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 3k4c_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWGCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF 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 0.000 176.267 176.300 -0.054 0.000 1.140 43 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 43 M CB 0.000 32.346 32.600 -0.424 0.000 1.302 44 D N 3.274 123.676 120.400 0.003 0.000 2.340 44 D HA 0.460 5.100 4.640 -0.000 0.000 0.251 44 D C 1.209 177.387 176.300 -0.203 0.000 1.080 44 D CA -0.343 53.529 54.000 -0.213 0.000 0.971 44 D CB 1.135 41.633 40.800 -0.505 0.000 1.137 44 D HN 0.661 nan 8.370 nan 0.000 0.475 45 I N -1.856 118.596 120.570 -0.198 0.000 2.439 45 I HA -0.010 4.159 4.170 -0.000 0.000 0.251 45 I C 0.806 176.861 176.117 -0.103 0.000 1.139 45 I CA 0.819 62.051 61.300 -0.114 0.000 1.438 45 I CB -0.172 37.780 38.000 -0.079 0.000 1.085 45 I HN -0.030 nan 8.210 nan 0.000 0.427 46 K N 0.631 120.852 120.400 -0.298 0.000 2.507 46 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 46 K C -1.761 174.560 176.600 -0.466 0.000 0.943 46 K CA -0.584 55.567 56.287 -0.226 0.000 0.794 46 K CB 1.245 33.669 32.500 -0.127 0.000 1.188 46 K HN 0.038 nan 8.250 nan 0.000 0.428 47 Y N 1.074 121.365 120.300 -0.014 0.000 2.633 47 Y HA 0.284 4.834 4.550 -0.000 0.000 0.339 47 Y C 0.852 176.733 175.900 -0.031 0.000 1.045 47 Y CA -0.703 57.385 58.100 -0.021 0.000 1.098 47 Y CB 1.767 40.213 38.460 -0.024 0.000 1.296 47 Y HN 0.598 nan 8.280 nan 0.000 0.494 48 D N 0.063 120.561 120.400 0.163 0.000 2.103 48 D HA 0.015 4.655 4.640 -0.000 0.000 0.199 48 D C -0.342 175.951 176.300 -0.011 0.000 0.978 48 D CA 1.482 55.557 54.000 0.126 0.000 0.829 48 D CB 0.242 41.207 40.800 0.276 0.000 0.981 48 D HN 0.103 nan 8.370 nan 0.000 0.464 49 V N 1.107 121.000 119.914 -0.036 0.000 2.638 49 V HA 0.365 4.485 4.120 -0.000 0.000 0.306 49 V C -0.332 175.661 176.094 -0.169 0.000 1.052 49 V CA -1.016 61.172 62.300 -0.186 0.000 0.885 49 V CB 2.482 34.171 31.823 -0.223 0.000 0.999 49 V HN -0.010 nan 8.190 nan 0.000 0.424 50 V N 2.966 122.738 119.914 -0.237 0.000 2.555 50 V HA 0.753 4.872 4.120 -0.000 0.000 0.302 50 V C -0.652 175.382 176.094 -0.101 0.000 1.038 50 V CA -0.626 61.590 62.300 -0.140 0.000 0.887 50 V CB 1.765 33.583 31.823 -0.010 0.000 0.991 50 V HN 0.688 nan 8.190 nan 0.000 0.434 51 I N 4.188 124.719 120.570 -0.066 0.000 2.436 51 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 51 I C -0.549 175.588 176.117 0.033 0.000 1.010 51 I CA -0.942 60.315 61.300 -0.071 0.000 1.098 51 I CB 2.222 40.162 38.000 -0.099 0.000 1.266 51 I HN 0.433 nan 8.210 nan 0.000 0.434 52 V N 5.730 125.658 119.914 0.023 0.000 2.353 52 V HA 0.736 4.856 4.120 -0.000 0.000 0.264 52 V C 0.559 176.666 176.094 0.021 0.000 1.049 52 V CA -0.180 62.156 62.300 0.060 0.000 0.896 52 V CB 0.334 32.174 31.823 0.028 0.000 1.025 52 V HN 1.073 nan 8.190 nan 0.000 0.475 53 G N 4.102 112.929 108.800 0.045 0.000 2.911 53 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 53 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 53 G C -0.046 174.874 174.900 0.032 0.000 1.136 53 G CA -0.252 44.867 45.100 0.032 0.000 0.764 53 G HN 1.318 nan 8.290 nan 0.000 0.626 54 S N 0.896 116.618 115.700 0.037 0.000 2.651 54 S HA 0.613 5.083 4.470 -0.000 0.000 0.246 54 S C 1.289 175.907 174.600 0.030 0.000 1.039 54 S CA 0.739 58.968 58.200 0.048 0.000 1.013 54 S CB 0.617 63.855 63.200 0.064 0.000 0.861 54 S HN 1.974 nan 8.310 nan 0.000 0.485 55 G N 2.762 111.571 108.800 0.015 0.000 2.583 55 G HA2 0.374 4.334 3.960 -0.000 0.000 0.275 55 G HA3 0.374 4.334 3.960 -0.000 0.000 0.275 55 G C -1.172 173.713 174.900 -0.025 0.000 1.342 55 G CA -1.162 43.932 45.100 -0.011 0.000 1.030 55 G HN 0.261 nan 8.290 nan 0.000 0.520 56 P HA -0.023 nan 4.420 nan 0.000 0.223 56 P C 1.687 178.933 177.300 -0.090 0.000 1.151 56 P CA 0.554 63.605 63.100 -0.082 0.000 0.787 56 P CB 0.206 31.866 31.700 -0.067 0.000 0.788 57 I N 0.281 120.834 120.570 -0.028 0.000 2.277 57 I HA -0.038 4.131 4.170 -0.000 0.000 0.243 57 I C 2.686 178.865 176.117 0.103 0.000 1.094 57 I CA 1.594 62.911 61.300 0.028 0.000 1.393 57 I CB -2.296 35.748 38.000 0.073 0.000 1.078 57 I HN -0.002 nan 8.210 nan 0.000 0.417 58 G N 0.204 109.046 108.800 0.069 0.000 2.422 58 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 58 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 58 G C 1.747 176.648 174.900 0.002 0.000 1.146 58 G CA 0.895 46.030 45.100 0.060 0.000 0.769 58 G HN 0.406 nan 8.290 nan 0.000 0.547 59 C N 0.673 119.948 119.300 -0.041 0.000 2.432 59 C HA 0.042 4.502 4.460 -0.000 0.000 0.282 59 C C 3.162 178.023 174.990 -0.215 0.000 1.388 59 C CA 1.329 60.280 59.018 -0.112 0.000 1.777 59 C CB -0.916 26.811 27.740 -0.022 0.000 1.882 59 C HN 0.447 nan 8.230 nan 0.000 0.520 60 T N 0.044 114.499 114.554 -0.164 0.000 2.737 60 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 60 T C 1.469 176.012 174.700 -0.262 0.000 1.038 60 T CA 1.592 63.564 62.100 -0.213 0.000 1.144 60 T CB -0.434 68.328 68.868 -0.177 0.000 0.866 60 T HN 0.545 nan 8.240 nan 0.000 0.434 61 Y N 1.558 121.725 120.300 -0.222 0.000 2.165 61 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 61 Y C 2.760 178.451 175.900 -0.347 0.000 1.155 61 Y CA 1.019 58.969 58.100 -0.250 0.000 1.164 61 Y CB -0.672 37.660 38.460 -0.213 0.000 0.978 61 Y HN 0.206 nan 8.280 nan 0.000 0.513 62 A N 0.033 122.662 122.820 -0.319 0.000 1.873 62 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 62 A C 2.271 179.299 177.584 -0.926 0.000 1.186 62 A CA 1.749 53.355 52.037 -0.720 0.000 0.616 62 A CB -0.738 17.583 19.000 -1.133 0.000 0.823 62 A HN 0.429 nan 8.150 nan 0.000 0.442 63 R N -0.319 119.689 120.500 -0.820 0.000 2.083 63 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 63 R C 2.075 178.172 176.300 -0.337 0.000 1.137 63 R CA 1.799 57.561 56.100 -0.564 0.000 0.951 63 R CB -0.265 29.728 30.300 -0.512 0.000 0.851 63 R HN 0.566 nan 8.270 nan 0.000 0.434 64 E N 0.417 120.454 120.200 -0.273 0.000 2.051 64 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 64 E C 2.116 178.660 176.600 -0.093 0.000 0.991 64 E CA 1.372 57.687 56.400 -0.142 0.000 0.799 64 E CB -0.096 29.515 29.700 -0.149 0.000 0.748 64 E HN 0.438 nan 8.360 nan 0.000 0.449 65 L N 0.313 121.453 121.223 -0.138 0.000 2.249 65 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 65 L C 2.492 179.423 176.870 0.101 0.000 1.090 65 L CA 0.181 55.002 54.840 -0.032 0.000 0.802 65 L CB -0.152 41.766 42.059 -0.235 0.000 0.947 65 L HN -0.060 nan 8.230 nan 0.000 0.453 66 V N 0.478 120.355 119.914 -0.061 0.000 2.427 66 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 66 V C 2.594 178.724 176.094 0.060 0.000 1.051 66 V CA 1.996 64.308 62.300 0.020 0.000 1.048 66 V CB -1.125 30.646 31.823 -0.087 0.000 0.666 66 V HN 0.552 nan 8.190 nan 0.000 0.456 67 G N -0.495 108.313 108.800 0.012 0.000 2.443 67 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.219 67 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.219 67 G C 1.385 176.310 174.900 0.041 0.000 1.131 67 G CA 0.769 45.885 45.100 0.026 0.000 0.775 67 G HN 0.625 nan 8.290 nan 0.000 0.547 68 A N -0.391 122.479 122.820 0.083 0.000 2.337 68 A HA 0.512 4.832 4.320 -0.000 0.000 0.227 68 A C 1.780 179.361 177.584 -0.005 0.000 1.259 68 A CA 1.063 53.145 52.037 0.074 0.000 0.870 68 A CB -0.408 18.691 19.000 0.166 0.000 0.927 68 A HN 1.502 nan 8.150 nan 0.000 0.497 69 G N -1.891 106.932 108.800 0.038 0.000 2.132 69 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.234 69 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.234 69 G C -0.089 174.788 174.900 -0.038 0.000 0.989 69 G CA 0.106 45.202 45.100 -0.007 0.000 0.676 69 G HN 0.413 nan 8.290 nan 0.000 0.522 70 Y N 0.251 120.582 120.300 0.051 0.000 2.336 70 Y HA 0.439 4.989 4.550 -0.000 0.000 0.331 70 Y C 1.110 177.057 175.900 0.078 0.000 1.211 70 Y CA 0.008 58.139 58.100 0.052 0.000 1.346 70 Y CB 0.781 39.252 38.460 0.017 0.000 1.271 70 Y HN 0.082 nan 8.280 nan 0.000 0.538 71 K N 2.693 123.236 120.400 0.238 0.000 2.310 71 K HA 0.394 4.714 4.320 -0.000 0.000 0.290 71 K C -1.539 175.199 176.600 0.230 0.000 1.077 71 K CA -0.128 56.281 56.287 0.203 0.000 0.922 71 K CB 0.039 32.621 32.500 0.138 0.000 1.057 71 K HN 0.475 nan 8.250 nan 0.000 0.479 72 V N 3.236 123.265 119.914 0.192 0.000 2.555 72 V HA 0.610 4.730 4.120 -0.000 0.000 0.302 72 V C -0.353 175.654 176.094 -0.146 0.000 1.038 72 V CA -0.927 61.422 62.300 0.081 0.000 0.887 72 V CB 1.504 33.419 31.823 0.153 0.000 0.991 72 V HN 0.893 nan 8.190 nan 0.000 0.434 73 A N 5.567 128.125 122.820 -0.437 0.000 2.350 73 A HA 0.965 5.285 4.320 -0.000 0.000 0.324 73 A C -0.695 176.503 177.584 -0.644 0.000 1.118 73 A CA -0.642 50.889 52.037 -0.844 0.000 0.783 73 A CB 1.682 19.819 19.000 -1.439 0.000 1.236 73 A HN 0.929 nan 8.150 nan 0.000 0.457 74 M N 2.069 121.200 119.600 -0.782 0.000 2.393 74 M HA 0.744 5.224 4.480 -0.000 0.000 0.299 74 M C -2.253 173.674 176.300 -0.621 0.000 1.103 74 M CA -0.411 54.617 55.300 -0.453 0.000 0.910 74 M CB 1.328 33.869 32.600 -0.097 0.000 1.659 74 M HN 0.583 nan 8.290 nan 0.000 0.445 75 F N 2.422 122.364 119.950 -0.014 0.000 2.507 75 F HA 0.563 5.090 4.527 -0.000 0.000 0.325 75 F C -0.214 175.588 175.800 0.005 0.000 1.116 75 F CA -0.514 57.503 58.000 0.027 0.000 0.930 75 F CB 1.515 40.520 39.000 0.007 0.000 1.146 75 F HN 0.468 nan 8.300 nan 0.000 0.447 76 D N 2.855 123.356 120.400 0.167 0.000 2.738 76 D HA 0.264 4.904 4.640 -0.000 0.000 0.237 76 D C 0.432 176.762 176.300 0.050 0.000 1.123 76 D CA -0.346 53.702 54.000 0.080 0.000 0.856 76 D CB 2.594 43.422 40.800 0.046 0.000 1.552 76 D HN 0.647 nan 8.370 nan 0.000 0.480 77 I N 1.669 122.221 120.570 -0.030 0.000 2.761 77 I HA 0.091 4.261 4.170 -0.000 0.000 0.261 77 I C 1.114 177.190 176.117 -0.068 0.000 1.198 77 I CA 0.587 61.825 61.300 -0.104 0.000 1.482 77 I CB 0.181 38.003 38.000 -0.297 0.000 1.100 77 I HN 0.324 nan 8.210 nan 0.000 0.445 78 G N 0.033 108.813 108.800 -0.034 0.000 2.537 78 G HA2 0.391 4.351 3.960 -0.000 0.000 0.297 78 G HA3 0.391 4.351 3.960 -0.000 0.000 0.297 78 G C -0.813 174.105 174.900 0.030 0.000 1.310 78 G CA -0.413 44.691 45.100 0.006 0.000 1.027 78 G HN 0.293 nan 8.290 nan 0.000 0.505 79 E N -1.477 118.745 120.200 0.038 0.000 2.299 79 E HA 0.390 4.740 4.350 -0.000 0.000 0.260 79 E C -0.509 176.114 176.600 0.038 0.000 0.944 79 E CA -0.789 55.636 56.400 0.041 0.000 0.815 79 E CB 2.452 32.178 29.700 0.045 0.000 1.252 79 E HN 0.256 nan 8.360 nan 0.000 0.418 80 I N 2.449 123.041 120.570 0.037 0.000 2.533 80 I HA 0.006 4.176 4.170 -0.000 0.000 0.284 80 I C -0.143 176.000 176.117 0.043 0.000 1.109 80 I CA 0.651 61.974 61.300 0.037 0.000 1.412 80 I CB 0.210 38.228 38.000 0.031 0.000 1.396 80 I HN 0.534 nan 8.210 nan 0.000 0.543 81 D N 3.059 123.489 120.400 0.050 0.000 3.279 81 D HA 0.029 4.669 4.640 -0.000 0.000 0.336 81 D C -0.233 176.113 176.300 0.076 0.000 1.512 81 D CA -0.319 53.716 54.000 0.058 0.000 0.754 81 D CB -0.089 40.743 40.800 0.053 0.000 1.278 81 D HN 0.258 nan 8.370 nan 0.000 0.553 82 S N -0.144 115.605 115.700 0.081 0.000 2.664 82 S HA 0.637 5.107 4.470 -0.000 0.000 0.245 82 S C 0.953 175.616 174.600 0.106 0.000 1.019 82 S CA -0.011 58.255 58.200 0.109 0.000 0.996 82 S CB 0.918 64.186 63.200 0.113 0.000 0.878 82 S HN 0.895 nan 8.310 nan 0.000 0.493 83 G N 1.599 110.449 108.800 0.083 0.000 2.545 83 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 83 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 83 G C 0.248 175.179 174.900 0.051 0.000 1.314 83 G CA -0.350 44.792 45.100 0.070 0.000 0.906 83 G HN 0.275 nan 8.290 nan 0.000 0.563 84 L N 0.425 121.674 121.223 0.042 0.000 2.291 84 L HA 0.129 4.469 4.340 -0.000 0.000 0.214 84 L C 1.447 178.329 176.870 0.021 0.000 1.120 84 L CA 0.940 55.795 54.840 0.025 0.000 0.799 84 L CB -0.320 41.748 42.059 0.016 0.000 0.925 84 L HN 0.285 nan 8.230 nan 0.000 0.446 85 K N 1.768 122.190 120.400 0.036 0.000 2.263 85 K HA 0.349 4.669 4.320 -0.000 0.000 0.282 85 K C -0.327 176.294 176.600 0.036 0.000 1.089 85 K CA -0.256 56.048 56.287 0.029 0.000 0.907 85 K CB 1.128 33.659 32.500 0.051 0.000 1.148 85 K HN 0.087 nan 8.250 nan 0.000 0.470 86 I N 1.679 122.257 120.570 0.012 0.000 2.556 86 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 86 I C 1.314 177.450 176.117 0.032 0.000 1.114 86 I CA 0.745 62.058 61.300 0.021 0.000 1.418 86 I CB 0.506 38.510 38.000 0.006 0.000 1.394 86 I HN 0.955 nan 8.210 nan 0.000 0.552 87 G N 4.276 113.105 108.800 0.048 0.000 2.143 87 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.248 87 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.248 87 G C 0.254 175.202 174.900 0.079 0.000 0.991 87 G CA 0.044 45.176 45.100 0.054 0.000 0.689 87 G HN 0.960 nan 8.290 nan 0.000 0.522 88 A N -0.435 122.447 122.820 0.102 0.000 2.257 88 A HA 0.652 4.972 4.320 -0.000 0.000 0.289 88 A C 0.513 178.212 177.584 0.193 0.000 1.095 88 A CA -0.375 51.759 52.037 0.162 0.000 0.836 88 A CB 0.345 19.443 19.000 0.163 0.000 1.111 88 A HN 0.608 nan 8.150 nan 0.000 0.497 89 H N 0.499 119.699 119.070 0.216 0.000 2.899 89 H HA 0.108 4.664 4.556 -0.000 0.000 0.303 89 H C 0.682 176.133 175.328 0.205 0.000 1.042 89 H CA 0.686 56.873 56.048 0.232 0.000 1.479 89 H CB 0.802 30.718 29.762 0.258 0.000 1.493 89 H HN 0.667 nan 8.280 nan 0.000 0.534 90 K N 3.485 124.081 120.400 0.326 0.000 2.442 90 K HA -0.113 4.207 4.320 -0.000 0.000 0.198 90 K C 1.696 178.564 176.600 0.446 0.000 1.042 90 K CA 0.681 57.218 56.287 0.416 0.000 0.958 90 K CB 0.357 33.091 32.500 0.391 0.000 0.766 90 K HN 0.409 nan 8.250 nan 0.000 0.474 91 K N 0.991 121.513 120.400 0.204 0.000 2.486 91 K HA -0.005 4.315 4.320 -0.000 0.000 0.194 91 K C 0.304 176.929 176.600 0.042 0.000 1.033 91 K CA 0.479 56.549 56.287 -0.362 0.000 1.004 91 K CB 0.254 32.120 32.500 -1.056 0.000 0.798 91 K HN -0.032 nan 8.250 nan 0.000 0.495 92 N N 1.952 120.789 118.700 0.228 0.000 2.652 92 N HA -0.016 4.724 4.740 -0.000 0.000 0.259 92 N C -0.831 174.979 175.510 0.501 0.000 1.240 92 N CA 0.334 53.582 53.050 0.330 0.000 0.951 92 N CB 0.559 39.273 38.487 0.379 0.000 1.281 92 N HN 0.304 nan 8.380 nan 0.000 0.507 93 T N -4.647 110.168 114.554 0.435 0.000 2.912 93 T HA 0.353 4.703 4.350 -0.000 0.000 0.288 93 T C 1.433 176.389 174.700 0.425 0.000 1.030 93 T CA -0.784 61.536 62.100 0.367 0.000 1.020 93 T CB 1.575 70.572 68.868 0.214 0.000 1.056 93 T HN -0.186 nan 8.240 nan 0.000 0.480 94 V N 1.209 121.292 119.914 0.281 0.000 2.332 94 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 94 V C 2.796 178.970 176.094 0.135 0.000 1.055 94 V CA 2.437 64.875 62.300 0.229 0.000 1.038 94 V CB -0.946 30.916 31.823 0.065 0.000 0.651 94 V HN 1.055 nan 8.190 nan 0.000 0.450 95 E N -0.480 119.736 120.200 0.027 0.000 2.072 95 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 95 E C 2.031 178.581 176.600 -0.084 0.000 0.985 95 E CA 1.558 57.910 56.400 -0.079 0.000 0.801 95 E CB -0.323 29.267 29.700 -0.184 0.000 0.750 95 E HN 0.653 nan 8.360 nan 0.000 0.452 96 Y N 0.841 121.211 120.300 0.116 0.000 2.242 96 Y HA -0.044 4.505 4.550 -0.000 0.000 0.291 96 Y C 2.149 178.071 175.900 0.036 0.000 1.137 96 Y CA 1.322 59.476 58.100 0.091 0.000 1.181 96 Y CB -0.250 38.267 38.460 0.096 0.000 0.989 96 Y HN 0.174 nan 8.280 nan 0.000 0.527 97 Q N -0.281 119.620 119.800 0.169 0.000 2.435 97 Q HA -0.100 4.240 4.340 -0.000 0.000 0.207 97 Q C 1.523 177.578 176.000 0.090 0.000 0.956 97 Q CA 0.755 56.611 55.803 0.088 0.000 0.917 97 Q CB 0.015 28.755 28.738 0.002 0.000 0.997 97 Q HN 0.451 nan 8.270 nan 0.000 0.497 98 K N 0.029 120.485 120.400 0.094 0.000 2.379 98 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 98 K C 0.279 176.916 176.600 0.063 0.000 1.031 98 K CA 0.240 56.566 56.287 0.066 0.000 1.037 98 K CB 0.596 33.125 32.500 0.047 0.000 0.824 98 K HN 0.066 nan 8.250 nan 0.000 0.516 99 N N 1.264 120.022 118.700 0.096 0.000 2.672 99 N HA 0.050 4.790 4.740 -0.000 0.000 0.295 99 N C 0.163 175.775 175.510 0.170 0.000 1.924 99 N CA 0.048 53.165 53.050 0.113 0.000 0.851 99 N CB 0.987 39.537 38.487 0.105 0.000 1.281 99 N HN 0.027 nan 8.380 nan 0.000 0.494 100 I N 0.773 121.413 120.570 0.117 0.000 2.454 100 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 100 I C 0.991 177.167 176.117 0.099 0.000 1.156 100 I CA 1.486 62.844 61.300 0.098 0.000 1.433 100 I CB 0.120 38.129 38.000 0.015 0.000 1.082 100 I HN 0.159 nan 8.210 nan 0.000 0.432 101 D N 0.958 121.407 120.400 0.082 0.000 2.218 101 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 101 D C 1.906 178.257 176.300 0.085 0.000 0.976 101 D CA 0.692 54.731 54.000 0.064 0.000 0.853 101 D CB 0.012 40.842 40.800 0.050 0.000 0.939 101 D HN 0.313 nan 8.370 nan 0.000 0.481 102 K N 0.185 120.677 120.400 0.154 0.000 2.283 102 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 102 K C 1.785 178.462 176.600 0.129 0.000 1.048 102 K CA 0.033 56.430 56.287 0.184 0.000 0.948 102 K CB -0.444 32.240 32.500 0.307 0.000 0.742 102 K HN 0.219 nan 8.250 nan 0.000 0.458 103 F N 1.237 121.130 119.950 -0.095 0.000 2.365 103 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 103 F C 2.065 177.718 175.800 -0.246 0.000 1.090 103 F CA 0.422 58.212 58.000 -0.350 0.000 1.408 103 F CB -0.104 38.650 39.000 -0.410 0.000 1.060 103 F HN -0.212 nan 8.300 nan 0.000 0.534 104 V N 0.692 120.531 119.914 -0.125 0.000 2.392 104 V HA -0.358 3.762 4.120 -0.000 0.000 0.249 104 V C 1.723 177.687 176.094 -0.216 0.000 1.059 104 V CA 2.827 65.023 62.300 -0.173 0.000 1.051 104 V CB -0.640 31.125 31.823 -0.096 0.000 0.658 104 V HN 0.483 nan 8.190 nan 0.000 0.455 105 N N -0.261 118.333 118.700 -0.176 0.000 2.188 105 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 105 N C 1.721 177.093 175.510 -0.229 0.000 1.018 105 N CA 1.554 54.517 53.050 -0.146 0.000 0.858 105 N CB -0.335 38.119 38.487 -0.056 0.000 0.989 105 N HN 0.433 nan 8.380 nan 0.000 0.426 106 V N 1.658 121.319 119.914 -0.422 0.000 2.252 106 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 106 V C 2.104 177.913 176.094 -0.475 0.000 1.056 106 V CA 1.579 63.558 62.300 -0.535 0.000 1.022 106 V CB -0.610 30.591 31.823 -1.036 0.000 0.641 106 V HN 0.313 nan 8.190 nan 0.000 0.445 107 I N -0.287 119.936 120.570 -0.580 0.000 2.163 107 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 107 I C 2.724 178.739 176.117 -0.170 0.000 1.085 107 I CA 1.898 62.999 61.300 -0.332 0.000 1.347 107 I CB -0.514 37.322 38.000 -0.275 0.000 1.044 107 I HN 0.379 nan 8.210 nan 0.000 0.408 108 Q N 0.497 120.208 119.800 -0.150 0.000 2.124 108 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 108 Q C 2.367 178.334 176.000 -0.056 0.000 0.977 108 Q CA 1.502 57.262 55.803 -0.072 0.000 0.850 108 Q CB -0.471 28.234 28.738 -0.054 0.000 0.901 108 Q HN 0.660 nan 8.270 nan 0.000 0.429 109 G N 1.448 110.199 108.800 -0.082 0.000 2.462 109 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 109 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 109 G C 1.233 176.113 174.900 -0.034 0.000 1.121 109 G CA 1.085 46.153 45.100 -0.053 0.000 0.758 109 G HN 0.517 nan 8.290 nan 0.000 0.559 110 Q N -0.887 118.885 119.800 -0.048 0.000 2.217 110 Q HA 0.367 4.707 4.340 -0.000 0.000 0.217 110 Q C 0.344 176.350 176.000 0.011 0.000 0.844 110 Q CA -0.276 55.517 55.803 -0.016 0.000 0.957 110 Q CB 0.124 28.844 28.738 -0.029 0.000 1.127 110 Q HN 0.284 nan 8.270 nan 0.000 0.503 111 L N 2.481 123.709 121.223 0.008 0.000 2.260 111 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 111 L C -0.538 176.360 176.870 0.047 0.000 1.057 111 L CA -0.555 54.307 54.840 0.036 0.000 0.811 111 L CB 1.200 43.280 42.059 0.035 0.000 1.184 111 L HN 0.211 nan 8.230 nan 0.000 0.429 112 M N 2.409 122.051 119.600 0.070 0.000 2.149 112 M HA 0.285 4.765 4.480 -0.000 0.000 0.342 112 M C 0.032 176.381 176.300 0.081 0.000 1.068 112 M CA -0.510 54.838 55.300 0.079 0.000 0.991 112 M CB 1.258 33.923 32.600 0.108 0.000 1.596 112 M HN 0.366 nan 8.290 nan 0.000 0.439 113 S N 1.969 117.707 115.700 0.064 0.000 2.552 113 S HA 0.165 4.634 4.470 -0.000 0.000 0.289 113 S C 1.642 176.286 174.600 0.074 0.000 1.304 113 S CA -0.565 57.671 58.200 0.060 0.000 1.063 113 S CB 0.904 64.128 63.200 0.041 0.000 0.848 113 S HN 0.535 nan 8.310 nan 0.000 0.499 114 V N 2.322 122.290 119.914 0.090 0.000 2.283 114 V HA 0.016 4.136 4.120 -0.000 0.000 0.243 114 V C 1.198 177.310 176.094 0.030 0.000 1.039 114 V CA 1.414 63.765 62.300 0.083 0.000 1.016 114 V CB 0.066 31.982 31.823 0.155 0.000 0.650 114 V HN 0.801 nan 8.190 nan 0.000 0.449 115 S N -0.487 115.248 115.700 0.058 0.000 2.776 115 S HA 0.516 4.986 4.470 -0.000 0.000 0.284 115 S C -1.136 173.470 174.600 0.010 0.000 1.160 115 S CA -0.470 57.724 58.200 -0.010 0.000 1.051 115 S CB 1.474 64.631 63.200 -0.072 0.000 1.037 115 S HN 0.007 nan 8.310 nan 0.000 0.485 116 V N 7.868 127.776 119.914 -0.010 0.000 2.347 116 V HA 0.527 4.647 4.120 -0.000 0.000 0.280 116 V C -1.970 174.108 176.094 -0.026 0.000 1.021 116 V CA -1.799 60.494 62.300 -0.012 0.000 0.847 116 V CB 1.329 33.146 31.823 -0.009 0.000 0.990 116 V HN 0.702 nan 8.190 nan 0.000 0.444 117 P HA 0.155 nan 4.420 nan 0.000 0.272 117 P C -0.160 177.116 177.300 -0.041 0.000 1.240 117 P CA -0.148 62.932 63.100 -0.033 0.000 0.791 117 P CB 0.766 32.447 31.700 -0.031 0.000 0.978 118 V N 2.184 122.075 119.914 -0.037 0.000 2.599 118 V HA -0.032 4.088 4.120 -0.000 0.000 0.300 118 V C 1.278 177.321 176.094 -0.085 0.000 1.034 118 V CA 0.131 62.404 62.300 -0.046 0.000 1.115 118 V CB -0.669 31.146 31.823 -0.013 0.000 0.934 118 V HN 0.609 nan 8.190 nan 0.000 0.485 119 N N 3.560 122.202 118.700 -0.096 0.000 2.497 119 N HA 0.075 4.815 4.740 -0.000 0.000 0.271 119 N C 0.594 175.944 175.510 -0.266 0.000 1.142 119 N CA 0.426 53.394 53.050 -0.135 0.000 0.965 119 N CB 1.490 39.926 38.487 -0.085 0.000 1.077 119 N HN 0.880 nan 8.380 nan 0.000 0.462 120 T N 1.080 115.379 114.554 -0.425 0.000 3.296 120 T HA 0.266 4.616 4.350 -0.000 0.000 0.285 120 T C 0.731 175.008 174.700 -0.704 0.000 1.014 120 T CA -0.462 61.040 62.100 -0.997 0.000 0.920 120 T CB -0.489 67.874 68.868 -0.842 0.000 1.143 120 T HN 0.285 nan 8.240 nan 0.000 0.522 121 L N 2.046 123.091 121.223 -0.298 0.000 2.455 121 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 121 L C 0.124 177.031 176.870 0.060 0.000 1.174 121 L CA -0.704 54.077 54.840 -0.098 0.000 0.869 121 L CB 0.867 42.903 42.059 -0.038 0.000 1.130 121 L HN 0.091 nan 8.230 nan 0.000 0.474 122 V N 5.065 125.032 119.914 0.088 0.000 2.408 122 V HA 0.132 4.252 4.120 -0.000 0.000 0.267 122 V C 0.228 176.386 176.094 0.106 0.000 1.047 122 V CA -0.393 62.009 62.300 0.170 0.000 0.937 122 V CB 1.306 33.212 31.823 0.139 0.000 0.999 122 V HN 0.409 nan 8.190 nan 0.000 0.472 123 V N 5.494 125.476 119.914 0.113 0.000 2.313 123 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 123 V C 0.209 176.336 176.094 0.055 0.000 1.017 123 V CA -0.429 61.914 62.300 0.072 0.000 0.823 123 V CB 1.417 33.283 31.823 0.072 0.000 1.010 123 V HN 1.067 nan 8.190 nan 0.000 0.443 124 D N 1.906 122.330 120.400 0.040 0.000 2.535 124 D HA 0.021 4.660 4.640 -0.000 0.000 0.229 124 D C 1.039 177.349 176.300 0.017 0.000 1.238 124 D CA 0.217 54.231 54.000 0.024 0.000 0.824 124 D CB 0.407 41.220 40.800 0.022 0.000 1.045 124 D HN 0.542 nan 8.370 nan 0.000 0.500 125 T N -1.732 112.835 114.554 0.022 0.000 3.228 125 T HA 0.346 4.696 4.350 -0.000 0.000 0.278 125 T C 0.635 175.348 174.700 0.022 0.000 1.014 125 T CA -0.559 61.553 62.100 0.019 0.000 0.904 125 T CB -0.325 68.555 68.868 0.020 0.000 1.110 125 T HN 0.011 nan 8.240 nan 0.000 0.541 126 L N 1.928 123.165 121.223 0.024 0.000 2.483 126 L HA 0.300 4.640 4.340 -0.000 0.000 0.275 126 L C 1.143 178.025 176.870 0.020 0.000 1.220 126 L CA -0.504 54.353 54.840 0.028 0.000 0.833 126 L CB 0.275 42.355 42.059 0.035 0.000 1.102 126 L HN 0.243 nan 8.230 nan 0.000 0.490 127 S N 1.718 117.434 115.700 0.025 0.000 2.549 127 S HA 0.108 4.578 4.470 -0.000 0.000 0.286 127 S C -1.383 173.226 174.600 0.015 0.000 1.314 127 S CA -1.067 57.145 58.200 0.020 0.000 1.062 127 S CB 0.779 63.995 63.200 0.026 0.000 0.865 127 S HN 0.410 nan 8.310 nan 0.000 0.498 128 P HA -0.113 nan 4.420 nan 0.000 0.218 128 P C 1.366 178.669 177.300 0.004 0.000 1.146 128 P CA 1.510 64.609 63.100 -0.002 0.000 0.820 128 P CB -0.232 31.466 31.700 -0.004 0.000 0.778 129 T N -5.456 109.109 114.554 0.019 0.000 3.055 129 T HA 0.074 4.424 4.350 -0.000 0.000 0.265 129 T C 0.991 175.724 174.700 0.055 0.000 1.111 129 T CA 0.111 62.230 62.100 0.031 0.000 1.118 129 T CB -0.582 68.306 68.868 0.033 0.000 0.909 129 T HN -0.078 nan 8.240 nan 0.000 0.501 130 S N 1.207 116.943 115.700 0.059 0.000 2.580 130 S HA 0.319 4.789 4.470 -0.000 0.000 0.274 130 S C -0.596 174.081 174.600 0.128 0.000 1.329 130 S CA -1.004 57.259 58.200 0.104 0.000 1.036 130 S CB 0.269 63.526 63.200 0.096 0.000 0.919 130 S HN 0.602 nan 8.310 nan 0.000 0.515 131 W N 2.762 124.071 121.300 0.015 0.000 2.253 131 W HA 0.252 4.912 4.660 -0.000 0.000 0.322 131 W C -0.076 176.459 176.519 0.025 0.000 1.342 131 W CA 0.240 57.593 57.345 0.014 0.000 1.218 131 W CB 0.399 29.868 29.460 0.014 0.000 1.205 131 W HN 0.363 nan 8.180 nan 0.000 0.551 132 Q N 4.392 123.784 119.800 -0.679 0.000 2.289 132 Q HA 0.456 4.795 4.340 -0.000 0.000 0.270 132 Q C -0.415 174.914 176.000 -1.119 0.000 1.038 132 Q CA -0.679 54.778 55.803 -0.577 0.000 0.812 132 Q CB 1.923 30.505 28.738 -0.259 0.000 1.300 132 Q HN 0.629 nan 8.270 nan 0.000 0.427 133 A N 1.198 123.529 122.820 -0.815 0.000 2.327 133 A HA 0.382 4.702 4.320 -0.000 0.000 0.255 133 A C 0.670 178.072 177.584 -0.303 0.000 1.099 133 A CA 0.033 51.766 52.037 -0.507 0.000 0.801 133 A CB 0.355 19.360 19.000 0.007 0.000 1.062 133 A HN 0.712 nan 8.150 nan 0.000 0.496 134 S N -0.667 114.892 115.700 -0.234 0.000 2.556 134 S HA 0.170 4.640 4.470 -0.000 0.000 0.216 134 S C 0.595 175.081 174.600 -0.191 0.000 0.970 134 S CA 0.563 58.641 58.200 -0.203 0.000 0.912 134 S CB -0.318 62.786 63.200 -0.160 0.000 0.790 134 S HN 1.109 nan 8.310 nan 0.000 0.504 135 T N -1.276 113.196 114.554 -0.136 0.000 2.865 135 T HA 0.655 5.005 4.350 -0.000 0.000 0.294 135 T C -0.867 173.776 174.700 -0.096 0.000 1.119 135 T CA -0.812 61.211 62.100 -0.128 0.000 1.007 135 T CB 0.666 69.560 68.868 0.043 0.000 1.225 135 T HN -0.068 nan 8.240 nan 0.000 0.515 136 F N 3.005 123.029 119.950 0.124 0.000 2.567 136 F HA 0.405 4.932 4.527 -0.000 0.000 0.352 136 F C 0.299 176.151 175.800 0.088 0.000 1.229 136 F CA -1.626 56.416 58.000 0.071 0.000 1.228 136 F CB -0.886 38.125 39.000 0.018 0.000 1.568 136 F HN 0.555 nan 8.300 nan 0.000 0.634 137 F N -0.453 119.601 119.950 0.173 0.000 2.380 137 F HA 0.704 5.231 4.527 -0.000 0.000 0.319 137 F C -0.236 175.637 175.800 0.121 0.000 1.113 137 F CA -1.804 56.272 58.000 0.127 0.000 1.056 137 F CB -0.001 39.063 39.000 0.107 0.000 1.289 137 F HN -0.149 nan 8.300 nan 0.000 0.515 138 V N 2.823 122.862 119.914 0.208 0.000 2.446 138 V HA 0.272 4.392 4.120 -0.000 0.000 0.276 138 V C 0.172 176.266 176.094 -0.001 0.000 1.030 138 V CA 0.040 62.381 62.300 0.068 0.000 1.033 138 V CB -0.283 31.613 31.823 0.123 0.000 0.993 138 V HN 0.802 nan 8.190 nan 0.000 0.477 139 R N 3.836 124.242 120.500 -0.156 0.000 2.698 139 R HA 0.384 4.724 4.340 -0.000 0.000 0.275 139 R C -0.002 176.244 176.300 -0.090 0.000 1.001 139 R CA -0.784 55.173 56.100 -0.238 0.000 0.896 139 R CB 1.307 31.301 30.300 -0.509 0.000 1.218 139 R HN 0.737 nan 8.270 nan 0.000 0.462 140 N N 1.079 119.756 118.700 -0.040 0.000 2.725 140 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 140 N C 0.471 175.972 175.510 -0.014 0.000 1.103 140 N CA 1.671 54.708 53.050 -0.023 0.000 0.707 140 N CB -1.065 37.401 38.487 -0.035 0.000 1.043 140 N HN 1.049 nan 8.380 nan 0.000 0.553 141 G N -1.975 106.823 108.800 -0.004 0.000 2.176 141 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.253 141 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.253 141 G C 0.278 175.176 174.900 -0.003 0.000 0.979 141 G CA 0.915 46.016 45.100 0.002 0.000 0.641 141 G HN 1.278 nan 8.290 nan 0.000 0.530 142 S N -0.414 115.278 115.700 -0.014 0.000 2.589 142 S HA 0.492 4.962 4.470 -0.000 0.000 0.265 142 S C 0.111 174.702 174.600 -0.015 0.000 1.342 142 S CA 0.109 58.297 58.200 -0.020 0.000 1.005 142 S CB 1.705 64.884 63.200 -0.035 0.000 0.909 142 S HN 0.618 nan 8.310 nan 0.000 0.555 143 N N 1.814 120.498 118.700 -0.028 0.000 2.546 143 N HA 0.374 5.114 4.740 -0.000 0.000 0.238 143 N C -1.799 173.695 175.510 -0.028 0.000 0.984 143 N CA -2.531 50.494 53.050 -0.041 0.000 0.935 143 N CB 1.246 39.680 38.487 -0.088 0.000 1.122 143 N HN 0.350 nan 8.380 nan 0.000 0.510 144 P HA -0.034 nan 4.420 nan 0.000 0.233 144 P C 0.403 177.723 177.300 0.033 0.000 1.167 144 P CA 0.781 63.896 63.100 0.025 0.000 0.770 144 P CB 0.596 32.327 31.700 0.051 0.000 0.837 145 E N -0.187 120.019 120.200 0.009 0.000 2.274 145 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 145 E C 0.916 177.522 176.600 0.010 0.000 0.996 145 E CA 0.632 57.056 56.400 0.040 0.000 0.840 145 E CB -0.150 29.498 29.700 -0.086 0.000 0.772 145 E HN 0.307 nan 8.360 nan 0.000 0.491 146 Q N 2.132 121.901 119.800 -0.051 0.000 2.294 146 Q HA 0.036 4.376 4.340 -0.000 0.000 0.257 146 Q C -0.828 175.176 176.000 0.006 0.000 0.955 146 Q CA -0.218 55.552 55.803 -0.055 0.000 0.936 146 Q CB 0.830 29.521 28.738 -0.078 0.000 1.188 146 Q HN -0.193 nan 8.270 nan 0.000 0.420 147 D N 5.882 126.305 120.400 0.038 0.000 2.343 147 D HA 0.077 4.717 4.640 -0.000 0.000 0.255 147 D C -1.703 174.609 176.300 0.021 0.000 1.187 147 D CA -1.906 52.117 54.000 0.038 0.000 0.875 147 D CB 1.327 42.162 40.800 0.059 0.000 1.136 147 D HN 0.427 nan 8.370 nan 0.000 0.469 148 P HA -0.083 nan 4.420 nan 0.000 0.222 148 P C 1.245 178.544 177.300 -0.002 0.000 1.147 148 P CA 0.743 63.839 63.100 -0.007 0.000 0.790 148 P CB 0.323 32.008 31.700 -0.025 0.000 0.780 149 L N -1.300 119.926 121.223 0.004 0.000 2.607 149 L HA 0.197 4.537 4.340 -0.000 0.000 0.228 149 L C 1.491 178.368 176.870 0.012 0.000 1.123 149 L CA 0.177 55.019 54.840 0.003 0.000 0.890 149 L CB -0.128 41.930 42.059 -0.002 0.000 1.103 149 L HN -0.185 nan 8.230 nan 0.000 0.468 150 R N -0.188 120.329 120.500 0.028 0.000 2.776 150 R HA 0.214 4.554 4.340 -0.000 0.000 0.391 150 R C -0.352 175.999 176.300 0.085 0.000 1.116 150 R CA -0.279 55.849 56.100 0.046 0.000 1.056 150 R CB 0.243 30.572 30.300 0.048 0.000 1.369 150 R HN 0.048 nan 8.270 nan 0.000 0.590 151 N N 0.598 119.329 118.700 0.052 0.000 2.483 151 N HA 0.354 5.094 4.740 -0.000 0.000 0.285 151 N C -0.682 174.767 175.510 -0.102 0.000 1.210 151 N CA -0.633 52.440 53.050 0.038 0.000 0.931 151 N CB 1.169 39.670 38.487 0.022 0.000 1.220 151 N HN 0.084 nan 8.380 nan 0.000 0.542 152 L N 2.045 123.065 121.223 -0.338 0.000 2.494 152 L HA 0.212 4.552 4.340 -0.000 0.000 0.251 152 L C 1.419 178.108 176.870 -0.301 0.000 1.119 152 L CA -0.292 54.223 54.840 -0.541 0.000 1.026 152 L CB 0.420 41.785 42.059 -1.156 0.000 1.370 152 L HN 0.644 nan 8.230 nan 0.000 0.426 153 S N -0.319 115.298 115.700 -0.139 0.000 2.442 153 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 153 S C 1.772 176.336 174.600 -0.060 0.000 1.007 153 S CA 1.018 59.179 58.200 -0.064 0.000 0.965 153 S CB -0.156 63.020 63.200 -0.041 0.000 0.773 153 S HN 0.641 nan 8.310 nan 0.000 0.504 154 G N 0.387 109.129 108.800 -0.097 0.000 2.712 154 G HA2 0.089 4.049 3.960 -0.000 0.000 0.212 154 G HA3 0.089 4.049 3.960 -0.000 0.000 0.212 154 G C 0.585 175.451 174.900 -0.057 0.000 1.142 154 G CA -0.297 44.763 45.100 -0.067 0.000 0.789 154 G HN 0.389 nan 8.290 nan 0.000 0.535 155 Q N 0.508 120.241 119.800 -0.112 0.000 2.330 155 Q HA 0.482 4.822 4.340 -0.000 0.000 0.279 155 Q C -0.110 175.911 176.000 0.036 0.000 1.024 155 Q CA 0.385 56.153 55.803 -0.059 0.000 0.900 155 Q CB 1.384 30.040 28.738 -0.137 0.000 1.221 155 Q HN 0.289 nan 8.270 nan 0.000 0.396 156 A N 1.759 124.613 122.820 0.057 0.000 2.609 156 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 156 A C -0.985 176.649 177.584 0.082 0.000 1.096 156 A CA -0.527 51.553 52.037 0.073 0.000 0.684 156 A CB 1.307 20.346 19.000 0.065 0.000 1.282 156 A HN 0.479 nan 8.150 nan 0.000 0.412 157 V N -2.196 117.776 119.914 0.098 0.000 3.074 157 V HA 0.967 5.087 4.120 -0.000 0.000 0.314 157 V C -0.418 175.746 176.094 0.116 0.000 1.117 157 V CA -0.572 61.798 62.300 0.117 0.000 1.014 157 V CB 1.595 33.522 31.823 0.173 0.000 1.057 157 V HN 0.936 nan 8.190 nan 0.000 0.438 158 T N 2.007 116.626 114.554 0.108 0.000 2.841 158 T HA 0.615 4.965 4.350 -0.000 0.000 0.283 158 T C -0.486 174.255 174.700 0.069 0.000 1.000 158 T CA -0.513 61.632 62.100 0.076 0.000 0.977 158 T CB 1.336 70.236 68.868 0.053 0.000 0.979 158 T HN 0.769 nan 8.240 nan 0.000 0.446 159 R N 2.359 122.888 120.500 0.049 0.000 2.363 159 R HA 0.625 4.965 4.340 -0.000 0.000 0.297 159 R C -0.910 175.402 176.300 0.020 0.000 1.208 159 R CA -0.624 55.481 56.100 0.010 0.000 1.121 159 R CB 1.021 31.301 30.300 -0.032 0.000 1.124 159 R HN 0.516 nan 8.270 nan 0.000 0.561 160 V N -1.391 118.535 119.914 0.019 0.000 3.147 160 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 160 V C -0.180 175.928 176.094 0.024 0.000 1.302 160 V CA -1.121 61.194 62.300 0.025 0.000 1.015 160 V CB 1.932 33.770 31.823 0.026 0.000 1.086 160 V HN 0.174 nan 8.190 nan 0.000 0.437 161 V N 3.550 123.482 119.914 0.030 0.000 2.599 161 V HA 0.514 4.634 4.120 -0.000 0.000 0.300 161 V C 1.753 177.865 176.094 0.031 0.000 1.034 161 V CA 1.901 64.221 62.300 0.033 0.000 1.115 161 V CB 0.258 32.104 31.823 0.037 0.000 0.934 161 V HN 2.175 nan 8.190 nan 0.000 0.485 162 G N 3.291 112.108 108.800 0.028 0.000 2.195 162 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.246 162 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.246 162 G C 1.000 175.890 174.900 -0.016 0.000 0.984 162 G CA 0.336 45.444 45.100 0.013 0.000 0.633 162 G HN 2.087 nan 8.290 nan 0.000 0.525 163 G N 0.123 108.922 108.800 -0.001 0.000 2.602 163 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.306 163 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.306 163 G C 1.227 176.117 174.900 -0.018 0.000 1.301 163 G CA 1.407 46.506 45.100 -0.002 0.000 0.974 163 G HN 1.127 nan 8.290 nan 0.000 0.547 164 M N 1.503 121.092 119.600 -0.017 0.000 2.446 164 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 164 M C 2.704 178.961 176.300 -0.072 0.000 1.066 164 M CA 1.793 57.089 55.300 -0.005 0.000 1.087 164 M CB -0.237 32.394 32.600 0.051 0.000 1.406 164 M HN 0.703 nan 8.290 nan 0.000 0.459 165 S N -0.535 115.030 115.700 -0.225 0.000 2.555 165 S HA -0.067 4.402 4.470 -0.000 0.000 0.230 165 S C 1.703 176.215 174.600 -0.146 0.000 0.978 165 S CA 1.129 59.062 58.200 -0.445 0.000 0.934 165 S CB -0.915 61.962 63.200 -0.539 0.000 0.766 165 S HN 0.585 nan 8.310 nan 0.000 0.533 166 T N -2.325 112.157 114.554 -0.120 0.000 3.072 166 T HA 0.414 4.764 4.350 -0.000 0.000 0.266 166 T C 1.323 175.837 174.700 -0.310 0.000 1.127 166 T CA 0.622 62.626 62.100 -0.160 0.000 1.107 166 T CB -0.107 68.743 68.868 -0.030 0.000 0.910 166 T HN 0.584 nan 8.240 nan 0.000 0.513 167 A N 0.003 122.733 122.820 -0.150 0.000 2.548 167 A HA 0.418 4.738 4.320 -0.000 0.000 0.236 167 A C 0.720 178.461 177.584 0.262 0.000 1.246 167 A CA -0.642 51.451 52.037 0.094 0.000 0.993 167 A CB -0.146 18.891 19.000 0.063 0.000 1.209 167 A HN 0.645 nan 8.150 nan 0.000 0.570 168 W N 0.166 121.459 121.300 -0.013 0.000 2.042 168 W HA 0.476 5.136 4.660 -0.000 0.000 0.358 168 W C 0.719 177.243 176.519 0.009 0.000 1.325 168 W CA 0.028 57.403 57.345 0.049 0.000 1.311 168 W CB -0.530 28.969 29.460 0.065 0.000 1.210 168 W HN 0.104 nan 8.180 nan 0.000 0.620 169 G N -0.327 108.354 108.800 -0.198 0.000 2.712 169 G HA2 0.022 3.981 3.960 -0.000 0.000 0.212 169 G HA3 0.022 3.981 3.960 -0.000 0.000 0.212 169 G C 0.803 175.227 174.900 -0.793 0.000 1.142 169 G CA 0.717 45.526 45.100 -0.486 0.000 0.789 169 G HN 0.877 nan 8.290 nan 0.000 0.535 170 C N -0.961 117.436 119.300 -1.505 0.000 4.400 170 C HA -0.139 4.321 4.460 -0.000 0.000 0.275 170 C C 1.644 176.154 174.990 -0.800 0.000 1.391 170 C CA -0.849 57.118 59.018 -1.750 0.000 1.816 170 C CB -2.394 24.830 27.740 -0.861 0.000 1.404 170 C HN 0.900 nan 8.230 nan 0.000 0.754 171 A N 1.219 123.763 122.820 -0.460 0.000 2.444 171 A HA 0.515 4.834 4.320 -0.000 0.000 0.273 171 A C 0.823 178.322 177.584 -0.141 0.000 1.136 171 A CA 1.190 53.121 52.037 -0.177 0.000 0.799 171 A CB 0.115 19.090 19.000 -0.041 0.000 1.081 171 A HN 1.340 nan 8.150 nan 0.000 0.509 172 T N 1.686 116.175 114.554 -0.108 0.000 3.466 172 T HA 0.497 4.847 4.350 -0.000 0.000 0.297 172 T C -2.669 171.991 174.700 -0.067 0.000 1.640 172 T CA -1.539 60.531 62.100 -0.051 0.000 1.631 172 T CB 0.489 69.355 68.868 -0.003 0.000 0.928 172 T HN 0.450 nan 8.240 nan 0.000 0.688 173 P HA 0.333 nan 4.420 nan 0.000 0.274 173 P C -0.153 177.010 177.300 -0.228 0.000 1.231 173 P CA -0.565 62.446 63.100 -0.149 0.000 0.790 173 P CB 1.067 32.650 31.700 -0.194 0.000 0.951 174 R N 1.145 121.430 120.500 -0.359 0.000 2.582 174 R HA 0.377 4.717 4.340 -0.000 0.000 0.271 174 R C 0.087 176.257 176.300 -0.216 0.000 1.078 174 R CA -0.405 55.284 56.100 -0.685 0.000 1.127 174 R CB 0.174 29.934 30.300 -0.901 0.000 1.038 174 R HN 0.379 nan 8.270 nan 0.000 0.500 175 F N 1.997 121.717 119.950 -0.383 0.000 2.396 175 F HA 0.057 4.584 4.527 -0.000 0.000 0.343 175 F C 0.983 176.602 175.800 -0.302 0.000 1.104 175 F CA -1.564 56.245 58.000 -0.319 0.000 1.161 175 F CB 0.382 39.189 39.000 -0.323 0.000 1.146 175 F HN 0.545 nan 8.300 nan 0.000 0.522 176 D N 2.538 122.862 120.400 -0.127 0.000 2.377 176 D HA 0.127 4.767 4.640 -0.000 0.000 0.245 176 D C 1.018 177.227 176.300 -0.152 0.000 1.196 176 D CA -0.433 53.492 54.000 -0.123 0.000 0.962 176 D CB 0.611 41.359 40.800 -0.087 0.000 1.127 176 D HN 0.482 nan 8.370 nan 0.000 0.471 177 R N -0.132 120.305 120.500 -0.104 0.000 2.103 177 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 177 R C 2.035 178.277 176.300 -0.095 0.000 1.142 177 R CA 1.703 57.747 56.100 -0.093 0.000 0.960 177 R CB -0.334 29.948 30.300 -0.030 0.000 0.858 177 R HN 0.664 nan 8.270 nan 0.000 0.439 178 E N 0.730 120.874 120.200 -0.092 0.000 2.171 178 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 178 E C 1.519 178.011 176.600 -0.181 0.000 0.997 178 E CA 1.362 57.713 56.400 -0.082 0.000 0.810 178 E CB 0.175 29.881 29.700 0.011 0.000 0.738 178 E HN 0.439 nan 8.360 nan 0.000 0.467 179 Q N -0.787 118.812 119.800 -0.334 0.000 2.319 179 Q HA 0.136 4.475 4.340 -0.000 0.000 0.209 179 Q C 0.294 176.185 176.000 -0.181 0.000 0.884 179 Q CA -0.174 55.375 55.803 -0.424 0.000 0.938 179 Q CB 0.758 28.941 28.738 -0.925 0.000 1.098 179 Q HN -0.063 nan 8.270 nan 0.000 0.517 180 R N 2.315 122.750 120.500 -0.108 0.000 2.407 180 R HA 0.291 4.631 4.340 -0.000 0.000 0.303 180 R C -2.467 173.821 176.300 -0.020 0.000 0.981 180 R CA -2.006 54.031 56.100 -0.104 0.000 0.905 180 R CB 0.967 31.023 30.300 -0.407 0.000 1.099 180 R HN -0.092 nan 8.270 nan 0.000 0.459 181 P HA 0.049 nan 4.420 nan 0.000 0.274 181 P C -0.575 176.898 177.300 0.289 0.000 1.237 181 P CA -0.180 63.014 63.100 0.157 0.000 0.793 181 P CB 0.827 32.619 31.700 0.153 0.000 0.977 182 L N 2.250 123.608 121.223 0.225 0.000 2.426 182 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 182 L C 1.746 178.768 176.870 0.252 0.000 1.169 182 L CA -0.157 54.876 54.840 0.321 0.000 0.836 182 L CB 0.210 42.491 42.059 0.371 0.000 1.112 182 L HN 0.373 nan 8.230 nan 0.000 0.465 183 L N 3.217 124.615 121.223 0.291 0.000 2.575 183 L HA 0.210 4.550 4.340 -0.000 0.000 0.228 183 L C -0.283 176.758 176.870 0.286 0.000 1.075 183 L CA 0.161 55.070 54.840 0.114 0.000 0.867 183 L CB 0.754 42.685 42.059 -0.212 0.000 1.097 183 L HN 0.315 nan 8.230 nan 0.000 0.485 184 V N 1.380 121.471 119.914 0.294 0.000 2.482 184 V HA 0.227 4.346 4.120 -0.000 0.000 0.295 184 V C -0.356 175.843 176.094 0.175 0.000 1.026 184 V CA -0.990 61.427 62.300 0.194 0.000 0.856 184 V CB 1.623 33.506 31.823 0.101 0.000 1.001 184 V HN 0.182 nan 8.190 nan 0.000 0.424 185 K N 2.234 122.631 120.400 -0.005 0.000 2.144 185 K HA 0.522 4.842 4.320 -0.000 0.000 0.270 185 K C -0.236 176.338 176.600 -0.043 0.000 1.005 185 K CA -0.440 55.811 56.287 -0.060 0.000 0.932 185 K CB 0.910 33.209 32.500 -0.335 0.000 1.021 185 K HN 0.560 nan 8.250 nan 0.000 0.462 186 D N -0.488 119.909 120.400 -0.005 0.000 2.978 186 D HA -0.166 4.473 4.640 -0.000 0.000 0.205 186 D C -0.714 175.594 176.300 0.013 0.000 1.093 186 D CA 1.627 55.626 54.000 -0.002 0.000 1.006 186 D CB -0.867 39.917 40.800 -0.026 0.000 1.116 186 D HN 0.794 nan 8.370 nan 0.000 0.419 187 D N -0.703 119.714 120.400 0.029 0.000 2.346 187 D HA 0.550 5.190 4.640 -0.000 0.000 0.255 187 D C 0.934 177.270 176.300 0.060 0.000 1.276 187 D CA 0.191 54.213 54.000 0.037 0.000 0.941 187 D CB 0.814 41.631 40.800 0.028 0.000 1.199 187 D HN 0.006 nan 8.370 nan 0.000 0.537 188 A N 2.922 125.778 122.820 0.060 0.000 1.969 188 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 188 A C 1.567 179.199 177.584 0.080 0.000 1.169 188 A CA 1.192 53.275 52.037 0.076 0.000 0.635 188 A CB 0.068 19.105 19.000 0.062 0.000 0.810 188 A HN 0.484 nan 8.150 nan 0.000 0.445 189 D N -0.016 120.421 120.400 0.062 0.000 2.234 189 D HA 0.061 4.700 4.640 -0.000 0.000 0.205 189 D C 2.161 178.500 176.300 0.065 0.000 0.962 189 D CA 1.125 55.162 54.000 0.061 0.000 0.855 189 D CB -0.223 40.604 40.800 0.045 0.000 0.951 189 D HN 0.439 nan 8.370 nan 0.000 0.500 190 A N 1.265 124.119 122.820 0.058 0.000 1.933 190 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 190 A C 1.956 179.584 177.584 0.073 0.000 1.175 190 A CA 1.907 53.974 52.037 0.051 0.000 0.628 190 A CB -0.461 18.563 19.000 0.040 0.000 0.814 190 A HN 0.147 nan 8.150 nan 0.000 0.444 191 D N -0.505 119.961 120.400 0.111 0.000 2.123 191 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 191 D C 1.297 177.755 176.300 0.264 0.000 0.976 191 D CA 1.334 55.444 54.000 0.182 0.000 0.831 191 D CB -0.107 40.829 40.800 0.227 0.000 0.974 191 D HN 0.309 nan 8.370 nan 0.000 0.469 192 D N -0.085 120.438 120.400 0.205 0.000 2.104 192 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 192 D C 1.983 178.392 176.300 0.182 0.000 0.994 192 D CA 1.548 55.668 54.000 0.201 0.000 0.830 192 D CB -0.526 40.349 40.800 0.125 0.000 0.959 192 D HN 0.332 nan 8.370 nan 0.000 0.452 193 A N 0.532 123.421 122.820 0.115 0.000 1.898 193 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 193 A C 2.145 179.762 177.584 0.054 0.000 1.181 193 A CA 1.869 53.952 52.037 0.077 0.000 0.620 193 A CB -0.552 18.476 19.000 0.046 0.000 0.819 193 A HN 0.212 nan 8.150 nan 0.000 0.442 194 E N -0.866 119.346 120.200 0.019 0.000 2.031 194 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 194 E C 1.696 178.212 176.600 -0.141 0.000 0.994 194 E CA 1.736 58.078 56.400 -0.097 0.000 0.800 194 E CB -0.416 29.179 29.700 -0.175 0.000 0.752 194 E HN 0.722 nan 8.360 nan 0.000 0.447 195 W N 0.781 122.049 121.300 -0.054 0.000 2.358 195 W HA -0.128 4.532 4.660 -0.000 0.000 0.303 195 W C 2.207 178.727 176.519 0.002 0.000 1.208 195 W CA 1.256 58.536 57.345 -0.108 0.000 1.274 195 W CB -0.440 28.995 29.460 -0.041 0.000 1.138 195 W HN 0.272 nan 8.180 nan 0.000 0.515 196 D N 0.111 120.687 120.400 0.293 0.000 2.123 196 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 196 D C 2.146 178.525 176.300 0.131 0.000 0.992 196 D CA 1.554 55.689 54.000 0.226 0.000 0.833 196 D CB -0.224 40.664 40.800 0.147 0.000 0.954 196 D HN 0.007 nan 8.370 nan 0.000 0.455 197 R N -0.394 120.136 120.500 0.050 0.000 2.092 197 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 197 R C 2.338 178.603 176.300 -0.058 0.000 1.119 197 R CA 0.909 57.001 56.100 -0.014 0.000 0.970 197 R CB -0.187 30.087 30.300 -0.043 0.000 0.864 197 R HN 0.272 nan 8.270 nan 0.000 0.440 198 L N -0.672 120.489 121.223 -0.102 0.000 2.068 198 L HA -0.116 4.224 4.340 -0.000 0.000 0.204 198 L C 2.168 178.985 176.870 -0.089 0.000 1.076 198 L CA 0.956 55.679 54.840 -0.195 0.000 0.753 198 L CB -0.523 41.308 42.059 -0.381 0.000 0.910 198 L HN 0.165 nan 8.230 nan 0.000 0.439 199 Y N 0.331 120.641 120.300 0.016 0.000 2.242 199 Y HA -0.212 4.338 4.550 -0.000 0.000 0.291 199 Y C 2.845 178.730 175.900 -0.024 0.000 1.137 199 Y CA 1.421 59.537 58.100 0.027 0.000 1.181 199 Y CB -1.039 37.469 38.460 0.080 0.000 0.989 199 Y HN 0.130 nan 8.280 nan 0.000 0.527 200 T N -0.371 114.257 114.554 0.123 0.000 2.746 200 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 200 T C 1.982 176.656 174.700 -0.044 0.000 1.039 200 T CA 1.581 63.705 62.100 0.041 0.000 1.142 200 T CB -0.159 68.727 68.868 0.029 0.000 0.866 200 T HN 0.223 nan 8.240 nan 0.000 0.444 201 K N 0.888 121.209 120.400 -0.132 0.000 2.032 201 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 201 K C 2.514 178.807 176.600 -0.511 0.000 1.048 201 K CA 1.284 57.366 56.287 -0.343 0.000 0.927 201 K CB -0.311 31.939 32.500 -0.417 0.000 0.712 201 K HN 0.281 nan 8.250 nan 0.000 0.441 202 A N 1.164 123.795 122.820 -0.315 0.000 1.902 202 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 202 A C 1.821 179.420 177.584 0.026 0.000 1.181 202 A CA 1.749 53.669 52.037 -0.195 0.000 0.623 202 A CB -0.469 18.528 19.000 -0.006 0.000 0.818 202 A HN 0.455 nan 8.150 nan 0.000 0.443 203 E N 0.152 120.401 120.200 0.082 0.000 2.110 203 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 203 E C 2.373 179.062 176.600 0.148 0.000 0.988 203 E CA 1.435 57.928 56.400 0.153 0.000 0.804 203 E CB -0.182 29.579 29.700 0.102 0.000 0.745 203 E HN 0.813 nan 8.360 nan 0.000 0.458 204 S N 0.198 115.936 115.700 0.064 0.000 2.368 204 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 204 S C 1.945 176.691 174.600 0.243 0.000 1.029 204 S CA 0.739 59.004 58.200 0.108 0.000 0.988 204 S CB -0.476 62.756 63.200 0.053 0.000 0.838 204 S HN 0.205 nan 8.310 nan 0.000 0.462 205 Y N 0.639 120.959 120.300 0.033 0.000 2.165 205 Y HA 0.073 4.623 4.550 -0.000 0.000 0.286 205 Y C 2.044 177.983 175.900 0.066 0.000 1.155 205 Y CA 0.095 58.181 58.100 -0.024 0.000 1.164 205 Y CB -1.131 37.228 38.460 -0.168 0.000 0.978 205 Y HN 0.320 nan 8.280 nan 0.000 0.513 206 F N 0.062 120.169 119.950 0.263 0.000 2.776 206 F HA 0.082 4.608 4.527 -0.000 0.000 0.300 206 F C 0.779 176.695 175.800 0.193 0.000 1.116 206 F CA -0.050 58.096 58.000 0.244 0.000 1.375 206 F CB -0.278 38.888 39.000 0.275 0.000 1.109 206 F HN -0.027 nan 8.300 nan 0.000 0.585 207 Q N 0.478 120.472 119.800 0.322 0.000 2.453 207 Q HA -0.197 4.143 4.340 -0.000 0.000 0.294 207 Q C 0.053 176.143 176.000 0.150 0.000 1.295 207 Q CA 0.764 56.682 55.803 0.191 0.000 0.853 207 Q CB -2.651 26.177 28.738 0.151 0.000 1.193 207 Q HN 0.209 nan 8.270 nan 0.000 0.461 208 T N 0.034 114.690 114.554 0.171 0.000 2.888 208 T HA 0.452 4.802 4.350 -0.000 0.000 0.301 208 T C 0.770 175.509 174.700 0.064 0.000 1.001 208 T CA 0.574 62.740 62.100 0.110 0.000 1.147 208 T CB 1.278 70.218 68.868 0.120 0.000 0.931 208 T HN 0.485 nan 8.240 nan 0.000 0.541 209 G N 0.783 109.606 108.800 0.038 0.000 2.708 209 G HA2 0.560 4.520 3.960 -0.000 0.000 0.289 209 G HA3 0.560 4.520 3.960 -0.000 0.000 0.289 209 G C 0.065 174.981 174.900 0.027 0.000 1.416 209 G CA -0.609 44.506 45.100 0.024 0.000 0.829 209 G HN 0.609 nan 8.290 nan 0.000 0.480 210 T N -2.395 112.175 114.554 0.027 0.000 3.288 210 T HA 0.268 4.618 4.350 -0.000 0.000 0.293 210 T C 0.077 174.801 174.700 0.040 0.000 1.008 210 T CA 0.461 62.587 62.100 0.043 0.000 0.929 210 T CB 0.357 69.255 68.868 0.050 0.000 1.152 210 T HN 0.503 nan 8.240 nan 0.000 0.517 211 D N 0.219 120.625 120.400 0.009 0.000 2.520 211 D HA 0.072 4.712 4.640 -0.000 0.000 0.223 211 D C 1.269 177.516 176.300 -0.088 0.000 1.186 211 D CA -0.092 53.894 54.000 -0.024 0.000 0.821 211 D CB -0.006 40.773 40.800 -0.034 0.000 1.072 211 D HN 0.271 nan 8.370 nan 0.000 0.518 212 Q N -0.504 119.244 119.800 -0.086 0.000 2.378 212 Q HA 0.204 4.544 4.340 -0.000 0.000 0.205 212 Q C 0.219 175.888 176.000 -0.552 0.000 0.954 212 Q CA 0.765 56.396 55.803 -0.288 0.000 0.901 212 Q CB -0.110 28.454 28.738 -0.290 0.000 0.981 212 Q HN 0.243 nan 8.270 nan 0.000 0.483 213 F N -0.009 119.786 119.950 -0.258 0.000 2.735 213 F HA 0.221 4.748 4.527 -0.000 0.000 0.304 213 F C 1.235 176.840 175.800 -0.325 0.000 1.119 213 F CA -0.505 57.301 58.000 -0.323 0.000 1.280 213 F CB 0.412 39.149 39.000 -0.438 0.000 0.994 213 F HN -0.009 nan 8.300 nan 0.000 0.520 214 K N 0.225 120.544 120.400 -0.136 0.000 2.283 214 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 214 K C 0.563 177.098 176.600 -0.110 0.000 1.048 214 K CA 1.530 57.787 56.287 -0.050 0.000 0.948 214 K CB -0.121 32.346 32.500 -0.056 0.000 0.742 214 K HN 0.315 nan 8.250 nan 0.000 0.458 215 E N 1.724 121.742 120.200 -0.303 0.000 2.496 215 E HA 0.052 4.402 4.350 -0.000 0.000 0.202 215 E C -0.770 175.688 176.600 -0.238 0.000 1.021 215 E CA -0.312 55.702 56.400 -0.644 0.000 1.015 215 E CB 0.989 30.131 29.700 -0.930 0.000 1.102 215 E HN 0.208 nan 8.360 nan 0.000 0.452 216 S N 0.713 116.422 115.700 0.015 0.000 2.489 216 S HA 0.211 4.681 4.470 -0.000 0.000 0.277 216 S C 1.197 175.885 174.600 0.147 0.000 1.230 216 S CA -0.518 57.740 58.200 0.097 0.000 1.053 216 S CB 0.547 63.859 63.200 0.188 0.000 0.955 216 S HN 0.228 nan 8.310 nan 0.000 0.488 217 I N 4.742 125.278 120.570 -0.057 0.000 2.226 217 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 217 I C 2.677 178.642 176.117 -0.253 0.000 1.100 217 I CA 1.146 62.177 61.300 -0.448 0.000 1.374 217 I CB -0.194 37.338 38.000 -0.780 0.000 1.057 217 I HN 0.709 nan 8.210 nan 0.000 0.413 218 R N -0.534 119.900 120.500 -0.111 0.000 2.096 218 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 218 R C 2.336 178.673 176.300 0.062 0.000 1.127 218 R CA 1.574 57.658 56.100 -0.027 0.000 0.968 218 R CB -0.570 29.725 30.300 -0.008 0.000 0.861 218 R HN 0.433 nan 8.270 nan 0.000 0.440 219 H N 1.020 120.114 119.070 0.040 0.000 2.321 219 H HA -0.017 4.539 4.556 -0.000 0.000 0.300 219 H C 1.766 177.166 175.328 0.120 0.000 1.087 219 H CA 1.762 57.855 56.048 0.076 0.000 1.319 219 H CB -0.020 29.818 29.762 0.127 0.000 1.379 219 H HN 0.104 nan 8.280 nan 0.000 0.501 220 N N 0.077 118.895 118.700 0.197 0.000 2.270 220 N HA -0.117 4.623 4.740 -0.000 0.000 0.181 220 N C 2.006 177.659 175.510 0.238 0.000 1.016 220 N CA 0.902 54.100 53.050 0.247 0.000 0.870 220 N CB -0.179 38.648 38.487 0.566 0.000 0.979 220 N HN 0.303 nan 8.380 nan 0.000 0.431 221 L N 1.378 122.749 121.223 0.245 0.000 2.012 221 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 221 L C 2.131 179.056 176.870 0.091 0.000 1.073 221 L CA 1.413 56.392 54.840 0.232 0.000 0.748 221 L CB -0.572 41.580 42.059 0.155 0.000 0.891 221 L HN -0.117 nan 8.230 nan 0.000 0.431 222 V N -0.824 119.096 119.914 0.010 0.000 2.307 222 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 222 V C 2.417 178.432 176.094 -0.131 0.000 1.045 222 V CA 1.599 63.868 62.300 -0.050 0.000 1.024 222 V CB -0.687 31.085 31.823 -0.086 0.000 0.651 222 V HN 0.505 nan 8.190 nan 0.000 0.449 223 L N 1.027 122.137 121.223 -0.188 0.000 1.989 223 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 223 L C 2.221 179.020 176.870 -0.119 0.000 1.071 223 L CA 2.147 56.868 54.840 -0.198 0.000 0.749 223 L CB -0.995 40.914 42.059 -0.249 0.000 0.890 223 L HN 0.304 nan 8.230 nan 0.000 0.431 224 N N -0.133 118.550 118.700 -0.029 0.000 2.120 224 N HA -0.212 4.527 4.740 -0.000 0.000 0.188 224 N C 1.848 177.344 175.510 -0.024 0.000 1.024 224 N CA 1.431 54.485 53.050 0.007 0.000 0.852 224 N CB -0.358 38.163 38.487 0.057 0.000 1.003 224 N HN 0.289 nan 8.380 nan 0.000 0.424 225 K N 1.316 121.700 120.400 -0.026 0.000 2.026 225 K HA 0.045 4.365 4.320 -0.000 0.000 0.208 225 K C 1.945 178.501 176.600 -0.073 0.000 1.048 225 K CA 0.957 57.226 56.287 -0.029 0.000 0.929 225 K CB -0.479 32.022 32.500 0.002 0.000 0.713 225 K HN 0.128 nan 8.250 nan 0.000 0.439 226 L N 0.056 121.164 121.223 -0.191 0.000 2.083 226 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 226 L C 2.236 178.942 176.870 -0.274 0.000 1.083 226 L CA 1.635 56.254 54.840 -0.369 0.000 0.752 226 L CB -0.755 40.658 42.059 -1.077 0.000 0.899 226 L HN 0.255 nan 8.230 nan 0.000 0.433 227 T N -0.910 113.525 114.554 -0.199 0.000 2.746 227 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 227 T C 1.795 176.559 174.700 0.107 0.000 1.039 227 T CA 1.688 63.832 62.100 0.074 0.000 1.142 227 T CB -0.055 68.862 68.868 0.082 0.000 0.866 227 T HN 0.271 nan 8.240 nan 0.000 0.444 228 E N 0.961 121.183 120.200 0.036 0.000 2.072 228 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 228 E C 2.243 178.853 176.600 0.017 0.000 0.982 228 E CA 0.957 57.373 56.400 0.025 0.000 0.803 228 E CB -0.057 29.640 29.700 -0.006 0.000 0.755 228 E HN 0.313 nan 8.360 nan 0.000 0.453 229 E N -0.572 119.625 120.200 -0.007 0.000 2.150 229 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 229 E C 0.669 177.161 176.600 -0.180 0.000 0.985 229 E CA 0.825 57.157 56.400 -0.112 0.000 0.814 229 E CB -0.051 29.533 29.700 -0.194 0.000 0.752 229 E HN 0.463 nan 8.360 nan 0.000 0.466 230 Y N 0.723 121.074 120.300 0.086 0.000 2.683 230 Y HA 0.176 4.726 4.550 -0.000 0.000 0.297 230 Y C 0.456 176.424 175.900 0.112 0.000 1.147 230 Y CA -0.286 57.894 58.100 0.133 0.000 1.274 230 Y CB 0.285 38.909 38.460 0.273 0.000 1.143 230 Y HN -0.329 nan 8.280 nan 0.000 0.527 231 K N 0.707 121.208 120.400 0.169 0.000 2.453 231 K HA 0.145 4.465 4.320 -0.000 0.000 0.280 231 K C 1.004 177.672 176.600 0.112 0.000 1.045 231 K CA 1.192 57.558 56.287 0.132 0.000 1.059 231 K CB 0.038 32.583 32.500 0.075 0.000 0.901 231 K HN 0.677 nan 8.250 nan 0.000 0.475 232 G N 2.958 111.826 108.800 0.114 0.000 2.176 232 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.232 232 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.232 232 G C 0.564 175.523 174.900 0.098 0.000 0.986 232 G CA 0.294 45.445 45.100 0.085 0.000 0.643 232 G HN 0.682 nan 8.290 nan 0.000 0.522 233 Q N -1.367 118.519 119.800 0.143 0.000 2.519 233 Q HA 0.283 4.622 4.340 -0.000 0.000 0.248 233 Q C 0.875 176.942 176.000 0.111 0.000 0.804 233 Q CA 0.002 55.890 55.803 0.143 0.000 0.979 233 Q CB 1.172 30.034 28.738 0.205 0.000 1.282 233 Q HN 0.416 nan 8.270 nan 0.000 0.558 234 R N 0.805 121.370 120.500 0.108 0.000 2.651 234 R HA 0.401 4.741 4.340 -0.000 0.000 0.278 234 R C -1.616 174.642 176.300 -0.070 0.000 1.010 234 R CA -0.634 55.410 56.100 -0.094 0.000 0.896 234 R CB 1.897 31.910 30.300 -0.478 0.000 1.211 234 R HN -0.020 nan 8.270 nan 0.000 0.456 235 D N 1.935 122.230 120.400 -0.175 0.000 2.163 235 D HA 0.417 5.057 4.640 -0.000 0.000 0.248 235 D C -0.668 175.444 176.300 -0.313 0.000 1.035 235 D CA 0.057 54.012 54.000 -0.075 0.000 0.872 235 D CB 1.417 42.209 40.800 -0.012 0.000 1.183 235 D HN 0.150 nan 8.370 nan 0.000 0.445 236 F N 0.594 120.552 119.950 0.013 0.000 2.561 236 F HA 0.366 4.893 4.527 -0.000 0.000 0.321 236 F C 0.638 176.458 175.800 0.033 0.000 1.065 236 F CA -0.628 57.376 58.000 0.006 0.000 0.934 236 F CB 1.908 40.907 39.000 -0.001 0.000 1.215 236 F HN 0.223 nan 8.300 nan 0.000 0.471 237 Q N -0.011 119.912 119.800 0.206 0.000 2.814 237 Q HA 0.346 4.686 4.340 -0.000 0.000 0.322 237 Q C -1.605 174.518 176.000 0.204 0.000 0.861 237 Q CA -1.284 54.624 55.803 0.174 0.000 0.773 237 Q CB 1.728 30.532 28.738 0.110 0.000 1.423 237 Q HN 0.618 nan 8.270 nan 0.000 0.495 238 Q N 0.963 120.897 119.800 0.224 0.000 2.332 238 Q HA 0.249 4.589 4.340 -0.000 0.000 0.263 238 Q C -0.446 175.630 176.000 0.127 0.000 0.979 238 Q CA -0.243 55.698 55.803 0.231 0.000 0.885 238 Q CB 0.512 29.344 28.738 0.158 0.000 1.218 238 Q HN 0.555 nan 8.270 nan 0.000 0.405 239 I N 6.642 127.269 120.570 0.095 0.000 2.906 239 I HA -0.099 4.071 4.170 -0.000 0.000 0.302 239 I C -1.963 174.178 176.117 0.041 0.000 1.220 239 I CA -1.148 60.184 61.300 0.053 0.000 1.441 239 I CB 0.001 38.006 38.000 0.009 0.000 1.336 239 I HN 0.459 nan 8.210 nan 0.000 0.565 240 P HA 0.294 nan 4.420 nan 0.000 0.276 240 P C -0.898 176.401 177.300 -0.003 0.000 1.243 240 P CA 0.019 63.128 63.100 0.015 0.000 0.768 240 P CB 0.569 32.265 31.700 -0.006 0.000 0.856 241 L N 2.312 123.544 121.223 0.015 0.000 2.365 241 L HA 0.645 4.985 4.340 -0.000 0.000 0.273 241 L C 0.323 177.194 176.870 0.002 0.000 1.000 241 L CA -1.170 53.676 54.840 0.010 0.000 0.819 241 L CB 2.107 44.241 42.059 0.125 0.000 1.284 241 L HN 0.253 nan 8.230 nan 0.000 0.418 242 A N 3.148 125.932 122.820 -0.061 0.000 2.539 242 A HA 0.772 5.092 4.320 -0.000 0.000 0.306 242 A C 0.022 177.646 177.584 0.067 0.000 1.392 242 A CA 0.129 52.173 52.037 0.011 0.000 1.060 242 A CB -0.273 18.663 19.000 -0.107 0.000 1.134 242 A HN 0.828 nan 8.150 nan 0.000 0.542 243 A N 1.989 124.819 122.820 0.016 0.000 2.581 243 A HA 0.712 5.032 4.320 -0.000 0.000 0.294 243 A C -0.543 176.943 177.584 -0.162 0.000 1.035 243 A CA -0.464 51.490 52.037 -0.138 0.000 0.684 243 A CB 0.621 19.391 19.000 -0.384 0.000 1.282 243 A HN 0.730 nan 8.150 nan 0.000 0.417 244 T N 1.336 115.759 114.554 -0.219 0.000 2.879 244 T HA 0.488 4.838 4.350 -0.000 0.000 0.290 244 T C -0.077 174.469 174.700 -0.257 0.000 0.993 244 T CA -0.453 61.543 62.100 -0.174 0.000 0.975 244 T CB 1.308 70.127 68.868 -0.082 0.000 0.981 244 T HN 0.756 nan 8.240 nan 0.000 0.439 245 R N 2.108 122.442 120.500 -0.276 0.000 2.489 245 R HA 0.247 4.587 4.340 -0.000 0.000 0.287 245 R C 1.306 177.513 176.300 -0.154 0.000 1.053 245 R CA -0.073 55.853 56.100 -0.289 0.000 1.036 245 R CB 0.409 30.503 30.300 -0.342 0.000 0.966 245 R HN 0.634 nan 8.270 nan 0.000 0.432 246 R N 1.576 122.032 120.500 -0.073 0.000 2.175 246 R HA 0.073 4.413 4.340 -0.000 0.000 0.202 246 R C -0.324 175.949 176.300 -0.044 0.000 1.018 246 R CA 0.976 57.066 56.100 -0.017 0.000 1.029 246 R CB 0.365 30.716 30.300 0.086 0.000 0.959 246 R HN 0.769 nan 8.270 nan 0.000 0.480 247 S N -2.246 113.428 115.700 -0.043 0.000 2.636 247 S HA 0.334 4.804 4.470 -0.000 0.000 0.268 247 S C -2.615 171.934 174.600 -0.085 0.000 1.159 247 S CA -1.172 56.995 58.200 -0.055 0.000 0.815 247 S CB 1.665 64.851 63.200 -0.024 0.000 1.130 247 S HN -0.154 nan 8.310 nan 0.000 0.471 248 P HA 0.089 nan 4.420 nan 0.000 0.230 248 P C 1.029 178.278 177.300 -0.086 0.000 1.158 248 P CA 1.454 64.490 63.100 -0.106 0.000 0.769 248 P CB -0.198 31.456 31.700 -0.076 0.000 0.807 249 T N -6.383 108.154 114.554 -0.028 0.000 3.084 249 T HA 0.288 4.638 4.350 -0.000 0.000 0.270 249 T C -0.224 174.516 174.700 0.065 0.000 1.008 249 T CA -0.358 61.748 62.100 0.009 0.000 0.900 249 T CB -0.565 68.329 68.868 0.044 0.000 1.084 249 T HN -0.126 nan 8.240 nan 0.000 0.538 250 F N 1.407 121.274 119.950 -0.138 0.000 2.573 250 F HA 0.653 5.180 4.527 -0.000 0.000 0.316 250 F C -1.600 174.044 175.800 -0.260 0.000 1.148 250 F CA -1.117 56.796 58.000 -0.145 0.000 0.940 250 F CB 1.999 40.937 39.000 -0.104 0.000 1.214 250 F HN -0.117 nan 8.300 nan 0.000 0.448 251 V N 5.001 124.466 119.914 -0.748 0.000 2.417 251 V HA 0.286 4.406 4.120 -0.000 0.000 0.291 251 V C -0.340 175.136 176.094 -1.031 0.000 1.024 251 V CA -0.825 60.948 62.300 -0.879 0.000 0.861 251 V CB 1.673 32.743 31.823 -1.255 0.000 0.985 251 V HN 0.731 nan 8.190 nan 0.000 0.436 252 E N 4.385 124.295 120.200 -0.483 0.000 1.941 252 E HA 0.149 4.499 4.350 -0.000 0.000 0.275 252 E C -1.040 175.380 176.600 -0.300 0.000 1.113 252 E CA -0.500 55.780 56.400 -0.199 0.000 0.878 252 E CB 0.391 30.121 29.700 0.050 0.000 1.070 252 E HN 0.624 nan 8.360 nan 0.000 0.399 253 W N 2.805 123.998 121.300 -0.178 0.000 2.216 253 W HA 0.113 4.773 4.660 -0.000 0.000 0.326 253 W C 0.714 177.260 176.519 0.046 0.000 1.319 253 W CA -0.579 56.645 57.345 -0.200 0.000 1.213 253 W CB 0.835 29.936 29.460 -0.599 0.000 1.171 253 W HN 0.307 nan 8.180 nan 0.000 0.557 254 S N 1.552 117.481 115.700 0.381 0.000 2.624 254 S HA 0.619 5.088 4.470 -0.000 0.000 0.263 254 S C 0.153 175.200 174.600 0.745 0.000 1.287 254 S CA -0.535 57.949 58.200 0.474 0.000 0.990 254 S CB 1.163 64.644 63.200 0.470 0.000 0.950 254 S HN 0.525 nan 8.310 nan 0.000 0.561 255 S N -0.387 115.688 115.700 0.625 0.000 2.724 255 S HA 0.668 5.138 4.470 -0.000 0.000 0.278 255 S C 0.782 175.581 174.600 0.330 0.000 1.190 255 S CA -0.304 58.198 58.200 0.504 0.000 0.860 255 S CB 0.475 63.886 63.200 0.352 0.000 1.206 255 S HN 0.719 nan 8.310 nan 0.000 0.507 256 A N 1.605 124.513 122.820 0.147 0.000 1.927 256 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 256 A C 1.993 179.628 177.584 0.084 0.000 1.185 256 A CA 2.206 54.289 52.037 0.078 0.000 0.639 256 A CB -1.586 17.430 19.000 0.028 0.000 0.820 256 A HN 0.870 nan 8.150 nan 0.000 0.451 257 N N -0.693 118.065 118.700 0.097 0.000 2.205 257 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 257 N C 1.464 177.002 175.510 0.047 0.000 1.015 257 N CA 1.960 55.041 53.050 0.052 0.000 0.862 257 N CB -0.182 38.348 38.487 0.071 0.000 0.986 257 N HN 0.469 nan 8.380 nan 0.000 0.429 258 T N 0.409 115.040 114.554 0.127 0.000 2.821 258 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 258 T C 2.074 176.814 174.700 0.067 0.000 1.046 258 T CA 0.937 63.117 62.100 0.133 0.000 1.139 258 T CB -0.123 68.904 68.868 0.265 0.000 0.871 258 T HN 0.057 nan 8.240 nan 0.000 0.454 259 V N -0.284 119.653 119.914 0.039 0.000 2.307 259 V HA 0.112 4.232 4.120 -0.000 0.000 0.245 259 V C 0.541 176.595 176.094 -0.066 0.000 1.045 259 V CA 1.039 63.283 62.300 -0.094 0.000 1.024 259 V CB -0.388 31.332 31.823 -0.171 0.000 0.651 259 V HN 0.488 nan 8.190 nan 0.000 0.449 260 F N 0.918 120.745 119.950 -0.205 0.000 2.623 260 F HA 0.391 4.918 4.527 -0.000 0.000 0.323 260 F C 0.099 175.787 175.800 -0.186 0.000 1.158 260 F CA -1.635 56.216 58.000 -0.248 0.000 1.030 260 F CB 1.417 40.220 39.000 -0.328 0.000 1.280 260 F HN 0.152 nan 8.300 nan 0.000 0.474 261 D N 4.804 124.746 120.400 -0.763 0.000 2.363 261 D HA -0.005 4.635 4.640 -0.000 0.000 0.226 261 D C 1.144 177.181 176.300 -0.438 0.000 1.020 261 D CA 0.961 54.679 54.000 -0.470 0.000 0.892 261 D CB -0.028 40.552 40.800 -0.367 0.000 0.900 261 D HN 0.682 nan 8.370 nan 0.000 0.531 262 L N -1.872 118.933 121.223 -0.697 0.000 4.696 262 L HA -0.237 4.103 4.340 -0.000 0.000 0.425 262 L C -0.207 176.648 176.870 -0.026 0.000 1.115 262 L CA 0.435 55.156 54.840 -0.198 0.000 0.996 262 L CB -1.309 40.767 42.059 0.029 0.000 2.077 262 L HN 0.217 nan 8.230 nan 0.000 0.792 263 Q N 0.879 120.569 119.800 -0.184 0.000 2.352 263 Q HA 0.218 4.558 4.340 -0.000 0.000 0.260 263 Q C 0.381 176.457 176.000 0.126 0.000 0.976 263 Q CA -0.018 55.758 55.803 -0.045 0.000 0.881 263 Q CB 0.590 29.265 28.738 -0.105 0.000 1.235 263 Q HN 0.131 nan 8.270 nan 0.000 0.419 264 N N 1.929 120.692 118.700 0.106 0.000 2.492 264 N HA 0.106 4.846 4.740 -0.000 0.000 0.260 264 N C -0.297 175.282 175.510 0.115 0.000 1.215 264 N CA 0.348 53.466 53.050 0.113 0.000 0.923 264 N CB 0.618 39.080 38.487 -0.042 0.000 1.092 264 N HN 0.245 nan 8.380 nan 0.000 0.448 265 R N 1.358 121.961 120.500 0.172 0.000 2.750 265 R HA 0.496 4.836 4.340 -0.000 0.000 0.281 265 R C -2.420 173.963 176.300 0.137 0.000 0.972 265 R CA -1.603 54.591 56.100 0.156 0.000 0.912 265 R CB 2.065 32.498 30.300 0.223 0.000 1.187 265 R HN 0.401 nan 8.270 nan 0.000 0.464 266 P HA 0.131 nan 4.420 nan 0.000 0.274 266 P C -1.371 175.984 177.300 0.092 0.000 1.231 266 P CA -0.299 62.896 63.100 0.157 0.000 0.790 266 P CB 0.746 32.590 31.700 0.240 0.000 0.951 267 N N -1.549 117.191 118.700 0.067 0.000 2.934 267 N HA 0.204 4.944 4.740 -0.000 0.000 0.253 267 N C 0.526 176.048 175.510 0.020 0.000 1.466 267 N CA -0.742 52.328 53.050 0.034 0.000 0.858 267 N CB -0.617 37.879 38.487 0.016 0.000 1.459 267 N HN 0.074 nan 8.380 nan 0.000 0.532 268 T N -0.898 113.660 114.554 0.007 0.000 2.759 268 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 268 T C 0.344 175.039 174.700 -0.008 0.000 1.042 268 T CA 1.750 63.850 62.100 -0.000 0.000 1.140 268 T CB -0.437 68.428 68.868 -0.005 0.000 0.864 268 T HN 0.536 nan 8.240 nan 0.000 0.455 269 D N 1.160 121.551 120.400 -0.014 0.000 2.317 269 D HA 0.214 4.854 4.640 -0.000 0.000 0.211 269 D C 0.757 177.046 176.300 -0.019 0.000 0.966 269 D CA 0.439 54.426 54.000 -0.022 0.000 0.876 269 D CB 0.088 40.867 40.800 -0.035 0.000 0.927 269 D HN 0.432 nan 8.370 nan 0.000 0.519 270 A N 0.896 123.713 122.820 -0.005 0.000 3.127 270 A HA 0.367 4.687 4.320 -0.000 0.000 0.319 270 A C -2.136 175.467 177.584 0.031 0.000 1.104 270 A CA -0.870 51.172 52.037 0.008 0.000 0.802 270 A CB 1.124 20.135 19.000 0.018 0.000 1.193 270 A HN -0.169 nan 8.150 nan 0.000 0.479 271 P HA 0.050 nan 4.420 nan 0.000 0.240 271 P C 0.395 177.679 177.300 -0.026 0.000 1.190 271 P CA 0.910 64.018 63.100 0.014 0.000 0.781 271 P CB 0.603 32.289 31.700 -0.023 0.000 0.931 272 E N -0.174 119.967 120.200 -0.099 0.000 2.548 272 E HA 0.176 4.526 4.350 -0.000 0.000 0.206 272 E C 0.197 176.803 176.600 0.011 0.000 1.005 272 E CA 0.076 56.297 56.400 -0.297 0.000 0.951 272 E CB 0.688 30.204 29.700 -0.307 0.000 1.035 272 E HN 0.457 nan 8.360 nan 0.000 0.470 273 E N 0.753 121.048 120.200 0.159 0.000 2.222 273 E HA 0.516 4.866 4.350 -0.000 0.000 0.267 273 E C -0.296 176.479 176.600 0.292 0.000 0.963 273 E CA -0.628 55.899 56.400 0.212 0.000 0.837 273 E CB 1.678 31.469 29.700 0.152 0.000 1.183 273 E HN -0.183 nan 8.360 nan 0.000 0.403 274 R N 1.938 122.599 120.500 0.268 0.000 2.507 274 R HA 0.380 4.720 4.340 -0.000 0.000 0.298 274 R C -1.646 174.820 176.300 0.276 0.000 1.087 274 R CA -0.492 55.742 56.100 0.224 0.000 0.917 274 R CB 0.918 31.309 30.300 0.152 0.000 1.173 274 R HN 0.386 nan 8.270 nan 0.000 0.472 275 F N 2.159 122.149 119.950 0.066 0.000 2.588 275 F HA 0.472 4.999 4.527 -0.000 0.000 0.314 275 F C -1.627 174.132 175.800 -0.069 0.000 1.134 275 F CA -0.692 57.322 58.000 0.023 0.000 0.961 275 F CB 2.021 41.095 39.000 0.124 0.000 1.239 275 F HN 0.351 nan 8.300 nan 0.000 0.448 276 N N 4.708 122.743 118.700 -1.109 0.000 2.296 276 N HA 0.588 5.328 4.740 -0.000 0.000 0.294 276 N C -2.027 172.458 175.510 -1.708 0.000 1.033 276 N CA -0.632 51.716 53.050 -1.171 0.000 0.839 276 N CB 2.312 40.292 38.487 -0.845 0.000 1.395 276 N HN 0.590 nan 8.380 nan 0.000 0.479 277 L N 2.520 122.957 121.223 -1.312 0.000 2.307 277 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 277 L C -1.671 174.651 176.870 -0.914 0.000 1.023 277 L CA -0.305 54.002 54.840 -0.888 0.000 0.810 277 L CB 0.250 42.151 42.059 -0.263 0.000 1.231 277 L HN 0.452 nan 8.230 nan 0.000 0.423 278 F N 6.191 125.921 119.950 -0.367 0.000 2.434 278 F HA 0.559 5.086 4.527 -0.000 0.000 0.367 278 F C -2.185 173.586 175.800 -0.049 0.000 1.093 278 F CA -2.023 55.864 58.000 -0.187 0.000 1.085 278 F CB 0.837 39.726 39.000 -0.185 0.000 1.322 278 F HN 0.411 nan 8.300 nan 0.000 0.452 279 P HA 0.368 nan 4.420 nan 0.000 0.278 279 P C -0.070 177.297 177.300 0.112 0.000 1.266 279 P CA -0.220 62.933 63.100 0.089 0.000 0.807 279 P CB 1.092 32.822 31.700 0.049 0.000 1.094 280 A N -1.228 121.638 122.820 0.077 0.000 2.822 280 A HA -0.095 4.225 4.320 -0.000 0.000 0.287 280 A C -0.094 177.522 177.584 0.054 0.000 1.479 280 A CA 0.698 52.770 52.037 0.058 0.000 0.779 280 A CB -2.425 16.607 19.000 0.054 0.000 1.022 280 A HN 0.247 nan 8.150 nan 0.000 0.532 281 V N -0.261 119.702 119.914 0.080 0.000 2.443 281 V HA 0.684 4.804 4.120 -0.000 0.000 0.293 281 V C 0.586 176.691 176.094 0.017 0.000 1.021 281 V CA -0.337 62.006 62.300 0.072 0.000 0.848 281 V CB 1.559 33.509 31.823 0.213 0.000 0.998 281 V HN 1.495 nan 8.190 nan 0.000 0.424 282 A N 4.121 126.925 122.820 -0.027 0.000 2.362 282 A HA 0.516 4.836 4.320 -0.000 0.000 0.276 282 A C 0.032 177.598 177.584 -0.030 0.000 1.153 282 A CA -0.155 51.856 52.037 -0.044 0.000 0.813 282 A CB 0.120 19.128 19.000 0.013 0.000 1.081 282 A HN 0.860 nan 8.150 nan 0.000 0.507 283 C N 2.390 121.651 119.300 -0.064 0.000 2.330 283 C HA 0.438 4.898 4.460 -0.000 0.000 0.344 283 C C 1.321 176.282 174.990 -0.049 0.000 1.273 283 C CA -0.275 58.699 59.018 -0.074 0.000 1.879 283 C CB 0.113 27.808 27.740 -0.074 0.000 2.376 283 C HN 1.038 nan 8.230 nan 0.000 0.534 284 E N 0.784 120.970 120.200 -0.023 0.000 2.332 284 E HA 0.152 4.502 4.350 -0.000 0.000 0.202 284 E C 0.050 176.625 176.600 -0.043 0.000 0.877 284 E CA 0.332 56.720 56.400 -0.019 0.000 0.979 284 E CB 0.558 30.266 29.700 0.014 0.000 0.969 284 E HN 0.637 nan 8.360 nan 0.000 0.495 285 R N 0.629 121.109 120.500 -0.034 0.000 2.629 285 R HA 0.335 4.675 4.340 -0.000 0.000 0.266 285 R C -0.934 175.328 176.300 -0.063 0.000 1.051 285 R CA -0.566 55.490 56.100 -0.073 0.000 0.895 285 R CB 1.931 32.144 30.300 -0.145 0.000 1.246 285 R HN -0.102 nan 8.270 nan 0.000 0.459 286 V N -0.932 118.930 119.914 -0.086 0.000 2.547 286 V HA 0.643 4.763 4.120 -0.000 0.000 0.299 286 V C 0.105 176.129 176.094 -0.116 0.000 1.040 286 V CA -0.893 61.330 62.300 -0.127 0.000 0.913 286 V CB 1.847 33.554 31.823 -0.195 0.000 0.992 286 V HN 0.437 nan 8.190 nan 0.000 0.449 287 V N 4.724 124.563 119.914 -0.125 0.000 2.394 287 V HA 0.487 4.607 4.120 -0.000 0.000 0.282 287 V C 0.484 176.550 176.094 -0.047 0.000 1.031 287 V CA -0.533 61.712 62.300 -0.092 0.000 0.881 287 V CB 1.153 32.950 31.823 -0.042 0.000 0.982 287 V HN 0.927 nan 8.190 nan 0.000 0.451 288 R N 3.732 124.223 120.500 -0.015 0.000 2.410 288 R HA 0.329 4.669 4.340 -0.000 0.000 0.288 288 R C 0.237 176.577 176.300 0.067 0.000 1.051 288 R CA -0.624 55.537 56.100 0.102 0.000 1.021 288 R CB 0.773 31.112 30.300 0.066 0.000 1.032 288 R HN 0.870 nan 8.270 nan 0.000 0.481 289 N N 1.662 120.419 118.700 0.094 0.000 2.317 289 N HA -0.009 4.731 4.740 -0.000 0.000 0.245 289 N C 0.603 176.115 175.510 0.003 0.000 1.294 289 N CA 0.138 53.209 53.050 0.035 0.000 0.924 289 N CB 0.401 38.906 38.487 0.030 0.000 1.186 289 N HN 0.555 nan 8.380 nan 0.000 0.495 290 A N 0.198 123.012 122.820 -0.010 0.000 1.933 290 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 290 A C 2.174 179.733 177.584 -0.041 0.000 1.175 290 A CA 0.978 53.002 52.037 -0.023 0.000 0.628 290 A CB -0.824 18.166 19.000 -0.018 0.000 0.814 290 A HN 0.629 nan 8.150 nan 0.000 0.444 291 L N -0.488 120.702 121.223 -0.056 0.000 2.599 291 L HA 0.004 4.344 4.340 -0.000 0.000 0.230 291 L C -0.013 176.765 176.870 -0.154 0.000 1.141 291 L CA -0.096 54.693 54.840 -0.085 0.000 0.877 291 L CB -0.460 41.552 42.059 -0.079 0.000 1.009 291 L HN 0.388 nan 8.230 nan 0.000 0.447 292 N N 0.096 118.695 118.700 -0.169 0.000 2.725 292 N HA -0.188 4.552 4.740 -0.000 0.000 0.251 292 N C 0.958 175.901 175.510 -0.944 0.000 1.031 292 N CA 1.067 53.918 53.050 -0.331 0.000 0.720 292 N CB -1.116 37.295 38.487 -0.126 0.000 0.930 292 N HN 0.549 nan 8.380 nan 0.000 0.543 293 S N -2.125 113.161 115.700 -0.690 0.000 2.559 293 S HA 0.249 4.719 4.470 -0.000 0.000 0.226 293 S C 0.330 174.686 174.600 -0.406 0.000 1.030 293 S CA -0.178 57.650 58.200 -0.620 0.000 0.956 293 S CB 1.562 64.612 63.200 -0.250 0.000 0.900 293 S HN 0.395 nan 8.310 nan 0.000 0.510 294 E N 0.215 120.318 120.200 -0.162 0.000 2.372 294 E HA 0.440 4.790 4.350 -0.000 0.000 0.279 294 E C -1.632 175.185 176.600 0.361 0.000 0.946 294 E CA -0.872 55.653 56.400 0.207 0.000 0.769 294 E CB 1.383 31.162 29.700 0.132 0.000 1.230 294 E HN 0.083 nan 8.360 nan 0.000 0.442 295 I N 3.445 124.188 120.570 0.288 0.000 2.428 295 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 295 I C 0.976 177.062 176.117 -0.052 0.000 1.019 295 I CA 0.158 61.452 61.300 -0.010 0.000 1.351 295 I CB 1.243 38.997 38.000 -0.410 0.000 1.412 295 I HN 0.696 nan 8.210 nan 0.000 0.513 296 E N 3.318 123.480 120.200 -0.064 0.000 2.307 296 E HA 0.076 4.425 4.350 -0.000 0.000 0.195 296 E C 0.314 176.963 176.600 0.082 0.000 0.975 296 E CA 0.429 56.858 56.400 0.049 0.000 0.878 296 E CB 0.583 30.321 29.700 0.063 0.000 0.845 296 E HN 0.738 nan 8.360 nan 0.000 0.488 297 S N -0.350 115.321 115.700 -0.049 0.000 2.655 297 S HA 0.522 4.992 4.470 -0.000 0.000 0.266 297 S C -1.490 173.115 174.600 0.008 0.000 1.149 297 S CA -1.058 57.203 58.200 0.102 0.000 0.818 297 S CB 1.430 64.723 63.200 0.156 0.000 1.130 297 S HN 0.025 nan 8.310 nan 0.000 0.476 298 L N 1.660 122.990 121.223 0.178 0.000 2.349 298 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 298 L C -1.016 175.914 176.870 0.101 0.000 0.996 298 L CA -0.176 54.736 54.840 0.120 0.000 0.825 298 L CB 1.219 43.380 42.059 0.170 0.000 1.243 298 L HN 0.895 nan 8.230 nan 0.000 0.412 299 H N 6.398 125.432 119.070 -0.061 0.000 2.562 299 H HA 0.494 5.050 4.556 -0.000 0.000 0.314 299 H C -0.384 174.894 175.328 -0.083 0.000 1.079 299 H CA -0.293 55.722 56.048 -0.055 0.000 1.349 299 H CB 1.412 31.144 29.762 -0.049 0.000 1.432 299 H HN 0.704 nan 8.280 nan 0.000 0.479 300 I N 0.096 120.645 120.570 -0.036 0.000 2.846 300 I HA 0.396 4.566 4.170 -0.000 0.000 0.307 300 I C -0.780 175.382 176.117 0.075 0.000 1.053 300 I CA -0.942 60.322 61.300 -0.059 0.000 1.050 300 I CB 3.054 40.892 38.000 -0.271 0.000 1.239 300 I HN 0.561 nan 8.210 nan 0.000 0.439 301 H N 3.475 122.528 119.070 -0.029 0.000 2.727 301 H HA 0.228 4.784 4.556 -0.000 0.000 0.330 301 H C -1.505 173.847 175.328 0.040 0.000 0.986 301 H CA -0.676 55.370 56.048 -0.004 0.000 1.251 301 H CB 1.553 31.318 29.762 0.005 0.000 1.493 301 H HN 0.784 nan 8.280 nan 0.000 0.515 302 D N 5.750 126.156 120.400 0.010 0.000 2.325 302 D HA 0.009 4.649 4.640 -0.000 0.000 0.251 302 D C 1.032 177.171 176.300 -0.269 0.000 1.196 302 D CA -0.166 53.811 54.000 -0.038 0.000 0.866 302 D CB 1.085 41.969 40.800 0.140 0.000 1.101 302 D HN 0.678 nan 8.370 nan 0.000 0.476 303 L N 4.133 125.201 121.223 -0.259 0.000 2.313 303 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 303 L C 2.005 178.813 176.870 -0.103 0.000 1.119 303 L CA 0.176 54.850 54.840 -0.277 0.000 0.809 303 L CB -0.061 41.939 42.059 -0.098 0.000 0.933 303 L HN 0.522 nan 8.230 nan 0.000 0.449 304 I N -0.375 120.174 120.570 -0.035 0.000 2.333 304 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 304 I C 2.683 178.811 176.117 0.017 0.000 1.106 304 I CA 1.683 62.986 61.300 0.006 0.000 1.411 304 I CB -1.168 36.850 38.000 0.030 0.000 1.082 304 I HN 0.295 nan 8.210 nan 0.000 0.420 305 S N -0.011 115.707 115.700 0.030 0.000 2.486 305 S HA 0.204 4.674 4.470 -0.000 0.000 0.220 305 S C 1.803 176.431 174.600 0.047 0.000 1.011 305 S CA 0.656 58.884 58.200 0.046 0.000 0.921 305 S CB 0.323 63.569 63.200 0.077 0.000 0.785 305 S HN 0.549 nan 8.310 nan 0.000 0.517 306 G N 1.107 109.940 108.800 0.055 0.000 2.175 306 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.244 306 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.244 306 G C -0.431 174.559 174.900 0.150 0.000 0.982 306 G CA 0.103 45.302 45.100 0.166 0.000 0.641 306 G HN 0.556 nan 8.290 nan 0.000 0.527 307 D N 0.515 120.935 120.400 0.034 0.000 2.382 307 D HA 0.551 5.191 4.640 -0.000 0.000 0.240 307 D C 0.988 177.125 176.300 -0.271 0.000 1.146 307 D CA 0.285 54.168 54.000 -0.196 0.000 0.897 307 D CB 0.522 41.127 40.800 -0.325 0.000 1.197 307 D HN 0.457 nan 8.370 nan 0.000 0.432 308 R N 0.752 120.930 120.500 -0.537 0.000 2.670 308 R HA 0.636 4.976 4.340 -0.000 0.000 0.289 308 R C -0.875 174.991 176.300 -0.723 0.000 0.965 308 R CA -0.686 55.163 56.100 -0.419 0.000 0.899 308 R CB 1.364 31.531 30.300 -0.221 0.000 1.173 308 R HN 0.269 nan 8.270 nan 0.000 0.456 309 F N -0.015 119.858 119.950 -0.128 0.000 2.613 309 F HA 0.285 4.811 4.527 -0.000 0.000 0.310 309 F C -0.227 175.384 175.800 -0.315 0.000 1.085 309 F CA -0.989 56.900 58.000 -0.184 0.000 0.945 309 F CB 2.051 40.960 39.000 -0.153 0.000 1.298 309 F HN 0.423 nan 8.300 nan 0.000 0.455 310 E N 2.926 123.052 120.200 -0.124 0.000 2.113 310 E HA 0.482 4.832 4.350 -0.000 0.000 0.273 310 E C -1.516 175.058 176.600 -0.042 0.000 0.924 310 E CA -0.516 55.722 56.400 -0.271 0.000 0.764 310 E CB 0.854 30.335 29.700 -0.365 0.000 1.104 310 E HN 0.426 nan 8.360 nan 0.000 0.406 311 I N 4.139 124.707 120.570 -0.003 0.000 2.359 311 I HA 0.293 4.463 4.170 -0.000 0.000 0.294 311 I C 0.214 176.448 176.117 0.194 0.000 0.987 311 I CA -0.689 60.660 61.300 0.083 0.000 1.225 311 I CB 1.290 39.320 38.000 0.049 0.000 1.366 311 I HN 0.590 nan 8.210 nan 0.000 0.466 312 K N 4.556 125.069 120.400 0.189 0.000 2.138 312 K HA 0.850 5.169 4.320 -0.000 0.000 0.263 312 K C -0.675 176.013 176.600 0.148 0.000 0.965 312 K CA -0.569 55.850 56.287 0.220 0.000 0.868 312 K CB 2.582 35.169 32.500 0.144 0.000 1.083 312 K HN 0.777 nan 8.250 nan 0.000 0.443 313 A N 1.630 124.463 122.820 0.022 0.000 2.609 313 A HA 0.303 4.623 4.320 -0.000 0.000 0.291 313 A C -0.447 177.028 177.584 -0.182 0.000 1.096 313 A CA -0.688 51.227 52.037 -0.203 0.000 0.684 313 A CB 1.092 19.720 19.000 -0.620 0.000 1.282 313 A HN 0.688 nan 8.150 nan 0.000 0.412 314 D N -0.428 119.907 120.400 -0.107 0.000 2.183 314 D HA 0.099 4.739 4.640 -0.000 0.000 0.203 314 D C 0.332 176.544 176.300 -0.146 0.000 0.969 314 D CA 1.675 55.674 54.000 -0.001 0.000 0.842 314 D CB 0.215 41.077 40.800 0.104 0.000 0.957 314 D HN 0.226 nan 8.370 nan 0.000 0.484 315 V N 0.708 120.390 119.914 -0.387 0.000 2.638 315 V HA 0.270 4.390 4.120 -0.000 0.000 0.306 315 V C -1.256 174.564 176.094 -0.456 0.000 1.052 315 V CA -0.880 61.188 62.300 -0.387 0.000 0.885 315 V CB 1.845 33.328 31.823 -0.568 0.000 0.999 315 V HN -0.073 nan 8.190 nan 0.000 0.424 316 Y N 2.945 123.230 120.300 -0.025 0.000 2.328 316 Y HA 0.699 5.249 4.550 -0.000 0.000 0.336 316 Y C -0.099 175.763 175.900 -0.062 0.000 0.960 316 Y CA -0.929 57.147 58.100 -0.039 0.000 1.134 316 Y CB 2.087 40.528 38.460 -0.032 0.000 1.166 316 Y HN 0.351 nan 8.280 nan 0.000 0.464 317 V N 5.502 125.378 119.914 -0.062 0.000 2.444 317 V HA 0.406 4.526 4.120 -0.000 0.000 0.294 317 V C -0.474 175.487 176.094 -0.222 0.000 1.022 317 V CA -0.944 61.209 62.300 -0.245 0.000 0.850 317 V CB 1.710 33.180 31.823 -0.589 0.000 0.992 317 V HN 0.591 nan 8.190 nan 0.000 0.426 318 L N 5.051 126.143 121.223 -0.218 0.000 2.280 318 L HA 0.598 4.937 4.340 -0.000 0.000 0.287 318 L C 0.357 177.130 176.870 -0.163 0.000 1.023 318 L CA -0.175 54.560 54.840 -0.174 0.000 0.819 318 L CB 1.658 43.598 42.059 -0.198 0.000 1.212 318 L HN 0.830 nan 8.230 nan 0.000 0.420 319 T N -1.574 112.923 114.554 -0.096 0.000 3.741 319 T HA 0.355 4.705 4.350 -0.000 0.000 0.242 319 T C 0.562 175.276 174.700 0.024 0.000 1.042 319 T CA -0.107 61.980 62.100 -0.021 0.000 1.278 319 T CB 0.952 69.811 68.868 -0.016 0.000 0.994 319 T HN 0.538 nan 8.240 nan 0.000 0.594 320 A N 0.785 123.628 122.820 0.037 0.000 2.379 320 A HA 0.778 5.098 4.320 -0.000 0.000 0.236 320 A C 1.380 179.046 177.584 0.136 0.000 1.272 320 A CA 0.081 52.163 52.037 0.074 0.000 0.886 320 A CB -0.768 18.270 19.000 0.062 0.000 0.962 320 A HN 1.755 nan 8.150 nan 0.000 0.504 321 G N -2.470 106.407 108.800 0.128 0.000 2.699 321 G HA2 0.254 4.214 3.960 -0.000 0.000 0.686 321 G HA3 0.254 4.214 3.960 -0.000 0.000 0.686 321 G C 0.746 175.747 174.900 0.169 0.000 1.301 321 G CA -0.333 44.850 45.100 0.138 0.000 0.816 321 G HN 1.306 nan 8.290 nan 0.000 0.595 322 A N -0.366 122.540 122.820 0.142 0.000 2.019 322 A HA 0.227 4.547 4.320 -0.000 0.000 0.219 322 A C 2.581 180.256 177.584 0.151 0.000 1.164 322 A CA 3.104 55.224 52.037 0.138 0.000 0.644 322 A CB -0.239 18.812 19.000 0.084 0.000 0.805 322 A HN 1.565 nan 8.150 nan 0.000 0.449 323 V N -1.230 118.728 119.914 0.073 0.000 2.379 323 V HA -0.156 3.964 4.120 -0.000 0.000 0.243 323 V C 2.156 178.279 176.094 0.047 0.000 1.035 323 V CA 1.990 64.307 62.300 0.029 0.000 1.035 323 V CB -0.944 30.780 31.823 -0.164 0.000 0.673 323 V HN 0.733 nan 8.190 nan 0.000 0.457 324 H N -0.284 118.865 119.070 0.132 0.000 2.470 324 H HA -0.009 4.547 4.556 -0.000 0.000 0.289 324 H C 2.263 177.588 175.328 -0.005 0.000 1.033 324 H CA 0.868 56.947 56.048 0.052 0.000 1.331 324 H CB 0.139 29.913 29.762 0.019 0.000 1.414 324 H HN 0.314 nan 8.280 nan 0.000 0.545 325 N N 0.072 118.851 118.700 0.130 0.000 2.043 325 N HA -0.133 4.606 4.740 -0.000 0.000 0.193 325 N C 1.814 177.300 175.510 -0.041 0.000 1.037 325 N CA 1.899 54.952 53.050 0.006 0.000 0.851 325 N CB -0.595 37.871 38.487 -0.036 0.000 1.027 325 N HN 0.312 nan 8.380 nan 0.000 0.422 326 T N 1.024 115.630 114.554 0.087 0.000 2.684 326 T HA -0.198 4.151 4.350 -0.000 0.000 0.267 326 T C 1.842 176.381 174.700 -0.269 0.000 1.036 326 T CA 1.285 63.431 62.100 0.076 0.000 1.148 326 T CB -0.286 68.782 68.868 0.334 0.000 0.863 326 T HN 0.376 nan 8.240 nan 0.000 0.436 327 Q N 0.403 119.907 119.800 -0.493 0.000 2.096 327 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 327 Q C 2.353 178.070 176.000 -0.473 0.000 0.982 327 Q CA 1.211 56.415 55.803 -0.997 0.000 0.850 327 Q CB -0.315 28.149 28.738 -0.456 0.000 0.901 327 Q HN 0.518 nan 8.270 nan 0.000 0.422 328 L N 0.297 121.380 121.223 -0.234 0.000 2.046 328 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 328 L C 2.269 179.048 176.870 -0.152 0.000 1.077 328 L CA 0.959 55.702 54.840 -0.162 0.000 0.747 328 L CB -0.121 41.866 42.059 -0.120 0.000 0.896 328 L HN 0.334 nan 8.230 nan 0.000 0.432 329 L N -1.421 119.696 121.223 -0.177 0.000 2.056 329 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 329 L C 2.390 179.285 176.870 0.042 0.000 1.078 329 L CA 0.818 55.590 54.840 -0.113 0.000 0.749 329 L CB -0.444 41.458 42.059 -0.261 0.000 0.901 329 L HN 0.094 nan 8.230 nan 0.000 0.433 330 V N -0.211 119.655 119.914 -0.081 0.000 2.548 330 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 330 V C 2.023 178.094 176.094 -0.037 0.000 1.055 330 V CA 1.721 64.007 62.300 -0.023 0.000 1.065 330 V CB -0.641 31.141 31.823 -0.068 0.000 0.681 330 V HN 0.475 nan 8.190 nan 0.000 0.462 331 N N 0.045 118.681 118.700 -0.107 0.000 2.512 331 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 331 N C 1.446 176.923 175.510 -0.054 0.000 1.073 331 N CA 0.996 54.000 53.050 -0.076 0.000 0.911 331 N CB 0.019 38.447 38.487 -0.099 0.000 0.964 331 N HN 0.374 nan 8.380 nan 0.000 0.447 332 S N -1.459 114.233 115.700 -0.014 0.000 2.554 332 S HA 0.339 4.809 4.470 -0.000 0.000 0.226 332 S C 0.951 175.514 174.600 -0.062 0.000 0.980 332 S CA 0.147 58.341 58.200 -0.010 0.000 0.939 332 S CB 0.644 63.890 63.200 0.077 0.000 0.832 332 S HN 0.500 nan 8.310 nan 0.000 0.486 333 G N 1.260 110.029 108.800 -0.052 0.000 2.131 333 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.223 333 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.223 333 G C -0.113 174.658 174.900 -0.215 0.000 0.990 333 G CA -0.493 44.527 45.100 -0.133 0.000 0.671 333 G HN 0.424 nan 8.290 nan 0.000 0.521 334 F N 0.673 120.591 119.950 -0.053 0.000 2.377 334 F HA 0.574 5.101 4.527 -0.000 0.000 0.328 334 F C 1.526 177.333 175.800 0.012 0.000 1.094 334 F CA 0.831 58.813 58.000 -0.029 0.000 1.093 334 F CB 1.161 40.114 39.000 -0.079 0.000 1.214 334 F HN 0.785 nan 8.300 nan 0.000 0.518 335 G N 1.893 110.828 108.800 0.225 0.000 2.552 335 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.265 335 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.265 335 G C -0.852 174.120 174.900 0.120 0.000 1.234 335 G CA -0.095 45.108 45.100 0.173 0.000 0.944 335 G HN 0.835 nan 8.290 nan 0.000 0.568 336 Q N -1.016 118.861 119.800 0.127 0.000 2.274 336 Q HA 0.611 4.951 4.340 -0.000 0.000 0.268 336 Q C -0.749 175.330 176.000 0.132 0.000 1.015 336 Q CA -0.966 54.891 55.803 0.090 0.000 0.775 336 Q CB 1.624 30.395 28.738 0.055 0.000 1.256 336 Q HN 0.952 nan 8.270 nan 0.000 0.442 337 L N 3.942 125.234 121.223 0.114 0.000 2.416 337 L HA 0.726 5.066 4.340 -0.000 0.000 0.272 337 L C 0.296 177.245 176.870 0.130 0.000 1.161 337 L CA 1.905 56.838 54.840 0.155 0.000 0.845 337 L CB 0.768 42.893 42.059 0.111 0.000 1.119 337 L HN 0.826 nan 8.230 nan 0.000 0.464 338 G N 3.681 112.611 108.800 0.216 0.000 2.592 338 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.684 338 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.684 338 G C -0.693 174.087 174.900 -0.201 0.000 1.291 338 G CA -0.345 44.829 45.100 0.123 0.000 0.891 338 G HN 0.924 nan 8.290 nan 0.000 0.544 339 R N 0.646 120.813 120.500 -0.556 0.000 2.570 339 R HA 0.365 4.705 4.340 -0.000 0.000 0.277 339 R C -1.963 173.898 176.300 -0.731 0.000 1.039 339 R CA -0.534 54.807 56.100 -1.264 0.000 1.065 339 R CB 0.012 29.848 30.300 -0.773 0.000 0.964 339 R HN 0.330 nan 8.270 nan 0.000 0.428 340 P HA 0.019 nan 4.420 nan 0.000 0.268 340 P C -1.332 175.808 177.300 -0.266 0.000 1.204 340 P CA 0.272 63.130 63.100 -0.403 0.000 0.768 340 P CB 0.451 31.932 31.700 -0.365 0.000 0.842 341 N N 3.026 121.628 118.700 -0.163 0.000 2.685 341 N HA 0.173 4.913 4.740 -0.000 0.000 0.252 341 N C -1.842 173.623 175.510 -0.075 0.000 1.261 341 N CA -1.549 51.431 53.050 -0.117 0.000 0.768 341 N CB 1.053 39.479 38.487 -0.103 0.000 1.304 341 N HN 0.158 nan 8.380 nan 0.000 0.536 342 P HA -0.079 nan 4.420 nan 0.000 0.222 342 P C 0.720 178.002 177.300 -0.030 0.000 1.147 342 P CA 0.641 63.716 63.100 -0.041 0.000 0.790 342 P CB 0.206 31.881 31.700 -0.041 0.000 0.780 343 A N -0.272 122.528 122.820 -0.034 0.000 2.236 343 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 343 A C 0.838 178.409 177.584 -0.022 0.000 1.287 343 A CA 0.261 52.283 52.037 -0.025 0.000 0.909 343 A CB -1.389 17.595 19.000 -0.027 0.000 0.839 343 A HN 0.280 nan 8.150 nan 0.000 0.486 344 N N 0.494 119.181 118.700 -0.022 0.000 2.605 344 N HA 0.116 4.856 4.740 -0.000 0.000 0.265 344 N C -3.069 172.435 175.510 -0.009 0.000 1.625 344 N CA -0.878 52.162 53.050 -0.017 0.000 0.862 344 N CB 0.954 39.427 38.487 -0.023 0.000 1.415 344 N HN 0.071 nan 8.380 nan 0.000 0.513 345 P HA -0.077 nan 4.420 nan 0.000 0.261 345 P C -2.402 174.906 177.300 0.013 0.000 1.140 345 P CA -0.119 62.986 63.100 0.009 0.000 0.757 345 P CB -0.222 31.484 31.700 0.010 0.000 0.735 346 P HA 0.048 nan 4.420 nan 0.000 0.272 346 P C 0.903 178.220 177.300 0.028 0.000 1.230 346 P CA -0.136 62.983 63.100 0.030 0.000 0.788 346 P CB 0.828 32.561 31.700 0.056 0.000 0.949 347 E N 1.362 121.570 120.200 0.014 0.000 2.152 347 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 347 E C -0.000 176.619 176.600 0.032 0.000 0.983 347 E CA 0.790 57.195 56.400 0.009 0.000 0.818 347 E CB -0.053 29.639 29.700 -0.014 0.000 0.758 347 E HN 0.344 nan 8.360 nan 0.000 0.467 348 L N 1.038 122.290 121.223 0.049 0.000 2.401 348 L HA 0.339 4.679 4.340 -0.000 0.000 0.266 348 L C -0.418 176.563 176.870 0.186 0.000 0.991 348 L CA -1.241 53.666 54.840 0.112 0.000 0.818 348 L CB 2.075 44.154 42.059 0.033 0.000 1.321 348 L HN 0.141 nan 8.230 nan 0.000 0.413 349 L N 3.162 124.525 121.223 0.233 0.000 3.823 349 L HA -0.190 4.150 4.340 -0.000 0.000 0.525 349 L C -1.420 175.561 176.870 0.184 0.000 1.247 349 L CA -0.502 54.479 54.840 0.235 0.000 0.776 349 L CB -0.880 41.350 42.059 0.285 0.000 1.443 349 L HN 0.577 nan 8.230 nan 0.000 0.831 350 P HA -0.160 nan 4.420 nan 0.000 0.217 350 P C 1.294 178.690 177.300 0.161 0.000 1.148 350 P CA 1.331 64.507 63.100 0.127 0.000 0.828 350 P CB 0.263 32.020 31.700 0.096 0.000 0.783 351 S N -0.768 115.048 115.700 0.192 0.000 2.593 351 S HA 0.058 4.528 4.470 -0.000 0.000 0.217 351 S C 0.839 175.598 174.600 0.265 0.000 0.966 351 S CA -0.405 57.955 58.200 0.265 0.000 0.914 351 S CB -0.729 62.623 63.200 0.253 0.000 0.776 351 S HN 0.055 nan 8.310 nan 0.000 0.523 352 L N 2.362 123.719 121.223 0.223 0.000 2.513 352 L HA 0.407 4.747 4.340 -0.000 0.000 0.272 352 L C 1.147 178.161 176.870 0.240 0.000 1.187 352 L CA 1.048 56.023 54.840 0.225 0.000 0.895 352 L CB -0.381 41.798 42.059 0.199 0.000 1.147 352 L HN 0.327 nan 8.230 nan 0.000 0.483 353 G N 2.437 111.390 108.800 0.256 0.000 2.162 353 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 353 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 353 G C 0.431 175.460 174.900 0.216 0.000 0.976 353 G CA 0.375 45.627 45.100 0.252 0.000 0.655 353 G HN 0.814 nan 8.290 nan 0.000 0.533 354 S N -1.540 114.292 115.700 0.220 0.000 2.718 354 S HA 0.662 5.132 4.470 -0.000 0.000 0.300 354 S C 0.368 175.114 174.600 0.244 0.000 1.117 354 S CA 0.121 58.393 58.200 0.120 0.000 1.002 354 S CB 0.885 64.085 63.200 0.001 0.000 1.092 354 S HN 0.933 nan 8.310 nan 0.000 0.542 355 Y N -1.079 119.293 120.300 0.120 0.000 4.366 355 Y HA -0.187 4.362 4.550 -0.000 0.000 0.236 355 Y C 0.415 176.400 175.900 0.142 0.000 1.142 355 Y CA 0.125 58.294 58.100 0.115 0.000 2.024 355 Y CB -2.203 36.320 38.460 0.105 0.000 1.621 355 Y HN 0.617 nan 8.280 nan 0.000 0.694 356 I N -0.055 120.664 120.570 0.249 0.000 2.634 356 I HA 0.510 4.680 4.170 -0.000 0.000 0.284 356 I C 0.633 176.918 176.117 0.280 0.000 1.124 356 I CA 0.385 61.835 61.300 0.250 0.000 1.417 356 I CB 1.353 39.498 38.000 0.243 0.000 1.396 356 I HN 0.208 nan 8.210 nan 0.000 0.571 357 T N 1.907 116.586 114.554 0.208 0.000 2.841 357 T HA 0.660 5.010 4.350 -0.000 0.000 0.283 357 T C -0.649 174.076 174.700 0.042 0.000 1.000 357 T CA -0.674 61.534 62.100 0.180 0.000 0.977 357 T CB 1.961 70.893 68.868 0.107 0.000 0.979 357 T HN 0.817 nan 8.240 nan 0.000 0.446 358 E N 1.736 121.931 120.200 -0.008 0.000 2.292 358 E HA 0.344 4.694 4.350 -0.000 0.000 0.272 358 E C -0.956 175.751 176.600 0.179 0.000 0.881 358 E CA -0.557 55.799 56.400 -0.073 0.000 0.754 358 E CB 1.942 31.394 29.700 -0.412 0.000 1.201 358 E HN 0.705 nan 8.360 nan 0.000 0.425 359 Q N 1.335 121.237 119.800 0.169 0.000 2.352 359 Q HA 0.352 4.692 4.340 -0.000 0.000 0.260 359 Q C -0.387 175.772 176.000 0.266 0.000 0.976 359 Q CA -0.084 55.861 55.803 0.236 0.000 0.881 359 Q CB 1.086 29.992 28.738 0.279 0.000 1.235 359 Q HN 0.451 nan 8.270 nan 0.000 0.419 360 S N 1.636 117.416 115.700 0.134 0.000 2.564 360 S HA 0.321 4.791 4.470 -0.000 0.000 0.278 360 S C -0.708 173.901 174.600 0.015 0.000 1.333 360 S CA -0.472 57.674 58.200 -0.090 0.000 1.048 360 S CB 0.373 63.423 63.200 -0.251 0.000 0.900 360 S HN 0.372 nan 8.310 nan 0.000 0.505 361 L N 5.056 126.255 121.223 -0.042 0.000 2.406 361 L HA 0.687 5.027 4.340 -0.000 0.000 0.272 361 L C -0.786 175.892 176.870 -0.320 0.000 0.980 361 L CA -0.659 54.046 54.840 -0.226 0.000 0.831 361 L CB 1.540 43.420 42.059 -0.298 0.000 1.253 361 L HN 0.449 nan 8.230 nan 0.000 0.406 362 V N 2.173 121.827 119.914 -0.433 0.000 2.667 362 V HA 0.759 4.878 4.120 -0.000 0.000 0.308 362 V C -0.966 174.947 176.094 -0.301 0.000 1.048 362 V CA -0.606 61.355 62.300 -0.564 0.000 0.928 362 V CB 1.634 32.951 31.823 -0.843 0.000 1.004 362 V HN 0.787 nan 8.190 nan 0.000 0.444 363 F N 4.807 124.499 119.950 -0.430 0.000 2.601 363 F HA 0.884 5.411 4.527 -0.000 0.000 0.309 363 F C -0.385 175.281 175.800 -0.224 0.000 1.089 363 F CA -0.375 57.473 58.000 -0.253 0.000 0.940 363 F CB 1.518 40.401 39.000 -0.197 0.000 1.273 363 F HN 1.221 nan 8.300 nan 0.000 0.450 364 C N 2.795 121.508 119.300 -0.979 0.000 3.320 364 C HA 0.801 5.261 4.460 -0.000 0.000 0.335 364 C C -1.785 172.739 174.990 -0.777 0.000 1.430 364 C CA -0.682 57.744 59.018 -0.988 0.000 1.271 364 C CB 1.698 29.084 27.740 -0.591 0.000 1.609 364 C HN 0.953 nan 8.230 nan 0.000 0.457 365 Q N 0.619 120.170 119.800 -0.415 0.000 2.387 365 Q HA 0.756 5.096 4.340 -0.000 0.000 0.273 365 Q C -0.525 175.539 176.000 0.107 0.000 1.089 365 Q CA -0.250 55.544 55.803 -0.014 0.000 0.824 365 Q CB 2.734 31.467 28.738 -0.009 0.000 1.367 365 Q HN 0.940 nan 8.270 nan 0.000 0.443 366 T N -2.569 112.120 114.554 0.226 0.000 2.930 366 T HA 0.702 5.052 4.350 -0.000 0.000 0.290 366 T C -0.479 174.292 174.700 0.120 0.000 1.052 366 T CA -0.719 61.471 62.100 0.150 0.000 1.017 366 T CB 1.261 70.225 68.868 0.160 0.000 1.137 366 T HN 0.261 nan 8.240 nan 0.000 0.511 367 V N 2.413 122.361 119.914 0.057 0.000 2.357 367 V HA 0.394 4.514 4.120 -0.000 0.000 0.284 367 V C 0.232 176.345 176.094 0.031 0.000 1.018 367 V CA -0.914 61.412 62.300 0.043 0.000 0.841 367 V CB 1.086 32.923 31.823 0.023 0.000 0.991 367 V HN 0.994 nan 8.190 nan 0.000 0.437 368 M N 4.706 124.334 119.600 0.047 0.000 2.248 368 M HA 0.077 4.557 4.480 -0.000 0.000 0.343 368 M C 0.922 177.233 176.300 0.018 0.000 1.243 368 M CA 0.743 56.068 55.300 0.043 0.000 1.025 368 M CB 0.576 33.201 32.600 0.041 0.000 1.759 368 M HN 0.942 nan 8.290 nan 0.000 0.452 369 S N 2.449 118.155 115.700 0.010 0.000 2.573 369 S HA 0.056 4.526 4.470 -0.000 0.000 0.277 369 S C 1.017 175.621 174.600 0.005 0.000 1.346 369 S CA -0.070 58.127 58.200 -0.006 0.000 1.034 369 S CB 0.452 63.642 63.200 -0.015 0.000 0.879 369 S HN 0.793 nan 8.310 nan 0.000 0.528 370 T N 2.057 116.610 114.554 -0.001 0.000 2.720 370 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 370 T C 1.601 176.309 174.700 0.014 0.000 1.037 370 T CA 1.938 64.042 62.100 0.007 0.000 1.144 370 T CB -0.489 68.380 68.868 0.001 0.000 0.864 370 T HN 0.793 nan 8.240 nan 0.000 0.444 371 E N 0.773 120.978 120.200 0.008 0.000 2.077 371 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 371 E C 2.219 178.838 176.600 0.031 0.000 0.989 371 E CA 0.820 57.228 56.400 0.014 0.000 0.800 371 E CB -0.305 29.396 29.700 0.002 0.000 0.746 371 E HN 0.420 nan 8.360 nan 0.000 0.452 372 L N 0.709 121.953 121.223 0.035 0.000 2.056 372 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 372 L C 2.395 179.307 176.870 0.070 0.000 1.078 372 L CA 0.512 55.387 54.840 0.059 0.000 0.749 372 L CB -0.273 41.821 42.059 0.058 0.000 0.901 372 L HN 0.202 nan 8.230 nan 0.000 0.433 373 I N -0.019 120.581 120.570 0.049 0.000 2.226 373 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 373 I C 2.123 178.275 176.117 0.058 0.000 1.100 373 I CA 1.509 62.834 61.300 0.042 0.000 1.374 373 I CB -1.078 36.937 38.000 0.026 0.000 1.057 373 I HN 0.279 nan 8.210 nan 0.000 0.413 374 D N 0.581 121.013 120.400 0.054 0.000 2.178 374 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 374 D C 2.361 178.712 176.300 0.085 0.000 0.980 374 D CA 1.560 55.596 54.000 0.060 0.000 0.842 374 D CB -0.079 40.747 40.800 0.043 0.000 0.948 374 D HN 0.364 nan 8.370 nan 0.000 0.472 375 S N 0.046 115.806 115.700 0.100 0.000 2.419 375 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 375 S C 2.171 176.927 174.600 0.259 0.000 1.016 375 S CA 0.723 59.011 58.200 0.146 0.000 0.974 375 S CB -0.533 62.744 63.200 0.129 0.000 0.786 375 S HN 0.079 nan 8.310 nan 0.000 0.492 376 V N 3.188 123.238 119.914 0.228 0.000 2.453 376 V HA -0.201 3.918 4.120 -0.000 0.000 0.252 376 V C 2.296 178.554 176.094 0.272 0.000 1.068 376 V CA 2.220 64.689 62.300 0.282 0.000 1.070 376 V CB -0.916 30.974 31.823 0.112 0.000 0.664 376 V HN 0.830 nan 8.190 nan 0.000 0.461 377 K N 0.438 120.945 120.400 0.179 0.000 2.437 377 K HA 0.156 4.476 4.320 -0.000 0.000 0.205 377 K C 1.598 178.270 176.600 0.119 0.000 1.026 377 K CA 0.697 57.068 56.287 0.140 0.000 1.153 377 K CB 0.121 32.681 32.500 0.101 0.000 0.863 377 K HN 0.459 nan 8.250 nan 0.000 0.502 378 S N 0.651 116.435 115.700 0.140 0.000 2.442 378 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 378 S C 0.908 175.523 174.600 0.024 0.000 1.007 378 S CA 1.140 59.376 58.200 0.060 0.000 0.965 378 S CB -0.170 63.038 63.200 0.015 0.000 0.773 378 S HN 0.282 nan 8.310 nan 0.000 0.504 379 D N 0.528 120.953 120.400 0.042 0.000 2.349 379 D HA 0.254 4.894 4.640 -0.000 0.000 0.214 379 D C 0.158 176.498 176.300 0.068 0.000 1.063 379 D CA 0.259 54.270 54.000 0.018 0.000 0.847 379 D CB 0.046 40.840 40.800 -0.011 0.000 0.933 379 D HN 0.353 nan 8.370 nan 0.000 0.513 380 M N 0.276 119.919 119.600 0.071 0.000 2.274 380 M HA 0.251 4.731 4.480 -0.000 0.000 0.344 380 M C 0.218 176.551 176.300 0.054 0.000 1.161 380 M CA 0.083 55.433 55.300 0.083 0.000 1.126 380 M CB 1.201 33.844 32.600 0.072 0.000 1.522 380 M HN -0.335 nan 8.290 nan 0.000 0.461 381 T N 4.078 118.658 114.554 0.042 0.000 2.770 381 T HA 0.692 5.042 4.350 -0.000 0.000 0.283 381 T C -0.154 174.531 174.700 -0.025 0.000 0.988 381 T CA -0.359 61.747 62.100 0.009 0.000 0.957 381 T CB 0.606 69.475 68.868 0.001 0.000 0.930 381 T HN 0.434 nan 8.240 nan 0.000 0.443 382 I N 4.100 124.654 120.570 -0.027 0.000 2.410 382 I HA 0.476 4.646 4.170 -0.000 0.000 0.286 382 I C 0.149 176.238 176.117 -0.046 0.000 1.009 382 I CA -0.705 60.554 61.300 -0.068 0.000 1.111 382 I CB 1.334 39.340 38.000 0.010 0.000 1.262 382 I HN 0.305 nan 8.210 nan 0.000 0.443 383 R N 4.114 124.550 120.500 -0.107 0.000 2.670 383 R HA 0.839 5.179 4.340 -0.000 0.000 0.289 383 R C -0.000 176.322 176.300 0.037 0.000 0.965 383 R CA -0.749 55.335 56.100 -0.027 0.000 0.899 383 R CB 2.210 32.489 30.300 -0.035 0.000 1.173 383 R HN 0.844 nan 8.270 nan 0.000 0.456 384 G N 0.469 109.336 108.800 0.112 0.000 2.660 384 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.247 384 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.247 384 G C -0.864 174.194 174.900 0.265 0.000 1.328 384 G CA -0.280 44.923 45.100 0.172 0.000 0.884 384 G HN 0.650 nan 8.290 nan 0.000 0.531 385 T N 0.991 115.666 114.554 0.201 0.000 2.807 385 T HA 0.707 5.056 4.350 -0.000 0.000 0.279 385 T C -2.609 171.989 174.700 -0.169 0.000 0.993 385 T CA -1.187 60.951 62.100 0.063 0.000 0.970 385 T CB 1.794 70.673 68.868 0.018 0.000 0.950 385 T HN 0.483 nan 8.240 nan 0.000 0.441 386 P HA 0.258 nan 4.420 nan 0.000 0.264 386 P C 0.997 178.034 177.300 -0.439 0.000 1.183 386 P CA 1.186 63.667 63.100 -1.032 0.000 0.763 386 P CB 0.307 31.577 31.700 -0.717 0.000 0.807 387 G N 1.317 109.913 108.800 -0.340 0.000 2.175 387 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 387 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 387 G C -0.023 174.839 174.900 -0.063 0.000 0.982 387 G CA -0.289 44.727 45.100 -0.140 0.000 0.641 387 G HN 0.554 nan 8.290 nan 0.000 0.527 388 E N -0.592 119.584 120.200 -0.039 0.000 2.212 388 E HA 0.589 4.939 4.350 -0.000 0.000 0.270 388 E C 1.160 177.797 176.600 0.062 0.000 0.956 388 E CA -0.894 55.516 56.400 0.015 0.000 0.825 388 E CB 1.233 30.948 29.700 0.025 0.000 1.167 388 E HN 0.123 nan 8.360 nan 0.000 0.400 389 L N 0.833 122.085 121.223 0.048 0.000 2.551 389 L HA -0.074 4.266 4.340 -0.000 0.000 0.228 389 L C 2.085 178.995 176.870 0.066 0.000 1.153 389 L CA 0.886 55.759 54.840 0.054 0.000 0.851 389 L CB -0.662 41.416 42.059 0.032 0.000 0.959 389 L HN 0.601 nan 8.230 nan 0.000 0.451 390 T N -4.475 110.125 114.554 0.078 0.000 3.100 390 T HA -0.083 4.267 4.350 -0.000 0.000 0.253 390 T C 0.496 175.264 174.700 0.113 0.000 1.118 390 T CA -0.144 62.000 62.100 0.075 0.000 1.058 390 T CB -0.320 68.584 68.868 0.060 0.000 0.953 390 T HN 0.136 nan 8.240 nan 0.000 0.515 391 Y N 3.597 123.898 120.300 0.002 0.000 2.359 391 Y HA 0.459 5.008 4.550 -0.000 0.000 0.330 391 Y C 0.131 176.034 175.900 0.005 0.000 1.143 391 Y CA -0.833 57.269 58.100 0.004 0.000 1.318 391 Y CB 0.657 39.118 38.460 0.001 0.000 1.234 391 Y HN 0.328 nan 8.280 nan 0.000 0.522 392 S N 4.449 119.832 115.700 -0.528 0.000 2.541 392 S HA 0.781 5.251 4.470 -0.000 0.000 0.271 392 S C -1.994 172.277 174.600 -0.549 0.000 1.133 392 S CA -0.939 56.996 58.200 -0.441 0.000 0.876 392 S CB 1.358 64.452 63.200 -0.178 0.000 1.105 392 S HN 0.490 nan 8.310 nan 0.000 0.470 393 V N 2.592 122.293 119.914 -0.354 0.000 2.444 393 V HA 0.814 4.934 4.120 -0.000 0.000 0.294 393 V C 0.135 176.206 176.094 -0.039 0.000 1.022 393 V CA -0.114 62.077 62.300 -0.182 0.000 0.850 393 V CB 1.128 32.874 31.823 -0.128 0.000 0.992 393 V HN 1.226 nan 8.190 nan 0.000 0.426 394 T N 1.682 116.240 114.554 0.008 0.000 2.865 394 T HA 0.894 5.244 4.350 -0.000 0.000 0.294 394 T C -0.991 173.811 174.700 0.170 0.000 1.119 394 T CA -0.731 61.407 62.100 0.064 0.000 1.007 394 T CB 2.434 71.289 68.868 -0.021 0.000 1.225 394 T HN 0.869 nan 8.240 nan 0.000 0.515 395 Y N -1.860 118.433 120.300 -0.012 0.000 2.655 395 Y HA 0.776 5.326 4.550 -0.000 0.000 0.336 395 Y C -0.958 174.935 175.900 -0.012 0.000 1.154 395 Y CA -1.302 56.793 58.100 -0.008 0.000 1.055 395 Y CB 0.856 39.319 38.460 0.005 0.000 1.295 395 Y HN 0.645 nan 8.280 nan 0.000 0.465 396 T N 4.072 118.636 114.554 0.018 0.000 2.753 396 T HA 0.420 4.770 4.350 -0.000 0.000 0.297 396 T C -2.844 171.835 174.700 -0.035 0.000 0.981 396 T CA -1.371 60.673 62.100 -0.094 0.000 0.956 396 T CB 0.719 69.573 68.868 -0.024 0.000 0.936 396 T HN 0.346 nan 8.240 nan 0.000 0.463 397 P HA 0.300 nan 4.420 nan 0.000 0.271 397 P C 1.098 178.417 177.300 0.030 0.000 1.220 397 P CA 0.461 63.557 63.100 -0.006 0.000 0.768 397 P CB 0.555 32.193 31.700 -0.104 0.000 0.848 398 G N 2.055 110.897 108.800 0.070 0.000 2.205 398 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.261 398 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.261 398 G C 0.463 175.370 174.900 0.012 0.000 0.980 398 G CA 0.024 45.145 45.100 0.034 0.000 0.632 398 G HN 0.865 nan 8.290 nan 0.000 0.533 399 A N 0.840 123.667 122.820 0.012 0.000 2.548 399 A HA 0.576 4.895 4.320 -0.000 0.000 0.247 399 A C 1.772 179.342 177.584 -0.023 0.000 1.067 399 A CA 1.295 53.328 52.037 -0.007 0.000 0.757 399 A CB 0.130 19.127 19.000 -0.005 0.000 0.996 399 A HN 1.593 nan 8.150 nan 0.000 0.504 400 S N 2.099 117.784 115.700 -0.026 0.000 2.419 400 S HA -0.194 4.276 4.470 -0.000 0.000 0.235 400 S C 1.491 176.059 174.600 -0.053 0.000 1.019 400 S CA 1.770 59.949 58.200 -0.035 0.000 0.982 400 S CB -0.887 62.297 63.200 -0.027 0.000 0.789 400 S HN 1.124 nan 8.310 nan 0.000 0.490 401 T N -0.652 113.869 114.554 -0.054 0.000 3.148 401 T HA 0.169 4.518 4.350 -0.000 0.000 0.253 401 T C 0.365 175.003 174.700 -0.104 0.000 1.134 401 T CA -0.398 61.659 62.100 -0.071 0.000 1.051 401 T CB -0.530 68.305 68.868 -0.056 0.000 0.959 401 T HN 0.142 nan 8.240 nan 0.000 0.525 402 N N 2.031 120.666 118.700 -0.107 0.000 2.492 402 N HA 0.232 4.972 4.740 -0.000 0.000 0.262 402 N C 0.867 176.208 175.510 -0.282 0.000 1.202 402 N CA -0.079 52.873 53.050 -0.162 0.000 0.926 402 N CB 1.182 39.601 38.487 -0.114 0.000 1.078 402 N HN 0.320 nan 8.380 nan 0.000 0.454 403 K N 0.882 121.007 120.400 -0.458 0.000 2.228 403 K HA 0.020 4.339 4.320 -0.000 0.000 0.202 403 K C 0.032 176.043 176.600 -0.981 0.000 1.051 403 K CA 0.864 56.726 56.287 -0.709 0.000 0.960 403 K CB 0.121 32.107 32.500 -0.857 0.000 0.743 403 K HN 0.551 nan 8.250 nan 0.000 0.458 404 H N -0.457 118.275 119.070 -0.565 0.000 2.670 404 H HA 0.314 4.870 4.556 -0.000 0.000 0.361 404 H C -2.398 172.592 175.328 -0.563 0.000 1.169 404 H CA -2.839 52.712 56.048 -0.828 0.000 1.198 404 H CB 0.986 29.832 29.762 -1.526 0.000 1.700 404 H HN -0.114 nan 8.280 nan 0.000 0.542 405 P HA 0.055 nan 4.420 nan 0.000 0.276 405 P C 0.227 177.308 177.300 -0.366 0.000 1.261 405 P CA -0.329 62.556 63.100 -0.358 0.000 0.800 405 P CB 1.314 32.749 31.700 -0.441 0.000 1.066 406 D N -0.127 120.196 120.400 -0.128 0.000 2.144 406 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 406 D C 1.906 178.208 176.300 0.004 0.000 0.984 406 D CA 1.252 55.271 54.000 0.031 0.000 0.834 406 D CB -0.497 40.425 40.800 0.203 0.000 0.955 406 D HN 0.592 nan 8.370 nan 0.000 0.465 407 W N 0.279 121.651 121.300 0.120 0.000 2.363 407 W HA -0.154 4.506 4.660 -0.000 0.000 0.296 407 W C 1.955 178.547 176.519 0.122 0.000 1.212 407 W CA 0.235 57.645 57.345 0.109 0.000 1.260 407 W CB -1.393 28.125 29.460 0.097 0.000 1.131 407 W HN 0.060 nan 8.180 nan 0.000 0.530 408 W N 3.550 124.391 121.300 -0.766 0.000 2.378 408 W HA -0.178 4.482 4.660 -0.000 0.000 0.313 408 W C 1.941 178.205 176.519 -0.425 0.000 1.197 408 W CA 1.824 58.752 57.345 -0.695 0.000 1.304 408 W CB -1.096 27.688 29.460 -1.127 0.000 1.148 408 W HN -0.100 nan 8.180 nan 0.000 0.494 409 N N 0.986 119.625 118.700 -0.101 0.000 2.149 409 N HA -0.215 4.524 4.740 -0.000 0.000 0.188 409 N C 1.517 176.726 175.510 -0.501 0.000 1.019 409 N CA 2.025 54.816 53.050 -0.431 0.000 0.857 409 N CB -0.676 37.182 38.487 -1.048 0.000 0.997 409 N HN 0.269 nan 8.380 nan 0.000 0.426 410 E N 1.469 121.487 120.200 -0.303 0.000 2.077 410 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 410 E C 1.575 178.205 176.600 0.051 0.000 0.989 410 E CA 1.352 57.756 56.400 0.007 0.000 0.800 410 E CB 0.039 29.836 29.700 0.161 0.000 0.746 410 E HN 0.273 nan 8.360 nan 0.000 0.452 411 K N -0.387 120.041 120.400 0.048 0.000 2.097 411 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 411 K C 2.132 178.737 176.600 0.008 0.000 1.049 411 K CA 1.283 57.595 56.287 0.041 0.000 0.933 411 K CB -0.127 32.393 32.500 0.033 0.000 0.717 411 K HN 0.027 nan 8.250 nan 0.000 0.442 412 V N 2.142 122.026 119.914 -0.049 0.000 2.295 412 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 412 V C 2.426 178.559 176.094 0.066 0.000 1.049 412 V CA 1.795 64.086 62.300 -0.014 0.000 1.024 412 V CB -0.423 31.388 31.823 -0.020 0.000 0.648 412 V HN 0.359 nan 8.190 nan 0.000 0.447 413 K N 0.190 120.621 120.400 0.052 0.000 2.002 413 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 413 K C 2.051 178.710 176.600 0.098 0.000 1.048 413 K CA 1.937 58.280 56.287 0.093 0.000 0.930 413 K CB -0.251 32.349 32.500 0.168 0.000 0.714 413 K HN 0.424 nan 8.250 nan 0.000 0.438 414 N N 0.520 119.284 118.700 0.106 0.000 2.104 414 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 414 N C 1.796 177.378 175.510 0.121 0.000 1.024 414 N CA 1.587 54.698 53.050 0.103 0.000 0.853 414 N CB -0.760 37.792 38.487 0.109 0.000 1.008 414 N HN 0.440 nan 8.380 nan 0.000 0.424 415 H N 0.730 119.837 119.070 0.063 0.000 2.290 415 H HA 0.041 4.597 4.556 -0.000 0.000 0.298 415 H C 2.072 177.462 175.328 0.105 0.000 1.087 415 H CA 1.939 58.042 56.048 0.092 0.000 1.291 415 H CB -0.154 29.576 29.762 -0.053 0.000 1.369 415 H HN 0.123 nan 8.280 nan 0.000 0.492 416 M N -0.843 118.749 119.600 -0.013 0.000 2.229 416 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 416 M C 1.831 178.170 176.300 0.066 0.000 1.063 416 M CA 1.128 56.425 55.300 -0.006 0.000 1.114 416 M CB 0.033 32.712 32.600 0.131 0.000 1.387 416 M HN 0.357 nan 8.290 nan 0.000 0.420 417 M N -0.468 119.164 119.600 0.053 0.000 2.334 417 M HA -0.061 4.418 4.480 -0.000 0.000 0.266 417 M C 1.937 178.222 176.300 -0.025 0.000 1.082 417 M CA 1.361 56.704 55.300 0.072 0.000 1.141 417 M CB -0.747 31.876 32.600 0.039 0.000 1.380 417 M HN 0.254 nan 8.290 nan 0.000 0.440 418 Q N -0.678 119.039 119.800 -0.138 0.000 2.354 418 Q HA 0.026 4.365 4.340 -0.000 0.000 0.203 418 Q C 0.082 175.709 176.000 -0.621 0.000 0.933 418 Q CA 0.793 56.395 55.803 -0.336 0.000 0.901 418 Q CB 0.434 28.952 28.738 -0.366 0.000 1.007 418 Q HN 0.569 nan 8.270 nan 0.000 0.495 419 H N 0.479 119.478 119.070 -0.119 0.000 2.379 419 H HA 0.262 4.818 4.556 -0.000 0.000 0.229 419 H C 0.327 175.570 175.328 -0.143 0.000 1.423 419 H CA -0.090 55.887 56.048 -0.119 0.000 1.375 419 H CB 0.510 30.181 29.762 -0.152 0.000 1.592 419 H HN 0.210 nan 8.280 nan 0.000 0.507 420 Q N 0.614 120.389 119.800 -0.043 0.000 2.435 420 Q HA -0.087 4.252 4.340 -0.000 0.000 0.207 420 Q C 1.832 177.777 176.000 -0.091 0.000 0.956 420 Q CA 0.617 56.356 55.803 -0.106 0.000 0.917 420 Q CB 0.503 29.138 28.738 -0.171 0.000 0.997 420 Q HN 0.525 nan 8.270 nan 0.000 0.497 421 E N 1.174 121.368 120.200 -0.010 0.000 2.358 421 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 421 E C -0.242 176.390 176.600 0.053 0.000 1.010 421 E CA 0.516 56.925 56.400 0.015 0.000 0.856 421 E CB 0.004 29.732 29.700 0.046 0.000 0.795 421 E HN 0.154 nan 8.360 nan 0.000 0.504 422 D N 2.051 122.503 120.400 0.086 0.000 2.264 422 D HA 0.110 4.750 4.640 -0.000 0.000 0.250 422 D C -1.587 174.766 176.300 0.087 0.000 1.113 422 D CA -2.033 52.049 54.000 0.137 0.000 0.871 422 D CB 1.576 42.508 40.800 0.219 0.000 1.167 422 D HN -0.146 nan 8.370 nan 0.000 0.447 423 P HA 0.125 nan 4.420 nan 0.000 0.255 423 P C -0.228 177.114 177.300 0.070 0.000 1.248 423 P CA 0.127 63.264 63.100 0.062 0.000 0.807 423 P CB 0.400 32.129 31.700 0.049 0.000 1.150 424 L N 1.572 122.848 121.223 0.087 0.000 2.334 424 L HA 0.394 4.733 4.340 -0.000 0.000 0.272 424 L C -1.533 175.377 176.870 0.066 0.000 1.020 424 L CA -2.221 52.646 54.840 0.045 0.000 0.812 424 L CB 2.364 44.416 42.059 -0.011 0.000 1.264 424 L HN -0.302 nan 8.230 nan 0.000 0.439 425 P HA 0.170 nan 4.420 nan 0.000 0.267 425 P C 0.125 177.298 177.300 -0.212 0.000 1.289 425 P CA 0.329 63.441 63.100 0.019 0.000 0.866 425 P CB 0.531 32.246 31.700 0.026 0.000 1.309 426 I N 2.497 122.846 120.570 -0.368 0.000 2.371 426 I HA 0.212 4.381 4.170 -0.000 0.000 0.290 426 I C -2.141 173.464 176.117 -0.852 0.000 1.028 426 I CA -2.652 58.362 61.300 -0.476 0.000 1.345 426 I CB 0.672 38.490 38.000 -0.304 0.000 1.407 426 I HN -0.247 nan 8.210 nan 0.000 0.501 427 P HA -0.014 nan 4.420 nan 0.000 0.267 427 P C 0.272 177.317 177.300 -0.424 0.000 1.200 427 P CA 0.082 62.793 63.100 -0.647 0.000 0.772 427 P CB 0.352 31.907 31.700 -0.243 0.000 0.855 428 F N 0.782 120.612 119.950 -0.199 0.000 2.171 428 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 428 F C 1.686 177.438 175.800 -0.079 0.000 1.090 428 F CA 1.588 59.513 58.000 -0.125 0.000 1.293 428 F CB -0.718 38.218 39.000 -0.106 0.000 1.013 428 F HN 0.386 nan 8.300 nan 0.000 0.486 429 E N -0.016 120.255 120.200 0.119 0.000 2.423 429 E HA 0.019 4.369 4.350 -0.000 0.000 0.198 429 E C -0.446 176.167 176.600 0.021 0.000 1.038 429 E CA -0.250 56.192 56.400 0.070 0.000 1.011 429 E CB -0.266 29.474 29.700 0.068 0.000 1.118 429 E HN 0.195 nan 8.360 nan 0.000 0.451 430 D N 2.344 122.737 120.400 -0.012 0.000 2.425 430 D HA 0.045 4.685 4.640 -0.000 0.000 0.247 430 D C -2.299 174.011 176.300 0.016 0.000 1.147 430 D CA -1.617 52.363 54.000 -0.033 0.000 0.879 430 D CB 0.855 41.597 40.800 -0.096 0.000 1.179 430 D HN -0.105 nan 8.370 nan 0.000 0.456 431 P HA 0.087 nan 4.420 nan 0.000 0.272 431 P C -0.429 176.993 177.300 0.205 0.000 1.230 431 P CA -0.372 62.813 63.100 0.141 0.000 0.788 431 P CB 0.385 32.139 31.700 0.091 0.000 0.949 432 E N 2.478 122.821 120.200 0.238 0.000 2.392 432 E HA 0.185 4.535 4.350 -0.000 0.000 0.259 432 E C -2.387 174.255 176.600 0.070 0.000 1.108 432 E CA -1.961 54.499 56.400 0.100 0.000 0.916 432 E CB -0.885 28.824 29.700 0.015 0.000 0.989 432 E HN 0.256 nan 8.360 nan 0.000 0.432 433 P HA 0.040 nan 4.420 nan 0.000 0.271 433 P C -0.482 176.842 177.300 0.039 0.000 1.218 433 P CA 0.062 63.239 63.100 0.128 0.000 0.780 433 P CB 0.444 32.169 31.700 0.042 0.000 0.901 434 Q N 1.199 121.145 119.800 0.243 0.000 3.394 434 Q HA 0.294 4.634 4.340 -0.000 0.000 0.285 434 Q C -0.885 175.231 176.000 0.193 0.000 0.866 434 Q CA -0.354 55.450 55.803 0.002 0.000 0.844 434 Q CB 1.142 29.624 28.738 -0.426 0.000 1.472 434 Q HN 0.197 nan 8.270 nan 0.000 0.401 435 V N 0.468 120.450 119.914 0.113 0.000 2.630 435 V HA 0.729 4.849 4.120 -0.000 0.000 0.305 435 V C 0.235 176.361 176.094 0.053 0.000 1.046 435 V CA -0.424 61.933 62.300 0.094 0.000 0.934 435 V CB 2.014 33.827 31.823 -0.016 0.000 1.003 435 V HN 0.409 nan 8.190 nan 0.000 0.451 436 T N 1.573 116.192 114.554 0.108 0.000 2.916 436 T HA 0.462 4.812 4.350 -0.000 0.000 0.305 436 T C -0.905 173.782 174.700 -0.022 0.000 1.119 436 T CA -0.312 61.802 62.100 0.023 0.000 1.008 436 T CB 1.787 70.651 68.868 -0.007 0.000 1.129 436 T HN 0.854 nan 8.240 nan 0.000 0.480 437 T N 4.962 119.365 114.554 -0.252 0.000 2.772 437 T HA 0.603 4.953 4.350 -0.000 0.000 0.288 437 T C -0.020 174.567 174.700 -0.189 0.000 0.994 437 T CA -0.592 61.201 62.100 -0.511 0.000 0.951 437 T CB -0.196 67.930 68.868 -1.237 0.000 0.933 437 T HN 0.514 nan 8.240 nan 0.000 0.447 438 L N 4.424 125.605 121.223 -0.070 0.000 2.452 438 L HA 0.385 4.725 4.340 -0.000 0.000 0.267 438 L C 0.780 177.664 176.870 0.024 0.000 1.188 438 L CA -0.913 53.964 54.840 0.063 0.000 0.821 438 L CB 0.175 42.258 42.059 0.041 0.000 1.102 438 L HN 0.618 nan 8.230 nan 0.000 0.470 439 F N 2.724 122.610 119.950 -0.107 0.000 2.568 439 F HA -0.094 4.433 4.527 -0.000 0.000 0.394 439 F C 0.281 175.818 175.800 -0.439 0.000 1.032 439 F CA 0.647 58.484 58.000 -0.271 0.000 1.242 439 F CB 0.110 38.999 39.000 -0.185 0.000 0.966 439 F HN 0.393 nan 8.300 nan 0.000 0.560 440 Q N 6.366 125.587 119.800 -0.964 0.000 2.501 440 Q HA 0.261 4.601 4.340 -0.000 0.000 0.288 440 Q C -2.096 173.403 176.000 -0.835 0.000 1.051 440 Q CA -1.722 53.647 55.803 -0.724 0.000 0.788 440 Q CB 1.287 29.520 28.738 -0.843 0.000 1.469 440 Q HN 0.233 nan 8.270 nan 0.000 0.416 441 P HA -0.166 nan 4.420 nan 0.000 0.216 441 P C 1.162 178.232 177.300 -0.383 0.000 1.150 441 P CA 1.891 64.801 63.100 -0.316 0.000 0.837 441 P CB 0.263 31.878 31.700 -0.142 0.000 0.786 442 S N -1.592 113.880 115.700 -0.381 0.000 2.603 442 S HA -0.059 4.411 4.470 -0.000 0.000 0.220 442 S C 0.367 174.761 174.600 -0.342 0.000 0.967 442 S CA -0.058 57.992 58.200 -0.250 0.000 0.920 442 S CB -1.206 61.941 63.200 -0.088 0.000 0.773 442 S HN 0.405 nan 8.310 nan 0.000 0.529 443 H N -1.466 117.140 119.070 -0.774 0.000 2.661 443 H HA 0.445 5.001 4.556 -0.000 0.000 0.243 443 H C -3.307 170.866 175.328 -1.925 0.000 1.410 443 H CA -1.528 53.661 56.048 -1.431 0.000 1.509 443 H CB 0.423 29.614 29.762 -0.950 0.000 1.761 443 H HN 0.055 nan 8.280 nan 0.000 0.576 444 P HA 0.126 nan 4.420 nan 0.000 0.214 444 P C -1.275 175.498 177.300 -0.879 0.000 1.826 444 P CA 0.100 62.142 63.100 -1.764 0.000 0.977 444 P CB -1.003 30.230 31.700 -0.778 0.000 1.930 445 W N -0.321 120.718 121.300 -0.434 0.000 3.217 445 W HA 0.512 5.172 4.660 -0.000 0.000 0.323 445 W C -0.824 175.801 176.519 0.177 0.000 1.216 445 W CA -1.264 56.131 57.345 0.084 0.000 1.194 445 W CB 0.071 29.587 29.460 0.093 0.000 1.397 445 W HN -0.004 nan 8.180 nan 0.000 0.537 446 H N 1.309 120.646 119.070 0.444 0.000 2.551 446 H HA 0.655 5.211 4.556 -0.000 0.000 0.358 446 H C -0.087 175.399 175.328 0.263 0.000 1.151 446 H CA 0.587 56.795 56.048 0.267 0.000 1.374 446 H CB 1.368 31.227 29.762 0.162 0.000 1.473 446 H HN 0.567 nan 8.280 nan 0.000 0.574 447 T N 2.099 116.331 114.554 -0.536 0.000 2.893 447 T HA 0.498 4.848 4.350 -0.000 0.000 0.293 447 T C -0.712 173.699 174.700 -0.481 0.000 1.027 447 T CA -1.113 60.700 62.100 -0.479 0.000 0.988 447 T CB 1.606 70.107 68.868 -0.613 0.000 1.043 447 T HN 0.659 nan 8.240 nan 0.000 0.461 448 Q N 1.838 121.553 119.800 -0.141 0.000 2.304 448 Q HA 0.581 4.921 4.340 -0.000 0.000 0.270 448 Q C -1.204 174.723 176.000 -0.122 0.000 1.035 448 Q CA -0.671 54.980 55.803 -0.252 0.000 0.781 448 Q CB 2.586 31.038 28.738 -0.478 0.000 1.261 448 Q HN 0.718 nan 8.270 nan 0.000 0.444 449 I N 4.653 125.130 120.570 -0.156 0.000 2.495 449 I HA 0.350 4.520 4.170 -0.000 0.000 0.277 449 I C -0.608 175.432 176.117 -0.128 0.000 1.045 449 I CA -0.509 60.592 61.300 -0.332 0.000 1.135 449 I CB 0.462 38.126 38.000 -0.560 0.000 1.241 449 I HN 0.646 nan 8.210 nan 0.000 0.469 450 H N 4.753 123.670 119.070 -0.255 0.000 2.883 450 H HA 0.611 5.167 4.556 -0.000 0.000 0.277 450 H C -1.511 173.781 175.328 -0.061 0.000 1.451 450 H CA -1.335 54.640 56.048 -0.121 0.000 1.157 450 H CB 1.397 31.119 29.762 -0.067 0.000 1.851 450 H HN 0.213 nan 8.280 nan 0.000 0.566 451 R N 0.946 121.290 120.500 -0.261 0.000 2.575 451 R HA 0.559 4.899 4.340 -0.000 0.000 0.293 451 R C -1.283 174.800 176.300 -0.363 0.000 0.983 451 R CA -0.529 55.371 56.100 -0.333 0.000 0.887 451 R CB 1.787 32.008 30.300 -0.132 0.000 1.184 451 R HN 0.871 nan 8.270 nan 0.000 0.445 452 D N 0.193 120.387 120.400 -0.343 0.000 2.725 452 D HA 0.459 5.099 4.640 -0.000 0.000 0.292 452 D C -1.590 174.564 176.300 -0.244 0.000 1.288 452 D CA -0.395 53.434 54.000 -0.286 0.000 0.784 452 D CB 1.836 42.462 40.800 -0.290 0.000 1.308 452 D HN 0.523 nan 8.370 nan 0.000 0.429 453 A N 1.023 123.581 122.820 -0.437 0.000 2.290 453 A HA 0.711 5.031 4.320 -0.000 0.000 0.310 453 A C -1.097 176.060 177.584 -0.712 0.000 1.202 453 A CA -0.182 51.657 52.037 -0.330 0.000 0.837 453 A CB -0.091 18.848 19.000 -0.101 0.000 1.139 453 A HN 0.323 nan 8.150 nan 0.000 0.509 454 F N 0.250 120.034 119.950 -0.277 0.000 2.664 454 F HA 0.384 4.911 4.527 -0.000 0.000 0.329 454 F C 1.705 177.271 175.800 -0.390 0.000 1.090 454 F CA 0.169 57.950 58.000 -0.366 0.000 0.978 454 F CB 1.845 40.433 39.000 -0.687 0.000 1.378 454 F HN 0.583 nan 8.300 nan 0.000 0.495 455 S N -0.327 115.331 115.700 -0.069 0.000 2.447 455 S HA -0.202 4.268 4.470 -0.000 0.000 0.233 455 S C 1.132 175.716 174.600 -0.027 0.000 1.006 455 S CA 1.328 59.510 58.200 -0.029 0.000 0.957 455 S CB -0.886 62.367 63.200 0.088 0.000 0.773 455 S HN 0.673 nan 8.310 nan 0.000 0.507 456 Y N 0.946 121.236 120.300 -0.016 0.000 2.457 456 Y HA 0.614 5.163 4.550 -0.000 0.000 0.263 456 Y C 1.144 177.009 175.900 -0.059 0.000 1.164 456 Y CA -1.493 56.567 58.100 -0.067 0.000 1.274 456 Y CB -1.121 37.256 38.460 -0.139 0.000 1.097 456 Y HN 0.170 nan 8.280 nan 0.000 0.523 457 G N 1.446 110.090 108.800 -0.260 0.000 2.460 457 G HA2 0.301 4.261 3.960 -0.000 0.000 0.230 457 G HA3 0.301 4.261 3.960 -0.000 0.000 0.230 457 G C -0.485 174.413 174.900 -0.004 0.000 1.248 457 G CA 0.256 45.281 45.100 -0.125 0.000 0.863 457 G HN 0.778 nan 8.290 nan 0.000 0.549 458 A N 1.844 124.691 122.820 0.046 0.000 2.414 458 A HA 0.579 4.899 4.320 -0.000 0.000 0.286 458 A C -0.226 177.397 177.584 0.065 0.000 1.073 458 A CA -0.580 51.496 52.037 0.065 0.000 0.727 458 A CB 1.455 20.515 19.000 0.099 0.000 1.215 458 A HN 1.154 nan 8.150 nan 0.000 0.430 459 V N 2.368 122.310 119.914 0.047 0.000 2.637 459 V HA 0.333 4.453 4.120 -0.000 0.000 0.296 459 V C 0.391 176.514 176.094 0.048 0.000 1.046 459 V CA -0.145 62.182 62.300 0.045 0.000 1.066 459 V CB 1.096 32.941 31.823 0.037 0.000 0.968 459 V HN 0.882 nan 8.190 nan 0.000 0.483 460 Q N 3.036 122.865 119.800 0.048 0.000 2.337 460 Q HA 0.392 4.732 4.340 -0.000 0.000 0.270 460 Q C -0.599 175.425 176.000 0.039 0.000 1.043 460 Q CA -0.603 55.227 55.803 0.046 0.000 0.794 460 Q CB 2.307 31.078 28.738 0.056 0.000 1.281 460 Q HN 0.746 nan 8.270 nan 0.000 0.446 461 Q N 0.973 120.793 119.800 0.034 0.000 2.322 461 Q HA 0.116 4.456 4.340 -0.000 0.000 0.250 461 Q C 1.457 177.475 176.000 0.029 0.000 0.853 461 Q CA 1.029 56.850 55.803 0.030 0.000 0.951 461 Q CB 0.736 29.489 28.738 0.025 0.000 1.114 461 Q HN 0.733 nan 8.270 nan 0.000 0.523 462 S N -0.471 115.246 115.700 0.028 0.000 2.446 462 S HA 0.089 4.559 4.470 -0.000 0.000 0.225 462 S C 1.015 175.633 174.600 0.030 0.000 1.016 462 S CA 0.101 58.317 58.200 0.027 0.000 0.943 462 S CB 0.222 63.436 63.200 0.024 0.000 0.786 462 S HN 0.081 nan 8.310 nan 0.000 0.508 463 I N 3.295 123.885 120.570 0.033 0.000 2.396 463 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 463 I C 0.338 176.479 176.117 0.040 0.000 0.999 463 I CA -1.138 60.183 61.300 0.035 0.000 1.310 463 I CB 0.580 38.602 38.000 0.036 0.000 1.404 463 I HN 0.223 nan 8.210 nan 0.000 0.496 464 D N 4.041 124.468 120.400 0.044 0.000 2.487 464 D HA -0.064 4.576 4.640 -0.000 0.000 0.243 464 D C 1.214 177.543 176.300 0.048 0.000 1.154 464 D CA 0.203 54.234 54.000 0.052 0.000 0.876 464 D CB 1.143 41.980 40.800 0.061 0.000 1.161 464 D HN 0.658 nan 8.370 nan 0.000 0.478 465 S N 4.262 119.992 115.700 0.050 0.000 2.442 465 S HA -0.186 4.284 4.470 -0.000 0.000 0.236 465 S C 1.665 176.288 174.600 0.039 0.000 1.007 465 S CA 0.607 58.834 58.200 0.045 0.000 0.965 465 S CB -0.035 63.191 63.200 0.044 0.000 0.773 465 S HN 0.547 nan 8.310 nan 0.000 0.504 466 R N 0.787 121.309 120.500 0.036 0.000 2.193 466 R HA 0.169 4.509 4.340 -0.000 0.000 0.229 466 R C 1.791 178.096 176.300 0.008 0.000 1.110 466 R CA 1.097 57.203 56.100 0.010 0.000 0.988 466 R CB -0.537 29.752 30.300 -0.019 0.000 0.871 466 R HN 0.447 nan 8.270 nan 0.000 0.458 467 L N 0.426 121.662 121.223 0.023 0.000 2.492 467 L HA 0.118 4.458 4.340 -0.000 0.000 0.223 467 L C 0.635 177.533 176.870 0.047 0.000 1.132 467 L CA 0.225 55.083 54.840 0.029 0.000 0.850 467 L CB 0.080 42.157 42.059 0.031 0.000 0.966 467 L HN 0.067 nan 8.230 nan 0.000 0.454 468 I N 0.003 120.602 120.570 0.049 0.000 2.392 468 I HA 0.281 4.451 4.170 -0.000 0.000 0.295 468 I C -0.584 175.573 176.117 0.066 0.000 0.985 468 I CA -0.477 60.864 61.300 0.068 0.000 1.221 468 I CB 1.938 39.976 38.000 0.063 0.000 1.366 468 I HN -0.311 nan 8.210 nan 0.000 0.467 469 V N 4.648 124.628 119.914 0.110 0.000 2.656 469 V HA 0.346 4.466 4.120 -0.000 0.000 0.307 469 V C -0.846 175.293 176.094 0.075 0.000 1.051 469 V CA -0.836 61.494 62.300 0.049 0.000 0.893 469 V CB 2.175 34.025 31.823 0.045 0.000 0.999 469 V HN 0.589 nan 8.190 nan 0.000 0.426 470 D N 2.304 122.689 120.400 -0.026 0.000 2.225 470 D HA 0.479 5.119 4.640 -0.000 0.000 0.249 470 D C -1.026 175.237 176.300 -0.062 0.000 1.052 470 D CA 0.061 54.120 54.000 0.099 0.000 0.909 470 D CB 1.338 42.236 40.800 0.163 0.000 1.186 470 D HN 0.444 nan 8.370 nan 0.000 0.431 471 W N 1.260 122.645 121.300 0.141 0.000 2.538 471 W HA 0.456 5.116 4.660 -0.000 0.000 0.322 471 W C 0.155 176.777 176.519 0.172 0.000 1.028 471 W CA -0.847 56.581 57.345 0.138 0.000 1.228 471 W CB 1.238 30.647 29.460 -0.084 0.000 1.356 471 W HN -0.071 nan 8.180 nan 0.000 0.452 472 R N 3.085 123.820 120.500 0.392 0.000 2.483 472 R HA 0.498 4.838 4.340 -0.000 0.000 0.303 472 R C -1.507 174.941 176.300 0.247 0.000 0.987 472 R CA -0.824 55.356 56.100 0.133 0.000 0.881 472 R CB 1.550 31.811 30.300 -0.066 0.000 1.177 472 R HN 0.164 nan 8.270 nan 0.000 0.451 473 F N 2.936 122.724 119.950 -0.269 0.000 2.469 473 F HA 0.516 5.042 4.527 -0.000 0.000 0.332 473 F C -0.298 175.362 175.800 -0.233 0.000 1.103 473 F CA -1.593 56.348 58.000 -0.100 0.000 0.979 473 F CB 1.099 40.007 39.000 -0.154 0.000 1.137 473 F HN 0.285 nan 8.300 nan 0.000 0.463 474 F N 1.128 121.246 119.950 0.279 0.000 2.449 474 F HA 0.666 5.193 4.527 -0.000 0.000 0.342 474 F C 0.603 176.594 175.800 0.317 0.000 1.127 474 F CA -1.211 56.949 58.000 0.265 0.000 0.975 474 F CB 1.496 40.700 39.000 0.340 0.000 1.146 474 F HN 0.511 nan 8.300 nan 0.000 0.444 475 G N 2.089 111.119 108.800 0.383 0.000 2.437 475 G HA2 0.641 4.601 3.960 -0.000 0.000 0.319 475 G HA3 0.641 4.601 3.960 -0.000 0.000 0.319 475 G C -0.871 174.202 174.900 0.289 0.000 1.158 475 G CA -1.072 44.234 45.100 0.344 0.000 0.899 475 G HN 0.714 nan 8.290 nan 0.000 0.502 476 R N -0.642 120.025 120.500 0.279 0.000 2.486 476 R HA 0.674 5.014 4.340 -0.000 0.000 0.286 476 R C -1.005 175.383 176.300 0.146 0.000 0.999 476 R CA -0.562 55.629 56.100 0.152 0.000 0.993 476 R CB 1.296 31.698 30.300 0.170 0.000 1.084 476 R HN 0.269 nan 8.270 nan 0.000 0.487 477 T N 2.361 116.971 114.554 0.093 0.000 2.812 477 T HA 0.166 4.516 4.350 -0.000 0.000 0.282 477 T C -0.831 173.949 174.700 0.133 0.000 0.990 477 T CA -0.747 61.460 62.100 0.178 0.000 0.960 477 T CB 1.292 70.337 68.868 0.295 0.000 0.948 477 T HN 0.585 nan 8.240 nan 0.000 0.438 478 E N 4.523 124.804 120.200 0.135 0.000 2.415 478 E HA 0.123 4.473 4.350 -0.000 0.000 0.263 478 E C -2.151 174.529 176.600 0.133 0.000 0.995 478 E CA -1.463 55.008 56.400 0.118 0.000 0.915 478 E CB 0.246 30.006 29.700 0.100 0.000 0.951 478 E HN 0.307 nan 8.360 nan 0.000 0.449 479 P HA 0.055 nan 4.420 nan 0.000 0.276 479 P C -0.905 176.543 177.300 0.247 0.000 1.253 479 P CA 0.072 63.312 63.100 0.234 0.000 0.766 479 P CB 0.637 32.496 31.700 0.265 0.000 0.845 480 K N 2.746 123.232 120.400 0.142 0.000 2.371 480 K HA 0.166 4.486 4.320 -0.000 0.000 0.251 480 K C 0.993 177.423 176.600 -0.284 0.000 0.934 480 K CA -0.734 55.553 56.287 0.001 0.000 0.798 480 K CB 2.194 34.664 32.500 -0.051 0.000 1.204 480 K HN 0.393 nan 8.250 nan 0.000 0.427 481 E N 2.548 122.438 120.200 -0.516 0.000 2.153 481 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 481 E C 0.835 177.196 176.600 -0.397 0.000 0.988 481 E CA 1.350 57.228 56.400 -0.869 0.000 0.811 481 E CB 0.526 29.894 29.700 -0.553 0.000 0.746 481 E HN 0.630 nan 8.360 nan 0.000 0.466 482 E N 0.294 120.357 120.200 -0.227 0.000 2.409 482 E HA -0.104 4.246 4.350 -0.000 0.000 0.198 482 E C -0.047 176.493 176.600 -0.100 0.000 1.024 482 E CA 0.259 56.576 56.400 -0.139 0.000 0.861 482 E CB -0.354 29.280 29.700 -0.111 0.000 0.788 482 E HN 0.011 nan 8.360 nan 0.000 0.521 483 N N 1.910 120.543 118.700 -0.110 0.000 2.420 483 N HA 0.204 4.944 4.740 -0.000 0.000 0.249 483 N C -0.819 174.753 175.510 0.103 0.000 1.033 483 N CA 0.001 53.043 53.050 -0.014 0.000 0.944 483 N CB 1.202 39.656 38.487 -0.055 0.000 1.113 483 N HN 0.101 nan 8.380 nan 0.000 0.502 484 K N 1.169 121.678 120.400 0.182 0.000 2.426 484 K HA 0.473 4.792 4.320 -0.000 0.000 0.251 484 K C -1.162 175.584 176.600 0.245 0.000 0.941 484 K CA -0.940 55.472 56.287 0.209 0.000 0.808 484 K CB 2.483 35.111 32.500 0.214 0.000 1.265 484 K HN 0.166 nan 8.250 nan 0.000 0.432 485 L N 3.901 125.219 121.223 0.159 0.000 2.319 485 L HA 0.568 4.907 4.340 -0.000 0.000 0.281 485 L C -1.320 175.492 176.870 -0.097 0.000 1.005 485 L CA -0.112 54.658 54.840 -0.117 0.000 0.828 485 L CB 0.602 42.607 42.059 -0.090 0.000 1.227 485 L HN 0.709 nan 8.230 nan 0.000 0.415 486 W N 3.704 124.717 121.300 -0.478 0.000 3.017 486 W HA 0.659 5.319 4.660 -0.000 0.000 0.341 486 W C -2.208 173.872 176.519 -0.732 0.000 1.180 486 W CA -1.198 55.929 57.345 -0.363 0.000 1.097 486 W CB 0.987 30.376 29.460 -0.118 0.000 1.468 486 W HN 0.343 nan 8.180 nan 0.000 0.584 487 F N 1.499 121.639 119.950 0.318 0.000 2.529 487 F HA 0.327 4.854 4.527 -0.000 0.000 0.320 487 F C 0.775 176.738 175.800 0.272 0.000 1.118 487 F CA -0.922 57.148 58.000 0.116 0.000 0.915 487 F CB 2.100 41.150 39.000 0.082 0.000 1.161 487 F HN 0.264 nan 8.300 nan 0.000 0.445 488 S N 1.189 117.030 115.700 0.236 0.000 2.560 488 S HA 0.030 4.500 4.470 -0.000 0.000 0.284 488 S C 0.771 175.515 174.600 0.241 0.000 1.327 488 S CA -0.462 57.906 58.200 0.281 0.000 1.055 488 S CB 0.304 63.581 63.200 0.128 0.000 0.868 488 S HN 0.687 nan 8.310 nan 0.000 0.506 489 D N 3.019 123.550 120.400 0.218 0.000 2.340 489 D HA 0.142 4.782 4.640 -0.000 0.000 0.220 489 D C 0.837 177.198 176.300 0.102 0.000 1.039 489 D CA 0.312 54.395 54.000 0.138 0.000 0.866 489 D CB 0.221 41.086 40.800 0.108 0.000 0.913 489 D HN 0.254 nan 8.370 nan 0.000 0.523 490 K N -0.366 120.098 120.400 0.107 0.000 2.493 490 K HA 0.239 4.558 4.320 -0.000 0.000 0.201 490 K C 0.417 177.059 176.600 0.070 0.000 1.355 490 K CA -0.054 56.280 56.287 0.079 0.000 0.953 490 K CB 1.061 33.606 32.500 0.075 0.000 1.316 490 K HN 0.100 nan 8.250 nan 0.000 0.522 491 I N 3.338 123.953 120.570 0.074 0.000 2.428 491 I HA 0.151 4.321 4.170 -0.000 0.000 0.289 491 I C 0.692 176.845 176.117 0.060 0.000 1.019 491 I CA -0.010 61.323 61.300 0.056 0.000 1.351 491 I CB 0.813 38.836 38.000 0.038 0.000 1.412 491 I HN 0.105 nan 8.210 nan 0.000 0.513 492 T N 1.484 116.070 114.554 0.053 0.000 2.930 492 T HA 0.604 4.954 4.350 -0.000 0.000 0.290 492 T C -0.359 174.377 174.700 0.060 0.000 1.052 492 T CA -0.902 61.236 62.100 0.063 0.000 1.017 492 T CB 2.418 71.318 68.868 0.054 0.000 1.137 492 T HN 0.541 nan 8.240 nan 0.000 0.511 493 D N 0.435 120.886 120.400 0.085 0.000 2.511 493 D HA 0.486 5.126 4.640 -0.000 0.000 0.276 493 D C 1.536 177.877 176.300 0.069 0.000 1.220 493 D CA -0.497 53.560 54.000 0.095 0.000 1.077 493 D CB 0.066 40.959 40.800 0.154 0.000 1.126 493 D HN 0.656 nan 8.370 nan 0.000 0.583 494 A N -1.444 121.411 122.820 0.058 0.000 2.121 494 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 494 A C 1.051 178.483 177.584 -0.253 0.000 1.154 494 A CA 0.781 52.762 52.037 -0.094 0.000 0.679 494 A CB -0.906 18.012 19.000 -0.137 0.000 0.795 494 A HN 0.534 nan 8.150 nan 0.000 0.458 495 Y N -0.663 119.656 120.300 0.030 0.000 2.658 495 Y HA 0.205 4.755 4.550 -0.000 0.000 0.276 495 Y C 0.427 176.349 175.900 0.036 0.000 1.167 495 Y CA -0.240 57.880 58.100 0.032 0.000 1.230 495 Y CB -0.518 37.946 38.460 0.005 0.000 1.144 495 Y HN 0.501 nan 8.280 nan 0.000 0.529 496 N N -0.682 118.081 118.700 0.104 0.000 2.747 496 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 496 N C -0.613 174.941 175.510 0.073 0.000 1.107 496 N CA 0.503 53.594 53.050 0.068 0.000 0.707 496 N CB -0.730 37.779 38.487 0.037 0.000 1.054 496 N HN 0.177 nan 8.380 nan 0.000 0.555 497 M N -0.371 119.288 119.600 0.099 0.000 2.654 497 M HA 0.450 4.930 4.480 -0.000 0.000 0.310 497 M C -2.203 174.155 176.300 0.096 0.000 1.211 497 M CA -2.087 53.258 55.300 0.075 0.000 0.947 497 M CB 0.538 33.178 32.600 0.067 0.000 1.647 497 M HN -0.296 nan 8.290 nan 0.000 0.481 498 P HA 0.021 nan 4.420 nan 0.000 0.264 498 P C -0.658 176.797 177.300 0.258 0.000 1.193 498 P CA 0.003 63.200 63.100 0.162 0.000 0.763 498 P CB 0.238 32.043 31.700 0.174 0.000 0.810 499 Q N 6.627 126.523 119.800 0.160 0.000 2.271 499 Q HA 0.155 4.495 4.340 -0.000 0.000 0.273 499 Q C -2.228 173.741 176.000 -0.052 0.000 1.051 499 Q CA -1.973 53.873 55.803 0.072 0.000 0.901 499 Q CB -0.320 28.410 28.738 -0.014 0.000 1.174 499 Q HN 0.294 nan 8.270 nan 0.000 0.385 500 P HA 0.067 nan 4.420 nan 0.000 0.268 500 P C -1.022 175.792 177.300 -0.810 0.000 1.205 500 P CA -0.015 62.682 63.100 -0.672 0.000 0.771 500 P CB 0.884 32.279 31.700 -0.508 0.000 0.858 501 T N 3.128 116.963 114.554 -1.199 0.000 2.921 501 T HA 0.503 4.853 4.350 -0.000 0.000 0.297 501 T C -0.622 173.383 174.700 -1.158 0.000 1.013 501 T CA -0.118 61.270 62.100 -1.187 0.000 0.990 501 T CB 0.470 68.276 68.868 -1.771 0.000 1.023 501 T HN 0.045 nan 8.240 nan 0.000 0.447 502 F N 1.982 121.660 119.950 -0.453 0.000 2.422 502 F HA 0.524 5.051 4.527 -0.000 0.000 0.333 502 F C 0.640 176.397 175.800 -0.071 0.000 1.095 502 F CA -0.984 56.880 58.000 -0.227 0.000 1.038 502 F CB 1.139 40.053 39.000 -0.142 0.000 1.156 502 F HN 0.388 nan 8.300 nan 0.000 0.483 503 D N 3.458 124.018 120.400 0.268 0.000 2.408 503 D HA 0.226 4.866 4.640 -0.000 0.000 0.261 503 D C -1.779 174.646 176.300 0.209 0.000 1.190 503 D CA -0.113 54.031 54.000 0.239 0.000 0.910 503 D CB 0.340 41.311 40.800 0.284 0.000 1.097 503 D HN 0.294 nan 8.370 nan 0.000 0.522 504 F N 3.409 123.357 119.950 -0.003 0.000 2.561 504 F HA 0.577 5.104 4.527 -0.000 0.000 0.313 504 F C -1.085 174.609 175.800 -0.176 0.000 1.126 504 F CA -0.588 57.344 58.000 -0.114 0.000 0.918 504 F CB 1.324 40.200 39.000 -0.207 0.000 1.199 504 F HN 0.027 nan 8.300 nan 0.000 0.444 505 R N 4.175 124.153 120.500 -0.870 0.000 2.740 505 R HA 0.370 4.710 4.340 -0.000 0.000 0.273 505 R C -1.656 173.978 176.300 -1.110 0.000 0.998 505 R CA -0.977 54.692 56.100 -0.718 0.000 0.900 505 R CB 1.732 31.841 30.300 -0.318 0.000 1.223 505 R HN 0.566 nan 8.270 nan 0.000 0.466 506 F N 2.729 122.442 119.950 -0.395 0.000 2.543 506 F HA 0.193 4.720 4.527 -0.000 0.000 0.375 506 F C -1.311 174.360 175.800 -0.216 0.000 1.075 506 F CA -1.324 56.532 58.000 -0.240 0.000 1.225 506 F CB -0.152 38.827 39.000 -0.035 0.000 1.099 506 F HN 0.121 nan 8.300 nan 0.000 0.561 507 P HA 0.097 nan 4.420 nan 0.000 0.265 507 P C -0.521 176.787 177.300 0.013 0.000 1.187 507 P CA -0.110 62.967 63.100 -0.038 0.000 0.766 507 P CB 0.504 32.199 31.700 -0.008 0.000 0.820 508 A N 2.688 125.504 122.820 -0.007 0.000 2.327 508 A HA 0.625 4.945 4.320 -0.000 0.000 0.255 508 A C 1.046 178.639 177.584 0.016 0.000 1.099 508 A CA 0.644 52.682 52.037 0.002 0.000 0.801 508 A CB -0.776 18.218 19.000 -0.010 0.000 1.062 508 A HN 0.829 nan 8.150 nan 0.000 0.496 509 G N -0.207 108.605 108.800 0.019 0.000 2.488 509 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.237 509 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.237 509 G C 0.966 175.892 174.900 0.043 0.000 1.209 509 G CA 0.731 45.849 45.100 0.029 0.000 0.929 509 G HN 1.019 nan 8.290 nan 0.000 0.578 510 R N -0.349 120.184 120.500 0.055 0.000 2.103 510 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 510 R C 2.809 179.163 176.300 0.090 0.000 1.142 510 R CA 2.863 59.007 56.100 0.073 0.000 0.960 510 R CB -0.878 29.469 30.300 0.078 0.000 0.858 510 R HN 0.628 nan 8.270 nan 0.000 0.439 511 T N -0.182 114.427 114.554 0.092 0.000 2.746 511 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 511 T C 1.905 176.649 174.700 0.073 0.000 1.039 511 T CA 1.739 63.906 62.100 0.111 0.000 1.142 511 T CB -0.124 68.829 68.868 0.140 0.000 0.866 511 T HN 0.276 nan 8.240 nan 0.000 0.444 512 S N 0.609 116.336 115.700 0.045 0.000 2.371 512 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 512 S C 2.005 176.605 174.600 0.000 0.000 1.029 512 S CA 0.817 59.012 58.200 -0.008 0.000 0.978 512 S CB -0.165 63.026 63.200 -0.014 0.000 0.833 512 S HN 0.478 nan 8.310 nan 0.000 0.466 513 K N 1.433 121.853 120.400 0.033 0.000 2.032 513 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 513 K C 1.838 178.491 176.600 0.089 0.000 1.048 513 K CA 1.539 57.856 56.287 0.051 0.000 0.927 513 K CB -0.114 32.421 32.500 0.058 0.000 0.712 513 K HN 0.370 nan 8.250 nan 0.000 0.441 514 E N -0.373 119.906 120.200 0.131 0.000 2.204 514 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 514 E C 1.861 178.549 176.600 0.146 0.000 0.989 514 E CA 0.762 57.299 56.400 0.229 0.000 0.824 514 E CB 0.010 29.884 29.700 0.290 0.000 0.756 514 E HN 0.438 nan 8.360 nan 0.000 0.477 515 A N 1.308 124.175 122.820 0.079 0.000 1.897 515 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 515 A C 2.058 179.705 177.584 0.105 0.000 1.181 515 A CA 1.404 53.483 52.037 0.070 0.000 0.620 515 A CB -0.221 18.767 19.000 -0.020 0.000 0.821 515 A HN 0.105 nan 8.150 nan 0.000 0.443 516 E N 0.740 120.978 120.200 0.064 0.000 2.072 516 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 516 E C 1.261 177.840 176.600 -0.034 0.000 0.985 516 E CA 1.544 57.982 56.400 0.063 0.000 0.801 516 E CB -0.266 29.449 29.700 0.025 0.000 0.750 516 E HN 0.499 nan 8.360 nan 0.000 0.452 517 D N -0.053 120.327 120.400 -0.032 0.000 2.182 517 D HA -0.197 4.443 4.640 -0.000 0.000 0.201 517 D C 1.893 177.952 176.300 -0.402 0.000 0.986 517 D CA 1.177 55.144 54.000 -0.054 0.000 0.847 517 D CB -0.308 40.589 40.800 0.161 0.000 0.942 517 D HN 0.340 nan 8.370 nan 0.000 0.467 518 M N -0.252 118.877 119.600 -0.785 0.000 2.099 518 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 518 M C 2.086 177.978 176.300 -0.680 0.000 1.067 518 M CA 1.179 55.681 55.300 -1.330 0.000 1.124 518 M CB 0.002 32.009 32.600 -0.989 0.000 1.353 518 M HN -0.043 nan 8.290 nan 0.000 0.410 519 M N 0.355 119.681 119.600 -0.456 0.000 2.080 519 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 519 M C 1.732 177.822 176.300 -0.350 0.000 1.068 519 M CA 2.372 57.398 55.300 -0.457 0.000 1.109 519 M CB -0.924 31.467 32.600 -0.348 0.000 1.342 519 M HN 0.256 nan 8.290 nan 0.000 0.405 520 T N -0.062 114.355 114.554 -0.229 0.000 2.777 520 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 520 T C 1.462 176.089 174.700 -0.121 0.000 1.040 520 T CA 1.699 63.716 62.100 -0.138 0.000 1.141 520 T CB -0.561 68.271 68.868 -0.060 0.000 0.868 520 T HN 0.533 nan 8.240 nan 0.000 0.444 521 D N 0.757 121.087 120.400 -0.116 0.000 2.104 521 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 521 D C 2.072 178.363 176.300 -0.016 0.000 0.994 521 D CA 1.019 55.064 54.000 0.076 0.000 0.830 521 D CB -0.238 40.749 40.800 0.313 0.000 0.959 521 D HN 0.273 nan 8.370 nan 0.000 0.452 522 M N -0.442 118.909 119.600 -0.416 0.000 2.108 522 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 522 M C 1.985 177.994 176.300 -0.485 0.000 1.066 522 M CA 1.397 56.185 55.300 -0.854 0.000 1.107 522 M CB -0.175 31.638 32.600 -1.311 0.000 1.356 522 M HN 0.223 nan 8.290 nan 0.000 0.406 523 C N -0.428 118.685 119.300 -0.312 0.000 2.432 523 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 523 C C 2.669 177.562 174.990 -0.161 0.000 1.249 523 C CA 0.900 59.832 59.018 -0.143 0.000 1.725 523 C CB -1.031 26.678 27.740 -0.052 0.000 2.028 523 C HN 0.501 nan 8.230 nan 0.000 0.477 524 V N 0.644 120.497 119.914 -0.102 0.000 2.295 524 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 524 V C 2.429 178.504 176.094 -0.033 0.000 1.049 524 V CA 2.364 64.636 62.300 -0.047 0.000 1.024 524 V CB -0.674 31.172 31.823 0.037 0.000 0.648 524 V HN 0.587 nan 8.190 nan 0.000 0.447 525 M N 0.673 120.298 119.600 0.042 0.000 2.132 525 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 525 M C 2.468 178.663 176.300 -0.175 0.000 1.065 525 M CA 2.349 57.744 55.300 0.157 0.000 1.122 525 M CB -0.208 32.651 32.600 0.433 0.000 1.365 525 M HN 0.571 nan 8.290 nan 0.000 0.411 526 S N 0.535 115.826 115.700 -0.682 0.000 2.399 526 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 526 S C 1.986 176.212 174.600 -0.624 0.000 1.022 526 S CA 0.976 58.356 58.200 -1.367 0.000 0.983 526 S CB -0.876 61.268 63.200 -1.760 0.000 0.803 526 S HN 0.574 nan 8.310 nan 0.000 0.480 527 A N 1.998 124.550 122.820 -0.447 0.000 2.076 527 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 527 A C 2.160 179.628 177.584 -0.195 0.000 1.160 527 A CA 1.473 53.310 52.037 -0.334 0.000 0.653 527 A CB -0.577 18.248 19.000 -0.293 0.000 0.801 527 A HN 0.642 nan 8.150 nan 0.000 0.455 528 K N -0.790 119.538 120.400 -0.121 0.000 2.365 528 K HA 0.055 4.375 4.320 -0.000 0.000 0.199 528 K C 1.121 177.719 176.600 -0.004 0.000 1.045 528 K CA 0.694 56.954 56.287 -0.045 0.000 0.962 528 K CB 0.035 32.542 32.500 0.012 0.000 0.759 528 K HN 0.414 nan 8.250 nan 0.000 0.469 529 I N -0.870 119.711 120.570 0.018 0.000 3.445 529 I HA 0.168 4.338 4.170 -0.000 0.000 0.288 529 I C 1.055 177.193 176.117 0.034 0.000 1.198 529 I CA 0.537 61.898 61.300 0.102 0.000 1.417 529 I CB 0.221 38.426 38.000 0.341 0.000 1.205 529 I HN 0.089 nan 8.210 nan 0.000 0.448 530 G N -0.525 108.239 108.800 -0.059 0.000 2.328 530 G HA2 0.450 4.409 3.960 -0.000 0.000 0.295 530 G HA3 0.450 4.409 3.960 -0.000 0.000 0.295 530 G C -0.708 174.053 174.900 -0.231 0.000 1.413 530 G CA -0.167 44.878 45.100 -0.093 0.000 0.817 530 G HN 0.270 nan 8.290 nan 0.000 0.546 531 G N -1.106 107.552 108.800 -0.237 0.000 2.537 531 G HA2 0.576 4.536 3.960 -0.000 0.000 0.273 531 G HA3 0.576 4.536 3.960 -0.000 0.000 0.273 531 G C -0.261 174.453 174.900 -0.310 0.000 1.189 531 G CA -0.542 44.322 45.100 -0.393 0.000 0.881 531 G HN 0.446 nan 8.290 nan 0.000 0.535 532 F N -0.775 119.085 119.950 -0.151 0.000 2.496 532 F HA 0.231 4.758 4.527 -0.000 0.000 0.344 532 F C 0.679 176.420 175.800 -0.098 0.000 1.155 532 F CA -0.734 57.171 58.000 -0.157 0.000 1.302 532 F CB 0.710 39.603 39.000 -0.178 0.000 1.159 532 F HN 0.179 nan 8.300 nan 0.000 0.595 533 L N 5.424 126.721 121.223 0.123 0.000 2.281 533 L HA 0.455 4.795 4.340 -0.000 0.000 0.285 533 L C -2.455 174.440 176.870 0.042 0.000 1.074 533 L CA -2.029 52.848 54.840 0.061 0.000 0.817 533 L CB 0.221 42.309 42.059 0.047 0.000 1.168 533 L HN 0.263 nan 8.230 nan 0.000 0.434 534 P HA 0.188 nan 4.420 nan 0.000 0.265 534 P C 0.672 177.980 177.300 0.014 0.000 1.187 534 P CA 1.016 64.129 63.100 0.020 0.000 0.766 534 P CB 0.646 32.358 31.700 0.020 0.000 0.820 535 G N 1.866 110.667 108.800 0.003 0.000 2.205 535 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.261 535 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.261 535 G C 0.446 175.357 174.900 0.018 0.000 0.980 535 G CA 0.345 45.453 45.100 0.014 0.000 0.632 535 G HN 0.536 nan 8.290 nan 0.000 0.533 536 S N 0.705 116.392 115.700 -0.023 0.000 2.474 536 S HA 0.521 4.991 4.470 -0.000 0.000 0.224 536 S C 0.457 174.913 174.600 -0.240 0.000 1.209 536 S CA -0.576 57.573 58.200 -0.085 0.000 1.212 536 S CB 0.319 63.471 63.200 -0.080 0.000 1.137 536 S HN 0.479 nan 8.310 nan 0.000 0.446 537 L N 2.298 123.379 121.223 -0.238 0.000 2.472 537 L HA 0.359 4.699 4.340 -0.000 0.000 0.260 537 L C -2.092 174.447 176.870 -0.550 0.000 1.209 537 L CA -2.231 52.348 54.840 -0.435 0.000 0.817 537 L CB -0.135 41.731 42.059 -0.322 0.000 1.106 537 L HN 0.066 nan 8.230 nan 0.000 0.479 538 P HA 0.019 nan 4.420 nan 0.000 0.263 538 P C -1.396 175.634 177.300 -0.449 0.000 1.195 538 P CA 0.097 62.784 63.100 -0.688 0.000 0.762 538 P CB 0.488 31.702 31.700 -0.809 0.000 0.799 539 Q N 1.824 121.389 119.800 -0.392 0.000 2.472 539 Q HA 0.477 4.817 4.340 -0.000 0.000 0.281 539 Q C -1.463 174.330 176.000 -0.345 0.000 0.997 539 Q CA -0.879 54.768 55.803 -0.259 0.000 0.828 539 Q CB 0.695 29.355 28.738 -0.130 0.000 1.443 539 Q HN 0.086 nan 8.270 nan 0.000 0.390 540 F N 1.422 121.272 119.950 -0.166 0.000 2.399 540 F HA 0.334 4.861 4.527 -0.000 0.000 0.342 540 F C 0.498 176.196 175.800 -0.170 0.000 1.106 540 F CA -0.295 57.600 58.000 -0.176 0.000 1.196 540 F CB 0.989 39.888 39.000 -0.168 0.000 1.163 540 F HN 0.401 nan 8.300 nan 0.000 0.547 541 M N 1.452 121.013 119.600 -0.065 0.000 2.342 541 M HA 0.214 4.694 4.480 -0.000 0.000 0.332 541 M C -0.048 176.202 176.300 -0.085 0.000 1.166 541 M CA -1.100 54.089 55.300 -0.185 0.000 1.086 541 M CB 0.710 33.057 32.600 -0.421 0.000 1.541 541 M HN 0.458 nan 8.290 nan 0.000 0.462 542 E N 2.438 122.567 120.200 -0.118 0.000 2.568 542 E HA 0.001 4.351 4.350 -0.000 0.000 0.262 542 E C -2.220 174.354 176.600 -0.044 0.000 0.961 542 E CA -0.345 56.017 56.400 -0.063 0.000 0.945 542 E CB -0.422 29.232 29.700 -0.077 0.000 0.924 542 E HN 0.227 nan 8.360 nan 0.000 0.467 543 P HA 0.041 nan 4.420 nan 0.000 0.263 543 P C 0.723 177.931 177.300 -0.153 0.000 1.195 543 P CA 0.947 64.048 63.100 0.003 0.000 0.762 543 P CB 0.795 32.490 31.700 -0.009 0.000 0.799 544 G N 2.449 111.153 108.800 -0.160 0.000 2.241 544 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 544 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 544 G C 0.757 175.595 174.900 -0.104 0.000 0.998 544 G CA 0.043 45.017 45.100 -0.210 0.000 0.621 544 G HN 0.484 nan 8.290 nan 0.000 0.519 545 L N 1.044 122.215 121.223 -0.087 0.000 2.261 545 L HA 0.141 4.481 4.340 -0.000 0.000 0.216 545 L C 2.844 179.720 176.870 0.010 0.000 1.114 545 L CA 2.231 57.046 54.840 -0.042 0.000 0.777 545 L CB -0.502 41.477 42.059 -0.132 0.000 0.910 545 L HN 0.451 nan 8.230 nan 0.000 0.440 546 V N -0.484 119.402 119.914 -0.047 0.000 2.809 546 V HA -0.105 4.015 4.120 -0.000 0.000 0.256 546 V C 1.563 177.603 176.094 -0.089 0.000 1.080 546 V CA 0.706 62.959 62.300 -0.078 0.000 1.102 546 V CB -0.211 31.554 31.823 -0.097 0.000 0.705 546 V HN 0.475 nan 8.190 nan 0.000 0.475 547 L N 0.179 121.418 121.223 0.026 0.000 3.717 547 L HA -0.249 4.091 4.340 -0.000 0.000 0.414 547 L C 0.297 177.352 176.870 0.309 0.000 1.228 547 L CA 0.882 55.803 54.840 0.135 0.000 0.918 547 L CB -2.490 39.681 42.059 0.186 0.000 1.865 547 L HN 0.571 nan 8.230 nan 0.000 0.922 548 H N -0.685 118.492 119.070 0.179 0.000 2.467 548 H HA 0.279 4.835 4.556 -0.000 0.000 0.275 548 H C 0.514 175.971 175.328 0.215 0.000 1.131 548 H CA -1.063 55.129 56.048 0.240 0.000 0.989 548 H CB 0.692 30.636 29.762 0.303 0.000 1.696 548 H HN 0.200 nan 8.280 nan 0.000 0.574 549 L N 1.970 123.333 121.223 0.234 0.000 2.559 549 L HA 0.205 4.545 4.340 -0.000 0.000 0.274 549 L C 0.556 177.552 176.870 0.209 0.000 1.205 549 L CA 0.725 55.649 54.840 0.140 0.000 0.907 549 L CB 0.293 42.392 42.059 0.067 0.000 1.153 549 L HN 0.280 nan 8.230 nan 0.000 0.490 550 G N 1.973 110.908 108.800 0.224 0.000 2.730 550 G HA2 0.553 4.513 3.960 -0.000 0.000 0.289 550 G HA3 0.553 4.513 3.960 -0.000 0.000 0.289 550 G C 0.303 175.305 174.900 0.170 0.000 1.341 550 G CA -0.337 44.918 45.100 0.259 0.000 0.932 550 G HN 1.352 nan 8.290 nan 0.000 0.481 551 G N -1.316 107.551 108.800 0.113 0.000 2.179 551 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 551 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 551 G C 1.355 176.319 174.900 0.107 0.000 0.977 551 G CA 1.474 46.650 45.100 0.127 0.000 0.641 551 G HN 1.865 nan 8.290 nan 0.000 0.533 552 T N -1.783 112.788 114.554 0.028 0.000 2.995 552 T HA 0.144 4.494 4.350 -0.000 0.000 0.269 552 T C 1.059 175.856 174.700 0.162 0.000 1.091 552 T CA 1.846 64.009 62.100 0.104 0.000 1.128 552 T CB -0.311 68.632 68.868 0.125 0.000 0.891 552 T HN 1.465 nan 8.240 nan 0.000 0.492 553 H N -0.136 119.009 119.070 0.126 0.000 2.597 553 H HA 0.469 5.025 4.556 -0.000 0.000 0.225 553 H C -0.091 175.280 175.328 0.071 0.000 1.422 553 H CA -1.320 54.777 56.048 0.082 0.000 1.335 553 H CB -0.257 29.520 29.762 0.026 0.000 1.783 553 H HN 0.340 nan 8.280 nan 0.000 0.513 554 R N 0.751 121.334 120.500 0.138 0.000 2.641 554 R HA 0.306 4.646 4.340 -0.000 0.000 0.269 554 R C -0.397 175.957 176.300 0.089 0.000 1.074 554 R CA -0.692 55.458 56.100 0.084 0.000 1.133 554 R CB 0.997 31.340 30.300 0.071 0.000 1.029 554 R HN 0.468 nan 8.270 nan 0.000 0.488 555 M N 1.241 120.869 119.600 0.046 0.000 2.314 555 M HA 0.474 4.954 4.480 -0.000 0.000 0.342 555 M C -0.506 175.783 176.300 -0.019 0.000 1.171 555 M CA 0.114 55.416 55.300 0.003 0.000 1.098 555 M CB 1.744 34.319 32.600 -0.042 0.000 1.559 555 M HN 0.952 nan 8.290 nan 0.000 0.459 556 G N 1.852 110.640 108.800 -0.020 0.000 2.550 556 G HA2 0.410 4.370 3.960 -0.000 0.000 0.293 556 G HA3 0.410 4.370 3.960 -0.000 0.000 0.293 556 G C -0.955 173.920 174.900 -0.042 0.000 1.402 556 G CA -0.674 44.384 45.100 -0.069 0.000 0.784 556 G HN 0.677 nan 8.290 nan 0.000 0.482 557 F N -0.145 119.897 119.950 0.154 0.000 2.293 557 F HA 0.275 4.802 4.527 -0.000 0.000 0.297 557 F C 1.049 176.976 175.800 0.210 0.000 1.089 557 F CA 1.015 59.111 58.000 0.159 0.000 1.377 557 F CB 0.481 39.537 39.000 0.093 0.000 1.051 557 F HN 0.382 nan 8.300 nan 0.000 0.511 558 D N -0.962 119.606 120.400 0.281 0.000 2.788 558 D HA 0.122 4.762 4.640 -0.000 0.000 0.247 558 D C 0.669 176.846 176.300 -0.205 0.000 1.236 558 D CA -0.246 53.777 54.000 0.039 0.000 0.898 558 D CB 1.223 42.054 40.800 0.052 0.000 1.401 558 D HN 0.075 nan 8.370 nan 0.000 0.549 559 E N 3.258 123.002 120.200 -0.761 0.000 2.065 559 E HA -0.306 4.044 4.350 -0.000 0.000 0.201 559 E C 1.363 177.790 176.600 -0.289 0.000 1.016 559 E CA 1.411 57.334 56.400 -0.794 0.000 0.818 559 E CB 0.252 29.326 29.700 -1.043 0.000 0.749 559 E HN 0.458 nan 8.360 nan 0.000 0.453 560 K N 0.133 120.403 120.400 -0.217 0.000 2.007 560 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 560 K C 1.996 178.566 176.600 -0.050 0.000 1.047 560 K CA 1.651 57.881 56.287 -0.094 0.000 0.937 560 K CB 0.020 32.480 32.500 -0.068 0.000 0.718 560 K HN 0.103 nan 8.250 nan 0.000 0.438 561 E N 0.234 120.412 120.200 -0.036 0.000 2.204 561 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 561 E C 0.629 177.230 176.600 0.001 0.000 0.989 561 E CA 0.945 57.345 56.400 -0.001 0.000 0.824 561 E CB 0.183 29.895 29.700 0.020 0.000 0.756 561 E HN 0.343 nan 8.360 nan 0.000 0.477 562 D N 0.079 120.472 120.400 -0.011 0.000 2.440 562 D HA 0.072 4.712 4.640 -0.000 0.000 0.216 562 D C -0.683 175.554 176.300 -0.105 0.000 1.150 562 D CA -0.064 53.925 54.000 -0.019 0.000 0.832 562 D CB 0.101 40.928 40.800 0.045 0.000 0.992 562 D HN 0.085 nan 8.370 nan 0.000 0.502 563 N N 0.716 119.352 118.700 -0.106 0.000 2.667 563 N HA -0.189 4.551 4.740 -0.000 0.000 0.263 563 N C -0.136 175.288 175.510 -0.143 0.000 1.038 563 N CA 0.475 53.437 53.050 -0.147 0.000 0.749 563 N CB -1.406 36.871 38.487 -0.350 0.000 0.892 563 N HN 0.408 nan 8.380 nan 0.000 0.546 564 C N -3.364 115.933 119.300 -0.005 0.000 3.259 564 C HA 0.782 5.242 4.460 -0.000 0.000 0.328 564 C C 1.395 176.541 174.990 0.260 0.000 1.425 564 C CA -0.643 58.440 59.018 0.108 0.000 1.465 564 C CB 1.617 29.444 27.740 0.146 0.000 1.890 564 C HN 0.487 nan 8.230 nan 0.000 0.450 565 C N 0.110 119.599 119.300 0.315 0.000 2.937 565 C HA 0.489 4.949 4.460 -0.000 0.000 0.426 565 C C 0.669 175.779 174.990 0.200 0.000 1.321 565 C CA 0.645 59.850 59.018 0.311 0.000 2.082 565 C CB -0.235 27.614 27.740 0.181 0.000 2.834 565 C HN 0.952 nan 8.230 nan 0.000 0.593 566 V N 1.390 121.313 119.914 0.014 0.000 3.001 566 V HA 0.723 4.843 4.120 -0.000 0.000 0.314 566 V C -0.749 175.022 176.094 -0.539 0.000 1.099 566 V CA -0.613 61.457 62.300 -0.384 0.000 0.989 566 V CB 1.571 33.271 31.823 -0.205 0.000 1.040 566 V HN 0.425 nan 8.190 nan 0.000 0.434 567 N N 0.758 118.976 118.700 -0.803 0.000 2.514 567 N HA 0.284 5.024 4.740 -0.000 0.000 0.299 567 N C 1.009 176.368 175.510 -0.252 0.000 1.292 567 N CA 0.214 52.984 53.050 -0.467 0.000 0.963 567 N CB -0.155 38.062 38.487 -0.449 0.000 1.124 567 N HN 0.911 nan 8.380 nan 0.000 0.580 568 T N -4.676 109.771 114.554 -0.177 0.000 3.160 568 T HA 0.035 4.385 4.350 -0.000 0.000 0.257 568 T C 0.084 174.705 174.700 -0.131 0.000 1.147 568 T CA 0.542 62.542 62.100 -0.166 0.000 1.064 568 T CB -0.392 68.388 68.868 -0.147 0.000 0.949 568 T HN 0.422 nan 8.240 nan 0.000 0.526 569 D N 1.209 121.522 120.400 -0.144 0.000 2.328 569 D HA 0.163 4.803 4.640 -0.000 0.000 0.221 569 D C 0.491 176.803 176.300 0.019 0.000 1.072 569 D CA 0.118 54.059 54.000 -0.098 0.000 0.850 569 D CB 0.072 40.695 40.800 -0.296 0.000 0.922 569 D HN 0.333 nan 8.370 nan 0.000 0.516 570 S N 0.369 116.045 115.700 -0.040 0.000 3.635 570 S HA -0.258 4.212 4.470 -0.000 0.000 0.328 570 S C 0.491 175.087 174.600 -0.006 0.000 1.135 570 S CA 0.406 58.616 58.200 0.016 0.000 0.942 570 S CB -1.394 61.888 63.200 0.138 0.000 0.930 570 S HN 0.459 nan 8.310 nan 0.000 0.512 571 R N 1.009 121.373 120.500 -0.226 0.000 2.312 571 R HA 0.491 4.831 4.340 -0.000 0.000 0.311 571 R C -0.098 175.901 176.300 -0.503 0.000 1.004 571 R CA -0.483 55.292 56.100 -0.541 0.000 0.902 571 R CB 0.760 30.703 30.300 -0.594 0.000 1.073 571 R HN 0.143 nan 8.270 nan 0.000 0.457 572 V N 6.206 125.860 119.914 -0.432 0.000 2.529 572 V HA 0.019 4.139 4.120 -0.000 0.000 0.292 572 V C 0.157 176.205 176.094 -0.077 0.000 1.028 572 V CA 0.179 62.316 62.300 -0.272 0.000 1.074 572 V CB -0.062 31.582 31.823 -0.298 0.000 0.958 572 V HN 0.576 nan 8.190 nan 0.000 0.481 573 F N 4.070 124.060 119.950 0.067 0.000 2.623 573 F HA 0.390 4.917 4.527 -0.000 0.000 0.383 573 F C 1.552 177.485 175.800 0.220 0.000 1.077 573 F CA 1.565 59.629 58.000 0.105 0.000 1.268 573 F CB -0.004 39.052 39.000 0.092 0.000 1.053 573 F HN 0.787 nan 8.300 nan 0.000 0.571 574 G N 2.275 111.254 108.800 0.299 0.000 2.258 574 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.233 574 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.233 574 G C -0.099 174.735 174.900 -0.110 0.000 1.006 574 G CA -0.505 44.661 45.100 0.111 0.000 0.620 574 G HN 0.435 nan 8.290 nan 0.000 0.511 575 F N 0.900 120.876 119.950 0.045 0.000 2.427 575 F HA 0.694 5.221 4.527 -0.000 0.000 0.346 575 F C 1.150 176.945 175.800 -0.009 0.000 1.120 575 F CA -0.935 57.079 58.000 0.023 0.000 1.033 575 F CB 1.896 40.907 39.000 0.017 0.000 1.126 575 F HN -0.232 nan 8.300 nan 0.000 0.462 576 K N 1.454 121.957 120.400 0.172 0.000 2.217 576 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 576 K C 0.901 177.712 176.600 0.352 0.000 1.051 576 K CA 0.803 57.230 56.287 0.233 0.000 0.952 576 K CB -0.234 32.410 32.500 0.239 0.000 0.736 576 K HN 0.606 nan 8.250 nan 0.000 0.453 577 N N -0.312 118.551 118.700 0.272 0.000 2.307 577 N HA 0.057 4.797 4.740 -0.000 0.000 0.248 577 N C -0.871 174.728 175.510 0.149 0.000 1.322 577 N CA -0.379 52.857 53.050 0.311 0.000 0.861 577 N CB -0.017 38.706 38.487 0.393 0.000 1.303 577 N HN -0.026 nan 8.380 nan 0.000 0.498 578 L N 0.677 121.789 121.223 -0.184 0.000 2.356 578 L HA 0.712 5.052 4.340 -0.000 0.000 0.277 578 L C -1.823 174.672 176.870 -0.625 0.000 0.996 578 L CA -0.636 54.066 54.840 -0.228 0.000 0.822 578 L CB 0.887 42.799 42.059 -0.245 0.000 1.256 578 L HN -0.025 nan 8.230 nan 0.000 0.413 579 F N 4.987 124.858 119.950 -0.131 0.000 2.551 579 F HA 0.659 5.186 4.527 -0.000 0.000 0.316 579 F C -0.615 175.039 175.800 -0.243 0.000 1.089 579 F CA -0.674 57.229 58.000 -0.160 0.000 0.915 579 F CB 1.865 40.798 39.000 -0.112 0.000 1.186 579 F HN 0.198 nan 8.300 nan 0.000 0.456 580 L N 2.071 123.254 121.223 -0.068 0.000 2.346 580 L HA 0.879 5.219 4.340 -0.000 0.000 0.276 580 L C 0.115 177.000 176.870 0.024 0.000 1.006 580 L CA -0.818 53.920 54.840 -0.170 0.000 0.817 580 L CB 1.870 43.688 42.059 -0.402 0.000 1.272 580 L HN 0.781 nan 8.230 nan 0.000 0.421 581 G N 0.316 109.144 108.800 0.047 0.000 2.481 581 G HA2 0.797 4.757 3.960 -0.000 0.000 0.315 581 G HA3 0.797 4.757 3.960 -0.000 0.000 0.315 581 G C -0.427 174.602 174.900 0.215 0.000 1.231 581 G CA -0.302 44.930 45.100 0.221 0.000 0.968 581 G HN 0.971 nan 8.290 nan 0.000 0.482 582 G N -1.397 107.519 108.800 0.194 0.000 2.371 582 G HA2 0.020 3.980 3.960 -0.000 0.000 0.663 582 G HA3 0.020 3.980 3.960 -0.000 0.000 0.663 582 G C 0.782 175.735 174.900 0.089 0.000 1.311 582 G CA 0.002 45.189 45.100 0.146 0.000 0.985 582 G HN 1.178 nan 8.290 nan 0.000 0.566 583 C N 0.703 120.032 119.300 0.049 0.000 2.419 583 C HA 0.174 4.634 4.460 -0.000 0.000 0.283 583 C C 3.093 178.059 174.990 -0.040 0.000 1.373 583 C CA 1.835 60.862 59.018 0.014 0.000 1.781 583 C CB -1.416 26.369 27.740 0.075 0.000 1.886 583 C HN 1.354 nan 8.230 nan 0.000 0.520 584 G N 1.339 110.019 108.800 -0.200 0.000 2.485 584 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.221 584 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.221 584 G C 1.431 175.988 174.900 -0.571 0.000 1.115 584 G CA 1.009 45.707 45.100 -0.669 0.000 0.751 584 G HN 0.568 nan 8.290 nan 0.000 0.567 585 N N 0.335 118.908 118.700 -0.213 0.000 2.331 585 N HA 0.021 4.761 4.740 -0.000 0.000 0.180 585 N C 0.961 176.479 175.510 0.012 0.000 1.019 585 N CA 0.142 53.193 53.050 0.002 0.000 0.881 585 N CB -0.008 38.532 38.487 0.089 0.000 0.972 585 N HN 0.317 nan 8.380 nan 0.000 0.435 586 I N 3.008 123.586 120.570 0.012 0.000 2.587 586 I HA 0.014 4.184 4.170 -0.000 0.000 0.284 586 I C -1.340 174.859 176.117 0.137 0.000 1.134 586 I CA -0.842 60.493 61.300 0.058 0.000 1.410 586 I CB 1.061 39.044 38.000 -0.028 0.000 1.392 586 I HN -0.038 nan 8.210 nan 0.000 0.545 587 P HA 0.077 nan 4.420 nan 0.000 0.275 587 P C 0.188 177.576 177.300 0.147 0.000 1.310 587 P CA 0.168 63.336 63.100 0.114 0.000 0.904 587 P CB 0.314 32.042 31.700 0.047 0.000 1.381 588 T N -2.153 112.521 114.554 0.199 0.000 2.884 588 T HA 0.690 5.040 4.350 -0.000 0.000 0.277 588 T C 0.175 175.007 174.700 0.218 0.000 0.976 588 T CA -0.866 61.340 62.100 0.177 0.000 0.956 588 T CB 1.105 70.059 68.868 0.143 0.000 1.113 588 T HN 0.042 nan 8.240 nan 0.000 0.554 589 A N 1.646 124.534 122.820 0.114 0.000 2.310 589 A HA 0.614 4.934 4.320 -0.000 0.000 0.300 589 A C -0.672 176.891 177.584 -0.035 0.000 1.269 589 A CA -0.850 51.207 52.037 0.035 0.000 0.909 589 A CB -0.895 18.139 19.000 0.057 0.000 1.144 589 A HN 0.857 nan 8.150 nan 0.000 0.540 590 Y N -0.347 119.879 120.300 -0.123 0.000 2.499 590 Y HA 0.741 5.291 4.550 -0.000 0.000 0.347 590 Y C 0.699 176.492 175.900 -0.179 0.000 0.987 590 Y CA -0.721 57.143 58.100 -0.392 0.000 1.044 590 Y CB 1.447 39.489 38.460 -0.697 0.000 1.245 590 Y HN 0.385 nan 8.280 nan 0.000 0.461 591 G N 0.372 109.086 108.800 -0.143 0.000 2.747 591 G HA2 0.418 4.378 3.960 -0.000 0.000 0.202 591 G HA3 0.418 4.378 3.960 -0.000 0.000 0.202 591 G C 0.414 175.390 174.900 0.127 0.000 1.090 591 G CA 0.181 45.377 45.100 0.160 0.000 0.779 591 G HN 0.955 nan 8.290 nan 0.000 0.535 592 A N 0.737 123.456 122.820 -0.168 0.000 2.327 592 A HA 0.505 4.824 4.320 -0.000 0.000 0.255 592 A C -0.075 177.434 177.584 -0.125 0.000 1.099 592 A CA -0.441 51.380 52.037 -0.361 0.000 0.801 592 A CB 0.042 18.804 19.000 -0.397 0.000 1.062 592 A HN 0.352 nan 8.150 nan 0.000 0.496 593 N N 1.268 119.770 118.700 -0.330 0.000 2.497 593 N HA 0.289 5.029 4.740 -0.000 0.000 0.268 593 N C -2.086 173.350 175.510 -0.124 0.000 1.171 593 N CA -1.007 51.819 53.050 -0.374 0.000 0.948 593 N CB 0.530 38.863 38.487 -0.258 0.000 1.069 593 N HN 0.386 nan 8.380 nan 0.000 0.460 594 P HA 0.018 nan 4.420 nan 0.000 0.239 594 P C 0.477 177.680 177.300 -0.161 0.000 1.188 594 P CA 0.629 63.637 63.100 -0.154 0.000 0.794 594 P CB 0.315 31.922 31.700 -0.155 0.000 0.937 595 T N 0.915 115.456 114.554 -0.021 0.000 2.788 595 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 595 T C 1.743 176.542 174.700 0.166 0.000 1.044 595 T CA 0.902 63.054 62.100 0.086 0.000 1.139 595 T CB -0.768 68.193 68.868 0.155 0.000 0.867 595 T HN 0.010 nan 8.240 nan 0.000 0.454 596 L N 1.045 122.374 121.223 0.178 0.000 2.083 596 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 596 L C 2.475 179.428 176.870 0.138 0.000 1.083 596 L CA 1.632 56.629 54.840 0.261 0.000 0.752 596 L CB -0.915 41.273 42.059 0.214 0.000 0.899 596 L HN 0.174 nan 8.230 nan 0.000 0.433 597 T N -0.541 113.959 114.554 -0.090 0.000 2.812 597 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 597 T C 1.917 176.543 174.700 -0.123 0.000 1.042 597 T CA 1.136 63.107 62.100 -0.216 0.000 1.140 597 T CB -0.429 67.909 68.868 -0.884 0.000 0.870 597 T HN 0.493 nan 8.240 nan 0.000 0.445 598 A N 1.675 124.423 122.820 -0.120 0.000 1.908 598 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 598 A C 2.315 179.872 177.584 -0.046 0.000 1.181 598 A CA 1.859 53.863 52.037 -0.055 0.000 0.627 598 A CB -0.774 18.213 19.000 -0.022 0.000 0.818 598 A HN 0.518 nan 8.150 nan 0.000 0.445 599 M N -0.186 119.397 119.600 -0.029 0.000 2.108 599 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 599 M C 2.116 178.331 176.300 -0.142 0.000 1.066 599 M CA 2.180 57.432 55.300 -0.080 0.000 1.107 599 M CB -0.167 32.391 32.600 -0.070 0.000 1.356 599 M HN 0.389 nan 8.290 nan 0.000 0.406 600 S N 1.046 116.665 115.700 -0.135 0.000 2.368 600 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 600 S C 1.749 176.163 174.600 -0.310 0.000 1.030 600 S CA 1.340 59.395 58.200 -0.241 0.000 0.999 600 S CB -0.510 62.508 63.200 -0.303 0.000 0.844 600 S HN 0.518 nan 8.310 nan 0.000 0.459 601 L N 1.113 122.191 121.223 -0.242 0.000 2.083 601 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 601 L C 2.788 179.535 176.870 -0.206 0.000 1.083 601 L CA 1.219 55.925 54.840 -0.224 0.000 0.752 601 L CB -0.728 41.266 42.059 -0.108 0.000 0.899 601 L HN 0.333 nan 8.230 nan 0.000 0.433 602 A N 0.302 122.991 122.820 -0.219 0.000 1.898 602 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 602 A C 2.212 179.489 177.584 -0.512 0.000 1.181 602 A CA 1.334 53.127 52.037 -0.406 0.000 0.620 602 A CB -0.579 18.170 19.000 -0.417 0.000 0.819 602 A HN 0.328 nan 8.150 nan 0.000 0.442 603 I N -0.412 119.945 120.570 -0.354 0.000 2.163 603 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 603 I C 2.540 178.502 176.117 -0.259 0.000 1.085 603 I CA 1.964 63.087 61.300 -0.294 0.000 1.347 603 I CB -0.249 37.596 38.000 -0.257 0.000 1.044 603 I HN 0.382 nan 8.210 nan 0.000 0.408 604 K N 0.537 120.781 120.400 -0.260 0.000 2.032 604 K HA -0.247 4.072 4.320 -0.000 0.000 0.209 604 K C 2.365 178.886 176.600 -0.132 0.000 1.048 604 K CA 1.966 58.129 56.287 -0.207 0.000 0.927 604 K CB -0.179 32.161 32.500 -0.265 0.000 0.712 604 K HN 0.142 nan 8.250 nan 0.000 0.441 605 S N 0.030 115.639 115.700 -0.151 0.000 2.359 605 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 605 S C 2.094 176.623 174.600 -0.118 0.000 1.035 605 S CA 1.603 59.763 58.200 -0.066 0.000 1.018 605 S CB -0.579 62.618 63.200 -0.005 0.000 0.876 605 S HN 0.588 nan 8.310 nan 0.000 0.448 606 C N 1.583 120.728 119.300 -0.257 0.000 2.413 606 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 606 C C 2.497 177.417 174.990 -0.116 0.000 1.265 606 C CA 0.920 59.799 59.018 -0.232 0.000 1.752 606 C CB -1.606 25.957 27.740 -0.294 0.000 1.998 606 C HN 0.687 nan 8.230 nan 0.000 0.489 607 E N -0.581 119.569 120.200 -0.083 0.000 2.058 607 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 607 E C 1.877 178.484 176.600 0.011 0.000 0.997 607 E CA 1.684 58.065 56.400 -0.033 0.000 0.801 607 E CB -0.372 29.302 29.700 -0.044 0.000 0.746 607 E HN 0.837 nan 8.360 nan 0.000 0.450 608 Y N 1.255 121.529 120.300 -0.043 0.000 2.181 608 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 608 Y C 1.972 177.909 175.900 0.062 0.000 1.146 608 Y CA 1.394 59.510 58.100 0.026 0.000 1.164 608 Y CB -0.043 38.468 38.460 0.084 0.000 0.982 608 Y HN -0.047 nan 8.280 nan 0.000 0.515 609 I N 0.165 120.750 120.570 0.025 0.000 2.226 609 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 609 I C 2.205 178.385 176.117 0.105 0.000 1.100 609 I CA 1.612 62.935 61.300 0.037 0.000 1.374 609 I CB -0.406 37.423 38.000 -0.285 0.000 1.057 609 I HN 0.140 nan 8.210 nan 0.000 0.413 610 K N 0.535 120.965 120.400 0.050 0.000 2.152 610 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 610 K C 2.012 178.638 176.600 0.043 0.000 1.048 610 K CA 1.293 57.662 56.287 0.136 0.000 0.933 610 K CB -0.175 32.383 32.500 0.096 0.000 0.721 610 K HN 0.419 nan 8.250 nan 0.000 0.447 611 Q N -0.117 119.636 119.800 -0.078 0.000 2.435 611 Q HA 0.038 4.378 4.340 -0.000 0.000 0.207 611 Q C 0.940 176.798 176.000 -0.236 0.000 0.956 611 Q CA 0.571 56.284 55.803 -0.150 0.000 0.917 611 Q CB 0.353 28.971 28.738 -0.199 0.000 0.997 611 Q HN 0.296 nan 8.270 nan 0.000 0.497 612 N N -1.235 117.297 118.700 -0.281 0.000 2.113 612 N HA 0.138 4.878 4.740 -0.000 0.000 0.223 612 N C -0.994 174.105 175.510 -0.684 0.000 1.310 612 N CA 0.230 52.976 53.050 -0.506 0.000 0.896 612 N CB 1.101 39.133 38.487 -0.757 0.000 1.097 612 N HN -0.005 nan 8.380 nan 0.000 0.507 613 F N 0.724 120.702 119.950 0.048 0.000 2.561 613 F HA 0.329 4.856 4.527 -0.000 0.000 0.313 613 F C 0.020 175.937 175.800 0.196 0.000 1.126 613 F CA -0.630 57.459 58.000 0.147 0.000 0.918 613 F CB 1.864 40.977 39.000 0.188 0.000 1.199 613 F HN -0.375 nan 8.300 nan 0.000 0.444 614 T N 4.381 119.077 114.554 0.236 0.000 2.767 614 T HA 0.396 4.746 4.350 -0.000 0.000 0.288 614 T C -2.489 172.220 174.700 0.016 0.000 0.963 614 T CA -1.384 60.759 62.100 0.071 0.000 1.019 614 T CB 0.966 69.847 68.868 0.022 0.000 0.923 614 T HN 0.137 nan 8.240 nan 0.000 0.468 615 P HA 0.138 nan 4.420 nan 0.000 0.269 615 P C -0.030 177.211 177.300 -0.099 0.000 1.209 615 P CA -0.478 62.408 63.100 -0.355 0.000 0.776 615 P CB 0.291 31.613 31.700 -0.629 0.000 0.876 616 S N 2.393 118.085 115.700 -0.013 0.000 2.572 616 S HA 0.299 4.768 4.470 -0.000 0.000 0.279 616 S C -2.193 172.415 174.600 0.014 0.000 1.341 616 S CA -1.011 57.196 58.200 0.011 0.000 1.043 616 S CB -0.818 62.395 63.200 0.022 0.000 0.887 616 S HN 0.246 nan 8.310 nan 0.000 0.516 617 P HA 0.178 nan 4.420 nan 0.000 0.264 617 P C -0.674 176.689 177.300 0.105 0.000 1.183 617 P CA -0.092 63.041 63.100 0.054 0.000 0.763 617 P CB 0.100 31.823 31.700 0.039 0.000 0.807 618 F N 0.000 119.935 119.950 -0.025 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 618 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574