REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2igo_1_D DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.245 176.300 -0.091 0.000 1.140 43 M CA 0.000 55.221 55.300 -0.131 0.000 0.988 43 M CB 0.000 32.331 32.600 -0.449 0.000 1.302 44 D N 3.161 123.548 120.400 -0.021 0.000 2.364 44 D HA 0.215 4.856 4.640 0.001 0.000 0.236 44 D C 0.871 177.087 176.300 -0.140 0.000 1.221 44 D CA 0.284 54.182 54.000 -0.169 0.000 0.891 44 D CB 0.736 41.263 40.800 -0.455 0.000 1.190 44 D HN 0.577 nan 8.370 nan 0.000 0.449 45 I N -2.453 118.019 120.570 -0.164 0.000 4.240 45 I HA 0.267 4.438 4.170 0.001 0.000 0.331 45 I C 0.207 176.301 176.117 -0.039 0.000 1.381 45 I CA -0.402 60.874 61.300 -0.041 0.000 1.136 45 I CB -0.269 37.719 38.000 -0.021 0.000 1.137 45 I HN -0.003 nan 8.210 nan 0.000 0.411 46 K N 0.963 121.222 120.400 -0.234 0.000 2.323 46 K HA 0.630 4.951 4.320 0.001 0.000 0.259 46 K C -1.764 174.554 176.600 -0.471 0.000 0.947 46 K CA -0.365 55.806 56.287 -0.194 0.000 0.819 46 K CB 1.088 33.532 32.500 -0.095 0.000 1.109 46 K HN 0.076 nan 8.250 nan 0.000 0.429 47 Y N 1.314 121.602 120.300 -0.020 0.000 2.602 47 Y HA 0.255 4.806 4.550 0.001 0.000 0.342 47 Y C 0.635 176.506 175.900 -0.049 0.000 1.029 47 Y CA -0.731 57.349 58.100 -0.033 0.000 1.080 47 Y CB 1.869 40.311 38.460 -0.030 0.000 1.284 47 Y HN 0.640 nan 8.280 nan 0.000 0.485 48 D N 0.124 120.604 120.400 0.134 0.000 2.120 48 D HA 0.025 4.666 4.640 0.001 0.000 0.202 48 D C -0.311 175.974 176.300 -0.026 0.000 0.972 48 D CA 1.412 55.471 54.000 0.098 0.000 0.837 48 D CB 0.234 41.170 40.800 0.227 0.000 0.989 48 D HN 0.116 nan 8.370 nan 0.000 0.469 49 V N 1.453 121.343 119.914 -0.039 0.000 2.531 49 V HA 0.379 4.499 4.120 0.001 0.000 0.301 49 V C -0.140 175.858 176.094 -0.160 0.000 1.034 49 V CA -1.054 61.130 62.300 -0.193 0.000 0.865 49 V CB 2.250 33.924 31.823 -0.247 0.000 0.995 49 V HN -0.018 nan 8.190 nan 0.000 0.424 50 V N 3.058 122.837 119.914 -0.225 0.000 2.581 50 V HA 0.760 4.880 4.120 0.001 0.000 0.303 50 V C -0.565 175.477 176.094 -0.087 0.000 1.041 50 V CA -0.615 61.619 62.300 -0.109 0.000 0.907 50 V CB 1.710 33.538 31.823 0.008 0.000 0.994 50 V HN 0.692 nan 8.190 nan 0.000 0.442 51 I N 3.786 124.334 120.570 -0.036 0.000 2.466 51 I HA 0.484 4.654 4.170 0.001 0.000 0.289 51 I C -0.664 175.479 176.117 0.042 0.000 1.026 51 I CA -0.958 60.301 61.300 -0.069 0.000 1.078 51 I CB 2.298 40.235 38.000 -0.105 0.000 1.249 51 I HN 0.421 nan 8.210 nan 0.000 0.429 52 V N 5.242 125.164 119.914 0.014 0.000 2.348 52 V HA 0.789 4.910 4.120 0.001 0.000 0.270 52 V C 0.486 176.589 176.094 0.015 0.000 1.037 52 V CA -0.228 62.103 62.300 0.051 0.000 0.872 52 V CB 0.526 32.351 31.823 0.003 0.000 1.002 52 V HN 1.073 nan 8.190 nan 0.000 0.464 53 G N 3.976 112.802 108.800 0.042 0.000 2.906 53 G HA2 -0.018 3.943 3.960 0.001 0.000 0.686 53 G HA3 -0.018 3.943 3.960 0.001 0.000 0.686 53 G C -0.059 174.859 174.900 0.029 0.000 1.170 53 G CA -0.256 44.861 45.100 0.027 0.000 0.775 53 G HN 1.288 nan 8.290 nan 0.000 0.630 54 S N 0.995 116.716 115.700 0.035 0.000 2.588 54 S HA 0.611 5.082 4.470 0.001 0.000 0.245 54 S C 1.293 175.911 174.600 0.031 0.000 1.021 54 S CA 0.713 58.941 58.200 0.046 0.000 1.006 54 S CB 0.664 63.902 63.200 0.063 0.000 0.830 54 S HN 1.895 nan 8.310 nan 0.000 0.468 55 G N 2.707 111.517 108.800 0.017 0.000 2.525 55 G HA2 0.400 4.361 3.960 0.001 0.000 0.276 55 G HA3 0.400 4.361 3.960 0.001 0.000 0.276 55 G C -1.187 173.704 174.900 -0.016 0.000 1.388 55 G CA -1.270 43.826 45.100 -0.007 0.000 1.050 55 G HN 0.242 nan 8.290 nan 0.000 0.520 56 P HA -0.064 nan 4.420 nan 0.000 0.220 56 P C 1.732 178.995 177.300 -0.062 0.000 1.148 56 P CA 0.833 63.898 63.100 -0.057 0.000 0.803 56 P CB 0.160 31.848 31.700 -0.020 0.000 0.782 57 I N 0.120 120.685 120.570 -0.007 0.000 2.277 57 I HA -0.033 4.137 4.170 0.001 0.000 0.243 57 I C 2.732 178.916 176.117 0.111 0.000 1.094 57 I CA 1.569 62.896 61.300 0.045 0.000 1.393 57 I CB -2.385 35.666 38.000 0.086 0.000 1.078 57 I HN -0.004 nan 8.210 nan 0.000 0.417 58 G N 0.437 109.275 108.800 0.063 0.000 2.442 58 G HA2 -0.245 3.716 3.960 0.001 0.000 0.219 58 G HA3 -0.245 3.716 3.960 0.001 0.000 0.219 58 G C 1.731 176.629 174.900 -0.003 0.000 1.141 58 G CA 1.069 46.192 45.100 0.038 0.000 0.763 58 G HN 0.422 nan 8.290 nan 0.000 0.554 59 C N 0.500 119.778 119.300 -0.036 0.000 2.448 59 C HA 0.074 4.535 4.460 0.001 0.000 0.280 59 C C 3.148 178.010 174.990 -0.213 0.000 1.398 59 C CA 1.239 60.190 59.018 -0.112 0.000 1.774 59 C CB -0.884 26.845 27.740 -0.018 0.000 1.888 59 C HN 0.443 nan 8.230 nan 0.000 0.519 60 T N 0.041 114.502 114.554 -0.155 0.000 2.737 60 T HA -0.144 4.207 4.350 0.001 0.000 0.265 60 T C 1.462 176.016 174.700 -0.243 0.000 1.038 60 T CA 1.563 63.540 62.100 -0.204 0.000 1.144 60 T CB -0.387 68.381 68.868 -0.167 0.000 0.866 60 T HN 0.560 nan 8.240 nan 0.000 0.434 61 Y N 1.497 121.657 120.300 -0.234 0.000 2.181 61 Y HA -0.042 4.508 4.550 0.001 0.000 0.288 61 Y C 2.740 178.417 175.900 -0.372 0.000 1.146 61 Y CA 0.886 58.826 58.100 -0.266 0.000 1.164 61 Y CB -0.636 37.685 38.460 -0.232 0.000 0.982 61 Y HN 0.193 nan 8.280 nan 0.000 0.515 62 A N 0.273 122.895 122.820 -0.329 0.000 1.858 62 A HA -0.243 4.078 4.320 0.001 0.000 0.216 62 A C 2.294 179.291 177.584 -0.979 0.000 1.190 62 A CA 1.893 53.478 52.037 -0.752 0.000 0.617 62 A CB -0.812 17.478 19.000 -1.183 0.000 0.827 62 A HN 0.406 nan 8.150 nan 0.000 0.443 63 R N -0.466 119.488 120.500 -0.911 0.000 2.094 63 R HA -0.189 4.152 4.340 0.001 0.000 0.239 63 R C 2.140 178.218 176.300 -0.369 0.000 1.137 63 R CA 1.918 57.660 56.100 -0.598 0.000 0.943 63 R CB -0.332 29.666 30.300 -0.503 0.000 0.850 63 R HN 0.602 nan 8.270 nan 0.000 0.433 64 E N 0.377 120.393 120.200 -0.307 0.000 2.031 64 E HA -0.202 4.149 4.350 0.001 0.000 0.193 64 E C 2.139 178.662 176.600 -0.127 0.000 0.994 64 E CA 1.389 57.687 56.400 -0.170 0.000 0.800 64 E CB -0.143 29.457 29.700 -0.166 0.000 0.752 64 E HN 0.427 nan 8.360 nan 0.000 0.447 65 L N 0.253 121.371 121.223 -0.174 0.000 2.209 65 L HA -0.053 4.287 4.340 0.001 0.000 0.207 65 L C 2.517 179.407 176.870 0.033 0.000 1.094 65 L CA 0.210 54.988 54.840 -0.102 0.000 0.790 65 L CB -0.158 41.738 42.059 -0.272 0.000 0.932 65 L HN -0.051 nan 8.230 nan 0.000 0.447 66 V N 0.434 120.284 119.914 -0.107 0.000 2.427 66 V HA -0.166 3.955 4.120 0.001 0.000 0.248 66 V C 2.604 178.710 176.094 0.019 0.000 1.051 66 V CA 1.993 64.272 62.300 -0.034 0.000 1.048 66 V CB -1.040 30.700 31.823 -0.137 0.000 0.666 66 V HN 0.551 nan 8.190 nan 0.000 0.456 67 G N -0.453 108.335 108.800 -0.020 0.000 2.432 67 G HA2 -0.138 3.823 3.960 0.001 0.000 0.219 67 G HA3 -0.138 3.823 3.960 0.001 0.000 0.219 67 G C 1.503 176.424 174.900 0.034 0.000 1.135 67 G CA 0.838 45.943 45.100 0.008 0.000 0.767 67 G HN 0.619 nan 8.290 nan 0.000 0.550 68 A N -0.518 122.346 122.820 0.073 0.000 2.251 68 A HA 0.482 4.803 4.320 0.001 0.000 0.209 68 A C 1.936 179.533 177.584 0.021 0.000 1.187 68 A CA 1.251 53.344 52.037 0.093 0.000 0.823 68 A CB -0.343 18.785 19.000 0.212 0.000 0.846 68 A HN 1.550 nan 8.150 nan 0.000 0.486 69 G N -2.327 106.493 108.800 0.034 0.000 2.159 69 G HA2 -0.258 3.703 3.960 0.001 0.000 0.227 69 G HA3 -0.258 3.703 3.960 0.001 0.000 0.227 69 G C -0.036 174.802 174.900 -0.103 0.000 0.986 69 G CA 0.084 45.158 45.100 -0.043 0.000 0.651 69 G HN 0.392 nan 8.290 nan 0.000 0.523 70 Y N 0.473 120.755 120.300 -0.030 0.000 2.379 70 Y HA 0.412 4.963 4.550 0.001 0.000 0.337 70 Y C 1.108 176.982 175.900 -0.044 0.000 1.238 70 Y CA 0.219 58.298 58.100 -0.035 0.000 1.405 70 Y CB 0.669 39.104 38.460 -0.041 0.000 1.310 70 Y HN 0.146 nan 8.280 nan 0.000 0.569 71 K N 2.487 122.955 120.400 0.113 0.000 2.262 71 K HA 0.410 4.730 4.320 0.001 0.000 0.288 71 K C -1.592 175.106 176.600 0.163 0.000 1.090 71 K CA -0.155 56.173 56.287 0.069 0.000 0.918 71 K CB -0.043 32.458 32.500 0.002 0.000 1.139 71 K HN 0.495 nan 8.250 nan 0.000 0.462 72 V N 3.594 123.589 119.914 0.136 0.000 2.435 72 V HA 0.585 4.706 4.120 0.001 0.000 0.290 72 V C -0.140 175.873 176.094 -0.136 0.000 1.030 72 V CA -0.816 61.522 62.300 0.064 0.000 0.881 72 V CB 1.309 33.211 31.823 0.132 0.000 0.983 72 V HN 0.909 nan 8.190 nan 0.000 0.445 73 A N 5.833 128.416 122.820 -0.396 0.000 2.340 73 A HA 0.946 5.267 4.320 0.001 0.000 0.331 73 A C -0.619 176.631 177.584 -0.557 0.000 1.140 73 A CA -0.654 50.922 52.037 -0.768 0.000 0.801 73 A CB 1.525 19.739 19.000 -1.310 0.000 1.234 73 A HN 0.919 nan 8.150 nan 0.000 0.469 74 M N 2.123 121.296 119.600 -0.711 0.000 2.327 74 M HA 0.731 5.212 4.480 0.001 0.000 0.298 74 M C -2.212 173.752 176.300 -0.561 0.000 1.065 74 M CA -0.373 54.702 55.300 -0.375 0.000 0.916 74 M CB 1.175 33.743 32.600 -0.053 0.000 1.630 74 M HN 0.574 nan 8.290 nan 0.000 0.442 75 F N 2.401 122.337 119.950 -0.024 0.000 2.469 75 F HA 0.555 5.083 4.527 0.001 0.000 0.332 75 F C -0.139 175.655 175.800 -0.011 0.000 1.103 75 F CA -0.445 57.559 58.000 0.007 0.000 0.979 75 F CB 1.476 40.459 39.000 -0.029 0.000 1.137 75 F HN 0.469 nan 8.300 nan 0.000 0.463 76 D N 3.106 123.588 120.400 0.137 0.000 2.787 76 D HA 0.230 4.871 4.640 0.001 0.000 0.246 76 D C 0.599 176.921 176.300 0.037 0.000 1.150 76 D CA -0.307 53.731 54.000 0.064 0.000 0.864 76 D CB 2.394 43.215 40.800 0.035 0.000 1.481 76 D HN 0.646 nan 8.370 nan 0.000 0.509 77 I N 2.025 122.572 120.570 -0.038 0.000 2.614 77 I HA 0.005 4.176 4.170 0.001 0.000 0.258 77 I C 1.091 177.169 176.117 -0.066 0.000 1.189 77 I CA 0.718 61.953 61.300 -0.109 0.000 1.462 77 I CB 0.176 37.989 38.000 -0.313 0.000 1.092 77 I HN 0.310 nan 8.210 nan 0.000 0.442 78 G N 0.072 108.851 108.800 -0.034 0.000 2.537 78 G HA2 0.381 4.342 3.960 0.001 0.000 0.297 78 G HA3 0.381 4.342 3.960 0.001 0.000 0.297 78 G C -0.855 174.060 174.900 0.025 0.000 1.310 78 G CA -0.425 44.678 45.100 0.005 0.000 1.027 78 G HN 0.313 nan 8.290 nan 0.000 0.505 79 E N -1.311 118.909 120.200 0.034 0.000 2.320 79 E HA 0.366 4.717 4.350 0.001 0.000 0.264 79 E C -0.457 176.163 176.600 0.034 0.000 0.923 79 E CA -0.753 55.668 56.400 0.035 0.000 0.796 79 E CB 2.592 32.315 29.700 0.040 0.000 1.262 79 E HN 0.262 nan 8.360 nan 0.000 0.428 80 I N 2.489 123.077 120.570 0.029 0.000 2.598 80 I HA -0.010 4.161 4.170 0.001 0.000 0.284 80 I C -0.092 176.049 176.117 0.041 0.000 1.140 80 I CA 0.752 62.071 61.300 0.032 0.000 1.420 80 I CB 0.196 38.209 38.000 0.021 0.000 1.387 80 I HN 0.577 nan 8.210 nan 0.000 0.553 81 D N 3.033 123.464 120.400 0.052 0.000 3.629 81 D HA 0.017 4.658 4.640 0.001 0.000 0.306 81 D C -0.308 176.043 176.300 0.085 0.000 1.431 81 D CA -0.321 53.717 54.000 0.063 0.000 0.748 81 D CB -0.176 40.659 40.800 0.058 0.000 1.315 81 D HN 0.244 nan 8.370 nan 0.000 0.667 82 S N -0.191 115.562 115.700 0.089 0.000 2.754 82 S HA 0.632 5.103 4.470 0.001 0.000 0.247 82 S C 0.919 175.588 174.600 0.115 0.000 1.031 82 S CA 0.087 58.358 58.200 0.118 0.000 1.014 82 S CB 0.855 64.126 63.200 0.118 0.000 0.918 82 S HN 0.918 nan 8.310 nan 0.000 0.519 83 G N 1.615 110.470 108.800 0.092 0.000 2.584 83 G HA2 -0.238 3.723 3.960 0.001 0.000 0.229 83 G HA3 -0.238 3.723 3.960 0.001 0.000 0.229 83 G C 0.382 175.315 174.900 0.056 0.000 1.320 83 G CA -0.179 44.967 45.100 0.077 0.000 0.891 83 G HN 0.297 nan 8.290 nan 0.000 0.573 84 L N 0.345 121.596 121.223 0.047 0.000 2.201 84 L HA 0.080 4.421 4.340 0.001 0.000 0.212 84 L C 1.568 178.451 176.870 0.022 0.000 1.105 84 L CA 1.222 56.079 54.840 0.028 0.000 0.775 84 L CB -0.366 41.705 42.059 0.020 0.000 0.913 84 L HN 0.327 nan 8.230 nan 0.000 0.440 85 K N 1.737 122.160 120.400 0.039 0.000 2.273 85 K HA 0.312 4.633 4.320 0.001 0.000 0.287 85 K C -0.334 176.289 176.600 0.037 0.000 1.089 85 K CA -0.197 56.109 56.287 0.032 0.000 0.909 85 K CB 0.784 33.318 32.500 0.057 0.000 1.123 85 K HN 0.096 nan 8.250 nan 0.000 0.473 86 I N 2.060 122.635 120.570 0.010 0.000 2.598 86 I HA -0.054 4.117 4.170 0.001 0.000 0.284 86 I C 1.318 177.454 176.117 0.031 0.000 1.140 86 I CA 0.723 62.033 61.300 0.017 0.000 1.420 86 I CB 0.368 38.367 38.000 -0.002 0.000 1.387 86 I HN 0.952 nan 8.210 nan 0.000 0.553 87 G N 4.368 113.199 108.800 0.052 0.000 2.160 87 G HA2 -0.192 3.769 3.960 0.001 0.000 0.251 87 G HA3 -0.192 3.769 3.960 0.001 0.000 0.251 87 G C 0.270 175.224 174.900 0.089 0.000 1.008 87 G CA 0.117 45.253 45.100 0.061 0.000 0.724 87 G HN 0.952 nan 8.290 nan 0.000 0.514 88 A N -0.608 122.281 122.820 0.114 0.000 2.246 88 A HA 0.681 5.001 4.320 0.001 0.000 0.291 88 A C 0.522 178.237 177.584 0.219 0.000 1.103 88 A CA -0.401 51.741 52.037 0.174 0.000 0.844 88 A CB 0.389 19.493 19.000 0.172 0.000 1.136 88 A HN 0.613 nan 8.150 nan 0.000 0.500 89 H N 0.388 119.594 119.070 0.226 0.000 2.848 89 H HA 0.125 4.682 4.556 0.001 0.000 0.317 89 H C 0.631 176.081 175.328 0.204 0.000 1.046 89 H CA 0.638 56.833 56.048 0.244 0.000 1.470 89 H CB 0.865 30.793 29.762 0.275 0.000 1.483 89 H HN 0.644 nan 8.280 nan 0.000 0.548 90 K N 3.407 123.999 120.400 0.320 0.000 2.439 90 K HA -0.092 4.228 4.320 0.001 0.000 0.197 90 K C 1.573 178.409 176.600 0.394 0.000 1.041 90 K CA 0.641 57.171 56.287 0.404 0.000 0.970 90 K CB 0.341 33.110 32.500 0.447 0.000 0.773 90 K HN 0.482 nan 8.250 nan 0.000 0.479 91 K N 0.642 121.146 120.400 0.174 0.000 2.444 91 K HA 0.040 4.361 4.320 0.001 0.000 0.193 91 K C 0.583 177.207 176.600 0.039 0.000 1.024 91 K CA 0.307 56.396 56.287 -0.330 0.000 1.077 91 K CB 0.250 31.946 32.500 -1.339 0.000 0.833 91 K HN -0.083 nan 8.250 nan 0.000 0.517 92 N N 1.850 120.676 118.700 0.210 0.000 2.449 92 N HA -0.043 4.698 4.740 0.001 0.000 0.191 92 N C -0.080 175.682 175.510 0.420 0.000 1.161 92 N CA 0.611 53.804 53.050 0.240 0.000 0.863 92 N CB 0.316 38.985 38.487 0.303 0.000 0.980 92 N HN 0.424 nan 8.380 nan 0.000 0.458 93 T N -2.970 111.816 114.554 0.387 0.000 2.868 93 T HA 0.193 4.543 4.350 0.001 0.000 0.292 93 T C 1.728 176.645 174.700 0.362 0.000 1.028 93 T CA -0.649 61.658 62.100 0.345 0.000 1.059 93 T CB 1.371 70.389 68.868 0.250 0.000 0.991 93 T HN -0.207 nan 8.240 nan 0.000 0.531 94 V N 1.216 121.295 119.914 0.276 0.000 2.490 94 V HA -0.078 4.043 4.120 0.001 0.000 0.250 94 V C 2.824 179.009 176.094 0.151 0.000 1.061 94 V CA 2.111 64.562 62.300 0.252 0.000 1.064 94 V CB -1.055 30.832 31.823 0.108 0.000 0.670 94 V HN 0.978 nan 8.190 nan 0.000 0.461 95 E N -0.116 120.112 120.200 0.047 0.000 2.051 95 E HA -0.195 4.156 4.350 0.001 0.000 0.192 95 E C 1.988 178.547 176.600 -0.068 0.000 0.991 95 E CA 1.675 58.031 56.400 -0.073 0.000 0.799 95 E CB -0.354 29.217 29.700 -0.216 0.000 0.748 95 E HN 0.676 nan 8.360 nan 0.000 0.449 96 Y N 0.733 121.124 120.300 0.151 0.000 2.373 96 Y HA 0.001 4.552 4.550 0.001 0.000 0.293 96 Y C 2.133 178.085 175.900 0.086 0.000 1.129 96 Y CA 1.053 59.235 58.100 0.138 0.000 1.226 96 Y CB -0.170 38.382 38.460 0.153 0.000 1.000 96 Y HN 0.162 nan 8.280 nan 0.000 0.549 97 Q N -0.180 119.756 119.800 0.227 0.000 2.436 97 Q HA -0.107 4.234 4.340 0.001 0.000 0.209 97 Q C 1.430 177.517 176.000 0.145 0.000 0.965 97 Q CA 0.875 56.766 55.803 0.147 0.000 0.910 97 Q CB 0.014 28.796 28.738 0.073 0.000 0.980 97 Q HN 0.462 nan 8.270 nan 0.000 0.491 98 K N -0.094 120.390 120.400 0.139 0.000 2.354 98 K HA 0.114 4.434 4.320 0.001 0.000 0.194 98 K C 0.145 176.805 176.600 0.100 0.000 1.038 98 K CA 0.136 56.485 56.287 0.103 0.000 1.052 98 K CB 0.710 33.256 32.500 0.077 0.000 0.861 98 K HN 0.030 nan 8.250 nan 0.000 0.535 99 N N 1.448 120.231 118.700 0.138 0.000 2.733 99 N HA 0.049 4.790 4.740 0.001 0.000 0.271 99 N C 0.109 175.768 175.510 0.248 0.000 1.720 99 N CA 0.031 53.176 53.050 0.158 0.000 0.803 99 N CB 1.103 39.667 38.487 0.128 0.000 1.208 99 N HN 0.024 nan 8.380 nan 0.000 0.498 100 I N 0.610 121.305 120.570 0.207 0.000 2.315 100 I HA -0.170 4.001 4.170 0.001 0.000 0.248 100 I C 0.841 177.099 176.117 0.236 0.000 1.117 100 I CA 1.589 63.018 61.300 0.215 0.000 1.404 100 I CB 0.176 38.260 38.000 0.140 0.000 1.071 100 I HN 0.125 nan 8.210 nan 0.000 0.419 101 D N 1.036 121.567 120.400 0.218 0.000 2.263 101 D HA -0.147 4.494 4.640 0.001 0.000 0.208 101 D C 2.001 178.406 176.300 0.174 0.000 0.971 101 D CA 0.616 54.740 54.000 0.206 0.000 0.867 101 D CB -0.070 40.879 40.800 0.249 0.000 0.929 101 D HN 0.297 nan 8.370 nan 0.000 0.492 102 K N 0.001 120.539 120.400 0.230 0.000 2.362 102 K HA -0.084 4.237 4.320 0.001 0.000 0.200 102 K C 1.745 178.467 176.600 0.204 0.000 1.046 102 K CA 0.020 56.450 56.287 0.238 0.000 0.952 102 K CB -0.383 32.311 32.500 0.323 0.000 0.753 102 K HN 0.208 nan 8.250 nan 0.000 0.466 103 F N 1.584 121.533 119.950 -0.001 0.000 2.333 103 F HA -0.191 4.337 4.527 0.001 0.000 0.300 103 F C 1.817 177.514 175.800 -0.172 0.000 1.083 103 F CA 0.674 58.502 58.000 -0.286 0.000 1.395 103 F CB -0.079 38.713 39.000 -0.348 0.000 1.056 103 F HN -0.280 nan 8.300 nan 0.000 0.529 104 V N 0.120 119.961 119.914 -0.122 0.000 2.469 104 V HA -0.356 3.765 4.120 0.001 0.000 0.251 104 V C 1.841 177.776 176.094 -0.266 0.000 1.064 104 V CA 2.303 64.488 62.300 -0.193 0.000 1.066 104 V CB -1.121 30.602 31.823 -0.167 0.000 0.667 104 V HN 0.367 nan 8.190 nan 0.000 0.461 105 N N 0.133 118.700 118.700 -0.223 0.000 2.166 105 N HA -0.128 4.613 4.740 0.001 0.000 0.186 105 N C 1.697 177.050 175.510 -0.262 0.000 1.019 105 N CA 1.302 54.242 53.050 -0.184 0.000 0.856 105 N CB -0.289 38.149 38.487 -0.082 0.000 0.993 105 N HN 0.338 nan 8.380 nan 0.000 0.426 106 V N 1.284 120.918 119.914 -0.466 0.000 2.295 106 V HA -0.220 3.901 4.120 0.001 0.000 0.246 106 V C 2.079 177.876 176.094 -0.496 0.000 1.049 106 V CA 1.450 63.415 62.300 -0.558 0.000 1.024 106 V CB -0.533 30.645 31.823 -1.075 0.000 0.648 106 V HN 0.297 nan 8.190 nan 0.000 0.447 107 I N -0.230 119.976 120.570 -0.607 0.000 2.118 107 I HA -0.375 3.795 4.170 0.001 0.000 0.241 107 I C 2.759 178.764 176.117 -0.187 0.000 1.070 107 I CA 1.931 63.041 61.300 -0.318 0.000 1.327 107 I CB -0.404 37.454 38.000 -0.237 0.000 1.034 107 I HN 0.383 nan 8.210 nan 0.000 0.405 108 Q N 0.142 119.830 119.800 -0.187 0.000 2.124 108 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 108 Q C 2.311 178.255 176.000 -0.094 0.000 0.977 108 Q CA 1.530 57.259 55.803 -0.124 0.000 0.850 108 Q CB -0.454 28.209 28.738 -0.125 0.000 0.901 108 Q HN 0.662 nan 8.270 nan 0.000 0.429 109 G N 1.274 110.009 108.800 -0.109 0.000 2.471 109 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 109 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 109 G C 1.131 176.004 174.900 -0.046 0.000 1.125 109 G CA 0.765 45.823 45.100 -0.070 0.000 0.775 109 G HN 0.481 nan 8.290 nan 0.000 0.548 110 Q N -0.692 119.075 119.800 -0.056 0.000 2.194 110 Q HA 0.379 4.720 4.340 0.001 0.000 0.214 110 Q C 0.217 176.218 176.000 0.001 0.000 0.838 110 Q CA -0.269 55.523 55.803 -0.018 0.000 0.972 110 Q CB 0.213 28.941 28.738 -0.017 0.000 1.131 110 Q HN 0.268 nan 8.270 nan 0.000 0.498 111 L N 2.146 123.362 121.223 -0.011 0.000 2.255 111 L HA 0.429 4.770 4.340 0.001 0.000 0.289 111 L C -0.756 176.125 176.870 0.018 0.000 1.046 111 L CA -0.684 54.161 54.840 0.008 0.000 0.816 111 L CB 1.000 43.053 42.059 -0.010 0.000 1.197 111 L HN 0.159 nan 8.230 nan 0.000 0.427 112 M N 2.462 122.089 119.600 0.046 0.000 2.129 112 M HA 0.250 4.731 4.480 0.001 0.000 0.348 112 M C 0.208 176.543 176.300 0.058 0.000 1.116 112 M CA 0.010 55.344 55.300 0.056 0.000 1.022 112 M CB 1.533 34.188 32.600 0.091 0.000 1.599 112 M HN 0.335 nan 8.290 nan 0.000 0.449 113 S N 1.883 117.605 115.700 0.038 0.000 2.552 113 S HA 0.088 4.559 4.470 0.001 0.000 0.289 113 S C 1.452 176.084 174.600 0.053 0.000 1.304 113 S CA -0.572 57.650 58.200 0.036 0.000 1.063 113 S CB 0.609 63.819 63.200 0.016 0.000 0.848 113 S HN 0.589 nan 8.310 nan 0.000 0.499 114 V N 2.277 122.234 119.914 0.071 0.000 2.407 114 V HA 0.034 4.155 4.120 0.001 0.000 0.245 114 V C 1.125 177.224 176.094 0.008 0.000 1.041 114 V CA 1.372 63.707 62.300 0.059 0.000 1.040 114 V CB 0.190 32.094 31.823 0.135 0.000 0.671 114 V HN 0.802 nan 8.190 nan 0.000 0.455 115 S N -0.670 115.055 115.700 0.041 0.000 2.689 115 S HA 0.524 4.995 4.470 0.001 0.000 0.274 115 S C -1.244 173.360 174.600 0.006 0.000 1.176 115 S CA -0.450 57.740 58.200 -0.018 0.000 1.014 115 S CB 1.574 64.734 63.200 -0.067 0.000 1.071 115 S HN -0.037 nan 8.310 nan 0.000 0.478 116 V N 7.759 127.664 119.914 -0.016 0.000 2.384 116 V HA 0.579 4.700 4.120 0.001 0.000 0.287 116 V C -1.970 174.108 176.094 -0.028 0.000 1.020 116 V CA -1.754 60.536 62.300 -0.017 0.000 0.850 116 V CB 1.675 33.487 31.823 -0.018 0.000 0.987 116 V HN 0.725 nan 8.190 nan 0.000 0.436 117 P HA 0.200 nan 4.420 nan 0.000 0.274 117 P C -0.183 177.092 177.300 -0.041 0.000 1.256 117 P CA -0.177 62.904 63.100 -0.032 0.000 0.795 117 P CB 0.914 32.596 31.700 -0.029 0.000 1.038 118 V N 2.054 121.947 119.914 -0.036 0.000 2.673 118 V HA -0.033 4.088 4.120 0.001 0.000 0.303 118 V C 1.231 177.275 176.094 -0.085 0.000 1.046 118 V CA 0.240 62.513 62.300 -0.045 0.000 1.126 118 V CB -0.620 31.196 31.823 -0.010 0.000 0.934 118 V HN 0.629 nan 8.190 nan 0.000 0.487 119 N N 3.379 122.022 118.700 -0.096 0.000 2.472 119 N HA 0.139 4.880 4.740 0.001 0.000 0.277 119 N C 0.508 175.857 175.510 -0.268 0.000 1.081 119 N CA 0.281 53.251 53.050 -0.133 0.000 0.973 119 N CB 1.671 40.109 38.487 -0.082 0.000 1.105 119 N HN 0.856 nan 8.380 nan 0.000 0.470 120 T N 0.815 115.095 114.554 -0.457 0.000 3.252 120 T HA 0.277 4.628 4.350 0.001 0.000 0.286 120 T C 0.760 174.985 174.700 -0.791 0.000 1.013 120 T CA -0.426 60.990 62.100 -1.139 0.000 0.914 120 T CB -0.489 67.814 68.868 -0.941 0.000 1.131 120 T HN 0.281 nan 8.240 nan 0.000 0.529 121 L N 2.067 123.108 121.223 -0.303 0.000 2.453 121 L HA 0.384 4.725 4.340 0.001 0.000 0.272 121 L C 0.065 176.998 176.870 0.105 0.000 1.182 121 L CA -0.741 54.047 54.840 -0.086 0.000 0.858 121 L CB 0.844 42.880 42.059 -0.038 0.000 1.120 121 L HN 0.065 nan 8.230 nan 0.000 0.474 122 V N 4.487 124.480 119.914 0.131 0.000 2.432 122 V HA 0.213 4.334 4.120 0.001 0.000 0.275 122 V C 0.168 176.331 176.094 0.115 0.000 1.043 122 V CA -0.522 61.901 62.300 0.205 0.000 0.925 122 V CB 1.558 33.481 31.823 0.167 0.000 0.985 122 V HN 0.415 nan 8.190 nan 0.000 0.466 123 V N 5.169 125.148 119.914 0.108 0.000 2.313 123 V HA 0.356 4.477 4.120 0.001 0.000 0.278 123 V C 0.157 176.279 176.094 0.046 0.000 1.017 123 V CA -0.409 61.931 62.300 0.066 0.000 0.823 123 V CB 1.428 33.291 31.823 0.066 0.000 1.010 123 V HN 1.075 nan 8.190 nan 0.000 0.443 124 D N 2.054 122.474 120.400 0.035 0.000 2.501 124 D HA 0.005 4.646 4.640 0.001 0.000 0.224 124 D C 1.085 177.393 176.300 0.013 0.000 1.202 124 D CA 0.229 54.240 54.000 0.018 0.000 0.829 124 D CB 0.423 41.233 40.800 0.017 0.000 1.023 124 D HN 0.545 nan 8.370 nan 0.000 0.499 125 T N -1.558 113.007 114.554 0.018 0.000 3.248 125 T HA 0.348 4.698 4.350 0.001 0.000 0.271 125 T C 0.660 175.370 174.700 0.018 0.000 1.005 125 T CA -0.577 61.532 62.100 0.015 0.000 0.902 125 T CB -0.341 68.536 68.868 0.016 0.000 1.102 125 T HN 0.018 nan 8.240 nan 0.000 0.548 126 L N 1.949 123.184 121.223 0.019 0.000 2.467 126 L HA 0.346 4.687 4.340 0.001 0.000 0.270 126 L C 1.142 178.022 176.870 0.016 0.000 1.205 126 L CA -0.590 54.264 54.840 0.024 0.000 0.828 126 L CB 0.521 42.598 42.059 0.030 0.000 1.101 126 L HN 0.290 nan 8.230 nan 0.000 0.479 127 S N 1.816 117.529 115.700 0.021 0.000 2.572 127 S HA 0.139 4.610 4.470 0.001 0.000 0.279 127 S C -1.482 173.124 174.600 0.009 0.000 1.341 127 S CA -1.022 57.187 58.200 0.015 0.000 1.043 127 S CB 0.905 64.117 63.200 0.021 0.000 0.887 127 S HN 0.406 nan 8.310 nan 0.000 0.516 128 P HA -0.091 nan 4.420 nan 0.000 0.218 128 P C 1.359 178.658 177.300 -0.002 0.000 1.146 128 P CA 1.510 64.606 63.100 -0.008 0.000 0.813 128 P CB -0.209 31.486 31.700 -0.008 0.000 0.778 129 T N -5.493 109.068 114.554 0.013 0.000 3.023 129 T HA 0.076 4.427 4.350 0.001 0.000 0.266 129 T C 1.057 175.785 174.700 0.047 0.000 1.093 129 T CA 0.122 62.237 62.100 0.025 0.000 1.129 129 T CB -0.635 68.250 68.868 0.028 0.000 0.899 129 T HN -0.090 nan 8.240 nan 0.000 0.491 130 S N 1.353 117.084 115.700 0.053 0.000 2.572 130 S HA 0.263 4.734 4.470 0.001 0.000 0.279 130 S C -0.495 174.180 174.600 0.125 0.000 1.341 130 S CA -0.967 57.292 58.200 0.098 0.000 1.043 130 S CB 0.136 63.390 63.200 0.089 0.000 0.887 130 S HN 0.596 nan 8.310 nan 0.000 0.516 131 W N 3.459 124.765 121.300 0.011 0.000 2.210 131 W HA 0.303 4.964 4.660 0.001 0.000 0.330 131 W C 0.171 176.701 176.519 0.020 0.000 1.334 131 W CA 0.005 57.356 57.345 0.009 0.000 1.227 131 W CB 0.219 29.684 29.460 0.009 0.000 1.178 131 W HN 0.628 nan 8.180 nan 0.000 0.560 132 Q N 5.041 124.460 119.800 -0.635 0.000 2.345 132 Q HA 0.716 5.057 4.340 0.001 0.000 0.275 132 Q C -1.397 174.070 176.000 -0.889 0.000 1.063 132 Q CA -1.136 54.370 55.803 -0.495 0.000 0.819 132 Q CB 1.705 30.321 28.738 -0.203 0.000 1.356 132 Q HN 0.600 nan 8.270 nan 0.000 0.418 133 A N 1.777 124.330 122.820 -0.444 0.000 2.388 133 A HA 0.396 4.717 4.320 0.001 0.000 0.257 133 A C 0.378 177.785 177.584 -0.295 0.000 1.095 133 A CA -0.278 51.593 52.037 -0.277 0.000 0.791 133 A CB 0.702 19.816 19.000 0.190 0.000 1.029 133 A HN 0.839 nan 8.150 nan 0.000 0.489 134 S N -0.070 115.483 115.700 -0.245 0.000 2.528 134 S HA 0.100 4.571 4.470 0.001 0.000 0.219 134 S C 0.858 175.354 174.600 -0.172 0.000 0.985 134 S CA 0.858 58.940 58.200 -0.197 0.000 0.914 134 S CB -0.171 62.936 63.200 -0.156 0.000 0.776 134 S HN 1.080 nan 8.310 nan 0.000 0.526 135 T N -1.521 112.968 114.554 -0.108 0.000 2.838 135 T HA 0.636 4.987 4.350 0.001 0.000 0.292 135 T C -0.924 173.706 174.700 -0.117 0.000 1.113 135 T CA -0.752 61.288 62.100 -0.100 0.000 1.008 135 T CB 0.683 69.597 68.868 0.077 0.000 1.259 135 T HN -0.098 nan 8.240 nan 0.000 0.520 136 F N 2.899 122.924 119.950 0.125 0.000 2.541 136 F HA 0.402 4.930 4.527 0.001 0.000 0.351 136 F C 0.351 176.186 175.800 0.058 0.000 1.209 136 F CA -1.878 56.154 58.000 0.052 0.000 1.277 136 F CB -0.872 38.133 39.000 0.009 0.000 1.632 136 F HN 0.549 nan 8.300 nan 0.000 0.619 137 F N -0.590 119.459 119.950 0.164 0.000 2.399 137 F HA 0.579 5.107 4.527 0.001 0.000 0.313 137 F C -0.052 175.820 175.800 0.119 0.000 1.202 137 F CA -1.667 56.409 58.000 0.126 0.000 1.192 137 F CB -0.178 38.886 39.000 0.108 0.000 1.256 137 F HN -0.160 nan 8.300 nan 0.000 0.558 138 V N 2.812 122.837 119.914 0.185 0.000 2.425 138 V HA 0.241 4.362 4.120 0.001 0.000 0.276 138 V C 0.203 176.297 176.094 0.000 0.000 1.017 138 V CA 0.007 62.342 62.300 0.059 0.000 1.062 138 V CB -0.739 31.150 31.823 0.111 0.000 0.997 138 V HN 0.726 nan 8.190 nan 0.000 0.476 139 R N 3.830 124.232 120.500 -0.162 0.000 2.744 139 R HA 0.464 4.804 4.340 0.001 0.000 0.279 139 R C 0.043 176.297 176.300 -0.077 0.000 0.977 139 R CA -0.886 55.098 56.100 -0.193 0.000 0.906 139 R CB 1.349 31.405 30.300 -0.408 0.000 1.197 139 R HN 0.734 nan 8.270 nan 0.000 0.463 140 N N 0.867 119.550 118.700 -0.030 0.000 2.754 140 N HA -0.180 4.561 4.740 0.001 0.000 0.248 140 N C 0.436 175.936 175.510 -0.016 0.000 1.093 140 N CA 1.429 54.466 53.050 -0.022 0.000 0.699 140 N CB -1.235 37.232 38.487 -0.033 0.000 1.016 140 N HN 1.085 nan 8.380 nan 0.000 0.552 141 G N -1.534 107.262 108.800 -0.006 0.000 2.155 141 G HA2 -0.343 3.618 3.960 0.001 0.000 0.257 141 G HA3 -0.343 3.618 3.960 0.001 0.000 0.257 141 G C 0.336 175.231 174.900 -0.008 0.000 0.983 141 G CA 1.075 46.173 45.100 -0.003 0.000 0.676 141 G HN 1.362 nan 8.290 nan 0.000 0.528 142 S N -0.706 114.983 115.700 -0.017 0.000 2.593 142 S HA 0.497 4.968 4.470 0.001 0.000 0.269 142 S C 0.125 174.716 174.600 -0.015 0.000 1.334 142 S CA -0.003 58.184 58.200 -0.022 0.000 1.015 142 S CB 1.792 64.970 63.200 -0.036 0.000 0.912 142 S HN 0.670 nan 8.310 nan 0.000 0.541 143 N N 1.979 120.663 118.700 -0.026 0.000 2.485 143 N HA 0.362 5.103 4.740 0.001 0.000 0.243 143 N C -1.655 173.843 175.510 -0.020 0.000 0.987 143 N CA -2.541 50.489 53.050 -0.034 0.000 0.940 143 N CB 1.256 39.696 38.487 -0.078 0.000 1.122 143 N HN 0.381 nan 8.380 nan 0.000 0.509 144 P HA -0.053 nan 4.420 nan 0.000 0.230 144 P C 0.272 177.598 177.300 0.043 0.000 1.158 144 P CA 0.805 63.924 63.100 0.031 0.000 0.769 144 P CB 0.550 32.282 31.700 0.055 0.000 0.807 145 E N -0.102 120.113 120.200 0.024 0.000 2.274 145 E HA -0.113 4.237 4.350 0.001 0.000 0.194 145 E C 0.931 177.551 176.600 0.034 0.000 0.996 145 E CA 0.647 57.086 56.400 0.066 0.000 0.840 145 E CB -0.136 29.560 29.700 -0.006 0.000 0.772 145 E HN 0.313 nan 8.360 nan 0.000 0.491 146 Q N 2.203 121.984 119.800 -0.032 0.000 2.294 146 Q HA 0.034 4.375 4.340 0.001 0.000 0.257 146 Q C -0.875 175.135 176.000 0.017 0.000 0.955 146 Q CA -0.201 55.578 55.803 -0.039 0.000 0.936 146 Q CB 0.834 29.534 28.738 -0.062 0.000 1.188 146 Q HN -0.191 nan 8.270 nan 0.000 0.420 147 D N 5.935 126.364 120.400 0.048 0.000 2.339 147 D HA 0.081 4.722 4.640 0.001 0.000 0.256 147 D C -1.718 174.597 176.300 0.026 0.000 1.214 147 D CA -1.929 52.098 54.000 0.045 0.000 0.877 147 D CB 1.310 42.151 40.800 0.067 0.000 1.111 147 D HN 0.428 nan 8.370 nan 0.000 0.478 148 P HA -0.073 nan 4.420 nan 0.000 0.226 148 P C 1.313 178.613 177.300 0.000 0.000 1.153 148 P CA 0.644 63.740 63.100 -0.006 0.000 0.777 148 P CB 0.331 32.016 31.700 -0.026 0.000 0.794 149 L N -1.196 120.031 121.223 0.007 0.000 2.592 149 L HA 0.145 4.486 4.340 0.001 0.000 0.227 149 L C 1.456 178.337 176.870 0.019 0.000 1.127 149 L CA 0.348 55.193 54.840 0.008 0.000 0.884 149 L CB -0.240 41.820 42.059 0.002 0.000 1.065 149 L HN -0.155 nan 8.230 nan 0.000 0.457 150 R N -0.084 120.436 120.500 0.034 0.000 2.772 150 R HA 0.215 4.556 4.340 0.001 0.000 0.358 150 R C -0.491 175.860 176.300 0.084 0.000 1.143 150 R CA -0.271 55.861 56.100 0.054 0.000 1.153 150 R CB 0.299 30.635 30.300 0.060 0.000 1.329 150 R HN 0.033 nan 8.270 nan 0.000 0.615 151 N N 0.601 119.327 118.700 0.044 0.000 2.432 151 N HA 0.373 5.114 4.740 0.001 0.000 0.292 151 N C -0.764 174.651 175.510 -0.160 0.000 1.193 151 N CA -0.679 52.379 53.050 0.013 0.000 0.878 151 N CB 1.272 39.767 38.487 0.012 0.000 1.252 151 N HN 0.098 nan 8.380 nan 0.000 0.520 152 L N 2.125 123.073 121.223 -0.457 0.000 2.407 152 L HA 0.226 4.567 4.340 0.001 0.000 0.261 152 L C 1.440 178.103 176.870 -0.344 0.000 1.108 152 L CA -0.315 54.141 54.840 -0.640 0.000 0.995 152 L CB 0.422 41.715 42.059 -1.276 0.000 1.349 152 L HN 0.646 nan 8.230 nan 0.000 0.423 153 S N -0.082 115.521 115.700 -0.161 0.000 2.419 153 S HA -0.109 4.362 4.470 0.001 0.000 0.233 153 S C 1.750 176.305 174.600 -0.074 0.000 1.016 153 S CA 0.941 59.096 58.200 -0.074 0.000 0.974 153 S CB -0.146 63.026 63.200 -0.046 0.000 0.786 153 S HN 0.644 nan 8.310 nan 0.000 0.492 154 G N 0.365 109.102 108.800 -0.105 0.000 2.880 154 G HA2 0.107 4.068 3.960 0.001 0.000 0.209 154 G HA3 0.107 4.068 3.960 0.001 0.000 0.209 154 G C 0.527 175.379 174.900 -0.080 0.000 1.157 154 G CA -0.325 44.726 45.100 -0.081 0.000 0.779 154 G HN 0.356 nan 8.290 nan 0.000 0.539 155 Q N 0.634 120.364 119.800 -0.117 0.000 2.330 155 Q HA 0.493 4.834 4.340 0.001 0.000 0.279 155 Q C -0.080 175.935 176.000 0.025 0.000 1.024 155 Q CA 0.279 56.047 55.803 -0.059 0.000 0.900 155 Q CB 1.366 30.048 28.738 -0.094 0.000 1.221 155 Q HN 0.292 nan 8.270 nan 0.000 0.396 156 A N 2.091 124.932 122.820 0.035 0.000 2.594 156 A HA 0.771 5.092 4.320 0.001 0.000 0.291 156 A C -0.975 176.645 177.584 0.059 0.000 1.105 156 A CA -0.533 51.531 52.037 0.045 0.000 0.694 156 A CB 1.393 20.409 19.000 0.026 0.000 1.291 156 A HN 0.475 nan 8.150 nan 0.000 0.410 157 V N -2.285 117.676 119.914 0.077 0.000 3.074 157 V HA 0.955 5.076 4.120 0.001 0.000 0.314 157 V C -0.429 175.728 176.094 0.105 0.000 1.117 157 V CA -0.574 61.787 62.300 0.102 0.000 1.014 157 V CB 1.572 33.485 31.823 0.151 0.000 1.057 157 V HN 0.901 nan 8.190 nan 0.000 0.438 158 T N 2.062 116.677 114.554 0.102 0.000 2.848 158 T HA 0.607 4.958 4.350 0.001 0.000 0.285 158 T C -0.443 174.299 174.700 0.070 0.000 0.995 158 T CA -0.499 61.645 62.100 0.074 0.000 0.970 158 T CB 1.407 70.306 68.868 0.052 0.000 0.976 158 T HN 0.756 nan 8.240 nan 0.000 0.441 159 R N 2.463 122.994 120.500 0.052 0.000 2.402 159 R HA 0.616 4.957 4.340 0.001 0.000 0.290 159 R C -0.847 175.467 176.300 0.025 0.000 1.321 159 R CA -0.529 55.581 56.100 0.017 0.000 1.283 159 R CB 0.871 31.165 30.300 -0.010 0.000 1.111 159 R HN 0.537 nan 8.270 nan 0.000 0.578 160 V N -1.714 118.214 119.914 0.023 0.000 3.204 160 V HA 0.451 4.572 4.120 0.001 0.000 0.298 160 V C -0.251 175.859 176.094 0.027 0.000 1.328 160 V CA -1.133 61.184 62.300 0.029 0.000 1.035 160 V CB 1.927 33.770 31.823 0.034 0.000 1.095 160 V HN 0.103 nan 8.190 nan 0.000 0.442 161 V N 2.683 122.616 119.914 0.031 0.000 2.572 161 V HA 0.559 4.680 4.120 0.001 0.000 0.291 161 V C 1.635 177.750 176.094 0.035 0.000 1.039 161 V CA 1.855 64.175 62.300 0.033 0.000 1.055 161 V CB 0.186 32.029 31.823 0.034 0.000 0.969 161 V HN 2.085 nan 8.190 nan 0.000 0.482 162 G N 3.419 112.239 108.800 0.032 0.000 2.194 162 G HA2 -0.006 3.955 3.960 0.001 0.000 0.236 162 G HA3 -0.006 3.955 3.960 0.001 0.000 0.236 162 G C 0.972 175.868 174.900 -0.006 0.000 0.987 162 G CA 0.232 45.345 45.100 0.021 0.000 0.635 162 G HN 2.084 nan 8.290 nan 0.000 0.520 163 G N 0.146 108.950 108.800 0.006 0.000 2.581 163 G HA2 -0.260 3.701 3.960 0.001 0.000 0.291 163 G HA3 -0.260 3.701 3.960 0.001 0.000 0.291 163 G C 1.188 176.083 174.900 -0.008 0.000 1.277 163 G CA 1.239 46.342 45.100 0.005 0.000 0.959 163 G HN 1.126 nan 8.290 nan 0.000 0.554 164 M N 1.474 121.068 119.600 -0.011 0.000 2.446 164 M HA -0.035 4.445 4.480 0.001 0.000 0.263 164 M C 2.724 178.990 176.300 -0.056 0.000 1.066 164 M CA 1.877 57.179 55.300 0.003 0.000 1.087 164 M CB -0.306 32.321 32.600 0.046 0.000 1.406 164 M HN 0.740 nan 8.290 nan 0.000 0.459 165 S N -0.461 115.107 115.700 -0.220 0.000 2.547 165 S HA -0.080 4.391 4.470 0.001 0.000 0.235 165 S C 1.736 176.270 174.600 -0.110 0.000 0.980 165 S CA 1.233 59.148 58.200 -0.474 0.000 0.941 165 S CB -1.018 61.870 63.200 -0.520 0.000 0.763 165 S HN 0.597 nan 8.310 nan 0.000 0.532 166 T N -2.298 112.212 114.554 -0.073 0.000 3.085 166 T HA 0.448 4.799 4.350 0.001 0.000 0.263 166 T C 1.273 175.824 174.700 -0.248 0.000 1.127 166 T CA 0.582 62.626 62.100 -0.093 0.000 1.103 166 T CB -0.078 68.797 68.868 0.012 0.000 0.921 166 T HN 0.597 nan 8.240 nan 0.000 0.510 167 A N -0.023 122.731 122.820 -0.110 0.000 2.606 167 A HA 0.414 4.735 4.320 0.001 0.000 0.230 167 A C 0.642 178.410 177.584 0.307 0.000 1.279 167 A CA -0.667 51.447 52.037 0.128 0.000 1.010 167 A CB -0.132 18.950 19.000 0.137 0.000 1.271 167 A HN 0.635 nan 8.150 nan 0.000 0.584 168 W N 0.354 121.653 121.300 -0.000 0.000 2.034 168 W HA 0.366 5.027 4.660 0.001 0.000 0.357 168 W C -0.041 176.563 176.519 0.141 0.000 1.326 168 W CA 0.838 58.248 57.345 0.107 0.000 1.318 168 W CB -0.757 28.752 29.460 0.081 0.000 1.193 168 W HN -0.040 nan 8.180 nan 0.000 0.620 169 T N 1.060 115.527 114.554 -0.146 0.000 3.100 169 T HA 0.012 4.363 4.350 0.001 0.000 0.253 169 T C 1.067 175.294 174.700 -0.787 0.000 1.118 169 T CA 0.984 62.839 62.100 -0.409 0.000 1.058 169 T CB -0.552 68.249 68.868 -0.113 0.000 0.953 169 T HN 0.667 nan 8.240 nan 0.000 0.515 170 C N 1.000 119.396 119.300 -1.508 0.000 4.497 170 C HA -0.135 4.326 4.460 0.001 0.000 0.268 170 C C 1.199 175.706 174.990 -0.806 0.000 1.343 170 C CA -0.682 57.284 59.018 -1.753 0.000 1.742 170 C CB -2.670 24.603 27.740 -0.779 0.000 1.450 170 C HN 0.768 nan 8.230 nan 0.000 0.733 171 A N 1.228 123.759 122.820 -0.481 0.000 2.444 171 A HA 0.519 4.840 4.320 0.001 0.000 0.273 171 A C 0.800 178.288 177.584 -0.159 0.000 1.136 171 A CA 1.206 53.118 52.037 -0.209 0.000 0.799 171 A CB 0.129 19.074 19.000 -0.092 0.000 1.081 171 A HN 1.363 nan 8.150 nan 0.000 0.509 172 T N 1.790 116.272 114.554 -0.120 0.000 3.466 172 T HA 0.508 4.859 4.350 0.001 0.000 0.297 172 T C -2.662 171.984 174.700 -0.089 0.000 1.640 172 T CA -1.528 60.532 62.100 -0.067 0.000 1.631 172 T CB 0.588 69.446 68.868 -0.016 0.000 0.928 172 T HN 0.457 nan 8.240 nan 0.000 0.688 173 P HA 0.353 nan 4.420 nan 0.000 0.277 173 P C -0.127 177.022 177.300 -0.252 0.000 1.240 173 P CA -0.601 62.390 63.100 -0.182 0.000 0.798 173 P CB 1.180 32.730 31.700 -0.250 0.000 0.979 174 R N 0.829 121.101 120.500 -0.380 0.000 2.577 174 R HA 0.415 4.756 4.340 0.001 0.000 0.269 174 R C 0.103 176.266 176.300 -0.229 0.000 1.084 174 R CA -0.434 55.235 56.100 -0.718 0.000 1.163 174 R CB 0.210 29.941 30.300 -0.948 0.000 1.100 174 R HN 0.384 nan 8.270 nan 0.000 0.547 175 F N 1.539 121.248 119.950 -0.402 0.000 2.385 175 F HA 0.078 4.606 4.527 0.001 0.000 0.336 175 F C 0.930 176.540 175.800 -0.315 0.000 1.100 175 F CA -1.638 56.160 58.000 -0.337 0.000 1.116 175 F CB 0.463 39.261 39.000 -0.335 0.000 1.166 175 F HN 0.540 nan 8.300 nan 0.000 0.511 176 D N 2.039 122.367 120.400 -0.121 0.000 2.398 176 D HA 0.123 4.764 4.640 0.001 0.000 0.247 176 D C 1.053 177.271 176.300 -0.136 0.000 1.227 176 D CA -0.416 53.513 54.000 -0.118 0.000 0.980 176 D CB 0.544 41.288 40.800 -0.094 0.000 1.106 176 D HN 0.471 nan 8.370 nan 0.000 0.493 177 R N -0.493 119.953 120.500 -0.091 0.000 2.117 177 R HA -0.165 4.176 4.340 0.001 0.000 0.243 177 R C 2.007 178.254 176.300 -0.088 0.000 1.143 177 R CA 1.524 57.576 56.100 -0.079 0.000 0.968 177 R CB -0.177 30.111 30.300 -0.021 0.000 0.863 177 R HN 0.622 nan 8.270 nan 0.000 0.444 178 E N 0.340 120.483 120.200 -0.095 0.000 2.265 178 E HA -0.199 4.152 4.350 0.001 0.000 0.196 178 E C 1.407 177.908 176.600 -0.165 0.000 0.996 178 E CA 1.029 57.382 56.400 -0.079 0.000 0.832 178 E CB 0.223 29.923 29.700 -0.000 0.000 0.756 178 E HN 0.463 nan 8.360 nan 0.000 0.491 179 Q N -0.659 118.956 119.800 -0.309 0.000 2.319 179 Q HA 0.131 4.472 4.340 0.001 0.000 0.209 179 Q C 0.485 176.387 176.000 -0.163 0.000 0.884 179 Q CA -0.098 55.452 55.803 -0.422 0.000 0.938 179 Q CB 0.805 28.976 28.738 -0.945 0.000 1.098 179 Q HN -0.093 nan 8.270 nan 0.000 0.517 180 R N 2.185 122.634 120.500 -0.086 0.000 2.460 180 R HA 0.313 4.654 4.340 0.001 0.000 0.303 180 R C -2.536 173.739 176.300 -0.043 0.000 0.968 180 R CA -2.084 53.962 56.100 -0.090 0.000 0.889 180 R CB 1.069 31.131 30.300 -0.397 0.000 1.123 180 R HN -0.106 nan 8.270 nan 0.000 0.455 181 P HA 0.079 nan 4.420 nan 0.000 0.274 181 P C -0.689 176.762 177.300 0.251 0.000 1.231 181 P CA -0.186 62.991 63.100 0.128 0.000 0.790 181 P CB 0.828 32.608 31.700 0.134 0.000 0.951 182 L N 2.309 123.649 121.223 0.195 0.000 2.371 182 L HA 0.192 4.533 4.340 0.001 0.000 0.272 182 L C 1.760 178.775 176.870 0.241 0.000 1.124 182 L CA -0.245 54.781 54.840 0.311 0.000 0.816 182 L CB 0.288 42.580 42.059 0.387 0.000 1.129 182 L HN 0.346 nan 8.230 nan 0.000 0.448 183 L N 2.893 124.299 121.223 0.304 0.000 2.575 183 L HA 0.216 4.557 4.340 0.001 0.000 0.228 183 L C -0.243 176.814 176.870 0.311 0.000 1.075 183 L CA 0.164 55.082 54.840 0.130 0.000 0.867 183 L CB 0.738 42.681 42.059 -0.192 0.000 1.097 183 L HN 0.310 nan 8.230 nan 0.000 0.485 184 V N 1.254 121.354 119.914 0.310 0.000 2.444 184 V HA 0.214 4.334 4.120 0.001 0.000 0.294 184 V C -0.393 175.802 176.094 0.169 0.000 1.022 184 V CA -1.004 61.415 62.300 0.198 0.000 0.850 184 V CB 1.585 33.469 31.823 0.101 0.000 0.992 184 V HN 0.207 nan 8.190 nan 0.000 0.426 185 K N 2.952 123.312 120.400 -0.067 0.000 2.218 185 K HA 0.449 4.770 4.320 0.001 0.000 0.276 185 K C -0.256 176.306 176.600 -0.063 0.000 1.022 185 K CA -0.493 55.712 56.287 -0.137 0.000 0.946 185 K CB 0.506 32.728 32.500 -0.463 0.000 1.000 185 K HN 0.614 nan 8.250 nan 0.000 0.468 186 D N 1.055 121.447 120.400 -0.013 0.000 2.723 186 D HA -0.167 4.474 4.640 0.001 0.000 0.236 186 D C -0.826 175.480 176.300 0.009 0.000 1.138 186 D CA 1.349 55.347 54.000 -0.003 0.000 0.676 186 D CB -0.842 39.942 40.800 -0.026 0.000 1.069 186 D HN 0.807 nan 8.370 nan 0.000 0.430 187 D N -1.331 119.087 120.400 0.031 0.000 2.826 187 D HA 0.359 5.000 4.640 0.001 0.000 0.239 187 D C 0.967 177.303 176.300 0.060 0.000 1.329 187 D CA 0.201 54.223 54.000 0.037 0.000 0.854 187 D CB 0.287 41.103 40.800 0.026 0.000 1.494 187 D HN 0.018 nan 8.370 nan 0.000 0.540 188 A N 1.862 124.720 122.820 0.062 0.000 1.986 188 A HA -0.192 4.128 4.320 0.001 0.000 0.220 188 A C 1.666 179.298 177.584 0.081 0.000 1.171 188 A CA 1.523 53.607 52.037 0.078 0.000 0.640 188 A CB -0.013 19.026 19.000 0.064 0.000 0.811 188 A HN 0.422 nan 8.150 nan 0.000 0.451 189 D N -0.298 120.139 120.400 0.062 0.000 2.149 189 D HA 0.047 4.688 4.640 0.001 0.000 0.201 189 D C 2.222 178.560 176.300 0.063 0.000 0.972 189 D CA 1.352 55.387 54.000 0.059 0.000 0.835 189 D CB -0.337 40.488 40.800 0.042 0.000 0.966 189 D HN 0.427 nan 8.370 nan 0.000 0.476 190 A N 0.685 123.539 122.820 0.058 0.000 1.929 190 A HA -0.170 4.151 4.320 0.001 0.000 0.216 190 A C 1.946 179.572 177.584 0.070 0.000 1.176 190 A CA 1.799 53.866 52.037 0.049 0.000 0.628 190 A CB -0.512 18.511 19.000 0.037 0.000 0.816 190 A HN 0.158 nan 8.150 nan 0.000 0.444 191 D N -0.047 120.419 120.400 0.109 0.000 2.084 191 D HA -0.166 4.475 4.640 0.001 0.000 0.194 191 D C 1.261 177.712 176.300 0.251 0.000 0.990 191 D CA 1.628 55.736 54.000 0.179 0.000 0.826 191 D CB -0.132 40.803 40.800 0.225 0.000 0.971 191 D HN 0.338 nan 8.370 nan 0.000 0.453 192 D N 0.045 120.569 120.400 0.208 0.000 2.116 192 D HA -0.178 4.463 4.640 0.001 0.000 0.193 192 D C 2.027 178.433 176.300 0.177 0.000 0.998 192 D CA 1.627 55.751 54.000 0.207 0.000 0.836 192 D CB -0.723 40.154 40.800 0.130 0.000 0.951 192 D HN 0.344 nan 8.370 nan 0.000 0.449 193 A N 0.665 123.550 122.820 0.108 0.000 1.908 193 A HA -0.236 4.084 4.320 0.001 0.000 0.218 193 A C 2.165 179.773 177.584 0.040 0.000 1.181 193 A CA 2.136 54.214 52.037 0.068 0.000 0.627 193 A CB -0.643 18.380 19.000 0.039 0.000 0.818 193 A HN 0.262 nan 8.150 nan 0.000 0.445 194 E N -1.034 119.168 120.200 0.003 0.000 2.051 194 E HA -0.213 4.138 4.350 0.001 0.000 0.192 194 E C 1.706 178.201 176.600 -0.175 0.000 0.991 194 E CA 1.568 57.899 56.400 -0.115 0.000 0.799 194 E CB -0.466 29.125 29.700 -0.181 0.000 0.748 194 E HN 0.719 nan 8.360 nan 0.000 0.449 195 W N 0.857 122.125 121.300 -0.053 0.000 2.338 195 W HA -0.141 4.520 4.660 0.001 0.000 0.304 195 W C 2.197 178.729 176.519 0.022 0.000 1.212 195 W CA 1.323 58.610 57.345 -0.097 0.000 1.264 195 W CB -0.435 29.016 29.460 -0.015 0.000 1.142 195 W HN 0.271 nan 8.180 nan 0.000 0.512 196 D N -0.139 120.430 120.400 0.281 0.000 2.097 196 D HA -0.212 4.429 4.640 0.001 0.000 0.195 196 D C 2.149 178.522 176.300 0.121 0.000 0.989 196 D CA 1.591 55.721 54.000 0.217 0.000 0.827 196 D CB -0.233 40.649 40.800 0.136 0.000 0.966 196 D HN -0.055 nan 8.370 nan 0.000 0.456 197 R N -0.354 120.168 120.500 0.036 0.000 2.082 197 R HA -0.133 4.207 4.340 0.001 0.000 0.234 197 R C 2.545 178.805 176.300 -0.066 0.000 1.136 197 R CA 1.476 57.559 56.100 -0.027 0.000 0.935 197 R CB -0.429 29.831 30.300 -0.067 0.000 0.842 197 R HN 0.258 nan 8.270 nan 0.000 0.430 198 L N -0.708 120.435 121.223 -0.133 0.000 1.989 198 L HA -0.236 4.104 4.340 0.001 0.000 0.211 198 L C 2.492 179.302 176.870 -0.099 0.000 1.071 198 L CA 1.428 56.140 54.840 -0.213 0.000 0.749 198 L CB -0.723 41.090 42.059 -0.409 0.000 0.890 198 L HN 0.243 nan 8.230 nan 0.000 0.431 199 Y N 0.437 120.735 120.300 -0.003 0.000 2.181 199 Y HA -0.239 4.312 4.550 0.002 0.000 0.288 199 Y C 2.896 178.776 175.900 -0.032 0.000 1.146 199 Y CA 1.526 59.637 58.100 0.018 0.000 1.164 199 Y CB -1.145 37.363 38.460 0.079 0.000 0.982 199 Y HN 0.161 nan 8.280 nan 0.000 0.515 200 T N -0.314 114.318 114.554 0.130 0.000 2.684 200 T HA -0.239 4.112 4.350 0.001 0.000 0.267 200 T C 2.004 176.670 174.700 -0.056 0.000 1.036 200 T CA 1.846 63.967 62.100 0.036 0.000 1.148 200 T CB -0.186 68.695 68.868 0.022 0.000 0.863 200 T HN 0.238 nan 8.240 nan 0.000 0.436 201 K N 0.768 121.077 120.400 -0.152 0.000 2.057 201 K HA 0.044 4.365 4.320 0.001 0.000 0.206 201 K C 2.539 178.815 176.600 -0.539 0.000 1.050 201 K CA 1.039 57.109 56.287 -0.362 0.000 0.935 201 K CB -0.297 31.940 32.500 -0.438 0.000 0.715 201 K HN 0.260 nan 8.250 nan 0.000 0.439 202 A N 1.399 124.014 122.820 -0.341 0.000 1.908 202 A HA -0.217 4.104 4.320 0.001 0.000 0.218 202 A C 1.802 179.396 177.584 0.018 0.000 1.181 202 A CA 1.847 53.763 52.037 -0.201 0.000 0.627 202 A CB -0.517 18.475 19.000 -0.014 0.000 0.818 202 A HN 0.478 nan 8.150 nan 0.000 0.445 203 E N 0.204 120.451 120.200 0.078 0.000 2.153 203 E HA -0.155 4.196 4.350 0.001 0.000 0.194 203 E C 2.339 179.022 176.600 0.138 0.000 0.988 203 E CA 1.396 57.885 56.400 0.149 0.000 0.811 203 E CB -0.175 29.585 29.700 0.099 0.000 0.746 203 E HN 0.834 nan 8.360 nan 0.000 0.466 204 S N 0.102 115.834 115.700 0.053 0.000 2.387 204 S HA -0.153 4.318 4.470 0.001 0.000 0.226 204 S C 1.892 176.627 174.600 0.224 0.000 1.026 204 S CA 0.566 58.825 58.200 0.099 0.000 0.972 204 S CB -0.423 62.808 63.200 0.052 0.000 0.814 204 S HN 0.193 nan 8.310 nan 0.000 0.477 205 Y N 0.734 121.038 120.300 0.007 0.000 2.224 205 Y HA 0.102 4.653 4.550 0.001 0.000 0.289 205 Y C 2.006 177.910 175.900 0.007 0.000 1.146 205 Y CA -0.095 57.970 58.100 -0.059 0.000 1.182 205 Y CB -1.090 37.250 38.460 -0.200 0.000 0.983 205 Y HN 0.299 nan 8.280 nan 0.000 0.524 206 F N 0.099 120.202 119.950 0.254 0.000 2.743 206 F HA 0.040 4.568 4.527 0.001 0.000 0.297 206 F C 0.798 176.712 175.800 0.191 0.000 1.131 206 F CA 0.181 58.323 58.000 0.237 0.000 1.426 206 F CB -0.255 38.905 39.000 0.268 0.000 1.116 206 F HN -0.022 nan 8.300 nan 0.000 0.583 207 Q N 0.501 120.494 119.800 0.321 0.000 2.463 207 Q HA -0.186 4.155 4.340 0.001 0.000 0.299 207 Q C 0.011 176.108 176.000 0.162 0.000 1.353 207 Q CA 0.713 56.633 55.803 0.195 0.000 0.828 207 Q CB -2.665 26.166 28.738 0.156 0.000 1.157 207 Q HN 0.206 nan 8.270 nan 0.000 0.436 208 T N 0.038 114.702 114.554 0.182 0.000 2.870 208 T HA 0.486 4.837 4.350 0.001 0.000 0.300 208 T C 0.758 175.495 174.700 0.062 0.000 0.989 208 T CA 0.541 62.711 62.100 0.117 0.000 1.139 208 T CB 1.337 70.281 68.868 0.128 0.000 0.920 208 T HN 0.475 nan 8.240 nan 0.000 0.537 209 G N 0.710 109.529 108.800 0.032 0.000 2.695 209 G HA2 0.547 4.508 3.960 0.001 0.000 0.290 209 G HA3 0.547 4.508 3.960 0.001 0.000 0.290 209 G C 0.098 175.008 174.900 0.016 0.000 1.410 209 G CA -0.717 44.390 45.100 0.012 0.000 0.844 209 G HN 0.614 nan 8.290 nan 0.000 0.478 210 T N -2.264 112.298 114.554 0.014 0.000 3.296 210 T HA 0.273 4.624 4.350 0.001 0.000 0.285 210 T C 0.137 174.849 174.700 0.021 0.000 1.014 210 T CA 0.408 62.527 62.100 0.031 0.000 0.920 210 T CB 0.336 69.229 68.868 0.040 0.000 1.143 210 T HN 0.507 nan 8.240 nan 0.000 0.522 211 D N 0.196 120.585 120.400 -0.017 0.000 2.520 211 D HA 0.035 4.676 4.640 0.001 0.000 0.223 211 D C 1.319 177.539 176.300 -0.132 0.000 1.186 211 D CA -0.063 53.904 54.000 -0.055 0.000 0.821 211 D CB -0.128 40.636 40.800 -0.059 0.000 1.072 211 D HN 0.272 nan 8.370 nan 0.000 0.518 212 Q N -0.322 119.384 119.800 -0.156 0.000 2.364 212 Q HA 0.108 4.449 4.340 0.001 0.000 0.207 212 Q C 0.274 175.837 176.000 -0.730 0.000 0.970 212 Q CA 1.012 56.570 55.803 -0.409 0.000 0.888 212 Q CB -0.289 28.173 28.738 -0.460 0.000 0.951 212 Q HN 0.309 nan 8.270 nan 0.000 0.469 213 F N -0.376 119.409 119.950 -0.276 0.000 2.735 213 F HA 0.238 4.766 4.527 0.001 0.000 0.308 213 F C 1.163 176.746 175.800 -0.361 0.000 1.112 213 F CA -0.602 57.193 58.000 -0.342 0.000 1.235 213 F CB 0.413 39.140 39.000 -0.455 0.000 1.027 213 F HN -0.016 nan 8.300 nan 0.000 0.528 214 K N 0.342 120.646 120.400 -0.160 0.000 2.211 214 K HA -0.088 4.233 4.320 0.001 0.000 0.203 214 K C 0.711 177.250 176.600 -0.102 0.000 1.050 214 K CA 1.611 57.858 56.287 -0.066 0.000 0.945 214 K CB -0.142 32.312 32.500 -0.078 0.000 0.732 214 K HN 0.321 nan 8.250 nan 0.000 0.451 215 E N 1.684 121.704 120.200 -0.299 0.000 2.496 215 E HA 0.056 4.407 4.350 0.001 0.000 0.200 215 E C -0.723 175.740 176.600 -0.229 0.000 1.016 215 E CA -0.357 55.646 56.400 -0.663 0.000 0.962 215 E CB 0.943 30.052 29.700 -0.985 0.000 1.071 215 E HN 0.224 nan 8.360 nan 0.000 0.457 216 S N 0.490 116.203 115.700 0.021 0.000 2.528 216 S HA 0.139 4.610 4.470 0.001 0.000 0.277 216 S C 1.190 175.888 174.600 0.162 0.000 1.297 216 S CA -0.393 57.877 58.200 0.117 0.000 1.052 216 S CB 0.517 63.838 63.200 0.203 0.000 0.917 216 S HN 0.202 nan 8.310 nan 0.000 0.492 217 I N 4.975 125.517 120.570 -0.048 0.000 2.179 217 I HA -0.155 4.015 4.170 0.001 0.000 0.242 217 I C 2.756 178.699 176.117 -0.290 0.000 1.088 217 I CA 1.245 62.256 61.300 -0.482 0.000 1.357 217 I CB -0.213 37.257 38.000 -0.883 0.000 1.051 217 I HN 0.705 nan 8.210 nan 0.000 0.409 218 R N -0.587 119.831 120.500 -0.138 0.000 2.083 218 R HA -0.249 4.092 4.340 0.001 0.000 0.237 218 R C 2.376 178.696 176.300 0.034 0.000 1.137 218 R CA 1.933 58.003 56.100 -0.050 0.000 0.951 218 R CB -0.773 29.514 30.300 -0.023 0.000 0.851 218 R HN 0.432 nan 8.270 nan 0.000 0.434 219 H N 1.196 120.277 119.070 0.019 0.000 2.265 219 H HA -0.089 4.468 4.556 0.001 0.000 0.295 219 H C 1.798 177.192 175.328 0.109 0.000 1.084 219 H CA 2.066 58.147 56.048 0.056 0.000 1.261 219 H CB -0.152 29.676 29.762 0.111 0.000 1.360 219 H HN 0.137 nan 8.280 nan 0.000 0.487 220 N N 0.037 118.852 118.700 0.191 0.000 2.244 220 N HA -0.123 4.618 4.740 0.001 0.000 0.183 220 N C 2.062 177.717 175.510 0.242 0.000 1.016 220 N CA 0.971 54.170 53.050 0.248 0.000 0.866 220 N CB -0.232 38.602 38.487 0.580 0.000 0.980 220 N HN 0.315 nan 8.380 nan 0.000 0.430 221 L N 1.267 122.638 121.223 0.246 0.000 2.042 221 L HA -0.130 4.211 4.340 0.001 0.000 0.210 221 L C 2.076 179.000 176.870 0.091 0.000 1.076 221 L CA 1.405 56.391 54.840 0.243 0.000 0.749 221 L CB -0.483 41.666 42.059 0.149 0.000 0.893 221 L HN -0.120 nan 8.230 nan 0.000 0.432 222 V N -0.886 119.031 119.914 0.005 0.000 2.346 222 V HA -0.209 3.911 4.120 0.001 0.000 0.244 222 V C 2.393 178.416 176.094 -0.117 0.000 1.037 222 V CA 1.502 63.772 62.300 -0.050 0.000 1.029 222 V CB -0.522 31.243 31.823 -0.096 0.000 0.663 222 V HN 0.516 nan 8.190 nan 0.000 0.454 223 L N 0.916 122.037 121.223 -0.170 0.000 2.012 223 L HA -0.168 4.172 4.340 0.001 0.000 0.210 223 L C 2.179 178.991 176.870 -0.097 0.000 1.073 223 L CA 2.106 56.841 54.840 -0.176 0.000 0.748 223 L CB -0.842 41.076 42.059 -0.235 0.000 0.891 223 L HN 0.298 nan 8.230 nan 0.000 0.431 224 N N -0.071 118.618 118.700 -0.019 0.000 2.142 224 N HA -0.202 4.539 4.740 0.001 0.000 0.186 224 N C 1.826 177.321 175.510 -0.025 0.000 1.023 224 N CA 1.379 54.435 53.050 0.010 0.000 0.852 224 N CB -0.337 38.184 38.487 0.055 0.000 0.998 224 N HN 0.282 nan 8.380 nan 0.000 0.424 225 K N 1.296 121.679 120.400 -0.027 0.000 2.032 225 K HA 0.029 4.350 4.320 0.001 0.000 0.209 225 K C 1.933 178.482 176.600 -0.085 0.000 1.048 225 K CA 1.007 57.273 56.287 -0.035 0.000 0.927 225 K CB -0.493 32.005 32.500 -0.003 0.000 0.712 225 K HN 0.122 nan 8.250 nan 0.000 0.441 226 L N 0.030 121.129 121.223 -0.206 0.000 2.046 226 L HA -0.166 4.175 4.340 0.001 0.000 0.208 226 L C 2.279 178.943 176.870 -0.344 0.000 1.077 226 L CA 1.681 56.272 54.840 -0.415 0.000 0.747 226 L CB -0.783 40.580 42.059 -1.160 0.000 0.896 226 L HN 0.267 nan 8.230 nan 0.000 0.432 227 T N -0.735 113.676 114.554 -0.237 0.000 2.720 227 T HA -0.274 4.076 4.350 0.001 0.000 0.268 227 T C 1.764 176.516 174.700 0.087 0.000 1.037 227 T CA 1.865 64.001 62.100 0.060 0.000 1.144 227 T CB -0.148 68.769 68.868 0.081 0.000 0.864 227 T HN 0.442 nan 8.240 nan 0.000 0.444 228 E N 0.728 120.941 120.200 0.022 0.000 2.047 228 E HA -0.179 4.171 4.350 0.001 0.000 0.191 228 E C 2.161 178.758 176.600 -0.004 0.000 0.987 228 E CA 1.020 57.426 56.400 0.011 0.000 0.799 228 E CB 0.000 29.690 29.700 -0.016 0.000 0.752 228 E HN 0.343 nan 8.360 nan 0.000 0.449 229 E N -0.235 119.945 120.200 -0.033 0.000 2.160 229 E HA -0.181 4.170 4.350 0.001 0.000 0.195 229 E C 0.974 177.418 176.600 -0.261 0.000 0.991 229 E CA 1.049 57.357 56.400 -0.153 0.000 0.810 229 E CB -0.094 29.484 29.700 -0.203 0.000 0.742 229 E HN 0.509 nan 8.360 nan 0.000 0.466 230 Y N 0.459 120.797 120.300 0.063 0.000 2.658 230 Y HA 0.181 4.732 4.550 0.001 0.000 0.276 230 Y C 0.609 176.579 175.900 0.118 0.000 1.167 230 Y CA -0.369 57.813 58.100 0.136 0.000 1.230 230 Y CB 0.252 38.897 38.460 0.308 0.000 1.144 230 Y HN -0.290 nan 8.280 nan 0.000 0.529 231 K N 0.916 121.412 120.400 0.160 0.000 2.437 231 K HA 0.082 4.403 4.320 0.001 0.000 0.277 231 K C 1.141 177.804 176.600 0.105 0.000 1.073 231 K CA 1.322 57.681 56.287 0.120 0.000 1.105 231 K CB -0.143 32.394 32.500 0.061 0.000 0.881 231 K HN 0.709 nan 8.250 nan 0.000 0.475 232 G N 3.269 112.135 108.800 0.110 0.000 2.176 232 G HA2 -0.293 3.668 3.960 0.001 0.000 0.253 232 G HA3 -0.293 3.668 3.960 0.001 0.000 0.253 232 G C 0.643 175.603 174.900 0.099 0.000 0.979 232 G CA 0.595 45.747 45.100 0.086 0.000 0.641 232 G HN 0.716 nan 8.290 nan 0.000 0.530 233 Q N -1.236 118.652 119.800 0.146 0.000 2.532 233 Q HA 0.279 4.620 4.340 0.001 0.000 0.247 233 Q C 1.119 177.212 176.000 0.154 0.000 0.872 233 Q CA 0.313 56.215 55.803 0.166 0.000 0.963 233 Q CB 0.938 29.814 28.738 0.230 0.000 1.159 233 Q HN 0.521 nan 8.270 nan 0.000 0.598 234 R N 0.280 120.877 120.500 0.162 0.000 2.710 234 R HA 0.371 4.712 4.340 0.001 0.000 0.270 234 R C -1.733 174.570 176.300 0.005 0.000 1.021 234 R CA -0.748 55.347 56.100 -0.007 0.000 0.889 234 R CB 1.514 31.596 30.300 -0.362 0.000 1.243 234 R HN -0.060 nan 8.270 nan 0.000 0.464 235 D N 1.118 121.435 120.400 -0.138 0.000 2.185 235 D HA 0.414 5.055 4.640 0.001 0.000 0.247 235 D C -0.807 175.302 176.300 -0.319 0.000 1.027 235 D CA 0.011 53.971 54.000 -0.066 0.000 0.861 235 D CB 1.257 42.042 40.800 -0.025 0.000 1.202 235 D HN 0.131 nan 8.370 nan 0.000 0.453 236 F N 0.842 120.793 119.950 0.001 0.000 2.492 236 F HA 0.390 4.918 4.527 0.002 0.000 0.327 236 F C 0.734 176.544 175.800 0.017 0.000 1.079 236 F CA -0.580 57.412 58.000 -0.013 0.000 0.967 236 F CB 1.708 40.696 39.000 -0.021 0.000 1.169 236 F HN 0.206 nan 8.300 nan 0.000 0.472 237 Q N 0.104 120.002 119.800 0.164 0.000 2.707 237 Q HA 0.350 4.691 4.340 0.001 0.000 0.307 237 Q C -1.475 174.633 176.000 0.181 0.000 0.934 237 Q CA -1.296 54.598 55.803 0.151 0.000 0.753 237 Q CB 1.691 30.484 28.738 0.092 0.000 1.478 237 Q HN 0.616 nan 8.270 nan 0.000 0.458 238 Q N 0.835 120.768 119.800 0.222 0.000 2.364 238 Q HA 0.215 4.555 4.340 0.001 0.000 0.267 238 Q C -0.521 175.550 176.000 0.119 0.000 0.999 238 Q CA -0.167 55.778 55.803 0.236 0.000 0.886 238 Q CB 0.511 29.354 28.738 0.175 0.000 1.243 238 Q HN 0.559 nan 8.270 nan 0.000 0.415 239 I N 6.024 126.645 120.570 0.084 0.000 2.752 239 I HA -0.027 4.144 4.170 0.001 0.000 0.289 239 I C -1.989 174.150 176.117 0.037 0.000 1.197 239 I CA -1.527 59.797 61.300 0.041 0.000 1.432 239 I CB 0.197 38.191 38.000 -0.010 0.000 1.359 239 I HN 0.461 nan 8.210 nan 0.000 0.571 240 P HA 0.241 nan 4.420 nan 0.000 0.271 240 P C -0.904 176.394 177.300 -0.003 0.000 1.226 240 P CA 0.097 63.203 63.100 0.009 0.000 0.765 240 P CB 0.516 32.206 31.700 -0.017 0.000 0.835 241 L N 2.371 123.606 121.223 0.021 0.000 2.365 241 L HA 0.630 4.971 4.340 0.001 0.000 0.273 241 L C 0.257 177.134 176.870 0.011 0.000 1.000 241 L CA -1.175 53.680 54.840 0.025 0.000 0.819 241 L CB 2.077 44.224 42.059 0.146 0.000 1.284 241 L HN 0.266 nan 8.230 nan 0.000 0.418 242 A N 3.261 126.054 122.820 -0.044 0.000 2.539 242 A HA 0.750 5.071 4.320 0.001 0.000 0.306 242 A C 0.014 177.646 177.584 0.079 0.000 1.392 242 A CA 0.181 52.241 52.037 0.037 0.000 1.060 242 A CB -0.315 18.673 19.000 -0.020 0.000 1.134 242 A HN 0.834 nan 8.150 nan 0.000 0.542 243 A N 2.096 124.921 122.820 0.008 0.000 2.586 243 A HA 0.666 4.987 4.320 0.001 0.000 0.298 243 A C -0.519 176.943 177.584 -0.203 0.000 1.013 243 A CA -0.478 51.456 52.037 -0.172 0.000 0.707 243 A CB 0.415 19.126 19.000 -0.481 0.000 1.276 243 A HN 0.804 nan 8.150 nan 0.000 0.414 244 T N 1.380 115.783 114.554 -0.251 0.000 2.841 244 T HA 0.537 4.888 4.350 0.001 0.000 0.285 244 T C 0.007 174.539 174.700 -0.279 0.000 0.991 244 T CA -0.498 61.479 62.100 -0.204 0.000 0.966 244 T CB 1.421 70.232 68.868 -0.095 0.000 0.962 244 T HN 0.752 nan 8.240 nan 0.000 0.438 245 R N 2.040 122.362 120.500 -0.296 0.000 2.442 245 R HA 0.204 4.545 4.340 0.001 0.000 0.291 245 R C 0.704 176.916 176.300 -0.146 0.000 1.069 245 R CA -0.301 55.622 56.100 -0.295 0.000 1.022 245 R CB 0.362 30.454 30.300 -0.348 0.000 0.976 245 R HN 0.434 nan 8.270 nan 0.000 0.443 246 R N 1.062 121.531 120.500 -0.052 0.000 2.307 246 R HA 0.132 4.473 4.340 0.001 0.000 0.200 246 R C 0.024 176.314 176.300 -0.018 0.000 0.893 246 R CA 0.455 56.557 56.100 0.002 0.000 1.042 246 R CB 0.537 30.888 30.300 0.085 0.000 1.059 246 R HN 0.742 nan 8.270 nan 0.000 0.530 247 S N -1.341 114.350 115.700 -0.015 0.000 2.595 247 S HA 0.335 4.806 4.470 0.001 0.000 0.270 247 S C -2.650 171.922 174.600 -0.047 0.000 1.145 247 S CA -0.989 57.200 58.200 -0.019 0.000 0.825 247 S CB 2.063 65.275 63.200 0.020 0.000 1.107 247 S HN -0.266 nan 8.310 nan 0.000 0.461 248 P HA -0.031 nan 4.420 nan 0.000 0.220 248 P C 0.977 178.256 177.300 -0.034 0.000 1.144 248 P CA 1.991 65.056 63.100 -0.058 0.000 0.800 248 P CB -0.152 31.531 31.700 -0.027 0.000 0.772 249 T N -6.970 107.597 114.554 0.022 0.000 3.145 249 T HA 0.300 4.651 4.350 0.001 0.000 0.281 249 T C -0.237 174.536 174.700 0.121 0.000 1.003 249 T CA -0.346 61.789 62.100 0.060 0.000 0.901 249 T CB -0.569 68.353 68.868 0.090 0.000 1.112 249 T HN -0.119 nan 8.240 nan 0.000 0.535 250 F N 1.582 121.472 119.950 -0.100 0.000 2.562 250 F HA 0.656 5.183 4.527 0.001 0.000 0.319 250 F C -1.425 174.241 175.800 -0.222 0.000 1.154 250 F CA -1.023 56.911 58.000 -0.110 0.000 0.931 250 F CB 1.902 40.854 39.000 -0.080 0.000 1.198 250 F HN -0.126 nan 8.300 nan 0.000 0.444 251 V N 5.377 124.892 119.914 -0.665 0.000 2.409 251 V HA 0.270 4.390 4.120 0.001 0.000 0.291 251 V C -0.407 175.082 176.094 -1.009 0.000 1.020 251 V CA -0.798 61.027 62.300 -0.791 0.000 0.848 251 V CB 1.672 32.845 31.823 -1.083 0.000 0.990 251 V HN 0.707 nan 8.190 nan 0.000 0.430 252 E N 4.642 124.510 120.200 -0.553 0.000 2.044 252 E HA 0.170 4.521 4.350 0.001 0.000 0.282 252 E C -1.061 175.303 176.600 -0.395 0.000 1.031 252 E CA -0.591 55.629 56.400 -0.299 0.000 0.824 252 E CB 0.493 30.232 29.700 0.064 0.000 1.076 252 E HN 0.631 nan 8.360 nan 0.000 0.395 253 W N 2.886 124.062 121.300 -0.207 0.000 2.210 253 W HA 0.076 4.737 4.660 0.001 0.000 0.330 253 W C 0.711 177.257 176.519 0.045 0.000 1.334 253 W CA -0.466 56.752 57.345 -0.212 0.000 1.227 253 W CB 0.699 29.776 29.460 -0.638 0.000 1.178 253 W HN 0.330 nan 8.180 nan 0.000 0.560 254 S N 1.604 117.529 115.700 0.375 0.000 2.624 254 S HA 0.626 5.097 4.470 0.001 0.000 0.263 254 S C 0.147 175.215 174.600 0.780 0.000 1.287 254 S CA -0.541 57.959 58.200 0.500 0.000 0.990 254 S CB 1.172 64.689 63.200 0.529 0.000 0.950 254 S HN 0.524 nan 8.310 nan 0.000 0.561 255 S N -0.757 115.328 115.700 0.642 0.000 2.703 255 S HA 0.658 5.129 4.470 0.001 0.000 0.273 255 S C 0.677 175.468 174.600 0.318 0.000 1.178 255 S CA -0.336 58.160 58.200 0.494 0.000 0.838 255 S CB 0.527 63.952 63.200 0.375 0.000 1.178 255 S HN 0.764 nan 8.310 nan 0.000 0.494 256 A N 1.421 124.329 122.820 0.145 0.000 1.986 256 A HA -0.168 4.153 4.320 0.001 0.000 0.220 256 A C 1.982 179.614 177.584 0.080 0.000 1.171 256 A CA 2.073 54.155 52.037 0.076 0.000 0.640 256 A CB -1.437 17.581 19.000 0.030 0.000 0.811 256 A HN 0.848 nan 8.150 nan 0.000 0.451 257 N N -0.492 118.266 118.700 0.096 0.000 2.223 257 N HA -0.143 4.598 4.740 0.001 0.000 0.185 257 N C 1.482 177.019 175.510 0.044 0.000 1.016 257 N CA 1.942 55.020 53.050 0.048 0.000 0.863 257 N CB -0.183 38.344 38.487 0.068 0.000 0.983 257 N HN 0.461 nan 8.380 nan 0.000 0.429 258 T N 0.421 115.049 114.554 0.124 0.000 2.788 258 T HA -0.050 4.301 4.350 0.001 0.000 0.268 258 T C 2.072 176.803 174.700 0.052 0.000 1.044 258 T CA 1.036 63.212 62.100 0.126 0.000 1.139 258 T CB -0.157 68.865 68.868 0.256 0.000 0.867 258 T HN 0.042 nan 8.240 nan 0.000 0.454 259 V N -0.402 119.524 119.914 0.021 0.000 2.323 259 V HA 0.166 4.287 4.120 0.001 0.000 0.244 259 V C 0.509 176.568 176.094 -0.058 0.000 1.041 259 V CA 0.979 63.215 62.300 -0.106 0.000 1.025 259 V CB -0.323 31.385 31.823 -0.192 0.000 0.656 259 V HN 0.483 nan 8.190 nan 0.000 0.451 260 F N 0.843 120.665 119.950 -0.212 0.000 2.604 260 F HA 0.404 4.932 4.527 0.002 0.000 0.316 260 F C 0.156 175.838 175.800 -0.196 0.000 1.136 260 F CA -1.582 56.266 58.000 -0.254 0.000 0.989 260 F CB 1.508 40.307 39.000 -0.336 0.000 1.258 260 F HN 0.162 nan 8.300 nan 0.000 0.451 261 D N 4.483 124.380 120.400 -0.837 0.000 2.363 261 D HA -0.005 4.636 4.640 0.001 0.000 0.220 261 D C 1.135 177.136 176.300 -0.498 0.000 0.994 261 D CA 1.011 54.703 54.000 -0.512 0.000 0.890 261 D CB -0.005 40.559 40.800 -0.394 0.000 0.906 261 D HN 0.666 nan 8.370 nan 0.000 0.530 262 L N -1.757 118.965 121.223 -0.834 0.000 4.696 262 L HA -0.230 4.111 4.340 0.001 0.000 0.425 262 L C -0.303 176.518 176.870 -0.082 0.000 1.115 262 L CA 0.418 55.084 54.840 -0.290 0.000 0.996 262 L CB -1.291 40.767 42.059 -0.002 0.000 2.077 262 L HN 0.240 nan 8.230 nan 0.000 0.792 263 Q N 0.869 120.516 119.800 -0.256 0.000 2.288 263 Q HA 0.252 4.593 4.340 0.001 0.000 0.254 263 Q C 0.354 176.408 176.000 0.090 0.000 0.932 263 Q CA -0.262 55.493 55.803 -0.079 0.000 0.902 263 Q CB 0.768 29.426 28.738 -0.134 0.000 1.203 263 Q HN 0.117 nan 8.270 nan 0.000 0.415 264 N N 2.013 120.767 118.700 0.090 0.000 2.407 264 N HA 0.016 4.757 4.740 0.001 0.000 0.250 264 N C -0.325 175.243 175.510 0.098 0.000 1.236 264 N CA 0.566 53.669 53.050 0.089 0.000 0.879 264 N CB 0.499 38.949 38.487 -0.063 0.000 1.088 264 N HN 0.260 nan 8.380 nan 0.000 0.450 265 R N 1.472 122.059 120.500 0.145 0.000 2.795 265 R HA 0.503 4.844 4.340 0.001 0.000 0.275 265 R C -2.455 173.895 176.300 0.084 0.000 0.981 265 R CA -1.597 54.572 56.100 0.116 0.000 0.917 265 R CB 1.918 32.311 30.300 0.155 0.000 1.202 265 R HN 0.394 nan 8.270 nan 0.000 0.469 266 P HA 0.103 nan 4.420 nan 0.000 0.275 266 P C -1.383 175.965 177.300 0.081 0.000 1.228 266 P CA -0.300 62.876 63.100 0.126 0.000 0.786 266 P CB 0.762 32.593 31.700 0.218 0.000 0.927 267 N N -0.686 118.050 118.700 0.061 0.000 3.102 267 N HA 0.287 5.027 4.740 0.001 0.000 0.299 267 N C 0.675 176.201 175.510 0.026 0.000 1.482 267 N CA -0.732 52.337 53.050 0.032 0.000 0.785 267 N CB -0.558 37.934 38.487 0.008 0.000 1.680 267 N HN 0.046 nan 8.380 nan 0.000 0.594 268 T N -0.801 113.759 114.554 0.011 0.000 2.788 268 T HA -0.092 4.259 4.350 0.001 0.000 0.268 268 T C 0.446 175.147 174.700 0.003 0.000 1.044 268 T CA 1.455 63.558 62.100 0.006 0.000 1.139 268 T CB -0.436 68.431 68.868 -0.002 0.000 0.867 268 T HN 0.482 nan 8.240 nan 0.000 0.454 269 D N 1.004 121.401 120.400 -0.005 0.000 2.234 269 D HA 0.124 4.765 4.640 0.001 0.000 0.205 269 D C 0.930 177.231 176.300 0.001 0.000 0.962 269 D CA 0.531 54.525 54.000 -0.010 0.000 0.855 269 D CB 0.138 40.921 40.800 -0.028 0.000 0.951 269 D HN 0.373 nan 8.370 nan 0.000 0.500 270 A N 1.159 123.988 122.820 0.014 0.000 3.258 270 A HA 0.312 4.632 4.320 0.001 0.000 0.318 270 A C -1.845 175.781 177.584 0.070 0.000 0.990 270 A CA -0.866 51.193 52.037 0.037 0.000 0.885 270 A CB 0.909 19.928 19.000 0.032 0.000 1.090 270 A HN -0.123 nan 8.150 nan 0.000 0.479 271 P HA -0.125 nan 4.420 nan 0.000 0.221 271 P C 0.701 178.100 177.300 0.164 0.000 1.150 271 P CA 1.194 64.347 63.100 0.088 0.000 0.800 271 P CB 0.422 32.147 31.700 0.041 0.000 0.787 272 E N -0.555 119.745 120.200 0.166 0.000 2.463 272 E HA 0.077 4.428 4.350 0.001 0.000 0.193 272 E C 0.217 176.985 176.600 0.280 0.000 1.041 272 E CA -0.071 56.495 56.400 0.277 0.000 0.879 272 E CB 0.274 30.071 29.700 0.163 0.000 0.997 272 E HN 0.447 nan 8.360 nan 0.000 0.478 273 E N 0.457 120.763 120.200 0.177 0.000 2.232 273 E HA 0.429 4.780 4.350 0.001 0.000 0.265 273 E C -0.396 176.223 176.600 0.032 0.000 1.001 273 E CA -0.538 55.918 56.400 0.093 0.000 0.870 273 E CB 1.486 31.247 29.700 0.101 0.000 1.175 273 E HN -0.113 nan 8.360 nan 0.000 0.407 274 R N 1.615 122.107 120.500 -0.013 0.000 2.483 274 R HA 0.436 4.776 4.340 0.001 0.000 0.303 274 R C -1.646 174.734 176.300 0.133 0.000 0.987 274 R CA -0.537 55.532 56.100 -0.051 0.000 0.881 274 R CB 1.025 31.167 30.300 -0.264 0.000 1.177 274 R HN 0.393 nan 8.270 nan 0.000 0.451 275 F N 2.289 122.225 119.950 -0.023 0.000 2.604 275 F HA 0.440 4.968 4.527 0.001 0.000 0.316 275 F C -1.724 174.019 175.800 -0.095 0.000 1.136 275 F CA -0.665 57.321 58.000 -0.024 0.000 0.989 275 F CB 1.927 40.984 39.000 0.094 0.000 1.258 275 F HN 0.410 nan 8.300 nan 0.000 0.451 276 N N 4.798 122.880 118.700 -1.030 0.000 2.296 276 N HA 0.596 5.337 4.740 0.001 0.000 0.294 276 N C -1.991 172.468 175.510 -1.753 0.000 1.033 276 N CA -0.669 51.666 53.050 -1.193 0.000 0.839 276 N CB 2.336 40.311 38.487 -0.854 0.000 1.395 276 N HN 0.579 nan 8.380 nan 0.000 0.479 277 L N 2.419 122.812 121.223 -1.382 0.000 2.295 277 L HA 0.641 4.982 4.340 0.001 0.000 0.285 277 L C -1.631 174.642 176.870 -0.996 0.000 1.035 277 L CA -0.259 54.021 54.840 -0.934 0.000 0.806 277 L CB 0.160 42.039 42.059 -0.299 0.000 1.214 277 L HN 0.472 nan 8.230 nan 0.000 0.426 278 F N 6.278 125.964 119.950 -0.441 0.000 2.443 278 F HA 0.522 5.050 4.527 0.001 0.000 0.369 278 F C -2.129 173.601 175.800 -0.116 0.000 1.090 278 F CA -2.053 55.777 58.000 -0.285 0.000 1.129 278 F CB 0.646 39.418 39.000 -0.381 0.000 1.367 278 F HN 0.416 nan 8.300 nan 0.000 0.465 279 P HA 0.259 nan 4.420 nan 0.000 0.274 279 P C 0.188 177.537 177.300 0.083 0.000 1.256 279 P CA -0.035 63.096 63.100 0.052 0.000 0.795 279 P CB 0.941 32.654 31.700 0.021 0.000 1.038 280 A N -1.142 121.713 122.820 0.059 0.000 2.822 280 A HA -0.113 4.208 4.320 0.001 0.000 0.287 280 A C -0.005 177.607 177.584 0.047 0.000 1.479 280 A CA 0.800 52.866 52.037 0.049 0.000 0.779 280 A CB -2.428 16.599 19.000 0.046 0.000 1.022 280 A HN 0.265 nan 8.150 nan 0.000 0.532 281 V N -0.184 119.775 119.914 0.075 0.000 2.376 281 V HA 0.652 4.772 4.120 0.001 0.000 0.287 281 V C 0.620 176.724 176.094 0.016 0.000 1.015 281 V CA -0.278 62.067 62.300 0.075 0.000 0.834 281 V CB 1.460 33.428 31.823 0.241 0.000 1.001 281 V HN 1.422 nan 8.190 nan 0.000 0.428 282 A N 4.419 127.225 122.820 -0.024 0.000 2.350 282 A HA 0.418 4.739 4.320 0.001 0.000 0.293 282 A C 0.219 177.781 177.584 -0.037 0.000 1.231 282 A CA -0.174 51.836 52.037 -0.045 0.000 0.883 282 A CB -0.212 18.816 19.000 0.046 0.000 1.133 282 A HN 0.865 nan 8.150 nan 0.000 0.533 283 C N 2.866 122.120 119.300 -0.077 0.000 2.499 283 C HA 0.293 4.754 4.460 0.001 0.000 0.386 283 C C 1.408 176.373 174.990 -0.042 0.000 1.293 283 C CA -0.205 58.756 59.018 -0.095 0.000 1.884 283 C CB -0.448 27.228 27.740 -0.107 0.000 2.509 283 C HN 1.005 nan 8.230 nan 0.000 0.566 284 E N 0.946 121.158 120.200 0.020 0.000 2.290 284 E HA 0.101 4.452 4.350 0.001 0.000 0.199 284 E C 0.101 176.711 176.600 0.016 0.000 0.912 284 E CA 0.372 56.808 56.400 0.060 0.000 0.924 284 E CB 0.423 30.236 29.700 0.188 0.000 0.901 284 E HN 0.708 nan 8.360 nan 0.000 0.487 285 R N 0.477 120.994 120.500 0.028 0.000 2.629 285 R HA 0.403 4.744 4.340 0.001 0.000 0.266 285 R C -0.889 175.394 176.300 -0.030 0.000 1.051 285 R CA -0.784 55.305 56.100 -0.019 0.000 0.895 285 R CB 1.490 31.760 30.300 -0.051 0.000 1.246 285 R HN -0.109 nan 8.270 nan 0.000 0.459 286 V N -0.626 119.251 119.914 -0.062 0.000 2.439 286 V HA 0.531 4.652 4.120 0.001 0.000 0.282 286 V C 0.246 176.280 176.094 -0.101 0.000 1.039 286 V CA -0.881 61.342 62.300 -0.129 0.000 0.913 286 V CB 1.567 33.278 31.823 -0.186 0.000 0.983 286 V HN 0.491 nan 8.190 nan 0.000 0.460 287 V N 5.666 125.505 119.914 -0.125 0.000 2.461 287 V HA 0.414 4.535 4.120 0.001 0.000 0.275 287 V C 0.686 176.749 176.094 -0.052 0.000 1.047 287 V CA -0.361 61.892 62.300 -0.077 0.000 0.955 287 V CB 0.748 32.541 31.823 -0.050 0.000 0.988 287 V HN 0.922 nan 8.190 nan 0.000 0.471 288 R N 3.857 124.343 120.500 -0.023 0.000 2.349 288 R HA 0.311 4.651 4.340 0.001 0.000 0.299 288 R C 0.289 176.623 176.300 0.056 0.000 1.027 288 R CA -0.615 55.532 56.100 0.078 0.000 0.958 288 R CB 0.783 31.105 30.300 0.036 0.000 1.047 288 R HN 0.885 nan 8.270 nan 0.000 0.468 289 N N 1.750 120.500 118.700 0.084 0.000 2.326 289 N HA -0.021 4.719 4.740 0.001 0.000 0.239 289 N C 0.594 176.102 175.510 -0.004 0.000 1.301 289 N CA 0.189 53.255 53.050 0.026 0.000 0.909 289 N CB 0.520 39.020 38.487 0.020 0.000 1.156 289 N HN 0.568 nan 8.380 nan 0.000 0.462 290 A N 0.559 123.369 122.820 -0.016 0.000 1.972 290 A HA -0.071 4.250 4.320 0.001 0.000 0.219 290 A C 2.184 179.741 177.584 -0.045 0.000 1.169 290 A CA 0.986 53.007 52.037 -0.027 0.000 0.635 290 A CB -0.786 18.201 19.000 -0.022 0.000 0.810 290 A HN 0.656 nan 8.150 nan 0.000 0.446 291 L N -0.878 120.309 121.223 -0.061 0.000 2.554 291 L HA -0.011 4.330 4.340 0.001 0.000 0.226 291 L C 0.042 176.813 176.870 -0.164 0.000 1.137 291 L CA -0.044 54.741 54.840 -0.091 0.000 0.863 291 L CB -0.418 41.588 42.059 -0.088 0.000 0.985 291 L HN 0.378 nan 8.230 nan 0.000 0.451 292 N N 0.296 118.883 118.700 -0.188 0.000 2.714 292 N HA -0.188 4.553 4.740 0.001 0.000 0.253 292 N C 0.823 175.726 175.510 -1.012 0.000 1.024 292 N CA 1.049 53.861 53.050 -0.398 0.000 0.726 292 N CB -1.072 37.330 38.487 -0.143 0.000 0.908 292 N HN 0.550 nan 8.380 nan 0.000 0.542 293 S N -2.354 112.868 115.700 -0.797 0.000 2.728 293 S HA 0.268 4.739 4.470 0.001 0.000 0.257 293 S C 0.214 174.572 174.600 -0.402 0.000 1.060 293 S CA -0.300 57.522 58.200 -0.630 0.000 1.126 293 S CB 1.580 64.626 63.200 -0.257 0.000 1.099 293 S HN 0.335 nan 8.310 nan 0.000 0.617 294 E N 0.436 120.515 120.200 -0.202 0.000 2.352 294 E HA 0.444 4.795 4.350 0.001 0.000 0.280 294 E C -1.652 175.155 176.600 0.345 0.000 0.930 294 E CA -0.814 55.694 56.400 0.181 0.000 0.765 294 E CB 1.450 31.221 29.700 0.119 0.000 1.219 294 E HN 0.108 nan 8.360 nan 0.000 0.434 295 I N 3.471 124.217 120.570 0.294 0.000 2.395 295 I HA 0.108 4.279 4.170 0.001 0.000 0.289 295 I C 0.946 177.020 176.117 -0.072 0.000 1.023 295 I CA 0.194 61.484 61.300 -0.017 0.000 1.350 295 I CB 1.193 38.953 38.000 -0.400 0.000 1.409 295 I HN 0.675 nan 8.210 nan 0.000 0.507 296 E N 3.175 123.324 120.200 -0.085 0.000 2.340 296 E HA 0.087 4.438 4.350 0.001 0.000 0.198 296 E C 0.262 176.894 176.600 0.053 0.000 0.961 296 E CA 0.358 56.777 56.400 0.031 0.000 0.905 296 E CB 0.577 30.300 29.700 0.038 0.000 0.884 296 E HN 0.715 nan 8.360 nan 0.000 0.491 297 S N -0.384 115.263 115.700 -0.089 0.000 2.615 297 S HA 0.472 4.943 4.470 0.001 0.000 0.268 297 S C -1.514 173.034 174.600 -0.087 0.000 1.146 297 S CA -1.055 57.165 58.200 0.033 0.000 0.818 297 S CB 1.276 64.525 63.200 0.081 0.000 1.111 297 S HN 0.009 nan 8.310 nan 0.000 0.465 298 L N 2.260 123.530 121.223 0.077 0.000 2.280 298 L HA 0.616 4.957 4.340 0.001 0.000 0.287 298 L C -0.503 176.358 176.870 -0.015 0.000 1.023 298 L CA -0.149 54.694 54.840 0.004 0.000 0.819 298 L CB 0.835 42.917 42.059 0.038 0.000 1.212 298 L HN 1.004 nan 8.230 nan 0.000 0.420 299 H N 5.479 124.499 119.070 -0.083 0.000 2.690 299 H HA 0.579 5.136 4.556 0.001 0.000 0.314 299 H C -0.408 174.863 175.328 -0.094 0.000 1.069 299 H CA -0.067 55.940 56.048 -0.069 0.000 1.436 299 H CB 0.649 30.375 29.762 -0.059 0.000 1.462 299 H HN 0.671 nan 8.280 nan 0.000 0.511 300 I N 1.923 122.140 120.570 -0.589 0.000 2.892 300 I HA 0.400 4.571 4.170 0.001 0.000 0.306 300 I C -1.241 174.699 176.117 -0.295 0.000 1.078 300 I CA -1.040 60.038 61.300 -0.370 0.000 1.032 300 I CB 2.541 40.307 38.000 -0.391 0.000 1.229 300 I HN 0.691 nan 8.210 nan 0.000 0.435 301 H N 3.420 122.385 119.070 -0.174 0.000 2.860 301 H HA 0.221 4.778 4.556 0.001 0.000 0.312 301 H C -1.449 173.889 175.328 0.016 0.000 0.995 301 H CA -0.644 55.361 56.048 -0.071 0.000 1.311 301 H CB 1.403 31.163 29.762 -0.003 0.000 1.478 301 H HN 0.782 nan 8.280 nan 0.000 0.508 302 D N 5.735 126.121 120.400 -0.024 0.000 2.358 302 D HA -0.016 4.625 4.640 0.001 0.000 0.258 302 D C 1.310 177.444 176.300 -0.277 0.000 1.223 302 D CA -0.044 53.929 54.000 -0.045 0.000 0.886 302 D CB 0.935 41.832 40.800 0.162 0.000 1.120 302 D HN 0.686 nan 8.370 nan 0.000 0.482 303 L N 4.229 125.300 121.223 -0.253 0.000 2.217 303 L HA -0.145 4.195 4.340 0.001 0.000 0.211 303 L C 1.992 178.806 176.870 -0.093 0.000 1.107 303 L CA 0.258 54.953 54.840 -0.242 0.000 0.783 303 L CB -0.175 41.841 42.059 -0.071 0.000 0.919 303 L HN 0.508 nan 8.230 nan 0.000 0.442 304 I N -0.140 120.410 120.570 -0.034 0.000 2.206 304 I HA -0.180 3.991 4.170 0.001 0.000 0.239 304 I C 2.844 178.969 176.117 0.015 0.000 1.078 304 I CA 1.817 63.120 61.300 0.006 0.000 1.367 304 I CB -1.331 36.687 38.000 0.029 0.000 1.078 304 I HN 0.285 nan 8.210 nan 0.000 0.413 305 S N 0.576 116.296 115.700 0.032 0.000 2.428 305 S HA 0.022 4.493 4.470 0.001 0.000 0.230 305 S C 1.865 176.492 174.600 0.045 0.000 1.014 305 S CA 1.183 59.416 58.200 0.055 0.000 0.957 305 S CB -0.175 63.089 63.200 0.107 0.000 0.784 305 S HN 0.662 nan 8.310 nan 0.000 0.499 306 G N 0.707 109.520 108.800 0.022 0.000 2.176 306 G HA2 -0.186 3.775 3.960 0.001 0.000 0.253 306 G HA3 -0.186 3.775 3.960 0.001 0.000 0.253 306 G C -0.380 174.600 174.900 0.134 0.000 0.979 306 G CA 0.195 45.347 45.100 0.086 0.000 0.641 306 G HN 0.580 nan 8.290 nan 0.000 0.530 307 D N 0.530 120.956 120.400 0.043 0.000 2.304 307 D HA 0.498 5.139 4.640 0.001 0.000 0.247 307 D C 0.902 177.073 176.300 -0.214 0.000 1.089 307 D CA -0.011 53.895 54.000 -0.158 0.000 0.910 307 D CB 0.669 41.257 40.800 -0.352 0.000 1.199 307 D HN 0.354 nan 8.370 nan 0.000 0.426 308 R N 1.269 121.538 120.500 -0.385 0.000 2.474 308 R HA 0.578 4.919 4.340 0.001 0.000 0.295 308 R C -0.649 175.241 176.300 -0.683 0.000 0.980 308 R CA -0.560 55.318 56.100 -0.370 0.000 0.934 308 R CB 1.053 31.280 30.300 -0.121 0.000 1.101 308 R HN 0.288 nan 8.270 nan 0.000 0.469 309 F N -0.056 119.745 119.950 -0.248 0.000 2.613 309 F HA 0.335 4.863 4.527 0.001 0.000 0.314 309 F C 0.133 175.815 175.800 -0.197 0.000 1.075 309 F CA -0.979 56.921 58.000 -0.166 0.000 0.945 309 F CB 1.939 40.850 39.000 -0.147 0.000 1.310 309 F HN 0.224 nan 8.300 nan 0.000 0.467 310 E N 2.640 122.921 120.200 0.135 0.000 2.151 310 E HA 0.471 4.822 4.350 0.001 0.000 0.275 310 E C -1.039 175.607 176.600 0.078 0.000 0.936 310 E CA -0.577 55.873 56.400 0.082 0.000 0.777 310 E CB 2.440 32.202 29.700 0.104 0.000 1.108 310 E HN 0.268 nan 8.360 nan 0.000 0.401 311 I N 2.436 123.033 120.570 0.046 0.000 2.441 311 I HA 0.300 4.471 4.170 0.001 0.000 0.295 311 I C 0.087 176.312 176.117 0.180 0.000 0.994 311 I CA -0.834 60.515 61.300 0.082 0.000 1.144 311 I CB 1.596 39.593 38.000 -0.006 0.000 1.314 311 I HN 0.338 nan 8.210 nan 0.000 0.445 312 K N 4.144 124.657 120.400 0.188 0.000 2.138 312 K HA 0.818 5.139 4.320 0.001 0.000 0.263 312 K C -1.032 175.651 176.600 0.138 0.000 0.965 312 K CA -0.303 56.109 56.287 0.207 0.000 0.868 312 K CB 1.800 34.387 32.500 0.146 0.000 1.083 312 K HN 0.820 nan 8.250 nan 0.000 0.443 313 A N 2.737 125.559 122.820 0.004 0.000 2.606 313 A HA 0.331 4.652 4.320 0.001 0.000 0.293 313 A C -0.519 176.926 177.584 -0.231 0.000 1.082 313 A CA -0.721 51.172 52.037 -0.240 0.000 0.685 313 A CB 1.111 19.765 19.000 -0.577 0.000 1.284 313 A HN 0.796 nan 8.150 nan 0.000 0.408 314 D N -0.290 120.036 120.400 -0.123 0.000 2.144 314 D HA 0.047 4.688 4.640 0.001 0.000 0.200 314 D C 0.455 176.651 176.300 -0.173 0.000 0.978 314 D CA 1.876 55.868 54.000 -0.013 0.000 0.833 314 D CB 0.082 40.940 40.800 0.097 0.000 0.961 314 D HN 0.259 nan 8.370 nan 0.000 0.470 315 V N 0.355 120.005 119.914 -0.442 0.000 2.709 315 V HA 0.288 4.408 4.120 0.001 0.000 0.308 315 V C -1.253 174.565 176.094 -0.460 0.000 1.062 315 V CA -0.890 61.149 62.300 -0.435 0.000 0.901 315 V CB 1.910 33.342 31.823 -0.651 0.000 1.003 315 V HN -0.063 nan 8.190 nan 0.000 0.425 316 Y N 2.730 123.015 120.300 -0.024 0.000 2.328 316 Y HA 0.671 5.222 4.550 0.001 0.000 0.336 316 Y C -0.116 175.747 175.900 -0.062 0.000 0.960 316 Y CA -0.864 57.210 58.100 -0.044 0.000 1.134 316 Y CB 2.120 40.561 38.460 -0.033 0.000 1.166 316 Y HN 0.367 nan 8.280 nan 0.000 0.464 317 V N 5.563 125.438 119.914 -0.065 0.000 2.448 317 V HA 0.382 4.503 4.120 0.001 0.000 0.295 317 V C -0.360 175.610 176.094 -0.208 0.000 1.025 317 V CA -0.910 61.245 62.300 -0.242 0.000 0.859 317 V CB 1.618 33.076 31.823 -0.608 0.000 0.988 317 V HN 0.592 nan 8.190 nan 0.000 0.431 318 L N 5.248 126.348 121.223 -0.206 0.000 2.262 318 L HA 0.505 4.846 4.340 0.001 0.000 0.288 318 L C 0.419 177.190 176.870 -0.164 0.000 1.035 318 L CA -0.165 54.571 54.840 -0.173 0.000 0.820 318 L CB 1.384 43.321 42.059 -0.203 0.000 1.204 318 L HN 0.811 nan 8.230 nan 0.000 0.424 319 T N -1.557 112.932 114.554 -0.108 0.000 3.516 319 T HA 0.365 4.716 4.350 0.001 0.000 0.245 319 T C 0.724 175.433 174.700 0.015 0.000 1.077 319 T CA -0.183 61.898 62.100 -0.032 0.000 1.222 319 T CB 1.014 69.864 68.868 -0.029 0.000 1.045 319 T HN 0.530 nan 8.240 nan 0.000 0.585 320 A N 0.840 123.676 122.820 0.027 0.000 2.307 320 A HA 0.748 5.068 4.320 0.001 0.000 0.218 320 A C 1.406 179.067 177.584 0.129 0.000 1.228 320 A CA 0.091 52.169 52.037 0.068 0.000 0.857 320 A CB -0.833 18.205 19.000 0.064 0.000 0.897 320 A HN 1.697 nan 8.150 nan 0.000 0.495 321 G N -2.594 106.281 108.800 0.125 0.000 2.662 321 G HA2 0.256 4.217 3.960 0.001 0.000 0.686 321 G HA3 0.256 4.217 3.960 0.001 0.000 0.686 321 G C 0.751 175.754 174.900 0.172 0.000 1.271 321 G CA -0.301 44.881 45.100 0.137 0.000 0.816 321 G HN 1.279 nan 8.290 nan 0.000 0.608 322 A N -0.460 122.445 122.820 0.142 0.000 1.972 322 A HA 0.214 4.535 4.320 0.001 0.000 0.219 322 A C 2.617 180.288 177.584 0.144 0.000 1.169 322 A CA 3.257 55.372 52.037 0.130 0.000 0.635 322 A CB -0.333 18.717 19.000 0.084 0.000 0.810 322 A HN 1.583 nan 8.150 nan 0.000 0.446 323 V N -1.133 118.824 119.914 0.071 0.000 2.331 323 V HA -0.169 3.952 4.120 0.001 0.000 0.242 323 V C 2.204 178.315 176.094 0.029 0.000 1.034 323 V CA 2.051 64.359 62.300 0.013 0.000 1.027 323 V CB -1.048 30.662 31.823 -0.188 0.000 0.667 323 V HN 0.722 nan 8.190 nan 0.000 0.457 324 H N -0.059 119.083 119.070 0.120 0.000 2.502 324 H HA -0.028 4.529 4.556 0.001 0.000 0.283 324 H C 2.282 177.609 175.328 -0.001 0.000 1.015 324 H CA 0.957 57.035 56.048 0.049 0.000 1.298 324 H CB 0.094 29.863 29.762 0.012 0.000 1.411 324 H HN 0.325 nan 8.280 nan 0.000 0.556 325 N N -0.019 118.757 118.700 0.127 0.000 2.069 325 N HA -0.133 4.608 4.740 0.001 0.000 0.191 325 N C 1.796 177.292 175.510 -0.022 0.000 1.031 325 N CA 1.869 54.922 53.050 0.005 0.000 0.852 325 N CB -0.589 37.866 38.487 -0.054 0.000 1.018 325 N HN 0.329 nan 8.380 nan 0.000 0.423 326 T N 1.014 115.635 114.554 0.111 0.000 2.720 326 T HA -0.188 4.162 4.350 0.001 0.000 0.268 326 T C 1.847 176.415 174.700 -0.220 0.000 1.037 326 T CA 1.215 63.370 62.100 0.092 0.000 1.144 326 T CB -0.230 68.836 68.868 0.330 0.000 0.864 326 T HN 0.374 nan 8.240 nan 0.000 0.444 327 Q N 0.163 119.737 119.800 -0.377 0.000 2.050 327 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 327 Q C 2.333 178.074 176.000 -0.432 0.000 0.980 327 Q CA 1.211 56.482 55.803 -0.887 0.000 0.840 327 Q CB -0.255 28.269 28.738 -0.356 0.000 0.898 327 Q HN 0.380 nan 8.270 nan 0.000 0.424 328 L N 0.676 121.775 121.223 -0.206 0.000 2.046 328 L HA -0.148 4.193 4.340 0.001 0.000 0.208 328 L C 2.085 178.880 176.870 -0.126 0.000 1.077 328 L CA 1.558 56.315 54.840 -0.138 0.000 0.747 328 L CB -0.597 41.400 42.059 -0.104 0.000 0.896 328 L HN 0.305 nan 8.230 nan 0.000 0.432 329 L N -1.840 119.292 121.223 -0.151 0.000 2.017 329 L HA -0.211 4.130 4.340 0.001 0.000 0.208 329 L C 2.429 179.339 176.870 0.067 0.000 1.073 329 L CA 1.101 55.890 54.840 -0.084 0.000 0.745 329 L CB -0.690 41.215 42.059 -0.256 0.000 0.894 329 L HN 0.080 nan 8.230 nan 0.000 0.432 330 V N -0.050 119.822 119.914 -0.070 0.000 2.407 330 V HA -0.265 3.856 4.120 0.001 0.000 0.248 330 V C 2.100 178.163 176.094 -0.051 0.000 1.055 330 V CA 1.921 64.198 62.300 -0.038 0.000 1.049 330 V CB -0.715 31.046 31.823 -0.104 0.000 0.662 330 V HN 0.489 nan 8.190 nan 0.000 0.455 331 N N -0.049 118.581 118.700 -0.116 0.000 2.520 331 N HA -0.093 4.648 4.740 0.001 0.000 0.185 331 N C 1.485 176.966 175.510 -0.048 0.000 1.068 331 N CA 1.109 54.111 53.050 -0.082 0.000 0.911 331 N CB -0.018 38.410 38.487 -0.099 0.000 0.961 331 N HN 0.393 nan 8.380 nan 0.000 0.446 332 S N -1.688 114.009 115.700 -0.005 0.000 2.554 332 S HA 0.354 4.825 4.470 0.001 0.000 0.226 332 S C 0.974 175.526 174.600 -0.081 0.000 0.980 332 S CA 0.172 58.368 58.200 -0.007 0.000 0.939 332 S CB 0.738 63.991 63.200 0.089 0.000 0.832 332 S HN 0.512 nan 8.310 nan 0.000 0.486 333 G N 1.164 109.925 108.800 -0.065 0.000 2.159 333 G HA2 -0.222 3.739 3.960 0.001 0.000 0.227 333 G HA3 -0.222 3.739 3.960 0.001 0.000 0.227 333 G C -0.094 174.684 174.900 -0.203 0.000 0.986 333 G CA -0.566 44.447 45.100 -0.144 0.000 0.651 333 G HN 0.411 nan 8.290 nan 0.000 0.523 334 F N 0.856 120.776 119.950 -0.050 0.000 2.371 334 F HA 0.554 5.081 4.527 0.001 0.000 0.329 334 F C 1.609 177.418 175.800 0.014 0.000 1.107 334 F CA 0.921 58.905 58.000 -0.026 0.000 1.137 334 F CB 1.054 40.010 39.000 -0.073 0.000 1.214 334 F HN 0.751 nan 8.300 nan 0.000 0.536 335 G N 1.883 110.825 108.800 0.237 0.000 2.582 335 G HA2 -0.292 3.669 3.960 0.001 0.000 0.288 335 G HA3 -0.292 3.669 3.960 0.001 0.000 0.288 335 G C -0.734 174.242 174.900 0.127 0.000 1.247 335 G CA 0.178 45.385 45.100 0.179 0.000 0.972 335 G HN 0.858 nan 8.290 nan 0.000 0.557 336 Q N -1.102 118.780 119.800 0.136 0.000 2.285 336 Q HA 0.620 4.961 4.340 0.001 0.000 0.269 336 Q C -1.167 174.919 176.000 0.143 0.000 1.030 336 Q CA -1.014 54.850 55.803 0.101 0.000 0.788 336 Q CB 1.709 30.486 28.738 0.065 0.000 1.266 336 Q HN 0.816 nan 8.270 nan 0.000 0.438 337 L N 3.622 124.916 121.223 0.118 0.000 2.371 337 L HA 0.762 5.103 4.340 0.001 0.000 0.272 337 L C 0.422 177.373 176.870 0.135 0.000 1.124 337 L CA 2.019 56.955 54.840 0.160 0.000 0.816 337 L CB 0.958 43.084 42.059 0.111 0.000 1.129 337 L HN 0.866 nan 8.230 nan 0.000 0.448 338 G N 3.903 112.840 108.800 0.228 0.000 2.685 338 G HA2 -0.205 3.756 3.960 0.001 0.000 0.387 338 G HA3 -0.205 3.756 3.960 0.001 0.000 0.387 338 G C -0.488 174.294 174.900 -0.197 0.000 1.324 338 G CA -0.235 44.950 45.100 0.141 0.000 0.878 338 G HN 0.894 nan 8.290 nan 0.000 0.527 339 R N 0.669 120.814 120.500 -0.592 0.000 2.522 339 R HA 0.366 4.707 4.340 0.001 0.000 0.284 339 R C -1.951 173.902 176.300 -0.745 0.000 1.032 339 R CA -0.631 54.697 56.100 -1.287 0.000 1.049 339 R CB -0.035 29.774 30.300 -0.817 0.000 0.956 339 R HN 0.332 nan 8.270 nan 0.000 0.422 340 P HA -0.101 nan 4.420 nan 0.000 0.261 340 P C -1.309 175.830 177.300 -0.268 0.000 1.173 340 P CA 0.634 63.491 63.100 -0.404 0.000 0.760 340 P CB 0.318 31.799 31.700 -0.364 0.000 0.783 341 N N 4.024 122.624 118.700 -0.166 0.000 2.549 341 N HA 0.211 4.952 4.740 0.001 0.000 0.281 341 N C -2.085 173.383 175.510 -0.070 0.000 1.084 341 N CA -1.928 51.054 53.050 -0.113 0.000 0.862 341 N CB 1.537 39.964 38.487 -0.100 0.000 1.333 341 N HN 0.071 nan 8.380 nan 0.000 0.523 342 P HA 0.044 nan 4.420 nan 0.000 0.225 342 P C 1.041 178.326 177.300 -0.025 0.000 1.156 342 P CA 0.466 63.544 63.100 -0.035 0.000 0.787 342 P CB 0.238 31.917 31.700 -0.034 0.000 0.802 343 A N -0.606 122.196 122.820 -0.030 0.000 2.070 343 A HA -0.118 4.202 4.320 0.001 0.000 0.220 343 A C 1.479 179.052 177.584 -0.018 0.000 1.159 343 A CA 1.133 53.157 52.037 -0.022 0.000 0.656 343 A CB -0.825 18.160 19.000 -0.025 0.000 0.800 343 A HN 0.142 nan 8.150 nan 0.000 0.453 344 N N 0.579 119.266 118.700 -0.021 0.000 2.904 344 N HA 0.277 5.017 4.740 0.001 0.000 0.257 344 N C -3.185 172.320 175.510 -0.008 0.000 1.363 344 N CA -1.157 51.884 53.050 -0.016 0.000 0.856 344 N CB 1.066 39.540 38.487 -0.022 0.000 1.166 344 N HN 0.125 nan 8.380 nan 0.000 0.499 345 P HA 0.296 nan 4.420 nan 0.000 0.275 345 P C -2.500 174.811 177.300 0.018 0.000 1.227 345 P CA -0.973 62.133 63.100 0.011 0.000 0.781 345 P CB 0.082 31.790 31.700 0.014 0.000 0.906 346 P HA 0.172 nan 4.420 nan 0.000 0.275 346 P C 0.810 178.134 177.300 0.041 0.000 1.228 346 P CA -0.175 62.948 63.100 0.039 0.000 0.786 346 P CB 1.041 32.780 31.700 0.064 0.000 0.927 347 E N 0.473 120.690 120.200 0.027 0.000 2.077 347 E HA -0.065 4.286 4.350 0.001 0.000 0.193 347 E C 0.161 176.793 176.600 0.052 0.000 0.989 347 E CA 1.054 57.468 56.400 0.023 0.000 0.800 347 E CB 0.074 29.772 29.700 -0.003 0.000 0.746 347 E HN 0.422 nan 8.360 nan 0.000 0.452 348 L N 0.431 121.699 121.223 0.074 0.000 2.381 348 L HA 0.292 4.633 4.340 0.001 0.000 0.268 348 L C 0.004 177.003 176.870 0.215 0.000 0.997 348 L CA -0.756 54.174 54.840 0.150 0.000 0.818 348 L CB 2.064 44.193 42.059 0.118 0.000 1.310 348 L HN 0.044 nan 8.230 nan 0.000 0.416 349 L N 2.996 124.365 121.223 0.244 0.000 3.823 349 L HA -0.174 4.167 4.340 0.001 0.000 0.525 349 L C -1.440 175.542 176.870 0.187 0.000 1.247 349 L CA -0.454 54.525 54.840 0.233 0.000 0.776 349 L CB -0.878 41.342 42.059 0.269 0.000 1.443 349 L HN 0.604 nan 8.230 nan 0.000 0.831 350 P HA -0.117 nan 4.420 nan 0.000 0.225 350 P C 1.228 178.626 177.300 0.165 0.000 1.148 350 P CA 1.033 64.212 63.100 0.132 0.000 0.779 350 P CB 0.353 32.112 31.700 0.099 0.000 0.780 351 S N -0.679 115.135 115.700 0.191 0.000 2.575 351 S HA 0.074 4.545 4.470 0.001 0.000 0.215 351 S C 0.825 175.584 174.600 0.265 0.000 0.966 351 S CA -0.423 57.934 58.200 0.262 0.000 0.911 351 S CB -0.642 62.697 63.200 0.232 0.000 0.780 351 S HN 0.073 nan 8.310 nan 0.000 0.514 352 L N 2.197 123.554 121.223 0.223 0.000 2.513 352 L HA 0.420 4.761 4.340 0.001 0.000 0.272 352 L C 1.145 178.160 176.870 0.241 0.000 1.187 352 L CA 1.118 56.092 54.840 0.224 0.000 0.895 352 L CB -0.231 41.945 42.059 0.196 0.000 1.147 352 L HN 0.322 nan 8.230 nan 0.000 0.483 353 G N 2.427 111.379 108.800 0.254 0.000 2.168 353 G HA2 -0.268 3.692 3.960 0.001 0.000 0.263 353 G HA3 -0.268 3.692 3.960 0.001 0.000 0.263 353 G C 0.405 175.434 174.900 0.214 0.000 0.977 353 G CA 0.376 45.624 45.100 0.247 0.000 0.659 353 G HN 0.829 nan 8.290 nan 0.000 0.533 354 S N -1.684 114.152 115.700 0.227 0.000 2.704 354 S HA 0.655 5.126 4.470 0.001 0.000 0.305 354 S C 0.378 175.122 174.600 0.241 0.000 1.107 354 S CA 0.050 58.318 58.200 0.114 0.000 0.993 354 S CB 0.921 64.115 63.200 -0.010 0.000 1.110 354 S HN 0.922 nan 8.310 nan 0.000 0.534 355 Y N -0.881 119.492 120.300 0.122 0.000 4.177 355 Y HA -0.209 4.342 4.550 0.002 0.000 0.227 355 Y C 0.529 176.518 175.900 0.148 0.000 1.154 355 Y CA 0.240 58.411 58.100 0.119 0.000 1.887 355 Y CB -2.187 36.337 38.460 0.108 0.000 1.594 355 Y HN 0.609 nan 8.280 nan 0.000 0.668 356 I N -0.018 120.710 120.570 0.262 0.000 2.754 356 I HA 0.448 4.619 4.170 0.001 0.000 0.285 356 I C 0.681 176.976 176.117 0.297 0.000 1.166 356 I CA 0.422 61.880 61.300 0.263 0.000 1.417 356 I CB 1.231 39.383 38.000 0.255 0.000 1.382 356 I HN 0.201 nan 8.210 nan 0.000 0.588 357 T N 1.913 116.605 114.554 0.230 0.000 2.863 357 T HA 0.690 5.040 4.350 0.001 0.000 0.285 357 T C -0.648 174.090 174.700 0.064 0.000 1.009 357 T CA -0.697 61.527 62.100 0.208 0.000 0.989 357 T CB 2.108 71.049 68.868 0.121 0.000 1.004 357 T HN 0.840 nan 8.240 nan 0.000 0.455 358 E N 1.057 121.271 120.200 0.024 0.000 2.356 358 E HA 0.375 4.726 4.350 0.001 0.000 0.275 358 E C -1.156 175.558 176.600 0.191 0.000 0.904 358 E CA -0.588 55.775 56.400 -0.061 0.000 0.757 358 E CB 2.044 31.477 29.700 -0.445 0.000 1.232 358 E HN 0.706 nan 8.360 nan 0.000 0.442 359 Q N 1.055 120.975 119.800 0.200 0.000 2.299 359 Q HA 0.476 4.816 4.340 0.001 0.000 0.246 359 Q C -0.486 175.708 176.000 0.324 0.000 0.935 359 Q CA -0.545 55.424 55.803 0.277 0.000 0.887 359 Q CB 1.431 30.355 28.738 0.309 0.000 1.223 359 Q HN 0.478 nan 8.270 nan 0.000 0.439 360 S N 1.465 117.274 115.700 0.183 0.000 2.576 360 S HA 0.355 4.826 4.470 0.001 0.000 0.276 360 S C -0.744 173.876 174.600 0.033 0.000 1.339 360 S CA -0.461 57.707 58.200 -0.054 0.000 1.039 360 S CB 0.401 63.485 63.200 -0.194 0.000 0.902 360 S HN 0.384 nan 8.310 nan 0.000 0.516 361 L N 4.417 125.620 121.223 -0.033 0.000 2.439 361 L HA 0.695 5.035 4.340 0.001 0.000 0.270 361 L C -0.836 175.857 176.870 -0.295 0.000 0.972 361 L CA -0.644 54.076 54.840 -0.199 0.000 0.836 361 L CB 1.537 43.470 42.059 -0.209 0.000 1.255 361 L HN 0.467 nan 8.230 nan 0.000 0.404 362 V N 1.988 121.652 119.914 -0.417 0.000 2.769 362 V HA 0.768 4.889 4.120 0.001 0.000 0.312 362 V C -0.890 175.056 176.094 -0.247 0.000 1.058 362 V CA -0.714 61.275 62.300 -0.519 0.000 0.952 362 V CB 1.690 33.005 31.823 -0.846 0.000 1.019 362 V HN 0.838 nan 8.190 nan 0.000 0.445 363 F N 3.885 123.614 119.950 -0.369 0.000 2.619 363 F HA 0.856 5.384 4.527 0.001 0.000 0.308 363 F C -0.441 175.221 175.800 -0.230 0.000 1.097 363 F CA -0.210 57.654 58.000 -0.228 0.000 0.953 363 F CB 1.538 40.441 39.000 -0.161 0.000 1.287 363 F HN 1.200 nan 8.300 nan 0.000 0.446 364 C N 2.702 121.354 119.300 -1.079 0.000 3.332 364 C HA 0.799 5.260 4.460 0.001 0.000 0.329 364 C C -1.699 172.721 174.990 -0.950 0.000 1.434 364 C CA -0.657 57.735 59.018 -1.044 0.000 1.314 364 C CB 1.700 29.069 27.740 -0.619 0.000 1.664 364 C HN 0.985 nan 8.230 nan 0.000 0.457 365 Q N 0.594 120.072 119.800 -0.537 0.000 2.387 365 Q HA 0.773 5.114 4.340 0.001 0.000 0.273 365 Q C -0.440 175.582 176.000 0.036 0.000 1.089 365 Q CA -0.242 55.467 55.803 -0.157 0.000 0.824 365 Q CB 2.733 31.354 28.738 -0.195 0.000 1.367 365 Q HN 0.941 nan 8.270 nan 0.000 0.443 366 T N -2.592 112.061 114.554 0.164 0.000 2.930 366 T HA 0.719 5.070 4.350 0.001 0.000 0.290 366 T C -0.578 174.170 174.700 0.080 0.000 1.052 366 T CA -0.728 61.433 62.100 0.101 0.000 1.017 366 T CB 1.247 70.182 68.868 0.111 0.000 1.137 366 T HN 0.262 nan 8.240 nan 0.000 0.511 367 V N 2.106 122.036 119.914 0.026 0.000 2.409 367 V HA 0.416 4.537 4.120 0.001 0.000 0.291 367 V C 0.183 176.280 176.094 0.005 0.000 1.020 367 V CA -0.905 61.404 62.300 0.014 0.000 0.848 367 V CB 1.256 33.078 31.823 -0.001 0.000 0.990 367 V HN 1.020 nan 8.190 nan 0.000 0.430 368 M N 4.739 124.350 119.600 0.019 0.000 2.248 368 M HA 0.099 4.579 4.480 0.001 0.000 0.343 368 M C 0.892 177.191 176.300 -0.001 0.000 1.243 368 M CA 0.700 56.012 55.300 0.021 0.000 1.025 368 M CB 0.631 33.243 32.600 0.019 0.000 1.759 368 M HN 0.927 nan 8.290 nan 0.000 0.452 369 S N 2.570 118.266 115.700 -0.007 0.000 2.568 369 S HA 0.041 4.512 4.470 0.001 0.000 0.282 369 S C 1.005 175.601 174.600 -0.005 0.000 1.338 369 S CA -0.086 58.103 58.200 -0.019 0.000 1.045 369 S CB 0.497 63.681 63.200 -0.027 0.000 0.873 369 S HN 0.814 nan 8.310 nan 0.000 0.516 370 T N 2.135 116.683 114.554 -0.010 0.000 2.720 370 T HA -0.150 4.201 4.350 0.001 0.000 0.268 370 T C 1.641 176.345 174.700 0.006 0.000 1.037 370 T CA 1.957 64.057 62.100 -0.001 0.000 1.144 370 T CB -0.485 68.380 68.868 -0.005 0.000 0.864 370 T HN 0.781 nan 8.240 nan 0.000 0.444 371 E N 0.520 120.720 120.200 0.000 0.000 2.058 371 E HA -0.081 4.269 4.350 0.001 0.000 0.194 371 E C 2.278 178.892 176.600 0.024 0.000 0.997 371 E CA 0.913 57.316 56.400 0.006 0.000 0.801 371 E CB -0.271 29.425 29.700 -0.006 0.000 0.746 371 E HN 0.418 nan 8.360 nan 0.000 0.450 372 L N 0.737 121.976 121.223 0.026 0.000 2.046 372 L HA -0.196 4.145 4.340 0.001 0.000 0.208 372 L C 2.419 179.326 176.870 0.062 0.000 1.077 372 L CA 0.529 55.399 54.840 0.050 0.000 0.747 372 L CB -0.261 41.826 42.059 0.047 0.000 0.896 372 L HN 0.213 nan 8.230 nan 0.000 0.432 373 I N -0.086 120.508 120.570 0.039 0.000 2.226 373 I HA -0.280 3.891 4.170 0.001 0.000 0.245 373 I C 2.125 178.273 176.117 0.052 0.000 1.100 373 I CA 1.497 62.817 61.300 0.035 0.000 1.374 373 I CB -1.126 36.884 38.000 0.017 0.000 1.057 373 I HN 0.288 nan 8.210 nan 0.000 0.413 374 D N 0.538 120.967 120.400 0.049 0.000 2.178 374 D HA -0.123 4.518 4.640 0.001 0.000 0.201 374 D C 2.354 178.704 176.300 0.083 0.000 0.980 374 D CA 1.528 55.562 54.000 0.056 0.000 0.842 374 D CB -0.050 40.774 40.800 0.039 0.000 0.948 374 D HN 0.376 nan 8.370 nan 0.000 0.472 375 S N 0.021 115.781 115.700 0.099 0.000 2.423 375 S HA -0.104 4.367 4.470 0.001 0.000 0.231 375 S C 2.160 176.916 174.600 0.260 0.000 1.014 375 S CA 0.638 58.928 58.200 0.151 0.000 0.965 375 S CB -0.493 62.789 63.200 0.137 0.000 0.785 375 S HN 0.070 nan 8.310 nan 0.000 0.495 376 V N 3.100 123.143 119.914 0.214 0.000 2.469 376 V HA -0.153 3.968 4.120 0.001 0.000 0.251 376 V C 2.239 178.491 176.094 0.265 0.000 1.064 376 V CA 2.104 64.561 62.300 0.263 0.000 1.066 376 V CB -0.843 31.042 31.823 0.102 0.000 0.667 376 V HN 0.825 nan 8.190 nan 0.000 0.461 377 K N 0.230 120.735 120.400 0.175 0.000 2.498 377 K HA 0.166 4.486 4.320 0.001 0.000 0.207 377 K C 1.587 178.258 176.600 0.117 0.000 1.033 377 K CA 0.684 57.056 56.287 0.141 0.000 1.138 377 K CB 0.240 32.802 32.500 0.102 0.000 0.860 377 K HN 0.414 nan 8.250 nan 0.000 0.490 378 S N 0.905 116.688 115.700 0.137 0.000 2.419 378 S HA -0.160 4.310 4.470 0.001 0.000 0.235 378 S C 0.897 175.507 174.600 0.016 0.000 1.019 378 S CA 1.295 59.529 58.200 0.058 0.000 0.982 378 S CB -0.237 62.972 63.200 0.014 0.000 0.789 378 S HN 0.349 nan 8.310 nan 0.000 0.490 379 D N 0.767 121.184 120.400 0.029 0.000 2.339 379 D HA 0.224 4.864 4.640 0.001 0.000 0.217 379 D C 0.135 176.473 176.300 0.064 0.000 1.050 379 D CA 0.188 54.192 54.000 0.006 0.000 0.856 379 D CB -0.028 40.748 40.800 -0.040 0.000 0.922 379 D HN 0.380 nan 8.370 nan 0.000 0.518 380 M N 0.534 120.176 119.600 0.069 0.000 2.235 380 M HA 0.196 4.677 4.480 0.001 0.000 0.351 380 M C 0.385 176.711 176.300 0.045 0.000 1.178 380 M CA 0.147 55.495 55.300 0.080 0.000 1.143 380 M CB 0.846 33.488 32.600 0.070 0.000 1.530 380 M HN -0.338 nan 8.290 nan 0.000 0.461 381 T N 4.403 118.975 114.554 0.031 0.000 2.758 381 T HA 0.664 5.014 4.350 0.001 0.000 0.285 381 T C -0.013 174.662 174.700 -0.042 0.000 0.981 381 T CA -0.342 61.757 62.100 -0.003 0.000 0.965 381 T CB 0.423 69.286 68.868 -0.009 0.000 0.927 381 T HN 0.424 nan 8.240 nan 0.000 0.448 382 I N 3.839 124.382 120.570 -0.044 0.000 2.362 382 I HA 0.481 4.652 4.170 0.001 0.000 0.289 382 I C 0.267 176.344 176.117 -0.066 0.000 0.994 382 I CA -0.783 60.459 61.300 -0.097 0.000 1.158 382 I CB 1.202 39.187 38.000 -0.026 0.000 1.315 382 I HN 0.252 nan 8.210 nan 0.000 0.451 383 R N 5.788 126.214 120.500 -0.124 0.000 2.480 383 R HA 0.722 5.062 4.340 0.001 0.000 0.306 383 R C -0.019 176.283 176.300 0.003 0.000 0.958 383 R CA 0.262 56.331 56.100 -0.052 0.000 0.861 383 R CB 1.588 31.850 30.300 -0.064 0.000 1.171 383 R HN 0.880 nan 8.270 nan 0.000 0.445 384 G N 2.107 110.956 108.800 0.081 0.000 2.568 384 G HA2 -0.251 3.710 3.960 0.001 0.000 0.222 384 G HA3 -0.251 3.710 3.960 0.001 0.000 0.222 384 G C -1.049 174.004 174.900 0.256 0.000 1.321 384 G CA -0.210 44.980 45.100 0.150 0.000 0.893 384 G HN 0.814 nan 8.290 nan 0.000 0.569 385 T N -0.528 114.166 114.554 0.233 0.000 2.848 385 T HA 0.688 5.039 4.350 0.001 0.000 0.285 385 T C -3.034 171.592 174.700 -0.124 0.000 0.995 385 T CA -1.424 60.732 62.100 0.094 0.000 0.970 385 T CB 2.493 71.377 68.868 0.026 0.000 0.976 385 T HN 0.521 nan 8.240 nan 0.000 0.441 386 P HA 0.286 nan 4.420 nan 0.000 0.265 386 P C 1.271 178.319 177.300 -0.422 0.000 1.193 386 P CA 1.146 63.625 63.100 -1.034 0.000 0.765 386 P CB 0.278 31.497 31.700 -0.803 0.000 0.823 387 G N 1.749 110.361 108.800 -0.314 0.000 2.284 387 G HA2 -0.231 3.730 3.960 0.001 0.000 0.247 387 G HA3 -0.231 3.730 3.960 0.001 0.000 0.247 387 G C 0.120 174.985 174.900 -0.059 0.000 1.012 387 G CA -0.238 44.782 45.100 -0.132 0.000 0.618 387 G HN 0.560 nan 8.290 nan 0.000 0.521 388 E N 0.009 120.183 120.200 -0.043 0.000 2.349 388 E HA 0.455 4.806 4.350 0.001 0.000 0.265 388 E C 1.315 177.947 176.600 0.055 0.000 1.064 388 E CA -0.597 55.811 56.400 0.013 0.000 0.886 388 E CB 1.385 31.101 29.700 0.026 0.000 1.036 388 E HN 0.100 nan 8.360 nan 0.000 0.413 389 L N 2.485 123.734 121.223 0.043 0.000 2.043 389 L HA -0.206 4.135 4.340 0.001 0.000 0.212 389 L C 2.140 179.047 176.870 0.062 0.000 1.075 389 L CA 2.277 57.144 54.840 0.044 0.000 0.752 389 L CB -0.566 41.510 42.059 0.028 0.000 0.891 389 L HN 0.695 nan 8.230 nan 0.000 0.432 390 T N -4.051 110.545 114.554 0.069 0.000 3.144 390 T HA -0.004 4.346 4.350 0.001 0.000 0.249 390 T C 0.509 175.268 174.700 0.098 0.000 1.089 390 T CA -0.438 61.700 62.100 0.063 0.000 0.989 390 T CB -0.827 68.067 68.868 0.043 0.000 0.992 390 T HN 0.154 nan 8.240 nan 0.000 0.540 391 Y N 2.760 123.059 120.300 -0.001 0.000 2.721 391 Y HA 0.354 4.905 4.550 0.001 0.000 0.329 391 Y C 0.228 176.128 175.900 0.000 0.000 1.211 391 Y CA -0.259 57.841 58.100 -0.000 0.000 1.512 391 Y CB 0.108 38.566 38.460 -0.002 0.000 1.249 391 Y HN 0.179 nan 8.280 nan 0.000 0.549 392 S N 4.811 120.251 115.700 -0.434 0.000 2.547 392 S HA 0.723 5.194 4.470 0.001 0.000 0.281 392 S C -1.809 172.488 174.600 -0.505 0.000 1.118 392 S CA -0.728 57.252 58.200 -0.368 0.000 0.947 392 S CB 0.966 64.065 63.200 -0.168 0.000 1.053 392 S HN 0.453 nan 8.310 nan 0.000 0.482 393 V N 4.554 124.253 119.914 -0.359 0.000 2.443 393 V HA 0.676 4.797 4.120 0.001 0.000 0.293 393 V C -0.044 176.010 176.094 -0.066 0.000 1.021 393 V CA -0.465 61.700 62.300 -0.226 0.000 0.848 393 V CB 1.335 33.051 31.823 -0.178 0.000 0.998 393 V HN 1.014 nan 8.190 nan 0.000 0.424 394 T N 1.905 116.447 114.554 -0.021 0.000 2.896 394 T HA 0.871 5.222 4.350 0.001 0.000 0.297 394 T C -0.989 173.783 174.700 0.121 0.000 1.108 394 T CA -0.754 61.358 62.100 0.019 0.000 1.004 394 T CB 2.360 71.194 68.868 -0.056 0.000 1.159 394 T HN 0.745 nan 8.240 nan 0.000 0.499 395 Y N -1.643 118.646 120.300 -0.017 0.000 2.644 395 Y HA 0.780 5.331 4.550 0.001 0.000 0.338 395 Y C -0.845 175.047 175.900 -0.014 0.000 1.119 395 Y CA -1.304 56.788 58.100 -0.013 0.000 1.060 395 Y CB 0.919 39.379 38.460 -0.000 0.000 1.294 395 Y HN 0.628 nan 8.280 nan 0.000 0.472 396 T N 4.375 118.919 114.554 -0.016 0.000 2.762 396 T HA 0.385 4.736 4.350 0.001 0.000 0.303 396 T C -2.756 171.947 174.700 0.004 0.000 0.977 396 T CA -1.290 60.750 62.100 -0.101 0.000 0.961 396 T CB 0.513 69.368 68.868 -0.021 0.000 0.944 396 T HN 0.369 nan 8.240 nan 0.000 0.481 397 P HA 0.217 nan 4.420 nan 0.000 0.265 397 P C 1.122 178.467 177.300 0.075 0.000 1.193 397 P CA 0.659 63.824 63.100 0.107 0.000 0.765 397 P CB 0.353 32.064 31.700 0.018 0.000 0.823 398 G N 1.637 110.493 108.800 0.094 0.000 2.184 398 G HA2 -0.232 3.729 3.960 0.001 0.000 0.264 398 G HA3 -0.232 3.729 3.960 0.001 0.000 0.264 398 G C 0.447 175.359 174.900 0.021 0.000 0.975 398 G CA 0.041 45.168 45.100 0.045 0.000 0.642 398 G HN 0.868 nan 8.290 nan 0.000 0.536 399 A N 0.729 123.563 122.820 0.025 0.000 2.492 399 A HA 0.652 4.973 4.320 0.001 0.000 0.254 399 A C 1.823 179.395 177.584 -0.020 0.000 1.091 399 A CA 1.327 53.365 52.037 0.002 0.000 0.768 399 A CB 0.315 19.318 19.000 0.005 0.000 1.028 399 A HN 1.806 nan 8.150 nan 0.000 0.498 400 S N 2.181 117.867 115.700 -0.023 0.000 2.423 400 S HA -0.216 4.255 4.470 0.001 0.000 0.238 400 S C 1.394 175.962 174.600 -0.053 0.000 1.028 400 S CA 2.198 60.378 58.200 -0.034 0.000 1.000 400 S CB -0.897 62.286 63.200 -0.027 0.000 0.797 400 S HN 1.163 nan 8.310 nan 0.000 0.487 401 T N -1.059 113.463 114.554 -0.053 0.000 3.107 401 T HA 0.244 4.595 4.350 0.001 0.000 0.249 401 T C 0.367 175.006 174.700 -0.102 0.000 1.096 401 T CA -0.452 61.606 62.100 -0.070 0.000 1.012 401 T CB -0.538 68.298 68.868 -0.054 0.000 0.977 401 T HN 0.249 nan 8.240 nan 0.000 0.527 402 N N 2.259 120.897 118.700 -0.102 0.000 2.454 402 N HA 0.217 4.957 4.740 0.001 0.000 0.260 402 N C 0.804 176.150 175.510 -0.273 0.000 1.218 402 N CA -0.046 52.908 53.050 -0.160 0.000 0.904 402 N CB 1.157 39.571 38.487 -0.120 0.000 1.065 402 N HN 0.207 nan 8.380 nan 0.000 0.462 403 K N 0.944 121.081 120.400 -0.439 0.000 2.296 403 K HA 0.038 4.358 4.320 0.001 0.000 0.200 403 K C -0.043 176.005 176.600 -0.921 0.000 1.048 403 K CA 0.983 56.858 56.287 -0.687 0.000 0.966 403 K CB 0.105 32.071 32.500 -0.890 0.000 0.754 403 K HN 0.546 nan 8.250 nan 0.000 0.466 404 H N -0.742 118.002 119.070 -0.544 0.000 2.679 404 H HA 0.308 4.865 4.556 0.001 0.000 0.367 404 H C -2.450 172.534 175.328 -0.572 0.000 1.162 404 H CA -2.866 52.680 56.048 -0.836 0.000 1.181 404 H CB 1.209 30.048 29.762 -1.537 0.000 1.693 404 H HN -0.118 nan 8.280 nan 0.000 0.538 405 P HA 0.027 nan 4.420 nan 0.000 0.274 405 P C 0.221 177.304 177.300 -0.362 0.000 1.246 405 P CA -0.305 62.584 63.100 -0.352 0.000 0.795 405 P CB 1.430 32.895 31.700 -0.392 0.000 1.006 406 D N 0.284 120.603 120.400 -0.135 0.000 2.149 406 D HA -0.150 4.490 4.640 0.001 0.000 0.198 406 D C 1.935 178.233 176.300 -0.003 0.000 0.990 406 D CA 1.404 55.399 54.000 -0.009 0.000 0.839 406 D CB -0.527 40.378 40.800 0.174 0.000 0.948 406 D HN 0.617 nan 8.370 nan 0.000 0.460 407 W N 0.191 121.558 121.300 0.113 0.000 2.374 407 W HA -0.117 4.544 4.660 0.001 0.000 0.288 407 W C 1.946 178.542 176.519 0.129 0.000 1.218 407 W CA 0.090 57.502 57.345 0.110 0.000 1.245 407 W CB -1.341 28.178 29.460 0.098 0.000 1.126 407 W HN 0.057 nan 8.180 nan 0.000 0.545 408 W N 3.496 124.348 121.300 -0.748 0.000 2.407 408 W HA -0.138 4.523 4.660 0.001 0.000 0.305 408 W C 1.841 178.118 176.519 -0.404 0.000 1.196 408 W CA 1.536 58.466 57.345 -0.690 0.000 1.311 408 W CB -1.023 27.773 29.460 -1.107 0.000 1.135 408 W HN -0.137 nan 8.180 nan 0.000 0.514 409 N N 1.092 119.717 118.700 -0.126 0.000 2.149 409 N HA -0.218 4.523 4.740 0.001 0.000 0.188 409 N C 1.523 176.800 175.510 -0.389 0.000 1.019 409 N CA 2.055 54.829 53.050 -0.461 0.000 0.857 409 N CB -0.681 37.049 38.487 -1.261 0.000 0.997 409 N HN 0.257 nan 8.380 nan 0.000 0.426 410 E N 1.290 121.405 120.200 -0.141 0.000 2.077 410 E HA -0.082 4.269 4.350 0.001 0.000 0.193 410 E C 1.651 178.321 176.600 0.115 0.000 0.989 410 E CA 1.321 57.809 56.400 0.146 0.000 0.800 410 E CB 0.065 29.899 29.700 0.224 0.000 0.746 410 E HN 0.272 nan 8.360 nan 0.000 0.452 411 K N -0.504 119.951 120.400 0.090 0.000 2.057 411 K HA -0.108 4.213 4.320 0.001 0.000 0.207 411 K C 2.121 178.743 176.600 0.036 0.000 1.049 411 K CA 1.438 57.765 56.287 0.067 0.000 0.931 411 K CB -0.154 32.373 32.500 0.045 0.000 0.714 411 K HN 0.021 nan 8.250 nan 0.000 0.440 412 V N 2.146 122.052 119.914 -0.013 0.000 2.270 412 V HA -0.265 3.856 4.120 0.001 0.000 0.245 412 V C 2.420 178.563 176.094 0.082 0.000 1.043 412 V CA 1.693 63.997 62.300 0.007 0.000 1.014 412 V CB -0.488 31.333 31.823 -0.002 0.000 0.645 412 V HN 0.362 nan 8.190 nan 0.000 0.447 413 K N 0.417 120.867 120.400 0.085 0.000 2.044 413 K HA -0.285 4.036 4.320 0.001 0.000 0.210 413 K C 1.930 178.595 176.600 0.107 0.000 1.049 413 K CA 2.327 58.689 56.287 0.125 0.000 0.927 413 K CB -0.358 32.281 32.500 0.230 0.000 0.713 413 K HN 0.429 nan 8.250 nan 0.000 0.443 414 N N 0.218 118.986 118.700 0.114 0.000 2.188 414 N HA -0.152 4.589 4.740 0.001 0.000 0.184 414 N C 1.781 177.345 175.510 0.091 0.000 1.018 414 N CA 1.321 54.428 53.050 0.095 0.000 0.858 414 N CB -0.571 37.978 38.487 0.104 0.000 0.989 414 N HN 0.470 nan 8.380 nan 0.000 0.426 415 H N 0.603 119.699 119.070 0.043 0.000 2.326 415 H HA 0.114 4.670 4.556 0.001 0.000 0.301 415 H C 1.990 177.353 175.328 0.058 0.000 1.081 415 H CA 1.687 57.764 56.048 0.048 0.000 1.334 415 H CB -0.077 29.633 29.762 -0.087 0.000 1.385 415 H HN 0.078 nan 8.280 nan 0.000 0.504 416 M N -0.732 118.861 119.600 -0.012 0.000 2.296 416 M HA -0.131 4.350 4.480 0.001 0.000 0.265 416 M C 1.625 177.966 176.300 0.067 0.000 1.064 416 M CA 1.059 56.364 55.300 0.008 0.000 1.109 416 M CB 0.063 32.743 32.600 0.132 0.000 1.396 416 M HN 0.358 nan 8.290 nan 0.000 0.430 417 M N -0.579 119.047 119.600 0.042 0.000 2.334 417 M HA -0.039 4.442 4.480 0.001 0.000 0.266 417 M C 1.831 178.107 176.300 -0.040 0.000 1.082 417 M CA 1.258 56.593 55.300 0.060 0.000 1.141 417 M CB -0.663 31.958 32.600 0.035 0.000 1.380 417 M HN 0.173 nan 8.290 nan 0.000 0.440 418 Q N -0.648 119.057 119.800 -0.157 0.000 2.398 418 Q HA 0.065 4.406 4.340 0.001 0.000 0.204 418 Q C 0.133 175.745 176.000 -0.647 0.000 0.932 418 Q CA 0.840 56.424 55.803 -0.365 0.000 0.916 418 Q CB 0.284 28.767 28.738 -0.424 0.000 1.024 418 Q HN 0.523 nan 8.270 nan 0.000 0.504 419 H N 0.225 119.199 119.070 -0.160 0.000 2.439 419 H HA 0.261 4.818 4.556 0.001 0.000 0.228 419 H C 0.277 175.510 175.328 -0.159 0.000 1.423 419 H CA -0.091 55.870 56.048 -0.145 0.000 1.386 419 H CB 0.479 30.094 29.762 -0.246 0.000 1.641 419 H HN 0.212 nan 8.280 nan 0.000 0.508 420 Q N 0.594 120.365 119.800 -0.048 0.000 2.436 420 Q HA -0.100 4.240 4.340 0.001 0.000 0.209 420 Q C 1.828 177.771 176.000 -0.095 0.000 0.965 420 Q CA 0.778 56.517 55.803 -0.107 0.000 0.910 420 Q CB 0.443 29.086 28.738 -0.158 0.000 0.980 420 Q HN 0.550 nan 8.270 nan 0.000 0.491 421 E N 1.161 121.355 120.200 -0.010 0.000 2.358 421 E HA -0.108 4.242 4.350 0.001 0.000 0.195 421 E C -0.275 176.357 176.600 0.053 0.000 1.010 421 E CA 0.492 56.902 56.400 0.016 0.000 0.856 421 E CB 0.035 29.767 29.700 0.054 0.000 0.795 421 E HN 0.163 nan 8.360 nan 0.000 0.504 422 D N 2.127 122.576 120.400 0.082 0.000 2.225 422 D HA 0.109 4.750 4.640 0.001 0.000 0.248 422 D C -1.494 174.855 176.300 0.082 0.000 1.096 422 D CA -2.041 52.038 54.000 0.131 0.000 0.863 422 D CB 1.599 42.523 40.800 0.206 0.000 1.156 422 D HN -0.155 nan 8.370 nan 0.000 0.450 423 P HA 0.084 nan 4.420 nan 0.000 0.245 423 P C -0.145 177.196 177.300 0.070 0.000 1.206 423 P CA 0.207 63.343 63.100 0.060 0.000 0.781 423 P CB 0.405 32.133 31.700 0.047 0.000 0.994 424 L N 1.789 123.067 121.223 0.091 0.000 2.344 424 L HA 0.363 4.704 4.340 0.001 0.000 0.272 424 L C -1.334 175.581 176.870 0.074 0.000 1.035 424 L CA -2.190 52.680 54.840 0.051 0.000 0.807 424 L CB 2.155 44.214 42.059 -0.001 0.000 1.237 424 L HN -0.275 nan 8.230 nan 0.000 0.442 425 P HA 0.104 nan 4.420 nan 0.000 0.255 425 P C 0.173 177.380 177.300 -0.155 0.000 1.248 425 P CA 0.456 63.579 63.100 0.038 0.000 0.807 425 P CB 0.402 32.125 31.700 0.038 0.000 1.150 426 I N 2.543 122.925 120.570 -0.313 0.000 2.371 426 I HA 0.215 4.386 4.170 0.001 0.000 0.290 426 I C -2.123 173.511 176.117 -0.806 0.000 1.028 426 I CA -2.738 58.302 61.300 -0.433 0.000 1.345 426 I CB 0.741 38.569 38.000 -0.287 0.000 1.407 426 I HN -0.237 nan 8.210 nan 0.000 0.501 427 P HA 0.001 nan 4.420 nan 0.000 0.266 427 P C 0.385 177.424 177.300 -0.435 0.000 1.195 427 P CA 0.004 62.698 63.100 -0.678 0.000 0.768 427 P CB 0.335 31.900 31.700 -0.224 0.000 0.838 428 F N 1.084 120.897 119.950 -0.228 0.000 2.120 428 F HA -0.171 4.357 4.527 0.001 0.000 0.300 428 F C 1.744 177.500 175.800 -0.073 0.000 1.095 428 F CA 1.664 59.586 58.000 -0.130 0.000 1.249 428 F CB -1.054 37.888 39.000 -0.097 0.000 0.995 428 F HN 0.416 nan 8.300 nan 0.000 0.480 429 E N -0.296 119.991 120.200 0.146 0.000 2.419 429 E HA 0.003 4.354 4.350 0.001 0.000 0.190 429 E C -0.194 176.432 176.600 0.043 0.000 1.040 429 E CA -0.190 56.266 56.400 0.094 0.000 0.900 429 E CB -0.330 29.429 29.700 0.099 0.000 1.054 429 E HN 0.231 nan 8.360 nan 0.000 0.462 430 D N 2.794 123.194 120.400 0.001 0.000 2.472 430 D HA 0.002 4.643 4.640 0.001 0.000 0.248 430 D C -2.259 174.063 176.300 0.036 0.000 1.174 430 D CA -1.303 52.687 54.000 -0.017 0.000 0.883 430 D CB 0.728 41.473 40.800 -0.091 0.000 1.149 430 D HN -0.126 nan 8.370 nan 0.000 0.488 431 P HA 0.033 nan 4.420 nan 0.000 0.271 431 P C -0.484 176.930 177.300 0.191 0.000 1.233 431 P CA -0.248 62.962 63.100 0.184 0.000 0.789 431 P CB 0.405 32.253 31.700 0.246 0.000 0.951 432 E N 2.056 122.370 120.200 0.191 0.000 2.422 432 E HA 0.095 4.446 4.350 0.001 0.000 0.260 432 E C -2.139 174.456 176.600 -0.007 0.000 1.108 432 E CA -1.591 54.834 56.400 0.041 0.000 0.943 432 E CB -1.028 28.654 29.700 -0.030 0.000 0.961 432 E HN 0.336 nan 8.360 nan 0.000 0.443 433 P HA 0.045 nan 4.420 nan 0.000 0.272 433 P C -0.426 176.860 177.300 -0.022 0.000 1.223 433 P CA 0.001 63.149 63.100 0.079 0.000 0.784 433 P CB 0.567 32.262 31.700 -0.008 0.000 0.923 434 Q N 1.014 120.914 119.800 0.166 0.000 3.605 434 Q HA 0.327 4.668 4.340 0.001 0.000 0.222 434 Q C -1.094 175.005 176.000 0.165 0.000 0.915 434 Q CA -0.339 55.450 55.803 -0.024 0.000 0.731 434 Q CB 1.330 29.830 28.738 -0.396 0.000 1.423 434 Q HN 0.189 nan 8.270 nan 0.000 0.446 435 V N 0.709 120.656 119.914 0.055 0.000 2.628 435 V HA 0.734 4.855 4.120 0.001 0.000 0.306 435 V C 0.067 176.165 176.094 0.006 0.000 1.045 435 V CA -0.473 61.857 62.300 0.049 0.000 0.905 435 V CB 2.125 33.910 31.823 -0.063 0.000 0.997 435 V HN 0.488 nan 8.190 nan 0.000 0.436 436 T N 1.707 116.295 114.554 0.056 0.000 2.916 436 T HA 0.491 4.842 4.350 0.001 0.000 0.305 436 T C -0.847 173.789 174.700 -0.108 0.000 1.119 436 T CA -0.321 61.756 62.100 -0.038 0.000 1.008 436 T CB 1.836 70.672 68.868 -0.053 0.000 1.129 436 T HN 0.826 nan 8.240 nan 0.000 0.480 437 T N 4.840 119.181 114.554 -0.355 0.000 2.756 437 T HA 0.598 4.949 4.350 0.001 0.000 0.290 437 T C -0.006 174.540 174.700 -0.257 0.000 0.985 437 T CA -0.631 61.092 62.100 -0.629 0.000 0.955 437 T CB -0.172 67.861 68.868 -1.393 0.000 0.930 437 T HN 0.524 nan 8.240 nan 0.000 0.451 438 L N 4.451 125.609 121.223 -0.110 0.000 2.452 438 L HA 0.390 4.731 4.340 0.001 0.000 0.267 438 L C 0.777 177.678 176.870 0.053 0.000 1.188 438 L CA -0.948 53.919 54.840 0.044 0.000 0.821 438 L CB 0.201 42.281 42.059 0.035 0.000 1.102 438 L HN 0.628 nan 8.230 nan 0.000 0.470 439 F N 2.606 122.503 119.950 -0.088 0.000 2.604 439 F HA -0.091 4.437 4.527 0.001 0.000 0.390 439 F C 0.285 175.849 175.800 -0.393 0.000 1.053 439 F CA 0.687 58.546 58.000 -0.236 0.000 1.256 439 F CB 0.141 39.044 39.000 -0.161 0.000 0.996 439 F HN 0.394 nan 8.300 nan 0.000 0.564 440 Q N 6.498 125.852 119.800 -0.744 0.000 2.501 440 Q HA 0.266 4.607 4.340 0.001 0.000 0.288 440 Q C -2.010 173.559 176.000 -0.719 0.000 1.051 440 Q CA -1.753 53.673 55.803 -0.629 0.000 0.788 440 Q CB 1.416 29.627 28.738 -0.879 0.000 1.469 440 Q HN 0.228 nan 8.270 nan 0.000 0.416 441 P HA -0.163 nan 4.420 nan 0.000 0.218 441 P C 1.099 178.166 177.300 -0.388 0.000 1.148 441 P CA 1.783 64.706 63.100 -0.294 0.000 0.822 441 P CB 0.256 31.875 31.700 -0.135 0.000 0.784 442 S N -1.523 113.936 115.700 -0.402 0.000 2.527 442 S HA -0.083 4.388 4.470 0.001 0.000 0.222 442 S C 0.516 174.893 174.600 -0.372 0.000 0.985 442 S CA 0.097 58.137 58.200 -0.267 0.000 0.921 442 S CB -1.230 61.925 63.200 -0.075 0.000 0.772 442 S HN 0.420 nan 8.310 nan 0.000 0.529 443 H N -1.138 117.481 119.070 -0.752 0.000 2.562 443 H HA 0.449 5.006 4.556 0.002 0.000 0.230 443 H C -3.201 170.976 175.328 -1.918 0.000 1.415 443 H CA -1.711 53.481 56.048 -1.426 0.000 1.454 443 H CB 0.327 29.552 29.762 -0.894 0.000 1.716 443 H HN 0.078 nan 8.280 nan 0.000 0.538 444 P HA 0.073 nan 4.420 nan 0.000 0.230 444 P C -1.255 175.400 177.300 -1.076 0.000 1.791 444 P CA 0.216 62.182 63.100 -1.891 0.000 1.020 444 P CB -0.963 30.157 31.700 -0.967 0.000 1.977 445 W N 0.128 121.080 121.300 -0.579 0.000 3.213 445 W HA 0.499 5.160 4.660 0.002 0.000 0.318 445 W C -0.910 175.701 176.519 0.153 0.000 1.248 445 W CA -1.254 56.096 57.345 0.008 0.000 1.187 445 W CB 0.059 29.557 29.460 0.063 0.000 1.403 445 W HN 0.027 nan 8.180 nan 0.000 0.556 446 H N 1.053 120.398 119.070 0.459 0.000 2.505 446 H HA 0.696 5.253 4.556 0.001 0.000 0.351 446 H C -0.174 175.314 175.328 0.266 0.000 1.151 446 H CA 0.475 56.685 56.048 0.271 0.000 1.339 446 H CB 1.489 31.338 29.762 0.144 0.000 1.483 446 H HN 0.575 nan 8.280 nan 0.000 0.558 447 T N 2.114 116.322 114.554 -0.577 0.000 2.893 447 T HA 0.502 4.853 4.350 0.001 0.000 0.293 447 T C -0.763 173.611 174.700 -0.544 0.000 1.027 447 T CA -1.105 60.666 62.100 -0.548 0.000 0.988 447 T CB 1.627 70.055 68.868 -0.733 0.000 1.043 447 T HN 0.676 nan 8.240 nan 0.000 0.461 448 Q N 1.809 121.499 119.800 -0.183 0.000 2.304 448 Q HA 0.589 4.930 4.340 0.001 0.000 0.270 448 Q C -1.202 174.694 176.000 -0.174 0.000 1.035 448 Q CA -0.666 54.957 55.803 -0.301 0.000 0.781 448 Q CB 2.629 31.055 28.738 -0.520 0.000 1.261 448 Q HN 0.722 nan 8.270 nan 0.000 0.444 449 I N 3.623 124.055 120.570 -0.230 0.000 2.521 449 I HA 0.366 4.537 4.170 0.001 0.000 0.277 449 I C -0.473 175.529 176.117 -0.192 0.000 1.054 449 I CA -0.313 60.739 61.300 -0.415 0.000 1.117 449 I CB 0.498 38.099 38.000 -0.666 0.000 1.217 449 I HN 0.766 nan 8.210 nan 0.000 0.469 450 H N 3.750 122.624 119.070 -0.327 0.000 3.001 450 H HA 0.671 5.228 4.556 0.001 0.000 0.266 450 H C -1.186 174.053 175.328 -0.149 0.000 1.532 450 H CA -1.349 54.579 56.048 -0.200 0.000 1.187 450 H CB 1.470 31.142 29.762 -0.150 0.000 1.881 450 H HN 0.116 nan 8.280 nan 0.000 0.643 451 R N 1.411 121.720 120.500 -0.318 0.000 2.514 451 R HA 0.253 4.593 4.340 0.001 0.000 0.296 451 R C -1.557 174.529 176.300 -0.356 0.000 1.012 451 R CA -0.607 55.297 56.100 -0.327 0.000 0.897 451 R CB 1.726 31.959 30.300 -0.112 0.000 1.184 451 R HN 0.893 nan 8.270 nan 0.000 0.440 452 D N 0.836 121.023 120.400 -0.355 0.000 2.525 452 D HA 0.494 5.134 4.640 0.001 0.000 0.249 452 D C -0.279 176.017 176.300 -0.007 0.000 1.072 452 D CA -0.854 53.044 54.000 -0.169 0.000 1.067 452 D CB 0.424 41.138 40.800 -0.143 0.000 1.282 452 D HN 0.380 nan 8.370 nan 0.000 0.587 453 A N -0.493 122.344 122.820 0.029 0.000 2.565 453 A HA 0.383 4.704 4.320 0.001 0.000 0.237 453 A C -0.811 176.856 177.584 0.138 0.000 1.053 453 A CA 0.153 52.258 52.037 0.113 0.000 0.755 453 A CB -0.726 18.370 19.000 0.160 0.000 0.980 453 A HN 0.472 nan 8.150 nan 0.000 0.506 454 F N 1.829 121.738 119.950 -0.067 0.000 2.596 454 F HA 0.480 5.007 4.527 0.001 0.000 0.311 454 F C 0.242 175.887 175.800 -0.259 0.000 1.116 454 F CA -0.292 57.559 58.000 -0.249 0.000 0.957 454 F CB 2.037 40.755 39.000 -0.469 0.000 1.250 454 F HN 0.582 nan 8.300 nan 0.000 0.444 455 S N 4.428 119.556 115.700 -0.954 0.000 2.409 455 S HA 0.431 4.902 4.470 0.001 0.000 0.308 455 S C -1.111 173.139 174.600 -0.582 0.000 1.080 455 S CA -0.396 57.464 58.200 -0.567 0.000 1.081 455 S CB -0.388 62.560 63.200 -0.421 0.000 1.009 455 S HN 0.474 nan 8.310 nan 0.000 0.502 456 Y N 2.378 122.680 120.300 0.004 0.000 2.319 456 Y HA 0.502 5.053 4.550 0.001 0.000 0.328 456 Y C 1.512 177.455 175.900 0.071 0.000 1.133 456 Y CA 0.139 58.342 58.100 0.173 0.000 1.265 456 Y CB 0.580 39.181 38.460 0.235 0.000 1.218 456 Y HN 0.889 nan 8.280 nan 0.000 0.508 457 G N 1.001 109.941 108.800 0.234 0.000 2.664 457 G HA2 0.252 4.213 3.960 0.001 0.000 0.242 457 G HA3 0.252 4.213 3.960 0.001 0.000 0.242 457 G C 0.901 175.886 174.900 0.142 0.000 1.225 457 G CA -0.030 45.153 45.100 0.138 0.000 0.849 457 G HN 0.906 nan 8.290 nan 0.000 0.581 458 A N 0.178 123.051 122.820 0.089 0.000 1.940 458 A HA -0.033 4.288 4.320 0.001 0.000 0.219 458 A C 2.541 180.167 177.584 0.071 0.000 1.176 458 A CA 1.969 54.049 52.037 0.072 0.000 0.631 458 A CB -0.534 18.494 19.000 0.048 0.000 0.814 458 A HN 0.556 nan 8.150 nan 0.000 0.446 459 V N -0.131 119.828 119.914 0.075 0.000 2.358 459 V HA -0.286 3.835 4.120 0.001 0.000 0.246 459 V C 2.598 178.739 176.094 0.077 0.000 1.047 459 V CA 2.140 64.479 62.300 0.065 0.000 1.035 459 V CB -0.854 31.006 31.823 0.061 0.000 0.658 459 V HN 0.642 nan 8.190 nan 0.000 0.452 460 Q N -0.423 119.452 119.800 0.126 0.000 2.170 460 Q HA -0.251 4.090 4.340 0.001 0.000 0.203 460 Q C 2.190 178.220 176.000 0.049 0.000 0.976 460 Q CA 1.387 57.280 55.803 0.149 0.000 0.858 460 Q CB -0.210 28.737 28.738 0.349 0.000 0.907 460 Q HN 0.683 nan 8.270 nan 0.000 0.433 461 Q N -0.200 119.636 119.800 0.060 0.000 2.508 461 Q HA -0.085 4.256 4.340 0.001 0.000 0.214 461 Q C 1.845 177.832 176.000 -0.022 0.000 0.979 461 Q CA 0.686 56.482 55.803 -0.011 0.000 0.911 461 Q CB -0.009 28.752 28.738 0.038 0.000 0.969 461 Q HN 0.148 nan 8.270 nan 0.000 0.504 462 S N -0.177 115.522 115.700 -0.001 0.000 2.489 462 S HA 0.016 4.487 4.470 0.001 0.000 0.228 462 S C 0.749 175.339 174.600 -0.016 0.000 0.995 462 S CA 0.008 58.208 58.200 -0.001 0.000 0.934 462 S CB 0.308 63.516 63.200 0.014 0.000 0.771 462 S HN 0.133 nan 8.310 nan 0.000 0.522 463 I N 2.779 123.327 120.570 -0.037 0.000 2.353 463 I HA 0.270 4.441 4.170 0.001 0.000 0.293 463 I C 0.310 176.381 176.117 -0.076 0.000 0.992 463 I CA -0.775 60.498 61.300 -0.045 0.000 1.268 463 I CB 1.004 38.980 38.000 -0.040 0.000 1.387 463 I HN 0.188 nan 8.210 nan 0.000 0.478 464 D N 4.217 124.591 120.400 -0.044 0.000 2.487 464 D HA -0.062 4.579 4.640 0.001 0.000 0.243 464 D C 1.245 177.504 176.300 -0.069 0.000 1.154 464 D CA 0.174 54.152 54.000 -0.036 0.000 0.876 464 D CB 1.157 41.960 40.800 0.006 0.000 1.161 464 D HN 0.659 nan 8.370 nan 0.000 0.478 465 S N 4.306 119.952 115.700 -0.089 0.000 2.440 465 S HA -0.206 4.264 4.470 0.001 0.000 0.238 465 S C 1.673 176.245 174.600 -0.046 0.000 1.010 465 S CA 0.678 58.813 58.200 -0.107 0.000 0.972 465 S CB -0.052 63.094 63.200 -0.091 0.000 0.774 465 S HN 0.554 nan 8.310 nan 0.000 0.501 466 R N 0.723 121.211 120.500 -0.021 0.000 2.193 466 R HA 0.175 4.516 4.340 0.001 0.000 0.229 466 R C 1.874 178.157 176.300 -0.028 0.000 1.110 466 R CA 1.149 57.236 56.100 -0.023 0.000 0.988 466 R CB -0.518 29.762 30.300 -0.033 0.000 0.871 466 R HN 0.457 nan 8.270 nan 0.000 0.458 467 L N 0.323 121.531 121.223 -0.025 0.000 2.418 467 L HA 0.097 4.438 4.340 0.001 0.000 0.218 467 L C 0.711 177.580 176.870 -0.001 0.000 1.125 467 L CA 0.253 55.084 54.840 -0.014 0.000 0.835 467 L CB 0.047 42.098 42.059 -0.013 0.000 0.953 467 L HN 0.064 nan 8.230 nan 0.000 0.454 468 I N 0.122 120.685 120.570 -0.011 0.000 2.396 468 I HA 0.230 4.401 4.170 0.001 0.000 0.292 468 I C -0.563 175.565 176.117 0.018 0.000 0.999 468 I CA -0.370 60.937 61.300 0.012 0.000 1.310 468 I CB 1.754 39.750 38.000 -0.006 0.000 1.404 468 I HN -0.295 nan 8.210 nan 0.000 0.496 469 V N 4.830 124.774 119.914 0.048 0.000 2.656 469 V HA 0.318 4.439 4.120 0.001 0.000 0.307 469 V C -0.782 175.289 176.094 -0.039 0.000 1.051 469 V CA -0.892 61.395 62.300 -0.022 0.000 0.893 469 V CB 2.067 33.883 31.823 -0.011 0.000 0.999 469 V HN 0.582 nan 8.190 nan 0.000 0.426 470 D N 2.477 122.775 120.400 -0.169 0.000 2.264 470 D HA 0.439 5.080 4.640 0.001 0.000 0.249 470 D C -0.945 175.227 176.300 -0.213 0.000 1.070 470 D CA 0.105 54.027 54.000 -0.130 0.000 0.912 470 D CB 1.247 41.975 40.800 -0.120 0.000 1.193 470 D HN 0.443 nan 8.370 nan 0.000 0.427 471 W N 1.149 122.398 121.300 -0.086 0.000 2.600 471 W HA 0.464 5.125 4.660 0.001 0.000 0.325 471 W C 0.219 176.772 176.519 0.057 0.000 1.034 471 W CA -0.837 56.518 57.345 0.016 0.000 1.226 471 W CB 1.340 30.699 29.460 -0.169 0.000 1.379 471 W HN -0.077 nan 8.180 nan 0.000 0.466 472 R N 2.877 123.611 120.500 0.391 0.000 2.514 472 R HA 0.503 4.844 4.340 0.001 0.000 0.296 472 R C -1.630 174.872 176.300 0.336 0.000 1.012 472 R CA -0.857 55.364 56.100 0.201 0.000 0.897 472 R CB 1.700 32.087 30.300 0.145 0.000 1.184 472 R HN 0.182 nan 8.270 nan 0.000 0.440 473 F N 3.051 122.857 119.950 -0.239 0.000 2.482 473 F HA 0.517 5.044 4.527 0.001 0.000 0.331 473 F C -0.368 175.310 175.800 -0.203 0.000 1.115 473 F CA -1.509 56.443 58.000 -0.081 0.000 0.955 473 F CB 1.124 40.027 39.000 -0.162 0.000 1.136 473 F HN 0.288 nan 8.300 nan 0.000 0.452 474 F N 1.179 121.305 119.950 0.294 0.000 2.467 474 F HA 0.677 5.205 4.527 0.001 0.000 0.336 474 F C 0.638 176.634 175.800 0.326 0.000 1.123 474 F CA -1.296 56.873 58.000 0.283 0.000 0.964 474 F CB 1.429 40.645 39.000 0.359 0.000 1.136 474 F HN 0.512 nan 8.300 nan 0.000 0.447 475 G N 2.060 111.098 108.800 0.396 0.000 2.437 475 G HA2 0.639 4.600 3.960 0.001 0.000 0.319 475 G HA3 0.639 4.600 3.960 0.001 0.000 0.319 475 G C -0.827 174.256 174.900 0.305 0.000 1.158 475 G CA -1.068 44.244 45.100 0.353 0.000 0.899 475 G HN 0.715 nan 8.290 nan 0.000 0.502 476 R N -0.536 120.141 120.500 0.295 0.000 2.486 476 R HA 0.694 5.035 4.340 0.001 0.000 0.286 476 R C -0.958 175.439 176.300 0.162 0.000 0.999 476 R CA -0.602 55.596 56.100 0.164 0.000 0.993 476 R CB 1.312 31.730 30.300 0.197 0.000 1.084 476 R HN 0.276 nan 8.270 nan 0.000 0.487 477 T N 1.623 116.240 114.554 0.105 0.000 2.812 477 T HA 0.115 4.466 4.350 0.001 0.000 0.282 477 T C -0.839 173.943 174.700 0.137 0.000 0.990 477 T CA -0.690 61.523 62.100 0.189 0.000 0.960 477 T CB 1.409 70.461 68.868 0.306 0.000 0.948 477 T HN 0.698 nan 8.240 nan 0.000 0.438 478 E N 4.885 125.169 120.200 0.140 0.000 2.376 478 E HA 0.128 4.479 4.350 0.001 0.000 0.266 478 E C -2.210 174.471 176.600 0.136 0.000 1.009 478 E CA -1.505 54.968 56.400 0.122 0.000 0.902 478 E CB 0.476 30.239 29.700 0.104 0.000 0.972 478 E HN 0.156 nan 8.360 nan 0.000 0.439 479 P HA 0.114 nan 4.420 nan 0.000 0.276 479 P C -1.198 176.259 177.300 0.261 0.000 1.253 479 P CA 0.066 63.310 63.100 0.241 0.000 0.766 479 P CB 0.646 32.509 31.700 0.272 0.000 0.845 480 K N 2.491 122.984 120.400 0.155 0.000 2.371 480 K HA 0.178 4.499 4.320 0.001 0.000 0.251 480 K C 0.912 177.339 176.600 -0.288 0.000 0.934 480 K CA -0.694 55.602 56.287 0.014 0.000 0.798 480 K CB 2.424 34.895 32.500 -0.049 0.000 1.204 480 K HN 0.426 nan 8.250 nan 0.000 0.427 481 E N 1.914 121.808 120.200 -0.509 0.000 2.153 481 E HA -0.185 4.166 4.350 0.001 0.000 0.194 481 E C 0.978 177.314 176.600 -0.440 0.000 0.988 481 E CA 1.276 57.101 56.400 -0.958 0.000 0.811 481 E CB 0.491 29.850 29.700 -0.568 0.000 0.746 481 E HN 0.533 nan 8.360 nan 0.000 0.466 482 E N 0.326 120.380 120.200 -0.243 0.000 2.418 482 E HA -0.097 4.254 4.350 0.001 0.000 0.197 482 E C -0.027 176.514 176.600 -0.099 0.000 1.026 482 E CA 0.263 56.578 56.400 -0.143 0.000 0.862 482 E CB -0.221 29.413 29.700 -0.111 0.000 0.799 482 E HN 0.050 nan 8.360 nan 0.000 0.518 483 N N 1.920 120.552 118.700 -0.113 0.000 2.408 483 N HA 0.202 4.943 4.740 0.001 0.000 0.257 483 N C -0.842 174.733 175.510 0.110 0.000 1.064 483 N CA 0.088 53.128 53.050 -0.017 0.000 0.952 483 N CB 1.158 39.603 38.487 -0.071 0.000 1.093 483 N HN 0.099 nan 8.380 nan 0.000 0.490 484 K N 1.095 121.615 120.400 0.200 0.000 2.469 484 K HA 0.464 4.785 4.320 0.001 0.000 0.254 484 K C -1.269 175.480 176.600 0.248 0.000 0.939 484 K CA -0.893 55.526 56.287 0.219 0.000 0.812 484 K CB 2.345 34.986 32.500 0.235 0.000 1.301 484 K HN 0.179 nan 8.250 nan 0.000 0.433 485 L N 3.924 125.238 121.223 0.152 0.000 2.298 485 L HA 0.593 4.934 4.340 0.001 0.000 0.284 485 L C -1.355 175.420 176.870 -0.159 0.000 1.013 485 L CA -0.075 54.677 54.840 -0.146 0.000 0.824 485 L CB 0.517 42.511 42.059 -0.108 0.000 1.221 485 L HN 0.700 nan 8.230 nan 0.000 0.418 486 W N 3.589 124.590 121.300 -0.499 0.000 3.017 486 W HA 0.669 5.330 4.660 0.001 0.000 0.341 486 W C -2.176 173.891 176.519 -0.753 0.000 1.180 486 W CA -1.192 55.924 57.345 -0.380 0.000 1.097 486 W CB 0.932 30.331 29.460 -0.102 0.000 1.468 486 W HN 0.354 nan 8.180 nan 0.000 0.584 487 F N 1.357 121.494 119.950 0.311 0.000 2.556 487 F HA 0.363 4.891 4.527 0.001 0.000 0.314 487 F C 0.718 176.684 175.800 0.278 0.000 1.106 487 F CA -0.966 57.093 58.000 0.099 0.000 0.911 487 F CB 2.193 41.236 39.000 0.072 0.000 1.190 487 F HN 0.269 nan 8.300 nan 0.000 0.448 488 S N 0.826 116.681 115.700 0.258 0.000 2.564 488 S HA 0.094 4.565 4.470 0.001 0.000 0.278 488 S C 0.618 175.367 174.600 0.249 0.000 1.333 488 S CA -0.539 57.844 58.200 0.305 0.000 1.048 488 S CB 0.413 63.699 63.200 0.142 0.000 0.900 488 S HN 0.687 nan 8.310 nan 0.000 0.505 489 D N 2.754 123.286 120.400 0.220 0.000 2.339 489 D HA 0.143 4.784 4.640 0.001 0.000 0.217 489 D C 0.930 177.290 176.300 0.100 0.000 1.050 489 D CA 0.358 54.440 54.000 0.137 0.000 0.856 489 D CB 0.200 41.063 40.800 0.105 0.000 0.922 489 D HN 0.455 nan 8.370 nan 0.000 0.518 490 K N -0.321 120.143 120.400 0.106 0.000 2.412 490 K HA 0.146 4.467 4.320 0.001 0.000 0.201 490 K C 0.111 176.753 176.600 0.069 0.000 1.275 490 K CA -0.161 56.172 56.287 0.077 0.000 0.910 490 K CB 0.929 33.475 32.500 0.076 0.000 1.346 490 K HN -0.024 nan 8.250 nan 0.000 0.490 491 I N 3.380 123.995 120.570 0.076 0.000 2.519 491 I HA 0.096 4.267 4.170 0.001 0.000 0.287 491 I C 0.593 176.747 176.117 0.060 0.000 1.047 491 I CA 0.144 61.478 61.300 0.057 0.000 1.381 491 I CB 0.983 39.007 38.000 0.041 0.000 1.417 491 I HN 0.234 nan 8.210 nan 0.000 0.540 492 T N 1.272 115.856 114.554 0.051 0.000 2.930 492 T HA 0.595 4.946 4.350 0.001 0.000 0.290 492 T C -0.411 174.324 174.700 0.058 0.000 1.052 492 T CA -0.930 61.207 62.100 0.061 0.000 1.017 492 T CB 2.384 71.283 68.868 0.052 0.000 1.137 492 T HN 0.548 nan 8.240 nan 0.000 0.511 493 D N 0.375 120.826 120.400 0.086 0.000 2.506 493 D HA 0.481 5.122 4.640 0.001 0.000 0.272 493 D C 1.607 177.948 176.300 0.069 0.000 1.214 493 D CA -0.490 53.568 54.000 0.096 0.000 1.067 493 D CB 0.151 41.046 40.800 0.159 0.000 1.117 493 D HN 0.652 nan 8.370 nan 0.000 0.578 494 A N -1.188 121.662 122.820 0.050 0.000 2.070 494 A HA -0.144 4.177 4.320 0.001 0.000 0.220 494 A C 1.157 178.561 177.584 -0.301 0.000 1.159 494 A CA 0.979 52.946 52.037 -0.117 0.000 0.656 494 A CB -0.999 17.900 19.000 -0.168 0.000 0.800 494 A HN 0.558 nan 8.150 nan 0.000 0.453 495 Y N -1.332 118.988 120.300 0.033 0.000 2.625 495 Y HA 0.248 4.799 4.550 0.001 0.000 0.285 495 Y C 0.833 176.754 175.900 0.035 0.000 1.168 495 Y CA -0.199 57.924 58.100 0.039 0.000 1.250 495 Y CB -0.401 38.070 38.460 0.018 0.000 1.130 495 Y HN 0.438 nan 8.280 nan 0.000 0.526 496 N N -0.316 118.447 118.700 0.104 0.000 2.714 496 N HA -0.179 4.562 4.740 0.001 0.000 0.250 496 N C -0.564 174.990 175.510 0.074 0.000 1.117 496 N CA 0.609 53.700 53.050 0.067 0.000 0.719 496 N CB -0.467 38.041 38.487 0.035 0.000 1.081 496 N HN 0.143 nan 8.380 nan 0.000 0.557 497 M N -0.258 119.406 119.600 0.107 0.000 2.528 497 M HA 0.414 4.895 4.480 0.001 0.000 0.318 497 M C -2.061 174.297 176.300 0.097 0.000 1.195 497 M CA -1.989 53.359 55.300 0.080 0.000 1.000 497 M CB 0.422 33.069 32.600 0.077 0.000 1.615 497 M HN -0.245 nan 8.290 nan 0.000 0.469 498 P HA 0.004 nan 4.420 nan 0.000 0.264 498 P C -0.661 176.791 177.300 0.253 0.000 1.193 498 P CA 0.064 63.255 63.100 0.152 0.000 0.763 498 P CB 0.250 32.040 31.700 0.149 0.000 0.810 499 Q N 6.986 126.884 119.800 0.163 0.000 2.297 499 Q HA 0.185 4.526 4.340 0.001 0.000 0.267 499 Q C -2.294 173.679 176.000 -0.046 0.000 1.006 499 Q CA -1.972 53.875 55.803 0.074 0.000 0.896 499 Q CB -0.147 28.585 28.738 -0.010 0.000 1.186 499 Q HN 0.283 nan 8.270 nan 0.000 0.392 500 P HA 0.142 nan 4.420 nan 0.000 0.271 500 P C -1.072 175.735 177.300 -0.822 0.000 1.216 500 P CA -0.182 62.504 63.100 -0.690 0.000 0.776 500 P CB 1.074 32.461 31.700 -0.522 0.000 0.881 501 T N 2.853 116.682 114.554 -1.210 0.000 2.991 501 T HA 0.486 4.837 4.350 0.001 0.000 0.303 501 T C -0.662 173.352 174.700 -1.143 0.000 1.015 501 T CA -0.092 61.302 62.100 -1.177 0.000 1.007 501 T CB 0.388 68.200 68.868 -1.761 0.000 1.034 501 T HN 0.045 nan 8.240 nan 0.000 0.446 502 F N 1.890 121.558 119.950 -0.469 0.000 2.432 502 F HA 0.572 5.099 4.527 0.001 0.000 0.329 502 F C 0.670 176.418 175.800 -0.086 0.000 1.076 502 F CA -0.867 56.983 58.000 -0.250 0.000 1.018 502 F CB 1.143 40.046 39.000 -0.161 0.000 1.201 502 F HN 0.388 nan 8.300 nan 0.000 0.489 503 D N 2.728 123.303 120.400 0.292 0.000 2.346 503 D HA 0.210 4.851 4.640 0.001 0.000 0.255 503 D C -1.813 174.626 176.300 0.232 0.000 1.276 503 D CA -0.053 54.102 54.000 0.258 0.000 0.941 503 D CB 0.403 41.390 40.800 0.311 0.000 1.199 503 D HN 0.296 nan 8.370 nan 0.000 0.537 504 F N 3.020 122.965 119.950 -0.008 0.000 2.578 504 F HA 0.617 5.145 4.527 0.001 0.000 0.311 504 F C -1.142 174.549 175.800 -0.181 0.000 1.094 504 F CA -0.596 57.331 58.000 -0.121 0.000 0.923 504 F CB 1.435 40.295 39.000 -0.234 0.000 1.230 504 F HN 0.010 nan 8.300 nan 0.000 0.450 505 R N 4.131 124.104 120.500 -0.878 0.000 2.698 505 R HA 0.328 4.669 4.340 0.001 0.000 0.275 505 R C -1.651 174.030 176.300 -1.031 0.000 1.001 505 R CA -0.979 54.731 56.100 -0.651 0.000 0.896 505 R CB 1.604 31.730 30.300 -0.291 0.000 1.218 505 R HN 0.586 nan 8.270 nan 0.000 0.462 506 F N 2.958 122.697 119.950 -0.352 0.000 2.590 506 F HA 0.123 4.651 4.527 0.001 0.000 0.389 506 F C -1.283 174.392 175.800 -0.208 0.000 1.049 506 F CA -0.801 57.069 58.000 -0.217 0.000 1.199 506 F CB -0.267 38.726 39.000 -0.012 0.000 1.058 506 F HN 0.122 nan 8.300 nan 0.000 0.556 507 P HA 0.109 nan 4.420 nan 0.000 0.266 507 P C -0.442 176.870 177.300 0.019 0.000 1.195 507 P CA -0.094 62.981 63.100 -0.042 0.000 0.768 507 P CB 0.576 32.266 31.700 -0.017 0.000 0.838 508 A N 2.792 125.610 122.820 -0.003 0.000 2.346 508 A HA 0.550 4.871 4.320 0.001 0.000 0.255 508 A C 1.141 178.739 177.584 0.023 0.000 1.113 508 A CA 0.739 52.781 52.037 0.009 0.000 0.798 508 A CB -1.027 17.971 19.000 -0.004 0.000 1.073 508 A HN 0.821 nan 8.150 nan 0.000 0.502 509 G N -0.290 108.526 108.800 0.026 0.000 2.498 509 G HA2 -0.273 3.688 3.960 0.001 0.000 0.251 509 G HA3 -0.273 3.688 3.960 0.001 0.000 0.251 509 G C 1.037 175.968 174.900 0.051 0.000 1.170 509 G CA 0.839 45.960 45.100 0.036 0.000 0.944 509 G HN 1.032 nan 8.290 nan 0.000 0.567 510 R N -0.307 120.230 120.500 0.061 0.000 2.096 510 R HA -0.106 4.234 4.340 0.001 0.000 0.240 510 R C 2.823 179.182 176.300 0.098 0.000 1.139 510 R CA 2.804 58.951 56.100 0.079 0.000 0.952 510 R CB -0.907 29.442 30.300 0.081 0.000 0.854 510 R HN 0.629 nan 8.270 nan 0.000 0.436 511 T N -0.020 114.595 114.554 0.103 0.000 2.746 511 T HA -0.096 4.255 4.350 0.001 0.000 0.267 511 T C 1.925 176.686 174.700 0.102 0.000 1.039 511 T CA 1.728 63.906 62.100 0.131 0.000 1.142 511 T CB -0.142 68.822 68.868 0.160 0.000 0.866 511 T HN 0.273 nan 8.240 nan 0.000 0.444 512 S N 0.669 116.413 115.700 0.072 0.000 2.355 512 S HA -0.047 4.424 4.470 0.001 0.000 0.222 512 S C 2.033 176.647 174.600 0.024 0.000 1.031 512 S CA 1.044 59.258 58.200 0.023 0.000 0.993 512 S CB -0.213 62.993 63.200 0.010 0.000 0.859 512 S HN 0.526 nan 8.310 nan 0.000 0.453 513 K N 1.334 121.762 120.400 0.047 0.000 2.063 513 K HA -0.152 4.169 4.320 0.001 0.000 0.208 513 K C 1.865 178.524 176.600 0.098 0.000 1.048 513 K CA 1.544 57.867 56.287 0.060 0.000 0.928 513 K CB -0.126 32.413 32.500 0.065 0.000 0.713 513 K HN 0.360 nan 8.250 nan 0.000 0.442 514 E N -0.152 120.131 120.200 0.139 0.000 2.107 514 E HA -0.136 4.215 4.350 0.001 0.000 0.191 514 E C 1.978 178.675 176.600 0.162 0.000 0.982 514 E CA 0.792 57.334 56.400 0.236 0.000 0.809 514 E CB -0.071 29.798 29.700 0.281 0.000 0.756 514 E HN 0.467 nan 8.360 nan 0.000 0.459 515 A N 1.406 124.290 122.820 0.107 0.000 1.908 515 A HA -0.268 4.052 4.320 0.001 0.000 0.218 515 A C 2.071 179.732 177.584 0.127 0.000 1.181 515 A CA 1.939 54.038 52.037 0.102 0.000 0.627 515 A CB -0.387 18.645 19.000 0.052 0.000 0.818 515 A HN 0.160 nan 8.150 nan 0.000 0.445 516 E N 0.298 120.554 120.200 0.092 0.000 2.112 516 E HA -0.119 4.232 4.350 0.001 0.000 0.190 516 E C 1.238 177.828 176.600 -0.017 0.000 0.979 516 E CA 1.332 57.788 56.400 0.093 0.000 0.814 516 E CB -0.257 29.464 29.700 0.036 0.000 0.762 516 E HN 0.512 nan 8.360 nan 0.000 0.460 517 D N 0.044 120.433 120.400 -0.019 0.000 2.178 517 D HA -0.169 4.472 4.640 0.001 0.000 0.201 517 D C 1.853 177.904 176.300 -0.415 0.000 0.980 517 D CA 1.085 55.056 54.000 -0.048 0.000 0.842 517 D CB -0.271 40.637 40.800 0.180 0.000 0.948 517 D HN 0.340 nan 8.370 nan 0.000 0.472 518 M N -0.270 118.881 119.600 -0.748 0.000 2.200 518 M HA -0.144 4.336 4.480 0.001 0.000 0.265 518 M C 2.000 177.858 176.300 -0.737 0.000 1.066 518 M CA 1.019 55.496 55.300 -1.371 0.000 1.127 518 M CB 0.058 32.087 32.600 -0.953 0.000 1.379 518 M HN -0.061 nan 8.290 nan 0.000 0.420 519 M N 0.356 119.661 119.600 -0.491 0.000 2.086 519 M HA -0.144 4.337 4.480 0.001 0.000 0.261 519 M C 1.768 177.847 176.300 -0.368 0.000 1.067 519 M CA 2.318 57.333 55.300 -0.475 0.000 1.116 519 M CB -1.000 31.412 32.600 -0.313 0.000 1.348 519 M HN 0.220 nan 8.290 nan 0.000 0.407 520 T N 0.056 114.468 114.554 -0.238 0.000 2.788 520 T HA -0.154 4.197 4.350 0.001 0.000 0.268 520 T C 1.445 176.065 174.700 -0.133 0.000 1.044 520 T CA 1.741 63.755 62.100 -0.144 0.000 1.139 520 T CB -0.557 68.274 68.868 -0.061 0.000 0.867 520 T HN 0.533 nan 8.240 nan 0.000 0.454 521 D N 0.569 120.878 120.400 -0.151 0.000 2.117 521 D HA -0.055 4.586 4.640 0.001 0.000 0.197 521 D C 2.053 178.336 176.300 -0.029 0.000 0.987 521 D CA 0.841 54.875 54.000 0.057 0.000 0.829 521 D CB -0.206 40.751 40.800 0.261 0.000 0.961 521 D HN 0.274 nan 8.370 nan 0.000 0.460 522 M N -0.471 118.849 119.600 -0.467 0.000 2.117 522 M HA -0.183 4.298 4.480 0.001 0.000 0.262 522 M C 1.979 177.977 176.300 -0.504 0.000 1.065 522 M CA 1.326 56.073 55.300 -0.923 0.000 1.114 522 M CB -0.167 31.627 32.600 -1.344 0.000 1.361 522 M HN 0.206 nan 8.290 nan 0.000 0.408 523 C N -0.393 118.712 119.300 -0.324 0.000 2.413 523 C HA -0.128 4.333 4.460 0.001 0.000 0.276 523 C C 2.673 177.576 174.990 -0.144 0.000 1.248 523 C CA 0.930 59.874 59.018 -0.123 0.000 1.742 523 C CB -1.027 26.687 27.740 -0.044 0.000 2.017 523 C HN 0.496 nan 8.230 nan 0.000 0.481 524 V N 0.394 120.251 119.914 -0.096 0.000 2.323 524 V HA -0.259 3.862 4.120 0.001 0.000 0.244 524 V C 2.384 178.459 176.094 -0.032 0.000 1.041 524 V CA 2.188 64.462 62.300 -0.043 0.000 1.025 524 V CB -0.626 31.223 31.823 0.045 0.000 0.656 524 V HN 0.585 nan 8.190 nan 0.000 0.451 525 M N 0.646 120.270 119.600 0.040 0.000 2.132 525 M HA -0.147 4.333 4.480 0.001 0.000 0.263 525 M C 2.461 178.646 176.300 -0.192 0.000 1.065 525 M CA 2.194 57.596 55.300 0.169 0.000 1.122 525 M CB -0.174 32.690 32.600 0.439 0.000 1.365 525 M HN 0.550 nan 8.290 nan 0.000 0.411 526 S N 0.573 115.841 115.700 -0.720 0.000 2.399 526 S HA -0.071 4.400 4.470 0.001 0.000 0.231 526 S C 1.979 176.184 174.600 -0.658 0.000 1.022 526 S CA 1.012 58.394 58.200 -1.364 0.000 0.983 526 S CB -0.850 61.280 63.200 -1.784 0.000 0.803 526 S HN 0.571 nan 8.310 nan 0.000 0.480 527 A N 2.154 124.691 122.820 -0.472 0.000 2.070 527 A HA -0.024 4.297 4.320 0.001 0.000 0.220 527 A C 2.161 179.615 177.584 -0.217 0.000 1.159 527 A CA 1.370 53.184 52.037 -0.372 0.000 0.656 527 A CB -0.578 18.235 19.000 -0.312 0.000 0.800 527 A HN 0.645 nan 8.150 nan 0.000 0.453 528 K N -0.661 119.656 120.400 -0.139 0.000 2.360 528 K HA -0.034 4.287 4.320 0.001 0.000 0.201 528 K C 1.127 177.718 176.600 -0.015 0.000 1.046 528 K CA 0.893 57.147 56.287 -0.055 0.000 0.945 528 K CB -0.054 32.448 32.500 0.003 0.000 0.750 528 K HN 0.415 nan 8.250 nan 0.000 0.464 529 I N -0.897 119.677 120.570 0.007 0.000 3.172 529 I HA 0.160 4.331 4.170 0.001 0.000 0.278 529 I C 1.085 177.213 176.117 0.019 0.000 1.174 529 I CA 0.546 61.898 61.300 0.087 0.000 1.445 529 I CB 0.093 38.282 38.000 0.315 0.000 1.175 529 I HN 0.112 nan 8.210 nan 0.000 0.447 530 G N -0.611 108.145 108.800 -0.074 0.000 2.328 530 G HA2 0.444 4.404 3.960 0.001 0.000 0.295 530 G HA3 0.444 4.404 3.960 0.001 0.000 0.295 530 G C -0.566 174.182 174.900 -0.254 0.000 1.413 530 G CA -0.201 44.829 45.100 -0.117 0.000 0.817 530 G HN 0.288 nan 8.290 nan 0.000 0.546 531 G N -1.147 107.497 108.800 -0.260 0.000 2.616 531 G HA2 0.549 4.510 3.960 0.001 0.000 0.268 531 G HA3 0.549 4.510 3.960 0.001 0.000 0.268 531 G C -0.222 174.473 174.900 -0.342 0.000 1.213 531 G CA -0.538 44.306 45.100 -0.428 0.000 0.926 531 G HN 0.472 nan 8.290 nan 0.000 0.523 532 F N -0.863 118.993 119.950 -0.157 0.000 2.553 532 F HA 0.217 4.745 4.527 0.001 0.000 0.356 532 F C 0.683 176.424 175.800 -0.098 0.000 1.142 532 F CA -0.752 57.151 58.000 -0.162 0.000 1.322 532 F CB 0.693 39.589 39.000 -0.173 0.000 1.126 532 F HN 0.166 nan 8.300 nan 0.000 0.599 533 L N 5.873 127.170 121.223 0.125 0.000 2.315 533 L HA 0.447 4.788 4.340 0.001 0.000 0.283 533 L C -2.478 174.441 176.870 0.083 0.000 1.089 533 L CA -2.011 52.876 54.840 0.079 0.000 0.833 533 L CB 0.188 42.289 42.059 0.071 0.000 1.170 533 L HN 0.279 nan 8.230 nan 0.000 0.442 534 P HA 0.171 nan 4.420 nan 0.000 0.263 534 P C 0.637 177.989 177.300 0.086 0.000 1.175 534 P CA 1.241 64.383 63.100 0.069 0.000 0.761 534 P CB 0.615 32.350 31.700 0.059 0.000 0.794 535 G N 2.006 110.850 108.800 0.074 0.000 2.217 535 G HA2 -0.237 3.723 3.960 0.001 0.000 0.246 535 G HA3 -0.237 3.723 3.960 0.001 0.000 0.246 535 G C 0.511 175.497 174.900 0.143 0.000 0.990 535 G CA 0.223 45.388 45.100 0.107 0.000 0.627 535 G HN 0.525 nan 8.290 nan 0.000 0.522 536 S N 0.859 116.616 115.700 0.094 0.000 2.474 536 S HA 0.528 4.999 4.470 0.001 0.000 0.224 536 S C 0.493 175.004 174.600 -0.149 0.000 1.209 536 S CA -0.541 57.693 58.200 0.057 0.000 1.212 536 S CB 0.269 63.470 63.200 0.002 0.000 1.137 536 S HN 0.468 nan 8.310 nan 0.000 0.446 537 L N 2.212 123.341 121.223 -0.157 0.000 2.472 537 L HA 0.334 4.675 4.340 0.001 0.000 0.260 537 L C -2.113 174.463 176.870 -0.491 0.000 1.209 537 L CA -2.197 52.416 54.840 -0.379 0.000 0.817 537 L CB -0.148 41.750 42.059 -0.269 0.000 1.106 537 L HN 0.065 nan 8.230 nan 0.000 0.479 538 P HA -0.000 nan 4.420 nan 0.000 0.263 538 P C -1.370 175.704 177.300 -0.377 0.000 1.195 538 P CA 0.147 62.861 63.100 -0.642 0.000 0.762 538 P CB 0.362 31.591 31.700 -0.784 0.000 0.799 539 Q N 1.739 121.364 119.800 -0.293 0.000 2.426 539 Q HA 0.470 4.811 4.340 0.001 0.000 0.278 539 Q C -1.470 174.405 176.000 -0.209 0.000 1.007 539 Q CA -0.850 54.866 55.803 -0.144 0.000 0.850 539 Q CB 0.721 29.442 28.738 -0.028 0.000 1.427 539 Q HN 0.091 nan 8.270 nan 0.000 0.391 540 F N 1.775 121.662 119.950 -0.104 0.000 2.443 540 F HA 0.294 4.822 4.527 0.001 0.000 0.353 540 F C 0.596 176.356 175.800 -0.067 0.000 1.101 540 F CA -0.349 57.588 58.000 -0.105 0.000 1.226 540 F CB 0.953 39.878 39.000 -0.124 0.000 1.140 540 F HN 0.405 nan 8.300 nan 0.000 0.557 541 M N 1.790 121.425 119.600 0.060 0.000 2.247 541 M HA 0.123 4.603 4.480 0.001 0.000 0.326 541 M C 0.266 176.602 176.300 0.060 0.000 1.134 541 M CA -0.501 54.811 55.300 0.020 0.000 1.136 541 M CB 0.457 33.020 32.600 -0.062 0.000 1.454 541 M HN 0.596 nan 8.290 nan 0.000 0.467 542 E N 2.960 123.173 120.200 0.022 0.000 2.568 542 E HA -0.002 4.348 4.350 0.001 0.000 0.262 542 E C -2.168 174.453 176.600 0.036 0.000 0.961 542 E CA -1.157 55.257 56.400 0.023 0.000 0.945 542 E CB 0.329 30.017 29.700 -0.020 0.000 0.924 542 E HN 0.216 nan 8.360 nan 0.000 0.467 543 P HA 0.045 nan 4.420 nan 0.000 0.262 543 P C 0.274 177.504 177.300 -0.118 0.000 1.199 543 P CA 1.125 64.269 63.100 0.074 0.000 0.763 543 P CB 0.647 32.368 31.700 0.036 0.000 0.790 544 G N 2.585 111.317 108.800 -0.113 0.000 2.195 544 G HA2 -0.317 3.644 3.960 0.001 0.000 0.246 544 G HA3 -0.317 3.644 3.960 0.001 0.000 0.246 544 G C 0.763 175.599 174.900 -0.107 0.000 0.984 544 G CA 0.148 45.131 45.100 -0.194 0.000 0.633 544 G HN 0.509 nan 8.290 nan 0.000 0.525 545 L N 0.954 122.134 121.223 -0.072 0.000 2.081 545 L HA 0.060 4.401 4.340 0.001 0.000 0.212 545 L C 2.865 179.700 176.870 -0.058 0.000 1.080 545 L CA 2.552 57.354 54.840 -0.063 0.000 0.754 545 L CB -0.485 41.533 42.059 -0.069 0.000 0.893 545 L HN 0.459 nan 8.230 nan 0.000 0.433 546 V N -0.119 119.758 119.914 -0.060 0.000 2.688 546 V HA -0.192 3.929 4.120 0.001 0.000 0.256 546 V C 1.503 177.500 176.094 -0.161 0.000 1.084 546 V CA 1.175 63.412 62.300 -0.105 0.000 1.103 546 V CB -0.359 31.427 31.823 -0.062 0.000 0.688 546 V HN 0.506 nan 8.190 nan 0.000 0.480 547 L N -0.019 121.184 121.223 -0.034 0.000 3.634 547 L HA -0.254 4.086 4.340 0.001 0.000 0.423 547 L C 0.314 177.347 176.870 0.271 0.000 1.253 547 L CA 0.868 55.755 54.840 0.078 0.000 0.885 547 L CB -2.525 39.596 42.059 0.104 0.000 1.789 547 L HN 0.566 nan 8.230 nan 0.000 0.904 548 H N -0.616 118.555 119.070 0.168 0.000 2.467 548 H HA 0.282 4.839 4.556 0.001 0.000 0.275 548 H C 0.528 175.997 175.328 0.235 0.000 1.131 548 H CA -1.086 55.108 56.048 0.243 0.000 0.989 548 H CB 0.703 30.652 29.762 0.312 0.000 1.696 548 H HN 0.217 nan 8.280 nan 0.000 0.574 549 L N 2.011 123.382 121.223 0.246 0.000 2.559 549 L HA 0.168 4.509 4.340 0.001 0.000 0.274 549 L C 0.604 177.615 176.870 0.236 0.000 1.205 549 L CA 0.762 55.697 54.840 0.160 0.000 0.907 549 L CB 0.220 42.331 42.059 0.086 0.000 1.153 549 L HN 0.294 nan 8.230 nan 0.000 0.490 550 G N 2.004 110.963 108.800 0.265 0.000 3.015 550 G HA2 0.546 4.507 3.960 0.001 0.000 0.281 550 G HA3 0.546 4.507 3.960 0.001 0.000 0.281 550 G C 0.354 175.364 174.900 0.183 0.000 1.386 550 G CA -0.357 44.903 45.100 0.266 0.000 0.959 550 G HN 1.345 nan 8.290 nan 0.000 0.522 551 G N -1.551 107.322 108.800 0.123 0.000 2.162 551 G HA2 -0.240 3.720 3.960 0.001 0.000 0.260 551 G HA3 -0.240 3.720 3.960 0.001 0.000 0.260 551 G C 1.260 176.229 174.900 0.115 0.000 0.976 551 G CA 1.620 46.804 45.100 0.140 0.000 0.655 551 G HN 1.801 nan 8.290 nan 0.000 0.533 552 T N -2.005 112.561 114.554 0.019 0.000 3.055 552 T HA 0.202 4.553 4.350 0.001 0.000 0.265 552 T C 0.980 175.767 174.700 0.145 0.000 1.111 552 T CA 1.682 63.838 62.100 0.094 0.000 1.118 552 T CB -0.246 68.686 68.868 0.106 0.000 0.909 552 T HN 1.369 nan 8.240 nan 0.000 0.501 553 H N 0.033 119.179 119.070 0.126 0.000 2.695 553 H HA 0.489 5.046 4.556 0.001 0.000 0.222 553 H C -0.085 175.287 175.328 0.073 0.000 1.412 553 H CA -1.323 54.776 56.048 0.083 0.000 1.347 553 H CB -0.096 29.679 29.762 0.022 0.000 1.858 553 H HN 0.302 nan 8.280 nan 0.000 0.519 554 R N 0.641 121.229 120.500 0.146 0.000 2.577 554 R HA 0.398 4.739 4.340 0.001 0.000 0.269 554 R C -0.369 175.988 176.300 0.094 0.000 1.084 554 R CA -0.889 55.265 56.100 0.090 0.000 1.163 554 R CB 1.039 31.386 30.300 0.079 0.000 1.100 554 R HN 0.432 nan 8.270 nan 0.000 0.547 555 M N 0.728 120.358 119.600 0.050 0.000 2.277 555 M HA 0.460 4.941 4.480 0.001 0.000 0.350 555 M C -0.636 175.655 176.300 -0.015 0.000 1.180 555 M CA 0.057 55.362 55.300 0.009 0.000 1.103 555 M CB 1.722 34.302 32.600 -0.033 0.000 1.577 555 M HN 0.934 nan 8.290 nan 0.000 0.459 556 G N 2.163 110.966 108.800 0.005 0.000 2.600 556 G HA2 0.439 4.400 3.960 0.001 0.000 0.293 556 G HA3 0.439 4.400 3.960 0.001 0.000 0.293 556 G C -0.912 173.972 174.900 -0.027 0.000 1.408 556 G CA -0.642 44.413 45.100 -0.076 0.000 0.782 556 G HN 0.676 nan 8.290 nan 0.000 0.482 557 F N -0.145 119.904 119.950 0.165 0.000 2.234 557 F HA 0.257 4.786 4.527 0.003 0.000 0.296 557 F C 1.071 177.000 175.800 0.215 0.000 1.089 557 F CA 0.914 59.017 58.000 0.173 0.000 1.343 557 F CB 0.385 39.443 39.000 0.098 0.000 1.040 557 F HN 0.346 nan 8.300 nan 0.000 0.498 558 D N -0.762 119.798 120.400 0.266 0.000 2.593 558 D HA 0.126 4.767 4.640 0.001 0.000 0.251 558 D C 0.815 176.933 176.300 -0.302 0.000 1.140 558 D CA -0.215 53.778 54.000 -0.012 0.000 0.855 558 D CB 1.245 42.057 40.800 0.020 0.000 1.267 558 D HN 0.097 nan 8.370 nan 0.000 0.532 559 E N 3.191 122.839 120.200 -0.921 0.000 2.065 559 E HA -0.297 4.054 4.350 0.001 0.000 0.201 559 E C 1.276 177.691 176.600 -0.308 0.000 1.016 559 E CA 1.306 57.178 56.400 -0.881 0.000 0.818 559 E CB 0.278 29.343 29.700 -1.058 0.000 0.749 559 E HN 0.380 nan 8.360 nan 0.000 0.453 560 K N 0.045 120.311 120.400 -0.223 0.000 2.007 560 K HA -0.135 4.186 4.320 0.001 0.000 0.206 560 K C 2.164 178.729 176.600 -0.059 0.000 1.047 560 K CA 1.412 57.639 56.287 -0.099 0.000 0.937 560 K CB -0.021 32.438 32.500 -0.069 0.000 0.718 560 K HN 0.178 nan 8.250 nan 0.000 0.438 561 E N 0.325 120.495 120.200 -0.049 0.000 2.110 561 E HA -0.150 4.201 4.350 0.001 0.000 0.193 561 E C 0.869 177.465 176.600 -0.007 0.000 0.988 561 E CA 1.000 57.394 56.400 -0.010 0.000 0.804 561 E CB 0.108 29.816 29.700 0.013 0.000 0.745 561 E HN 0.313 nan 8.360 nan 0.000 0.458 562 D N 0.098 120.488 120.400 -0.016 0.000 2.363 562 D HA 0.048 4.689 4.640 0.001 0.000 0.214 562 D C -0.610 175.623 176.300 -0.112 0.000 1.093 562 D CA -0.014 53.971 54.000 -0.025 0.000 0.837 562 D CB 0.018 40.841 40.800 0.038 0.000 0.948 562 D HN 0.076 nan 8.370 nan 0.000 0.507 563 N N 0.586 119.214 118.700 -0.119 0.000 2.642 563 N HA -0.188 4.553 4.740 0.001 0.000 0.269 563 N C -0.330 175.095 175.510 -0.141 0.000 1.073 563 N CA 0.573 53.526 53.050 -0.162 0.000 0.748 563 N CB -1.340 36.903 38.487 -0.407 0.000 0.894 563 N HN 0.404 nan 8.380 nan 0.000 0.548 564 C N -3.193 116.102 119.300 -0.008 0.000 3.318 564 C HA 0.781 5.242 4.460 0.001 0.000 0.329 564 C C 1.284 176.428 174.990 0.256 0.000 1.449 564 C CA -0.651 58.432 59.018 0.109 0.000 1.397 564 C CB 1.580 29.405 27.740 0.140 0.000 1.810 564 C HN 0.507 nan 8.230 nan 0.000 0.449 565 C N 0.265 119.753 119.300 0.314 0.000 3.123 565 C HA 0.507 4.968 4.460 0.001 0.000 0.399 565 C C 0.642 175.765 174.990 0.221 0.000 1.320 565 C CA 0.636 59.837 59.018 0.306 0.000 1.949 565 C CB -0.306 27.538 27.740 0.173 0.000 2.692 565 C HN 0.974 nan 8.230 nan 0.000 0.623 566 V N 1.195 121.137 119.914 0.046 0.000 3.040 566 V HA 0.722 4.843 4.120 0.001 0.000 0.312 566 V C -0.789 174.966 176.094 -0.567 0.000 1.115 566 V CA -0.617 61.459 62.300 -0.374 0.000 0.998 566 V CB 1.600 33.305 31.823 -0.196 0.000 1.042 566 V HN 0.386 nan 8.190 nan 0.000 0.433 567 N N 0.796 118.985 118.700 -0.851 0.000 2.495 567 N HA 0.285 5.025 4.740 0.001 0.000 0.294 567 N C 1.010 176.367 175.510 -0.256 0.000 1.276 567 N CA 0.243 52.994 53.050 -0.499 0.000 0.973 567 N CB -0.060 38.123 38.487 -0.507 0.000 1.143 567 N HN 0.925 nan 8.380 nan 0.000 0.589 568 T N -4.614 109.838 114.554 -0.169 0.000 3.163 568 T HA 0.034 4.385 4.350 0.001 0.000 0.260 568 T C 0.045 174.666 174.700 -0.133 0.000 1.156 568 T CA 0.595 62.601 62.100 -0.156 0.000 1.072 568 T CB -0.374 68.424 68.868 -0.116 0.000 0.937 568 T HN 0.445 nan 8.240 nan 0.000 0.528 569 D N 1.095 121.405 120.400 -0.150 0.000 2.340 569 D HA 0.186 4.827 4.640 0.001 0.000 0.217 569 D C 0.413 176.706 176.300 -0.012 0.000 1.081 569 D CA 0.048 53.980 54.000 -0.114 0.000 0.842 569 D CB 0.162 40.778 40.800 -0.306 0.000 0.934 569 D HN 0.314 nan 8.370 nan 0.000 0.511 570 S N 0.529 116.189 115.700 -0.067 0.000 3.587 570 S HA -0.262 4.209 4.470 0.001 0.000 0.337 570 S C 0.499 175.058 174.600 -0.069 0.000 1.119 570 S CA 0.524 58.713 58.200 -0.019 0.000 0.976 570 S CB -1.357 61.918 63.200 0.125 0.000 0.922 570 S HN 0.485 nan 8.310 nan 0.000 0.503 571 R N 0.676 120.992 120.500 -0.307 0.000 2.428 571 R HA 0.554 4.894 4.340 0.001 0.000 0.294 571 R C -0.087 175.889 176.300 -0.539 0.000 1.000 571 R CA -0.576 55.146 56.100 -0.629 0.000 0.960 571 R CB 0.828 30.718 30.300 -0.684 0.000 1.076 571 R HN 0.122 nan 8.270 nan 0.000 0.475 572 V N 5.420 125.058 119.914 -0.460 0.000 2.585 572 V HA 0.049 4.170 4.120 0.001 0.000 0.296 572 V C 0.098 176.118 176.094 -0.124 0.000 1.035 572 V CA 0.146 62.269 62.300 -0.296 0.000 1.084 572 V CB 0.057 31.687 31.823 -0.321 0.000 0.953 572 V HN 0.572 nan 8.190 nan 0.000 0.483 573 F N 3.745 123.722 119.950 0.045 0.000 2.608 573 F HA 0.402 4.930 4.527 0.002 0.000 0.380 573 F C 1.549 177.469 175.800 0.199 0.000 1.083 573 F CA 1.576 59.630 58.000 0.090 0.000 1.266 573 F CB 0.057 39.106 39.000 0.081 0.000 1.076 573 F HN 0.790 nan 8.300 nan 0.000 0.574 574 G N 2.241 111.216 108.800 0.292 0.000 2.241 574 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 574 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 574 G C -0.155 174.706 174.900 -0.065 0.000 0.998 574 G CA -0.491 44.678 45.100 0.115 0.000 0.621 574 G HN 0.445 nan 8.290 nan 0.000 0.519 575 F N 1.482 121.451 119.950 0.032 0.000 2.449 575 F HA 0.551 5.079 4.527 0.002 0.000 0.342 575 F C 1.456 177.242 175.800 -0.023 0.000 1.127 575 F CA -0.943 57.068 58.000 0.017 0.000 0.975 575 F CB 1.684 40.693 39.000 0.015 0.000 1.146 575 F HN -0.184 nan 8.300 nan 0.000 0.444 576 K N 1.574 122.074 120.400 0.166 0.000 2.209 576 K HA -0.108 4.213 4.320 0.001 0.000 0.204 576 K C 0.680 177.493 176.600 0.355 0.000 1.048 576 K CA 1.213 57.638 56.287 0.230 0.000 0.940 576 K CB 0.007 32.650 32.500 0.238 0.000 0.729 576 K HN 0.619 nan 8.250 nan 0.000 0.451 577 N N 0.010 118.887 118.700 0.294 0.000 2.307 577 N HA 0.036 4.777 4.740 0.001 0.000 0.248 577 N C -0.673 174.958 175.510 0.200 0.000 1.322 577 N CA -0.328 52.949 53.050 0.380 0.000 0.861 577 N CB -0.040 38.722 38.487 0.457 0.000 1.303 577 N HN -0.038 nan 8.380 nan 0.000 0.498 578 L N 0.657 121.780 121.223 -0.167 0.000 2.333 578 L HA 0.714 5.054 4.340 0.001 0.000 0.280 578 L C -1.761 174.745 176.870 -0.605 0.000 1.004 578 L CA -0.617 54.103 54.840 -0.201 0.000 0.820 578 L CB 0.828 42.752 42.059 -0.225 0.000 1.247 578 L HN -0.048 nan 8.230 nan 0.000 0.416 579 F N 4.810 124.679 119.950 -0.134 0.000 2.563 579 F HA 0.687 5.215 4.527 0.001 0.000 0.316 579 F C -0.552 175.103 175.800 -0.242 0.000 1.076 579 F CA -0.723 57.179 58.000 -0.163 0.000 0.921 579 F CB 1.812 40.747 39.000 -0.109 0.000 1.209 579 F HN 0.210 nan 8.300 nan 0.000 0.462 580 L N 1.574 122.763 121.223 -0.056 0.000 2.362 580 L HA 0.883 5.224 4.340 0.001 0.000 0.271 580 L C 0.031 176.923 176.870 0.037 0.000 1.002 580 L CA -0.840 53.904 54.840 -0.159 0.000 0.818 580 L CB 1.945 43.764 42.059 -0.400 0.000 1.298 580 L HN 0.781 nan 8.230 nan 0.000 0.420 581 G N 0.201 109.038 108.800 0.061 0.000 2.481 581 G HA2 0.803 4.764 3.960 0.001 0.000 0.315 581 G HA3 0.803 4.764 3.960 0.001 0.000 0.315 581 G C -0.498 174.529 174.900 0.212 0.000 1.231 581 G CA -0.327 44.908 45.100 0.225 0.000 0.968 581 G HN 0.972 nan 8.290 nan 0.000 0.482 582 G N -1.339 107.574 108.800 0.188 0.000 2.354 582 G HA2 0.064 4.024 3.960 0.001 0.000 0.582 582 G HA3 0.064 4.024 3.960 0.001 0.000 0.582 582 G C 0.707 175.657 174.900 0.083 0.000 1.316 582 G CA 0.027 45.214 45.100 0.145 0.000 0.995 582 G HN 1.130 nan 8.290 nan 0.000 0.573 583 C N 0.572 119.901 119.300 0.047 0.000 2.419 583 C HA 0.190 4.651 4.460 0.001 0.000 0.283 583 C C 3.034 177.999 174.990 -0.042 0.000 1.373 583 C CA 1.826 60.850 59.018 0.010 0.000 1.781 583 C CB -1.322 26.462 27.740 0.073 0.000 1.886 583 C HN 1.266 nan 8.230 nan 0.000 0.520 584 G N 1.188 109.873 108.800 -0.191 0.000 2.462 584 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 584 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 584 G C 1.427 175.987 174.900 -0.567 0.000 1.121 584 G CA 0.779 45.494 45.100 -0.640 0.000 0.758 584 G HN 0.555 nan 8.290 nan 0.000 0.559 585 N N 0.306 118.877 118.700 -0.216 0.000 2.396 585 N HA 0.026 4.767 4.740 0.001 0.000 0.180 585 N C 0.840 176.359 175.510 0.015 0.000 1.028 585 N CA 0.169 53.226 53.050 0.012 0.000 0.893 585 N CB 0.073 38.612 38.487 0.087 0.000 0.967 585 N HN 0.305 nan 8.380 nan 0.000 0.440 586 I N 3.062 123.638 120.570 0.009 0.000 2.436 586 I HA 0.047 4.218 4.170 0.001 0.000 0.289 586 I C -1.340 174.863 176.117 0.143 0.000 1.083 586 I CA -1.016 60.312 61.300 0.048 0.000 1.372 586 I CB 1.354 39.313 38.000 -0.067 0.000 1.408 586 I HN -0.072 nan 8.210 nan 0.000 0.516 587 P HA 0.067 nan 4.420 nan 0.000 0.264 587 P C 0.291 177.687 177.300 0.160 0.000 1.259 587 P CA 0.205 63.378 63.100 0.123 0.000 0.841 587 P CB 0.296 32.027 31.700 0.051 0.000 1.232 588 T N -1.872 112.810 114.554 0.213 0.000 2.849 588 T HA 0.670 5.020 4.350 0.001 0.000 0.276 588 T C 0.240 175.087 174.700 0.244 0.000 0.971 588 T CA -0.825 61.391 62.100 0.193 0.000 0.949 588 T CB 0.909 69.866 68.868 0.149 0.000 1.093 588 T HN 0.050 nan 8.240 nan 0.000 0.545 589 A N 1.590 124.486 122.820 0.126 0.000 2.279 589 A HA 0.619 4.940 4.320 0.001 0.000 0.306 589 A C -0.734 176.825 177.584 -0.040 0.000 1.300 589 A CA -0.893 51.166 52.037 0.037 0.000 0.925 589 A CB -0.826 18.214 19.000 0.067 0.000 1.152 589 A HN 0.833 nan 8.150 nan 0.000 0.544 590 Y N -0.384 119.828 120.300 -0.146 0.000 2.499 590 Y HA 0.728 5.279 4.550 0.001 0.000 0.347 590 Y C 0.728 176.503 175.900 -0.209 0.000 0.987 590 Y CA -0.791 57.029 58.100 -0.467 0.000 1.044 590 Y CB 1.483 39.391 38.460 -0.920 0.000 1.245 590 Y HN 0.373 nan 8.280 nan 0.000 0.461 591 G N 0.386 109.107 108.800 -0.132 0.000 2.784 591 G HA2 0.416 4.377 3.960 0.001 0.000 0.208 591 G HA3 0.416 4.377 3.960 0.001 0.000 0.208 591 G C 0.405 175.400 174.900 0.157 0.000 1.120 591 G CA 0.185 45.408 45.100 0.205 0.000 0.774 591 G HN 0.950 nan 8.290 nan 0.000 0.528 592 A N 0.742 123.482 122.820 -0.134 0.000 2.327 592 A HA 0.494 4.815 4.320 0.001 0.000 0.255 592 A C -0.056 177.443 177.584 -0.142 0.000 1.099 592 A CA -0.487 51.358 52.037 -0.320 0.000 0.801 592 A CB 0.079 18.894 19.000 -0.309 0.000 1.062 592 A HN 0.342 nan 8.150 nan 0.000 0.496 593 N N 1.586 120.066 118.700 -0.366 0.000 2.468 593 N HA 0.256 4.997 4.740 0.001 0.000 0.265 593 N C -2.040 173.390 175.510 -0.132 0.000 1.199 593 N CA -0.946 51.867 53.050 -0.395 0.000 0.928 593 N CB 0.472 38.789 38.487 -0.282 0.000 1.059 593 N HN 0.390 nan 8.380 nan 0.000 0.467 594 P HA -0.037 nan 4.420 nan 0.000 0.231 594 P C 0.572 177.790 177.300 -0.137 0.000 1.168 594 P CA 0.818 63.846 63.100 -0.121 0.000 0.779 594 P CB 0.257 31.864 31.700 -0.155 0.000 0.844 595 T N 0.950 115.489 114.554 -0.024 0.000 2.746 595 T HA -0.147 4.204 4.350 0.001 0.000 0.267 595 T C 1.781 176.567 174.700 0.144 0.000 1.039 595 T CA 1.037 63.179 62.100 0.069 0.000 1.142 595 T CB -0.900 68.031 68.868 0.106 0.000 0.866 595 T HN 0.020 nan 8.240 nan 0.000 0.444 596 L N 1.003 122.321 121.223 0.157 0.000 2.042 596 L HA -0.127 4.214 4.340 0.001 0.000 0.210 596 L C 2.546 179.500 176.870 0.139 0.000 1.076 596 L CA 1.785 56.772 54.840 0.245 0.000 0.749 596 L CB -1.014 41.160 42.059 0.191 0.000 0.893 596 L HN 0.197 nan 8.230 nan 0.000 0.432 597 T N -0.505 113.995 114.554 -0.090 0.000 2.777 597 T HA -0.127 4.224 4.350 0.001 0.000 0.266 597 T C 1.876 176.493 174.700 -0.138 0.000 1.040 597 T CA 1.208 63.162 62.100 -0.243 0.000 1.141 597 T CB -0.440 67.822 68.868 -1.009 0.000 0.868 597 T HN 0.523 nan 8.240 nan 0.000 0.444 598 A N 1.390 124.140 122.820 -0.117 0.000 1.933 598 A HA -0.018 4.303 4.320 0.001 0.000 0.218 598 A C 2.282 179.843 177.584 -0.038 0.000 1.175 598 A CA 1.652 53.658 52.037 -0.052 0.000 0.628 598 A CB -0.668 18.323 19.000 -0.014 0.000 0.814 598 A HN 0.545 nan 8.150 nan 0.000 0.444 599 M N -0.508 119.083 119.600 -0.015 0.000 2.175 599 M HA -0.105 4.376 4.480 0.001 0.000 0.264 599 M C 2.027 178.248 176.300 -0.132 0.000 1.063 599 M CA 1.939 57.204 55.300 -0.058 0.000 1.119 599 M CB -0.121 32.460 32.600 -0.031 0.000 1.377 599 M HN 0.339 nan 8.290 nan 0.000 0.415 600 S N 1.300 116.923 115.700 -0.127 0.000 2.368 600 S HA -0.110 4.360 4.470 0.001 0.000 0.225 600 S C 1.747 176.156 174.600 -0.319 0.000 1.030 600 S CA 1.444 59.496 58.200 -0.246 0.000 0.999 600 S CB -0.524 62.486 63.200 -0.317 0.000 0.844 600 S HN 0.522 nan 8.310 nan 0.000 0.459 601 L N 1.195 122.272 121.223 -0.243 0.000 2.083 601 L HA -0.148 4.193 4.340 0.001 0.000 0.209 601 L C 2.791 179.533 176.870 -0.215 0.000 1.083 601 L CA 1.175 55.879 54.840 -0.226 0.000 0.752 601 L CB -0.769 41.226 42.059 -0.107 0.000 0.899 601 L HN 0.313 nan 8.230 nan 0.000 0.433 602 A N 0.523 123.209 122.820 -0.224 0.000 1.908 602 A HA -0.201 4.120 4.320 0.001 0.000 0.218 602 A C 2.240 179.492 177.584 -0.553 0.000 1.181 602 A CA 1.658 53.424 52.037 -0.452 0.000 0.627 602 A CB -0.702 18.021 19.000 -0.462 0.000 0.818 602 A HN 0.351 nan 8.150 nan 0.000 0.445 603 I N -0.532 119.815 120.570 -0.371 0.000 2.118 603 I HA -0.318 3.853 4.170 0.001 0.000 0.241 603 I C 2.590 178.543 176.117 -0.274 0.000 1.070 603 I CA 2.099 63.219 61.300 -0.300 0.000 1.327 603 I CB -0.292 37.546 38.000 -0.269 0.000 1.034 603 I HN 0.390 nan 8.210 nan 0.000 0.405 604 K N 0.455 120.690 120.400 -0.275 0.000 2.097 604 K HA -0.209 4.111 4.320 0.001 0.000 0.206 604 K C 2.350 178.862 176.600 -0.147 0.000 1.049 604 K CA 1.711 57.867 56.287 -0.217 0.000 0.933 604 K CB -0.108 32.230 32.500 -0.269 0.000 0.717 604 K HN 0.140 nan 8.250 nan 0.000 0.442 605 S N -0.071 115.522 115.700 -0.178 0.000 2.383 605 S HA -0.165 4.306 4.470 0.001 0.000 0.229 605 S C 2.017 176.529 174.600 -0.147 0.000 1.030 605 S CA 1.444 59.589 58.200 -0.092 0.000 1.002 605 S CB -0.421 62.761 63.200 -0.030 0.000 0.829 605 S HN 0.559 nan 8.310 nan 0.000 0.467 606 C N 1.481 120.609 119.300 -0.287 0.000 2.440 606 C HA 0.038 4.499 4.460 0.001 0.000 0.278 606 C C 2.483 177.395 174.990 -0.129 0.000 1.295 606 C CA 0.611 59.475 59.018 -0.258 0.000 1.738 606 C CB -1.402 26.145 27.740 -0.322 0.000 1.987 606 C HN 0.685 nan 8.230 nan 0.000 0.492 607 E N -0.332 119.813 120.200 -0.092 0.000 2.070 607 E HA -0.296 4.055 4.350 0.001 0.000 0.197 607 E C 1.849 178.461 176.600 0.020 0.000 1.004 607 E CA 1.795 58.173 56.400 -0.036 0.000 0.805 607 E CB -0.386 29.287 29.700 -0.045 0.000 0.744 607 E HN 0.825 nan 8.360 nan 0.000 0.451 608 Y N 1.322 121.595 120.300 -0.047 0.000 2.145 608 Y HA -0.237 4.314 4.550 0.001 0.000 0.286 608 Y C 2.090 178.031 175.900 0.068 0.000 1.145 608 Y CA 1.569 59.687 58.100 0.029 0.000 1.148 608 Y CB -0.172 38.346 38.460 0.096 0.000 0.981 608 Y HN -0.059 nan 8.280 nan 0.000 0.507 609 I N 0.399 121.021 120.570 0.086 0.000 2.163 609 I HA -0.374 3.797 4.170 0.001 0.000 0.243 609 I C 2.321 178.496 176.117 0.098 0.000 1.085 609 I CA 1.829 63.155 61.300 0.043 0.000 1.347 609 I CB -0.413 37.380 38.000 -0.345 0.000 1.044 609 I HN 0.202 nan 8.210 nan 0.000 0.408 610 K N 0.194 120.608 120.400 0.022 0.000 2.211 610 K HA -0.179 4.141 4.320 0.001 0.000 0.203 610 K C 1.976 178.622 176.600 0.077 0.000 1.050 610 K CA 1.079 57.446 56.287 0.134 0.000 0.945 610 K CB -0.092 32.460 32.500 0.086 0.000 0.732 610 K HN 0.478 nan 8.250 nan 0.000 0.451 611 Q N -0.285 119.490 119.800 -0.041 0.000 2.398 611 Q HA 0.055 4.396 4.340 0.001 0.000 0.204 611 Q C 1.007 176.891 176.000 -0.193 0.000 0.932 611 Q CA 0.501 56.238 55.803 -0.110 0.000 0.916 611 Q CB 0.417 29.071 28.738 -0.140 0.000 1.024 611 Q HN 0.287 nan 8.270 nan 0.000 0.504 612 N N -0.991 117.561 118.700 -0.246 0.000 2.159 612 N HA 0.150 4.891 4.740 0.001 0.000 0.217 612 N C -0.977 174.131 175.510 -0.670 0.000 1.223 612 N CA 0.220 52.985 53.050 -0.475 0.000 0.896 612 N CB 1.010 39.047 38.487 -0.751 0.000 1.064 612 N HN -0.010 nan 8.380 nan 0.000 0.518 613 F N 0.455 120.422 119.950 0.028 0.000 2.569 613 F HA 0.313 4.840 4.527 0.002 0.000 0.312 613 F C 0.051 175.966 175.800 0.193 0.000 1.109 613 F CA -0.666 57.410 58.000 0.128 0.000 0.919 613 F CB 1.848 40.940 39.000 0.154 0.000 1.211 613 F HN -0.366 nan 8.300 nan 0.000 0.446 614 T N 4.152 118.865 114.554 0.265 0.000 2.767 614 T HA 0.391 4.742 4.350 0.001 0.000 0.288 614 T C -2.537 172.171 174.700 0.013 0.000 0.963 614 T CA -1.392 60.761 62.100 0.087 0.000 1.019 614 T CB 0.957 69.843 68.868 0.029 0.000 0.923 614 T HN 0.122 nan 8.240 nan 0.000 0.468 615 P HA 0.129 nan 4.420 nan 0.000 0.266 615 P C 0.082 177.294 177.300 -0.146 0.000 1.195 615 P CA -0.425 62.402 63.100 -0.455 0.000 0.768 615 P CB 0.281 31.555 31.700 -0.710 0.000 0.838 616 S N 3.052 118.716 115.700 -0.061 0.000 2.576 616 S HA 0.266 4.737 4.470 0.001 0.000 0.272 616 S C -2.220 172.370 174.600 -0.016 0.000 1.352 616 S CA -0.933 57.254 58.200 -0.021 0.000 1.021 616 S CB -0.936 62.258 63.200 -0.010 0.000 0.887 616 S HN 0.265 nan 8.310 nan 0.000 0.542 617 P HA 0.203 nan 4.420 nan 0.000 0.271 617 P C -0.799 176.584 177.300 0.138 0.000 1.220 617 P CA -0.430 62.704 63.100 0.058 0.000 0.768 617 P CB 0.091 31.816 31.700 0.042 0.000 0.848 618 F N 3.745 123.680 119.950 -0.025 0.000 2.462 618 F HA 0.255 4.783 4.527 0.001 0.000 0.360 618 F C 0.622 176.414 175.800 -0.014 0.000 1.134 618 F CA -0.134 57.856 58.000 -0.016 0.000 1.148 618 F CB -0.464 38.529 39.000 -0.013 0.000 1.147 618 F HN 0.155 nan 8.300 nan 0.000 0.550 619 T N 0.000 114.803 114.554 0.415 0.000 3.816 619 T HA 0.000 4.351 4.350 0.001 0.000 0.228 619 T CA 0.000 62.190 62.100 0.150 0.000 1.349 619 T CB 0.000 68.930 68.868 0.103 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658