REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2igm_1_C DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLNLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.265 176.300 -0.058 0.000 1.140 43 M CA 0.000 55.308 55.300 0.013 0.000 0.988 43 M CB 0.000 32.465 32.600 -0.226 0.000 1.302 44 D N 2.696 123.082 120.400 -0.024 0.000 2.419 44 D HA 0.192 4.832 4.640 0.001 0.000 0.236 44 D C 1.287 177.496 176.300 -0.152 0.000 1.165 44 D CA 0.093 53.984 54.000 -0.181 0.000 0.882 44 D CB 1.011 41.529 40.800 -0.469 0.000 1.201 44 D HN 0.768 nan 8.370 nan 0.000 0.443 45 I N -1.976 118.509 120.570 -0.141 0.000 3.226 45 I HA 0.054 4.225 4.170 0.001 0.000 0.277 45 I C 0.793 176.872 176.117 -0.063 0.000 1.243 45 I CA 0.310 61.576 61.300 -0.056 0.000 1.459 45 I CB -0.122 37.874 38.000 -0.007 0.000 1.093 45 I HN -0.037 nan 8.210 nan 0.000 0.453 46 K N 1.133 121.368 120.400 -0.275 0.000 2.463 46 K HA 0.517 4.837 4.320 0.001 0.000 0.255 46 K C -1.731 174.536 176.600 -0.555 0.000 0.942 46 K CA -0.492 55.648 56.287 -0.246 0.000 0.814 46 K CB 1.095 33.514 32.500 -0.136 0.000 1.122 46 K HN 0.024 nan 8.250 nan 0.000 0.425 47 Y N 1.246 121.533 120.300 -0.022 0.000 2.602 47 Y HA 0.253 4.803 4.550 0.001 0.000 0.342 47 Y C 0.781 176.656 175.900 -0.042 0.000 1.029 47 Y CA -0.768 57.312 58.100 -0.033 0.000 1.080 47 Y CB 1.825 40.265 38.460 -0.033 0.000 1.284 47 Y HN 0.610 nan 8.280 nan 0.000 0.485 48 D N 0.255 120.735 120.400 0.133 0.000 2.097 48 D HA -0.014 4.626 4.640 0.001 0.000 0.197 48 D C -0.261 176.041 176.300 0.004 0.000 0.984 48 D CA 1.543 55.610 54.000 0.113 0.000 0.826 48 D CB 0.181 41.116 40.800 0.225 0.000 0.973 48 D HN 0.114 nan 8.370 nan 0.000 0.460 49 V N 0.975 120.882 119.914 -0.012 0.000 2.638 49 V HA 0.359 4.480 4.120 0.001 0.000 0.306 49 V C -0.358 175.649 176.094 -0.146 0.000 1.052 49 V CA -1.050 61.150 62.300 -0.167 0.000 0.885 49 V CB 2.490 34.190 31.823 -0.205 0.000 0.999 49 V HN -0.006 nan 8.190 nan 0.000 0.424 50 V N 3.117 122.898 119.914 -0.222 0.000 2.495 50 V HA 0.740 4.860 4.120 0.001 0.000 0.298 50 V C -0.616 175.428 176.094 -0.083 0.000 1.031 50 V CA -0.566 61.670 62.300 -0.106 0.000 0.871 50 V CB 1.566 33.380 31.823 -0.015 0.000 0.988 50 V HN 0.682 nan 8.190 nan 0.000 0.432 51 I N 4.763 125.314 120.570 -0.031 0.000 2.362 51 I HA 0.455 4.626 4.170 0.001 0.000 0.289 51 I C -0.365 175.783 176.117 0.052 0.000 0.994 51 I CA -0.868 60.398 61.300 -0.058 0.000 1.158 51 I CB 2.090 40.044 38.000 -0.077 0.000 1.315 51 I HN 0.443 nan 8.210 nan 0.000 0.451 52 V N 5.913 125.835 119.914 0.013 0.000 2.368 52 V HA 0.745 4.866 4.120 0.001 0.000 0.266 52 V C 0.533 176.634 176.094 0.012 0.000 1.045 52 V CA -0.207 62.119 62.300 0.043 0.000 0.899 52 V CB 0.420 32.239 31.823 -0.005 0.000 1.006 52 V HN 1.063 nan 8.190 nan 0.000 0.470 53 G N 4.021 112.845 108.800 0.041 0.000 3.067 53 G HA2 -0.040 3.920 3.960 0.001 0.000 0.686 53 G HA3 -0.040 3.920 3.960 0.001 0.000 0.686 53 G C -0.011 174.909 174.900 0.033 0.000 1.119 53 G CA -0.253 44.864 45.100 0.027 0.000 0.790 53 G HN 1.264 nan 8.290 nan 0.000 0.605 54 S N 1.095 116.817 115.700 0.037 0.000 2.601 54 S HA 0.590 5.061 4.470 0.001 0.000 0.244 54 S C 1.390 176.005 174.600 0.025 0.000 1.001 54 S CA 0.731 58.959 58.200 0.047 0.000 0.984 54 S CB 0.613 63.852 63.200 0.065 0.000 0.842 54 S HN 1.956 nan 8.310 nan 0.000 0.474 55 G N 2.857 111.660 108.800 0.006 0.000 2.647 55 G HA2 0.326 4.286 3.960 0.001 0.000 0.271 55 G HA3 0.326 4.286 3.960 0.001 0.000 0.271 55 G C -1.095 173.785 174.900 -0.033 0.000 1.300 55 G CA -1.034 44.050 45.100 -0.027 0.000 0.997 55 G HN 0.267 nan 8.290 nan 0.000 0.533 56 P HA -0.051 nan 4.420 nan 0.000 0.223 56 P C 1.707 178.958 177.300 -0.082 0.000 1.151 56 P CA 0.681 63.734 63.100 -0.078 0.000 0.787 56 P CB 0.191 31.860 31.700 -0.052 0.000 0.788 57 I N 0.107 120.660 120.570 -0.028 0.000 2.333 57 I HA -0.022 4.148 4.170 0.001 0.000 0.246 57 I C 2.683 178.865 176.117 0.108 0.000 1.106 57 I CA 1.459 62.775 61.300 0.027 0.000 1.411 57 I CB -2.221 35.817 38.000 0.064 0.000 1.082 57 I HN -0.004 nan 8.210 nan 0.000 0.420 58 G N 0.317 109.159 108.800 0.070 0.000 2.442 58 G HA2 -0.251 3.709 3.960 0.001 0.000 0.219 58 G HA3 -0.251 3.709 3.960 0.001 0.000 0.219 58 G C 1.749 176.662 174.900 0.022 0.000 1.141 58 G CA 1.076 46.211 45.100 0.057 0.000 0.763 58 G HN 0.412 nan 8.290 nan 0.000 0.554 59 C N 0.486 119.774 119.300 -0.021 0.000 2.446 59 C HA 0.069 4.530 4.460 0.001 0.000 0.279 59 C C 3.167 178.049 174.990 -0.181 0.000 1.366 59 C CA 1.260 60.230 59.018 -0.081 0.000 1.763 59 C CB -0.885 26.852 27.740 -0.006 0.000 1.929 59 C HN 0.447 nan 8.230 nan 0.000 0.509 60 T N 0.142 114.611 114.554 -0.142 0.000 2.737 60 T HA -0.157 4.193 4.350 0.001 0.000 0.265 60 T C 1.470 176.027 174.700 -0.240 0.000 1.038 60 T CA 1.600 63.587 62.100 -0.188 0.000 1.144 60 T CB -0.431 68.340 68.868 -0.162 0.000 0.866 60 T HN 0.540 nan 8.240 nan 0.000 0.434 61 Y N 1.546 121.721 120.300 -0.208 0.000 2.165 61 Y HA -0.105 4.445 4.550 0.001 0.000 0.286 61 Y C 2.748 178.445 175.900 -0.338 0.000 1.155 61 Y CA 1.051 59.005 58.100 -0.244 0.000 1.164 61 Y CB -0.672 37.661 38.460 -0.211 0.000 0.978 61 Y HN 0.207 nan 8.280 nan 0.000 0.513 62 A N -0.044 122.604 122.820 -0.286 0.000 1.873 62 A HA -0.189 4.131 4.320 0.001 0.000 0.215 62 A C 2.304 179.316 177.584 -0.953 0.000 1.186 62 A CA 1.612 53.252 52.037 -0.663 0.000 0.616 62 A CB -0.686 17.759 19.000 -0.925 0.000 0.823 62 A HN 0.403 nan 8.150 nan 0.000 0.442 63 R N -0.314 119.696 120.500 -0.815 0.000 2.080 63 R HA -0.161 4.179 4.340 0.001 0.000 0.236 63 R C 2.048 178.141 176.300 -0.346 0.000 1.137 63 R CA 1.765 57.521 56.100 -0.572 0.000 0.943 63 R CB -0.281 29.736 30.300 -0.473 0.000 0.846 63 R HN 0.561 nan 8.270 nan 0.000 0.431 64 E N 0.516 120.550 120.200 -0.276 0.000 2.031 64 E HA -0.198 4.153 4.350 0.001 0.000 0.193 64 E C 2.147 178.676 176.600 -0.119 0.000 0.994 64 E CA 1.349 57.656 56.400 -0.155 0.000 0.800 64 E CB -0.156 29.446 29.700 -0.164 0.000 0.752 64 E HN 0.421 nan 8.360 nan 0.000 0.447 65 L N 0.387 121.510 121.223 -0.167 0.000 2.209 65 L HA -0.065 4.275 4.340 0.001 0.000 0.207 65 L C 2.555 179.452 176.870 0.045 0.000 1.094 65 L CA 0.263 55.050 54.840 -0.089 0.000 0.790 65 L CB -0.265 41.638 42.059 -0.261 0.000 0.932 65 L HN -0.048 nan 8.230 nan 0.000 0.447 66 V N 0.540 120.388 119.914 -0.111 0.000 2.343 66 V HA -0.190 3.931 4.120 0.001 0.000 0.247 66 V C 2.608 178.713 176.094 0.017 0.000 1.051 66 V CA 2.074 64.345 62.300 -0.048 0.000 1.036 66 V CB -1.153 30.554 31.823 -0.192 0.000 0.654 66 V HN 0.558 nan 8.190 nan 0.000 0.451 67 G N -0.617 108.169 108.800 -0.022 0.000 2.443 67 G HA2 -0.092 3.868 3.960 0.001 0.000 0.219 67 G HA3 -0.092 3.868 3.960 0.001 0.000 0.219 67 G C 1.452 176.376 174.900 0.041 0.000 1.131 67 G CA 0.793 45.901 45.100 0.013 0.000 0.775 67 G HN 0.625 nan 8.290 nan 0.000 0.547 68 A N -0.438 122.431 122.820 0.081 0.000 2.251 68 A HA 0.492 4.812 4.320 0.001 0.000 0.209 68 A C 1.873 179.473 177.584 0.026 0.000 1.187 68 A CA 1.180 53.280 52.037 0.105 0.000 0.823 68 A CB -0.351 18.790 19.000 0.234 0.000 0.846 68 A HN 1.513 nan 8.150 nan 0.000 0.486 69 G N -2.144 106.677 108.800 0.035 0.000 2.131 69 G HA2 -0.258 3.702 3.960 0.001 0.000 0.223 69 G HA3 -0.258 3.702 3.960 0.001 0.000 0.223 69 G C -0.115 174.712 174.900 -0.122 0.000 0.990 69 G CA 0.093 45.167 45.100 -0.043 0.000 0.671 69 G HN 0.393 nan 8.290 nan 0.000 0.521 70 Y N 0.258 120.550 120.300 -0.014 0.000 2.304 70 Y HA 0.465 5.015 4.550 0.001 0.000 0.327 70 Y C 1.107 176.992 175.900 -0.023 0.000 1.209 70 Y CA -0.262 57.827 58.100 -0.019 0.000 1.299 70 Y CB 0.816 39.258 38.460 -0.030 0.000 1.249 70 Y HN 0.044 nan 8.280 nan 0.000 0.519 71 K N 2.859 123.330 120.400 0.118 0.000 2.262 71 K HA 0.354 4.674 4.320 0.001 0.000 0.288 71 K C -1.488 175.214 176.600 0.170 0.000 1.090 71 K CA -0.107 56.232 56.287 0.086 0.000 0.918 71 K CB -0.058 32.458 32.500 0.027 0.000 1.139 71 K HN 0.477 nan 8.250 nan 0.000 0.462 72 V N 3.262 123.256 119.914 0.132 0.000 2.435 72 V HA 0.532 4.652 4.120 0.001 0.000 0.290 72 V C -0.151 175.832 176.094 -0.185 0.000 1.030 72 V CA -0.918 61.411 62.300 0.047 0.000 0.881 72 V CB 1.393 33.289 31.823 0.122 0.000 0.983 72 V HN 0.845 nan 8.190 nan 0.000 0.445 73 A N 5.896 128.446 122.820 -0.449 0.000 2.337 73 A HA 0.930 5.250 4.320 0.001 0.000 0.329 73 A C -0.622 176.627 177.584 -0.558 0.000 1.146 73 A CA -0.624 50.928 52.037 -0.809 0.000 0.800 73 A CB 1.507 19.658 19.000 -1.415 0.000 1.220 73 A HN 0.918 nan 8.150 nan 0.000 0.472 74 M N 2.502 121.693 119.600 -0.682 0.000 2.326 74 M HA 0.737 5.217 4.480 0.001 0.000 0.306 74 M C -2.174 173.818 176.300 -0.514 0.000 1.054 74 M CA -0.409 54.687 55.300 -0.339 0.000 0.922 74 M CB 1.143 33.727 32.600 -0.026 0.000 1.632 74 M HN 0.596 nan 8.290 nan 0.000 0.436 75 F N 2.206 122.144 119.950 -0.020 0.000 2.508 75 F HA 0.582 5.110 4.527 0.001 0.000 0.325 75 F C -0.146 175.647 175.800 -0.011 0.000 1.090 75 F CA -0.473 57.531 58.000 0.006 0.000 0.945 75 F CB 1.520 40.500 39.000 -0.034 0.000 1.156 75 F HN 0.462 nan 8.300 nan 0.000 0.463 76 D N 2.553 123.040 120.400 0.146 0.000 2.896 76 D HA 0.220 4.861 4.640 0.001 0.000 0.241 76 D C 0.504 176.824 176.300 0.033 0.000 1.188 76 D CA -0.339 53.699 54.000 0.063 0.000 0.879 76 D CB 2.449 43.271 40.800 0.037 0.000 1.553 76 D HN 0.639 nan 8.370 nan 0.000 0.515 77 I N 2.002 122.545 120.570 -0.045 0.000 2.454 77 I HA -0.004 4.166 4.170 0.001 0.000 0.254 77 I C 1.159 177.230 176.117 -0.078 0.000 1.156 77 I CA 0.896 62.121 61.300 -0.126 0.000 1.433 77 I CB 0.164 37.968 38.000 -0.326 0.000 1.082 77 I HN 0.343 nan 8.210 nan 0.000 0.432 78 G N -0.103 108.673 108.800 -0.039 0.000 2.537 78 G HA2 0.387 4.347 3.960 0.001 0.000 0.297 78 G HA3 0.387 4.347 3.960 0.001 0.000 0.297 78 G C -0.861 174.054 174.900 0.026 0.000 1.310 78 G CA -0.415 44.689 45.100 0.007 0.000 1.027 78 G HN 0.295 nan 8.290 nan 0.000 0.505 79 E N -1.351 118.870 120.200 0.036 0.000 2.320 79 E HA 0.357 4.708 4.350 0.001 0.000 0.264 79 E C -0.497 176.125 176.600 0.037 0.000 0.923 79 E CA -0.742 55.681 56.400 0.037 0.000 0.796 79 E CB 2.567 32.292 29.700 0.042 0.000 1.262 79 E HN 0.274 nan 8.360 nan 0.000 0.428 80 I N 2.592 123.181 120.570 0.031 0.000 2.517 80 I HA 0.012 4.182 4.170 0.001 0.000 0.285 80 I C -0.208 175.935 176.117 0.043 0.000 1.106 80 I CA 0.644 61.964 61.300 0.033 0.000 1.402 80 I CB 0.104 38.117 38.000 0.021 0.000 1.399 80 I HN 0.520 nan 8.210 nan 0.000 0.535 81 D N 2.747 123.179 120.400 0.054 0.000 3.629 81 D HA 0.029 4.670 4.640 0.001 0.000 0.306 81 D C -0.224 176.130 176.300 0.089 0.000 1.431 81 D CA -0.344 53.696 54.000 0.066 0.000 0.748 81 D CB -0.158 40.681 40.800 0.064 0.000 1.315 81 D HN 0.234 nan 8.370 nan 0.000 0.667 82 S N -0.301 115.454 115.700 0.091 0.000 2.749 82 S HA 0.646 5.116 4.470 0.001 0.000 0.246 82 S C 0.880 175.550 174.600 0.116 0.000 1.023 82 S CA 0.070 58.342 58.200 0.120 0.000 1.012 82 S CB 0.940 64.210 63.200 0.117 0.000 0.942 82 S HN 0.928 nan 8.310 nan 0.000 0.531 83 G N 1.486 110.342 108.800 0.092 0.000 2.545 83 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 83 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 83 G C 0.294 175.228 174.900 0.056 0.000 1.314 83 G CA -0.269 44.878 45.100 0.079 0.000 0.906 83 G HN 0.247 nan 8.290 nan 0.000 0.563 84 L N 0.400 121.651 121.223 0.047 0.000 2.217 84 L HA 0.095 4.436 4.340 0.001 0.000 0.211 84 L C 1.510 178.391 176.870 0.019 0.000 1.107 84 L CA 1.059 55.915 54.840 0.026 0.000 0.783 84 L CB -0.370 41.701 42.059 0.019 0.000 0.919 84 L HN 0.345 nan 8.230 nan 0.000 0.442 85 K N 1.838 122.259 120.400 0.035 0.000 2.262 85 K HA 0.284 4.605 4.320 0.001 0.000 0.288 85 K C -0.323 176.297 176.600 0.035 0.000 1.090 85 K CA -0.121 56.183 56.287 0.029 0.000 0.918 85 K CB 0.611 33.142 32.500 0.053 0.000 1.139 85 K HN 0.112 nan 8.250 nan 0.000 0.462 86 I N 1.816 122.389 120.570 0.005 0.000 2.556 86 I HA -0.027 4.143 4.170 0.001 0.000 0.284 86 I C 1.369 177.500 176.117 0.023 0.000 1.114 86 I CA 0.620 61.927 61.300 0.012 0.000 1.418 86 I CB 0.577 38.574 38.000 -0.006 0.000 1.394 86 I HN 0.933 nan 8.210 nan 0.000 0.552 87 G N 4.324 113.150 108.800 0.044 0.000 2.168 87 G HA2 -0.228 3.733 3.960 0.001 0.000 0.257 87 G HA3 -0.228 3.733 3.960 0.001 0.000 0.257 87 G C 0.361 175.310 174.900 0.081 0.000 0.997 87 G CA 0.156 45.288 45.100 0.053 0.000 0.708 87 G HN 0.967 nan 8.290 nan 0.000 0.520 88 A N -0.462 122.422 122.820 0.106 0.000 2.296 88 A HA 0.603 4.924 4.320 0.001 0.000 0.264 88 A C 0.596 178.306 177.584 0.211 0.000 1.097 88 A CA -0.271 51.866 52.037 0.167 0.000 0.811 88 A CB 0.274 19.373 19.000 0.164 0.000 1.072 88 A HN 0.613 nan 8.150 nan 0.000 0.495 89 H N 0.355 119.558 119.070 0.221 0.000 2.848 89 H HA 0.133 4.689 4.556 0.001 0.000 0.317 89 H C 0.681 176.138 175.328 0.215 0.000 1.046 89 H CA 0.608 56.802 56.048 0.244 0.000 1.470 89 H CB 0.886 30.811 29.762 0.272 0.000 1.483 89 H HN 0.680 nan 8.280 nan 0.000 0.548 90 K N 3.225 123.821 120.400 0.327 0.000 2.365 90 K HA -0.082 4.238 4.320 0.001 0.000 0.199 90 K C 1.651 178.501 176.600 0.417 0.000 1.045 90 K CA 0.785 57.322 56.287 0.418 0.000 0.962 90 K CB 0.296 33.066 32.500 0.451 0.000 0.759 90 K HN 0.541 nan 8.250 nan 0.000 0.469 91 K N 0.150 120.639 120.400 0.147 0.000 2.444 91 K HA 0.042 4.362 4.320 0.001 0.000 0.193 91 K C 0.259 176.867 176.600 0.013 0.000 1.024 91 K CA 0.442 56.521 56.287 -0.346 0.000 1.077 91 K CB 0.201 31.883 32.500 -1.364 0.000 0.833 91 K HN -0.093 nan 8.250 nan 0.000 0.517 92 N N 2.510 121.321 118.700 0.184 0.000 2.389 92 N HA -0.008 4.733 4.740 0.001 0.000 0.237 92 N C -0.488 175.232 175.510 0.350 0.000 1.148 92 N CA 0.314 53.481 53.050 0.194 0.000 0.854 92 N CB 0.742 39.413 38.487 0.305 0.000 1.115 92 N HN 0.424 nan 8.380 nan 0.000 0.492 93 T N -3.903 110.843 114.554 0.319 0.000 2.928 93 T HA 0.307 4.658 4.350 0.001 0.000 0.284 93 T C 1.629 176.503 174.700 0.290 0.000 1.008 93 T CA -0.739 61.538 62.100 0.295 0.000 1.057 93 T CB 1.680 70.677 68.868 0.214 0.000 1.018 93 T HN -0.196 nan 8.240 nan 0.000 0.493 94 V N 1.330 121.409 119.914 0.275 0.000 2.392 94 V HA -0.119 4.001 4.120 0.001 0.000 0.249 94 V C 2.899 179.068 176.094 0.124 0.000 1.059 94 V CA 1.753 64.204 62.300 0.252 0.000 1.051 94 V CB -0.822 31.096 31.823 0.159 0.000 0.658 94 V HN 0.880 nan 8.190 nan 0.000 0.455 95 E N -0.482 119.733 120.200 0.025 0.000 2.077 95 E HA -0.196 4.155 4.350 0.001 0.000 0.193 95 E C 2.120 178.668 176.600 -0.085 0.000 0.989 95 E CA 1.546 57.892 56.400 -0.089 0.000 0.800 95 E CB -0.261 29.288 29.700 -0.251 0.000 0.746 95 E HN 0.741 nan 8.360 nan 0.000 0.452 96 Y N 1.005 121.371 120.300 0.110 0.000 2.395 96 Y HA -0.041 4.510 4.550 0.001 0.000 0.293 96 Y C 2.389 178.306 175.900 0.029 0.000 1.123 96 Y CA 0.641 58.796 58.100 0.093 0.000 1.227 96 Y CB -0.100 38.425 38.460 0.109 0.000 1.012 96 Y HN 0.036 nan 8.280 nan 0.000 0.552 97 Q N 0.297 120.175 119.800 0.130 0.000 2.224 97 Q HA -0.124 4.216 4.340 0.001 0.000 0.203 97 Q C 1.588 177.640 176.000 0.086 0.000 0.970 97 Q CA 1.136 56.962 55.803 0.039 0.000 0.865 97 Q CB -0.098 28.599 28.738 -0.069 0.000 0.922 97 Q HN 0.485 nan 8.270 nan 0.000 0.445 98 K N 0.166 120.626 120.400 0.099 0.000 2.379 98 K HA 0.091 4.411 4.320 0.001 0.000 0.194 98 K C 0.340 176.993 176.600 0.087 0.000 1.031 98 K CA 0.178 56.514 56.287 0.082 0.000 1.037 98 K CB 0.547 33.085 32.500 0.063 0.000 0.824 98 K HN 0.075 nan 8.250 nan 0.000 0.516 99 N N 1.323 120.098 118.700 0.125 0.000 2.687 99 N HA 0.035 4.776 4.740 0.001 0.000 0.275 99 N C 0.279 175.932 175.510 0.240 0.000 1.789 99 N CA 0.040 53.182 53.050 0.153 0.000 0.806 99 N CB 1.009 39.575 38.487 0.131 0.000 1.256 99 N HN 0.022 nan 8.380 nan 0.000 0.500 100 I N 0.810 121.497 120.570 0.194 0.000 2.208 100 I HA -0.237 3.934 4.170 0.001 0.000 0.245 100 I C 0.943 177.190 176.117 0.216 0.000 1.097 100 I CA 1.876 63.289 61.300 0.189 0.000 1.363 100 I CB 0.166 38.242 38.000 0.127 0.000 1.051 100 I HN 0.153 nan 8.210 nan 0.000 0.413 101 D N 0.832 121.354 120.400 0.204 0.000 2.264 101 D HA -0.132 4.508 4.640 0.001 0.000 0.208 101 D C 2.002 178.394 176.300 0.154 0.000 0.966 101 D CA 0.529 54.642 54.000 0.188 0.000 0.864 101 D CB -0.060 40.881 40.800 0.235 0.000 0.933 101 D HN 0.305 nan 8.370 nan 0.000 0.499 102 K N 0.186 120.713 120.400 0.212 0.000 2.280 102 K HA -0.098 4.222 4.320 0.001 0.000 0.202 102 K C 1.758 178.449 176.600 0.153 0.000 1.047 102 K CA 0.048 56.463 56.287 0.213 0.000 0.942 102 K CB -0.482 32.210 32.500 0.320 0.000 0.739 102 K HN 0.212 nan 8.250 nan 0.000 0.457 103 F N 1.529 121.449 119.950 -0.049 0.000 2.269 103 F HA -0.190 4.337 4.527 0.001 0.000 0.301 103 F C 1.824 177.497 175.800 -0.212 0.000 1.082 103 F CA 0.705 58.504 58.000 -0.336 0.000 1.360 103 F CB -0.096 38.686 39.000 -0.364 0.000 1.041 103 F HN -0.277 nan 8.300 nan 0.000 0.512 104 V N 0.152 119.971 119.914 -0.160 0.000 2.568 104 V HA -0.341 3.779 4.120 0.001 0.000 0.253 104 V C 1.765 177.671 176.094 -0.314 0.000 1.072 104 V CA 2.239 64.398 62.300 -0.236 0.000 1.084 104 V CB -1.095 30.610 31.823 -0.196 0.000 0.676 104 V HN 0.381 nan 8.190 nan 0.000 0.469 105 N N -0.044 118.495 118.700 -0.269 0.000 2.216 105 N HA -0.102 4.639 4.740 0.001 0.000 0.183 105 N C 1.688 177.017 175.510 -0.301 0.000 1.017 105 N CA 1.089 54.006 53.050 -0.221 0.000 0.861 105 N CB -0.187 38.235 38.487 -0.108 0.000 0.986 105 N HN 0.325 nan 8.380 nan 0.000 0.428 106 V N 1.385 121.000 119.914 -0.499 0.000 2.295 106 V HA -0.205 3.915 4.120 0.001 0.000 0.246 106 V C 2.050 177.804 176.094 -0.566 0.000 1.049 106 V CA 1.395 63.347 62.300 -0.580 0.000 1.024 106 V CB -0.533 30.688 31.823 -1.003 0.000 0.648 106 V HN 0.296 nan 8.190 nan 0.000 0.447 107 I N -0.172 119.967 120.570 -0.718 0.000 2.127 107 I HA -0.364 3.807 4.170 0.001 0.000 0.241 107 I C 2.731 178.584 176.117 -0.440 0.000 1.075 107 I CA 1.929 62.855 61.300 -0.624 0.000 1.334 107 I CB -0.501 37.197 38.000 -0.503 0.000 1.040 107 I HN 0.351 nan 8.210 nan 0.000 0.405 108 Q N 0.379 119.982 119.800 -0.328 0.000 2.124 108 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 108 Q C 2.280 178.177 176.000 -0.172 0.000 0.977 108 Q CA 1.506 57.175 55.803 -0.224 0.000 0.850 108 Q CB -0.407 28.215 28.738 -0.192 0.000 0.901 108 Q HN 0.659 nan 8.270 nan 0.000 0.429 109 G N 1.057 109.753 108.800 -0.174 0.000 2.598 109 G HA2 -0.216 3.745 3.960 0.001 0.000 0.215 109 G HA3 -0.216 3.745 3.960 0.001 0.000 0.215 109 G C 0.964 175.813 174.900 -0.086 0.000 1.131 109 G CA 0.560 45.592 45.100 -0.112 0.000 0.785 109 G HN 0.465 nan 8.290 nan 0.000 0.539 110 Q N -0.662 119.067 119.800 -0.119 0.000 2.135 110 Q HA 0.419 4.759 4.340 0.001 0.000 0.222 110 Q C -0.217 175.762 176.000 -0.034 0.000 0.808 110 Q CA -0.276 55.496 55.803 -0.051 0.000 1.049 110 Q CB 0.200 28.930 28.738 -0.013 0.000 1.168 110 Q HN 0.243 nan 8.270 nan 0.000 0.483 111 L N 2.104 123.284 121.223 -0.072 0.000 2.295 111 L HA 0.509 4.849 4.340 0.001 0.000 0.281 111 L C -0.984 175.884 176.870 -0.005 0.000 1.018 111 L CA -0.835 53.986 54.840 -0.032 0.000 0.841 111 L CB 1.253 43.261 42.059 -0.085 0.000 1.218 111 L HN 0.193 nan 8.230 nan 0.000 0.424 112 M N 2.070 121.694 119.600 0.039 0.000 2.129 112 M HA 0.272 4.753 4.480 0.001 0.000 0.348 112 M C 0.290 176.625 176.300 0.057 0.000 1.116 112 M CA -0.103 55.227 55.300 0.051 0.000 1.022 112 M CB 1.522 34.174 32.600 0.088 0.000 1.599 112 M HN 0.296 nan 8.290 nan 0.000 0.449 113 S N 1.842 117.564 115.700 0.036 0.000 2.552 113 S HA 0.097 4.567 4.470 0.001 0.000 0.289 113 S C 1.507 176.142 174.600 0.058 0.000 1.304 113 S CA -0.595 57.627 58.200 0.036 0.000 1.063 113 S CB 0.521 63.730 63.200 0.016 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.508 122.468 119.914 0.077 0.000 2.323 114 V HA -0.004 4.116 4.120 0.001 0.000 0.244 114 V C 1.210 177.319 176.094 0.025 0.000 1.041 114 V CA 1.445 63.788 62.300 0.071 0.000 1.025 114 V CB -0.015 31.889 31.823 0.136 0.000 0.656 114 V HN 0.793 nan 8.190 nan 0.000 0.451 115 S N -0.607 115.127 115.700 0.057 0.000 2.736 115 S HA 0.542 5.012 4.470 0.001 0.000 0.285 115 S C -1.149 173.458 174.600 0.011 0.000 1.163 115 S CA -0.462 57.736 58.200 -0.003 0.000 1.025 115 S CB 1.515 64.691 63.200 -0.039 0.000 1.030 115 S HN 0.004 nan 8.310 nan 0.000 0.486 116 V N 7.791 127.697 119.914 -0.014 0.000 2.384 116 V HA 0.558 4.679 4.120 0.001 0.000 0.287 116 V C -1.998 174.078 176.094 -0.029 0.000 1.020 116 V CA -1.831 60.459 62.300 -0.018 0.000 0.850 116 V CB 1.565 33.377 31.823 -0.019 0.000 0.987 116 V HN 0.711 nan 8.190 nan 0.000 0.436 117 P HA 0.151 nan 4.420 nan 0.000 0.272 117 P C -0.149 177.126 177.300 -0.042 0.000 1.240 117 P CA -0.129 62.952 63.100 -0.033 0.000 0.791 117 P CB 0.821 32.502 31.700 -0.030 0.000 0.978 118 V N 2.464 122.357 119.914 -0.036 0.000 2.584 118 V HA -0.081 4.039 4.120 0.001 0.000 0.303 118 V C 1.321 177.364 176.094 -0.085 0.000 1.035 118 V CA 0.352 62.626 62.300 -0.044 0.000 1.172 118 V CB -0.985 30.834 31.823 -0.007 0.000 0.896 118 V HN 0.623 nan 8.190 nan 0.000 0.486 119 N N 4.030 122.670 118.700 -0.100 0.000 2.497 119 N HA 0.085 4.826 4.740 0.001 0.000 0.271 119 N C 0.654 175.983 175.510 -0.301 0.000 1.142 119 N CA 0.477 53.438 53.050 -0.148 0.000 0.965 119 N CB 1.514 39.944 38.487 -0.096 0.000 1.077 119 N HN 0.873 nan 8.380 nan 0.000 0.462 120 T N 1.062 115.316 114.554 -0.500 0.000 3.252 120 T HA 0.130 4.481 4.350 0.001 0.000 0.286 120 T C 0.395 174.548 174.700 -0.912 0.000 1.013 120 T CA -0.549 60.824 62.100 -1.212 0.000 0.914 120 T CB -0.154 68.190 68.868 -0.873 0.000 1.131 120 T HN 0.229 nan 8.240 nan 0.000 0.529 121 L N 3.026 124.016 121.223 -0.388 0.000 2.410 121 L HA 0.470 4.810 4.340 0.001 0.000 0.273 121 L C -0.235 176.664 176.870 0.048 0.000 1.152 121 L CA -0.687 54.069 54.840 -0.139 0.000 0.855 121 L CB 0.721 42.738 42.059 -0.069 0.000 1.129 121 L HN 0.138 nan 8.230 nan 0.000 0.463 122 V N 6.470 126.444 119.914 0.101 0.000 2.432 122 V HA 0.250 4.371 4.120 0.001 0.000 0.271 122 V C 0.017 176.179 176.094 0.113 0.000 1.046 122 V CA -0.572 61.847 62.300 0.198 0.000 0.945 122 V CB 1.306 33.226 31.823 0.162 0.000 0.992 122 V HN 0.522 nan 8.190 nan 0.000 0.471 123 V N 5.436 125.419 119.914 0.114 0.000 2.311 123 V HA 0.326 4.446 4.120 0.001 0.000 0.275 123 V C 0.238 176.362 176.094 0.051 0.000 1.022 123 V CA -0.416 61.925 62.300 0.070 0.000 0.830 123 V CB 1.281 33.144 31.823 0.068 0.000 1.012 123 V HN 1.075 nan 8.190 nan 0.000 0.452 124 D N 2.032 122.454 120.400 0.037 0.000 2.538 124 D HA 0.009 4.649 4.640 0.001 0.000 0.231 124 D C 1.115 177.424 176.300 0.015 0.000 1.229 124 D CA 0.218 54.231 54.000 0.021 0.000 0.828 124 D CB 0.404 41.216 40.800 0.020 0.000 1.035 124 D HN 0.542 nan 8.370 nan 0.000 0.495 125 T N -1.833 112.732 114.554 0.019 0.000 3.215 125 T HA 0.338 4.688 4.350 0.001 0.000 0.271 125 T C 0.665 175.376 174.700 0.018 0.000 1.012 125 T CA -0.551 61.559 62.100 0.016 0.000 0.899 125 T CB -0.266 68.612 68.868 0.017 0.000 1.089 125 T HN 0.022 nan 8.240 nan 0.000 0.552 126 L N 1.815 123.050 121.223 0.020 0.000 2.464 126 L HA 0.362 4.702 4.340 0.001 0.000 0.264 126 L C 1.131 178.011 176.870 0.017 0.000 1.199 126 L CA -0.653 54.201 54.840 0.024 0.000 0.818 126 L CB 0.480 42.557 42.059 0.029 0.000 1.102 126 L HN 0.229 nan 8.230 nan 0.000 0.473 127 S N 1.447 117.160 115.700 0.022 0.000 2.560 127 S HA 0.093 4.563 4.470 0.001 0.000 0.284 127 S C -1.448 173.160 174.600 0.012 0.000 1.327 127 S CA -1.012 57.199 58.200 0.017 0.000 1.055 127 S CB 0.783 63.997 63.200 0.023 0.000 0.868 127 S HN 0.395 nan 8.310 nan 0.000 0.506 128 P HA -0.092 nan 4.420 nan 0.000 0.218 128 P C 1.407 178.708 177.300 0.002 0.000 1.146 128 P CA 1.424 64.521 63.100 -0.004 0.000 0.813 128 P CB -0.210 31.487 31.700 -0.005 0.000 0.778 129 T N -5.423 109.141 114.554 0.017 0.000 3.023 129 T HA 0.063 4.414 4.350 0.001 0.000 0.266 129 T C 1.035 175.768 174.700 0.054 0.000 1.093 129 T CA 0.161 62.279 62.100 0.030 0.000 1.129 129 T CB -0.663 68.224 68.868 0.032 0.000 0.899 129 T HN -0.094 nan 8.240 nan 0.000 0.491 130 S N 1.477 117.212 115.700 0.058 0.000 2.564 130 S HA 0.275 4.745 4.470 0.001 0.000 0.278 130 S C -0.532 174.146 174.600 0.130 0.000 1.333 130 S CA -0.977 57.284 58.200 0.102 0.000 1.048 130 S CB 0.109 63.363 63.200 0.090 0.000 0.900 130 S HN 0.597 nan 8.310 nan 0.000 0.505 131 W N 3.192 124.500 121.300 0.012 0.000 2.210 131 W HA 0.198 4.858 4.660 0.001 0.000 0.330 131 W C -0.031 176.501 176.519 0.021 0.000 1.334 131 W CA 0.235 57.586 57.345 0.010 0.000 1.227 131 W CB 0.395 29.861 29.460 0.010 0.000 1.178 131 W HN 0.384 nan 8.180 nan 0.000 0.560 132 Q N 4.417 123.812 119.800 -0.674 0.000 2.331 132 Q HA 0.478 4.818 4.340 0.001 0.000 0.272 132 Q C -0.366 174.873 176.000 -1.269 0.000 1.062 132 Q CA -0.726 54.673 55.803 -0.672 0.000 0.806 132 Q CB 1.913 30.474 28.738 -0.294 0.000 1.312 132 Q HN 0.631 nan 8.270 nan 0.000 0.431 133 A N 1.158 123.437 122.820 -0.900 0.000 2.386 133 A HA 0.324 4.645 4.320 0.001 0.000 0.246 133 A C 0.688 178.074 177.584 -0.330 0.000 1.089 133 A CA 0.053 51.779 52.037 -0.519 0.000 0.790 133 A CB 0.354 19.414 19.000 0.099 0.000 1.042 133 A HN 0.702 nan 8.150 nan 0.000 0.497 134 S N -0.680 114.869 115.700 -0.251 0.000 2.556 134 S HA 0.174 4.644 4.470 0.001 0.000 0.216 134 S C 0.598 175.084 174.600 -0.191 0.000 0.970 134 S CA 0.562 58.634 58.200 -0.213 0.000 0.912 134 S CB -0.260 62.839 63.200 -0.168 0.000 0.790 134 S HN 1.099 nan 8.310 nan 0.000 0.504 135 T N -1.471 113.002 114.554 -0.134 0.000 2.887 135 T HA 0.643 4.993 4.350 0.001 0.000 0.292 135 T C -0.782 173.854 174.700 -0.106 0.000 1.087 135 T CA -0.734 61.295 62.100 -0.118 0.000 1.009 135 T CB 0.706 69.605 68.868 0.051 0.000 1.203 135 T HN -0.079 nan 8.240 nan 0.000 0.518 136 F N 3.023 123.050 119.950 0.127 0.000 2.605 136 F HA 0.372 4.899 4.527 0.001 0.000 0.352 136 F C 0.453 176.300 175.800 0.079 0.000 1.236 136 F CA -1.862 56.175 58.000 0.062 0.000 1.267 136 F CB -1.012 37.995 39.000 0.012 0.000 1.632 136 F HN 0.559 nan 8.300 nan 0.000 0.639 137 F N -0.691 119.351 119.950 0.154 0.000 2.399 137 F HA 0.538 5.066 4.527 0.001 0.000 0.313 137 F C -0.006 175.865 175.800 0.118 0.000 1.202 137 F CA -1.625 56.447 58.000 0.120 0.000 1.192 137 F CB -0.153 38.909 39.000 0.102 0.000 1.256 137 F HN -0.158 nan 8.300 nan 0.000 0.558 138 V N 2.929 122.958 119.914 0.193 0.000 2.425 138 V HA 0.238 4.359 4.120 0.001 0.000 0.276 138 V C 0.191 176.283 176.094 -0.004 0.000 1.017 138 V CA 0.090 62.429 62.300 0.066 0.000 1.062 138 V CB -0.894 30.999 31.823 0.117 0.000 0.997 138 V HN 0.731 nan 8.190 nan 0.000 0.476 139 R N 3.842 124.244 120.500 -0.163 0.000 2.725 139 R HA 0.437 4.777 4.340 0.001 0.000 0.277 139 R C 0.018 176.260 176.300 -0.097 0.000 0.987 139 R CA -0.899 55.062 56.100 -0.231 0.000 0.901 139 R CB 1.449 31.456 30.300 -0.488 0.000 1.207 139 R HN 0.701 nan 8.270 nan 0.000 0.463 140 N N 0.800 119.472 118.700 -0.047 0.000 2.747 140 N HA -0.183 4.557 4.740 0.001 0.000 0.249 140 N C 0.442 175.938 175.510 -0.023 0.000 1.107 140 N CA 1.538 54.569 53.050 -0.032 0.000 0.707 140 N CB -1.161 37.300 38.487 -0.043 0.000 1.054 140 N HN 1.083 nan 8.380 nan 0.000 0.555 141 G N -1.491 107.301 108.800 -0.013 0.000 2.155 141 G HA2 -0.327 3.633 3.960 0.001 0.000 0.257 141 G HA3 -0.327 3.633 3.960 0.001 0.000 0.257 141 G C 0.265 175.159 174.900 -0.011 0.000 0.983 141 G CA 0.945 46.041 45.100 -0.007 0.000 0.676 141 G HN 1.365 nan 8.290 nan 0.000 0.528 142 S N -0.600 115.087 115.700 -0.021 0.000 2.585 142 S HA 0.464 4.934 4.470 0.001 0.000 0.273 142 S C 0.174 174.763 174.600 -0.018 0.000 1.339 142 S CA -0.042 58.142 58.200 -0.026 0.000 1.028 142 S CB 1.790 64.966 63.200 -0.040 0.000 0.906 142 S HN 0.592 nan 8.310 nan 0.000 0.528 143 N N 2.589 121.272 118.700 -0.029 0.000 2.462 143 N HA 0.345 5.086 4.740 0.001 0.000 0.242 143 N C -1.592 173.901 175.510 -0.027 0.000 1.010 143 N CA -2.519 50.507 53.050 -0.040 0.000 0.939 143 N CB 1.153 39.589 38.487 -0.085 0.000 1.127 143 N HN 0.400 nan 8.380 nan 0.000 0.509 144 P HA -0.037 nan 4.420 nan 0.000 0.233 144 P C 0.333 177.654 177.300 0.036 0.000 1.167 144 P CA 0.765 63.881 63.100 0.026 0.000 0.770 144 P CB 0.592 32.323 31.700 0.052 0.000 0.837 145 E N -0.127 120.079 120.200 0.010 0.000 2.274 145 E HA -0.099 4.252 4.350 0.001 0.000 0.194 145 E C 0.919 177.524 176.600 0.008 0.000 0.996 145 E CA 0.628 57.051 56.400 0.039 0.000 0.840 145 E CB -0.188 29.462 29.700 -0.084 0.000 0.772 145 E HN 0.288 nan 8.360 nan 0.000 0.491 146 Q N 2.273 122.040 119.800 -0.054 0.000 2.296 146 Q HA 0.015 4.356 4.340 0.001 0.000 0.263 146 Q C -0.848 175.159 176.000 0.012 0.000 1.026 146 Q CA -0.084 55.689 55.803 -0.049 0.000 0.912 146 Q CB 0.639 29.336 28.738 -0.068 0.000 1.198 146 Q HN -0.175 nan 8.270 nan 0.000 0.407 147 D N 6.062 126.489 120.400 0.045 0.000 2.358 147 D HA 0.064 4.705 4.640 0.001 0.000 0.258 147 D C -1.718 174.599 176.300 0.028 0.000 1.223 147 D CA -1.908 52.120 54.000 0.047 0.000 0.886 147 D CB 1.247 42.089 40.800 0.071 0.000 1.120 147 D HN 0.414 nan 8.370 nan 0.000 0.482 148 P HA -0.079 nan 4.420 nan 0.000 0.225 148 P C 1.217 178.520 177.300 0.004 0.000 1.148 148 P CA 0.703 63.801 63.100 -0.003 0.000 0.779 148 P CB 0.331 32.018 31.700 -0.021 0.000 0.780 149 L N -1.339 119.891 121.223 0.012 0.000 2.607 149 L HA 0.192 4.533 4.340 0.001 0.000 0.228 149 L C 1.534 178.419 176.870 0.024 0.000 1.123 149 L CA 0.213 55.061 54.840 0.013 0.000 0.890 149 L CB -0.082 41.981 42.059 0.007 0.000 1.103 149 L HN -0.177 nan 8.230 nan 0.000 0.468 150 R N -0.111 120.413 120.500 0.040 0.000 2.776 150 R HA 0.213 4.554 4.340 0.001 0.000 0.391 150 R C -0.375 175.981 176.300 0.093 0.000 1.116 150 R CA -0.270 55.866 56.100 0.061 0.000 1.056 150 R CB 0.291 30.631 30.300 0.068 0.000 1.369 150 R HN 0.045 nan 8.270 nan 0.000 0.590 151 N N 0.614 119.344 118.700 0.050 0.000 2.477 151 N HA 0.341 5.082 4.740 0.001 0.000 0.284 151 N C -0.616 174.800 175.510 -0.157 0.000 1.182 151 N CA -0.596 52.461 53.050 0.013 0.000 0.949 151 N CB 1.174 39.667 38.487 0.011 0.000 1.204 151 N HN 0.095 nan 8.380 nan 0.000 0.526 152 L N 2.157 123.111 121.223 -0.447 0.000 2.475 152 L HA 0.192 4.532 4.340 0.001 0.000 0.253 152 L C 1.502 178.173 176.870 -0.331 0.000 1.137 152 L CA -0.275 54.178 54.840 -0.645 0.000 1.058 152 L CB 0.279 41.528 42.059 -1.351 0.000 1.382 152 L HN 0.643 nan 8.230 nan 0.000 0.416 153 S N -0.093 115.513 115.700 -0.156 0.000 2.399 153 S HA -0.135 4.335 4.470 0.001 0.000 0.231 153 S C 1.787 176.347 174.600 -0.067 0.000 1.022 153 S CA 1.139 59.296 58.200 -0.072 0.000 0.983 153 S CB -0.206 62.968 63.200 -0.044 0.000 0.803 153 S HN 0.632 nan 8.310 nan 0.000 0.480 154 G N 0.426 109.171 108.800 -0.091 0.000 2.712 154 G HA2 0.094 4.055 3.960 0.001 0.000 0.212 154 G HA3 0.094 4.055 3.960 0.001 0.000 0.212 154 G C 0.569 175.433 174.900 -0.061 0.000 1.142 154 G CA -0.294 44.768 45.100 -0.064 0.000 0.789 154 G HN 0.376 nan 8.290 nan 0.000 0.535 155 Q N 0.678 120.415 119.800 -0.105 0.000 2.300 155 Q HA 0.479 4.820 4.340 0.001 0.000 0.280 155 Q C -0.071 175.946 176.000 0.029 0.000 1.033 155 Q CA 0.318 56.087 55.803 -0.057 0.000 0.903 155 Q CB 1.294 29.963 28.738 -0.115 0.000 1.195 155 Q HN 0.304 nan 8.270 nan 0.000 0.386 156 A N 2.107 124.954 122.820 0.045 0.000 2.594 156 A HA 0.762 5.082 4.320 0.001 0.000 0.291 156 A C -1.024 176.606 177.584 0.077 0.000 1.105 156 A CA -0.505 51.566 52.037 0.057 0.000 0.694 156 A CB 1.385 20.404 19.000 0.032 0.000 1.291 156 A HN 0.487 nan 8.150 nan 0.000 0.410 157 V N -2.314 117.658 119.914 0.096 0.000 3.040 157 V HA 0.951 5.071 4.120 0.001 0.000 0.312 157 V C -0.540 175.638 176.094 0.140 0.000 1.115 157 V CA -0.544 61.833 62.300 0.128 0.000 0.998 157 V CB 1.645 33.569 31.823 0.170 0.000 1.042 157 V HN 0.908 nan 8.190 nan 0.000 0.433 158 T N 2.637 117.280 114.554 0.148 0.000 2.809 158 T HA 0.569 4.919 4.350 0.001 0.000 0.284 158 T C -0.345 174.416 174.700 0.102 0.000 0.992 158 T CA -0.436 61.745 62.100 0.134 0.000 0.957 158 T CB 1.045 70.022 68.868 0.181 0.000 0.942 158 T HN 0.763 nan 8.240 nan 0.000 0.439 159 R N 2.666 123.214 120.500 0.080 0.000 2.505 159 R HA 0.577 4.918 4.340 0.001 0.000 0.284 159 R C -0.608 175.717 176.300 0.042 0.000 1.324 159 R CA -0.559 55.562 56.100 0.035 0.000 1.432 159 R CB 0.760 31.058 30.300 -0.002 0.000 1.107 159 R HN 0.524 nan 8.270 nan 0.000 0.587 160 V N -1.858 118.081 119.914 0.042 0.000 3.087 160 V HA 0.477 4.597 4.120 0.001 0.000 0.306 160 V C -0.007 176.107 176.094 0.034 0.000 1.187 160 V CA -1.130 61.196 62.300 0.044 0.000 0.999 160 V CB 2.055 33.913 31.823 0.058 0.000 1.049 160 V HN 0.095 nan 8.190 nan 0.000 0.431 161 V N 3.363 123.299 119.914 0.036 0.000 2.529 161 V HA 0.512 4.632 4.120 0.001 0.000 0.292 161 V C 1.692 177.806 176.094 0.032 0.000 1.028 161 V CA 1.843 64.164 62.300 0.034 0.000 1.074 161 V CB 0.009 31.853 31.823 0.035 0.000 0.958 161 V HN 2.032 nan 8.190 nan 0.000 0.481 162 G N 3.354 112.168 108.800 0.024 0.000 2.194 162 G HA2 -0.008 3.952 3.960 0.001 0.000 0.236 162 G HA3 -0.008 3.952 3.960 0.001 0.000 0.236 162 G C 1.002 175.881 174.900 -0.035 0.000 0.987 162 G CA 0.279 45.382 45.100 0.004 0.000 0.635 162 G HN 2.117 nan 8.290 nan 0.000 0.520 163 G N 0.105 108.896 108.800 -0.016 0.000 2.582 163 G HA2 -0.265 3.695 3.960 0.001 0.000 0.288 163 G HA3 -0.265 3.695 3.960 0.001 0.000 0.288 163 G C 1.155 176.006 174.900 -0.082 0.000 1.247 163 G CA 1.202 46.287 45.100 -0.025 0.000 0.972 163 G HN 1.106 nan 8.290 nan 0.000 0.557 164 M N 1.589 121.101 119.600 -0.147 0.000 2.557 164 M HA 0.019 4.499 4.480 0.001 0.000 0.259 164 M C 2.676 178.640 176.300 -0.560 0.000 1.086 164 M CA 1.641 56.719 55.300 -0.370 0.000 1.096 164 M CB -0.184 32.280 32.600 -0.225 0.000 1.424 164 M HN 0.717 nan 8.290 nan 0.000 0.488 165 S N -0.371 115.051 115.700 -0.464 0.000 2.555 165 S HA -0.074 4.397 4.470 0.001 0.000 0.230 165 S C 1.734 176.208 174.600 -0.210 0.000 0.978 165 S CA 1.211 59.042 58.200 -0.614 0.000 0.934 165 S CB -0.929 61.955 63.200 -0.526 0.000 0.766 165 S HN 0.581 nan 8.310 nan 0.000 0.533 166 T N -0.664 113.768 114.554 -0.204 0.000 3.085 166 T HA 0.009 4.360 4.350 0.001 0.000 0.263 166 T C 1.424 175.943 174.700 -0.301 0.000 1.127 166 T CA 0.903 62.906 62.100 -0.162 0.000 1.103 166 T CB -0.658 68.208 68.868 -0.003 0.000 0.921 166 T HN 0.898 nan 8.240 nan 0.000 0.510 167 H N -1.865 117.120 119.070 -0.141 0.000 3.535 167 H HA 0.197 4.754 4.556 0.001 0.000 0.260 167 H C 0.551 176.086 175.328 0.346 0.000 1.173 167 H CA -0.989 55.119 56.048 0.099 0.000 1.168 167 H CB -0.489 29.346 29.762 0.121 0.000 1.568 167 H HN 0.492 nan 8.280 nan 0.000 0.602 168 W N 2.789 124.020 121.300 -0.116 0.000 2.042 168 W HA 0.248 4.909 4.660 0.001 0.000 0.358 168 W C 0.034 176.638 176.519 0.141 0.000 1.325 168 W CA -0.021 57.353 57.345 0.048 0.000 1.311 168 W CB -0.273 29.152 29.460 -0.058 0.000 1.210 168 W HN -0.177 nan 8.180 nan 0.000 0.620 169 T N 0.941 115.471 114.554 -0.039 0.000 3.088 169 T HA -0.017 4.333 4.350 0.001 0.000 0.259 169 T C 1.044 175.334 174.700 -0.685 0.000 1.122 169 T CA 1.121 63.024 62.100 -0.329 0.000 1.095 169 T CB -0.565 68.267 68.868 -0.061 0.000 0.930 169 T HN 0.663 nan 8.240 nan 0.000 0.508 170 C N 1.074 119.611 119.300 -1.272 0.000 4.465 170 C HA -0.109 4.351 4.460 0.001 0.000 0.274 170 C C 1.112 175.634 174.990 -0.781 0.000 1.337 170 C CA -0.710 57.291 59.018 -1.696 0.000 1.822 170 C CB -2.773 24.408 27.740 -0.931 0.000 1.357 170 C HN 0.766 nan 8.230 nan 0.000 0.753 171 A N 1.065 123.617 122.820 -0.448 0.000 2.354 171 A HA 0.580 4.900 4.320 0.001 0.000 0.281 171 A C 0.767 178.269 177.584 -0.137 0.000 1.174 171 A CA 1.019 52.938 52.037 -0.197 0.000 0.828 171 A CB 0.206 19.149 19.000 -0.096 0.000 1.099 171 A HN 1.366 nan 8.150 nan 0.000 0.516 172 T N 1.534 116.027 114.554 -0.102 0.000 3.504 172 T HA 0.505 4.855 4.350 0.001 0.000 0.286 172 T C -2.675 171.987 174.700 -0.064 0.000 1.530 172 T CA -1.505 60.575 62.100 -0.034 0.000 1.652 172 T CB 0.520 69.401 68.868 0.022 0.000 0.895 172 T HN 0.449 nan 8.240 nan 0.000 0.674 173 P HA 0.359 nan 4.420 nan 0.000 0.277 173 P C -0.190 176.979 177.300 -0.218 0.000 1.240 173 P CA -0.603 62.400 63.100 -0.161 0.000 0.798 173 P CB 1.100 32.664 31.700 -0.227 0.000 0.979 174 R N 1.001 121.287 120.500 -0.355 0.000 2.582 174 R HA 0.353 4.693 4.340 0.001 0.000 0.271 174 R C 0.135 176.320 176.300 -0.191 0.000 1.078 174 R CA -0.397 55.309 56.100 -0.657 0.000 1.127 174 R CB 0.108 29.844 30.300 -0.940 0.000 1.038 174 R HN 0.376 nan 8.270 nan 0.000 0.500 175 F N 2.084 121.820 119.950 -0.356 0.000 2.412 175 F HA 0.037 4.564 4.527 0.001 0.000 0.348 175 F C 0.986 176.611 175.800 -0.292 0.000 1.102 175 F CA -1.441 56.377 58.000 -0.303 0.000 1.196 175 F CB 0.238 39.056 39.000 -0.303 0.000 1.144 175 F HN 0.546 nan 8.300 nan 0.000 0.541 176 D N 2.545 122.873 120.400 -0.121 0.000 2.383 176 D HA 0.139 4.779 4.640 0.001 0.000 0.248 176 D C 1.056 177.272 176.300 -0.140 0.000 1.170 176 D CA -0.453 53.475 54.000 -0.120 0.000 0.977 176 D CB 0.597 41.341 40.800 -0.094 0.000 1.120 176 D HN 0.451 nan 8.370 nan 0.000 0.481 177 R N -0.134 120.308 120.500 -0.097 0.000 2.096 177 R HA -0.223 4.118 4.340 0.001 0.000 0.240 177 R C 2.024 178.270 176.300 -0.090 0.000 1.139 177 R CA 1.880 57.931 56.100 -0.083 0.000 0.952 177 R CB -0.438 29.845 30.300 -0.028 0.000 0.854 177 R HN 0.731 nan 8.270 nan 0.000 0.436 178 E N 1.053 121.197 120.200 -0.093 0.000 2.171 178 E HA -0.247 4.103 4.350 0.001 0.000 0.197 178 E C 1.556 178.048 176.600 -0.180 0.000 0.997 178 E CA 1.415 57.761 56.400 -0.089 0.000 0.810 178 E CB 0.126 29.806 29.700 -0.034 0.000 0.738 178 E HN 0.445 nan 8.360 nan 0.000 0.467 179 Q N -0.462 119.139 119.800 -0.332 0.000 2.356 179 Q HA 0.115 4.455 4.340 0.001 0.000 0.205 179 Q C 0.378 176.264 176.000 -0.190 0.000 0.901 179 Q CA -0.122 55.417 55.803 -0.440 0.000 0.938 179 Q CB 0.537 28.723 28.738 -0.921 0.000 1.081 179 Q HN -0.014 nan 8.270 nan 0.000 0.517 180 R N 1.940 122.379 120.500 -0.102 0.000 2.346 180 R HA 0.284 4.624 4.340 0.001 0.000 0.311 180 R C -2.565 173.715 176.300 -0.033 0.000 0.983 180 R CA -2.130 53.917 56.100 -0.088 0.000 0.880 180 R CB 0.887 30.964 30.300 -0.372 0.000 1.100 180 R HN -0.140 nan 8.270 nan 0.000 0.453 181 P HA 0.003 nan 4.420 nan 0.000 0.269 181 P C -0.614 176.865 177.300 0.299 0.000 1.209 181 P CA -0.028 63.174 63.100 0.170 0.000 0.776 181 P CB 0.551 32.378 31.700 0.212 0.000 0.876 182 L N 2.975 124.326 121.223 0.214 0.000 2.367 182 L HA 0.163 4.504 4.340 0.001 0.000 0.275 182 L C 1.492 178.505 176.870 0.239 0.000 1.129 182 L CA -0.090 54.933 54.840 0.306 0.000 0.839 182 L CB 0.334 42.605 42.059 0.353 0.000 1.133 182 L HN 0.394 nan 8.230 nan 0.000 0.453 183 L N 3.734 125.145 121.223 0.313 0.000 2.575 183 L HA 0.214 4.554 4.340 0.001 0.000 0.228 183 L C -0.281 176.761 176.870 0.286 0.000 1.075 183 L CA 0.194 55.106 54.840 0.119 0.000 0.867 183 L CB 0.833 42.749 42.059 -0.239 0.000 1.097 183 L HN 0.313 nan 8.230 nan 0.000 0.485 184 V N 1.292 121.386 119.914 0.300 0.000 2.483 184 V HA 0.205 4.326 4.120 0.001 0.000 0.297 184 V C -0.387 175.806 176.094 0.165 0.000 1.027 184 V CA -1.009 61.407 62.300 0.194 0.000 0.855 184 V CB 1.671 33.554 31.823 0.100 0.000 0.995 184 V HN 0.200 nan 8.190 nan 0.000 0.424 185 K N 2.689 123.059 120.400 -0.050 0.000 2.218 185 K HA 0.441 4.761 4.320 0.001 0.000 0.276 185 K C -0.224 176.338 176.600 -0.063 0.000 1.022 185 K CA -0.435 55.775 56.287 -0.127 0.000 0.946 185 K CB 0.629 32.828 32.500 -0.501 0.000 1.000 185 K HN 0.585 nan 8.250 nan 0.000 0.468 186 D N 0.679 121.071 120.400 -0.013 0.000 2.945 186 D HA -0.159 4.481 4.640 0.001 0.000 0.225 186 D C -0.878 175.427 176.300 0.010 0.000 1.158 186 D CA 1.486 55.483 54.000 -0.004 0.000 0.805 186 D CB -0.757 40.026 40.800 -0.029 0.000 1.098 186 D HN 0.803 nan 8.370 nan 0.000 0.426 187 D N -1.221 119.198 120.400 0.031 0.000 2.445 187 D HA 0.421 5.061 4.640 0.001 0.000 0.236 187 D C 0.893 177.230 176.300 0.062 0.000 1.315 187 D CA 0.192 54.215 54.000 0.038 0.000 0.924 187 D CB 0.450 41.266 40.800 0.027 0.000 1.447 187 D HN -0.014 nan 8.370 nan 0.000 0.532 188 A N 2.311 125.169 122.820 0.063 0.000 1.972 188 A HA -0.156 4.165 4.320 0.001 0.000 0.219 188 A C 1.605 179.238 177.584 0.082 0.000 1.169 188 A CA 1.359 53.443 52.037 0.079 0.000 0.635 188 A CB 0.020 19.058 19.000 0.063 0.000 0.810 188 A HN 0.459 nan 8.150 nan 0.000 0.446 189 D N -0.034 120.405 120.400 0.064 0.000 2.162 189 D HA 0.039 4.679 4.640 0.001 0.000 0.203 189 D C 2.231 178.572 176.300 0.068 0.000 0.967 189 D CA 1.319 55.356 54.000 0.062 0.000 0.840 189 D CB -0.367 40.460 40.800 0.045 0.000 0.972 189 D HN 0.430 nan 8.370 nan 0.000 0.482 190 A N 1.084 123.941 122.820 0.062 0.000 1.873 190 A HA -0.195 4.125 4.320 0.001 0.000 0.215 190 A C 1.974 179.605 177.584 0.078 0.000 1.186 190 A CA 1.891 53.961 52.037 0.055 0.000 0.616 190 A CB -0.670 18.355 19.000 0.041 0.000 0.823 190 A HN 0.129 nan 8.150 nan 0.000 0.442 191 D N -0.062 120.407 120.400 0.115 0.000 2.116 191 D HA -0.191 4.449 4.640 0.001 0.000 0.193 191 D C 1.283 177.748 176.300 0.276 0.000 0.998 191 D CA 1.799 55.917 54.000 0.197 0.000 0.836 191 D CB -0.132 40.812 40.800 0.240 0.000 0.951 191 D HN 0.379 nan 8.370 nan 0.000 0.449 192 D N -0.327 120.199 120.400 0.211 0.000 2.104 192 D HA -0.128 4.512 4.640 0.001 0.000 0.194 192 D C 2.012 178.426 176.300 0.191 0.000 0.994 192 D CA 1.491 55.617 54.000 0.210 0.000 0.830 192 D CB -0.647 40.231 40.800 0.131 0.000 0.959 192 D HN 0.333 nan 8.370 nan 0.000 0.452 193 A N 0.721 123.614 122.820 0.122 0.000 1.902 193 A HA -0.217 4.103 4.320 0.001 0.000 0.217 193 A C 2.154 179.774 177.584 0.061 0.000 1.181 193 A CA 2.009 54.096 52.037 0.083 0.000 0.623 193 A CB -0.582 18.448 19.000 0.050 0.000 0.818 193 A HN 0.208 nan 8.150 nan 0.000 0.443 194 E N -0.892 119.324 120.200 0.027 0.000 2.051 194 E HA -0.212 4.139 4.350 0.001 0.000 0.192 194 E C 1.713 178.243 176.600 -0.117 0.000 0.991 194 E CA 1.664 58.011 56.400 -0.087 0.000 0.799 194 E CB -0.467 29.130 29.700 -0.173 0.000 0.748 194 E HN 0.726 nan 8.360 nan 0.000 0.449 195 W N 0.742 122.010 121.300 -0.053 0.000 2.358 195 W HA -0.136 4.525 4.660 0.001 0.000 0.303 195 W C 2.240 178.759 176.519 0.001 0.000 1.208 195 W CA 1.184 58.464 57.345 -0.109 0.000 1.274 195 W CB -0.448 28.989 29.460 -0.038 0.000 1.138 195 W HN 0.244 nan 8.180 nan 0.000 0.515 196 D N 0.027 120.615 120.400 0.314 0.000 2.123 196 D HA -0.234 4.407 4.640 0.001 0.000 0.196 196 D C 2.120 178.507 176.300 0.144 0.000 0.992 196 D CA 1.616 55.759 54.000 0.238 0.000 0.833 196 D CB -0.239 40.651 40.800 0.151 0.000 0.954 196 D HN -0.032 nan 8.370 nan 0.000 0.455 197 R N -0.471 120.066 120.500 0.061 0.000 2.073 197 R HA -0.088 4.252 4.340 0.001 0.000 0.234 197 R C 2.533 178.802 176.300 -0.052 0.000 1.134 197 R CA 1.227 57.322 56.100 -0.008 0.000 0.952 197 R CB -0.308 29.964 30.300 -0.046 0.000 0.850 197 R HN 0.262 nan 8.270 nan 0.000 0.433 198 L N -0.728 120.431 121.223 -0.107 0.000 2.056 198 L HA -0.183 4.157 4.340 0.001 0.000 0.207 198 L C 2.310 179.115 176.870 -0.108 0.000 1.078 198 L CA 1.150 55.871 54.840 -0.199 0.000 0.749 198 L CB -0.554 41.278 42.059 -0.378 0.000 0.901 198 L HN 0.215 nan 8.230 nan 0.000 0.433 199 Y N 0.328 120.640 120.300 0.021 0.000 2.224 199 Y HA -0.215 4.336 4.550 0.001 0.000 0.289 199 Y C 2.862 178.748 175.900 -0.023 0.000 1.146 199 Y CA 1.477 59.593 58.100 0.027 0.000 1.182 199 Y CB -1.073 37.432 38.460 0.076 0.000 0.983 199 Y HN 0.143 nan 8.280 nan 0.000 0.524 200 T N -0.397 114.238 114.554 0.134 0.000 2.746 200 T HA -0.195 4.155 4.350 0.001 0.000 0.267 200 T C 1.979 176.657 174.700 -0.037 0.000 1.039 200 T CA 1.561 63.690 62.100 0.048 0.000 1.142 200 T CB -0.137 68.751 68.868 0.033 0.000 0.866 200 T HN 0.221 nan 8.240 nan 0.000 0.444 201 K N 0.859 121.181 120.400 -0.131 0.000 2.057 201 K HA 0.008 4.329 4.320 0.001 0.000 0.206 201 K C 2.567 178.860 176.600 -0.511 0.000 1.050 201 K CA 1.098 57.180 56.287 -0.341 0.000 0.935 201 K CB -0.286 31.959 32.500 -0.425 0.000 0.715 201 K HN 0.275 nan 8.250 nan 0.000 0.439 202 A N 1.309 123.939 122.820 -0.316 0.000 1.902 202 A HA -0.207 4.114 4.320 0.001 0.000 0.217 202 A C 1.808 179.412 177.584 0.033 0.000 1.181 202 A CA 1.724 53.643 52.037 -0.197 0.000 0.623 202 A CB -0.454 18.539 19.000 -0.012 0.000 0.818 202 A HN 0.437 nan 8.150 nan 0.000 0.443 203 E N -0.160 120.094 120.200 0.091 0.000 2.110 203 E HA -0.152 4.199 4.350 0.001 0.000 0.193 203 E C 2.339 179.028 176.600 0.148 0.000 0.988 203 E CA 1.310 57.804 56.400 0.157 0.000 0.804 203 E CB -0.154 29.609 29.700 0.106 0.000 0.745 203 E HN 0.765 nan 8.360 nan 0.000 0.458 204 S N -0.001 115.741 115.700 0.070 0.000 2.383 204 S HA -0.166 4.304 4.470 0.001 0.000 0.227 204 S C 1.920 176.672 174.600 0.253 0.000 1.026 204 S CA 0.665 58.937 58.200 0.120 0.000 0.981 204 S CB -0.328 62.914 63.200 0.070 0.000 0.818 204 S HN 0.215 nan 8.310 nan 0.000 0.472 205 Y N 0.553 120.869 120.300 0.027 0.000 2.181 205 Y HA 0.088 4.639 4.550 0.001 0.000 0.288 205 Y C 2.070 177.998 175.900 0.048 0.000 1.146 205 Y CA 0.198 58.279 58.100 -0.030 0.000 1.164 205 Y CB -1.108 37.251 38.460 -0.168 0.000 0.982 205 Y HN 0.332 nan 8.280 nan 0.000 0.515 206 F N 0.198 120.309 119.950 0.269 0.000 2.743 206 F HA 0.026 4.554 4.527 0.001 0.000 0.297 206 F C 0.838 176.753 175.800 0.192 0.000 1.131 206 F CA 0.213 58.360 58.000 0.244 0.000 1.426 206 F CB -0.327 38.839 39.000 0.277 0.000 1.116 206 F HN 0.011 nan 8.300 nan 0.000 0.583 207 Q N 0.400 120.394 119.800 0.322 0.000 2.468 207 Q HA -0.193 4.147 4.340 0.001 0.000 0.289 207 Q C 0.080 176.169 176.000 0.149 0.000 1.299 207 Q CA 0.814 56.732 55.803 0.192 0.000 0.838 207 Q CB -2.790 26.036 28.738 0.146 0.000 1.195 207 Q HN 0.232 nan 8.270 nan 0.000 0.456 208 T N 0.123 114.781 114.554 0.172 0.000 2.928 208 T HA 0.410 4.760 4.350 0.001 0.000 0.305 208 T C 0.810 175.545 174.700 0.059 0.000 1.035 208 T CA 0.633 62.796 62.100 0.105 0.000 1.145 208 T CB 1.247 70.187 68.868 0.120 0.000 0.963 208 T HN 0.496 nan 8.240 nan 0.000 0.545 209 G N 0.665 109.484 108.800 0.032 0.000 2.692 209 G HA2 0.544 4.505 3.960 0.001 0.000 0.291 209 G HA3 0.544 4.505 3.960 0.001 0.000 0.291 209 G C 0.028 174.941 174.900 0.021 0.000 1.423 209 G CA -0.602 44.508 45.100 0.016 0.000 0.843 209 G HN 0.642 nan 8.290 nan 0.000 0.486 210 T N -2.330 112.237 114.554 0.021 0.000 3.288 210 T HA 0.264 4.615 4.350 0.001 0.000 0.293 210 T C 0.194 174.914 174.700 0.033 0.000 1.008 210 T CA 0.482 62.604 62.100 0.037 0.000 0.929 210 T CB 0.409 69.302 68.868 0.042 0.000 1.152 210 T HN 0.500 nan 8.240 nan 0.000 0.517 211 D N 0.462 120.863 120.400 0.001 0.000 2.474 211 D HA 0.033 4.673 4.640 0.001 0.000 0.213 211 D C 1.370 177.612 176.300 -0.096 0.000 1.120 211 D CA 0.020 53.999 54.000 -0.034 0.000 0.836 211 D CB -0.069 40.704 40.800 -0.045 0.000 1.019 211 D HN 0.290 nan 8.370 nan 0.000 0.507 212 Q N -0.382 119.356 119.800 -0.103 0.000 2.436 212 Q HA 0.146 4.486 4.340 0.001 0.000 0.209 212 Q C 0.297 175.940 176.000 -0.593 0.000 0.965 212 Q CA 0.849 56.466 55.803 -0.312 0.000 0.910 212 Q CB -0.289 28.233 28.738 -0.360 0.000 0.980 212 Q HN 0.299 nan 8.270 nan 0.000 0.491 213 F N -0.281 119.515 119.950 -0.257 0.000 2.735 213 F HA 0.238 4.765 4.527 0.001 0.000 0.308 213 F C 1.229 176.830 175.800 -0.332 0.000 1.112 213 F CA -0.609 57.197 58.000 -0.322 0.000 1.235 213 F CB 0.414 39.155 39.000 -0.432 0.000 1.027 213 F HN -0.010 nan 8.300 nan 0.000 0.528 214 K N 0.362 120.683 120.400 -0.131 0.000 2.209 214 K HA -0.150 4.171 4.320 0.001 0.000 0.204 214 K C 1.008 177.582 176.600 -0.044 0.000 1.048 214 K CA 1.800 58.066 56.287 -0.036 0.000 0.940 214 K CB -0.179 32.291 32.500 -0.050 0.000 0.729 214 K HN 0.312 nan 8.250 nan 0.000 0.451 215 E N 1.482 121.546 120.200 -0.227 0.000 2.465 215 E HA 0.057 4.407 4.350 0.001 0.000 0.195 215 E C -0.683 175.816 176.600 -0.169 0.000 1.028 215 E CA -0.358 55.730 56.400 -0.519 0.000 0.899 215 E CB 0.808 30.040 29.700 -0.780 0.000 1.032 215 E HN 0.255 nan 8.360 nan 0.000 0.468 216 S N 0.436 116.164 115.700 0.046 0.000 2.531 216 S HA 0.122 4.593 4.470 0.001 0.000 0.279 216 S C 1.245 175.940 174.600 0.158 0.000 1.305 216 S CA -0.392 57.877 58.200 0.116 0.000 1.058 216 S CB 0.475 63.796 63.200 0.200 0.000 0.899 216 S HN 0.219 nan 8.310 nan 0.000 0.493 217 I N 4.907 125.441 120.570 -0.060 0.000 2.179 217 I HA -0.170 4.000 4.170 0.001 0.000 0.242 217 I C 2.729 178.723 176.117 -0.205 0.000 1.088 217 I CA 1.265 62.297 61.300 -0.447 0.000 1.357 217 I CB -0.227 37.276 38.000 -0.828 0.000 1.051 217 I HN 0.702 nan 8.210 nan 0.000 0.409 218 R N -0.560 119.890 120.500 -0.085 0.000 2.096 218 R HA -0.229 4.111 4.340 0.001 0.000 0.235 218 R C 2.354 178.696 176.300 0.071 0.000 1.127 218 R CA 1.698 57.794 56.100 -0.007 0.000 0.968 218 R CB -0.663 29.637 30.300 0.001 0.000 0.861 218 R HN 0.441 nan 8.270 nan 0.000 0.440 219 H N 1.151 120.253 119.070 0.053 0.000 2.290 219 H HA -0.049 4.507 4.556 0.001 0.000 0.298 219 H C 1.776 177.181 175.328 0.128 0.000 1.087 219 H CA 1.895 57.992 56.048 0.082 0.000 1.291 219 H CB -0.058 29.781 29.762 0.128 0.000 1.369 219 H HN 0.120 nan 8.280 nan 0.000 0.492 220 N N 0.035 118.837 118.700 0.170 0.000 2.216 220 N HA -0.120 4.621 4.740 0.001 0.000 0.183 220 N C 2.034 177.682 175.510 0.229 0.000 1.017 220 N CA 0.931 54.120 53.050 0.232 0.000 0.861 220 N CB -0.241 38.584 38.487 0.563 0.000 0.986 220 N HN 0.288 nan 8.380 nan 0.000 0.428 221 L N 1.507 122.901 121.223 0.286 0.000 1.990 221 L HA -0.163 4.178 4.340 0.001 0.000 0.213 221 L C 2.155 179.076 176.870 0.085 0.000 1.072 221 L CA 1.482 56.468 54.840 0.243 0.000 0.755 221 L CB -0.660 41.514 42.059 0.191 0.000 0.889 221 L HN -0.105 nan 8.230 nan 0.000 0.432 222 V N -0.944 118.975 119.914 0.009 0.000 2.307 222 V HA -0.245 3.876 4.120 0.001 0.000 0.245 222 V C 2.416 178.431 176.094 -0.131 0.000 1.045 222 V CA 1.574 63.843 62.300 -0.052 0.000 1.024 222 V CB -0.687 31.086 31.823 -0.084 0.000 0.651 222 V HN 0.497 nan 8.190 nan 0.000 0.449 223 L N 1.053 122.160 121.223 -0.193 0.000 2.012 223 L HA -0.193 4.148 4.340 0.001 0.000 0.210 223 L C 2.212 179.005 176.870 -0.128 0.000 1.073 223 L CA 2.129 56.849 54.840 -0.200 0.000 0.748 223 L CB -0.989 40.928 42.059 -0.237 0.000 0.891 223 L HN 0.319 nan 8.230 nan 0.000 0.431 224 N N -0.207 118.466 118.700 -0.044 0.000 2.120 224 N HA -0.206 4.535 4.740 0.001 0.000 0.188 224 N C 1.850 177.332 175.510 -0.047 0.000 1.024 224 N CA 1.343 54.382 53.050 -0.018 0.000 0.852 224 N CB -0.326 38.173 38.487 0.021 0.000 1.003 224 N HN 0.283 nan 8.380 nan 0.000 0.424 225 K N 1.278 121.650 120.400 -0.046 0.000 2.057 225 K HA 0.060 4.380 4.320 0.001 0.000 0.207 225 K C 1.920 178.468 176.600 -0.086 0.000 1.049 225 K CA 0.895 57.156 56.287 -0.044 0.000 0.931 225 K CB -0.386 32.108 32.500 -0.009 0.000 0.714 225 K HN 0.130 nan 8.250 nan 0.000 0.440 226 L N -0.039 121.056 121.223 -0.213 0.000 2.093 226 L HA -0.135 4.205 4.340 0.001 0.000 0.208 226 L C 2.221 178.884 176.870 -0.344 0.000 1.085 226 L CA 1.539 56.131 54.840 -0.412 0.000 0.755 226 L CB -0.838 40.558 42.059 -1.104 0.000 0.904 226 L HN 0.226 nan 8.230 nan 0.000 0.435 227 T N -0.570 113.828 114.554 -0.260 0.000 2.635 227 T HA -0.285 4.065 4.350 0.001 0.000 0.267 227 T C 1.774 176.518 174.700 0.073 0.000 1.040 227 T CA 2.004 64.122 62.100 0.029 0.000 1.156 227 T CB -0.167 68.728 68.868 0.045 0.000 0.863 227 T HN 0.292 nan 8.240 nan 0.000 0.430 228 E N 0.896 121.104 120.200 0.013 0.000 2.051 228 E HA -0.146 4.204 4.350 0.001 0.000 0.192 228 E C 2.297 178.897 176.600 -0.001 0.000 0.991 228 E CA 1.159 57.562 56.400 0.006 0.000 0.799 228 E CB -0.108 29.579 29.700 -0.022 0.000 0.748 228 E HN 0.337 nan 8.360 nan 0.000 0.449 229 E N -0.639 119.550 120.200 -0.019 0.000 2.153 229 E HA -0.169 4.182 4.350 0.001 0.000 0.194 229 E C 0.880 177.337 176.600 -0.240 0.000 0.988 229 E CA 0.946 57.267 56.400 -0.131 0.000 0.811 229 E CB -0.082 29.523 29.700 -0.157 0.000 0.746 229 E HN 0.485 nan 8.360 nan 0.000 0.466 230 Y N 0.471 120.806 120.300 0.060 0.000 2.658 230 Y HA 0.182 4.732 4.550 0.001 0.000 0.276 230 Y C 0.671 176.634 175.900 0.104 0.000 1.167 230 Y CA -0.365 57.808 58.100 0.121 0.000 1.230 230 Y CB 0.276 38.901 38.460 0.275 0.000 1.144 230 Y HN -0.272 nan 8.280 nan 0.000 0.529 231 K N 0.696 121.182 120.400 0.145 0.000 2.472 231 K HA 0.124 4.444 4.320 0.001 0.000 0.280 231 K C 1.200 177.856 176.600 0.094 0.000 1.028 231 K CA 1.276 57.629 56.287 0.110 0.000 1.045 231 K CB 0.019 32.553 32.500 0.056 0.000 0.902 231 K HN 0.653 nan 8.250 nan 0.000 0.478 232 G N 3.080 111.938 108.800 0.096 0.000 2.184 232 G HA2 -0.299 3.662 3.960 0.001 0.000 0.264 232 G HA3 -0.299 3.662 3.960 0.001 0.000 0.264 232 G C 0.563 175.517 174.900 0.091 0.000 0.975 232 G CA 0.791 45.937 45.100 0.077 0.000 0.642 232 G HN 0.746 nan 8.290 nan 0.000 0.536 233 Q N -1.503 118.378 119.800 0.135 0.000 2.577 233 Q HA 0.260 4.601 4.340 0.001 0.000 0.242 233 Q C 1.116 177.207 176.000 0.152 0.000 0.818 233 Q CA 0.110 56.005 55.803 0.153 0.000 0.962 233 Q CB 1.027 29.891 28.738 0.210 0.000 1.272 233 Q HN 0.480 nan 8.270 nan 0.000 0.593 234 R N 0.566 121.170 120.500 0.173 0.000 2.740 234 R HA 0.407 4.748 4.340 0.001 0.000 0.273 234 R C -1.549 174.783 176.300 0.053 0.000 0.998 234 R CA -0.706 55.410 56.100 0.026 0.000 0.900 234 R CB 1.727 31.847 30.300 -0.301 0.000 1.223 234 R HN -0.024 nan 8.270 nan 0.000 0.466 235 D N 1.340 121.700 120.400 -0.067 0.000 2.185 235 D HA 0.383 5.023 4.640 0.001 0.000 0.247 235 D C -0.769 175.399 176.300 -0.220 0.000 1.027 235 D CA 0.048 54.043 54.000 -0.008 0.000 0.861 235 D CB 1.366 42.169 40.800 0.005 0.000 1.202 235 D HN 0.134 nan 8.370 nan 0.000 0.453 236 F N 0.780 120.734 119.950 0.006 0.000 2.538 236 F HA 0.378 4.905 4.527 0.001 0.000 0.325 236 F C 0.696 176.509 175.800 0.022 0.000 1.066 236 F CA -0.587 57.411 58.000 -0.005 0.000 0.946 236 F CB 1.813 40.803 39.000 -0.016 0.000 1.199 236 F HN 0.225 nan 8.300 nan 0.000 0.473 237 Q N -0.019 119.899 119.800 0.197 0.000 2.737 237 Q HA 0.334 4.674 4.340 0.001 0.000 0.307 237 Q C -1.610 174.503 176.000 0.188 0.000 0.905 237 Q CA -1.278 54.623 55.803 0.163 0.000 0.753 237 Q CB 1.675 30.474 28.738 0.101 0.000 1.463 237 Q HN 0.609 nan 8.270 nan 0.000 0.455 238 Q N 0.840 120.766 119.800 0.210 0.000 2.352 238 Q HA 0.263 4.604 4.340 0.001 0.000 0.260 238 Q C -0.549 175.516 176.000 0.108 0.000 0.976 238 Q CA -0.240 55.692 55.803 0.215 0.000 0.881 238 Q CB 0.575 29.405 28.738 0.154 0.000 1.235 238 Q HN 0.574 nan 8.270 nan 0.000 0.419 239 I N 6.392 127.005 120.570 0.071 0.000 2.752 239 I HA -0.044 4.127 4.170 0.001 0.000 0.289 239 I C -1.980 174.154 176.117 0.028 0.000 1.197 239 I CA -1.430 59.889 61.300 0.031 0.000 1.432 239 I CB 0.264 38.248 38.000 -0.027 0.000 1.359 239 I HN 0.450 nan 8.210 nan 0.000 0.571 240 P HA 0.236 nan 4.420 nan 0.000 0.271 240 P C -0.948 176.345 177.300 -0.011 0.000 1.226 240 P CA 0.128 63.231 63.100 0.005 0.000 0.765 240 P CB 0.457 32.148 31.700 -0.017 0.000 0.835 241 L N 2.381 123.609 121.223 0.008 0.000 2.386 241 L HA 0.632 4.973 4.340 0.001 0.000 0.271 241 L C 0.264 177.128 176.870 -0.009 0.000 0.993 241 L CA -1.167 53.675 54.840 0.003 0.000 0.819 241 L CB 2.162 44.293 42.059 0.120 0.000 1.294 241 L HN 0.244 nan 8.230 nan 0.000 0.414 242 A N 3.152 125.922 122.820 -0.083 0.000 2.666 242 A HA 0.758 5.079 4.320 0.001 0.000 0.312 242 A C 0.016 177.619 177.584 0.030 0.000 1.471 242 A CA 0.088 52.114 52.037 -0.018 0.000 1.134 242 A CB -0.342 18.580 19.000 -0.130 0.000 1.129 242 A HN 0.785 nan 8.150 nan 0.000 0.539 243 A N 1.824 124.634 122.820 -0.016 0.000 2.590 243 A HA 0.724 5.044 4.320 0.001 0.000 0.296 243 A C -0.500 176.975 177.584 -0.182 0.000 1.050 243 A CA -0.476 51.455 52.037 -0.177 0.000 0.697 243 A CB 0.754 19.467 19.000 -0.479 0.000 1.277 243 A HN 0.632 nan 8.150 nan 0.000 0.411 244 T N 1.482 115.902 114.554 -0.223 0.000 2.840 244 T HA 0.492 4.842 4.350 0.001 0.000 0.287 244 T C -0.015 174.544 174.700 -0.236 0.000 0.991 244 T CA -0.436 61.560 62.100 -0.174 0.000 0.964 244 T CB 1.213 70.035 68.868 -0.076 0.000 0.954 244 T HN 0.720 nan 8.240 nan 0.000 0.438 245 R N 2.283 122.629 120.500 -0.256 0.000 2.442 245 R HA 0.226 4.567 4.340 0.001 0.000 0.291 245 R C 0.779 176.999 176.300 -0.133 0.000 1.069 245 R CA -0.350 55.596 56.100 -0.256 0.000 1.022 245 R CB 0.372 30.481 30.300 -0.319 0.000 0.976 245 R HN 0.411 nan 8.270 nan 0.000 0.443 246 R N 1.086 121.556 120.500 -0.050 0.000 2.225 246 R HA 0.131 4.471 4.340 0.001 0.000 0.194 246 R C 0.171 176.435 176.300 -0.060 0.000 0.957 246 R CA 0.637 56.711 56.100 -0.044 0.000 1.042 246 R CB 0.368 30.643 30.300 -0.041 0.000 1.004 246 R HN 0.760 nan 8.270 nan 0.000 0.509 247 S N -1.459 114.222 115.700 -0.033 0.000 2.611 247 S HA 0.366 4.837 4.470 0.001 0.000 0.268 247 S C -2.634 171.934 174.600 -0.054 0.000 1.156 247 S CA -1.056 57.122 58.200 -0.038 0.000 0.817 247 S CB 2.147 65.341 63.200 -0.009 0.000 1.122 247 S HN -0.265 nan 8.310 nan 0.000 0.466 248 P HA 0.010 nan 4.420 nan 0.000 0.221 248 P C 0.923 178.196 177.300 -0.044 0.000 1.145 248 P CA 1.770 64.830 63.100 -0.067 0.000 0.795 248 P CB -0.166 31.511 31.700 -0.038 0.000 0.775 249 T N -6.590 107.970 114.554 0.010 0.000 3.288 249 T HA 0.330 4.681 4.350 0.001 0.000 0.293 249 T C -0.380 174.382 174.700 0.102 0.000 1.008 249 T CA -0.412 61.713 62.100 0.043 0.000 0.929 249 T CB -0.722 68.186 68.868 0.068 0.000 1.152 249 T HN -0.145 nan 8.240 nan 0.000 0.517 250 F N 1.519 121.409 119.950 -0.101 0.000 2.585 250 F HA 0.646 5.174 4.527 0.001 0.000 0.319 250 F C -1.548 174.120 175.800 -0.220 0.000 1.165 250 F CA -1.155 56.780 58.000 -0.109 0.000 0.949 250 F CB 1.952 40.905 39.000 -0.079 0.000 1.218 250 F HN -0.066 nan 8.300 nan 0.000 0.453 251 V N 5.446 125.092 119.914 -0.447 0.000 2.409 251 V HA 0.275 4.395 4.120 0.001 0.000 0.291 251 V C -0.268 175.342 176.094 -0.806 0.000 1.020 251 V CA -0.822 61.090 62.300 -0.647 0.000 0.848 251 V CB 1.569 32.794 31.823 -0.995 0.000 0.990 251 V HN 0.718 nan 8.190 nan 0.000 0.430 252 E N 4.863 124.856 120.200 -0.344 0.000 1.996 252 E HA 0.137 4.488 4.350 0.001 0.000 0.280 252 E C -1.027 175.382 176.600 -0.319 0.000 1.092 252 E CA -0.572 55.744 56.400 -0.140 0.000 0.862 252 E CB 0.425 30.223 29.700 0.163 0.000 1.066 252 E HN 0.636 nan 8.360 nan 0.000 0.396 253 W N 2.946 124.153 121.300 -0.155 0.000 2.190 253 W HA 0.119 4.779 4.660 0.001 0.000 0.330 253 W C 0.655 177.189 176.519 0.024 0.000 1.299 253 W CA -0.543 56.674 57.345 -0.212 0.000 1.215 253 W CB 0.807 29.881 29.460 -0.644 0.000 1.147 253 W HN 0.315 nan 8.180 nan 0.000 0.563 254 S N 1.609 117.506 115.700 0.329 0.000 2.614 254 S HA 0.612 5.082 4.470 0.001 0.000 0.265 254 S C 0.132 175.173 174.600 0.735 0.000 1.303 254 S CA -0.612 57.859 58.200 0.453 0.000 1.000 254 S CB 1.105 64.572 63.200 0.446 0.000 0.935 254 S HN 0.509 nan 8.310 nan 0.000 0.551 255 S N -0.329 115.753 115.700 0.638 0.000 2.727 255 S HA 0.698 5.169 4.470 0.001 0.000 0.278 255 S C 0.831 175.641 174.600 0.349 0.000 1.186 255 S CA -0.360 58.154 58.200 0.523 0.000 0.836 255 S CB 0.528 63.955 63.200 0.377 0.000 1.186 255 S HN 0.734 nan 8.310 nan 0.000 0.499 256 A N 1.725 124.640 122.820 0.158 0.000 1.915 256 A HA -0.252 4.068 4.320 0.001 0.000 0.220 256 A C 2.011 179.643 177.584 0.079 0.000 1.198 256 A CA 2.382 54.465 52.037 0.076 0.000 0.647 256 A CB -1.653 17.362 19.000 0.026 0.000 0.825 256 A HN 0.887 nan 8.150 nan 0.000 0.456 257 N N -0.795 117.960 118.700 0.092 0.000 2.205 257 N HA -0.154 4.586 4.740 0.001 0.000 0.186 257 N C 1.570 177.104 175.510 0.041 0.000 1.015 257 N CA 2.024 55.100 53.050 0.044 0.000 0.862 257 N CB -0.234 38.292 38.487 0.064 0.000 0.986 257 N HN 0.515 nan 8.380 nan 0.000 0.429 258 T N 0.512 115.141 114.554 0.125 0.000 2.746 258 T HA -0.073 4.277 4.350 0.001 0.000 0.267 258 T C 2.102 176.833 174.700 0.051 0.000 1.039 258 T CA 1.228 63.405 62.100 0.128 0.000 1.142 258 T CB -0.309 68.713 68.868 0.256 0.000 0.866 258 T HN 0.050 nan 8.240 nan 0.000 0.444 259 V N -0.418 119.507 119.914 0.019 0.000 2.307 259 V HA 0.126 4.247 4.120 0.001 0.000 0.245 259 V C 0.539 176.583 176.094 -0.083 0.000 1.045 259 V CA 1.014 63.242 62.300 -0.120 0.000 1.024 259 V CB -0.415 31.296 31.823 -0.188 0.000 0.651 259 V HN 0.501 nan 8.190 nan 0.000 0.449 260 F N 0.888 120.712 119.950 -0.210 0.000 2.651 260 F HA 0.368 4.896 4.527 0.001 0.000 0.329 260 F C 0.222 175.904 175.800 -0.196 0.000 1.186 260 F CA -1.662 56.185 58.000 -0.254 0.000 1.046 260 F CB 1.310 40.108 39.000 -0.336 0.000 1.296 260 F HN 0.155 nan 8.300 nan 0.000 0.497 261 D N 4.929 124.868 120.400 -0.768 0.000 2.378 261 D HA -0.080 4.561 4.640 0.001 0.000 0.222 261 D C 1.209 177.215 176.300 -0.489 0.000 0.980 261 D CA 1.195 54.896 54.000 -0.499 0.000 0.907 261 D CB -0.066 40.501 40.800 -0.389 0.000 0.899 261 D HN 0.695 nan 8.370 nan 0.000 0.527 262 L N -2.020 118.727 121.223 -0.793 0.000 4.625 262 L HA -0.240 4.100 4.340 0.001 0.000 0.428 262 L C -0.238 176.582 176.870 -0.083 0.000 1.129 262 L CA 0.438 55.092 54.840 -0.309 0.000 0.978 262 L CB -1.349 40.696 42.059 -0.023 0.000 2.043 262 L HN 0.223 nan 8.230 nan 0.000 0.847 263 Q N 0.984 120.640 119.800 -0.240 0.000 2.304 263 Q HA 0.230 4.570 4.340 0.001 0.000 0.260 263 Q C 0.397 176.456 176.000 0.099 0.000 0.965 263 Q CA -0.014 55.743 55.803 -0.076 0.000 0.898 263 Q CB 0.681 29.341 28.738 -0.131 0.000 1.196 263 Q HN 0.136 nan 8.270 nan 0.000 0.402 264 N N 2.102 120.854 118.700 0.087 0.000 2.395 264 N HA 0.031 4.771 4.740 0.001 0.000 0.246 264 N C -0.273 175.301 175.510 0.105 0.000 1.246 264 N CA 0.491 53.597 53.050 0.094 0.000 0.879 264 N CB 0.541 38.985 38.487 -0.071 0.000 1.098 264 N HN 0.261 nan 8.380 nan 0.000 0.444 265 R N 1.256 121.848 120.500 0.152 0.000 2.744 265 R HA 0.498 4.838 4.340 0.001 0.000 0.279 265 R C -2.524 173.829 176.300 0.088 0.000 0.977 265 R CA -1.607 54.569 56.100 0.127 0.000 0.906 265 R CB 1.643 32.047 30.300 0.174 0.000 1.197 265 R HN 0.345 nan 8.270 nan 0.000 0.463 266 P HA 0.128 nan 4.420 nan 0.000 0.271 266 P C -1.249 176.104 177.300 0.088 0.000 1.218 266 P CA -0.324 62.861 63.100 0.141 0.000 0.780 266 P CB 0.655 32.495 31.700 0.233 0.000 0.901 267 N N -1.411 117.331 118.700 0.069 0.000 3.204 267 N HA 0.273 5.014 4.740 0.001 0.000 0.285 267 N C 0.418 175.946 175.510 0.029 0.000 1.536 267 N CA -0.739 52.334 53.050 0.037 0.000 0.832 267 N CB -0.493 38.003 38.487 0.015 0.000 1.645 267 N HN 0.013 nan 8.380 nan 0.000 0.586 268 T N -0.788 113.773 114.554 0.012 0.000 2.788 268 T HA -0.086 4.264 4.350 0.001 0.000 0.268 268 T C 0.308 175.009 174.700 0.002 0.000 1.044 268 T CA 1.543 63.646 62.100 0.005 0.000 1.139 268 T CB -0.450 68.416 68.868 -0.002 0.000 0.867 268 T HN 0.491 nan 8.240 nan 0.000 0.454 269 D N 0.972 121.370 120.400 -0.003 0.000 2.289 269 D HA 0.163 4.804 4.640 0.001 0.000 0.207 269 D C 0.925 177.227 176.300 0.005 0.000 0.966 269 D CA 0.453 54.448 54.000 -0.008 0.000 0.868 269 D CB 0.154 40.940 40.800 -0.025 0.000 0.943 269 D HN 0.385 nan 8.370 nan 0.000 0.514 270 A N 1.171 124.004 122.820 0.020 0.000 3.355 270 A HA 0.305 4.625 4.320 0.001 0.000 0.290 270 A C -1.879 175.753 177.584 0.080 0.000 0.973 270 A CA -0.822 51.242 52.037 0.047 0.000 0.933 270 A CB 0.867 19.897 19.000 0.050 0.000 1.138 270 A HN -0.139 nan 8.150 nan 0.000 0.490 271 P HA -0.125 nan 4.420 nan 0.000 0.223 271 P C 0.575 177.966 177.300 0.151 0.000 1.151 271 P CA 1.195 64.344 63.100 0.083 0.000 0.787 271 P CB 0.350 32.065 31.700 0.026 0.000 0.788 272 E N -0.511 119.786 120.200 0.163 0.000 2.474 272 E HA 0.093 4.444 4.350 0.001 0.000 0.195 272 E C 0.300 177.128 176.600 0.380 0.000 1.039 272 E CA -0.063 56.508 56.400 0.284 0.000 0.881 272 E CB 0.260 30.041 29.700 0.135 0.000 0.970 272 E HN 0.471 nan 8.360 nan 0.000 0.486 273 E N 1.033 121.381 120.200 0.246 0.000 2.250 273 E HA 0.420 4.770 4.350 0.001 0.000 0.269 273 E C -0.290 176.365 176.600 0.091 0.000 1.018 273 E CA -0.536 55.954 56.400 0.151 0.000 0.873 273 E CB 1.415 31.196 29.700 0.136 0.000 1.134 273 E HN -0.098 nan 8.360 nan 0.000 0.403 274 R N 1.927 122.446 120.500 0.033 0.000 2.468 274 R HA 0.393 4.733 4.340 0.001 0.000 0.302 274 R C -1.583 174.800 176.300 0.138 0.000 1.041 274 R CA -0.511 55.574 56.100 -0.025 0.000 0.899 274 R CB 0.898 31.064 30.300 -0.224 0.000 1.167 274 R HN 0.383 nan 8.270 nan 0.000 0.483 275 F N 2.289 122.226 119.950 -0.020 0.000 2.605 275 F HA 0.429 4.957 4.527 0.001 0.000 0.320 275 F C -1.621 174.121 175.800 -0.097 0.000 1.159 275 F CA -0.733 57.252 58.000 -0.025 0.000 0.999 275 F CB 1.896 40.955 39.000 0.098 0.000 1.258 275 F HN 0.353 nan 8.300 nan 0.000 0.464 276 N N 4.955 123.020 118.700 -1.059 0.000 2.354 276 N HA 0.560 5.300 4.740 0.001 0.000 0.287 276 N C -1.892 172.605 175.510 -1.688 0.000 1.016 276 N CA -0.625 51.719 53.050 -1.177 0.000 0.871 276 N CB 2.231 40.202 38.487 -0.861 0.000 1.299 276 N HN 0.571 nan 8.380 nan 0.000 0.482 277 L N 2.799 123.232 121.223 -1.316 0.000 2.275 277 L HA 0.598 4.938 4.340 0.001 0.000 0.288 277 L C -1.552 174.764 176.870 -0.923 0.000 1.046 277 L CA -0.187 54.133 54.840 -0.866 0.000 0.805 277 L CB 0.040 41.944 42.059 -0.259 0.000 1.193 277 L HN 0.452 nan 8.230 nan 0.000 0.426 278 F N 6.713 126.377 119.950 -0.475 0.000 2.359 278 F HA 0.525 5.052 4.527 0.001 0.000 0.370 278 F C -2.068 173.656 175.800 -0.126 0.000 1.077 278 F CA -2.050 55.764 58.000 -0.309 0.000 1.136 278 F CB 0.590 39.342 39.000 -0.413 0.000 1.387 278 F HN 0.435 nan 8.300 nan 0.000 0.468 279 P HA 0.284 nan 4.420 nan 0.000 0.277 279 P C -0.041 177.309 177.300 0.083 0.000 1.271 279 P CA -0.310 62.823 63.100 0.054 0.000 0.795 279 P CB 0.900 32.612 31.700 0.021 0.000 1.101 280 A N -1.277 121.578 122.820 0.057 0.000 2.704 280 A HA -0.105 4.215 4.320 0.001 0.000 0.299 280 A C -0.037 177.574 177.584 0.044 0.000 1.507 280 A CA 0.763 52.827 52.037 0.045 0.000 0.776 280 A CB -2.404 16.622 19.000 0.043 0.000 1.027 280 A HN 0.253 nan 8.150 nan 0.000 0.475 281 V N -0.202 119.755 119.914 0.072 0.000 2.407 281 V HA 0.650 4.770 4.120 0.001 0.000 0.291 281 V C 0.624 176.720 176.094 0.003 0.000 1.018 281 V CA -0.308 62.033 62.300 0.069 0.000 0.842 281 V CB 1.514 33.473 31.823 0.227 0.000 0.996 281 V HN 1.424 nan 8.190 nan 0.000 0.426 282 A N 4.314 127.106 122.820 -0.047 0.000 2.350 282 A HA 0.417 4.737 4.320 0.001 0.000 0.293 282 A C 0.199 177.746 177.584 -0.062 0.000 1.231 282 A CA -0.181 51.813 52.037 -0.073 0.000 0.883 282 A CB -0.223 18.775 19.000 -0.003 0.000 1.133 282 A HN 0.879 nan 8.150 nan 0.000 0.533 283 C N 2.991 122.233 119.300 -0.098 0.000 2.482 283 C HA 0.309 4.770 4.460 0.001 0.000 0.378 283 C C 1.349 176.300 174.990 -0.064 0.000 1.284 283 C CA -0.223 58.727 59.018 -0.113 0.000 1.826 283 C CB -0.642 27.021 27.740 -0.128 0.000 2.473 283 C HN 0.999 nan 8.230 nan 0.000 0.562 284 E N 1.085 121.279 120.200 -0.010 0.000 2.364 284 E HA 0.095 4.445 4.350 0.001 0.000 0.203 284 E C 0.425 177.033 176.600 0.014 0.000 0.888 284 E CA 0.255 56.676 56.400 0.036 0.000 0.989 284 E CB 0.501 30.289 29.700 0.147 0.000 0.985 284 E HN 0.798 nan 8.360 nan 0.000 0.499 285 R N -0.203 120.313 120.500 0.027 0.000 2.709 285 R HA 0.385 4.725 4.340 0.001 0.000 0.270 285 R C -1.042 175.246 176.300 -0.019 0.000 1.038 285 R CA -0.857 55.237 56.100 -0.011 0.000 0.872 285 R CB 0.815 31.097 30.300 -0.029 0.000 1.259 285 R HN -0.075 nan 8.270 nan 0.000 0.473 286 V N -0.529 119.355 119.914 -0.049 0.000 2.532 286 V HA 0.674 4.795 4.120 0.001 0.000 0.295 286 V C -0.038 176.005 176.094 -0.084 0.000 1.041 286 V CA -0.879 61.357 62.300 -0.107 0.000 0.926 286 V CB 1.703 33.427 31.823 -0.166 0.000 0.992 286 V HN 0.509 nan 8.190 nan 0.000 0.457 287 V N 5.404 125.249 119.914 -0.115 0.000 2.383 287 V HA 0.469 4.589 4.120 0.001 0.000 0.275 287 V C 0.577 176.638 176.094 -0.056 0.000 1.036 287 V CA -0.430 61.825 62.300 -0.076 0.000 0.889 287 V CB 0.963 32.754 31.823 -0.055 0.000 0.985 287 V HN 0.936 nan 8.190 nan 0.000 0.459 288 R N 3.738 124.221 120.500 -0.029 0.000 2.459 288 R HA 0.332 4.673 4.340 0.001 0.000 0.281 288 R C 0.264 176.585 176.300 0.035 0.000 1.050 288 R CA -0.634 55.505 56.100 0.065 0.000 1.055 288 R CB 0.796 31.106 30.300 0.017 0.000 1.045 288 R HN 0.866 nan 8.270 nan 0.000 0.495 289 N N 1.393 120.128 118.700 0.057 0.000 2.354 289 N HA -0.009 4.732 4.740 0.001 0.000 0.246 289 N C 0.548 176.045 175.510 -0.022 0.000 1.285 289 N CA 0.144 53.197 53.050 0.005 0.000 0.925 289 N CB 0.516 39.002 38.487 -0.002 0.000 1.174 289 N HN 0.577 nan 8.380 nan 0.000 0.478 290 A N 0.559 123.361 122.820 -0.031 0.000 1.972 290 A HA -0.068 4.252 4.320 0.001 0.000 0.219 290 A C 2.207 179.757 177.584 -0.057 0.000 1.169 290 A CA 0.969 52.982 52.037 -0.040 0.000 0.635 290 A CB -0.811 18.169 19.000 -0.033 0.000 0.810 290 A HN 0.655 nan 8.150 nan 0.000 0.446 291 L N -0.982 120.197 121.223 -0.073 0.000 2.478 291 L HA -0.039 4.301 4.340 0.001 0.000 0.223 291 L C 0.082 176.848 176.870 -0.173 0.000 1.140 291 L CA 0.117 54.896 54.840 -0.101 0.000 0.842 291 L CB -0.399 41.603 42.059 -0.095 0.000 0.953 291 L HN 0.411 nan 8.230 nan 0.000 0.452 292 N N -0.086 118.489 118.700 -0.208 0.000 2.738 292 N HA -0.174 4.567 4.740 0.001 0.000 0.249 292 N C 0.839 175.710 175.510 -1.065 0.000 1.047 292 N CA 1.024 53.823 53.050 -0.417 0.000 0.707 292 N CB -1.249 37.149 38.487 -0.148 0.000 0.937 292 N HN 0.532 nan 8.380 nan 0.000 0.545 293 S N -2.139 113.080 115.700 -0.801 0.000 2.604 293 S HA 0.270 4.741 4.470 0.001 0.000 0.235 293 S C 0.253 174.628 174.600 -0.376 0.000 1.043 293 S CA -0.206 57.623 58.200 -0.617 0.000 0.997 293 S CB 1.601 64.647 63.200 -0.257 0.000 0.956 293 S HN 0.352 nan 8.310 nan 0.000 0.535 294 E N 0.443 120.525 120.200 -0.195 0.000 2.363 294 E HA 0.409 4.759 4.350 0.001 0.000 0.281 294 E C -1.661 175.114 176.600 0.291 0.000 0.953 294 E CA -0.785 55.708 56.400 0.156 0.000 0.778 294 E CB 1.393 31.150 29.700 0.095 0.000 1.220 294 E HN 0.114 nan 8.360 nan 0.000 0.431 295 I N 3.583 124.295 120.570 0.237 0.000 2.395 295 I HA 0.119 4.290 4.170 0.001 0.000 0.289 295 I C 0.945 176.983 176.117 -0.131 0.000 1.023 295 I CA 0.117 61.376 61.300 -0.069 0.000 1.350 295 I CB 1.226 38.956 38.000 -0.450 0.000 1.409 295 I HN 0.688 nan 8.210 nan 0.000 0.507 296 E N 3.234 123.359 120.200 -0.125 0.000 2.340 296 E HA 0.085 4.436 4.350 0.001 0.000 0.198 296 E C 0.263 176.879 176.600 0.027 0.000 0.961 296 E CA 0.416 56.814 56.400 -0.003 0.000 0.905 296 E CB 0.563 30.272 29.700 0.016 0.000 0.884 296 E HN 0.737 nan 8.360 nan 0.000 0.491 297 S N -0.499 115.142 115.700 -0.098 0.000 2.615 297 S HA 0.473 4.943 4.470 0.001 0.000 0.268 297 S C -1.507 173.059 174.600 -0.056 0.000 1.146 297 S CA -1.046 57.179 58.200 0.042 0.000 0.818 297 S CB 1.228 64.481 63.200 0.089 0.000 1.111 297 S HN 0.011 nan 8.310 nan 0.000 0.465 298 L N 2.056 123.346 121.223 0.112 0.000 2.305 298 L HA 0.642 4.983 4.340 0.001 0.000 0.284 298 L C -0.729 176.143 176.870 0.003 0.000 1.013 298 L CA -0.148 54.713 54.840 0.036 0.000 0.819 298 L CB 0.960 43.057 42.059 0.064 0.000 1.227 298 L HN 0.995 nan 8.230 nan 0.000 0.417 299 H N 5.461 124.485 119.070 -0.078 0.000 2.604 299 H HA 0.617 5.173 4.556 0.001 0.000 0.306 299 H C -0.555 174.721 175.328 -0.087 0.000 1.075 299 H CA -0.281 55.728 56.048 -0.064 0.000 1.357 299 H CB 0.688 30.417 29.762 -0.055 0.000 1.426 299 H HN 0.650 nan 8.280 nan 0.000 0.470 300 I N 1.799 122.052 120.570 -0.527 0.000 2.740 300 I HA 0.403 4.573 4.170 0.001 0.000 0.303 300 I C -1.185 174.780 176.117 -0.253 0.000 1.044 300 I CA -0.970 60.126 61.300 -0.340 0.000 1.064 300 I CB 2.482 40.262 38.000 -0.366 0.000 1.249 300 I HN 0.658 nan 8.210 nan 0.000 0.433 301 H N 3.972 122.934 119.070 -0.181 0.000 2.800 301 H HA 0.230 4.787 4.556 0.001 0.000 0.322 301 H C -1.417 173.914 175.328 0.005 0.000 0.979 301 H CA -0.673 55.323 56.048 -0.087 0.000 1.277 301 H CB 1.440 31.180 29.762 -0.037 0.000 1.484 301 H HN 0.781 nan 8.280 nan 0.000 0.512 302 D N 5.504 125.908 120.400 0.006 0.000 2.358 302 D HA -0.011 4.629 4.640 0.001 0.000 0.258 302 D C 1.087 177.244 176.300 -0.238 0.000 1.223 302 D CA -0.029 53.956 54.000 -0.024 0.000 0.886 302 D CB 1.003 41.893 40.800 0.148 0.000 1.120 302 D HN 0.684 nan 8.370 nan 0.000 0.482 303 L N 4.228 125.317 121.223 -0.224 0.000 2.395 303 L HA -0.091 4.249 4.340 0.001 0.000 0.218 303 L C 1.847 178.662 176.870 -0.091 0.000 1.130 303 L CA 0.080 54.773 54.840 -0.244 0.000 0.826 303 L CB -0.022 41.982 42.059 -0.092 0.000 0.941 303 L HN 0.504 nan 8.230 nan 0.000 0.451 304 I N -0.543 120.010 120.570 -0.029 0.000 2.296 304 I HA -0.132 4.038 4.170 0.001 0.000 0.242 304 I C 2.764 178.894 176.117 0.021 0.000 1.087 304 I CA 1.598 62.904 61.300 0.009 0.000 1.393 304 I CB -1.312 36.707 38.000 0.031 0.000 1.093 304 I HN 0.246 nan 8.210 nan 0.000 0.421 305 S N 0.578 116.301 115.700 0.039 0.000 2.414 305 S HA 0.068 4.538 4.470 0.001 0.000 0.227 305 S C 1.886 176.518 174.600 0.052 0.000 1.022 305 S CA 0.964 59.199 58.200 0.057 0.000 0.958 305 S CB -0.250 63.008 63.200 0.096 0.000 0.797 305 S HN 0.617 nan 8.310 nan 0.000 0.493 306 G N 0.991 109.820 108.800 0.048 0.000 2.176 306 G HA2 -0.197 3.763 3.960 0.001 0.000 0.253 306 G HA3 -0.197 3.763 3.960 0.001 0.000 0.253 306 G C -0.412 174.581 174.900 0.155 0.000 0.979 306 G CA 0.134 45.313 45.100 0.132 0.000 0.641 306 G HN 0.560 nan 8.290 nan 0.000 0.530 307 D N 0.646 121.082 120.400 0.059 0.000 2.372 307 D HA 0.479 5.119 4.640 0.001 0.000 0.243 307 D C 0.969 177.160 176.300 -0.181 0.000 1.121 307 D CA 0.244 54.167 54.000 -0.128 0.000 0.898 307 D CB 0.540 41.206 40.800 -0.223 0.000 1.202 307 D HN 0.381 nan 8.370 nan 0.000 0.428 308 R N 1.398 121.654 120.500 -0.406 0.000 2.514 308 R HA 0.580 4.920 4.340 0.001 0.000 0.301 308 R C -0.695 175.167 176.300 -0.729 0.000 0.962 308 R CA -0.643 55.218 56.100 -0.398 0.000 0.882 308 R CB 1.151 31.332 30.300 -0.199 0.000 1.143 308 R HN 0.295 nan 8.270 nan 0.000 0.452 309 F N 0.008 119.822 119.950 -0.226 0.000 2.629 309 F HA 0.331 4.859 4.527 0.001 0.000 0.316 309 F C 0.161 175.866 175.800 -0.158 0.000 1.081 309 F CA -1.067 56.846 58.000 -0.144 0.000 0.954 309 F CB 1.695 40.617 39.000 -0.129 0.000 1.337 309 F HN 0.144 nan 8.300 nan 0.000 0.474 310 E N 2.551 122.859 120.200 0.179 0.000 2.113 310 E HA 0.367 4.718 4.350 0.001 0.000 0.273 310 E C -0.747 175.918 176.600 0.108 0.000 0.924 310 E CA -0.366 56.110 56.400 0.128 0.000 0.764 310 E CB 1.732 31.511 29.700 0.132 0.000 1.104 310 E HN 0.291 nan 8.360 nan 0.000 0.406 311 I N 2.335 122.939 120.570 0.057 0.000 2.385 311 I HA 0.295 4.465 4.170 0.001 0.000 0.294 311 I C 0.362 176.585 176.117 0.177 0.000 0.988 311 I CA -0.804 60.544 61.300 0.079 0.000 1.265 311 I CB 1.199 39.181 38.000 -0.030 0.000 1.388 311 I HN 0.270 nan 8.210 nan 0.000 0.480 312 K N 4.302 124.812 120.400 0.184 0.000 2.259 312 K HA 0.844 5.164 4.320 0.001 0.000 0.252 312 K C -1.282 175.400 176.600 0.136 0.000 0.936 312 K CA -0.369 56.045 56.287 0.210 0.000 0.810 312 K CB 2.032 34.618 32.500 0.143 0.000 1.143 312 K HN 0.813 nan 8.250 nan 0.000 0.427 313 A N 2.571 125.413 122.820 0.036 0.000 2.609 313 A HA 0.379 4.700 4.320 0.001 0.000 0.291 313 A C -0.632 176.857 177.584 -0.158 0.000 1.096 313 A CA -0.676 51.234 52.037 -0.212 0.000 0.684 313 A CB 1.126 19.753 19.000 -0.621 0.000 1.282 313 A HN 0.770 nan 8.150 nan 0.000 0.412 314 D N -0.451 119.897 120.400 -0.087 0.000 2.162 314 D HA 0.115 4.756 4.640 0.001 0.000 0.203 314 D C 0.333 176.573 176.300 -0.100 0.000 0.967 314 D CA 1.713 55.738 54.000 0.041 0.000 0.840 314 D CB 0.207 41.097 40.800 0.150 0.000 0.972 314 D HN 0.234 nan 8.370 nan 0.000 0.482 315 V N 0.801 120.490 119.914 -0.374 0.000 2.638 315 V HA 0.265 4.386 4.120 0.001 0.000 0.306 315 V C -1.250 174.582 176.094 -0.436 0.000 1.052 315 V CA -0.885 61.180 62.300 -0.392 0.000 0.885 315 V CB 1.716 33.163 31.823 -0.626 0.000 0.999 315 V HN -0.067 nan 8.190 nan 0.000 0.424 316 Y N 3.141 123.425 120.300 -0.027 0.000 2.328 316 Y HA 0.677 5.228 4.550 0.001 0.000 0.337 316 Y C -0.035 175.824 175.900 -0.068 0.000 0.966 316 Y CA -0.926 57.146 58.100 -0.045 0.000 1.136 316 Y CB 2.000 40.439 38.460 -0.035 0.000 1.170 316 Y HN 0.360 nan 8.280 nan 0.000 0.470 317 V N 5.570 125.440 119.914 -0.073 0.000 2.409 317 V HA 0.382 4.503 4.120 0.001 0.000 0.291 317 V C -0.411 175.546 176.094 -0.228 0.000 1.020 317 V CA -0.929 61.213 62.300 -0.263 0.000 0.848 317 V CB 1.607 33.059 31.823 -0.619 0.000 0.990 317 V HN 0.601 nan 8.190 nan 0.000 0.430 318 L N 5.236 126.323 121.223 -0.226 0.000 2.276 318 L HA 0.546 4.886 4.340 0.001 0.000 0.286 318 L C 0.369 177.134 176.870 -0.174 0.000 1.024 318 L CA -0.151 54.579 54.840 -0.182 0.000 0.826 318 L CB 1.589 43.520 42.059 -0.212 0.000 1.211 318 L HN 0.829 nan 8.230 nan 0.000 0.422 319 T N -1.610 112.876 114.554 -0.112 0.000 3.624 319 T HA 0.356 4.707 4.350 0.001 0.000 0.244 319 T C 0.639 175.345 174.700 0.009 0.000 1.063 319 T CA -0.126 61.950 62.100 -0.040 0.000 1.252 319 T CB 0.993 69.838 68.868 -0.038 0.000 1.021 319 T HN 0.521 nan 8.240 nan 0.000 0.590 320 A N 0.765 123.599 122.820 0.023 0.000 2.345 320 A HA 0.777 5.098 4.320 0.001 0.000 0.225 320 A C 1.387 179.044 177.584 0.122 0.000 1.243 320 A CA 0.094 52.167 52.037 0.061 0.000 0.875 320 A CB -0.706 18.325 19.000 0.052 0.000 0.929 320 A HN 1.717 nan 8.150 nan 0.000 0.502 321 G N -2.492 106.376 108.800 0.114 0.000 2.662 321 G HA2 0.263 4.223 3.960 0.001 0.000 0.686 321 G HA3 0.263 4.223 3.960 0.001 0.000 0.686 321 G C 0.751 175.744 174.900 0.154 0.000 1.271 321 G CA -0.300 44.873 45.100 0.121 0.000 0.816 321 G HN 1.278 nan 8.290 nan 0.000 0.608 322 A N -0.521 122.374 122.820 0.125 0.000 1.972 322 A HA 0.218 4.539 4.320 0.001 0.000 0.219 322 A C 2.617 180.278 177.584 0.129 0.000 1.169 322 A CA 3.176 55.283 52.037 0.118 0.000 0.635 322 A CB -0.305 18.733 19.000 0.063 0.000 0.810 322 A HN 1.574 nan 8.150 nan 0.000 0.446 323 V N -1.134 118.811 119.914 0.052 0.000 2.379 323 V HA -0.170 3.950 4.120 0.001 0.000 0.243 323 V C 2.174 178.289 176.094 0.034 0.000 1.035 323 V CA 2.048 64.345 62.300 -0.005 0.000 1.035 323 V CB -0.955 30.745 31.823 -0.204 0.000 0.673 323 V HN 0.737 nan 8.190 nan 0.000 0.457 324 H N -0.372 118.773 119.070 0.124 0.000 2.512 324 H HA -0.003 4.553 4.556 0.001 0.000 0.279 324 H C 2.256 177.582 175.328 -0.002 0.000 0.999 324 H CA 0.828 56.907 56.048 0.051 0.000 1.283 324 H CB 0.151 29.924 29.762 0.018 0.000 1.421 324 H HN 0.314 nan 8.280 nan 0.000 0.554 325 N N 0.008 118.784 118.700 0.126 0.000 2.069 325 N HA -0.128 4.612 4.740 0.001 0.000 0.191 325 N C 1.793 177.288 175.510 -0.026 0.000 1.031 325 N CA 1.863 54.916 53.050 0.005 0.000 0.852 325 N CB -0.541 37.923 38.487 -0.039 0.000 1.018 325 N HN 0.310 nan 8.380 nan 0.000 0.423 326 T N 0.888 115.507 114.554 0.109 0.000 2.746 326 T HA -0.186 4.165 4.350 0.001 0.000 0.267 326 T C 1.841 176.415 174.700 -0.210 0.000 1.039 326 T CA 1.188 63.347 62.100 0.099 0.000 1.142 326 T CB -0.269 68.802 68.868 0.338 0.000 0.866 326 T HN 0.356 nan 8.240 nan 0.000 0.444 327 Q N 0.126 119.695 119.800 -0.386 0.000 2.061 327 Q HA -0.145 4.195 4.340 0.001 0.000 0.204 327 Q C 2.319 178.038 176.000 -0.468 0.000 0.984 327 Q CA 1.260 56.498 55.803 -0.943 0.000 0.846 327 Q CB -0.271 28.260 28.738 -0.346 0.000 0.902 327 Q HN 0.353 nan 8.270 nan 0.000 0.421 328 L N 0.694 121.783 121.223 -0.223 0.000 2.012 328 L HA -0.178 4.163 4.340 0.001 0.000 0.210 328 L C 2.089 178.876 176.870 -0.138 0.000 1.073 328 L CA 1.613 56.362 54.840 -0.152 0.000 0.748 328 L CB -0.705 41.285 42.059 -0.116 0.000 0.891 328 L HN 0.315 nan 8.230 nan 0.000 0.431 329 L N -1.899 119.223 121.223 -0.167 0.000 1.994 329 L HA -0.227 4.113 4.340 0.001 0.000 0.208 329 L C 2.436 179.342 176.870 0.061 0.000 1.071 329 L CA 1.233 56.008 54.840 -0.109 0.000 0.745 329 L CB -0.755 41.124 42.059 -0.300 0.000 0.892 329 L HN 0.085 nan 8.230 nan 0.000 0.431 330 V N -0.004 119.869 119.914 -0.068 0.000 2.332 330 V HA -0.291 3.830 4.120 0.001 0.000 0.248 330 V C 2.134 178.199 176.094 -0.048 0.000 1.055 330 V CA 2.076 64.356 62.300 -0.034 0.000 1.038 330 V CB -0.766 30.999 31.823 -0.097 0.000 0.651 330 V HN 0.490 nan 8.190 nan 0.000 0.450 331 N N 0.022 118.649 118.700 -0.121 0.000 2.453 331 N HA -0.103 4.637 4.740 0.001 0.000 0.183 331 N C 1.591 177.077 175.510 -0.041 0.000 1.041 331 N CA 1.169 54.172 53.050 -0.078 0.000 0.900 331 N CB -0.082 38.348 38.487 -0.096 0.000 0.961 331 N HN 0.407 nan 8.380 nan 0.000 0.443 332 S N -1.526 114.175 115.700 0.001 0.000 2.556 332 S HA 0.297 4.768 4.470 0.001 0.000 0.216 332 S C 1.129 175.697 174.600 -0.053 0.000 0.970 332 S CA 0.327 58.535 58.200 0.013 0.000 0.912 332 S CB 0.434 63.703 63.200 0.116 0.000 0.790 332 S HN 0.550 nan 8.310 nan 0.000 0.504 333 G N 1.073 109.850 108.800 -0.040 0.000 2.157 333 G HA2 -0.238 3.723 3.960 0.001 0.000 0.239 333 G HA3 -0.238 3.723 3.960 0.001 0.000 0.239 333 G C -0.024 174.785 174.900 -0.151 0.000 0.982 333 G CA -0.470 44.569 45.100 -0.103 0.000 0.650 333 G HN 0.422 nan 8.290 nan 0.000 0.527 334 F N 0.880 120.800 119.950 -0.049 0.000 2.406 334 F HA 0.506 5.033 4.527 0.001 0.000 0.327 334 F C 1.735 177.542 175.800 0.012 0.000 1.153 334 F CA 1.182 59.165 58.000 -0.028 0.000 1.218 334 F CB 0.694 39.648 39.000 -0.077 0.000 1.215 334 F HN 0.745 nan 8.300 nan 0.000 0.570 335 G N 1.696 110.641 108.800 0.241 0.000 2.596 335 G HA2 -0.301 3.659 3.960 0.001 0.000 0.295 335 G HA3 -0.301 3.659 3.960 0.001 0.000 0.295 335 G C -0.675 174.298 174.900 0.123 0.000 1.240 335 G CA 0.351 45.557 45.100 0.176 0.000 0.985 335 G HN 0.890 nan 8.290 nan 0.000 0.555 336 Q N -1.194 118.684 119.800 0.130 0.000 2.289 336 Q HA 0.639 4.979 4.340 0.001 0.000 0.270 336 Q C -1.160 174.923 176.000 0.139 0.000 1.038 336 Q CA -1.016 54.844 55.803 0.096 0.000 0.812 336 Q CB 1.779 30.553 28.738 0.060 0.000 1.300 336 Q HN 0.826 nan 8.270 nan 0.000 0.427 337 L N 3.367 124.661 121.223 0.118 0.000 2.371 337 L HA 0.773 5.114 4.340 0.001 0.000 0.272 337 L C 0.445 177.401 176.870 0.144 0.000 1.124 337 L CA 2.022 56.962 54.840 0.166 0.000 0.816 337 L CB 1.088 43.219 42.059 0.121 0.000 1.129 337 L HN 0.892 nan 8.230 nan 0.000 0.448 338 G N 3.538 112.483 108.800 0.242 0.000 2.728 338 G HA2 -0.211 3.750 3.960 0.001 0.000 0.294 338 G HA3 -0.211 3.750 3.960 0.001 0.000 0.294 338 G C -0.527 174.256 174.900 -0.195 0.000 1.342 338 G CA -0.228 44.964 45.100 0.154 0.000 0.866 338 G HN 0.887 nan 8.290 nan 0.000 0.534 339 R N 0.787 120.936 120.500 -0.586 0.000 2.449 339 R HA 0.391 4.731 4.340 0.001 0.000 0.296 339 R C -1.898 173.958 176.300 -0.740 0.000 1.047 339 R CA -0.684 54.646 56.100 -1.284 0.000 1.018 339 R CB -0.028 29.795 30.300 -0.796 0.000 0.962 339 R HN 0.352 nan 8.270 nan 0.000 0.428 340 P HA -0.082 nan 4.420 nan 0.000 0.263 340 P C -1.251 175.893 177.300 -0.260 0.000 1.175 340 P CA 0.540 63.403 63.100 -0.395 0.000 0.761 340 P CB 0.344 31.833 31.700 -0.352 0.000 0.794 341 N N 3.243 121.847 118.700 -0.159 0.000 2.690 341 N HA 0.184 4.924 4.740 0.001 0.000 0.255 341 N C -1.832 173.636 175.510 -0.070 0.000 1.195 341 N CA -1.718 51.266 53.050 -0.110 0.000 0.790 341 N CB 1.100 39.531 38.487 -0.093 0.000 1.216 341 N HN 0.192 nan 8.380 nan 0.000 0.528 342 P HA -0.019 nan 4.420 nan 0.000 0.229 342 P C 0.611 177.894 177.300 -0.028 0.000 1.160 342 P CA 0.523 63.599 63.100 -0.040 0.000 0.777 342 P CB 0.220 31.896 31.700 -0.041 0.000 0.814 343 A N -0.125 122.676 122.820 -0.033 0.000 2.281 343 A HA 0.069 4.389 4.320 0.001 0.000 0.231 343 A C 0.806 178.376 177.584 -0.022 0.000 1.317 343 A CA 0.164 52.186 52.037 -0.025 0.000 0.959 343 A CB -1.228 17.757 19.000 -0.026 0.000 0.900 343 A HN 0.181 nan 8.150 nan 0.000 0.497 344 N N -0.149 118.538 118.700 -0.022 0.000 3.493 344 N HA 0.051 4.792 4.740 0.001 0.000 0.143 344 N C -3.509 171.994 175.510 -0.012 0.000 1.104 344 N CA -0.421 52.619 53.050 -0.017 0.000 2.174 344 N CB 0.780 39.252 38.487 -0.025 0.000 1.577 344 N HN 0.076 nan 8.380 nan 0.000 0.716 345 P HA 0.331 nan 4.420 nan 0.000 0.274 345 P C -2.558 174.754 177.300 0.020 0.000 1.231 345 P CA -0.649 62.457 63.100 0.011 0.000 0.790 345 P CB -0.010 31.702 31.700 0.019 0.000 0.951 346 P HA 0.106 nan 4.420 nan 0.000 0.274 346 P C 0.834 178.161 177.300 0.046 0.000 1.231 346 P CA -0.187 62.938 63.100 0.042 0.000 0.790 346 P CB 1.143 32.883 31.700 0.065 0.000 0.951 347 E N 2.168 122.388 120.200 0.033 0.000 2.058 347 E HA -0.118 4.233 4.350 0.001 0.000 0.194 347 E C -0.151 176.485 176.600 0.060 0.000 0.997 347 E CA 0.925 57.344 56.400 0.032 0.000 0.801 347 E CB -0.007 29.699 29.700 0.010 0.000 0.746 347 E HN 0.417 nan 8.360 nan 0.000 0.450 348 L N 1.442 122.712 121.223 0.078 0.000 2.322 348 L HA 0.283 4.623 4.340 0.001 0.000 0.281 348 L C -0.068 176.931 176.870 0.215 0.000 1.014 348 L CA -0.838 54.090 54.840 0.145 0.000 0.815 348 L CB 1.706 43.813 42.059 0.081 0.000 1.247 348 L HN 0.235 nan 8.230 nan 0.000 0.421 349 L N 4.560 125.936 121.223 0.256 0.000 3.887 349 L HA -0.194 4.146 4.340 0.001 0.000 0.546 349 L C -1.451 175.533 176.870 0.190 0.000 1.196 349 L CA -0.502 54.483 54.840 0.242 0.000 0.777 349 L CB -0.747 41.477 42.059 0.273 0.000 1.346 349 L HN 0.589 nan 8.230 nan 0.000 0.810 350 P HA -0.098 nan 4.420 nan 0.000 0.226 350 P C 1.190 178.587 177.300 0.161 0.000 1.153 350 P CA 0.941 64.121 63.100 0.132 0.000 0.777 350 P CB 0.334 32.093 31.700 0.100 0.000 0.794 351 S N -0.534 115.281 115.700 0.191 0.000 2.593 351 S HA 0.064 4.534 4.470 0.001 0.000 0.217 351 S C 0.828 175.583 174.600 0.259 0.000 0.966 351 S CA -0.393 57.965 58.200 0.263 0.000 0.914 351 S CB -0.699 62.653 63.200 0.254 0.000 0.776 351 S HN 0.073 nan 8.310 nan 0.000 0.523 352 L N 2.469 123.822 121.223 0.217 0.000 2.513 352 L HA 0.387 4.727 4.340 0.001 0.000 0.272 352 L C 1.164 178.169 176.870 0.226 0.000 1.187 352 L CA 1.022 55.990 54.840 0.213 0.000 0.895 352 L CB -0.441 41.732 42.059 0.190 0.000 1.147 352 L HN 0.345 nan 8.230 nan 0.000 0.483 353 G N 2.572 111.514 108.800 0.236 0.000 2.168 353 G HA2 -0.275 3.686 3.960 0.001 0.000 0.257 353 G HA3 -0.275 3.686 3.960 0.001 0.000 0.257 353 G C 0.417 175.434 174.900 0.195 0.000 0.997 353 G CA 0.466 45.704 45.100 0.229 0.000 0.708 353 G HN 0.832 nan 8.290 nan 0.000 0.520 354 S N -1.759 114.060 115.700 0.198 0.000 2.704 354 S HA 0.655 5.126 4.470 0.001 0.000 0.305 354 S C 0.400 175.130 174.600 0.216 0.000 1.107 354 S CA 0.023 58.277 58.200 0.090 0.000 0.993 354 S CB 0.897 64.079 63.200 -0.030 0.000 1.110 354 S HN 0.911 nan 8.310 nan 0.000 0.534 355 Y N -0.879 119.487 120.300 0.110 0.000 4.177 355 Y HA -0.208 4.342 4.550 0.001 0.000 0.227 355 Y C 0.514 176.493 175.900 0.131 0.000 1.154 355 Y CA 0.240 58.404 58.100 0.105 0.000 1.887 355 Y CB -2.186 36.332 38.460 0.096 0.000 1.594 355 Y HN 0.608 nan 8.280 nan 0.000 0.668 356 I N 0.150 120.863 120.570 0.238 0.000 2.692 356 I HA 0.444 4.614 4.170 0.001 0.000 0.284 356 I C 0.664 176.948 176.117 0.279 0.000 1.159 356 I CA 0.475 61.922 61.300 0.244 0.000 1.423 356 I CB 1.266 39.413 38.000 0.245 0.000 1.380 356 I HN 0.216 nan 8.210 nan 0.000 0.580 357 T N 2.054 116.734 114.554 0.210 0.000 2.863 357 T HA 0.680 5.031 4.350 0.001 0.000 0.285 357 T C -0.655 174.069 174.700 0.040 0.000 1.009 357 T CA -0.685 61.522 62.100 0.179 0.000 0.989 357 T CB 2.043 70.960 68.868 0.081 0.000 1.004 357 T HN 0.821 nan 8.240 nan 0.000 0.455 358 E N 1.253 121.459 120.200 0.010 0.000 2.331 358 E HA 0.340 4.691 4.350 0.001 0.000 0.275 358 E C -1.065 175.652 176.600 0.194 0.000 0.895 358 E CA -0.541 55.817 56.400 -0.070 0.000 0.753 358 E CB 2.042 31.477 29.700 -0.440 0.000 1.216 358 E HN 0.717 nan 8.360 nan 0.000 0.434 359 Q N 1.188 121.091 119.800 0.172 0.000 2.327 359 Q HA 0.410 4.750 4.340 0.001 0.000 0.254 359 Q C -0.417 175.771 176.000 0.312 0.000 0.952 359 Q CA -0.260 55.690 55.803 0.244 0.000 0.884 359 Q CB 1.116 30.007 28.738 0.254 0.000 1.224 359 Q HN 0.467 nan 8.270 nan 0.000 0.422 360 S N 1.690 117.490 115.700 0.166 0.000 2.549 360 S HA 0.306 4.776 4.470 0.001 0.000 0.279 360 S C -0.650 173.993 174.600 0.072 0.000 1.321 360 S CA -0.475 57.700 58.200 -0.040 0.000 1.054 360 S CB 0.375 63.470 63.200 -0.176 0.000 0.899 360 S HN 0.365 nan 8.310 nan 0.000 0.497 361 L N 4.800 126.040 121.223 0.028 0.000 2.385 361 L HA 0.741 5.082 4.340 0.001 0.000 0.273 361 L C -0.795 175.943 176.870 -0.220 0.000 0.990 361 L CA -0.681 54.085 54.840 -0.123 0.000 0.821 361 L CB 1.693 43.677 42.059 -0.125 0.000 1.279 361 L HN 0.480 nan 8.230 nan 0.000 0.412 362 V N 2.095 121.800 119.914 -0.350 0.000 2.715 362 V HA 0.763 4.883 4.120 0.001 0.000 0.310 362 V C -1.075 174.882 176.094 -0.229 0.000 1.054 362 V CA -0.676 61.336 62.300 -0.480 0.000 0.928 362 V CB 1.669 33.008 31.823 -0.807 0.000 1.007 362 V HN 0.821 nan 8.190 nan 0.000 0.437 363 F N 4.700 124.438 119.950 -0.354 0.000 2.608 363 F HA 0.873 5.401 4.527 0.001 0.000 0.309 363 F C -0.394 175.266 175.800 -0.233 0.000 1.103 363 F CA -0.166 57.705 58.000 -0.215 0.000 0.954 363 F CB 1.517 40.435 39.000 -0.136 0.000 1.267 363 F HN 1.216 nan 8.300 nan 0.000 0.444 364 C N 2.703 121.361 119.300 -1.070 0.000 3.332 364 C HA 0.822 5.283 4.460 0.001 0.000 0.329 364 C C -1.657 172.730 174.990 -1.005 0.000 1.434 364 C CA -0.685 57.654 59.018 -1.131 0.000 1.314 364 C CB 1.695 29.030 27.740 -0.675 0.000 1.664 364 C HN 0.969 nan 8.230 nan 0.000 0.457 365 Q N 0.451 119.916 119.800 -0.560 0.000 2.413 365 Q HA 0.771 5.111 4.340 0.001 0.000 0.276 365 Q C -0.608 175.401 176.000 0.015 0.000 1.099 365 Q CA -0.215 55.488 55.803 -0.166 0.000 0.814 365 Q CB 2.721 31.347 28.738 -0.188 0.000 1.379 365 Q HN 0.951 nan 8.270 nan 0.000 0.436 366 T N -2.553 112.089 114.554 0.146 0.000 2.924 366 T HA 0.710 5.060 4.350 0.001 0.000 0.291 366 T C -0.631 174.118 174.700 0.082 0.000 1.045 366 T CA -0.720 61.441 62.100 0.102 0.000 1.015 366 T CB 1.250 70.190 68.868 0.120 0.000 1.103 366 T HN 0.257 nan 8.240 nan 0.000 0.496 367 V N 2.849 122.780 119.914 0.028 0.000 2.357 367 V HA 0.400 4.520 4.120 0.001 0.000 0.284 367 V C 0.317 176.415 176.094 0.007 0.000 1.018 367 V CA -0.908 61.400 62.300 0.014 0.000 0.841 367 V CB 1.076 32.897 31.823 -0.004 0.000 0.991 367 V HN 1.024 nan 8.190 nan 0.000 0.437 368 M N 4.763 124.375 119.600 0.020 0.000 2.248 368 M HA 0.064 4.545 4.480 0.001 0.000 0.343 368 M C 0.912 177.212 176.300 0.001 0.000 1.243 368 M CA 0.755 56.069 55.300 0.022 0.000 1.025 368 M CB 0.566 33.179 32.600 0.021 0.000 1.759 368 M HN 0.937 nan 8.290 nan 0.000 0.452 369 S N 2.510 118.208 115.700 -0.002 0.000 2.568 369 S HA 0.058 4.528 4.470 0.001 0.000 0.282 369 S C 1.044 175.641 174.600 -0.005 0.000 1.338 369 S CA -0.101 58.089 58.200 -0.016 0.000 1.045 369 S CB 0.503 63.688 63.200 -0.023 0.000 0.873 369 S HN 0.806 nan 8.310 nan 0.000 0.516 370 T N 2.204 116.751 114.554 -0.011 0.000 2.699 370 T HA -0.169 4.182 4.350 0.001 0.000 0.268 370 T C 1.627 176.329 174.700 0.004 0.000 1.036 370 T CA 2.049 64.147 62.100 -0.003 0.000 1.147 370 T CB -0.530 68.333 68.868 -0.008 0.000 0.862 370 T HN 0.786 nan 8.240 nan 0.000 0.446 371 E N 0.637 120.836 120.200 -0.001 0.000 2.058 371 E HA -0.089 4.261 4.350 0.001 0.000 0.194 371 E C 2.299 178.912 176.600 0.022 0.000 0.997 371 E CA 0.978 57.381 56.400 0.005 0.000 0.801 371 E CB -0.318 29.378 29.700 -0.006 0.000 0.746 371 E HN 0.432 nan 8.360 nan 0.000 0.450 372 L N 0.749 121.987 121.223 0.025 0.000 2.056 372 L HA -0.186 4.154 4.340 0.001 0.000 0.207 372 L C 2.468 179.374 176.870 0.060 0.000 1.078 372 L CA 0.492 55.362 54.840 0.049 0.000 0.749 372 L CB -0.313 41.776 42.059 0.049 0.000 0.901 372 L HN 0.192 nan 8.230 nan 0.000 0.433 373 I N 0.081 120.673 120.570 0.037 0.000 2.163 373 I HA -0.301 3.870 4.170 0.001 0.000 0.243 373 I C 2.196 178.340 176.117 0.044 0.000 1.085 373 I CA 1.592 62.910 61.300 0.030 0.000 1.347 373 I CB -1.160 36.847 38.000 0.013 0.000 1.044 373 I HN 0.288 nan 8.210 nan 0.000 0.408 374 D N 0.708 121.133 120.400 0.041 0.000 2.149 374 D HA -0.146 4.495 4.640 0.001 0.000 0.198 374 D C 2.364 178.707 176.300 0.071 0.000 0.990 374 D CA 1.695 55.724 54.000 0.047 0.000 0.839 374 D CB -0.157 40.662 40.800 0.033 0.000 0.948 374 D HN 0.387 nan 8.370 nan 0.000 0.460 375 S N 0.016 115.767 115.700 0.084 0.000 2.419 375 S HA -0.127 4.344 4.470 0.001 0.000 0.233 375 S C 2.153 176.889 174.600 0.228 0.000 1.016 375 S CA 0.838 59.118 58.200 0.133 0.000 0.974 375 S CB -0.536 62.734 63.200 0.116 0.000 0.786 375 S HN 0.094 nan 8.310 nan 0.000 0.492 376 V N 2.941 122.964 119.914 0.182 0.000 2.469 376 V HA -0.151 3.969 4.120 0.001 0.000 0.251 376 V C 2.192 178.390 176.094 0.175 0.000 1.064 376 V CA 2.094 64.520 62.300 0.211 0.000 1.066 376 V CB -0.804 31.074 31.823 0.092 0.000 0.667 376 V HN 0.809 nan 8.190 nan 0.000 0.461 377 K N 0.359 120.833 120.400 0.124 0.000 2.498 377 K HA 0.178 4.498 4.320 0.001 0.000 0.207 377 K C 1.626 178.284 176.600 0.097 0.000 1.033 377 K CA 0.681 57.028 56.287 0.100 0.000 1.138 377 K CB 0.167 32.711 32.500 0.073 0.000 0.860 377 K HN 0.426 nan 8.250 nan 0.000 0.490 378 S N 0.953 116.730 115.700 0.128 0.000 2.399 378 S HA -0.169 4.301 4.470 0.001 0.000 0.231 378 S C 1.045 175.669 174.600 0.041 0.000 1.022 378 S CA 1.299 59.544 58.200 0.074 0.000 0.983 378 S CB -0.238 62.993 63.200 0.052 0.000 0.803 378 S HN 0.295 nan 8.310 nan 0.000 0.480 379 D N 0.832 121.269 120.400 0.062 0.000 2.349 379 D HA 0.201 4.842 4.640 0.001 0.000 0.215 379 D C 0.295 176.638 176.300 0.072 0.000 1.016 379 D CA 0.334 54.356 54.000 0.037 0.000 0.870 379 D CB -0.073 40.733 40.800 0.011 0.000 0.917 379 D HN 0.378 nan 8.370 nan 0.000 0.524 380 M N 0.446 120.088 119.600 0.069 0.000 2.250 380 M HA 0.196 4.676 4.480 0.001 0.000 0.344 380 M C 0.301 176.630 176.300 0.048 0.000 1.150 380 M CA 0.164 55.510 55.300 0.077 0.000 1.147 380 M CB 0.918 33.554 32.600 0.059 0.000 1.498 380 M HN -0.325 nan 8.290 nan 0.000 0.461 381 T N 4.162 118.737 114.554 0.036 0.000 2.758 381 T HA 0.662 5.012 4.350 0.001 0.000 0.285 381 T C 0.001 174.681 174.700 -0.033 0.000 0.981 381 T CA -0.357 61.745 62.100 0.003 0.000 0.965 381 T CB 0.554 69.420 68.868 -0.002 0.000 0.927 381 T HN 0.427 nan 8.240 nan 0.000 0.448 382 I N 3.505 124.054 120.570 -0.035 0.000 2.382 382 I HA 0.456 4.627 4.170 0.001 0.000 0.286 382 I C 0.286 176.368 176.117 -0.058 0.000 1.002 382 I CA -0.698 60.553 61.300 -0.081 0.000 1.135 382 I CB 1.088 39.079 38.000 -0.015 0.000 1.288 382 I HN 0.203 nan 8.210 nan 0.000 0.448 383 R N 4.788 125.216 120.500 -0.119 0.000 2.562 383 R HA 0.737 5.077 4.340 0.001 0.000 0.298 383 R C -0.048 176.255 176.300 0.004 0.000 0.961 383 R CA 0.064 56.135 56.100 -0.049 0.000 0.881 383 R CB 1.929 32.191 30.300 -0.062 0.000 1.159 383 R HN 0.874 nan 8.270 nan 0.000 0.450 384 G N 1.540 110.390 108.800 0.084 0.000 2.627 384 G HA2 -0.247 3.713 3.960 0.001 0.000 0.214 384 G HA3 -0.247 3.713 3.960 0.001 0.000 0.214 384 G C -0.973 174.070 174.900 0.239 0.000 1.331 384 G CA -0.290 44.905 45.100 0.159 0.000 0.891 384 G HN 0.708 nan 8.290 nan 0.000 0.539 385 T N -0.615 114.057 114.554 0.196 0.000 2.863 385 T HA 0.716 5.066 4.350 0.001 0.000 0.285 385 T C -2.871 171.763 174.700 -0.111 0.000 1.009 385 T CA -1.512 60.640 62.100 0.087 0.000 0.989 385 T CB 2.346 71.226 68.868 0.021 0.000 1.004 385 T HN 0.525 nan 8.240 nan 0.000 0.455 386 P HA 0.246 nan 4.420 nan 0.000 0.264 386 P C 1.238 178.295 177.300 -0.405 0.000 1.179 386 P CA 1.287 63.826 63.100 -0.936 0.000 0.763 386 P CB 0.120 31.424 31.700 -0.660 0.000 0.806 387 G N 1.257 109.862 108.800 -0.324 0.000 2.195 387 G HA2 -0.221 3.739 3.960 0.001 0.000 0.246 387 G HA3 -0.221 3.739 3.960 0.001 0.000 0.246 387 G C 0.039 174.904 174.900 -0.059 0.000 0.984 387 G CA -0.100 44.918 45.100 -0.136 0.000 0.633 387 G HN 0.550 nan 8.290 nan 0.000 0.525 388 E N -0.760 119.419 120.200 -0.034 0.000 2.239 388 E HA 0.646 4.997 4.350 0.001 0.000 0.261 388 E C 1.152 177.788 176.600 0.060 0.000 1.016 388 E CA -0.933 55.477 56.400 0.017 0.000 0.882 388 E CB 0.796 30.512 29.700 0.027 0.000 1.190 388 E HN 0.039 nan 8.360 nan 0.000 0.415 389 L N 0.227 121.479 121.223 0.048 0.000 2.291 389 L HA -0.074 4.267 4.340 0.001 0.000 0.214 389 L C 2.122 179.030 176.870 0.063 0.000 1.120 389 L CA 1.333 56.202 54.840 0.050 0.000 0.799 389 L CB -0.827 41.250 42.059 0.030 0.000 0.925 389 L HN 0.647 nan 8.230 nan 0.000 0.446 390 T N -4.407 110.191 114.554 0.072 0.000 3.129 390 T HA -0.033 4.317 4.350 0.001 0.000 0.251 390 T C 0.452 175.219 174.700 0.113 0.000 1.117 390 T CA -0.195 61.947 62.100 0.070 0.000 1.034 390 T CB -0.654 68.248 68.868 0.056 0.000 0.968 390 T HN 0.085 nan 8.240 nan 0.000 0.526 391 Y N 2.358 122.658 120.300 0.000 0.000 2.465 391 Y HA 0.495 5.045 4.550 0.001 0.000 0.331 391 Y C 0.037 175.939 175.900 0.003 0.000 1.102 391 Y CA -0.981 57.120 58.100 0.002 0.000 1.358 391 Y CB 0.551 39.011 38.460 -0.001 0.000 1.213 391 Y HN 0.140 nan 8.280 nan 0.000 0.525 392 S N 4.863 120.326 115.700 -0.394 0.000 2.557 392 S HA 0.748 5.218 4.470 0.001 0.000 0.291 392 S C -1.794 172.521 174.600 -0.475 0.000 1.116 392 S CA -0.661 57.338 58.200 -0.335 0.000 0.992 392 S CB 0.890 63.998 63.200 -0.154 0.000 1.028 392 S HN 0.450 nan 8.310 nan 0.000 0.484 393 V N 4.497 124.206 119.914 -0.341 0.000 2.443 393 V HA 0.706 4.826 4.120 0.001 0.000 0.293 393 V C -0.144 175.917 176.094 -0.055 0.000 1.021 393 V CA -0.508 61.664 62.300 -0.213 0.000 0.848 393 V CB 1.479 33.188 31.823 -0.190 0.000 0.998 393 V HN 1.016 nan 8.190 nan 0.000 0.424 394 T N 1.853 116.405 114.554 -0.003 0.000 2.883 394 T HA 0.864 5.215 4.350 0.001 0.000 0.301 394 T C -1.079 173.708 174.700 0.145 0.000 1.158 394 T CA -0.774 61.350 62.100 0.040 0.000 1.007 394 T CB 2.297 71.140 68.868 -0.041 0.000 1.186 394 T HN 0.823 nan 8.240 nan 0.000 0.499 395 Y N -1.693 118.598 120.300 -0.015 0.000 2.615 395 Y HA 0.766 5.316 4.550 0.001 0.000 0.341 395 Y C -0.871 175.023 175.900 -0.010 0.000 1.089 395 Y CA -1.312 56.783 58.100 -0.009 0.000 1.049 395 Y CB 0.882 39.345 38.460 0.005 0.000 1.296 395 Y HN 0.643 nan 8.280 nan 0.000 0.470 396 T N 4.389 118.941 114.554 -0.002 0.000 2.762 396 T HA 0.378 4.729 4.350 0.001 0.000 0.303 396 T C -2.754 171.946 174.700 -0.000 0.000 0.977 396 T CA -1.275 60.773 62.100 -0.086 0.000 0.961 396 T CB 0.519 69.375 68.868 -0.021 0.000 0.944 396 T HN 0.364 nan 8.240 nan 0.000 0.481 397 P HA 0.210 nan 4.420 nan 0.000 0.265 397 P C 1.180 178.517 177.300 0.061 0.000 1.193 397 P CA 0.785 63.926 63.100 0.068 0.000 0.765 397 P CB 0.367 32.058 31.700 -0.015 0.000 0.823 398 G N 1.836 110.689 108.800 0.088 0.000 2.234 398 G HA2 -0.263 3.698 3.960 0.001 0.000 0.260 398 G HA3 -0.263 3.698 3.960 0.001 0.000 0.260 398 G C 0.514 175.427 174.900 0.022 0.000 0.987 398 G CA 0.074 45.201 45.100 0.045 0.000 0.625 398 G HN 0.870 nan 8.290 nan 0.000 0.532 399 A N 0.651 123.487 122.820 0.026 0.000 2.565 399 A HA 0.567 4.887 4.320 0.001 0.000 0.237 399 A C 1.762 179.338 177.584 -0.013 0.000 1.053 399 A CA 1.486 53.526 52.037 0.005 0.000 0.755 399 A CB 0.274 19.280 19.000 0.010 0.000 0.980 399 A HN 1.796 nan 8.150 nan 0.000 0.506 400 S N 1.084 116.772 115.700 -0.020 0.000 2.489 400 S HA -0.109 4.361 4.470 0.001 0.000 0.228 400 S C 1.365 175.936 174.600 -0.048 0.000 0.995 400 S CA 1.303 59.484 58.200 -0.032 0.000 0.934 400 S CB -0.676 62.509 63.200 -0.025 0.000 0.771 400 S HN 1.177 nan 8.310 nan 0.000 0.522 401 T N -0.708 113.819 114.554 -0.045 0.000 3.129 401 T HA 0.201 4.551 4.350 0.001 0.000 0.251 401 T C 0.384 175.032 174.700 -0.087 0.000 1.117 401 T CA -0.423 61.641 62.100 -0.060 0.000 1.034 401 T CB -0.635 68.206 68.868 -0.045 0.000 0.968 401 T HN 0.194 nan 8.240 nan 0.000 0.526 402 N N 2.221 120.870 118.700 -0.085 0.000 2.454 402 N HA 0.221 4.961 4.740 0.001 0.000 0.260 402 N C 0.745 176.112 175.510 -0.239 0.000 1.218 402 N CA -0.015 52.957 53.050 -0.129 0.000 0.904 402 N CB 1.211 39.647 38.487 -0.085 0.000 1.065 402 N HN 0.252 nan 8.380 nan 0.000 0.462 403 K N 1.034 121.203 120.400 -0.384 0.000 2.365 403 K HA 0.072 4.392 4.320 0.001 0.000 0.197 403 K C -0.050 175.982 176.600 -0.947 0.000 1.042 403 K CA 0.842 56.749 56.287 -0.634 0.000 0.987 403 K CB 0.153 32.205 32.500 -0.745 0.000 0.779 403 K HN 0.556 nan 8.250 nan 0.000 0.484 404 H N -0.701 118.065 119.070 -0.506 0.000 2.731 404 H HA 0.310 4.867 4.556 0.001 0.000 0.368 404 H C -2.457 172.553 175.328 -0.529 0.000 1.168 404 H CA -2.767 52.816 56.048 -0.775 0.000 1.181 404 H CB 1.170 30.094 29.762 -1.396 0.000 1.743 404 H HN -0.148 nan 8.280 nan 0.000 0.547 405 P HA 0.002 nan 4.420 nan 0.000 0.272 405 P C 0.310 177.419 177.300 -0.319 0.000 1.230 405 P CA -0.198 62.705 63.100 -0.328 0.000 0.788 405 P CB 1.228 32.677 31.700 -0.419 0.000 0.949 406 D N 0.448 120.790 120.400 -0.097 0.000 2.133 406 D HA -0.167 4.473 4.640 0.001 0.000 0.195 406 D C 1.890 178.208 176.300 0.029 0.000 0.997 406 D CA 1.403 55.426 54.000 0.038 0.000 0.840 406 D CB -0.547 40.365 40.800 0.187 0.000 0.947 406 D HN 0.614 nan 8.370 nan 0.000 0.452 407 W N 0.110 121.487 121.300 0.128 0.000 2.363 407 W HA -0.145 4.515 4.660 0.001 0.000 0.296 407 W C 1.970 178.564 176.519 0.125 0.000 1.212 407 W CA 0.217 57.632 57.345 0.116 0.000 1.260 407 W CB -1.366 28.155 29.460 0.102 0.000 1.131 407 W HN 0.086 nan 8.180 nan 0.000 0.530 408 W N 3.420 124.236 121.300 -0.806 0.000 2.378 408 W HA -0.168 4.493 4.660 0.001 0.000 0.313 408 W C 1.863 178.118 176.519 -0.441 0.000 1.197 408 W CA 1.720 58.603 57.345 -0.770 0.000 1.304 408 W CB -1.018 27.758 29.460 -1.139 0.000 1.148 408 W HN -0.117 nan 8.180 nan 0.000 0.494 409 N N 0.982 119.603 118.700 -0.132 0.000 2.223 409 N HA -0.195 4.546 4.740 0.001 0.000 0.185 409 N C 1.497 176.725 175.510 -0.471 0.000 1.016 409 N CA 1.856 54.621 53.050 -0.474 0.000 0.863 409 N CB -0.573 37.211 38.487 -1.171 0.000 0.983 409 N HN 0.236 nan 8.380 nan 0.000 0.429 410 E N 1.378 121.461 120.200 -0.196 0.000 2.072 410 E HA -0.044 4.306 4.350 0.001 0.000 0.191 410 E C 1.612 178.261 176.600 0.081 0.000 0.985 410 E CA 1.272 57.735 56.400 0.105 0.000 0.801 410 E CB 0.051 29.879 29.700 0.213 0.000 0.750 410 E HN 0.239 nan 8.360 nan 0.000 0.452 411 K N -0.453 119.978 120.400 0.051 0.000 2.026 411 K HA -0.101 4.220 4.320 0.001 0.000 0.208 411 K C 2.107 178.706 176.600 -0.003 0.000 1.048 411 K CA 1.468 57.773 56.287 0.031 0.000 0.929 411 K CB -0.159 32.344 32.500 0.005 0.000 0.713 411 K HN 0.024 nan 8.250 nan 0.000 0.439 412 V N 1.875 121.748 119.914 -0.068 0.000 2.307 412 V HA -0.255 3.865 4.120 0.001 0.000 0.245 412 V C 2.371 178.495 176.094 0.051 0.000 1.045 412 V CA 1.630 63.907 62.300 -0.039 0.000 1.024 412 V CB -0.437 31.345 31.823 -0.067 0.000 0.651 412 V HN 0.337 nan 8.190 nan 0.000 0.449 413 K N 0.355 120.784 120.400 0.048 0.000 2.020 413 K HA -0.264 4.057 4.320 0.001 0.000 0.212 413 K C 2.073 178.727 176.600 0.090 0.000 1.050 413 K CA 2.144 58.489 56.287 0.096 0.000 0.929 413 K CB -0.269 32.351 32.500 0.199 0.000 0.714 413 K HN 0.428 nan 8.250 nan 0.000 0.443 414 N N 0.295 119.054 118.700 0.099 0.000 2.120 414 N HA -0.192 4.548 4.740 0.001 0.000 0.188 414 N C 1.784 177.349 175.510 0.092 0.000 1.024 414 N CA 1.522 54.624 53.050 0.087 0.000 0.852 414 N CB -0.705 37.840 38.487 0.098 0.000 1.003 414 N HN 0.438 nan 8.380 nan 0.000 0.424 415 H N 0.545 119.641 119.070 0.044 0.000 2.321 415 H HA 0.088 4.645 4.556 0.001 0.000 0.300 415 H C 2.060 177.438 175.328 0.083 0.000 1.087 415 H CA 1.765 57.853 56.048 0.067 0.000 1.319 415 H CB -0.136 29.582 29.762 -0.074 0.000 1.379 415 H HN 0.103 nan 8.280 nan 0.000 0.501 416 M N -0.798 118.801 119.600 -0.003 0.000 2.213 416 M HA -0.142 4.338 4.480 0.001 0.000 0.263 416 M C 1.678 178.023 176.300 0.075 0.000 1.062 416 M CA 1.146 56.458 55.300 0.019 0.000 1.105 416 M CB 0.076 32.747 32.600 0.118 0.000 1.385 416 M HN 0.370 nan 8.290 nan 0.000 0.417 417 M N -0.666 118.960 119.600 0.043 0.000 2.394 417 M HA -0.041 4.439 4.480 0.001 0.000 0.266 417 M C 1.899 178.186 176.300 -0.022 0.000 1.098 417 M CA 1.227 56.565 55.300 0.063 0.000 1.149 417 M CB -0.690 31.929 32.600 0.031 0.000 1.369 417 M HN 0.216 nan 8.290 nan 0.000 0.450 418 Q N -0.413 119.305 119.800 -0.137 0.000 2.389 418 Q HA 0.016 4.356 4.340 0.001 0.000 0.204 418 Q C 0.064 175.715 176.000 -0.582 0.000 0.944 418 Q CA 0.859 56.458 55.803 -0.339 0.000 0.908 418 Q CB 0.298 28.788 28.738 -0.413 0.000 1.002 418 Q HN 0.570 nan 8.270 nan 0.000 0.493 419 H N 0.279 119.271 119.070 -0.131 0.000 2.429 419 H HA 0.250 4.807 4.556 0.001 0.000 0.231 419 H C 0.224 175.468 175.328 -0.140 0.000 1.416 419 H CA -0.082 55.891 56.048 -0.125 0.000 1.443 419 H CB 0.463 30.114 29.762 -0.186 0.000 1.591 419 H HN 0.204 nan 8.280 nan 0.000 0.507 420 Q N 0.665 120.451 119.800 -0.023 0.000 2.472 420 Q HA -0.088 4.252 4.340 0.001 0.000 0.208 420 Q C 1.794 177.734 176.000 -0.100 0.000 0.958 420 Q CA 0.616 56.360 55.803 -0.099 0.000 0.932 420 Q CB 0.490 29.119 28.738 -0.182 0.000 1.007 420 Q HN 0.529 nan 8.270 nan 0.000 0.508 421 E N 1.049 121.241 120.200 -0.013 0.000 2.371 421 E HA -0.099 4.252 4.350 0.001 0.000 0.194 421 E C -0.251 176.378 176.600 0.047 0.000 1.012 421 E CA 0.476 56.883 56.400 0.011 0.000 0.860 421 E CB 0.016 29.744 29.700 0.046 0.000 0.811 421 E HN 0.142 nan 8.360 nan 0.000 0.502 422 D N 2.371 122.817 120.400 0.077 0.000 2.277 422 D HA 0.100 4.740 4.640 0.001 0.000 0.249 422 D C -1.542 174.804 176.300 0.077 0.000 1.134 422 D CA -2.007 52.065 54.000 0.119 0.000 0.863 422 D CB 1.553 42.450 40.800 0.161 0.000 1.143 422 D HN -0.134 nan 8.370 nan 0.000 0.458 423 P HA 0.088 nan 4.420 nan 0.000 0.249 423 P C -0.229 177.106 177.300 0.059 0.000 1.229 423 P CA 0.227 63.360 63.100 0.055 0.000 0.788 423 P CB 0.371 32.096 31.700 0.041 0.000 1.072 424 L N 1.681 122.948 121.223 0.073 0.000 2.334 424 L HA 0.386 4.726 4.340 0.001 0.000 0.273 424 L C -1.544 175.353 176.870 0.045 0.000 1.013 424 L CA -2.276 52.581 54.840 0.028 0.000 0.816 424 L CB 2.683 44.727 42.059 -0.025 0.000 1.278 424 L HN -0.302 nan 8.230 nan 0.000 0.431 425 P HA 0.121 nan 4.420 nan 0.000 0.255 425 P C 0.102 177.280 177.300 -0.203 0.000 1.248 425 P CA 0.412 63.514 63.100 0.004 0.000 0.807 425 P CB 0.336 32.040 31.700 0.007 0.000 1.150 426 I N 2.173 122.522 120.570 -0.367 0.000 2.342 426 I HA 0.250 4.420 4.170 0.001 0.000 0.291 426 I C -2.171 173.447 176.117 -0.831 0.000 1.010 426 I CA -2.867 58.154 61.300 -0.466 0.000 1.308 426 I CB 0.921 38.735 38.000 -0.309 0.000 1.400 426 I HN -0.262 nan 8.210 nan 0.000 0.488 427 P HA -0.024 nan 4.420 nan 0.000 0.266 427 P C 0.278 177.316 177.300 -0.438 0.000 1.193 427 P CA 0.107 62.831 63.100 -0.627 0.000 0.770 427 P CB 0.341 31.909 31.700 -0.220 0.000 0.836 428 F N 0.905 120.730 119.950 -0.208 0.000 2.171 428 F HA -0.117 4.410 4.527 0.001 0.000 0.300 428 F C 1.749 177.506 175.800 -0.072 0.000 1.090 428 F CA 1.568 59.491 58.000 -0.129 0.000 1.293 428 F CB -0.761 38.181 39.000 -0.098 0.000 1.013 428 F HN 0.400 nan 8.300 nan 0.000 0.486 429 E N -0.245 120.036 120.200 0.134 0.000 2.419 429 E HA -0.008 4.342 4.350 0.001 0.000 0.190 429 E C -0.219 176.401 176.600 0.034 0.000 1.040 429 E CA -0.202 56.249 56.400 0.085 0.000 0.900 429 E CB -0.270 29.484 29.700 0.089 0.000 1.054 429 E HN 0.215 nan 8.360 nan 0.000 0.462 430 D N 2.661 123.055 120.400 -0.009 0.000 2.450 430 D HA 0.014 4.655 4.640 0.001 0.000 0.247 430 D C -2.287 174.029 176.300 0.027 0.000 1.162 430 D CA -1.413 52.570 54.000 -0.028 0.000 0.879 430 D CB 0.775 41.516 40.800 -0.099 0.000 1.163 430 D HN -0.127 nan 8.370 nan 0.000 0.472 431 P HA 0.064 nan 4.420 nan 0.000 0.270 431 P C -0.360 177.056 177.300 0.193 0.000 1.223 431 P CA -0.358 62.839 63.100 0.162 0.000 0.785 431 P CB 0.374 32.182 31.700 0.179 0.000 0.923 432 E N 2.685 123.015 120.200 0.217 0.000 2.409 432 E HA 0.149 4.499 4.350 0.001 0.000 0.257 432 E C -2.413 174.230 176.600 0.072 0.000 1.150 432 E CA -1.799 54.660 56.400 0.098 0.000 0.942 432 E CB -0.839 28.880 29.700 0.032 0.000 0.979 432 E HN 0.240 nan 8.360 nan 0.000 0.447 433 P HA 0.070 nan 4.420 nan 0.000 0.271 433 P C -0.533 176.776 177.300 0.015 0.000 1.218 433 P CA -0.010 63.164 63.100 0.123 0.000 0.780 433 P CB 0.474 32.192 31.700 0.029 0.000 0.901 434 Q N 1.131 121.036 119.800 0.174 0.000 3.394 434 Q HA 0.304 4.644 4.340 0.001 0.000 0.285 434 Q C -1.001 175.090 176.000 0.151 0.000 0.866 434 Q CA -0.349 55.437 55.803 -0.028 0.000 0.844 434 Q CB 1.187 29.678 28.738 -0.411 0.000 1.472 434 Q HN 0.196 nan 8.270 nan 0.000 0.401 435 V N 0.619 120.577 119.914 0.073 0.000 2.547 435 V HA 0.724 4.844 4.120 0.001 0.000 0.299 435 V C 0.178 176.282 176.094 0.018 0.000 1.040 435 V CA -0.376 61.966 62.300 0.070 0.000 0.913 435 V CB 2.033 33.834 31.823 -0.037 0.000 0.992 435 V HN 0.430 nan 8.190 nan 0.000 0.449 436 T N 1.903 116.499 114.554 0.071 0.000 2.916 436 T HA 0.479 4.829 4.350 0.001 0.000 0.305 436 T C -0.885 173.747 174.700 -0.113 0.000 1.119 436 T CA -0.323 61.759 62.100 -0.029 0.000 1.008 436 T CB 1.836 70.677 68.868 -0.043 0.000 1.129 436 T HN 0.805 nan 8.240 nan 0.000 0.480 437 T N 4.778 119.107 114.554 -0.376 0.000 2.788 437 T HA 0.592 4.942 4.350 0.001 0.000 0.296 437 T C -0.090 174.463 174.700 -0.244 0.000 1.009 437 T CA -0.601 61.127 62.100 -0.619 0.000 0.949 437 T CB -0.216 67.834 68.868 -1.364 0.000 0.946 437 T HN 0.514 nan 8.240 nan 0.000 0.453 438 L N 4.539 125.699 121.223 -0.105 0.000 2.467 438 L HA 0.376 4.716 4.340 0.001 0.000 0.270 438 L C 0.766 177.637 176.870 0.002 0.000 1.205 438 L CA -0.899 53.961 54.840 0.033 0.000 0.828 438 L CB 0.151 42.225 42.059 0.025 0.000 1.101 438 L HN 0.615 nan 8.230 nan 0.000 0.479 439 F N 3.131 123.009 119.950 -0.119 0.000 2.537 439 F HA -0.126 4.401 4.527 0.001 0.000 0.402 439 F C 0.311 175.859 175.800 -0.421 0.000 1.005 439 F CA 0.728 58.569 58.000 -0.266 0.000 1.203 439 F CB 0.070 38.964 39.000 -0.177 0.000 0.955 439 F HN 0.413 nan 8.300 nan 0.000 0.547 440 Q N 6.504 125.819 119.800 -0.810 0.000 2.501 440 Q HA 0.261 4.601 4.340 0.001 0.000 0.288 440 Q C -2.044 173.537 176.000 -0.698 0.000 1.051 440 Q CA -1.742 53.673 55.803 -0.647 0.000 0.788 440 Q CB 1.345 29.572 28.738 -0.851 0.000 1.469 440 Q HN 0.224 nan 8.270 nan 0.000 0.416 441 P HA -0.178 nan 4.420 nan 0.000 0.217 441 P C 1.143 178.240 177.300 -0.339 0.000 1.148 441 P CA 1.904 64.845 63.100 -0.266 0.000 0.828 441 P CB 0.264 31.892 31.700 -0.120 0.000 0.783 442 S N -1.704 113.792 115.700 -0.340 0.000 2.562 442 S HA -0.068 4.402 4.470 0.001 0.000 0.221 442 S C 0.493 174.908 174.600 -0.307 0.000 0.975 442 S CA 0.007 58.078 58.200 -0.215 0.000 0.918 442 S CB -1.209 61.963 63.200 -0.047 0.000 0.772 442 S HN 0.418 nan 8.310 nan 0.000 0.531 443 H N -1.199 117.436 119.070 -0.724 0.000 2.562 443 H HA 0.473 5.029 4.556 0.001 0.000 0.230 443 H C -3.241 170.928 175.328 -1.932 0.000 1.415 443 H CA -1.794 53.429 56.048 -1.375 0.000 1.454 443 H CB 0.457 29.698 29.762 -0.868 0.000 1.716 443 H HN 0.066 nan 8.280 nan 0.000 0.538 444 P HA 0.092 nan 4.420 nan 0.000 0.220 444 P C -1.276 175.362 177.300 -1.103 0.000 1.806 444 P CA 0.173 62.156 63.100 -1.863 0.000 0.976 444 P CB -1.054 30.125 31.700 -0.870 0.000 1.952 445 W N -0.238 120.683 121.300 -0.633 0.000 3.213 445 W HA 0.511 5.171 4.660 0.001 0.000 0.318 445 W C -0.860 175.709 176.519 0.084 0.000 1.248 445 W CA -1.267 56.061 57.345 -0.029 0.000 1.187 445 W CB 0.041 29.522 29.460 0.034 0.000 1.403 445 W HN 0.004 nan 8.180 nan 0.000 0.556 446 H N 1.148 120.458 119.070 0.401 0.000 2.551 446 H HA 0.700 5.257 4.556 0.001 0.000 0.358 446 H C -0.136 175.319 175.328 0.212 0.000 1.151 446 H CA 0.552 56.739 56.048 0.231 0.000 1.374 446 H CB 1.438 31.282 29.762 0.137 0.000 1.473 446 H HN 0.571 nan 8.280 nan 0.000 0.574 447 T N 1.954 116.128 114.554 -0.632 0.000 2.893 447 T HA 0.498 4.848 4.350 0.001 0.000 0.293 447 T C -0.797 173.581 174.700 -0.536 0.000 1.027 447 T CA -1.119 60.640 62.100 -0.568 0.000 0.988 447 T CB 1.615 70.055 68.868 -0.713 0.000 1.043 447 T HN 0.666 nan 8.240 nan 0.000 0.461 448 Q N 1.842 121.530 119.800 -0.186 0.000 2.292 448 Q HA 0.562 4.902 4.340 0.001 0.000 0.270 448 Q C -1.154 174.735 176.000 -0.185 0.000 1.024 448 Q CA -0.608 55.002 55.803 -0.321 0.000 0.768 448 Q CB 2.555 30.965 28.738 -0.547 0.000 1.250 448 Q HN 0.718 nan 8.270 nan 0.000 0.447 449 I N 3.848 124.275 120.570 -0.238 0.000 2.537 449 I HA 0.369 4.540 4.170 0.001 0.000 0.276 449 I C -0.382 175.624 176.117 -0.185 0.000 1.063 449 I CA -0.292 60.755 61.300 -0.421 0.000 1.144 449 I CB 0.272 37.901 38.000 -0.617 0.000 1.252 449 I HN 0.771 nan 8.210 nan 0.000 0.480 450 H N 3.655 122.539 119.070 -0.311 0.000 3.150 450 H HA 0.652 5.209 4.556 0.001 0.000 0.270 450 H C -1.181 174.071 175.328 -0.126 0.000 1.573 450 H CA -1.324 54.613 56.048 -0.184 0.000 1.195 450 H CB 1.412 31.087 29.762 -0.143 0.000 1.874 450 H HN 0.094 nan 8.280 nan 0.000 0.691 451 R N 1.442 121.754 120.500 -0.313 0.000 2.538 451 R HA 0.257 4.597 4.340 0.001 0.000 0.292 451 R C -1.533 174.534 176.300 -0.388 0.000 1.008 451 R CA -0.541 55.368 56.100 -0.319 0.000 0.896 451 R CB 1.837 32.077 30.300 -0.099 0.000 1.187 451 R HN 0.932 nan 8.270 nan 0.000 0.440 452 D N 0.793 120.973 120.400 -0.366 0.000 2.585 452 D HA 0.432 5.073 4.640 0.001 0.000 0.254 452 D C -0.509 175.781 176.300 -0.016 0.000 1.067 452 D CA -0.711 53.177 54.000 -0.187 0.000 1.090 452 D CB 1.198 41.875 40.800 -0.205 0.000 1.408 452 D HN 0.374 nan 8.370 nan 0.000 0.554 453 A N -0.062 122.770 122.820 0.021 0.000 2.591 453 A HA 0.322 4.643 4.320 0.001 0.000 0.244 453 A C -0.750 176.898 177.584 0.106 0.000 1.031 453 A CA 0.358 52.452 52.037 0.095 0.000 0.767 453 A CB -0.878 18.207 19.000 0.141 0.000 0.942 453 A HN 0.458 nan 8.150 nan 0.000 0.514 454 F N 1.926 121.813 119.950 -0.105 0.000 2.591 454 F HA 0.480 5.008 4.527 0.001 0.000 0.309 454 F C 0.258 175.878 175.800 -0.300 0.000 1.098 454 F CA -0.326 57.498 58.000 -0.293 0.000 0.937 454 F CB 2.062 40.737 39.000 -0.541 0.000 1.250 454 F HN 0.418 nan 8.300 nan 0.000 0.447 455 S N 5.021 120.154 115.700 -0.945 0.000 2.473 455 S HA 0.349 4.820 4.470 0.001 0.000 0.312 455 S C -1.065 173.221 174.600 -0.525 0.000 1.087 455 S CA -0.229 57.634 58.200 -0.562 0.000 1.077 455 S CB -0.640 62.267 63.200 -0.488 0.000 1.065 455 S HN 0.442 nan 8.310 nan 0.000 0.510 456 Y N 2.838 123.184 120.300 0.077 0.000 2.377 456 Y HA 0.386 4.936 4.550 0.001 0.000 0.330 456 Y C 1.476 177.433 175.900 0.094 0.000 1.108 456 Y CA 0.166 58.402 58.100 0.226 0.000 1.308 456 Y CB 0.467 39.071 38.460 0.241 0.000 1.216 456 Y HN 0.695 nan 8.280 nan 0.000 0.518 457 G N 1.207 110.151 108.800 0.241 0.000 2.664 457 G HA2 0.256 4.217 3.960 0.001 0.000 0.242 457 G HA3 0.256 4.217 3.960 0.001 0.000 0.242 457 G C 0.878 175.868 174.900 0.149 0.000 1.225 457 G CA -0.044 45.144 45.100 0.147 0.000 0.849 457 G HN 0.896 nan 8.290 nan 0.000 0.581 458 A N 0.175 123.051 122.820 0.094 0.000 1.969 458 A HA 0.012 4.333 4.320 0.001 0.000 0.218 458 A C 2.497 180.123 177.584 0.070 0.000 1.169 458 A CA 1.822 53.904 52.037 0.074 0.000 0.635 458 A CB -0.400 18.630 19.000 0.049 0.000 0.810 458 A HN 0.539 nan 8.150 nan 0.000 0.445 459 V N -0.116 119.843 119.914 0.074 0.000 2.358 459 V HA -0.292 3.829 4.120 0.001 0.000 0.246 459 V C 2.569 178.707 176.094 0.074 0.000 1.047 459 V CA 2.098 64.436 62.300 0.064 0.000 1.035 459 V CB -0.960 30.899 31.823 0.060 0.000 0.658 459 V HN 0.628 nan 8.190 nan 0.000 0.452 460 Q N -0.268 119.605 119.800 0.122 0.000 2.135 460 Q HA -0.266 4.075 4.340 0.001 0.000 0.204 460 Q C 2.259 178.287 176.000 0.048 0.000 0.981 460 Q CA 1.527 57.416 55.803 0.144 0.000 0.856 460 Q CB -0.243 28.697 28.738 0.337 0.000 0.902 460 Q HN 0.684 nan 8.270 nan 0.000 0.425 461 Q N -0.199 119.638 119.800 0.062 0.000 2.439 461 Q HA -0.104 4.236 4.340 0.001 0.000 0.211 461 Q C 1.937 177.924 176.000 -0.021 0.000 0.978 461 Q CA 0.701 56.500 55.803 -0.007 0.000 0.897 461 Q CB -0.056 28.708 28.738 0.043 0.000 0.956 461 Q HN 0.164 nan 8.270 nan 0.000 0.483 462 S N -0.105 115.595 115.700 -0.000 0.000 2.447 462 S HA -0.028 4.443 4.470 0.001 0.000 0.233 462 S C 0.770 175.359 174.600 -0.017 0.000 1.006 462 S CA 0.231 58.430 58.200 -0.002 0.000 0.957 462 S CB 0.228 63.435 63.200 0.012 0.000 0.773 462 S HN 0.153 nan 8.310 nan 0.000 0.507 463 I N 2.755 123.302 120.570 -0.039 0.000 2.342 463 I HA 0.246 4.417 4.170 0.001 0.000 0.291 463 I C 0.312 176.382 176.117 -0.080 0.000 1.010 463 I CA -0.836 60.434 61.300 -0.049 0.000 1.308 463 I CB 0.827 38.797 38.000 -0.050 0.000 1.400 463 I HN 0.148 nan 8.210 nan 0.000 0.488 464 D N 4.364 124.736 120.400 -0.046 0.000 2.487 464 D HA -0.070 4.571 4.640 0.001 0.000 0.243 464 D C 1.264 177.523 176.300 -0.068 0.000 1.154 464 D CA 0.214 54.192 54.000 -0.036 0.000 0.876 464 D CB 1.158 41.960 40.800 0.002 0.000 1.161 464 D HN 0.666 nan 8.370 nan 0.000 0.478 465 S N 4.289 119.938 115.700 -0.085 0.000 2.442 465 S HA -0.177 4.293 4.470 0.001 0.000 0.236 465 S C 1.649 176.220 174.600 -0.048 0.000 1.007 465 S CA 0.569 58.703 58.200 -0.110 0.000 0.965 465 S CB -0.047 63.091 63.200 -0.103 0.000 0.773 465 S HN 0.556 nan 8.310 nan 0.000 0.504 466 R N 0.659 121.144 120.500 -0.024 0.000 2.241 466 R HA 0.170 4.510 4.340 0.001 0.000 0.224 466 R C 1.786 178.069 176.300 -0.028 0.000 1.101 466 R CA 1.114 57.198 56.100 -0.027 0.000 0.995 466 R CB -0.519 29.753 30.300 -0.046 0.000 0.870 466 R HN 0.463 nan 8.270 nan 0.000 0.463 467 L N 0.244 121.451 121.223 -0.026 0.000 2.418 467 L HA 0.116 4.456 4.340 0.001 0.000 0.218 467 L C 0.651 177.522 176.870 0.001 0.000 1.125 467 L CA 0.204 55.036 54.840 -0.014 0.000 0.835 467 L CB 0.101 42.150 42.059 -0.016 0.000 0.953 467 L HN 0.055 nan 8.230 nan 0.000 0.454 468 I N 0.083 120.648 120.570 -0.009 0.000 2.353 468 I HA 0.234 4.405 4.170 0.001 0.000 0.293 468 I C -0.580 175.553 176.117 0.028 0.000 0.992 468 I CA -0.347 60.961 61.300 0.012 0.000 1.268 468 I CB 1.737 39.729 38.000 -0.014 0.000 1.387 468 I HN -0.304 nan 8.210 nan 0.000 0.478 469 V N 4.865 124.817 119.914 0.063 0.000 2.638 469 V HA 0.326 4.447 4.120 0.001 0.000 0.306 469 V C -0.830 175.272 176.094 0.013 0.000 1.052 469 V CA -0.868 61.438 62.300 0.009 0.000 0.885 469 V CB 2.064 33.898 31.823 0.018 0.000 0.999 469 V HN 0.575 nan 8.190 nan 0.000 0.424 470 D N 2.687 123.021 120.400 -0.110 0.000 2.255 470 D HA 0.452 5.093 4.640 0.001 0.000 0.249 470 D C -0.991 175.222 176.300 -0.144 0.000 1.078 470 D CA 0.114 54.084 54.000 -0.052 0.000 0.896 470 D CB 1.291 42.062 40.800 -0.049 0.000 1.194 470 D HN 0.446 nan 8.370 nan 0.000 0.429 471 W N 1.456 122.731 121.300 -0.042 0.000 2.475 471 W HA 0.437 5.098 4.660 0.001 0.000 0.320 471 W C 0.198 176.754 176.519 0.061 0.000 1.022 471 W CA -0.854 56.502 57.345 0.019 0.000 1.240 471 W CB 1.181 30.538 29.460 -0.171 0.000 1.328 471 W HN -0.074 nan 8.180 nan 0.000 0.439 472 R N 3.047 123.773 120.500 0.377 0.000 2.435 472 R HA 0.497 4.837 4.340 0.001 0.000 0.308 472 R C -1.493 174.977 176.300 0.282 0.000 0.975 472 R CA -0.833 55.379 56.100 0.186 0.000 0.867 472 R CB 1.473 31.861 30.300 0.146 0.000 1.171 472 R HN 0.169 nan 8.270 nan 0.000 0.470 473 F N 3.044 122.852 119.950 -0.236 0.000 2.469 473 F HA 0.495 5.022 4.527 0.001 0.000 0.332 473 F C -0.280 175.402 175.800 -0.197 0.000 1.103 473 F CA -1.516 56.421 58.000 -0.104 0.000 0.979 473 F CB 1.066 39.964 39.000 -0.169 0.000 1.137 473 F HN 0.290 nan 8.300 nan 0.000 0.463 474 F N 1.289 121.404 119.950 0.275 0.000 2.449 474 F HA 0.641 5.169 4.527 0.001 0.000 0.342 474 F C 0.656 176.643 175.800 0.312 0.000 1.127 474 F CA -1.176 56.983 58.000 0.266 0.000 0.975 474 F CB 1.407 40.592 39.000 0.307 0.000 1.146 474 F HN 0.519 nan 8.300 nan 0.000 0.444 475 G N 2.213 111.242 108.800 0.380 0.000 2.451 475 G HA2 0.583 4.544 3.960 0.001 0.000 0.303 475 G HA3 0.583 4.544 3.960 0.001 0.000 0.303 475 G C -0.741 174.335 174.900 0.293 0.000 1.166 475 G CA -1.043 44.267 45.100 0.351 0.000 0.884 475 G HN 0.724 nan 8.290 nan 0.000 0.514 476 R N -0.414 120.260 120.500 0.290 0.000 2.404 476 R HA 0.597 4.937 4.340 0.001 0.000 0.291 476 R C -0.950 175.438 176.300 0.146 0.000 1.025 476 R CA -0.504 55.687 56.100 0.152 0.000 0.991 476 R CB 1.077 31.478 30.300 0.168 0.000 1.053 476 R HN 0.250 nan 8.270 nan 0.000 0.479 477 T N 2.360 116.964 114.554 0.084 0.000 2.770 477 T HA 0.102 4.453 4.350 0.001 0.000 0.283 477 T C -0.611 174.157 174.700 0.114 0.000 0.988 477 T CA -0.622 61.578 62.100 0.166 0.000 0.957 477 T CB 1.264 70.309 68.868 0.294 0.000 0.930 477 T HN 0.681 nan 8.240 nan 0.000 0.443 478 E N 4.448 124.723 120.200 0.124 0.000 2.480 478 E HA 0.070 4.421 4.350 0.001 0.000 0.258 478 E C -2.226 174.447 176.600 0.121 0.000 0.984 478 E CA -1.376 55.089 56.400 0.108 0.000 0.930 478 E CB 0.421 30.178 29.700 0.095 0.000 0.936 478 E HN 0.184 nan 8.360 nan 0.000 0.466 479 P HA 0.097 nan 4.420 nan 0.000 0.271 479 P C -1.229 176.224 177.300 0.253 0.000 1.226 479 P CA 0.157 63.389 63.100 0.220 0.000 0.765 479 P CB 0.641 32.487 31.700 0.243 0.000 0.835 480 K N 2.532 123.034 120.400 0.170 0.000 2.427 480 K HA 0.157 4.478 4.320 0.001 0.000 0.252 480 K C 0.876 177.327 176.600 -0.248 0.000 0.931 480 K CA -0.643 55.668 56.287 0.040 0.000 0.793 480 K CB 2.386 34.862 32.500 -0.040 0.000 1.211 480 K HN 0.440 nan 8.250 nan 0.000 0.426 481 E N 2.221 122.126 120.200 -0.491 0.000 2.110 481 E HA -0.205 4.145 4.350 0.001 0.000 0.193 481 E C 1.005 177.340 176.600 -0.441 0.000 0.988 481 E CA 1.455 57.278 56.400 -0.962 0.000 0.804 481 E CB 0.452 29.802 29.700 -0.582 0.000 0.745 481 E HN 0.559 nan 8.360 nan 0.000 0.458 482 E N 0.423 120.477 120.200 -0.244 0.000 2.338 482 E HA -0.118 4.232 4.350 0.001 0.000 0.197 482 E C -0.017 176.517 176.600 -0.109 0.000 1.007 482 E CA 0.329 56.641 56.400 -0.147 0.000 0.849 482 E CB -0.293 29.339 29.700 -0.113 0.000 0.774 482 E HN 0.080 nan 8.360 nan 0.000 0.506 483 N N 2.013 120.638 118.700 -0.125 0.000 2.411 483 N HA 0.180 4.920 4.740 0.001 0.000 0.259 483 N C -0.738 174.825 175.510 0.089 0.000 1.103 483 N CA 0.139 53.171 53.050 -0.031 0.000 0.954 483 N CB 1.115 39.551 38.487 -0.086 0.000 1.085 483 N HN 0.120 nan 8.380 nan 0.000 0.485 484 K N 1.105 121.614 120.400 0.181 0.000 2.477 484 K HA 0.482 4.802 4.320 0.001 0.000 0.255 484 K C -1.159 175.592 176.600 0.251 0.000 0.952 484 K CA -0.924 55.488 56.287 0.209 0.000 0.826 484 K CB 2.390 35.014 32.500 0.206 0.000 1.331 484 K HN 0.175 nan 8.250 nan 0.000 0.437 485 L N 3.711 125.025 121.223 0.152 0.000 2.319 485 L HA 0.574 4.914 4.340 0.001 0.000 0.281 485 L C -1.307 175.501 176.870 -0.104 0.000 1.005 485 L CA -0.092 54.669 54.840 -0.132 0.000 0.828 485 L CB 0.568 42.546 42.059 -0.135 0.000 1.227 485 L HN 0.712 nan 8.230 nan 0.000 0.415 486 W N 3.663 124.687 121.300 -0.460 0.000 3.021 486 W HA 0.672 5.332 4.660 0.001 0.000 0.337 486 W C -2.143 173.927 176.519 -0.749 0.000 1.171 486 W CA -1.258 55.868 57.345 -0.365 0.000 1.060 486 W CB 0.916 30.308 29.460 -0.113 0.000 1.472 486 W HN 0.345 nan 8.180 nan 0.000 0.594 487 F N 1.400 121.531 119.950 0.302 0.000 2.547 487 F HA 0.334 4.862 4.527 0.001 0.000 0.316 487 F C 0.725 176.681 175.800 0.261 0.000 1.121 487 F CA -0.923 57.137 58.000 0.101 0.000 0.911 487 F CB 2.099 41.144 39.000 0.075 0.000 1.179 487 F HN 0.263 nan 8.300 nan 0.000 0.443 488 S N 0.994 116.832 115.700 0.230 0.000 2.572 488 S HA 0.055 4.525 4.470 0.001 0.000 0.279 488 S C 0.718 175.466 174.600 0.247 0.000 1.341 488 S CA -0.404 57.964 58.200 0.279 0.000 1.043 488 S CB 0.389 63.659 63.200 0.116 0.000 0.887 488 S HN 0.706 nan 8.310 nan 0.000 0.516 489 D N 2.511 123.043 120.400 0.220 0.000 2.339 489 D HA 0.185 4.825 4.640 0.001 0.000 0.217 489 D C 0.924 177.287 176.300 0.104 0.000 1.050 489 D CA 0.284 54.368 54.000 0.141 0.000 0.856 489 D CB 0.254 41.121 40.800 0.112 0.000 0.922 489 D HN 0.278 nan 8.370 nan 0.000 0.518 490 K N -0.374 120.092 120.400 0.109 0.000 2.485 490 K HA 0.201 4.522 4.320 0.001 0.000 0.200 490 K C 0.213 176.855 176.600 0.070 0.000 1.352 490 K CA 0.016 56.351 56.287 0.080 0.000 0.953 490 K CB 1.191 33.739 32.500 0.080 0.000 1.387 490 K HN 0.064 nan 8.250 nan 0.000 0.512 491 I N 3.171 123.785 120.570 0.074 0.000 2.472 491 I HA 0.144 4.315 4.170 0.001 0.000 0.290 491 I C 0.703 176.856 176.117 0.059 0.000 1.016 491 I CA -0.067 61.266 61.300 0.054 0.000 1.348 491 I CB 0.978 38.999 38.000 0.034 0.000 1.417 491 I HN 0.110 nan 8.210 nan 0.000 0.521 492 T N 1.113 115.698 114.554 0.052 0.000 2.924 492 T HA 0.581 4.931 4.350 0.001 0.000 0.291 492 T C -0.345 174.391 174.700 0.059 0.000 1.045 492 T CA -0.892 61.246 62.100 0.063 0.000 1.015 492 T CB 2.387 71.289 68.868 0.056 0.000 1.103 492 T HN 0.554 nan 8.240 nan 0.000 0.496 493 D N 0.746 121.198 120.400 0.086 0.000 2.478 493 D HA 0.447 5.087 4.640 0.001 0.000 0.274 493 D C 1.551 177.888 176.300 0.061 0.000 1.234 493 D CA -0.417 53.639 54.000 0.093 0.000 1.069 493 D CB 0.032 40.928 40.800 0.159 0.000 1.113 493 D HN 0.665 nan 8.370 nan 0.000 0.571 494 A N -1.396 121.446 122.820 0.037 0.000 2.121 494 A HA -0.080 4.240 4.320 0.001 0.000 0.218 494 A C 1.134 178.536 177.584 -0.303 0.000 1.154 494 A CA 0.735 52.690 52.037 -0.137 0.000 0.679 494 A CB -0.914 17.960 19.000 -0.210 0.000 0.795 494 A HN 0.543 nan 8.150 nan 0.000 0.458 495 Y N -1.211 119.107 120.300 0.030 0.000 2.571 495 Y HA 0.238 4.788 4.550 0.001 0.000 0.275 495 Y C 0.751 176.677 175.900 0.044 0.000 1.179 495 Y CA -0.195 57.926 58.100 0.036 0.000 1.242 495 Y CB -0.382 38.083 38.460 0.008 0.000 1.126 495 Y HN 0.440 nan 8.280 nan 0.000 0.524 496 N N -0.055 118.714 118.700 0.115 0.000 2.747 496 N HA -0.169 4.571 4.740 0.001 0.000 0.249 496 N C -0.744 174.816 175.510 0.084 0.000 1.107 496 N CA 0.513 53.610 53.050 0.079 0.000 0.707 496 N CB -0.470 38.049 38.487 0.053 0.000 1.054 496 N HN 0.126 nan 8.380 nan 0.000 0.555 497 M N -0.233 119.432 119.600 0.109 0.000 2.537 497 M HA 0.428 4.908 4.480 0.001 0.000 0.324 497 M C -2.153 174.210 176.300 0.105 0.000 1.187 497 M CA -2.017 53.334 55.300 0.086 0.000 0.993 497 M CB 0.695 33.342 32.600 0.079 0.000 1.666 497 M HN -0.246 nan 8.290 nan 0.000 0.461 498 P HA -0.008 nan 4.420 nan 0.000 0.261 498 P C -0.604 176.855 177.300 0.265 0.000 1.183 498 P CA 0.072 63.268 63.100 0.160 0.000 0.761 498 P CB 0.217 32.009 31.700 0.154 0.000 0.785 499 Q N 6.997 126.896 119.800 0.165 0.000 2.271 499 Q HA 0.158 4.498 4.340 0.001 0.000 0.273 499 Q C -2.255 173.709 176.000 -0.060 0.000 1.051 499 Q CA -1.954 53.894 55.803 0.074 0.000 0.901 499 Q CB -0.261 28.472 28.738 -0.009 0.000 1.174 499 Q HN 0.290 nan 8.270 nan 0.000 0.385 500 P HA 0.093 nan 4.420 nan 0.000 0.268 500 P C -1.058 175.755 177.300 -0.812 0.000 1.205 500 P CA -0.065 62.621 63.100 -0.690 0.000 0.771 500 P CB 0.952 32.360 31.700 -0.487 0.000 0.858 501 T N 3.117 116.960 114.554 -1.185 0.000 2.991 501 T HA 0.480 4.830 4.350 0.001 0.000 0.303 501 T C -0.576 173.455 174.700 -1.114 0.000 1.015 501 T CA -0.142 61.275 62.100 -1.140 0.000 1.007 501 T CB 0.402 68.278 68.868 -1.653 0.000 1.034 501 T HN 0.036 nan 8.240 nan 0.000 0.446 502 F N 1.985 121.669 119.950 -0.444 0.000 2.399 502 F HA 0.512 5.040 4.527 0.001 0.000 0.334 502 F C 0.751 176.512 175.800 -0.066 0.000 1.097 502 F CA -0.874 56.992 58.000 -0.224 0.000 1.076 502 F CB 1.003 39.916 39.000 -0.147 0.000 1.162 502 F HN 0.394 nan 8.300 nan 0.000 0.495 503 D N 3.379 123.959 120.400 0.299 0.000 2.408 503 D HA 0.219 4.859 4.640 0.001 0.000 0.261 503 D C -1.750 174.688 176.300 0.230 0.000 1.190 503 D CA -0.108 54.052 54.000 0.267 0.000 0.910 503 D CB 0.216 41.205 40.800 0.314 0.000 1.097 503 D HN 0.287 nan 8.370 nan 0.000 0.522 504 F N 3.040 122.990 119.950 0.001 0.000 2.569 504 F HA 0.583 5.111 4.527 0.001 0.000 0.312 504 F C -1.142 174.554 175.800 -0.174 0.000 1.109 504 F CA -0.599 57.333 58.000 -0.114 0.000 0.919 504 F CB 1.392 40.261 39.000 -0.219 0.000 1.211 504 F HN -0.003 nan 8.300 nan 0.000 0.446 505 R N 4.296 124.281 120.500 -0.859 0.000 2.698 505 R HA 0.355 4.695 4.340 0.001 0.000 0.275 505 R C -1.672 174.000 176.300 -1.047 0.000 1.001 505 R CA -0.947 54.758 56.100 -0.657 0.000 0.896 505 R CB 1.859 31.993 30.300 -0.277 0.000 1.218 505 R HN 0.583 nan 8.270 nan 0.000 0.462 506 F N 2.886 122.618 119.950 -0.363 0.000 2.543 506 F HA 0.177 4.704 4.527 0.001 0.000 0.375 506 F C -1.340 174.337 175.800 -0.205 0.000 1.075 506 F CA -1.159 56.714 58.000 -0.212 0.000 1.225 506 F CB -0.056 38.941 39.000 -0.005 0.000 1.099 506 F HN 0.131 nan 8.300 nan 0.000 0.561 507 P HA 0.133 nan 4.420 nan 0.000 0.268 507 P C -0.592 176.720 177.300 0.020 0.000 1.205 507 P CA -0.192 62.886 63.100 -0.037 0.000 0.771 507 P CB 0.565 32.257 31.700 -0.012 0.000 0.858 508 A N 2.682 125.501 122.820 -0.002 0.000 2.386 508 A HA 0.562 4.883 4.320 0.001 0.000 0.246 508 A C 1.111 178.709 177.584 0.022 0.000 1.089 508 A CA 0.799 52.841 52.037 0.008 0.000 0.790 508 A CB -0.957 18.040 19.000 -0.004 0.000 1.042 508 A HN 0.827 nan 8.150 nan 0.000 0.497 509 G N -0.007 108.808 108.800 0.026 0.000 2.503 509 G HA2 -0.248 3.713 3.960 0.001 0.000 0.235 509 G HA3 -0.248 3.713 3.960 0.001 0.000 0.235 509 G C 1.032 175.961 174.900 0.049 0.000 1.179 509 G CA 0.727 45.847 45.100 0.035 0.000 0.944 509 G HN 1.015 nan 8.290 nan 0.000 0.580 510 R N -0.141 120.394 120.500 0.059 0.000 2.091 510 R HA -0.087 4.254 4.340 0.001 0.000 0.238 510 R C 2.813 179.170 176.300 0.095 0.000 1.136 510 R CA 2.748 58.893 56.100 0.076 0.000 0.959 510 R CB -0.917 29.430 30.300 0.078 0.000 0.856 510 R HN 0.628 nan 8.270 nan 0.000 0.437 511 T N 0.091 114.704 114.554 0.099 0.000 2.684 511 T HA -0.121 4.230 4.350 0.001 0.000 0.267 511 T C 1.938 176.694 174.700 0.094 0.000 1.036 511 T CA 1.859 64.033 62.100 0.124 0.000 1.148 511 T CB -0.188 68.773 68.868 0.156 0.000 0.863 511 T HN 0.280 nan 8.240 nan 0.000 0.436 512 S N 0.594 116.332 115.700 0.064 0.000 2.357 512 S HA -0.033 4.437 4.470 0.001 0.000 0.221 512 S C 2.025 176.636 174.600 0.018 0.000 1.031 512 S CA 1.017 59.224 58.200 0.013 0.000 0.982 512 S CB -0.217 62.986 63.200 0.005 0.000 0.853 512 S HN 0.502 nan 8.310 nan 0.000 0.458 513 K N 1.341 121.768 120.400 0.045 0.000 2.044 513 K HA -0.172 4.148 4.320 0.001 0.000 0.210 513 K C 1.960 178.619 176.600 0.099 0.000 1.049 513 K CA 1.605 57.929 56.287 0.061 0.000 0.927 513 K CB -0.133 32.407 32.500 0.068 0.000 0.713 513 K HN 0.360 nan 8.250 nan 0.000 0.443 514 E N -0.262 120.021 120.200 0.138 0.000 2.106 514 E HA -0.174 4.176 4.350 0.001 0.000 0.192 514 E C 1.976 178.683 176.600 0.178 0.000 0.984 514 E CA 0.896 57.437 56.400 0.233 0.000 0.806 514 E CB -0.097 29.765 29.700 0.270 0.000 0.750 514 E HN 0.464 nan 8.360 nan 0.000 0.458 515 A N 1.401 124.288 122.820 0.112 0.000 1.883 515 A HA -0.260 4.060 4.320 0.001 0.000 0.217 515 A C 2.083 179.752 177.584 0.140 0.000 1.186 515 A CA 1.852 53.952 52.037 0.103 0.000 0.624 515 A CB -0.429 18.570 19.000 -0.001 0.000 0.822 515 A HN 0.146 nan 8.150 nan 0.000 0.444 516 E N 0.484 120.739 120.200 0.092 0.000 2.072 516 E HA -0.165 4.186 4.350 0.001 0.000 0.191 516 E C 1.372 177.970 176.600 -0.004 0.000 0.985 516 E CA 1.565 58.020 56.400 0.091 0.000 0.801 516 E CB -0.319 29.402 29.700 0.035 0.000 0.750 516 E HN 0.528 nan 8.360 nan 0.000 0.452 517 D N -0.108 120.289 120.400 -0.005 0.000 2.149 517 D HA -0.199 4.441 4.640 0.001 0.000 0.198 517 D C 1.921 177.991 176.300 -0.384 0.000 0.990 517 D CA 1.300 55.280 54.000 -0.032 0.000 0.839 517 D CB -0.341 40.574 40.800 0.192 0.000 0.948 517 D HN 0.327 nan 8.370 nan 0.000 0.460 518 M N -0.322 118.854 119.600 -0.707 0.000 2.099 518 M HA -0.194 4.286 4.480 0.001 0.000 0.262 518 M C 2.074 177.961 176.300 -0.689 0.000 1.067 518 M CA 1.192 55.721 55.300 -1.286 0.000 1.124 518 M CB -0.014 32.067 32.600 -0.865 0.000 1.353 518 M HN -0.034 nan 8.290 nan 0.000 0.410 519 M N 0.536 119.867 119.600 -0.448 0.000 2.073 519 M HA -0.190 4.290 4.480 0.001 0.000 0.258 519 M C 1.818 177.907 176.300 -0.352 0.000 1.070 519 M CA 2.564 57.597 55.300 -0.444 0.000 1.103 519 M CB -1.093 31.331 32.600 -0.295 0.000 1.321 519 M HN 0.293 nan 8.290 nan 0.000 0.405 520 T N 0.026 114.443 114.554 -0.228 0.000 2.684 520 T HA -0.189 4.162 4.350 0.001 0.000 0.267 520 T C 1.516 176.140 174.700 -0.126 0.000 1.036 520 T CA 1.878 63.896 62.100 -0.136 0.000 1.148 520 T CB -0.670 68.163 68.868 -0.058 0.000 0.863 520 T HN 0.545 nan 8.240 nan 0.000 0.436 521 D N 0.444 120.762 120.400 -0.137 0.000 2.123 521 D HA -0.084 4.557 4.640 0.001 0.000 0.196 521 D C 2.055 178.328 176.300 -0.045 0.000 0.992 521 D CA 0.934 54.954 54.000 0.033 0.000 0.833 521 D CB -0.221 40.704 40.800 0.207 0.000 0.954 521 D HN 0.309 nan 8.370 nan 0.000 0.455 522 M N -0.572 118.759 119.600 -0.448 0.000 2.117 522 M HA -0.165 4.315 4.480 0.001 0.000 0.262 522 M C 1.960 177.954 176.300 -0.510 0.000 1.065 522 M CA 1.290 56.060 55.300 -0.884 0.000 1.114 522 M CB -0.138 31.703 32.600 -1.265 0.000 1.361 522 M HN 0.189 nan 8.290 nan 0.000 0.408 523 C N -0.297 118.807 119.300 -0.327 0.000 2.432 523 C HA -0.121 4.339 4.460 0.001 0.000 0.277 523 C C 2.667 177.570 174.990 -0.145 0.000 1.249 523 C CA 0.980 59.917 59.018 -0.135 0.000 1.725 523 C CB -0.997 26.707 27.740 -0.061 0.000 2.028 523 C HN 0.506 nan 8.230 nan 0.000 0.477 524 V N 0.572 120.429 119.914 -0.095 0.000 2.295 524 V HA -0.304 3.816 4.120 0.001 0.000 0.246 524 V C 2.385 178.467 176.094 -0.021 0.000 1.049 524 V CA 2.344 64.621 62.300 -0.037 0.000 1.024 524 V CB -0.695 31.157 31.823 0.047 0.000 0.648 524 V HN 0.589 nan 8.190 nan 0.000 0.447 525 M N 0.792 120.419 119.600 0.045 0.000 2.132 525 M HA -0.161 4.319 4.480 0.001 0.000 0.263 525 M C 2.469 178.670 176.300 -0.164 0.000 1.065 525 M CA 2.283 57.683 55.300 0.166 0.000 1.122 525 M CB -0.196 32.656 32.600 0.420 0.000 1.365 525 M HN 0.559 nan 8.290 nan 0.000 0.411 526 S N 0.482 115.769 115.700 -0.688 0.000 2.399 526 S HA -0.057 4.414 4.470 0.001 0.000 0.231 526 S C 1.970 176.209 174.600 -0.602 0.000 1.022 526 S CA 0.971 58.362 58.200 -1.348 0.000 0.983 526 S CB -0.838 61.330 63.200 -1.719 0.000 0.803 526 S HN 0.568 nan 8.310 nan 0.000 0.480 527 A N 2.003 124.567 122.820 -0.426 0.000 2.070 527 A HA -0.003 4.317 4.320 0.001 0.000 0.220 527 A C 2.146 179.615 177.584 -0.192 0.000 1.159 527 A CA 1.302 53.138 52.037 -0.335 0.000 0.656 527 A CB -0.534 18.286 19.000 -0.299 0.000 0.800 527 A HN 0.647 nan 8.150 nan 0.000 0.453 528 K N -0.608 119.726 120.400 -0.110 0.000 2.365 528 K HA 0.035 4.355 4.320 0.001 0.000 0.199 528 K C 1.159 177.759 176.600 0.000 0.000 1.045 528 K CA 0.728 56.994 56.287 -0.036 0.000 0.962 528 K CB 0.001 32.517 32.500 0.028 0.000 0.759 528 K HN 0.412 nan 8.250 nan 0.000 0.469 529 I N -0.620 119.963 120.570 0.022 0.000 3.039 529 I HA 0.144 4.315 4.170 0.001 0.000 0.270 529 I C 1.129 177.263 176.117 0.028 0.000 1.150 529 I CA 0.609 61.966 61.300 0.096 0.000 1.448 529 I CB -0.099 38.092 38.000 0.318 0.000 1.197 529 I HN 0.101 nan 8.210 nan 0.000 0.450 530 G N -0.598 108.169 108.800 -0.054 0.000 2.356 530 G HA2 0.462 4.422 3.960 0.001 0.000 0.294 530 G HA3 0.462 4.422 3.960 0.001 0.000 0.294 530 G C -0.652 174.109 174.900 -0.232 0.000 1.423 530 G CA -0.164 44.877 45.100 -0.098 0.000 0.806 530 G HN 0.290 nan 8.290 nan 0.000 0.527 531 G N -1.101 107.553 108.800 -0.243 0.000 2.599 531 G HA2 0.545 4.505 3.960 0.001 0.000 0.264 531 G HA3 0.545 4.505 3.960 0.001 0.000 0.264 531 G C -0.238 174.475 174.900 -0.313 0.000 1.200 531 G CA -0.523 44.338 45.100 -0.398 0.000 0.896 531 G HN 0.455 nan 8.290 nan 0.000 0.536 532 F N -0.706 119.149 119.950 -0.158 0.000 2.563 532 F HA 0.182 4.709 4.527 0.001 0.000 0.363 532 F C 0.740 176.478 175.800 -0.103 0.000 1.123 532 F CA -0.820 57.079 58.000 -0.168 0.000 1.307 532 F CB 0.594 39.484 39.000 -0.182 0.000 1.115 532 F HN 0.164 nan 8.300 nan 0.000 0.592 533 L N 6.141 127.427 121.223 0.105 0.000 2.369 533 L HA 0.365 4.705 4.340 0.001 0.000 0.279 533 L C -2.390 174.523 176.870 0.071 0.000 1.108 533 L CA -1.840 53.039 54.840 0.066 0.000 0.852 533 L CB -0.114 41.977 42.059 0.054 0.000 1.169 533 L HN 0.284 nan 8.230 nan 0.000 0.452 534 P HA 0.187 nan 4.420 nan 0.000 0.264 534 P C 0.664 178.011 177.300 0.079 0.000 1.183 534 P CA 1.027 64.164 63.100 0.063 0.000 0.763 534 P CB 0.667 32.399 31.700 0.053 0.000 0.807 535 G N 1.933 110.775 108.800 0.070 0.000 2.217 535 G HA2 -0.237 3.724 3.960 0.001 0.000 0.246 535 G HA3 -0.237 3.724 3.960 0.001 0.000 0.246 535 G C 0.509 175.488 174.900 0.132 0.000 0.990 535 G CA 0.219 45.379 45.100 0.101 0.000 0.627 535 G HN 0.527 nan 8.290 nan 0.000 0.522 536 S N 0.865 116.615 115.700 0.084 0.000 2.474 536 S HA 0.530 5.000 4.470 0.001 0.000 0.224 536 S C 0.462 174.967 174.600 -0.160 0.000 1.209 536 S CA -0.528 57.703 58.200 0.052 0.000 1.212 536 S CB 0.250 63.459 63.200 0.015 0.000 1.137 536 S HN 0.464 nan 8.310 nan 0.000 0.446 537 L N 2.834 123.962 121.223 -0.158 0.000 2.453 537 L HA 0.357 4.697 4.340 0.001 0.000 0.261 537 L C -1.922 174.652 176.870 -0.492 0.000 1.179 537 L CA -2.154 52.463 54.840 -0.371 0.000 0.813 537 L CB 0.028 41.938 42.059 -0.248 0.000 1.110 537 L HN 0.096 nan 8.230 nan 0.000 0.466 538 P HA 0.009 nan 4.420 nan 0.000 0.267 538 P C -1.537 175.527 177.300 -0.392 0.000 1.205 538 P CA 0.051 62.754 63.100 -0.663 0.000 0.765 538 P CB 0.608 31.807 31.700 -0.835 0.000 0.828 539 Q N 1.848 121.456 119.800 -0.320 0.000 2.426 539 Q HA 0.454 4.795 4.340 0.001 0.000 0.278 539 Q C -1.482 174.369 176.000 -0.248 0.000 1.007 539 Q CA -0.871 54.831 55.803 -0.169 0.000 0.850 539 Q CB 0.641 29.356 28.738 -0.038 0.000 1.427 539 Q HN 0.116 nan 8.270 nan 0.000 0.391 540 F N 1.786 121.682 119.950 -0.089 0.000 2.443 540 F HA 0.281 4.808 4.527 0.001 0.000 0.353 540 F C 0.553 176.327 175.800 -0.044 0.000 1.101 540 F CA -0.321 57.629 58.000 -0.083 0.000 1.226 540 F CB 0.879 39.818 39.000 -0.102 0.000 1.140 540 F HN 0.411 nan 8.300 nan 0.000 0.557 541 M N 2.102 121.755 119.600 0.089 0.000 2.250 541 M HA 0.101 4.581 4.480 0.001 0.000 0.344 541 M C 0.318 176.670 176.300 0.086 0.000 1.150 541 M CA -0.517 54.813 55.300 0.049 0.000 1.147 541 M CB 0.405 32.998 32.600 -0.012 0.000 1.498 541 M HN 0.602 nan 8.290 nan 0.000 0.461 542 E N 3.712 123.939 120.200 0.045 0.000 2.653 542 E HA -0.052 4.298 4.350 0.001 0.000 0.264 542 E C -2.144 174.488 176.600 0.054 0.000 0.949 542 E CA -0.983 55.441 56.400 0.040 0.000 0.953 542 E CB 0.294 29.992 29.700 -0.003 0.000 0.925 542 E HN 0.235 nan 8.360 nan 0.000 0.475 543 P HA 0.051 nan 4.420 nan 0.000 0.263 543 P C 0.334 177.572 177.300 -0.103 0.000 1.195 543 P CA 1.081 64.230 63.100 0.082 0.000 0.762 543 P CB 0.705 32.442 31.700 0.062 0.000 0.799 544 G N 2.544 111.287 108.800 -0.095 0.000 2.217 544 G HA2 -0.320 3.640 3.960 0.001 0.000 0.246 544 G HA3 -0.320 3.640 3.960 0.001 0.000 0.246 544 G C 0.762 175.628 174.900 -0.056 0.000 0.990 544 G CA 0.169 45.172 45.100 -0.162 0.000 0.627 544 G HN 0.515 nan 8.290 nan 0.000 0.522 545 L N 0.972 122.183 121.223 -0.019 0.000 2.127 545 L HA 0.089 4.429 4.340 0.001 0.000 0.211 545 L C 2.851 179.749 176.870 0.047 0.000 1.089 545 L CA 2.536 57.376 54.840 -0.001 0.000 0.757 545 L CB -0.411 41.639 42.059 -0.017 0.000 0.899 545 L HN 0.459 nan 8.230 nan 0.000 0.434 546 V N -0.275 119.690 119.914 0.086 0.000 2.594 546 V HA -0.176 3.944 4.120 0.001 0.000 0.253 546 V C 1.520 177.734 176.094 0.201 0.000 1.069 546 V CA 1.167 63.574 62.300 0.179 0.000 1.082 546 V CB -0.290 31.673 31.823 0.234 0.000 0.680 546 V HN 0.489 nan 8.190 nan 0.000 0.469 547 L N 0.531 121.834 121.223 0.132 0.000 3.597 547 L HA -0.192 4.149 4.340 0.001 0.000 0.440 547 L C 0.115 177.090 176.870 0.175 0.000 1.277 547 L CA 0.575 55.494 54.840 0.132 0.000 0.852 547 L CB -1.921 40.230 42.059 0.153 0.000 1.708 547 L HN 0.448 nan 8.230 nan 0.000 0.885 548 N N 0.472 119.284 118.700 0.187 0.000 2.416 548 N HA 0.252 4.993 4.740 0.001 0.000 0.267 548 N C -0.099 175.561 175.510 0.251 0.000 1.294 548 N CA -0.392 52.816 53.050 0.264 0.000 0.891 548 N CB 0.602 39.294 38.487 0.342 0.000 1.238 548 N HN 0.244 nan 8.380 nan 0.000 0.508 549 L N 1.119 122.429 121.223 0.146 0.000 2.578 549 L HA 0.333 4.673 4.340 0.001 0.000 0.279 549 L C 0.711 177.696 176.870 0.191 0.000 1.227 549 L CA 0.609 55.512 54.840 0.106 0.000 0.900 549 L CB 0.058 42.151 42.059 0.056 0.000 1.144 549 L HN 0.212 nan 8.230 nan 0.000 0.496 550 G N 1.922 110.849 108.800 0.210 0.000 2.733 550 G HA2 0.535 4.495 3.960 0.001 0.000 0.288 550 G HA3 0.535 4.495 3.960 0.001 0.000 0.288 550 G C 0.293 175.291 174.900 0.163 0.000 1.373 550 G CA -0.312 44.941 45.100 0.255 0.000 0.895 550 G HN 1.336 nan 8.290 nan 0.000 0.479 551 G N -1.138 107.728 108.800 0.110 0.000 2.155 551 G HA2 -0.233 3.727 3.960 0.001 0.000 0.257 551 G HA3 -0.233 3.727 3.960 0.001 0.000 0.257 551 G C 1.271 176.229 174.900 0.097 0.000 0.983 551 G CA 1.652 46.820 45.100 0.113 0.000 0.676 551 G HN 1.863 nan 8.290 nan 0.000 0.528 552 T N -2.293 112.266 114.554 0.008 0.000 2.995 552 T HA 0.158 4.509 4.350 0.001 0.000 0.269 552 T C 1.034 175.814 174.700 0.133 0.000 1.091 552 T CA 1.759 63.907 62.100 0.080 0.000 1.128 552 T CB -0.225 68.701 68.868 0.097 0.000 0.891 552 T HN 1.494 nan 8.240 nan 0.000 0.492 553 H N -0.146 118.994 119.070 0.116 0.000 2.695 553 H HA 0.462 5.019 4.556 0.001 0.000 0.222 553 H C -0.190 175.175 175.328 0.061 0.000 1.412 553 H CA -1.346 54.744 56.048 0.070 0.000 1.347 553 H CB -0.313 29.455 29.762 0.010 0.000 1.858 553 H HN 0.349 nan 8.280 nan 0.000 0.519 554 R N 0.812 121.398 120.500 0.143 0.000 2.582 554 R HA 0.372 4.713 4.340 0.001 0.000 0.271 554 R C -0.365 175.992 176.300 0.096 0.000 1.078 554 R CA -0.822 55.334 56.100 0.093 0.000 1.127 554 R CB 1.132 31.484 30.300 0.088 0.000 1.038 554 R HN 0.464 nan 8.270 nan 0.000 0.500 555 M N 1.500 121.133 119.600 0.055 0.000 2.249 555 M HA 0.447 4.927 4.480 0.001 0.000 0.351 555 M C -0.580 175.715 176.300 -0.008 0.000 1.180 555 M CA 0.197 55.502 55.300 0.009 0.000 1.127 555 M CB 1.550 34.133 32.600 -0.029 0.000 1.546 555 M HN 0.948 nan 8.290 nan 0.000 0.461 556 G N 2.219 111.020 108.800 0.002 0.000 2.600 556 G HA2 0.428 4.388 3.960 0.001 0.000 0.293 556 G HA3 0.428 4.388 3.960 0.001 0.000 0.293 556 G C -0.883 174.005 174.900 -0.019 0.000 1.408 556 G CA -0.688 44.373 45.100 -0.065 0.000 0.782 556 G HN 0.683 nan 8.290 nan 0.000 0.482 557 F N -0.023 120.024 119.950 0.161 0.000 2.163 557 F HA 0.233 4.760 4.527 0.001 0.000 0.297 557 F C 1.151 177.064 175.800 0.188 0.000 1.094 557 F CA 1.142 59.237 58.000 0.158 0.000 1.290 557 F CB 0.285 39.339 39.000 0.089 0.000 1.017 557 F HN 0.368 nan 8.300 nan 0.000 0.483 558 D N -0.963 119.586 120.400 0.248 0.000 2.629 558 D HA 0.134 4.775 4.640 0.001 0.000 0.250 558 D C 0.758 176.905 176.300 -0.256 0.000 1.126 558 D CA -0.234 53.761 54.000 -0.009 0.000 0.852 558 D CB 1.347 42.159 40.800 0.020 0.000 1.335 558 D HN 0.089 nan 8.370 nan 0.000 0.518 559 E N 3.080 122.807 120.200 -0.788 0.000 2.070 559 E HA -0.270 4.081 4.350 0.001 0.000 0.197 559 E C 1.323 177.755 176.600 -0.280 0.000 1.004 559 E CA 1.216 57.127 56.400 -0.814 0.000 0.805 559 E CB 0.282 29.350 29.700 -1.052 0.000 0.744 559 E HN 0.429 nan 8.360 nan 0.000 0.451 560 K N 0.155 120.433 120.400 -0.203 0.000 2.021 560 K HA -0.119 4.201 4.320 0.001 0.000 0.205 560 K C 2.039 178.608 176.600 -0.052 0.000 1.047 560 K CA 1.264 57.498 56.287 -0.089 0.000 0.943 560 K CB 0.052 32.513 32.500 -0.065 0.000 0.725 560 K HN 0.077 nan 8.250 nan 0.000 0.439 561 E N 0.252 120.424 120.200 -0.047 0.000 2.106 561 E HA -0.128 4.222 4.350 0.001 0.000 0.192 561 E C 0.670 177.266 176.600 -0.007 0.000 0.984 561 E CA 1.009 57.403 56.400 -0.011 0.000 0.806 561 E CB 0.194 29.899 29.700 0.009 0.000 0.750 561 E HN 0.333 nan 8.360 nan 0.000 0.458 562 D N 0.118 120.509 120.400 -0.014 0.000 2.368 562 D HA 0.057 4.697 4.640 0.001 0.000 0.218 562 D C -0.653 175.589 176.300 -0.096 0.000 1.112 562 D CA -0.028 53.961 54.000 -0.020 0.000 0.834 562 D CB 0.077 40.904 40.800 0.045 0.000 0.953 562 D HN 0.066 nan 8.370 nan 0.000 0.505 563 N N 0.660 119.299 118.700 -0.102 0.000 2.667 563 N HA -0.194 4.546 4.740 0.001 0.000 0.263 563 N C -0.265 175.184 175.510 -0.101 0.000 1.038 563 N CA 0.611 53.581 53.050 -0.132 0.000 0.749 563 N CB -1.323 36.954 38.487 -0.351 0.000 0.892 563 N HN 0.420 nan 8.380 nan 0.000 0.546 564 C N -3.440 115.874 119.300 0.023 0.000 3.213 564 C HA 0.777 5.238 4.460 0.001 0.000 0.319 564 C C 1.388 176.561 174.990 0.304 0.000 1.386 564 C CA -0.670 58.434 59.018 0.143 0.000 1.494 564 C CB 1.573 29.412 27.740 0.165 0.000 1.905 564 C HN 0.477 nan 8.230 nan 0.000 0.456 565 C N 0.288 119.786 119.300 0.330 0.000 3.123 565 C HA 0.495 4.956 4.460 0.001 0.000 0.399 565 C C 0.653 175.719 174.990 0.126 0.000 1.320 565 C CA 0.605 59.804 59.018 0.302 0.000 1.949 565 C CB -0.363 27.479 27.740 0.169 0.000 2.692 565 C HN 0.971 nan 8.230 nan 0.000 0.623 566 V N 1.288 121.152 119.914 -0.083 0.000 2.962 566 V HA 0.703 4.823 4.120 0.001 0.000 0.313 566 V C -0.780 174.939 176.094 -0.626 0.000 1.099 566 V CA -0.657 61.346 62.300 -0.493 0.000 0.971 566 V CB 1.530 33.213 31.823 -0.234 0.000 1.028 566 V HN 0.401 nan 8.190 nan 0.000 0.430 567 N N 1.139 119.320 118.700 -0.863 0.000 2.431 567 N HA 0.248 4.988 4.740 0.001 0.000 0.289 567 N C 1.082 176.450 175.510 -0.237 0.000 1.277 567 N CA 0.269 53.060 53.050 -0.433 0.000 0.972 567 N CB -0.089 38.182 38.487 -0.360 0.000 1.143 567 N HN 0.942 nan 8.380 nan 0.000 0.578 568 T N -4.765 109.697 114.554 -0.154 0.000 3.113 568 T HA 0.003 4.354 4.350 0.001 0.000 0.263 568 T C 0.100 174.722 174.700 -0.130 0.000 1.143 568 T CA 0.668 62.678 62.100 -0.151 0.000 1.090 568 T CB -0.385 68.413 68.868 -0.116 0.000 0.922 568 T HN 0.442 nan 8.240 nan 0.000 0.521 569 D N 0.964 121.279 120.400 -0.143 0.000 2.340 569 D HA 0.201 4.841 4.640 0.001 0.000 0.217 569 D C 0.527 176.830 176.300 0.005 0.000 1.081 569 D CA 0.094 54.031 54.000 -0.105 0.000 0.842 569 D CB 0.159 40.784 40.800 -0.292 0.000 0.934 569 D HN 0.333 nan 8.370 nan 0.000 0.511 570 S N 0.219 115.885 115.700 -0.057 0.000 3.490 570 S HA -0.247 4.223 4.470 0.001 0.000 0.301 570 S C 0.533 175.100 174.600 -0.056 0.000 1.233 570 S CA 0.411 58.610 58.200 -0.000 0.000 0.914 570 S CB -1.334 61.947 63.200 0.136 0.000 1.047 570 S HN 0.457 nan 8.310 nan 0.000 0.602 571 R N 1.158 121.487 120.500 -0.286 0.000 2.297 571 R HA 0.480 4.820 4.340 0.001 0.000 0.308 571 R C -0.061 175.905 176.300 -0.557 0.000 1.029 571 R CA -0.428 55.296 56.100 -0.627 0.000 0.929 571 R CB 0.718 30.614 30.300 -0.673 0.000 1.046 571 R HN 0.136 nan 8.270 nan 0.000 0.461 572 V N 6.207 125.833 119.914 -0.481 0.000 2.529 572 V HA 0.007 4.128 4.120 0.001 0.000 0.292 572 V C 0.158 176.173 176.094 -0.132 0.000 1.028 572 V CA 0.197 62.303 62.300 -0.324 0.000 1.074 572 V CB -0.113 31.500 31.823 -0.350 0.000 0.958 572 V HN 0.566 nan 8.190 nan 0.000 0.481 573 F N 3.979 123.961 119.950 0.052 0.000 2.623 573 F HA 0.372 4.900 4.527 0.001 0.000 0.383 573 F C 1.593 177.525 175.800 0.220 0.000 1.077 573 F CA 1.545 59.605 58.000 0.101 0.000 1.268 573 F CB -0.144 38.910 39.000 0.090 0.000 1.053 573 F HN 0.793 nan 8.300 nan 0.000 0.571 574 G N 2.193 111.179 108.800 0.311 0.000 2.284 574 G HA2 -0.304 3.656 3.960 0.001 0.000 0.247 574 G HA3 -0.304 3.656 3.960 0.001 0.000 0.247 574 G C -0.060 174.799 174.900 -0.068 0.000 1.012 574 G CA -0.414 44.757 45.100 0.118 0.000 0.618 574 G HN 0.440 nan 8.290 nan 0.000 0.521 575 F N 1.101 121.076 119.950 0.042 0.000 2.427 575 F HA 0.650 5.177 4.527 0.001 0.000 0.346 575 F C 1.293 177.083 175.800 -0.015 0.000 1.120 575 F CA -0.978 57.034 58.000 0.020 0.000 1.033 575 F CB 1.734 40.746 39.000 0.019 0.000 1.126 575 F HN -0.254 nan 8.300 nan 0.000 0.462 576 K N 1.719 122.223 120.400 0.173 0.000 2.217 576 K HA -0.055 4.265 4.320 0.001 0.000 0.202 576 K C 0.858 177.675 176.600 0.361 0.000 1.051 576 K CA 0.900 57.327 56.287 0.234 0.000 0.952 576 K CB -0.157 32.483 32.500 0.234 0.000 0.736 576 K HN 0.651 nan 8.250 nan 0.000 0.453 577 N N -0.120 118.761 118.700 0.303 0.000 2.305 577 N HA 0.045 4.785 4.740 0.001 0.000 0.248 577 N C -0.744 174.893 175.510 0.213 0.000 1.290 577 N CA -0.354 52.919 53.050 0.371 0.000 0.873 577 N CB -0.019 38.737 38.487 0.448 0.000 1.261 577 N HN -0.065 nan 8.380 nan 0.000 0.504 578 L N 0.668 121.809 121.223 -0.137 0.000 2.349 578 L HA 0.689 5.029 4.340 0.001 0.000 0.278 578 L C -1.815 174.707 176.870 -0.579 0.000 0.996 578 L CA -0.637 54.088 54.840 -0.191 0.000 0.825 578 L CB 0.922 42.850 42.059 -0.218 0.000 1.243 578 L HN -0.033 nan 8.230 nan 0.000 0.412 579 F N 4.975 124.840 119.950 -0.142 0.000 2.551 579 F HA 0.654 5.182 4.527 0.001 0.000 0.316 579 F C -0.567 175.081 175.800 -0.253 0.000 1.089 579 F CA -0.654 57.245 58.000 -0.169 0.000 0.915 579 F CB 1.882 40.810 39.000 -0.119 0.000 1.186 579 F HN 0.190 nan 8.300 nan 0.000 0.456 580 L N 2.144 123.317 121.223 -0.085 0.000 2.346 580 L HA 0.864 5.205 4.340 0.001 0.000 0.276 580 L C 0.079 176.956 176.870 0.010 0.000 1.006 580 L CA -0.825 53.902 54.840 -0.190 0.000 0.817 580 L CB 1.865 43.662 42.059 -0.437 0.000 1.272 580 L HN 0.773 nan 8.230 nan 0.000 0.421 581 G N 0.481 109.301 108.800 0.034 0.000 2.495 581 G HA2 0.782 4.742 3.960 0.001 0.000 0.318 581 G HA3 0.782 4.742 3.960 0.001 0.000 0.318 581 G C -0.449 174.570 174.900 0.197 0.000 1.257 581 G CA -0.270 44.954 45.100 0.207 0.000 0.962 581 G HN 0.963 nan 8.290 nan 0.000 0.483 582 G N -1.019 107.890 108.800 0.181 0.000 2.354 582 G HA2 0.049 4.009 3.960 0.001 0.000 0.582 582 G HA3 0.049 4.009 3.960 0.001 0.000 0.582 582 G C 0.780 175.729 174.900 0.083 0.000 1.316 582 G CA 0.027 45.208 45.100 0.134 0.000 0.995 582 G HN 1.131 nan 8.290 nan 0.000 0.573 583 C N 0.566 119.894 119.300 0.046 0.000 2.419 583 C HA 0.167 4.628 4.460 0.001 0.000 0.281 583 C C 3.080 178.053 174.990 -0.029 0.000 1.336 583 C CA 1.914 60.943 59.018 0.019 0.000 1.770 583 C CB -1.360 26.425 27.740 0.075 0.000 1.929 583 C HN 1.308 nan 8.230 nan 0.000 0.509 584 G N 1.155 109.850 108.800 -0.175 0.000 2.479 584 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 584 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 584 G C 1.411 175.961 174.900 -0.583 0.000 1.115 584 G CA 0.829 45.564 45.100 -0.608 0.000 0.757 584 G HN 0.560 nan 8.290 nan 0.000 0.560 585 N N 0.325 118.903 118.700 -0.204 0.000 2.396 585 N HA 0.019 4.760 4.740 0.001 0.000 0.180 585 N C 0.892 176.420 175.510 0.029 0.000 1.028 585 N CA 0.157 53.220 53.050 0.022 0.000 0.893 585 N CB 0.020 38.565 38.487 0.097 0.000 0.967 585 N HN 0.309 nan 8.380 nan 0.000 0.440 586 I N 3.111 123.701 120.570 0.034 0.000 2.505 586 I HA 0.028 4.198 4.170 0.001 0.000 0.287 586 I C -1.338 174.878 176.117 0.165 0.000 1.104 586 I CA -0.935 60.421 61.300 0.093 0.000 1.387 586 I CB 1.169 39.192 38.000 0.038 0.000 1.404 586 I HN -0.060 nan 8.210 nan 0.000 0.528 587 P HA 0.058 nan 4.420 nan 0.000 0.267 587 P C 0.278 177.667 177.300 0.148 0.000 1.289 587 P CA 0.163 63.337 63.100 0.123 0.000 0.866 587 P CB 0.179 31.912 31.700 0.055 0.000 1.309 588 T N -2.234 112.443 114.554 0.204 0.000 2.881 588 T HA 0.663 5.014 4.350 0.001 0.000 0.278 588 T C 0.228 175.056 174.700 0.214 0.000 0.982 588 T CA -0.827 61.383 62.100 0.182 0.000 0.989 588 T CB 1.237 70.193 68.868 0.147 0.000 1.058 588 T HN 0.068 nan 8.240 nan 0.000 0.529 589 A N 2.151 125.028 122.820 0.096 0.000 2.350 589 A HA 0.585 4.905 4.320 0.001 0.000 0.293 589 A C -0.574 176.964 177.584 -0.076 0.000 1.231 589 A CA -0.844 51.195 52.037 0.004 0.000 0.883 589 A CB -0.945 18.078 19.000 0.038 0.000 1.133 589 A HN 0.897 nan 8.150 nan 0.000 0.533 590 Y N -0.133 120.072 120.300 -0.159 0.000 2.462 590 Y HA 0.703 5.253 4.550 0.001 0.000 0.346 590 Y C 0.718 176.498 175.900 -0.199 0.000 0.976 590 Y CA -0.686 57.145 58.100 -0.449 0.000 1.044 590 Y CB 1.430 39.403 38.460 -0.811 0.000 1.230 590 Y HN 0.379 nan 8.280 nan 0.000 0.455 591 G N 1.029 109.770 108.800 -0.098 0.000 2.673 591 G HA2 0.363 4.323 3.960 0.001 0.000 0.208 591 G HA3 0.363 4.323 3.960 0.001 0.000 0.208 591 G C 0.483 175.487 174.900 0.173 0.000 1.128 591 G CA 0.173 45.405 45.100 0.221 0.000 0.805 591 G HN 0.957 nan 8.290 nan 0.000 0.526 592 A N 0.745 123.511 122.820 -0.090 0.000 2.406 592 A HA 0.449 4.769 4.320 0.001 0.000 0.243 592 A C -0.051 177.518 177.584 -0.025 0.000 1.082 592 A CA -0.446 51.433 52.037 -0.263 0.000 0.786 592 A CB 0.020 18.868 19.000 -0.253 0.000 1.029 592 A HN 0.387 nan 8.150 nan 0.000 0.495 593 N N 2.085 120.655 118.700 -0.216 0.000 2.468 593 N HA 0.249 4.989 4.740 0.001 0.000 0.265 593 N C -1.999 173.595 175.510 0.140 0.000 1.199 593 N CA -0.866 52.171 53.050 -0.021 0.000 0.928 593 N CB 0.497 38.933 38.487 -0.085 0.000 1.059 593 N HN 0.422 nan 8.380 nan 0.000 0.467 594 P HA -0.012 nan 4.420 nan 0.000 0.240 594 P C 0.514 177.775 177.300 -0.066 0.000 1.190 594 P CA 0.668 63.758 63.100 -0.017 0.000 0.781 594 P CB 0.300 31.947 31.700 -0.088 0.000 0.931 595 T N 1.188 115.783 114.554 0.068 0.000 2.684 595 T HA -0.161 4.189 4.350 0.001 0.000 0.267 595 T C 1.785 176.589 174.700 0.172 0.000 1.036 595 T CA 1.152 63.321 62.100 0.114 0.000 1.148 595 T CB -0.932 68.023 68.868 0.145 0.000 0.863 595 T HN 0.023 nan 8.240 nan 0.000 0.436 596 L N 1.087 122.437 121.223 0.213 0.000 2.042 596 L HA -0.133 4.208 4.340 0.001 0.000 0.210 596 L C 2.505 179.464 176.870 0.148 0.000 1.076 596 L CA 1.826 56.829 54.840 0.272 0.000 0.749 596 L CB -1.091 41.110 42.059 0.237 0.000 0.893 596 L HN 0.217 nan 8.230 nan 0.000 0.432 597 T N -0.395 114.123 114.554 -0.059 0.000 2.746 597 T HA -0.141 4.209 4.350 0.001 0.000 0.267 597 T C 1.915 176.541 174.700 -0.123 0.000 1.039 597 T CA 1.257 63.222 62.100 -0.224 0.000 1.142 597 T CB -0.549 67.769 68.868 -0.916 0.000 0.866 597 T HN 0.527 nan 8.240 nan 0.000 0.444 598 A N 1.607 124.361 122.820 -0.109 0.000 1.908 598 A HA -0.090 4.230 4.320 0.001 0.000 0.218 598 A C 2.326 179.884 177.584 -0.043 0.000 1.181 598 A CA 1.898 53.907 52.037 -0.047 0.000 0.627 598 A CB -0.769 18.224 19.000 -0.012 0.000 0.818 598 A HN 0.523 nan 8.150 nan 0.000 0.445 599 M N -0.219 119.363 119.600 -0.030 0.000 2.086 599 M HA -0.161 4.319 4.480 0.001 0.000 0.261 599 M C 2.182 178.396 176.300 -0.142 0.000 1.067 599 M CA 2.187 57.440 55.300 -0.078 0.000 1.116 599 M CB -0.194 32.365 32.600 -0.068 0.000 1.348 599 M HN 0.388 nan 8.290 nan 0.000 0.407 600 S N 1.214 116.833 115.700 -0.135 0.000 2.359 600 S HA -0.166 4.305 4.470 0.001 0.000 0.224 600 S C 1.757 176.169 174.600 -0.312 0.000 1.035 600 S CA 1.620 59.673 58.200 -0.244 0.000 1.018 600 S CB -0.649 62.371 63.200 -0.300 0.000 0.876 600 S HN 0.528 nan 8.310 nan 0.000 0.448 601 L N 1.049 122.126 121.223 -0.243 0.000 2.079 601 L HA -0.166 4.174 4.340 0.001 0.000 0.210 601 L C 2.766 179.507 176.870 -0.214 0.000 1.081 601 L CA 1.221 55.922 54.840 -0.231 0.000 0.752 601 L CB -0.710 41.285 42.059 -0.106 0.000 0.896 601 L HN 0.338 nan 8.230 nan 0.000 0.433 602 A N 0.242 122.927 122.820 -0.226 0.000 1.930 602 A HA -0.134 4.186 4.320 0.001 0.000 0.217 602 A C 2.214 179.482 177.584 -0.526 0.000 1.175 602 A CA 1.252 53.039 52.037 -0.417 0.000 0.627 602 A CB -0.558 18.186 19.000 -0.426 0.000 0.815 602 A HN 0.335 nan 8.150 nan 0.000 0.443 603 I N -0.390 119.963 120.570 -0.362 0.000 2.163 603 I HA -0.302 3.868 4.170 0.001 0.000 0.243 603 I C 2.544 178.500 176.117 -0.269 0.000 1.085 603 I CA 2.001 63.120 61.300 -0.301 0.000 1.347 603 I CB -0.264 37.574 38.000 -0.271 0.000 1.044 603 I HN 0.377 nan 8.210 nan 0.000 0.408 604 K N 0.591 120.831 120.400 -0.267 0.000 2.032 604 K HA -0.229 4.092 4.320 0.001 0.000 0.209 604 K C 2.376 178.895 176.600 -0.136 0.000 1.048 604 K CA 1.872 58.033 56.287 -0.210 0.000 0.927 604 K CB -0.173 32.169 32.500 -0.264 0.000 0.712 604 K HN 0.125 nan 8.250 nan 0.000 0.441 605 S N 0.118 115.725 115.700 -0.154 0.000 2.359 605 S HA -0.225 4.246 4.470 0.001 0.000 0.223 605 S C 2.101 176.616 174.600 -0.141 0.000 1.039 605 S CA 1.685 59.837 58.200 -0.080 0.000 1.042 605 S CB -0.637 62.550 63.200 -0.021 0.000 0.915 605 S HN 0.591 nan 8.310 nan 0.000 0.439 606 C N 1.329 120.459 119.300 -0.284 0.000 2.413 606 C HA -0.055 4.405 4.460 0.001 0.000 0.277 606 C C 2.533 177.441 174.990 -0.137 0.000 1.265 606 C CA 0.988 59.848 59.018 -0.262 0.000 1.752 606 C CB -1.589 25.956 27.740 -0.325 0.000 1.998 606 C HN 0.691 nan 8.230 nan 0.000 0.489 607 E N -0.762 119.382 120.200 -0.094 0.000 2.058 607 E HA -0.264 4.086 4.350 0.001 0.000 0.194 607 E C 1.865 178.478 176.600 0.021 0.000 0.997 607 E CA 1.628 58.006 56.400 -0.036 0.000 0.801 607 E CB -0.350 29.325 29.700 -0.042 0.000 0.746 607 E HN 0.827 nan 8.360 nan 0.000 0.450 608 Y N 1.241 121.513 120.300 -0.047 0.000 2.128 608 Y HA -0.249 4.301 4.550 0.001 0.000 0.284 608 Y C 1.982 177.916 175.900 0.057 0.000 1.154 608 Y CA 1.595 59.712 58.100 0.028 0.000 1.149 608 Y CB -0.082 38.434 38.460 0.094 0.000 0.976 608 Y HN -0.031 nan 8.280 nan 0.000 0.505 609 I N 0.253 120.850 120.570 0.046 0.000 2.179 609 I HA -0.336 3.835 4.170 0.001 0.000 0.242 609 I C 2.234 178.383 176.117 0.055 0.000 1.088 609 I CA 1.699 62.990 61.300 -0.015 0.000 1.357 609 I CB -0.434 37.339 38.000 -0.379 0.000 1.051 609 I HN 0.164 nan 8.210 nan 0.000 0.409 610 K N 0.409 120.813 120.400 0.005 0.000 2.280 610 K HA -0.202 4.118 4.320 0.001 0.000 0.202 610 K C 1.924 178.565 176.600 0.068 0.000 1.047 610 K CA 1.166 57.526 56.287 0.122 0.000 0.942 610 K CB -0.109 32.443 32.500 0.087 0.000 0.739 610 K HN 0.456 nan 8.250 nan 0.000 0.457 611 Q N -0.385 119.386 119.800 -0.047 0.000 2.408 611 Q HA 0.082 4.423 4.340 0.001 0.000 0.205 611 Q C 0.939 176.829 176.000 -0.185 0.000 0.919 611 Q CA 0.442 56.180 55.803 -0.109 0.000 0.932 611 Q CB 0.513 29.164 28.738 -0.146 0.000 1.058 611 Q HN 0.256 nan 8.270 nan 0.000 0.517 612 N N -1.003 117.566 118.700 -0.218 0.000 2.145 612 N HA 0.157 4.897 4.740 0.001 0.000 0.219 612 N C -1.006 174.131 175.510 -0.621 0.000 1.266 612 N CA 0.244 53.031 53.050 -0.439 0.000 0.902 612 N CB 1.096 39.170 38.487 -0.689 0.000 1.078 612 N HN 0.005 nan 8.380 nan 0.000 0.513 613 F N 0.566 120.536 119.950 0.034 0.000 2.561 613 F HA 0.324 4.851 4.527 0.001 0.000 0.313 613 F C 0.026 175.951 175.800 0.210 0.000 1.126 613 F CA -0.683 57.399 58.000 0.137 0.000 0.918 613 F CB 1.864 40.959 39.000 0.159 0.000 1.199 613 F HN -0.370 nan 8.300 nan 0.000 0.444 614 T N 4.160 118.866 114.554 0.254 0.000 2.767 614 T HA 0.387 4.737 4.350 0.001 0.000 0.288 614 T C -2.528 172.166 174.700 -0.009 0.000 0.963 614 T CA -1.408 60.738 62.100 0.076 0.000 1.019 614 T CB 0.934 69.817 68.868 0.024 0.000 0.923 614 T HN 0.130 nan 8.240 nan 0.000 0.468 615 P HA 0.133 nan 4.420 nan 0.000 0.266 615 P C 0.021 177.229 177.300 -0.153 0.000 1.195 615 P CA -0.432 62.391 63.100 -0.461 0.000 0.768 615 P CB 0.278 31.561 31.700 -0.695 0.000 0.838 616 S N 3.115 118.771 115.700 -0.073 0.000 2.579 616 S HA 0.314 4.784 4.470 0.001 0.000 0.275 616 S C -2.235 172.349 174.600 -0.027 0.000 1.345 616 S CA -1.018 57.164 58.200 -0.030 0.000 1.031 616 S CB -0.777 62.414 63.200 -0.016 0.000 0.892 616 S HN 0.263 nan 8.310 nan 0.000 0.529 617 P HA 0.171 nan 4.420 nan 0.000 0.271 617 P C -0.629 176.741 177.300 0.116 0.000 1.216 617 P CA -0.453 62.675 63.100 0.047 0.000 0.771 617 P CB 0.075 31.798 31.700 0.038 0.000 0.864 618 F N 3.450 123.384 119.950 -0.027 0.000 2.487 618 F HA 0.157 4.684 4.527 0.001 0.000 0.364 618 F C 0.799 176.591 175.800 -0.013 0.000 1.126 618 F CA 0.105 58.095 58.000 -0.016 0.000 1.135 618 F CB -0.478 38.515 39.000 -0.013 0.000 1.127 618 F HN 0.161 nan 8.300 nan 0.000 0.559 619 T N 0.000 114.820 114.554 0.443 0.000 3.816 619 T HA 0.000 4.350 4.350 0.001 0.000 0.228 619 T CA 0.000 62.253 62.100 0.255 0.000 1.349 619 T CB 0.000 68.930 68.868 0.104 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658