000 0.904 601 L HN 0.312 nan 8.230 nan 0.000 0.435 602 A N 0.400 123.090 122.820 -0.217 0.000 1.933 602 A HA -0.170 4.151 4.320 0.001 0.000 0.218 602 A C 2.224 179.493 177.584 -0.525 0.000 1.175 602 A CA 1.473 53.262 52.037 -0.414 0.000 0.628 602 A CB -0.603 18.154 19.000 -0.406 0.000 0.814 602 A HN 0.348 nan 8.150 nan 0.000 0.444 603 I N -0.649 119.713 120.570 -0.347 0.000 2.179 603 I HA -0.259 3.912 4.170 0.001 0.000 0.242 603 I C 2.535 178.496 176.117 -0.260 0.000 1.088 603 I CA 1.812 62.941 61.300 -0.285 0.000 1.357 603 I CB -0.243 37.620 38.000 -0.227 0.000 1.051 603 I HN 0.338 nan 8.210 nan 0.000 0.409 604 K N 0.478 120.722 120.400 -0.261 0.000 2.063 604 K HA -0.238 4.083 4.320 0.001 0.000 0.208 604 K C 2.366 178.883 176.600 -0.138 0.000 1.048 604 K CA 1.884 58.046 56.287 -0.208 0.000 0.928 604 K CB -0.146 32.198 32.500 -0.260 0.000 0.713 604 K HN 0.161 nan 8.250 nan 0.000 0.442 605 S N -0.090 115.511 115.700 -0.165 0.000 2.382 605 S HA -0.157 4.313 4.470 0.001 0.000 0.228 605 S C 2.065 176.585 174.600 -0.134 0.000 1.027 605 S CA 1.402 59.558 58.200 -0.074 0.000 0.991 605 S CB -0.414 62.778 63.200 -0.013 0.000 0.823 605 S HN 0.543 nan 8.310 nan 0.000 0.469 606 C N 1.400 120.533 119.300 -0.279 0.000 2.425 606 C HA 0.020 4.481 4.460 0.001 0.000 0.277 606 C C 2.547 177.456 174.990 -0.135 0.000 1.280 606 C CA 0.788 59.648 59.018 -0.263 0.000 1.744 606 C CB -1.397 26.145 27.740 -0.331 0.000 1.989 606 C HN 0.686 nan 8.230 nan 0.000 0.491 607 E N -0.711 119.435 120.200 -0.089 0.000 2.110 607 E HA -0.246 4.105 4.350 0.001 0.000 0.193 607 E C 1.820 178.430 176.600 0.017 0.000 0.988 607 E CA 1.409 57.787 56.400 -0.037 0.000 0.804 607 E CB -0.303 29.372 29.700 -0.042 0.000 0.745 607 E HN 0.830 nan 8.360 nan 0.000 0.458 608 Y N 1.229 121.502 120.300 -0.045 0.000 2.145 608 Y HA -0.242 4.308 4.550 0.001 0.000 0.286 608 Y C 2.005 177.947 175.900 0.070 0.000 1.145 608 Y CA 1.591 59.710 58.100 0.031 0.000 1.148 608 Y CB -0.100 38.416 38.460 0.093 0.000 0.981 608 Y HN -0.061 nan 8.280 nan 0.000 0.507 609 I N 0.417 121.020 120.570 0.054 0.000 2.179 609 I HA -0.337 3.834 4.170 0.001 0.000 0.242 609 I C 2.293 178.448 176.117 0.062 0.000 1.088 609 I CA 1.686 63.004 61.300 0.031 0.000 1.357 609 I CB -0.396 37.420 38.000 -0.306 0.000 1.051 609 I HN 0.186 nan 8.210 nan 0.000 0.409 610 K N 0.315 120.714 120.400 -0.002 0.000 2.147 610 K HA -0.220 4.101 4.320 0.001 0.000 0.205 610 K C 2.044 178.687 176.600 0.072 0.000 1.049 610 K CA 1.293 57.647 56.287 0.110 0.000 0.936 610 K CB -0.196 32.355 32.500 0.084 0.000 0.722 610 K HN 0.436 nan 8.250 nan 0.000 0.446 611 Q N -0.012 119.762 119.800 -0.043 0.000 2.378 611 Q HA 0.032 4.373 4.340 0.001 0.000 0.205 611 Q C 1.037 176.931 176.000 -0.176 0.000 0.954 611 Q CA 0.662 56.404 55.803 -0.103 0.000 0.901 611 Q CB 0.346 29.002 28.738 -0.137 0.000 0.981 611 Q HN 0.294 nan 8.270 nan 0.000 0.483 612 N N -1.167 117.394 118.700 -0.231 0.000 2.159 612 N HA 0.152 4.892 4.740 0.001 0.000 0.217 612 N C -0.997 174.174 175.510 -0.565 0.000 1.223 612 N CA 0.208 53.000 53.050 -0.431 0.000 0.896 612 N CB 1.036 39.105 38.487 -0.697 0.000 1.064 612 N HN 0.005 nan 8.380 nan 0.000 0.518 613 F N 0.409 120.374 119.950 0.024 0.000 2.578 613 F HA 0.329 4.857 4.527 0.001 0.000 0.311 613 F C 0.024 175.948 175.800 0.206 0.000 1.094 613 F CA -0.682 57.392 58.000 0.123 0.000 0.923 613 F CB 1.910 40.995 39.000 0.142 0.000 1.230 613 F HN -0.362 nan 8.300 nan 0.000 0.450 614 T N 3.560 118.286 114.554 0.286 0.000 2.795 614 T HA 0.445 4.795 4.350 0.001 0.000 0.282 614 T C -2.605 172.090 174.700 -0.008 0.000 0.980 614 T CA -1.498 60.654 62.100 0.088 0.000 1.012 614 T CB 1.293 70.178 68.868 0.028 0.000 0.936 614 T HN 0.122 nan 8.240 nan 0.000 0.457 615 P HA 0.172 nan 4.420 nan 0.000 0.269 615 P C -0.013 177.191 177.300 -0.160 0.000 1.209 615 P CA -0.488 62.320 63.100 -0.487 0.000 0.776 615 P CB 0.328 31.580 31.700 -0.747 0.000 0.876 616 S N 2.641 118.294 115.700 -0.077 0.000 2.584 616 S HA 0.311 4.782 4.470 0.001 0.000 0.270 616 S C -2.259 172.320 174.600 -0.035 0.000 1.346 616 S CA -0.991 57.187 58.200 -0.037 0.000 1.018 616 S CB -0.853 62.332 63.200 -0.026 0.000 0.899 616 S HN 0.254 nan 8.310 nan 0.000 0.542 617 P HA 0.166 nan 4.420 nan 0.000 0.271 617 P C -0.724 176.639 177.300 0.105 0.000 1.216 617 P CA -0.390 62.736 63.100 0.044 0.000 0.771 617 P CB 0.061 31.784 31.700 0.038 0.000 0.864 618 F N 3.769 123.700 119.950 -0.032 0.000 2.651 618 F HA 0.179 4.707 4.527 0.001 0.000 0.347 618 F C 0.717 176.507 175.800 -0.018 0.000 1.284 618 F CA -0.000 57.987 58.000 -0.021 0.000 1.175 618 F CB -1.001 37.988 39.000 -0.018 0.000 1.542 618 F HN 0.131 nan 8.300 nan 0.000 0.661 619 T N 0.000 114.761 114.554 0.345 0.000 3.816 619 T HA 0.000 4.351 4.350 0.001 0.000 0.228 619 T CA 0.000 62.222 62.100 0.204 0.000 1.349 619 T CB 0.000 68.923 68.868 0.092 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658