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 1rw9_1_A DATA FIRST_RESID 4 DATA SEQUENCE PGAAEFAALR NRWVDQITGR NVIQAGDPDF AKAITALNNK AADSLAKLDV DATA SEQUENCE KKGRTSVFTD LSLAKDAEMV TTYTRLSQLA TAWATPTAAV FGDAAVLAAI DATA SEQUENCE KAGLADANTL CYNDRKEEVG NWWSWEIGVP RALADAMVLL HAELSAAERT DATA SEQUENCE AYCAAIDHFV PDPWLQFPPK RGKITSVGAN RVDLCQGIII RSLAGEDPTK DATA SEQUENCE LNHAVAGLSQ VWQYVTSGDG IFRDGSFIQH STTPYTGSYG VVLLTGLSKL DATA SEQUENCE FSLLGGTAFE VSDPTRSIFF DAVEGSFAPV MINGAMADAV RGRSISREAN DATA SEQUENCE TGYDLGASAI EAILLLARAM DPATAARWRG LCAGWIARDT YRPILNSASV DATA SEQUENCE PRTALVKQLE ATGVAPVAEA TGHKLFPAMD RTMHRGPGWA LSLALSSNRI DATA SEQUENCE AWYECGNGEN NRGYHTGSGM TYFYTSDLGQ YDDAFWATAN YNRLPGITVD DATA SEQUENCE TTPLPDKVEG QWGAAVPADE WSGATALGEV AAVGQHLVGP GRTGLTARKS DATA SEQUENCE WFVSGDVTVC LGADISTASG AKVETIVDHR NLHQGSNTLT TAAGTIAGTA DATA SEQUENCE GTVEVLGDGR WVHLEGFGGY AMLDDSPLHV LRETRSGSWS GVNINGSATV DATA SEQUENCE QQRNFATLYV NHGVGPVAGS YAYMVAPGAS VDLTRKLLEG NKYSVIRNDA DATA SEQUENCE TAQSVEFKTA KTTAATFWKP GMAGDLGASG PACVVFSRHG NELSLAVSEP DATA SEQUENCE TQKAAGLTLT LPEGTWSSVL EGAGTLGTDA DGRSTLTLDT TGLSGKTKLI DATA SEQUENCE KLKR 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.359 177.300 0.099 0.000 1.155 4 P CA 0.000 63.060 63.100 -0.067 0.000 0.800 4 P CB 0.000 31.544 31.700 -0.259 0.000 0.726 5 G N -0.022 108.841 108.800 0.105 0.000 3.212 5 G HA2 0.576 4.536 3.960 0.001 0.000 0.188 5 G HA3 0.576 4.536 3.960 0.001 0.000 0.188 5 G C 0.751 175.819 174.900 0.279 0.000 1.254 5 G CA 0.023 45.256 45.100 0.221 0.000 0.957 5 G HN 0.507 nan 8.290 nan 0.000 0.596 6 A N -0.572 122.382 122.820 0.222 0.000 1.917 6 A HA 0.099 4.419 4.320 0.001 0.000 0.219 6 A C 2.654 180.341 177.584 0.173 0.000 1.182 6 A CA 3.065 55.228 52.037 0.209 0.000 0.633 6 A CB -0.983 18.098 19.000 0.134 0.000 0.819 6 A HN 1.360 nan 8.150 nan 0.000 0.448 7 A N -0.709 122.179 122.820 0.113 0.000 1.929 7 A HA -0.024 4.297 4.320 0.001 0.000 0.216 7 A C 1.885 179.505 177.584 0.059 0.000 1.176 7 A CA 1.777 53.860 52.037 0.077 0.000 0.628 7 A CB -0.392 18.638 19.000 0.051 0.000 0.816 7 A HN 0.470 nan 8.150 nan 0.000 0.444 8 E N -0.417 119.799 120.200 0.027 0.000 2.047 8 E HA -0.095 4.255 4.350 0.001 0.000 0.191 8 E C 1.542 178.097 176.600 -0.075 0.000 0.987 8 E CA 1.250 57.615 56.400 -0.057 0.000 0.799 8 E CB -0.488 29.119 29.700 -0.155 0.000 0.752 8 E HN 0.693 nan 8.360 nan 0.000 0.449 9 F N 0.532 120.533 119.950 0.086 0.000 2.134 9 F HA -0.162 4.365 4.527 0.001 0.000 0.299 9 F C 2.308 178.103 175.800 -0.008 0.000 1.097 9 F CA 0.944 58.970 58.000 0.043 0.000 1.264 9 F CB -0.325 38.691 39.000 0.026 0.000 1.001 9 F HN 0.050 nan 8.300 nan 0.000 0.479 10 A N -0.041 122.872 122.820 0.155 0.000 1.902 10 A HA -0.097 4.224 4.320 0.001 0.000 0.217 10 A C 2.346 179.973 177.584 0.072 0.000 1.181 10 A CA 1.662 53.743 52.037 0.073 0.000 0.623 10 A CB -1.218 17.828 19.000 0.077 0.000 0.818 10 A HN 0.317 nan 8.150 nan 0.000 0.443 11 A N -0.444 122.417 122.820 0.069 0.000 1.930 11 A HA 0.020 4.340 4.320 0.001 0.000 0.217 11 A C 2.165 179.800 177.584 0.084 0.000 1.175 11 A CA 1.388 53.464 52.037 0.065 0.000 0.627 11 A CB -0.543 18.484 19.000 0.046 0.000 0.815 11 A HN 0.453 nan 8.150 nan 0.000 0.443 12 L N -0.963 120.310 121.223 0.082 0.000 2.017 12 L HA -0.189 4.151 4.340 0.001 0.000 0.208 12 L C 2.895 179.854 176.870 0.147 0.000 1.073 12 L CA 1.448 56.352 54.840 0.106 0.000 0.745 12 L CB -0.398 41.705 42.059 0.073 0.000 0.894 12 L HN 0.347 nan 8.230 nan 0.000 0.432 13 R N -0.362 120.213 120.500 0.124 0.000 2.073 13 R HA -0.148 4.192 4.340 0.001 0.000 0.234 13 R C 2.113 178.526 176.300 0.187 0.000 1.134 13 R CA 1.430 57.613 56.100 0.139 0.000 0.952 13 R CB -0.471 29.839 30.300 0.015 0.000 0.850 13 R HN 0.422 nan 8.270 nan 0.000 0.433 14 N N 0.668 119.449 118.700 0.136 0.000 2.166 14 N HA -0.182 4.559 4.740 0.001 0.000 0.186 14 N C 1.759 177.354 175.510 0.142 0.000 1.019 14 N CA 0.997 54.124 53.050 0.130 0.000 0.856 14 N CB -0.189 38.356 38.487 0.096 0.000 0.993 14 N HN 0.248 nan 8.380 nan 0.000 0.426 15 R N -0.076 120.520 120.500 0.160 0.000 2.075 15 R HA -0.122 4.218 4.340 0.001 0.000 0.232 15 R C 2.265 178.708 176.300 0.237 0.000 1.126 15 R CA 0.959 57.161 56.100 0.171 0.000 0.963 15 R CB -0.330 30.073 30.300 0.171 0.000 0.858 15 R HN 0.396 nan 8.270 nan 0.000 0.435 16 W N 0.685 122.025 121.300 0.067 0.000 2.355 16 W HA -0.186 4.474 4.660 0.001 0.000 0.309 16 W C 1.568 178.131 176.519 0.075 0.000 1.206 16 W CA 1.290 58.677 57.345 0.071 0.000 1.284 16 W CB -0.079 29.424 29.460 0.071 0.000 1.145 16 W HN -0.030 nan 8.180 nan 0.000 0.502 17 V N 1.283 121.296 119.914 0.166 0.000 2.343 17 V HA -0.321 3.799 4.120 0.001 0.000 0.247 17 V C 2.016 178.105 176.094 -0.009 0.000 1.051 17 V CA 2.335 64.671 62.300 0.059 0.000 1.036 17 V CB -1.055 30.852 31.823 0.141 0.000 0.654 17 V HN 0.032 nan 8.190 nan 0.000 0.451 18 D N -0.433 119.981 120.400 0.024 0.000 2.104 18 D HA -0.235 4.405 4.640 0.001 0.000 0.194 18 D C 2.160 178.431 176.300 -0.050 0.000 0.994 18 D CA 1.647 55.647 54.000 -0.000 0.000 0.830 18 D CB -0.269 40.547 40.800 0.027 0.000 0.959 18 D HN 0.526 nan 8.370 nan 0.000 0.452 19 Q N 0.195 119.941 119.800 -0.090 0.000 2.050 19 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 19 Q C 2.391 178.244 176.000 -0.246 0.000 0.980 19 Q CA 1.215 56.923 55.803 -0.158 0.000 0.840 19 Q CB -0.036 28.575 28.738 -0.211 0.000 0.898 19 Q HN 0.491 nan 8.270 nan 0.000 0.424 20 I N -2.141 118.201 120.570 -0.379 0.000 3.419 20 I HA 0.025 4.195 4.170 0.001 0.000 0.286 20 I C 1.761 177.788 176.117 -0.151 0.000 1.268 20 I CA 1.204 62.300 61.300 -0.340 0.000 1.414 20 I CB -0.147 37.542 38.000 -0.517 0.000 1.074 20 I HN 0.087 nan 8.210 nan 0.000 0.457 21 T N -2.751 111.746 114.554 -0.094 0.000 3.023 21 T HA 0.338 4.688 4.350 0.001 0.000 0.249 21 T C 1.707 176.397 174.700 -0.015 0.000 1.050 21 T CA 0.558 62.641 62.100 -0.028 0.000 1.088 21 T CB 0.049 68.920 68.868 0.005 0.000 0.946 21 T HN 0.604 nan 8.240 nan 0.000 0.480 22 G N 3.065 111.852 108.800 -0.023 0.000 2.179 22 G HA2 -0.389 3.571 3.960 0.001 0.000 0.257 22 G HA3 -0.389 3.571 3.960 0.001 0.000 0.257 22 G C 0.975 175.849 174.900 -0.044 0.000 1.010 22 G CA 0.679 45.779 45.100 -0.000 0.000 0.736 22 G HN 0.860 nan 8.290 nan 0.000 0.513 23 R N 0.345 120.814 120.500 -0.052 0.000 2.152 23 R HA -0.105 4.235 4.340 0.001 0.000 0.232 23 R C 1.902 178.137 176.300 -0.108 0.000 1.117 23 R CA 1.674 57.720 56.100 -0.089 0.000 0.981 23 R CB -0.501 29.766 30.300 -0.055 0.000 0.870 23 R HN 0.524 nan 8.270 nan 0.000 0.451 24 N N 1.258 119.912 118.700 -0.076 0.000 2.336 24 N HA -0.052 4.688 4.740 0.001 0.000 0.189 24 N C 1.175 176.626 175.510 -0.097 0.000 1.113 24 N CA 0.908 53.914 53.050 -0.073 0.000 0.858 24 N CB 0.831 39.297 38.487 -0.034 0.000 0.970 24 N HN 0.363 nan 8.380 nan 0.000 0.471 25 V N -3.121 116.715 119.914 -0.130 0.000 3.276 25 V HA 0.472 4.592 4.120 0.001 0.000 0.319 25 V C 0.375 176.226 176.094 -0.405 0.000 1.476 25 V CA -0.736 61.473 62.300 -0.151 0.000 1.097 25 V CB -0.551 31.258 31.823 -0.022 0.000 0.988 25 V HN -0.082 nan 8.190 nan 0.000 0.473 26 I N 2.223 122.467 120.570 -0.543 0.000 2.533 26 I HA 0.204 4.374 4.170 0.001 0.000 0.284 26 I C 0.432 176.062 176.117 -0.813 0.000 1.109 26 I CA 0.620 61.298 61.300 -1.037 0.000 1.412 26 I CB 0.821 38.463 38.000 -0.596 0.000 1.396 26 I HN 0.349 nan 8.210 nan 0.000 0.543 27 Q N 5.641 124.821 119.800 -1.034 0.000 2.331 27 Q HA 0.508 4.849 4.340 0.001 0.000 0.257 27 Q C -0.135 175.748 176.000 -0.195 0.000 0.957 27 Q CA -0.793 54.803 55.803 -0.345 0.000 0.923 27 Q CB 1.669 30.367 28.738 -0.066 0.000 1.212 27 Q HN 0.789 nan 8.270 nan 0.000 0.443 28 A N 1.972 124.706 122.820 -0.143 0.000 2.546 28 A HA 0.389 4.709 4.320 0.001 0.000 0.243 28 A C 1.268 178.833 177.584 -0.032 0.000 1.063 28 A CA 0.803 52.787 52.037 -0.089 0.000 0.757 28 A CB -0.446 18.505 19.000 -0.081 0.000 0.991 28 A HN 1.052 nan 8.150 nan 0.000 0.503 29 G N 1.628 110.420 108.800 -0.013 0.000 2.162 29 G HA2 -0.240 3.720 3.960 0.001 0.000 0.260 29 G HA3 -0.240 3.720 3.960 0.001 0.000 0.260 29 G C 0.141 175.064 174.900 0.037 0.000 0.976 29 G CA 0.451 45.556 45.100 0.008 0.000 0.655 29 G HN 1.072 nan 8.290 nan 0.000 0.533 30 D N 0.874 121.322 120.400 0.079 0.000 2.351 30 D HA 0.268 4.909 4.640 0.001 0.000 0.251 30 D C -0.227 176.140 176.300 0.111 0.000 1.137 30 D CA -1.080 52.998 54.000 0.131 0.000 0.879 30 D CB 1.552 42.529 40.800 0.296 0.000 1.181 30 D HN 0.175 nan 8.370 nan 0.000 0.448 31 P HA -0.074 nan 4.420 nan 0.000 0.220 31 P C 0.597 177.901 177.300 0.007 0.000 1.152 31 P CA 0.694 63.810 63.100 0.027 0.000 0.812 31 P CB 0.600 32.304 31.700 0.007 0.000 0.792 32 D N -0.623 119.762 120.400 -0.026 0.000 2.149 32 D HA -0.057 4.583 4.640 0.001 0.000 0.201 32 D C 2.024 178.236 176.300 -0.147 0.000 0.972 32 D CA 0.858 54.788 54.000 -0.118 0.000 0.835 32 D CB -0.679 39.998 40.800 -0.206 0.000 0.966 32 D HN 0.183 nan 8.370 nan 0.000 0.476 33 F N 1.989 121.923 119.950 -0.027 0.000 2.126 33 F HA -0.170 4.357 4.527 0.001 0.000 0.299 33 F C 2.649 178.429 175.800 -0.033 0.000 1.096 33 F CA 1.066 59.047 58.000 -0.032 0.000 1.255 33 F CB -0.338 38.639 39.000 -0.038 0.000 0.997 33 F HN -0.080 nan 8.300 nan 0.000 0.479 34 A N -0.039 122.866 122.820 0.141 0.000 1.933 34 A HA -0.215 4.105 4.320 0.001 0.000 0.218 34 A C 2.151 179.757 177.584 0.037 0.000 1.175 34 A CA 1.734 53.814 52.037 0.070 0.000 0.628 34 A CB -0.587 18.439 19.000 0.043 0.000 0.814 34 A HN 0.336 nan 8.150 nan 0.000 0.444 35 K N -0.389 120.020 120.400 0.014 0.000 2.057 35 K HA -0.016 4.304 4.320 0.001 0.000 0.206 35 K C 2.315 178.910 176.600 -0.009 0.000 1.050 35 K CA 1.037 57.319 56.287 -0.009 0.000 0.935 35 K CB -0.312 32.170 32.500 -0.030 0.000 0.715 35 K HN 0.436 nan 8.250 nan 0.000 0.439 36 A N 1.548 124.362 122.820 -0.010 0.000 1.902 36 A HA -0.161 4.159 4.320 0.001 0.000 0.217 36 A C 2.047 179.646 177.584 0.025 0.000 1.181 36 A CA 1.264 53.299 52.037 -0.004 0.000 0.623 36 A CB -0.479 18.514 19.000 -0.011 0.000 0.818 36 A HN 0.126 nan 8.150 nan 0.000 0.443 37 I N -0.142 120.456 120.570 0.046 0.000 2.315 37 I HA -0.159 4.011 4.170 0.001 0.000 0.248 37 I C 2.437 178.569 176.117 0.024 0.000 1.117 37 I CA 1.836 63.158 61.300 0.037 0.000 1.404 37 I CB -1.721 36.300 38.000 0.036 0.000 1.071 37 I HN 0.252 nan 8.210 nan 0.000 0.419 38 T N 1.376 115.941 114.554 0.018 0.000 2.746 38 T HA -0.118 4.233 4.350 0.001 0.000 0.267 38 T C 2.062 176.767 174.700 0.008 0.000 1.039 38 T CA 1.567 63.674 62.100 0.012 0.000 1.142 38 T CB -0.195 68.676 68.868 0.006 0.000 0.866 38 T HN 0.460 nan 8.240 nan 0.000 0.444 39 A N 1.075 123.896 122.820 0.002 0.000 1.898 39 A HA 0.030 4.350 4.320 0.001 0.000 0.216 39 A C 2.239 179.825 177.584 0.003 0.000 1.181 39 A CA 1.216 53.251 52.037 -0.005 0.000 0.620 39 A CB -0.775 18.216 19.000 -0.015 0.000 0.819 39 A HN 0.431 nan 8.150 nan 0.000 0.442 40 L N 0.368 121.599 121.223 0.012 0.000 2.017 40 L HA -0.196 4.145 4.340 0.001 0.000 0.208 40 L C 1.889 178.778 176.870 0.031 0.000 1.073 40 L CA 2.334 57.188 54.840 0.023 0.000 0.745 40 L CB -0.618 41.461 42.059 0.033 0.000 0.894 40 L HN 0.320 nan 8.230 nan 0.000 0.432 41 N N 0.193 118.912 118.700 0.032 0.000 2.120 41 N HA -0.167 4.573 4.740 0.001 0.000 0.188 41 N C 1.596 177.123 175.510 0.028 0.000 1.024 41 N CA 1.466 54.538 53.050 0.037 0.000 0.852 41 N CB -0.645 37.862 38.487 0.033 0.000 1.003 41 N HN 0.439 nan 8.380 nan 0.000 0.424 42 N N 0.873 119.582 118.700 0.016 0.000 2.188 42 N HA -0.129 4.612 4.740 0.001 0.000 0.184 42 N C 1.672 177.184 175.510 0.004 0.000 1.018 42 N CA 0.821 53.877 53.050 0.009 0.000 0.858 42 N CB -0.228 38.259 38.487 0.001 0.000 0.989 42 N HN 0.214 nan 8.380 nan 0.000 0.426 43 K N 1.463 121.863 120.400 0.000 0.000 2.057 43 K HA 0.092 4.412 4.320 0.001 0.000 0.206 43 K C 1.789 178.388 176.600 -0.003 0.000 1.050 43 K CA 1.304 57.584 56.287 -0.012 0.000 0.935 43 K CB -0.646 31.844 32.500 -0.016 0.000 0.715 43 K HN 0.078 nan 8.250 nan 0.000 0.439 44 A N 0.634 123.467 122.820 0.022 0.000 1.877 44 A HA -0.065 4.256 4.320 0.001 0.000 0.216 44 A C 2.405 180.017 177.584 0.047 0.000 1.186 44 A CA 2.204 54.267 52.037 0.044 0.000 0.620 44 A CB -1.178 17.864 19.000 0.069 0.000 0.822 44 A HN 0.434 nan 8.150 nan 0.000 0.443 45 A N -0.206 122.637 122.820 0.039 0.000 1.902 45 A HA -0.201 4.119 4.320 0.001 0.000 0.217 45 A C 1.822 179.425 177.584 0.032 0.000 1.181 45 A CA 2.197 54.258 52.037 0.039 0.000 0.623 45 A CB -0.755 18.264 19.000 0.032 0.000 0.818 45 A HN 0.585 nan 8.150 nan 0.000 0.443 46 D N -0.620 119.788 120.400 0.014 0.000 2.097 46 D HA -0.112 4.528 4.640 0.001 0.000 0.195 46 D C 2.138 178.438 176.300 -0.001 0.000 0.989 46 D CA 1.753 55.752 54.000 -0.001 0.000 0.827 46 D CB -0.015 40.770 40.800 -0.024 0.000 0.966 46 D HN 0.340 nan 8.370 nan 0.000 0.456 47 S N -0.536 115.154 115.700 -0.016 0.000 2.356 47 S HA -0.109 4.361 4.470 0.001 0.000 0.223 47 S C 2.071 176.789 174.600 0.197 0.000 1.032 47 S CA 0.712 58.905 58.200 -0.011 0.000 1.005 47 S CB -0.349 62.815 63.200 -0.059 0.000 0.867 47 S HN 0.300 nan 8.310 nan 0.000 0.449 48 L N 1.130 122.442 121.223 0.147 0.000 2.083 48 L HA -0.122 4.218 4.340 0.001 0.000 0.209 48 L C 2.660 179.595 176.870 0.108 0.000 1.083 48 L CA 1.114 56.035 54.840 0.136 0.000 0.752 48 L CB -0.604 41.507 42.059 0.087 0.000 0.899 48 L HN 0.321 nan 8.230 nan 0.000 0.433 49 A N -0.213 122.659 122.820 0.086 0.000 2.067 49 A HA -0.152 4.169 4.320 0.001 0.000 0.219 49 A C 2.093 179.726 177.584 0.082 0.000 1.158 49 A CA 1.283 53.358 52.037 0.065 0.000 0.661 49 A CB -0.223 18.803 19.000 0.043 0.000 0.801 49 A HN 0.364 nan 8.150 nan 0.000 0.452 50 K N -0.531 119.952 120.400 0.138 0.000 2.374 50 K HA 0.316 4.637 4.320 0.001 0.000 0.196 50 K C -0.268 176.489 176.600 0.262 0.000 1.023 50 K CA -0.304 56.095 56.287 0.187 0.000 1.103 50 K CB 0.156 32.755 32.500 0.165 0.000 0.848 50 K HN 0.362 nan 8.250 nan 0.000 0.528 51 L N 2.480 123.805 121.223 0.171 0.000 2.499 51 L HA -0.019 4.321 4.340 0.001 0.000 0.273 51 L C 0.339 177.175 176.870 -0.056 0.000 1.195 51 L CA 0.046 54.860 54.840 -0.043 0.000 0.882 51 L CB 0.218 42.224 42.059 -0.088 0.000 1.133 51 L HN 0.144 nan 8.230 nan 0.000 0.483 52 D N 3.510 123.833 120.400 -0.128 0.000 2.339 52 D HA 0.166 4.807 4.640 0.001 0.000 0.256 52 D C 0.564 176.811 176.300 -0.089 0.000 1.214 52 D CA -0.013 53.938 54.000 -0.082 0.000 0.877 52 D CB 1.810 42.556 40.800 -0.090 0.000 1.111 52 D HN 0.414 nan 8.370 nan 0.000 0.478 53 V N 2.287 122.170 119.914 -0.052 0.000 3.650 53 V HA 0.135 4.255 4.120 0.001 0.000 0.271 53 V C 1.416 177.489 176.094 -0.036 0.000 1.281 53 V CA 0.913 63.186 62.300 -0.045 0.000 1.120 53 V CB -1.127 30.680 31.823 -0.027 0.000 0.856 53 V HN 0.587 nan 8.190 nan 0.000 0.443 54 K N 1.146 121.527 120.400 -0.032 0.000 2.448 54 K HA 0.583 4.903 4.320 0.001 0.000 0.278 54 K C 0.555 177.141 176.600 -0.024 0.000 1.009 54 K CA 0.248 56.522 56.287 -0.022 0.000 0.995 54 K CB -0.890 31.601 32.500 -0.016 0.000 0.917 54 K HN 1.260 nan 8.250 nan 0.000 0.481 55 K N 0.583 120.973 120.400 -0.017 0.000 2.485 55 K HA 0.468 4.789 4.320 0.001 0.000 0.277 55 K C 1.448 178.040 176.600 -0.014 0.000 0.990 55 K CA 0.298 56.576 56.287 -0.015 0.000 0.994 55 K CB -0.578 31.916 32.500 -0.011 0.000 0.906 55 K HN 2.379 nan 8.250 nan 0.000 0.488 56 G N 1.661 110.453 108.800 -0.014 0.000 2.323 56 G HA2 -0.314 3.646 3.960 0.001 0.000 0.292 56 G HA3 -0.314 3.646 3.960 0.001 0.000 0.292 56 G C 0.304 175.198 174.900 -0.011 0.000 1.040 56 G CA 0.625 45.719 45.100 -0.010 0.000 0.942 56 G HN 1.350 nan 8.290 nan 0.000 0.506 57 R N -1.182 119.306 120.500 -0.021 0.000 2.679 57 R HA 0.449 4.790 4.340 0.001 0.000 0.268 57 R C 1.171 177.460 176.300 -0.018 0.000 1.044 57 R CA 0.515 56.599 56.100 -0.026 0.000 1.105 57 R CB 0.219 30.490 30.300 -0.049 0.000 0.989 57 R HN 0.474 nan 8.270 nan 0.000 0.447 58 T N -2.347 112.201 114.554 -0.010 0.000 3.044 58 T HA 0.127 4.477 4.350 0.001 0.000 0.260 58 T C 0.353 175.054 174.700 0.002 0.000 1.019 58 T CA 0.034 62.136 62.100 0.004 0.000 0.921 58 T CB 0.098 68.975 68.868 0.016 0.000 1.053 58 T HN 0.678 nan 8.240 nan 0.000 0.533 59 S N -0.521 115.168 115.700 -0.018 0.000 2.627 59 S HA 0.669 5.140 4.470 0.001 0.000 0.283 59 S C 0.600 175.141 174.600 -0.098 0.000 1.127 59 S CA -0.595 57.587 58.200 -0.031 0.000 0.863 59 S CB 1.792 64.994 63.200 0.002 0.000 1.121 59 S HN -0.095 nan 8.310 nan 0.000 0.479 60 V N -0.269 119.549 119.914 -0.159 0.000 2.500 60 V HA 0.300 4.420 4.120 0.001 0.000 0.243 60 V C -0.251 175.501 176.094 -0.570 0.000 1.039 60 V CA 0.887 62.955 62.300 -0.387 0.000 1.053 60 V CB -0.679 30.842 31.823 -0.504 0.000 0.695 60 V HN 0.746 nan 8.190 nan 0.000 0.463 61 F N 0.280 120.194 119.950 -0.061 0.000 2.469 61 F HA 0.346 4.873 4.527 0.001 0.000 0.332 61 F C 1.590 177.372 175.800 -0.030 0.000 1.103 61 F CA -0.197 57.775 58.000 -0.046 0.000 0.979 61 F CB 1.565 40.535 39.000 -0.050 0.000 1.137 61 F HN -0.066 nan 8.300 nan 0.000 0.463 62 T N -3.231 111.408 114.554 0.141 0.000 2.977 62 T HA -0.170 4.181 4.350 0.001 0.000 0.271 62 T C 0.785 175.531 174.700 0.076 0.000 1.105 62 T CA 1.472 63.618 62.100 0.077 0.000 1.116 62 T CB -0.325 68.577 68.868 0.056 0.000 0.878 62 T HN 0.646 nan 8.240 nan 0.000 0.509 63 D N 0.445 120.903 120.400 0.097 0.000 2.440 63 D HA 0.177 4.817 4.640 0.001 0.000 0.216 63 D C 0.089 176.419 176.300 0.050 0.000 1.150 63 D CA -0.385 53.648 54.000 0.056 0.000 0.832 63 D CB -0.202 40.617 40.800 0.031 0.000 0.992 63 D HN 0.412 nan 8.370 nan 0.000 0.502 64 L N 0.756 122.029 121.223 0.084 0.000 2.404 64 L HA 0.297 4.637 4.340 0.001 0.000 0.272 64 L C -0.289 176.621 176.870 0.066 0.000 0.980 64 L CA -0.818 54.064 54.840 0.069 0.000 0.836 64 L CB 2.205 44.319 42.059 0.092 0.000 1.238 64 L HN -0.127 nan 8.230 nan 0.000 0.408 65 S N 2.949 118.678 115.700 0.047 0.000 2.489 65 S HA 0.380 4.850 4.470 0.001 0.000 0.277 65 S C 1.094 175.724 174.600 0.049 0.000 1.230 65 S CA -0.629 57.599 58.200 0.048 0.000 1.053 65 S CB 0.707 63.935 63.200 0.047 0.000 0.955 65 S HN 0.618 nan 8.310 nan 0.000 0.488 66 L N 4.165 125.421 121.223 0.055 0.000 2.549 66 L HA 0.031 4.371 4.340 0.001 0.000 0.229 66 L C 2.304 179.234 176.870 0.100 0.000 1.158 66 L CA 0.835 55.716 54.840 0.068 0.000 0.842 66 L CB -0.543 41.563 42.059 0.078 0.000 0.952 66 L HN 0.807 nan 8.230 nan 0.000 0.452 67 A N -0.418 122.459 122.820 0.096 0.000 2.275 67 A HA 0.082 4.402 4.320 0.001 0.000 0.212 67 A C 0.729 178.384 177.584 0.118 0.000 1.201 67 A CA 0.166 52.276 52.037 0.122 0.000 0.843 67 A CB -0.023 19.038 19.000 0.101 0.000 0.873 67 A HN 0.207 nan 8.150 nan 0.000 0.492 68 K N 0.634 121.083 120.400 0.082 0.000 2.394 68 K HA 0.249 4.569 4.320 0.001 0.000 0.260 68 K C -0.327 176.289 176.600 0.026 0.000 0.967 68 K CA 0.040 56.368 56.287 0.068 0.000 0.855 68 K CB 1.501 34.029 32.500 0.047 0.000 1.101 68 K HN 0.379 nan 8.250 nan 0.000 0.433 69 D N 2.359 122.777 120.400 0.029 0.000 2.178 69 D HA -0.222 4.419 4.640 0.001 0.000 0.201 69 D C 1.478 177.693 176.300 -0.141 0.000 0.980 69 D CA 1.185 55.108 54.000 -0.128 0.000 0.842 69 D CB 0.124 40.872 40.800 -0.086 0.000 0.948 69 D HN 0.449 nan 8.370 nan 0.000 0.472 70 A N 0.486 123.278 122.820 -0.047 0.000 1.969 70 A HA -0.149 4.171 4.320 0.001 0.000 0.218 70 A C 2.110 179.672 177.584 -0.037 0.000 1.169 70 A CA 1.260 53.278 52.037 -0.033 0.000 0.635 70 A CB -0.486 18.508 19.000 -0.011 0.000 0.810 70 A HN 0.287 nan 8.150 nan 0.000 0.445 71 E N -0.896 119.288 120.200 -0.028 0.000 2.216 71 E HA -0.096 4.254 4.350 0.001 0.000 0.192 71 E C 1.967 178.556 176.600 -0.018 0.000 0.988 71 E CA 0.841 57.231 56.400 -0.017 0.000 0.834 71 E CB -0.220 29.483 29.700 0.004 0.000 0.772 71 E HN 0.754 nan 8.360 nan 0.000 0.479 72 M N 0.912 120.484 119.600 -0.046 0.000 2.086 72 M HA -0.173 4.308 4.480 0.001 0.000 0.261 72 M C 2.144 178.430 176.300 -0.023 0.000 1.067 72 M CA 1.414 56.684 55.300 -0.050 0.000 1.116 72 M CB 0.009 32.508 32.600 -0.169 0.000 1.348 72 M HN -0.020 nan 8.290 nan 0.000 0.407 73 V N 0.683 120.537 119.914 -0.100 0.000 2.255 73 V HA -0.298 3.822 4.120 0.001 0.000 0.247 73 V C 2.329 178.420 176.094 -0.005 0.000 1.051 73 V CA 2.519 64.777 62.300 -0.070 0.000 1.018 73 V CB -1.382 30.412 31.823 -0.048 0.000 0.641 73 V HN 0.592 nan 8.190 nan 0.000 0.445 74 T N -0.724 113.815 114.554 -0.025 0.000 2.833 74 T HA -0.196 4.155 4.350 0.001 0.000 0.269 74 T C 1.918 176.572 174.700 -0.077 0.000 1.054 74 T CA 1.891 63.957 62.100 -0.056 0.000 1.135 74 T CB -0.421 68.400 68.868 -0.079 0.000 0.869 74 T HN 0.565 nan 8.240 nan 0.000 0.466 75 T N 1.077 115.618 114.554 -0.022 0.000 2.635 75 T HA -0.139 4.211 4.350 0.001 0.000 0.267 75 T C 1.623 176.309 174.700 -0.023 0.000 1.040 75 T CA 1.452 63.581 62.100 0.049 0.000 1.156 75 T CB -0.553 68.326 68.868 0.019 0.000 0.863 75 T HN 0.472 nan 8.240 nan 0.000 0.430 76 Y N 1.520 121.789 120.300 -0.051 0.000 2.200 76 Y HA -0.144 4.406 4.550 0.001 0.000 0.290 76 Y C 3.115 178.975 175.900 -0.067 0.000 1.137 76 Y CA 1.449 59.493 58.100 -0.094 0.000 1.163 76 Y CB -0.741 37.590 38.460 -0.215 0.000 0.988 76 Y HN 0.357 nan 8.280 nan 0.000 0.518 77 T N -1.919 112.671 114.554 0.060 0.000 2.904 77 T HA -0.111 4.240 4.350 0.001 0.000 0.267 77 T C 1.825 176.519 174.700 -0.011 0.000 1.059 77 T CA 0.932 63.044 62.100 0.020 0.000 1.137 77 T CB -0.226 68.642 68.868 -0.000 0.000 0.879 77 T HN 0.250 nan 8.240 nan 0.000 0.467 78 R N 0.603 121.063 120.500 -0.067 0.000 2.092 78 R HA 0.173 4.513 4.340 0.001 0.000 0.231 78 R C 2.505 178.824 176.300 0.031 0.000 1.119 78 R CA 1.136 57.170 56.100 -0.110 0.000 0.970 78 R CB -0.582 29.445 30.300 -0.456 0.000 0.864 78 R HN 0.388 nan 8.270 nan 0.000 0.440 79 L N 0.477 121.751 121.223 0.085 0.000 2.056 79 L HA -0.156 4.185 4.340 0.001 0.000 0.207 79 L C 2.640 179.548 176.870 0.064 0.000 1.078 79 L CA 1.478 56.366 54.840 0.080 0.000 0.749 79 L CB -0.482 41.575 42.059 -0.003 0.000 0.901 79 L HN 0.282 nan 8.230 nan 0.000 0.433 80 S N -1.213 114.528 115.700 0.069 0.000 2.402 80 S HA -0.229 4.241 4.470 0.001 0.000 0.229 80 S C 1.968 176.615 174.600 0.079 0.000 1.021 80 S CA 0.719 58.969 58.200 0.082 0.000 0.974 80 S CB -0.343 62.911 63.200 0.090 0.000 0.800 80 S HN 0.391 nan 8.310 nan 0.000 0.484 81 Q N 1.323 121.157 119.800 0.056 0.000 2.084 81 Q HA -0.013 4.327 4.340 0.001 0.000 0.202 81 Q C 2.208 178.257 176.000 0.083 0.000 0.978 81 Q CA 1.462 57.297 55.803 0.052 0.000 0.844 81 Q CB -0.435 28.313 28.738 0.018 0.000 0.898 81 Q HN 0.663 nan 8.270 nan 0.000 0.426 82 L N 0.164 121.440 121.223 0.088 0.000 2.046 82 L HA -0.167 4.174 4.340 0.001 0.000 0.208 82 L C 2.567 179.535 176.870 0.162 0.000 1.077 82 L CA 1.116 56.026 54.840 0.116 0.000 0.747 82 L CB -0.586 41.536 42.059 0.104 0.000 0.896 82 L HN 0.182 nan 8.230 nan 0.000 0.432 83 A N -0.643 122.259 122.820 0.137 0.000 1.933 83 A HA -0.195 4.126 4.320 0.001 0.000 0.218 83 A C 2.338 180.100 177.584 0.297 0.000 1.175 83 A CA 2.244 54.397 52.037 0.193 0.000 0.628 83 A CB -0.830 18.242 19.000 0.120 0.000 0.814 83 A HN 0.388 nan 8.150 nan 0.000 0.444 84 T N 0.310 114.983 114.554 0.198 0.000 2.708 84 T HA -0.039 4.312 4.350 0.001 0.000 0.266 84 T C 2.254 177.065 174.700 0.185 0.000 1.037 84 T CA 1.657 63.857 62.100 0.166 0.000 1.146 84 T CB -0.470 68.454 68.868 0.093 0.000 0.865 84 T HN 0.603 nan 8.240 nan 0.000 0.435 85 A N 0.530 123.459 122.820 0.182 0.000 1.902 85 A HA -0.123 4.197 4.320 0.001 0.000 0.217 85 A C 2.061 179.797 177.584 0.253 0.000 1.181 85 A CA 1.647 53.793 52.037 0.181 0.000 0.623 85 A CB -1.268 17.823 19.000 0.152 0.000 0.818 85 A HN 0.739 nan 8.150 nan 0.000 0.443 86 W N 0.642 122.001 121.300 0.099 0.000 2.364 86 W HA -0.083 4.577 4.660 0.001 0.000 0.281 86 W C 1.942 178.525 176.519 0.107 0.000 1.219 86 W CA 1.879 59.266 57.345 0.070 0.000 1.220 86 W CB 0.081 29.551 29.460 0.017 0.000 1.127 86 W HN 0.318 nan 8.180 nan 0.000 0.556 87 A N -0.703 122.222 122.820 0.175 0.000 2.308 87 A HA 0.222 4.542 4.320 0.001 0.000 0.217 87 A C 0.561 178.283 177.584 0.229 0.000 1.216 87 A CA 0.595 52.675 52.037 0.071 0.000 0.864 87 A CB -0.457 18.674 19.000 0.218 0.000 0.902 87 A HN 0.025 nan 8.150 nan 0.000 0.499 88 T N 3.161 117.858 114.554 0.240 0.000 2.753 88 T HA 0.426 4.777 4.350 0.001 0.000 0.297 88 T C -2.842 171.702 174.700 -0.260 0.000 0.981 88 T CA -1.172 60.947 62.100 0.032 0.000 0.956 88 T CB 1.193 70.078 68.868 0.029 0.000 0.936 88 T HN 0.033 nan 8.240 nan 0.000 0.463 89 P HA 0.030 nan 4.420 nan 0.000 0.264 89 P C 1.031 177.986 177.300 -0.576 0.000 1.183 89 P CA 0.807 63.199 63.100 -1.180 0.000 0.763 89 P CB 0.278 31.513 31.700 -0.774 0.000 0.807 90 T N -1.231 113.023 114.554 -0.500 0.000 7.679 90 T HA -0.280 4.070 4.350 0.001 0.000 0.300 90 T C 0.462 175.117 174.700 -0.076 0.000 2.098 90 T CA 0.736 62.716 62.100 -0.200 0.000 3.313 90 T CB -2.359 66.416 68.868 -0.155 0.000 1.898 90 T HN 0.667 nan 8.240 nan 0.000 1.144 91 A N 1.027 123.820 122.820 -0.044 0.000 2.466 91 A HA 0.822 5.142 4.320 0.001 0.000 0.238 91 A C 1.981 179.619 177.584 0.090 0.000 1.074 91 A CA 0.812 52.876 52.037 0.045 0.000 0.774 91 A CB -0.093 18.960 19.000 0.089 0.000 1.015 91 A HN 1.631 nan 8.150 nan 0.000 0.498 92 A N 1.257 124.123 122.820 0.076 0.000 1.917 92 A HA -0.077 4.243 4.320 0.001 0.000 0.219 92 A C 1.741 179.389 177.584 0.106 0.000 1.182 92 A CA 2.360 54.443 52.037 0.078 0.000 0.633 92 A CB -1.021 18.016 19.000 0.061 0.000 0.819 92 A HN 1.933 nan 8.150 nan 0.000 0.448 93 V N -3.930 116.062 119.914 0.130 0.000 3.514 93 V HA 0.347 4.467 4.120 0.001 0.000 0.301 93 V C 0.693 176.880 176.094 0.155 0.000 1.346 93 V CA -0.571 61.820 62.300 0.151 0.000 1.156 93 V CB -1.520 30.404 31.823 0.169 0.000 1.029 93 V HN 0.324 nan 8.190 nan 0.000 0.428 94 F N 3.349 123.282 119.950 -0.029 0.000 2.590 94 F HA 0.488 5.016 4.527 0.001 0.000 0.389 94 F C 1.474 177.130 175.800 -0.241 0.000 1.049 94 F CA 0.888 58.786 58.000 -0.171 0.000 1.199 94 F CB 0.015 38.923 39.000 -0.154 0.000 1.058 94 F HN 0.478 nan 8.300 nan 0.000 0.556 95 G N 4.152 112.156 108.800 -1.326 0.000 2.187 95 G HA2 -0.329 3.631 3.960 0.001 0.000 0.261 95 G HA3 -0.329 3.631 3.960 0.001 0.000 0.261 95 G C 0.086 174.894 174.900 -0.153 0.000 1.000 95 G CA 0.332 44.848 45.100 -0.973 0.000 0.718 95 G HN 0.916 nan 8.290 nan 0.000 0.519 96 D N 0.431 120.887 120.400 0.093 0.000 2.338 96 D HA 0.521 5.161 4.640 0.001 0.000 0.255 96 D C 1.535 177.976 176.300 0.235 0.000 1.237 96 D CA 0.399 54.497 54.000 0.164 0.000 0.883 96 D CB 0.900 41.788 40.800 0.147 0.000 1.087 96 D HN 0.284 nan 8.370 nan 0.000 0.485 97 A N 4.100 127.009 122.820 0.147 0.000 1.969 97 A HA -0.054 4.267 4.320 0.001 0.000 0.218 97 A C 2.079 179.691 177.584 0.046 0.000 1.169 97 A CA 1.601 53.703 52.037 0.108 0.000 0.635 97 A CB -0.247 18.794 19.000 0.068 0.000 0.810 97 A HN 0.653 nan 8.150 nan 0.000 0.445 98 A N -0.530 122.317 122.820 0.046 0.000 1.898 98 A HA 0.039 4.360 4.320 0.001 0.000 0.216 98 A C 2.207 179.795 177.584 0.008 0.000 1.181 98 A CA 1.661 53.710 52.037 0.019 0.000 0.620 98 A CB -0.833 18.181 19.000 0.023 0.000 0.819 98 A HN 0.347 nan 8.150 nan 0.000 0.442 99 V N -0.119 119.819 119.914 0.041 0.000 2.295 99 V HA -0.232 3.889 4.120 0.001 0.000 0.246 99 V C 2.489 178.550 176.094 -0.056 0.000 1.049 99 V CA 1.921 64.241 62.300 0.034 0.000 1.024 99 V CB -0.856 31.035 31.823 0.113 0.000 0.648 99 V HN 0.599 nan 8.190 nan 0.000 0.447 100 L N 1.142 122.288 121.223 -0.128 0.000 1.990 100 L HA -0.189 4.151 4.340 0.001 0.000 0.213 100 L C 2.472 179.200 176.870 -0.237 0.000 1.072 100 L CA 2.597 57.203 54.840 -0.390 0.000 0.755 100 L CB -1.065 40.702 42.059 -0.487 0.000 0.889 100 L HN 0.237 nan 8.230 nan 0.000 0.432 101 A N -0.581 122.159 122.820 -0.133 0.000 1.908 101 A HA -0.157 4.163 4.320 0.001 0.000 0.218 101 A C 2.459 179.986 177.584 -0.096 0.000 1.181 101 A CA 2.147 54.125 52.037 -0.098 0.000 0.627 101 A CB -1.270 17.695 19.000 -0.058 0.000 0.818 101 A HN 0.641 nan 8.150 nan 0.000 0.445 102 A N -0.099 122.669 122.820 -0.087 0.000 1.902 102 A HA -0.085 4.236 4.320 0.001 0.000 0.217 102 A C 2.121 179.635 177.584 -0.117 0.000 1.181 102 A CA 1.531 53.512 52.037 -0.093 0.000 0.623 102 A CB -0.615 18.343 19.000 -0.069 0.000 0.818 102 A HN 0.518 nan 8.150 nan 0.000 0.443 103 I N -0.498 120.001 120.570 -0.118 0.000 2.179 103 I HA -0.296 3.875 4.170 0.001 0.000 0.242 103 I C 2.483 178.526 176.117 -0.122 0.000 1.088 103 I CA 1.776 63.005 61.300 -0.119 0.000 1.357 103 I CB -0.330 37.584 38.000 -0.144 0.000 1.051 103 I HN 0.279 nan 8.210 nan 0.000 0.409 104 K N 0.924 121.250 120.400 -0.124 0.000 2.057 104 K HA -0.136 4.185 4.320 0.001 0.000 0.207 104 K C 2.247 178.820 176.600 -0.046 0.000 1.049 104 K CA 1.570 57.815 56.287 -0.070 0.000 0.931 104 K CB -0.305 32.148 32.500 -0.079 0.000 0.714 104 K HN 0.321 nan 8.250 nan 0.000 0.440 105 A N 1.100 123.876 122.820 -0.074 0.000 1.969 105 A HA -0.046 4.274 4.320 0.001 0.000 0.218 105 A C 2.364 179.884 177.584 -0.106 0.000 1.169 105 A CA 1.708 53.703 52.037 -0.070 0.000 0.635 105 A CB -0.964 17.988 19.000 -0.079 0.000 0.810 105 A HN 0.424 nan 8.150 nan 0.000 0.445 106 G N -0.010 108.693 108.800 -0.161 0.000 2.404 106 G HA2 -0.144 3.816 3.960 0.001 0.000 0.215 106 G HA3 -0.144 3.816 3.960 0.001 0.000 0.215 106 G C 1.540 176.299 174.900 -0.235 0.000 1.174 106 G CA 1.004 45.961 45.100 -0.238 0.000 0.780 106 G HN 0.425 nan 8.290 nan 0.000 0.537 107 L N 0.684 121.793 121.223 -0.191 0.000 2.046 107 L HA -0.044 4.297 4.340 0.001 0.000 0.208 107 L C 3.414 180.214 176.870 -0.118 0.000 1.077 107 L CA 1.004 55.702 54.840 -0.238 0.000 0.747 107 L CB -0.406 41.529 42.059 -0.206 0.000 0.896 107 L HN 0.307 nan 8.230 nan 0.000 0.432 108 A N -0.049 122.805 122.820 0.057 0.000 1.877 108 A HA -0.224 4.096 4.320 0.001 0.000 0.216 108 A C 1.935 179.572 177.584 0.088 0.000 1.186 108 A CA 2.059 54.201 52.037 0.174 0.000 0.620 108 A CB -0.506 18.566 19.000 0.121 0.000 0.822 108 A HN 0.340 nan 8.150 nan 0.000 0.443 109 D N -0.138 120.263 120.400 0.003 0.000 2.123 109 D HA 0.043 4.683 4.640 0.001 0.000 0.200 109 D C 2.211 178.512 176.300 0.001 0.000 0.976 109 D CA 1.402 55.398 54.000 -0.007 0.000 0.831 109 D CB -0.457 40.309 40.800 -0.056 0.000 0.974 109 D HN 0.397 nan 8.370 nan 0.000 0.469 110 A N 0.958 123.739 122.820 -0.064 0.000 1.972 110 A HA -0.225 4.096 4.320 0.001 0.000 0.219 110 A C 1.957 179.644 177.584 0.171 0.000 1.169 110 A CA 1.568 53.587 52.037 -0.029 0.000 0.635 110 A CB -0.791 18.011 19.000 -0.331 0.000 0.810 110 A HN 0.310 nan 8.150 nan 0.000 0.446 111 N N -0.818 117.994 118.700 0.186 0.000 2.058 111 N HA -0.158 4.583 4.740 0.001 0.000 0.191 111 N C 1.689 177.334 175.510 0.225 0.000 1.037 111 N CA 2.006 55.229 53.050 0.289 0.000 0.848 111 N CB -0.197 38.504 38.487 0.357 0.000 1.021 111 N HN 0.378 nan 8.380 nan 0.000 0.422 112 T N 1.803 116.453 114.554 0.161 0.000 2.652 112 T HA -0.099 4.251 4.350 0.001 0.000 0.267 112 T C 1.990 176.754 174.700 0.108 0.000 1.039 112 T CA 1.192 63.360 62.100 0.113 0.000 1.153 112 T CB -0.234 68.679 68.868 0.075 0.000 0.863 112 T HN 0.203 nan 8.240 nan 0.000 0.428 113 L N -0.823 120.465 121.223 0.108 0.000 2.240 113 L HA 0.078 4.418 4.340 0.001 0.000 0.211 113 L C 2.453 179.413 176.870 0.150 0.000 1.106 113 L CA 0.641 55.543 54.840 0.103 0.000 0.793 113 L CB -0.130 41.974 42.059 0.074 0.000 0.927 113 L HN 0.484 nan 8.230 nan 0.000 0.446 114 C N -2.772 116.656 119.300 0.213 0.000 3.246 114 C HA 0.121 4.581 4.460 0.001 0.000 0.356 114 C C 0.221 175.463 174.990 0.419 0.000 2.005 114 C CA -0.544 58.656 59.018 0.304 0.000 1.822 114 C CB -0.128 27.784 27.740 0.287 0.000 2.052 114 C HN 0.304 nan 8.230 nan 0.000 0.597 115 Y N 4.788 125.287 120.300 0.331 0.000 2.691 115 Y HA 0.530 5.080 4.550 0.001 0.000 0.338 115 Y C -0.069 176.064 175.900 0.389 0.000 1.148 115 Y CA 0.331 58.679 58.100 0.413 0.000 1.430 115 Y CB -0.502 38.115 38.460 0.262 0.000 1.303 115 Y HN 0.732 nan 8.280 nan 0.000 0.499 116 N N 0.047 118.863 118.700 0.194 0.000 2.774 116 N HA 0.181 4.922 4.740 0.001 0.000 0.264 116 N C -0.308 175.102 175.510 -0.167 0.000 1.415 116 N CA -0.667 52.428 53.050 0.076 0.000 0.815 116 N CB 0.465 39.002 38.487 0.084 0.000 1.514 116 N HN 0.177 nan 8.380 nan 0.000 0.523 117 D N -0.928 119.309 120.400 -0.271 0.000 2.378 117 D HA -0.052 4.588 4.640 0.001 0.000 0.227 117 D C 0.391 176.131 176.300 -0.933 0.000 1.012 117 D CA 0.567 54.178 54.000 -0.649 0.000 0.905 117 D CB -0.062 40.545 40.800 -0.321 0.000 0.895 117 D HN 0.589 nan 8.370 nan 0.000 0.532 118 R N -0.842 119.335 120.500 -0.537 0.000 2.397 118 R HA 0.164 4.504 4.340 0.001 0.000 0.241 118 R C 0.215 176.359 176.300 -0.259 0.000 0.914 118 R CA -0.458 55.417 56.100 -0.375 0.000 1.071 118 R CB 0.453 30.646 30.300 -0.179 0.000 1.116 118 R HN -0.107 nan 8.270 nan 0.000 0.524 119 K N 2.327 122.585 120.400 -0.237 0.000 2.201 119 K HA 0.088 4.408 4.320 0.001 0.000 0.278 119 K C -0.595 176.053 176.600 0.080 0.000 1.027 119 K CA -0.342 55.953 56.287 0.013 0.000 0.909 119 K CB 1.053 33.685 32.500 0.220 0.000 1.062 119 K HN -0.070 nan 8.250 nan 0.000 0.465 120 E N 3.011 123.210 120.200 -0.001 0.000 2.354 120 E HA 0.025 4.375 4.350 0.001 0.000 0.269 120 E C -0.761 175.662 176.600 -0.294 0.000 1.036 120 E CA -0.293 56.069 56.400 -0.064 0.000 0.876 120 E CB 0.611 30.273 29.700 -0.064 0.000 1.009 120 E HN 0.603 nan 8.360 nan 0.000 0.416 121 E N 1.692 121.648 120.200 -0.407 0.000 2.414 121 E HA 0.082 4.432 4.350 0.001 0.000 0.263 121 E C -0.871 175.401 176.600 -0.546 0.000 1.000 121 E CA 0.025 55.808 56.400 -1.028 0.000 0.914 121 E CB 1.173 30.448 29.700 -0.709 0.000 0.948 121 E HN 0.186 nan 8.360 nan 0.000 0.444 122 V N 2.683 122.359 119.914 -0.397 0.000 2.531 122 V HA 0.561 4.681 4.120 0.001 0.000 0.301 122 V C 0.616 176.954 176.094 0.407 0.000 1.034 122 V CA 0.165 62.523 62.300 0.097 0.000 0.865 122 V CB 1.076 33.008 31.823 0.181 0.000 0.995 122 V HN 1.043 nan 8.190 nan 0.000 0.424 123 G N 4.795 113.764 108.800 0.281 0.000 2.525 123 G HA2 -0.244 3.716 3.960 0.001 0.000 0.248 123 G HA3 -0.244 3.716 3.960 0.001 0.000 0.248 123 G C -0.036 175.079 174.900 0.358 0.000 1.238 123 G CA 0.159 45.438 45.100 0.299 0.000 0.926 123 G HN 0.944 nan 8.290 nan 0.000 0.574 124 N N 2.042 120.929 118.700 0.312 0.000 2.434 124 N HA 0.065 4.805 4.740 0.001 0.000 0.268 124 N C 1.807 177.532 175.510 0.358 0.000 1.256 124 N CA 0.378 53.586 53.050 0.263 0.000 0.914 124 N CB -0.063 38.505 38.487 0.135 0.000 1.088 124 N HN 0.743 nan 8.380 nan 0.000 0.478 125 W N 3.940 125.465 121.300 0.376 0.000 2.325 125 W HA -0.204 4.457 4.660 0.001 0.000 0.299 125 W C 1.318 178.089 176.519 0.419 0.000 1.215 125 W CA 0.245 57.843 57.345 0.423 0.000 1.244 125 W CB -1.264 28.440 29.460 0.405 0.000 1.140 125 W HN 0.689 nan 8.180 nan 0.000 0.523 126 W N 2.659 123.225 121.300 -1.223 0.000 2.363 126 W HA -0.202 4.458 4.660 0.001 0.000 0.296 126 W C 2.690 178.907 176.519 -0.504 0.000 1.212 126 W CA 3.393 59.973 57.345 -1.276 0.000 1.260 126 W CB -0.486 28.287 29.460 -1.144 0.000 1.131 126 W HN -0.199 nan 8.180 nan 0.000 0.530 127 S N -0.269 115.399 115.700 -0.053 0.000 2.370 127 S HA -0.255 4.215 4.470 0.001 0.000 0.226 127 S C 1.217 175.519 174.600 -0.496 0.000 1.033 127 S CA 1.878 59.921 58.200 -0.262 0.000 1.011 127 S CB -0.852 62.122 63.200 -0.376 0.000 0.852 127 S HN 0.490 nan 8.310 nan 0.000 0.457 128 W N 1.546 122.737 121.300 -0.182 0.000 2.476 128 W HA 0.132 4.792 4.660 0.001 0.000 0.281 128 W C 2.297 178.717 176.519 -0.165 0.000 1.230 128 W CA 0.182 57.377 57.345 -0.250 0.000 1.287 128 W CB -0.084 29.173 29.460 -0.338 0.000 1.108 128 W HN 0.329 nan 8.180 nan 0.000 0.567 129 E N -0.968 119.275 120.200 0.071 0.000 2.340 129 E HA 0.109 4.459 4.350 0.001 0.000 0.198 129 E C 1.736 178.243 176.600 -0.155 0.000 0.961 129 E CA 0.605 57.072 56.400 0.111 0.000 0.905 129 E CB 0.293 30.215 29.700 0.368 0.000 0.884 129 E HN 0.278 nan 8.360 nan 0.000 0.491 130 I N -0.461 119.776 120.570 -0.555 0.000 3.739 130 I HA 0.108 4.278 4.170 0.001 0.000 0.272 130 I C 2.280 177.838 176.117 -0.931 0.000 1.167 130 I CA 0.414 61.223 61.300 -0.818 0.000 1.386 130 I CB 0.053 37.292 38.000 -1.268 0.000 1.490 130 I HN 0.049 nan 8.210 nan 0.000 0.452 131 G N 1.176 109.218 108.800 -1.262 0.000 2.433 131 G HA2 -0.160 3.800 3.960 0.001 0.000 0.216 131 G HA3 -0.160 3.800 3.960 0.001 0.000 0.216 131 G C 1.617 176.218 174.900 -0.498 0.000 1.186 131 G CA 1.112 45.721 45.100 -0.818 0.000 0.779 131 G HN 0.150 nan 8.290 nan 0.000 0.543 132 V N 1.980 121.544 119.914 -0.583 0.000 2.270 132 V HA -0.073 4.047 4.120 0.001 0.000 0.245 132 V C 0.340 176.064 176.094 -0.617 0.000 1.043 132 V CA 2.095 63.932 62.300 -0.772 0.000 1.014 132 V CB -1.092 29.886 31.823 -1.409 0.000 0.645 132 V HN 0.258 nan 8.190 nan 0.000 0.447 133 P HA -0.165 nan 4.420 nan 0.000 0.216 133 P C 1.693 178.893 177.300 -0.167 0.000 1.153 133 P CA 1.552 64.525 63.100 -0.212 0.000 0.858 133 P CB -0.116 31.538 31.700 -0.077 0.000 0.789 134 R N -0.674 119.719 120.500 -0.178 0.000 2.096 134 R HA -0.050 4.291 4.340 0.001 0.000 0.235 134 R C 2.285 178.571 176.300 -0.024 0.000 1.127 134 R CA 1.569 57.624 56.100 -0.076 0.000 0.968 134 R CB -0.990 29.271 30.300 -0.065 0.000 0.861 134 R HN 0.169 nan 8.270 nan 0.000 0.440 135 A N 1.097 123.869 122.820 -0.080 0.000 1.897 135 A HA -0.105 4.216 4.320 0.001 0.000 0.215 135 A C 2.055 179.644 177.584 0.008 0.000 1.181 135 A CA 0.771 52.801 52.037 -0.011 0.000 0.620 135 A CB -0.396 18.599 19.000 -0.009 0.000 0.821 135 A HN 0.213 nan 8.150 nan 0.000 0.443 136 L N -0.026 121.130 121.223 -0.112 0.000 2.046 136 L HA -0.047 4.293 4.340 0.001 0.000 0.208 136 L C 2.607 179.490 176.870 0.021 0.000 1.077 136 L CA 2.189 56.983 54.840 -0.078 0.000 0.747 136 L CB -0.862 41.000 42.059 -0.329 0.000 0.896 136 L HN 0.338 nan 8.230 nan 0.000 0.432 137 A N -0.792 122.036 122.820 0.013 0.000 1.877 137 A HA -0.218 4.102 4.320 0.001 0.000 0.216 137 A C 2.017 179.677 177.584 0.126 0.000 1.186 137 A CA 1.846 53.916 52.037 0.056 0.000 0.620 137 A CB -0.880 18.122 19.000 0.003 0.000 0.822 137 A HN 0.517 nan 8.150 nan 0.000 0.443 138 D N 0.101 120.608 120.400 0.177 0.000 2.104 138 D HA -0.094 4.546 4.640 0.001 0.000 0.194 138 D C 2.249 178.688 176.300 0.231 0.000 0.994 138 D CA 1.672 55.852 54.000 0.300 0.000 0.830 138 D CB -0.484 40.486 40.800 0.284 0.000 0.959 138 D HN 0.416 nan 8.370 nan 0.000 0.452 139 A N 0.544 123.462 122.820 0.163 0.000 1.933 139 A HA -0.174 4.147 4.320 0.001 0.000 0.218 139 A C 2.287 179.965 177.584 0.156 0.000 1.175 139 A CA 1.377 53.498 52.037 0.139 0.000 0.628 139 A CB -0.536 18.524 19.000 0.099 0.000 0.814 139 A HN 0.170 nan 8.150 nan 0.000 0.444 140 M N -0.820 118.885 119.600 0.175 0.000 2.117 140 M HA -0.143 4.337 4.480 0.001 0.000 0.262 140 M C 2.130 178.574 176.300 0.240 0.000 1.065 140 M CA 1.486 56.908 55.300 0.203 0.000 1.114 140 M CB -0.462 32.264 32.600 0.210 0.000 1.361 140 M HN 0.281 nan 8.290 nan 0.000 0.408 141 V N 0.661 120.723 119.914 0.248 0.000 2.358 141 V HA -0.240 3.881 4.120 0.001 0.000 0.246 141 V C 2.276 178.550 176.094 0.300 0.000 1.047 141 V CA 1.508 63.977 62.300 0.281 0.000 1.035 141 V CB -0.605 31.392 31.823 0.290 0.000 0.658 141 V HN 0.443 nan 8.190 nan 0.000 0.452 142 L N -0.595 120.800 121.223 0.287 0.000 2.079 142 L HA -0.147 4.193 4.340 0.001 0.000 0.210 142 L C 1.845 178.907 176.870 0.321 0.000 1.081 142 L CA 1.472 56.490 54.840 0.297 0.000 0.752 142 L CB -0.298 41.921 42.059 0.265 0.000 0.896 142 L HN 0.305 nan 8.230 nan 0.000 0.433 143 L N -1.766 119.581 121.223 0.207 0.000 2.741 143 L HA 0.041 4.381 4.340 0.001 0.000 0.237 143 L C 1.782 178.732 176.870 0.134 0.000 1.178 143 L CA -0.196 54.694 54.840 0.084 0.000 0.973 143 L CB -0.446 41.574 42.059 -0.065 0.000 1.255 143 L HN 0.203 nan 8.230 nan 0.000 0.498 144 H N 1.493 120.640 119.070 0.129 0.000 2.352 144 H HA -0.170 4.386 4.556 0.001 0.000 0.299 144 H C 2.188 177.570 175.328 0.090 0.000 1.097 144 H CA 1.838 57.949 56.048 0.104 0.000 1.311 144 H CB 0.432 30.264 29.762 0.118 0.000 1.377 144 H HN 0.368 nan 8.280 nan 0.000 0.504 145 A N 0.026 122.982 122.820 0.226 0.000 2.172 145 A HA -0.081 4.240 4.320 0.001 0.000 0.216 145 A C 1.788 179.414 177.584 0.071 0.000 1.154 145 A CA 1.527 53.659 52.037 0.157 0.000 0.701 145 A CB -0.008 19.118 19.000 0.210 0.000 0.789 145 A HN 0.506 nan 8.150 nan 0.000 0.465 146 E N -0.933 119.282 120.200 0.025 0.000 2.364 146 E HA 0.232 4.583 4.350 0.001 0.000 0.203 146 E C 0.228 176.785 176.600 -0.071 0.000 0.888 146 E CA -0.084 56.296 56.400 -0.032 0.000 0.989 146 E CB -0.051 29.578 29.700 -0.119 0.000 0.985 146 E HN 0.526 nan 8.360 nan 0.000 0.499 147 L N 2.443 123.615 121.223 -0.085 0.000 2.417 147 L HA 0.125 4.465 4.340 0.001 0.000 0.268 147 L C 0.989 177.782 176.870 -0.128 0.000 1.158 147 L CA -0.381 54.403 54.840 -0.093 0.000 0.819 147 L CB 0.799 42.814 42.059 -0.072 0.000 1.112 147 L HN 0.003 nan 8.230 nan 0.000 0.458 148 S N 1.339 116.966 115.700 -0.121 0.000 2.645 148 S HA 0.362 4.832 4.470 0.001 0.000 0.266 148 S C 1.043 175.554 174.600 -0.149 0.000 1.258 148 S CA -0.188 57.939 58.200 -0.121 0.000 0.990 148 S CB 1.523 64.662 63.200 -0.101 0.000 0.967 148 S HN 0.689 nan 8.310 nan 0.000 0.556 149 A N 1.398 124.145 122.820 -0.122 0.000 1.908 149 A HA 0.099 4.419 4.320 0.001 0.000 0.218 149 A C 2.405 179.912 177.584 -0.130 0.000 1.181 149 A CA 1.961 53.929 52.037 -0.115 0.000 0.627 149 A CB -1.751 17.202 19.000 -0.078 0.000 0.818 149 A HN 1.383 nan 8.150 nan 0.000 0.445 150 A N -0.430 122.314 122.820 -0.127 0.000 1.933 150 A HA -0.175 4.146 4.320 0.001 0.000 0.218 150 A C 1.928 179.375 177.584 -0.229 0.000 1.175 150 A CA 1.703 53.656 52.037 -0.139 0.000 0.628 150 A CB -0.490 18.445 19.000 -0.108 0.000 0.814 150 A HN 0.653 nan 8.150 nan 0.000 0.444 151 E N -0.645 119.379 120.200 -0.293 0.000 2.047 151 E HA -0.165 4.185 4.350 0.001 0.000 0.191 151 E C 2.362 178.554 176.600 -0.681 0.000 0.987 151 E CA 0.988 57.042 56.400 -0.577 0.000 0.799 151 E CB -0.144 29.302 29.700 -0.424 0.000 0.752 151 E HN 0.520 nan 8.360 nan 0.000 0.449 152 R N 0.069 120.371 120.500 -0.330 0.000 2.091 152 R HA -0.107 4.233 4.340 0.001 0.000 0.238 152 R C 2.451 178.672 176.300 -0.132 0.000 1.136 152 R CA 1.696 57.694 56.100 -0.170 0.000 0.959 152 R CB -0.352 29.887 30.300 -0.101 0.000 0.856 152 R HN 0.131 nan 8.270 nan 0.000 0.437 153 T N 0.720 115.187 114.554 -0.144 0.000 2.708 153 T HA -0.163 4.187 4.350 0.001 0.000 0.266 153 T C 1.888 176.542 174.700 -0.076 0.000 1.037 153 T CA 1.478 63.523 62.100 -0.092 0.000 1.146 153 T CB -0.265 68.549 68.868 -0.089 0.000 0.865 153 T HN 0.399 nan 8.240 nan 0.000 0.435 154 A N 0.744 123.475 122.820 -0.148 0.000 1.883 154 A HA -0.110 4.210 4.320 0.001 0.000 0.217 154 A C 2.086 179.756 177.584 0.142 0.000 1.186 154 A CA 1.552 53.551 52.037 -0.063 0.000 0.624 154 A CB -0.920 18.006 19.000 -0.123 0.000 0.822 154 A HN 0.538 nan 8.150 nan 0.000 0.444 155 Y N -0.601 119.744 120.300 0.075 0.000 2.220 155 Y HA -0.124 4.426 4.550 0.001 0.000 0.291 155 Y C 2.915 178.882 175.900 0.111 0.000 1.129 155 Y CA -0.063 58.108 58.100 0.119 0.000 1.161 155 Y CB -1.656 36.871 38.460 0.111 0.000 0.997 155 Y HN 0.362 nan 8.280 nan 0.000 0.522 156 C N 0.148 119.568 119.300 0.200 0.000 2.413 156 C HA -0.180 4.280 4.460 0.001 0.000 0.276 156 C C 3.062 178.117 174.990 0.110 0.000 1.248 156 C CA 1.145 60.236 59.018 0.122 0.000 1.742 156 C CB -1.516 26.257 27.740 0.054 0.000 2.017 156 C HN 0.603 nan 8.230 nan 0.000 0.481 157 A N 0.367 123.238 122.820 0.086 0.000 1.933 157 A HA 0.074 4.394 4.320 0.001 0.000 0.218 157 A C 2.349 179.977 177.584 0.072 0.000 1.175 157 A CA 2.065 54.133 52.037 0.051 0.000 0.628 157 A CB -0.814 18.191 19.000 0.008 0.000 0.814 157 A HN 0.582 nan 8.150 nan 0.000 0.444 158 A N 0.106 123.012 122.820 0.144 0.000 1.858 158 A HA -0.087 4.234 4.320 0.001 0.000 0.216 158 A C 2.128 179.880 177.584 0.280 0.000 1.190 158 A CA 1.519 53.655 52.037 0.165 0.000 0.617 158 A CB -0.639 18.545 19.000 0.306 0.000 0.827 158 A HN 0.483 nan 8.150 nan 0.000 0.443 159 I N 0.064 120.842 120.570 0.347 0.000 2.163 159 I HA -0.271 3.899 4.170 0.001 0.000 0.243 159 I C 1.780 178.031 176.117 0.223 0.000 1.085 159 I CA 1.698 63.202 61.300 0.339 0.000 1.347 159 I CB -0.511 37.622 38.000 0.222 0.000 1.044 159 I HN 0.268 nan 8.210 nan 0.000 0.408 160 D N -0.601 119.878 120.400 0.132 0.000 2.219 160 D HA -0.219 4.422 4.640 0.001 0.000 0.205 160 D C 1.931 178.245 176.300 0.023 0.000 0.970 160 D CA 1.234 55.274 54.000 0.067 0.000 0.851 160 D CB -0.397 40.423 40.800 0.034 0.000 0.943 160 D HN 0.466 nan 8.370 nan 0.000 0.488 161 H N -0.288 118.701 119.070 -0.135 0.000 2.321 161 H HA -0.079 4.477 4.556 0.001 0.000 0.300 161 H C 1.690 176.788 175.328 -0.384 0.000 1.087 161 H CA 1.549 57.397 56.048 -0.334 0.000 1.319 161 H CB -0.446 28.992 29.762 -0.540 0.000 1.379 161 H HN 0.095 nan 8.280 nan 0.000 0.501 162 F N -0.694 119.184 119.950 -0.119 0.000 2.416 162 F HA 0.126 4.653 4.527 0.001 0.000 0.296 162 F C 0.668 176.461 175.800 -0.011 0.000 1.099 162 F CA 0.311 58.249 58.000 -0.103 0.000 1.427 162 F CB 0.680 39.740 39.000 0.099 0.000 1.079 162 F HN -0.034 nan 8.300 nan 0.000 0.536 163 V N 1.756 121.771 119.914 0.167 0.000 2.384 163 V HA 0.157 4.277 4.120 0.001 0.000 0.257 163 V C -1.753 174.379 176.094 0.064 0.000 0.969 163 V CA -0.966 61.411 62.300 0.127 0.000 0.910 163 V CB 0.719 32.632 31.823 0.151 0.000 1.150 163 V HN -0.073 nan 8.190 nan 0.000 0.481 164 P HA 0.019 nan 4.420 nan 0.000 0.223 164 P C 0.182 177.475 177.300 -0.012 0.000 1.151 164 P CA 1.147 64.237 63.100 -0.017 0.000 0.787 164 P CB 0.653 32.322 31.700 -0.053 0.000 0.788 165 D N -0.548 119.868 120.400 0.027 0.000 2.365 165 D HA 0.128 4.768 4.640 0.001 0.000 0.235 165 D C -2.218 174.172 176.300 0.150 0.000 1.368 165 D CA -1.938 52.098 54.000 0.061 0.000 1.001 165 D CB 1.417 42.215 40.800 -0.004 0.000 1.364 165 D HN -0.109 nan 8.370 nan 0.000 0.577 166 P HA -0.003 nan 4.420 nan 0.000 0.239 166 P C 0.879 178.344 177.300 0.274 0.000 1.184 166 P CA 0.227 63.449 63.100 0.203 0.000 0.760 166 P CB 0.035 31.840 31.700 0.176 0.000 0.884 167 W N 0.297 121.586 121.300 -0.018 0.000 2.937 167 W HA 0.184 4.844 4.660 0.001 0.000 0.245 167 W C 1.023 177.495 176.519 -0.078 0.000 1.306 167 W CA 0.295 57.600 57.345 -0.066 0.000 1.470 167 W CB -0.742 28.696 29.460 -0.036 0.000 1.132 167 W HN -0.095 nan 8.180 nan 0.000 0.675 168 L N 0.291 121.596 121.223 0.137 0.000 2.309 168 L HA 0.494 4.834 4.340 0.001 0.000 0.261 168 L C -0.002 176.812 176.870 -0.094 0.000 1.021 168 L CA -1.122 53.712 54.840 -0.011 0.000 0.823 168 L CB 2.033 44.093 42.059 0.000 0.000 1.366 168 L HN -0.181 nan 8.230 nan 0.000 0.423 169 Q N 0.807 120.437 119.800 -0.282 0.000 2.501 169 Q HA 0.739 5.079 4.340 0.001 0.000 0.288 169 Q C -1.231 174.483 176.000 -0.476 0.000 1.051 169 Q CA -0.825 54.717 55.803 -0.436 0.000 0.788 169 Q CB 2.930 31.149 28.738 -0.864 0.000 1.469 169 Q HN 0.530 nan 8.270 nan 0.000 0.416 170 F N -1.688 118.122 119.950 -0.234 0.000 2.183 170 F HA -0.122 4.406 4.527 0.001 0.000 0.318 170 F C -2.490 173.294 175.800 -0.026 0.000 1.293 170 F CA -0.864 57.038 58.000 -0.163 0.000 0.912 170 F CB -0.664 38.181 39.000 -0.260 0.000 4.134 170 F HN 0.578 nan 8.300 nan 0.000 0.138 171 P HA 0.136 nan 4.420 nan 0.000 0.274 171 P C -2.405 174.913 177.300 0.030 0.000 1.237 171 P CA -1.091 62.059 63.100 0.084 0.000 0.793 171 P CB 0.740 32.466 31.700 0.044 0.000 0.977 172 P HA -0.212 nan 4.420 nan 0.000 0.217 172 P C 1.658 178.945 177.300 -0.022 0.000 1.151 172 P CA 2.720 65.807 63.100 -0.022 0.000 0.849 172 P CB -0.639 31.034 31.700 -0.045 0.000 0.787 173 K N 0.059 120.440 120.400 -0.030 0.000 2.360 173 K HA -0.123 4.197 4.320 0.001 0.000 0.201 173 K C 2.048 178.621 176.600 -0.045 0.000 1.046 173 K CA 1.641 57.907 56.287 -0.035 0.000 0.945 173 K CB -1.207 31.271 32.500 -0.038 0.000 0.750 173 K HN 0.154 nan 8.250 nan 0.000 0.464 174 R N -1.204 119.264 120.500 -0.053 0.000 2.237 174 R HA 0.191 4.532 4.340 0.001 0.000 0.195 174 R C 0.313 176.582 176.300 -0.051 0.000 0.956 174 R CA 0.901 56.940 56.100 -0.102 0.000 1.029 174 R CB 0.265 30.432 30.300 -0.223 0.000 0.972 174 R HN 0.579 nan 8.270 nan 0.000 0.493 175 G N 1.928 110.728 108.800 -0.001 0.000 3.172 175 G HA2 -0.200 3.761 3.960 0.001 0.000 0.686 175 G HA3 -0.200 3.761 3.960 0.001 0.000 0.686 175 G C -1.357 173.604 174.900 0.100 0.000 1.009 175 G CA -0.616 44.500 45.100 0.028 0.000 0.787 175 G HN 0.207 nan 8.290 nan 0.000 0.559 176 K N 1.442 121.880 120.400 0.063 0.000 2.172 176 K HA 0.687 5.008 4.320 0.001 0.000 0.276 176 K C 1.019 177.608 176.600 -0.018 0.000 1.013 176 K CA -0.484 55.827 56.287 0.040 0.000 0.913 176 K CB 1.580 34.078 32.500 -0.003 0.000 1.055 176 K HN 0.734 nan 8.250 nan 0.000 0.461 177 I N -2.033 118.450 120.570 -0.145 0.000 2.910 177 I HA 0.378 4.549 4.170 0.001 0.000 0.310 177 I C -0.175 175.812 176.117 -0.216 0.000 1.043 177 I CA -0.924 60.274 61.300 -0.169 0.000 1.053 177 I CB 1.970 39.861 38.000 -0.182 0.000 1.242 177 I HN 0.278 nan 8.210 nan 0.000 0.452 178 T N 2.970 117.439 114.554 -0.142 0.000 2.867 178 T HA 0.128 4.479 4.350 0.001 0.000 0.297 178 T C 0.417 174.999 174.700 -0.196 0.000 0.989 178 T CA -0.043 61.987 62.100 -0.116 0.000 1.159 178 T CB -0.059 68.760 68.868 -0.082 0.000 0.928 178 T HN 0.757 nan 8.240 nan 0.000 0.538 179 S N 2.593 118.190 115.700 -0.172 0.000 2.565 179 S HA 0.592 5.062 4.470 0.001 0.000 0.274 179 S C 0.084 174.593 174.600 -0.151 0.000 1.309 179 S CA -0.919 57.172 58.200 -0.182 0.000 1.043 179 S CB 0.812 63.944 63.200 -0.114 0.000 0.939 179 S HN 0.759 nan 8.310 nan 0.000 0.504 180 V N -0.389 119.452 119.914 -0.120 0.000 3.040 180 V HA 0.959 5.080 4.120 0.001 0.000 0.312 180 V C 0.848 176.916 176.094 -0.043 0.000 1.115 180 V CA -0.072 62.162 62.300 -0.109 0.000 0.998 180 V CB 0.536 32.291 31.823 -0.115 0.000 1.042 180 V HN 1.797 nan 8.190 nan 0.000 0.433 181 G N 1.992 110.780 108.800 -0.021 0.000 2.596 181 G HA2 -0.104 3.856 3.960 0.001 0.000 0.295 181 G HA3 -0.104 3.856 3.960 0.001 0.000 0.295 181 G C 1.189 176.160 174.900 0.119 0.000 1.240 181 G CA 1.578 46.751 45.100 0.121 0.000 0.985 181 G HN 2.336 nan 8.290 nan 0.000 0.555 182 A N -0.525 122.422 122.820 0.210 0.000 1.978 182 A HA -0.129 4.191 4.320 0.001 0.000 0.220 182 A C 2.237 179.931 177.584 0.184 0.000 1.170 182 A CA 2.572 54.729 52.037 0.201 0.000 0.636 182 A CB -0.544 18.662 19.000 0.344 0.000 0.810 182 A HN 0.683 nan 8.150 nan 0.000 0.448 183 N N -0.496 118.317 118.700 0.190 0.000 2.106 183 N HA -0.151 4.589 4.740 0.001 0.000 0.188 183 N C 1.853 177.429 175.510 0.111 0.000 1.029 183 N CA 1.547 54.734 53.050 0.229 0.000 0.848 183 N CB -0.446 38.215 38.487 0.290 0.000 1.007 183 N HN 0.512 nan 8.380 nan 0.000 0.423 184 R N 1.459 121.973 120.500 0.023 0.000 2.083 184 R HA -0.037 4.303 4.340 0.001 0.000 0.237 184 R C 1.947 178.218 176.300 -0.049 0.000 1.137 184 R CA 1.117 57.185 56.100 -0.054 0.000 0.951 184 R CB -0.816 29.391 30.300 -0.154 0.000 0.851 184 R HN 0.012 nan 8.270 nan 0.000 0.434 185 V N 1.107 121.002 119.914 -0.033 0.000 2.261 185 V HA -0.246 3.875 4.120 0.001 0.000 0.246 185 V C 1.851 177.947 176.094 0.003 0.000 1.047 185 V CA 2.298 64.579 62.300 -0.031 0.000 1.015 185 V CB -0.617 31.183 31.823 -0.039 0.000 0.642 185 V HN 0.353 nan 8.190 nan 0.000 0.446 186 D N -0.077 120.345 120.400 0.037 0.000 2.144 186 D HA -0.112 4.528 4.640 0.001 0.000 0.199 186 D C 2.137 178.432 176.300 -0.009 0.000 0.984 186 D CA 1.197 55.212 54.000 0.025 0.000 0.834 186 D CB -0.170 40.662 40.800 0.052 0.000 0.955 186 D HN 0.344 nan 8.370 nan 0.000 0.465 187 L N -0.001 121.232 121.223 0.017 0.000 2.056 187 L HA -0.166 4.174 4.340 0.001 0.000 0.207 187 L C 2.696 179.580 176.870 0.023 0.000 1.078 187 L CA 0.777 55.633 54.840 0.027 0.000 0.749 187 L CB -0.301 41.800 42.059 0.071 0.000 0.901 187 L HN 0.113 nan 8.230 nan 0.000 0.433 188 C N -0.793 118.515 119.300 0.014 0.000 2.425 188 C HA -0.185 4.276 4.460 0.001 0.000 0.277 188 C C 2.856 177.838 174.990 -0.014 0.000 1.280 188 C CA 0.825 59.850 59.018 0.011 0.000 1.744 188 C CB -0.789 26.944 27.740 -0.012 0.000 1.989 188 C HN 0.569 nan 8.230 nan 0.000 0.491 189 Q N 0.978 120.766 119.800 -0.021 0.000 2.030 189 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 189 Q C 2.321 178.272 176.000 -0.081 0.000 0.986 189 Q CA 2.203 57.977 55.803 -0.049 0.000 0.843 189 Q CB -0.530 28.210 28.738 0.003 0.000 0.904 189 Q HN 0.647 nan 8.270 nan 0.000 0.420 190 G N 1.353 110.123 108.800 -0.051 0.000 2.440 190 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 190 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 190 G C 1.415 176.287 174.900 -0.047 0.000 1.154 190 G CA 0.916 45.984 45.100 -0.054 0.000 0.767 190 G HN 0.351 nan 8.290 nan 0.000 0.552 191 I N 0.927 121.483 120.570 -0.022 0.000 2.315 191 I HA -0.032 4.138 4.170 0.001 0.000 0.248 191 I C 2.784 178.868 176.117 -0.055 0.000 1.117 191 I CA 0.617 61.911 61.300 -0.010 0.000 1.404 191 I CB -0.939 37.084 38.000 0.038 0.000 1.071 191 I HN 0.190 nan 8.210 nan 0.000 0.419 192 I N 0.509 121.024 120.570 -0.091 0.000 2.179 192 I HA -0.292 3.879 4.170 0.001 0.000 0.242 192 I C 2.436 178.418 176.117 -0.225 0.000 1.088 192 I CA 1.160 62.369 61.300 -0.152 0.000 1.357 192 I CB -0.209 37.693 38.000 -0.163 0.000 1.051 192 I HN 0.083 nan 8.210 nan 0.000 0.409 193 I N 0.530 120.925 120.570 -0.291 0.000 2.252 193 I HA -0.244 3.926 4.170 0.001 0.000 0.245 193 I C 2.608 178.630 176.117 -0.158 0.000 1.102 193 I CA 1.358 62.448 61.300 -0.350 0.000 1.385 193 I CB -1.507 36.224 38.000 -0.450 0.000 1.064 193 I HN 0.356 nan 8.210 nan 0.000 0.414 194 R N 1.318 121.764 120.500 -0.090 0.000 2.120 194 R HA -0.113 4.227 4.340 0.001 0.000 0.234 194 R C 1.988 178.258 176.300 -0.049 0.000 1.123 194 R CA 1.693 57.776 56.100 -0.029 0.000 0.975 194 R CB -0.272 30.031 30.300 0.005 0.000 0.866 194 R HN 0.265 nan 8.270 nan 0.000 0.446 195 S N 1.070 116.722 115.700 -0.080 0.000 2.453 195 S HA 0.032 4.502 4.470 0.001 0.000 0.231 195 S C 1.928 176.450 174.600 -0.131 0.000 1.005 195 S CA 0.628 58.764 58.200 -0.105 0.000 0.949 195 S CB -0.009 63.134 63.200 -0.095 0.000 0.774 195 S HN 0.288 nan 8.310 nan 0.000 0.510 196 L N 0.924 122.101 121.223 -0.077 0.000 2.072 196 L HA -0.036 4.304 4.340 0.001 0.000 0.205 196 L C 2.825 179.659 176.870 -0.060 0.000 1.079 196 L CA 1.130 55.972 54.840 0.004 0.000 0.752 196 L CB -0.770 41.284 42.059 -0.008 0.000 0.906 196 L HN 0.311 nan 8.230 nan 0.000 0.436 197 A N 0.469 123.282 122.820 -0.013 0.000 1.877 197 A HA -0.119 4.201 4.320 0.001 0.000 0.216 197 A C 2.247 179.868 177.584 0.062 0.000 1.186 197 A CA 1.848 53.950 52.037 0.108 0.000 0.620 197 A CB -1.135 17.949 19.000 0.140 0.000 0.822 197 A HN 0.435 nan 8.150 nan 0.000 0.443 198 G N -1.380 107.385 108.800 -0.057 0.000 2.985 198 G HA2 0.293 4.253 3.960 0.001 0.000 0.209 198 G HA3 0.293 4.253 3.960 0.001 0.000 0.209 198 G C 0.114 174.856 174.900 -0.262 0.000 1.165 198 G CA 0.410 45.447 45.100 -0.105 0.000 0.776 198 G HN 0.610 nan 8.290 nan 0.000 0.541 199 E N 0.653 120.535 120.200 -0.529 0.000 2.240 199 E HA -0.168 4.182 4.350 0.001 0.000 0.194 199 E C -1.019 175.147 176.600 -0.723 0.000 1.385 199 E CA 0.508 56.184 56.400 -1.205 0.000 0.686 199 E CB -0.845 28.317 29.700 -0.897 0.000 1.125 199 E HN 0.364 nan 8.360 nan 0.000 0.359 200 D N 0.616 120.746 120.400 -0.450 0.000 2.462 200 D HA 0.152 4.792 4.640 0.001 0.000 0.249 200 D C -1.489 174.834 176.300 0.040 0.000 1.117 200 D CA -2.308 51.613 54.000 -0.131 0.000 0.900 200 D CB 1.065 41.810 40.800 -0.091 0.000 1.039 200 D HN -0.021 nan 8.370 nan 0.000 0.516 201 P HA -0.083 nan 4.420 nan 0.000 0.220 201 P C 1.298 178.746 177.300 0.247 0.000 1.148 201 P CA 0.800 64.143 63.100 0.405 0.000 0.803 201 P CB 0.431 32.455 31.700 0.540 0.000 0.782 202 T N 0.546 115.187 114.554 0.145 0.000 2.701 202 T HA -0.093 4.257 4.350 0.001 0.000 0.263 202 T C 1.799 176.548 174.700 0.081 0.000 1.040 202 T CA 1.403 63.560 62.100 0.096 0.000 1.147 202 T CB -0.435 68.455 68.868 0.036 0.000 0.865 202 T HN 0.240 nan 8.240 nan 0.000 0.426 203 K N 0.752 121.179 120.400 0.046 0.000 2.057 203 K HA 0.032 4.352 4.320 0.001 0.000 0.207 203 K C 2.292 178.934 176.600 0.071 0.000 1.049 203 K CA 0.883 57.200 56.287 0.049 0.000 0.931 203 K CB -0.395 32.113 32.500 0.013 0.000 0.714 203 K HN 0.214 nan 8.250 nan 0.000 0.440 204 L N 1.449 122.681 121.223 0.016 0.000 1.994 204 L HA -0.244 4.096 4.340 0.001 0.000 0.208 204 L C 1.971 178.868 176.870 0.045 0.000 1.071 204 L CA 1.379 56.176 54.840 -0.072 0.000 0.745 204 L CB -0.305 41.535 42.059 -0.365 0.000 0.892 204 L HN 0.256 nan 8.230 nan 0.000 0.431 205 N N -0.913 117.885 118.700 0.163 0.000 2.104 205 N HA -0.282 4.459 4.740 0.001 0.000 0.190 205 N C 1.777 177.424 175.510 0.228 0.000 1.024 205 N CA 1.736 54.932 53.050 0.243 0.000 0.853 205 N CB -0.527 38.118 38.487 0.263 0.000 1.008 205 N HN 0.504 nan 8.380 nan 0.000 0.424 206 H N 0.656 119.792 119.070 0.110 0.000 2.326 206 H HA 0.111 4.667 4.556 0.001 0.000 0.301 206 H C 1.866 177.379 175.328 0.308 0.000 1.081 206 H CA 1.967 58.087 56.048 0.120 0.000 1.334 206 H CB -0.269 29.450 29.762 -0.073 0.000 1.385 206 H HN 0.198 nan 8.280 nan 0.000 0.504 207 A N 0.071 122.994 122.820 0.172 0.000 1.933 207 A HA -0.119 4.202 4.320 0.001 0.000 0.218 207 A C 2.667 180.303 177.584 0.087 0.000 1.175 207 A CA 1.675 53.788 52.037 0.126 0.000 0.628 207 A CB -0.948 18.102 19.000 0.083 0.000 0.814 207 A HN 0.342 nan 8.150 nan 0.000 0.444 208 V N -0.147 119.828 119.914 0.102 0.000 2.295 208 V HA -0.259 3.861 4.120 0.001 0.000 0.246 208 V C 3.044 179.187 176.094 0.082 0.000 1.049 208 V CA 1.948 64.312 62.300 0.106 0.000 1.024 208 V CB -1.236 30.673 31.823 0.144 0.000 0.648 208 V HN 0.613 nan 8.190 nan 0.000 0.447 209 A N 0.541 123.437 122.820 0.127 0.000 1.972 209 A HA -0.087 4.233 4.320 0.001 0.000 0.219 209 A C 2.376 179.879 177.584 -0.135 0.000 1.169 209 A CA 1.764 53.868 52.037 0.111 0.000 0.635 209 A CB -1.104 18.077 19.000 0.301 0.000 0.810 209 A HN 0.553 nan 8.150 nan 0.000 0.446 210 G N -0.175 108.510 108.800 -0.191 0.000 2.470 210 G HA2 -0.122 3.838 3.960 0.001 0.000 0.220 210 G HA3 -0.122 3.838 3.960 0.001 0.000 0.220 210 G C 1.419 175.937 174.900 -0.637 0.000 1.121 210 G CA 0.921 45.507 45.100 -0.856 0.000 0.766 210 G HN 0.476 nan 8.290 nan 0.000 0.553 211 L N 0.718 121.714 121.223 -0.377 0.000 2.201 211 L HA -0.055 4.286 4.340 0.001 0.000 0.212 211 L C 3.028 179.304 176.870 -0.991 0.000 1.105 211 L CA 0.783 55.374 54.840 -0.414 0.000 0.775 211 L CB -0.322 41.721 42.059 -0.026 0.000 0.913 211 L HN 0.136 nan 8.230 nan 0.000 0.440 212 S N -0.422 114.746 115.700 -0.887 0.000 2.383 212 S HA -0.254 4.216 4.470 0.001 0.000 0.229 212 S C 1.933 175.786 174.600 -1.244 0.000 1.030 212 S CA 1.230 58.729 58.200 -1.168 0.000 1.002 212 S CB -0.185 62.752 63.200 -0.438 0.000 0.829 212 S HN 0.360 nan 8.310 nan 0.000 0.467 213 Q N 1.227 120.508 119.800 -0.864 0.000 2.226 213 Q HA -0.077 4.263 4.340 0.001 0.000 0.204 213 Q C 2.057 177.701 176.000 -0.594 0.000 0.975 213 Q CA 1.387 56.807 55.803 -0.637 0.000 0.866 213 Q CB -0.484 27.932 28.738 -0.537 0.000 0.915 213 Q HN 0.566 nan 8.270 nan 0.000 0.440 214 V N -1.810 117.696 119.914 -0.680 0.000 2.970 214 V HA -0.038 4.082 4.120 0.001 0.000 0.260 214 V C 1.065 177.056 176.094 -0.172 0.000 1.100 214 V CA 1.265 63.357 62.300 -0.347 0.000 1.122 214 V CB -0.953 30.722 31.823 -0.247 0.000 0.721 214 V HN 0.569 nan 8.190 nan 0.000 0.483 215 W N -0.146 121.086 121.300 -0.113 0.000 2.966 215 W HA 0.580 5.241 4.660 0.001 0.000 0.406 215 W C 0.254 176.661 176.519 -0.187 0.000 1.027 215 W CA -1.193 56.089 57.345 -0.105 0.000 1.930 215 W CB -0.605 28.817 29.460 -0.064 0.000 1.144 215 W HN 0.019 nan 8.180 nan 0.000 0.626 216 Q N 1.434 121.132 119.800 -0.169 0.000 2.314 216 Q HA 0.117 4.457 4.340 0.001 0.000 0.258 216 Q C -0.591 175.360 176.000 -0.082 0.000 0.954 216 Q CA -0.642 55.094 55.803 -0.112 0.000 0.890 216 Q CB 0.823 29.477 28.738 -0.140 0.000 1.210 216 Q HN 0.368 nan 8.270 nan 0.000 0.410 217 Y N 0.706 121.014 120.300 0.013 0.000 2.610 217 Y HA 0.127 4.677 4.550 0.001 0.000 0.332 217 Y C 0.994 176.802 175.900 -0.153 0.000 1.201 217 Y CA -0.462 57.610 58.100 -0.046 0.000 1.465 217 Y CB 0.599 39.057 38.460 -0.003 0.000 1.283 217 Y HN 0.342 nan 8.280 nan 0.000 0.563 218 V N -0.477 119.361 119.914 -0.128 0.000 3.019 218 V HA 0.551 4.672 4.120 0.001 0.000 0.317 218 V C 0.248 176.030 176.094 -0.520 0.000 1.094 218 V CA -0.255 61.835 62.300 -0.350 0.000 1.000 218 V CB 1.725 33.258 31.823 -0.482 0.000 1.060 218 V HN 0.845 nan 8.190 nan 0.000 0.443 219 T N -1.789 112.571 114.554 -0.324 0.000 3.040 219 T HA 0.459 4.809 4.350 0.001 0.000 0.266 219 T C 0.516 175.266 174.700 0.083 0.000 1.005 219 T CA 0.482 62.515 62.100 -0.112 0.000 0.906 219 T CB -0.452 68.418 68.868 0.003 0.000 1.082 219 T HN 1.684 nan 8.240 nan 0.000 0.531 220 S N -0.983 114.689 115.700 -0.047 0.000 2.636 220 S HA 0.713 5.183 4.470 0.001 0.000 0.268 220 S C 0.426 175.045 174.600 0.032 0.000 1.159 220 S CA -0.158 58.118 58.200 0.126 0.000 0.815 220 S CB 1.112 64.358 63.200 0.077 0.000 1.130 220 S HN 1.477 nan 8.310 nan 0.000 0.471 221 G N 1.112 109.966 108.800 0.090 0.000 2.552 221 G HA2 -0.074 3.886 3.960 0.001 0.000 0.265 221 G HA3 -0.074 3.886 3.960 0.001 0.000 0.265 221 G C -1.304 173.616 174.900 0.033 0.000 1.234 221 G CA 0.454 45.572 45.100 0.030 0.000 0.944 221 G HN 1.021 nan 8.290 nan 0.000 0.568 222 D N 1.541 121.904 120.400 -0.062 0.000 2.168 222 D HA 0.666 5.306 4.640 0.001 0.000 0.246 222 D C 0.801 176.977 176.300 -0.207 0.000 1.050 222 D CA 1.404 55.317 54.000 -0.144 0.000 0.857 222 D CB 0.995 41.703 40.800 -0.152 0.000 1.169 222 D HN 1.611 nan 8.370 nan 0.000 0.453 223 G N 0.543 109.152 108.800 -0.318 0.000 2.320 223 G HA2 0.042 4.002 3.960 0.001 0.000 0.274 223 G HA3 0.042 4.002 3.960 0.001 0.000 0.274 223 G C -1.288 173.599 174.900 -0.021 0.000 1.324 223 G CA -0.979 44.016 45.100 -0.175 0.000 0.957 223 G HN 0.403 nan 8.290 nan 0.000 0.481 224 I N 1.007 121.694 120.570 0.195 0.000 2.342 224 I HA 0.459 4.629 4.170 0.001 0.000 0.291 224 I C -0.291 176.006 176.117 0.300 0.000 1.010 224 I CA -0.345 61.175 61.300 0.366 0.000 1.308 224 I CB 0.690 38.898 38.000 0.346 0.000 1.400 224 I HN 0.241 nan 8.210 nan 0.000 0.488 225 F N 4.611 124.723 119.950 0.270 0.000 2.378 225 F HA 0.418 4.945 4.527 0.001 0.000 0.325 225 F C 1.653 177.547 175.800 0.157 0.000 1.097 225 F CA -0.581 57.538 58.000 0.198 0.000 1.079 225 F CB 0.750 39.809 39.000 0.099 0.000 1.240 225 F HN 0.343 nan 8.300 nan 0.000 0.519 226 R N 0.278 120.774 120.500 -0.007 0.000 2.193 226 R HA -0.137 4.203 4.340 0.001 0.000 0.229 226 R C 0.967 177.244 176.300 -0.038 0.000 1.110 226 R CA 1.439 57.306 56.100 -0.388 0.000 0.988 226 R CB -0.377 29.631 30.300 -0.487 0.000 0.871 226 R HN 0.655 nan 8.270 nan 0.000 0.458 227 D N -1.025 119.443 120.400 0.113 0.000 2.336 227 D HA 0.027 4.668 4.640 0.001 0.000 0.229 227 D C 1.127 177.579 176.300 0.253 0.000 1.061 227 D CA 0.781 54.852 54.000 0.119 0.000 0.875 227 D CB 0.216 41.064 40.800 0.079 0.000 0.904 227 D HN 0.242 nan 8.370 nan 0.000 0.525 228 G N -0.518 108.481 108.800 0.331 0.000 2.199 228 G HA2 -0.293 3.668 3.960 0.001 0.000 0.254 228 G HA3 -0.293 3.668 3.960 0.001 0.000 0.254 228 G C 0.481 175.568 174.900 0.311 0.000 0.982 228 G CA 0.226 45.560 45.100 0.389 0.000 0.632 228 G HN 0.446 nan 8.290 nan 0.000 0.529 229 S N -0.175 115.722 115.700 0.327 0.000 2.566 229 S HA 0.513 4.983 4.470 0.001 0.000 0.280 229 S C -0.411 174.330 174.600 0.235 0.000 1.343 229 S CA 0.509 58.760 58.200 0.084 0.000 1.036 229 S CB 1.017 64.160 63.200 -0.094 0.000 0.866 229 S HN 0.958 nan 8.310 nan 0.000 0.526 230 F N 2.294 122.233 119.950 -0.018 0.000 2.562 230 F HA 0.617 5.144 4.527 0.001 0.000 0.319 230 F C -1.143 174.721 175.800 0.106 0.000 1.154 230 F CA -0.763 57.290 58.000 0.088 0.000 0.931 230 F CB 0.664 39.645 39.000 -0.032 0.000 1.198 230 F HN 0.397 nan 8.300 nan 0.000 0.444 231 I N 5.135 125.399 120.570 -0.509 0.000 2.474 231 I HA 0.439 4.609 4.170 0.001 0.000 0.294 231 I C -0.994 174.788 176.117 -0.559 0.000 1.005 231 I CA -0.844 60.272 61.300 -0.307 0.000 1.113 231 I CB 2.188 40.161 38.000 -0.044 0.000 1.289 231 I HN 0.579 nan 8.210 nan 0.000 0.436 232 Q N 3.518 123.200 119.800 -0.196 0.000 2.394 232 Q HA 0.418 4.758 4.340 0.001 0.000 0.273 232 Q C -0.661 175.296 176.000 -0.073 0.000 1.089 232 Q CA -0.370 55.265 55.803 -0.281 0.000 0.812 232 Q CB 1.194 29.601 28.738 -0.551 0.000 1.353 232 Q HN 0.633 nan 8.270 nan 0.000 0.438 233 H N 1.947 120.963 119.070 -0.090 0.000 2.903 233 H HA -0.237 4.319 4.556 0.001 0.000 0.285 233 H C 0.309 175.670 175.328 0.055 0.000 1.231 233 H CA 0.144 56.199 56.048 0.011 0.000 1.135 233 H CB -1.516 28.324 29.762 0.130 0.000 1.328 233 H HN 0.789 nan 8.280 nan 0.000 0.388 234 S N -2.389 113.385 115.700 0.123 0.000 1.891 234 S HA -0.329 4.141 4.470 0.001 0.000 0.224 234 S C 1.594 176.241 174.600 0.077 0.000 0.993 234 S CA 2.541 60.792 58.200 0.085 0.000 1.595 234 S CB -1.089 62.158 63.200 0.079 0.000 2.103 234 S HN 0.920 nan 8.310 nan 0.000 0.555 235 T N -2.070 112.540 114.554 0.093 0.000 3.111 235 T HA 0.467 4.817 4.350 0.001 0.000 0.284 235 T C -0.033 174.683 174.700 0.028 0.000 0.983 235 T CA 0.373 62.503 62.100 0.051 0.000 0.900 235 T CB 0.894 69.794 68.868 0.054 0.000 1.132 235 T HN 0.301 nan 8.240 nan 0.000 0.531 236 T N 4.305 118.885 114.554 0.042 0.000 2.812 236 T HA 0.528 4.879 4.350 0.001 0.000 0.282 236 T C -3.041 171.590 174.700 -0.116 0.000 0.990 236 T CA -1.450 60.611 62.100 -0.065 0.000 0.960 236 T CB 1.895 70.690 68.868 -0.122 0.000 0.948 236 T HN -0.085 nan 8.240 nan 0.000 0.438 237 P HA 0.175 nan 4.420 nan 0.000 0.267 237 P C -0.726 176.514 177.300 -0.100 0.000 1.209 237 P CA 0.210 63.238 63.100 -0.120 0.000 0.763 237 P CB 0.207 31.828 31.700 -0.132 0.000 0.816 238 Y N 0.654 121.011 120.300 0.094 0.000 2.767 238 Y HA 0.015 4.565 4.550 0.001 0.000 0.254 238 Y C 1.663 177.759 175.900 0.326 0.000 1.133 238 Y CA -0.109 58.129 58.100 0.229 0.000 1.225 238 Y CB 0.484 39.111 38.460 0.278 0.000 1.312 238 Y HN 0.215 nan 8.280 nan 0.000 0.560 239 T N -0.773 113.982 114.554 0.335 0.000 2.737 239 T HA -0.236 4.115 4.350 0.001 0.000 0.269 239 T C 2.025 176.789 174.700 0.106 0.000 1.040 239 T CA 1.808 63.959 62.100 0.085 0.000 1.142 239 T CB -0.385 68.368 68.868 -0.191 0.000 0.861 239 T HN 0.618 nan 8.240 nan 0.000 0.456 240 G N 0.297 109.156 108.800 0.098 0.000 2.712 240 G HA2 0.077 4.038 3.960 0.001 0.000 0.212 240 G HA3 0.077 4.038 3.960 0.001 0.000 0.212 240 G C 1.557 176.484 174.900 0.044 0.000 1.142 240 G CA 0.990 46.113 45.100 0.039 0.000 0.789 240 G HN 0.641 nan 8.290 nan 0.000 0.535 241 S N -1.229 114.537 115.700 0.110 0.000 3.597 241 S HA 0.147 4.617 4.470 0.001 0.000 0.206 241 S C 1.792 176.295 174.600 -0.162 0.000 0.948 241 S CA 0.022 58.188 58.200 -0.056 0.000 0.863 241 S CB -0.476 62.678 63.200 -0.076 0.000 1.015 241 S HN 0.110 nan 8.310 nan 0.000 0.616 242 Y N 2.875 123.095 120.300 -0.133 0.000 2.207 242 Y HA 0.078 4.629 4.550 0.001 0.000 0.287 242 Y C 2.881 178.749 175.900 -0.053 0.000 1.156 242 Y CA 1.251 59.287 58.100 -0.106 0.000 1.182 242 Y CB -0.777 37.563 38.460 -0.200 0.000 0.979 242 Y HN 0.546 nan 8.280 nan 0.000 0.521 243 G N -0.696 108.118 108.800 0.023 0.000 2.422 243 G HA2 -0.201 3.760 3.960 0.001 0.000 0.218 243 G HA3 -0.201 3.760 3.960 0.001 0.000 0.218 243 G C 1.716 176.625 174.900 0.014 0.000 1.146 243 G CA 1.194 46.060 45.100 -0.389 0.000 0.769 243 G HN 0.288 nan 8.290 nan 0.000 0.547 244 V N 0.554 120.477 119.914 0.016 0.000 2.427 244 V HA -0.154 3.967 4.120 0.001 0.000 0.248 244 V C 2.999 179.019 176.094 -0.122 0.000 1.051 244 V CA 1.311 63.539 62.300 -0.120 0.000 1.048 244 V CB -0.226 31.524 31.823 -0.121 0.000 0.666 244 V HN 0.249 nan 8.190 nan 0.000 0.456 245 V N -0.096 119.774 119.914 -0.074 0.000 2.343 245 V HA -0.286 3.834 4.120 0.001 0.000 0.247 245 V C 2.314 178.390 176.094 -0.029 0.000 1.051 245 V CA 2.309 64.589 62.300 -0.034 0.000 1.036 245 V CB -0.520 31.310 31.823 0.012 0.000 0.654 245 V HN 0.548 nan 8.190 nan 0.000 0.451 246 L N -0.481 120.720 121.223 -0.036 0.000 2.012 246 L HA -0.195 4.145 4.340 0.001 0.000 0.210 246 L C 2.385 179.180 176.870 -0.126 0.000 1.073 246 L CA 1.915 56.713 54.840 -0.071 0.000 0.748 246 L CB -0.290 41.721 42.059 -0.080 0.000 0.891 246 L HN 0.350 nan 8.230 nan 0.000 0.431 247 L N -0.534 120.626 121.223 -0.104 0.000 2.012 247 L HA -0.209 4.132 4.340 0.001 0.000 0.210 247 L C 2.352 179.161 176.870 -0.102 0.000 1.073 247 L CA 2.576 57.355 54.840 -0.100 0.000 0.748 247 L CB -1.010 40.730 42.059 -0.533 0.000 0.891 247 L HN 0.278 nan 8.230 nan 0.000 0.431 248 T N -0.380 114.100 114.554 -0.123 0.000 2.652 248 T HA -0.130 4.221 4.350 0.001 0.000 0.267 248 T C 1.656 176.335 174.700 -0.034 0.000 1.039 248 T CA 1.515 63.571 62.100 -0.074 0.000 1.153 248 T CB -1.002 67.828 68.868 -0.062 0.000 0.863 248 T HN 0.614 nan 8.240 nan 0.000 0.428 249 G N 0.993 109.771 108.800 -0.036 0.000 2.408 249 G HA2 -0.089 3.871 3.960 0.001 0.000 0.217 249 G HA3 -0.089 3.871 3.960 0.001 0.000 0.217 249 G C 1.532 176.403 174.900 -0.049 0.000 1.150 249 G CA 0.362 45.463 45.100 0.002 0.000 0.776 249 G HN 0.430 nan 8.290 nan 0.000 0.542 250 L N 1.531 122.626 121.223 -0.215 0.000 2.093 250 L HA -0.111 4.229 4.340 0.001 0.000 0.208 250 L C 3.364 180.002 176.870 -0.386 0.000 1.085 250 L CA 1.457 56.003 54.840 -0.491 0.000 0.755 250 L CB -0.525 40.887 42.059 -1.078 0.000 0.904 250 L HN 0.454 nan 8.230 nan 0.000 0.435 251 S N 0.176 115.800 115.700 -0.126 0.000 2.359 251 S HA -0.250 4.221 4.470 0.001 0.000 0.224 251 S C 1.935 176.612 174.600 0.129 0.000 1.035 251 S CA 1.258 59.482 58.200 0.039 0.000 1.018 251 S CB -0.312 62.917 63.200 0.048 0.000 0.876 251 S HN 0.391 nan 8.310 nan 0.000 0.448 252 K N 1.028 121.510 120.400 0.137 0.000 2.062 252 K HA 0.167 4.488 4.320 0.001 0.000 0.205 252 K C 2.258 179.088 176.600 0.383 0.000 1.051 252 K CA 1.313 57.755 56.287 0.257 0.000 0.941 252 K CB -0.447 32.232 32.500 0.298 0.000 0.719 252 K HN 0.350 nan 8.250 nan 0.000 0.440 253 L N 0.012 121.418 121.223 0.305 0.000 2.056 253 L HA -0.116 4.225 4.340 0.001 0.000 0.207 253 L C 2.329 179.455 176.870 0.427 0.000 1.078 253 L CA 1.341 56.364 54.840 0.306 0.000 0.749 253 L CB -0.489 41.707 42.059 0.229 0.000 0.901 253 L HN 0.158 nan 8.230 nan 0.000 0.433 254 F N -0.565 119.495 119.950 0.182 0.000 2.095 254 F HA -0.312 4.215 4.527 0.001 0.000 0.298 254 F C 3.036 178.945 175.800 0.180 0.000 1.104 254 F CA 1.129 59.243 58.000 0.190 0.000 1.232 254 F CB -0.374 38.774 39.000 0.246 0.000 0.987 254 F HN 0.108 nan 8.300 nan 0.000 0.475 255 S N 0.688 116.620 115.700 0.387 0.000 2.359 255 S HA -0.223 4.247 4.470 0.001 0.000 0.224 255 S C 1.980 176.728 174.600 0.247 0.000 1.035 255 S CA 1.292 59.653 58.200 0.269 0.000 1.018 255 S CB -0.589 62.745 63.200 0.223 0.000 0.876 255 S HN 0.284 nan 8.310 nan 0.000 0.448 256 L N 1.389 122.794 121.223 0.302 0.000 2.013 256 L HA 0.025 4.365 4.340 0.001 0.000 0.212 256 L C 1.960 178.953 176.870 0.205 0.000 1.073 256 L CA 1.933 56.950 54.840 0.294 0.000 0.753 256 L CB -0.574 41.696 42.059 0.351 0.000 0.890 256 L HN 0.439 nan 8.230 nan 0.000 0.432 257 L N -0.568 120.772 121.223 0.196 0.000 2.509 257 L HA 0.221 4.561 4.340 0.001 0.000 0.222 257 L C 1.289 178.234 176.870 0.126 0.000 1.123 257 L CA 0.090 55.026 54.840 0.161 0.000 0.856 257 L CB -0.895 41.263 42.059 0.165 0.000 0.985 257 L HN 0.368 nan 8.230 nan 0.000 0.456 258 G N -0.284 108.591 108.800 0.125 0.000 2.272 258 G HA2 0.313 4.273 3.960 0.001 0.000 0.247 258 G HA3 0.313 4.273 3.960 0.001 0.000 0.247 258 G C 1.108 176.045 174.900 0.062 0.000 1.272 258 G CA 0.406 45.557 45.100 0.085 0.000 0.921 258 G HN 0.410 nan 8.290 nan 0.000 0.495 259 G N 1.300 110.120 108.800 0.032 0.000 2.179 259 G HA2 -0.149 3.812 3.960 0.001 0.000 0.260 259 G HA3 -0.149 3.812 3.960 0.001 0.000 0.260 259 G C 0.697 175.600 174.900 0.005 0.000 0.977 259 G CA 1.279 46.389 45.100 0.016 0.000 0.641 259 G HN 1.802 nan 8.290 nan 0.000 0.533 260 T N -3.346 111.216 114.554 0.012 0.000 2.922 260 T HA 0.791 5.141 4.350 0.001 0.000 0.281 260 T C 1.676 176.321 174.700 -0.093 0.000 1.005 260 T CA 0.478 62.569 62.100 -0.015 0.000 0.982 260 T CB 1.595 70.502 68.868 0.064 0.000 1.158 260 T HN 1.361 nan 8.240 nan 0.000 0.566 261 A N -0.332 122.345 122.820 -0.239 0.000 2.125 261 A HA 0.151 4.471 4.320 0.001 0.000 0.219 261 A C 1.348 178.606 177.584 -0.543 0.000 1.156 261 A CA 0.917 52.676 52.037 -0.464 0.000 0.671 261 A CB -1.074 17.493 19.000 -0.722 0.000 0.794 261 A HN 0.764 nan 8.150 nan 0.000 0.459 262 F N -0.058 119.866 119.950 -0.043 0.000 2.639 262 F HA 0.206 4.734 4.527 0.001 0.000 0.302 262 F C 0.772 176.571 175.800 -0.001 0.000 1.097 262 F CA -0.404 57.587 58.000 -0.015 0.000 1.294 262 F CB 0.149 39.138 39.000 -0.018 0.000 1.027 262 F HN 0.263 nan 8.300 nan 0.000 0.550 263 E N 1.755 122.016 120.200 0.101 0.000 2.481 263 E HA -0.004 4.346 4.350 0.001 0.000 0.263 263 E C -0.185 176.431 176.600 0.026 0.000 0.992 263 E CA -0.222 56.211 56.400 0.055 0.000 0.938 263 E CB 0.905 30.611 29.700 0.011 0.000 0.933 263 E HN -0.046 nan 8.360 nan 0.000 0.453 264 V N 4.919 124.808 119.914 -0.041 0.000 2.450 264 V HA -0.051 4.070 4.120 0.001 0.000 0.281 264 V C 1.106 177.121 176.094 -0.132 0.000 1.019 264 V CA 1.006 63.237 62.300 -0.115 0.000 1.062 264 V CB 0.623 32.209 31.823 -0.396 0.000 0.979 264 V HN 0.754 nan 8.190 nan 0.000 0.477 265 S N 1.501 117.178 115.700 -0.039 0.000 2.603 265 S HA 0.094 4.564 4.470 0.001 0.000 0.232 265 S C 0.377 174.977 174.600 0.000 0.000 1.016 265 S CA -0.466 57.718 58.200 -0.027 0.000 0.976 265 S CB 0.006 63.205 63.200 -0.002 0.000 0.921 265 S HN 0.718 nan 8.310 nan 0.000 0.516 266 D N 4.345 124.770 120.400 0.042 0.000 2.434 266 D HA 0.126 4.766 4.640 0.001 0.000 0.252 266 D C -1.148 175.172 176.300 0.033 0.000 1.185 266 D CA -1.562 52.499 54.000 0.101 0.000 0.886 266 D CB 1.328 42.294 40.800 0.278 0.000 1.148 266 D HN 0.110 nan 8.370 nan 0.000 0.483 267 P HA -0.103 nan 4.420 nan 0.000 0.225 267 P C 1.020 178.313 177.300 -0.013 0.000 1.156 267 P CA 0.862 63.965 63.100 0.005 0.000 0.787 267 P CB -0.154 31.563 31.700 0.028 0.000 0.802 268 T N -1.464 113.126 114.554 0.060 0.000 3.155 268 T HA -0.094 4.256 4.350 0.001 0.000 0.264 268 T C 1.781 176.369 174.700 -0.186 0.000 1.160 268 T CA 0.206 62.359 62.100 0.088 0.000 1.075 268 T CB -0.894 68.125 68.868 0.253 0.000 0.921 268 T HN 0.274 nan 8.240 nan 0.000 0.533 269 R N 1.921 122.077 120.500 -0.573 0.000 2.241 269 R HA -0.065 4.275 4.340 0.001 0.000 0.224 269 R C 2.290 177.996 176.300 -0.989 0.000 1.101 269 R CA 1.424 56.667 56.100 -1.428 0.000 0.995 269 R CB -0.992 28.474 30.300 -1.391 0.000 0.870 269 R HN 0.567 nan 8.270 nan 0.000 0.463 270 S N 1.564 116.996 115.700 -0.447 0.000 2.402 270 S HA -0.188 4.283 4.470 0.001 0.000 0.233 270 S C 1.967 176.514 174.600 -0.089 0.000 1.030 270 S CA 1.367 59.489 58.200 -0.130 0.000 1.003 270 S CB -0.543 62.682 63.200 0.042 0.000 0.813 270 S HN 0.424 nan 8.310 nan 0.000 0.477 271 I N 0.372 120.851 120.570 -0.152 0.000 2.226 271 I HA -0.099 4.071 4.170 0.001 0.000 0.245 271 I C 2.388 178.497 176.117 -0.013 0.000 1.100 271 I CA 1.649 62.889 61.300 -0.099 0.000 1.374 271 I CB -0.479 37.371 38.000 -0.249 0.000 1.057 271 I HN 0.295 nan 8.210 nan 0.000 0.413 272 F N 1.748 121.539 119.950 -0.265 0.000 2.134 272 F HA -0.229 4.298 4.527 0.001 0.000 0.299 272 F C 2.075 177.895 175.800 0.033 0.000 1.097 272 F CA 1.401 59.320 58.000 -0.135 0.000 1.264 272 F CB -0.549 38.261 39.000 -0.317 0.000 1.001 272 F HN -0.084 nan 8.300 nan 0.000 0.479 273 F N 1.123 120.989 119.950 -0.140 0.000 2.171 273 F HA -0.152 4.375 4.527 0.001 0.000 0.300 273 F C 2.365 178.229 175.800 0.105 0.000 1.090 273 F CA 1.279 59.261 58.000 -0.029 0.000 1.293 273 F CB -1.548 37.578 39.000 0.210 0.000 1.013 273 F HN -0.001 nan 8.300 nan 0.000 0.486 274 D N 0.086 120.649 120.400 0.272 0.000 2.221 274 D HA -0.116 4.524 4.640 0.001 0.000 0.204 274 D C 2.273 178.685 176.300 0.186 0.000 0.982 274 D CA 1.245 55.389 54.000 0.240 0.000 0.857 274 D CB -0.442 40.489 40.800 0.217 0.000 0.934 274 D HN 0.249 nan 8.370 nan 0.000 0.475 275 A N 0.315 123.211 122.820 0.126 0.000 2.119 275 A HA -0.049 4.271 4.320 0.001 0.000 0.217 275 A C 2.411 180.067 177.584 0.121 0.000 1.153 275 A CA 0.447 52.552 52.037 0.114 0.000 0.692 275 A CB -0.340 18.749 19.000 0.148 0.000 0.799 275 A HN 0.116 nan 8.150 nan 0.000 0.458 276 V N 0.146 120.051 119.914 -0.014 0.000 2.255 276 V HA -0.282 3.838 4.120 0.001 0.000 0.247 276 V C 2.374 178.469 176.094 0.001 0.000 1.051 276 V CA 2.440 64.635 62.300 -0.175 0.000 1.018 276 V CB -0.603 30.624 31.823 -0.992 0.000 0.641 276 V HN 0.647 nan 8.190 nan 0.000 0.445 277 E N -0.436 119.811 120.200 0.078 0.000 2.250 277 E HA 0.021 4.372 4.350 0.001 0.000 0.192 277 E C 2.230 178.922 176.600 0.153 0.000 0.986 277 E CA 0.738 57.226 56.400 0.147 0.000 0.849 277 E CB -0.088 29.724 29.700 0.187 0.000 0.797 277 E HN 0.633 nan 8.360 nan 0.000 0.482 278 G N 0.235 109.127 108.800 0.153 0.000 2.494 278 G HA2 -0.107 3.853 3.960 0.001 0.000 0.216 278 G HA3 -0.107 3.853 3.960 0.001 0.000 0.216 278 G C 1.548 176.568 174.900 0.201 0.000 1.140 278 G CA 0.429 45.632 45.100 0.173 0.000 0.801 278 G HN 0.090 nan 8.290 nan 0.000 0.536 279 S N -0.662 115.073 115.700 0.059 0.000 2.891 279 S HA 0.270 4.740 4.470 0.001 0.000 0.247 279 S C 1.706 176.117 174.600 -0.316 0.000 1.063 279 S CA -0.241 57.853 58.200 -0.177 0.000 0.857 279 S CB -0.125 62.802 63.200 -0.455 0.000 0.800 279 S HN 0.249 nan 8.310 nan 0.000 0.540 280 F N 2.286 122.204 119.950 -0.053 0.000 2.179 280 F HA 0.241 4.768 4.527 0.000 0.000 0.292 280 F C 2.678 178.406 175.800 -0.120 0.000 1.089 280 F CA 0.760 58.676 58.000 -0.141 0.000 1.295 280 F CB -0.521 38.362 39.000 -0.194 0.000 1.041 280 F HN 0.194 nan 8.300 nan 0.000 0.487 281 A N 0.509 123.447 122.820 0.197 0.000 1.940 281 A HA -0.118 4.203 4.320 0.001 0.000 0.219 281 A C -0.422 177.287 177.584 0.208 0.000 1.176 281 A CA 1.614 53.833 52.037 0.302 0.000 0.631 281 A CB -1.951 17.291 19.000 0.403 0.000 0.814 281 A HN 0.223 nan 8.150 nan 0.000 0.446 282 P HA -0.058 nan 4.420 nan 0.000 0.223 282 P C 1.169 178.493 177.300 0.039 0.000 1.151 282 P CA 1.472 64.657 63.100 0.142 0.000 0.787 282 P CB -0.060 31.807 31.700 0.278 0.000 0.788 283 V N -6.381 113.497 119.914 -0.060 0.000 3.596 283 V HA 0.232 4.352 4.120 0.001 0.000 0.289 283 V C 0.643 176.572 176.094 -0.275 0.000 1.336 283 V CA 0.205 62.394 62.300 -0.185 0.000 1.137 283 V CB -0.837 30.840 31.823 -0.243 0.000 0.966 283 V HN -0.080 nan 8.190 nan 0.000 0.428 284 M N 2.128 121.547 119.600 -0.302 0.000 2.144 284 M HA 0.539 5.019 4.480 0.001 0.000 0.356 284 M C -0.751 175.346 176.300 -0.339 0.000 1.217 284 M CA -0.036 54.942 55.300 -0.536 0.000 1.087 284 M CB 1.271 33.147 32.600 -1.206 0.000 1.609 284 M HN 0.222 nan 8.290 nan 0.000 0.467 285 I N 4.952 125.311 120.570 -0.353 0.000 2.495 285 I HA 0.225 4.395 4.170 0.001 0.000 0.277 285 I C -0.071 176.026 176.117 -0.034 0.000 1.045 285 I CA -0.544 60.643 61.300 -0.188 0.000 1.135 285 I CB 0.842 38.578 38.000 -0.440 0.000 1.241 285 I HN 0.658 nan 8.210 nan 0.000 0.469 286 N N 4.863 123.674 118.700 0.186 0.000 2.721 286 N HA -0.213 4.527 4.740 0.001 0.000 0.249 286 N C 0.985 176.666 175.510 0.286 0.000 1.072 286 N CA 1.400 54.621 53.050 0.285 0.000 0.710 286 N CB -0.863 37.786 38.487 0.270 0.000 0.993 286 N HN 1.175 nan 8.380 nan 0.000 0.547 287 G N -2.566 106.298 108.800 0.107 0.000 2.194 287 G HA2 -0.071 3.890 3.960 0.001 0.000 0.236 287 G HA3 -0.071 3.890 3.960 0.001 0.000 0.236 287 G C 0.089 174.891 174.900 -0.162 0.000 0.987 287 G CA 0.594 45.731 45.100 0.062 0.000 0.635 287 G HN 1.178 nan 8.290 nan 0.000 0.520 288 A N 1.228 123.800 122.820 -0.413 0.000 2.330 288 A HA 0.825 5.145 4.320 0.001 0.000 0.327 288 A C 0.466 177.770 177.584 -0.466 0.000 1.155 288 A CA -0.476 51.170 52.037 -0.653 0.000 0.803 288 A CB 0.660 19.023 19.000 -1.062 0.000 1.208 288 A HN 0.317 nan 8.150 nan 0.000 0.477 289 M N 2.078 121.461 119.600 -0.361 0.000 2.239 289 M HA 0.218 4.698 4.480 0.001 0.000 0.348 289 M C 0.898 177.030 176.300 -0.281 0.000 1.239 289 M CA 0.001 55.122 55.300 -0.297 0.000 1.114 289 M CB 0.364 32.847 32.600 -0.194 0.000 1.641 289 M HN 0.849 nan 8.290 nan 0.000 0.453 290 A N 3.228 125.846 122.820 -0.337 0.000 2.540 290 A HA 0.019 4.340 4.320 0.001 0.000 0.239 290 A C 0.881 178.314 177.584 -0.251 0.000 1.061 290 A CA -0.213 51.601 52.037 -0.372 0.000 0.758 290 A CB -0.040 18.712 19.000 -0.413 0.000 0.991 290 A HN 0.830 nan 8.150 nan 0.000 0.502 291 D N 2.372 122.626 120.400 -0.243 0.000 2.178 291 D HA -0.099 4.541 4.640 0.001 0.000 0.201 291 D C 2.053 178.213 176.300 -0.233 0.000 0.980 291 D CA 1.783 55.679 54.000 -0.174 0.000 0.842 291 D CB -0.180 40.603 40.800 -0.029 0.000 0.948 291 D HN 0.690 nan 8.370 nan 0.000 0.472 292 A N 0.317 122.893 122.820 -0.407 0.000 2.172 292 A HA -0.045 4.275 4.320 0.001 0.000 0.216 292 A C 1.814 179.302 177.584 -0.160 0.000 1.154 292 A CA 1.128 53.039 52.037 -0.210 0.000 0.701 292 A CB -0.161 18.725 19.000 -0.191 0.000 0.789 292 A HN 0.227 nan 8.150 nan 0.000 0.465 293 V N -2.994 116.818 119.914 -0.171 0.000 3.085 293 V HA 0.339 4.459 4.120 0.001 0.000 0.345 293 V C 0.816 176.888 176.094 -0.036 0.000 1.397 293 V CA 0.223 62.446 62.300 -0.128 0.000 1.165 293 V CB -0.774 30.957 31.823 -0.153 0.000 1.153 293 V HN 0.618 nan 8.190 nan 0.000 0.495 294 R N 0.027 120.497 120.500 -0.050 0.000 2.565 294 R HA 0.582 4.922 4.340 0.001 0.000 0.347 294 R C 1.002 177.359 176.300 0.096 0.000 1.010 294 R CA 0.326 56.476 56.100 0.084 0.000 1.126 294 R CB 0.281 30.602 30.300 0.034 0.000 1.331 294 R HN 0.570 nan 8.270 nan 0.000 0.552 295 G N 3.393 112.077 108.800 -0.193 0.000 2.652 295 G HA2 -0.491 3.470 3.960 0.001 0.000 0.318 295 G HA3 -0.491 3.470 3.960 0.001 0.000 0.318 295 G C 0.764 175.662 174.900 -0.003 0.000 1.295 295 G CA 1.033 45.977 45.100 -0.258 0.000 0.999 295 G HN 0.564 nan 8.290 nan 0.000 0.548 296 R N 0.538 121.129 120.500 0.153 0.000 2.285 296 R HA 0.119 4.460 4.340 0.001 0.000 0.213 296 R C 2.472 178.794 176.300 0.037 0.000 1.068 296 R CA 2.135 58.282 56.100 0.078 0.000 1.004 296 R CB -0.438 29.916 30.300 0.090 0.000 0.873 296 R HN 0.856 nan 8.270 nan 0.000 0.467 297 S N 1.947 117.680 115.700 0.057 0.000 2.507 297 S HA -0.102 4.368 4.470 0.001 0.000 0.235 297 S C 2.102 176.696 174.600 -0.010 0.000 0.988 297 S CA 0.712 58.917 58.200 0.008 0.000 0.944 297 S CB -0.676 62.521 63.200 -0.005 0.000 0.762 297 S HN 0.614 nan 8.310 nan 0.000 0.526 298 I N 1.490 122.002 120.570 -0.096 0.000 2.399 298 I HA -0.135 4.036 4.170 0.001 0.000 0.254 298 I C 2.182 178.299 176.117 0.001 0.000 1.146 298 I CA 1.562 62.719 61.300 -0.237 0.000 1.412 298 I CB -1.006 36.449 38.000 -0.907 0.000 1.076 298 I HN 0.438 nan 8.210 nan 0.000 0.432 299 S N 0.652 116.394 115.700 0.070 0.000 2.603 299 S HA 0.136 4.606 4.470 0.001 0.000 0.220 299 S C 0.868 175.684 174.600 0.360 0.000 0.967 299 S CA -0.407 57.983 58.200 0.316 0.000 0.920 299 S CB -0.398 62.892 63.200 0.152 0.000 0.773 299 S HN 0.505 nan 8.310 nan 0.000 0.529 300 R N 1.987 122.554 120.500 0.111 0.000 2.207 300 R HA 0.228 4.569 4.340 0.001 0.000 0.334 300 R C 1.282 177.299 176.300 -0.471 0.000 1.013 300 R CA -0.073 55.961 56.100 -0.110 0.000 0.858 300 R CB 0.804 31.051 30.300 -0.088 0.000 1.094 300 R HN 0.606 nan 8.270 nan 0.000 0.457 301 E N 2.548 122.192 120.200 -0.927 0.000 2.204 301 E HA -0.177 4.173 4.350 0.001 0.000 0.195 301 E C 0.612 176.851 176.600 -0.601 0.000 0.990 301 E CA 1.433 56.978 56.400 -1.425 0.000 0.821 301 E CB 0.143 28.874 29.700 -1.615 0.000 0.750 301 E HN 0.527 nan 8.360 nan 0.000 0.477 302 A N 1.003 123.609 122.820 -0.357 0.000 2.631 302 A HA 0.182 4.502 4.320 0.001 0.000 0.294 302 A C 0.096 177.602 177.584 -0.129 0.000 1.156 302 A CA -0.526 51.394 52.037 -0.195 0.000 0.963 302 A CB -0.091 18.813 19.000 -0.159 0.000 1.202 302 A HN 0.248 nan 8.150 nan 0.000 0.523 303 N N 1.076 119.703 118.700 -0.123 0.000 2.725 303 N HA 0.121 4.862 4.740 0.001 0.000 0.248 303 N C -0.303 175.188 175.510 -0.031 0.000 1.402 303 N CA 0.328 53.333 53.050 -0.074 0.000 0.766 303 N CB 0.827 39.260 38.487 -0.090 0.000 1.223 303 N HN 0.349 nan 8.380 nan 0.000 0.515 304 T N -2.033 112.532 114.554 0.018 0.000 2.884 304 T HA 0.406 4.757 4.350 0.001 0.000 0.277 304 T C 1.635 176.384 174.700 0.082 0.000 0.976 304 T CA -0.139 62.024 62.100 0.105 0.000 0.956 304 T CB 1.274 70.264 68.868 0.204 0.000 1.113 304 T HN 0.186 nan 8.240 nan 0.000 0.554 305 G N -0.867 107.992 108.800 0.098 0.000 2.450 305 G HA2 -0.132 3.829 3.960 0.001 0.000 0.220 305 G HA3 -0.132 3.829 3.960 0.001 0.000 0.220 305 G C 1.059 175.856 174.900 -0.171 0.000 1.130 305 G CA 0.534 45.596 45.100 -0.064 0.000 0.760 305 G HN 0.797 nan 8.290 nan 0.000 0.557 306 Y N 1.032 121.388 120.300 0.094 0.000 2.263 306 Y HA -0.016 4.535 4.550 0.000 0.000 0.292 306 Y C 2.682 178.585 175.900 0.006 0.000 1.130 306 Y CA 1.037 59.175 58.100 0.063 0.000 1.179 306 Y CB 0.077 38.611 38.460 0.123 0.000 0.998 306 Y HN 0.117 nan 8.280 nan 0.000 0.532 307 D N 0.286 120.763 120.400 0.129 0.000 2.104 307 D HA -0.176 4.464 4.640 0.001 0.000 0.194 307 D C 2.140 178.430 176.300 -0.016 0.000 0.994 307 D CA 1.386 55.409 54.000 0.037 0.000 0.830 307 D CB -0.371 40.434 40.800 0.009 0.000 0.959 307 D HN 0.326 nan 8.370 nan 0.000 0.452 308 L N 0.546 121.743 121.223 -0.042 0.000 2.072 308 L HA -0.012 4.329 4.340 0.001 0.000 0.205 308 L C 2.648 179.443 176.870 -0.125 0.000 1.079 308 L CA 1.199 55.987 54.840 -0.086 0.000 0.752 308 L CB -0.586 41.421 42.059 -0.087 0.000 0.906 308 L HN 0.059 nan 8.230 nan 0.000 0.436 309 G N -0.402 108.311 108.800 -0.146 0.000 2.422 309 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 309 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 309 G C 1.764 176.581 174.900 -0.138 0.000 1.146 309 G CA 0.797 45.769 45.100 -0.212 0.000 0.769 309 G HN 0.453 nan 8.290 nan 0.000 0.547 310 A N 0.753 123.543 122.820 -0.050 0.000 1.902 310 A HA 0.029 4.350 4.320 0.001 0.000 0.217 310 A C 2.701 180.254 177.584 -0.052 0.000 1.181 310 A CA 2.207 54.233 52.037 -0.019 0.000 0.623 310 A CB -0.573 18.435 19.000 0.013 0.000 0.818 310 A HN 0.304 nan 8.150 nan 0.000 0.443 311 S N -0.097 115.559 115.700 -0.074 0.000 2.368 311 S HA -0.033 4.437 4.470 0.001 0.000 0.225 311 S C 2.302 176.824 174.600 -0.131 0.000 1.030 311 S CA 1.128 59.274 58.200 -0.090 0.000 0.999 311 S CB -0.452 62.693 63.200 -0.091 0.000 0.844 311 S HN 0.795 nan 8.310 nan 0.000 0.459 312 A N 1.451 124.162 122.820 -0.182 0.000 1.902 312 A HA -0.064 4.256 4.320 0.001 0.000 0.217 312 A C 2.070 179.541 177.584 -0.188 0.000 1.181 312 A CA 1.240 53.117 52.037 -0.268 0.000 0.623 312 A CB -0.709 18.080 19.000 -0.351 0.000 0.818 312 A HN 0.478 nan 8.150 nan 0.000 0.443 313 I N -0.702 119.807 120.570 -0.102 0.000 2.179 313 I HA -0.269 3.902 4.170 0.001 0.000 0.242 313 I C 2.580 178.697 176.117 -0.000 0.000 1.088 313 I CA 1.807 63.119 61.300 0.020 0.000 1.357 313 I CB -0.338 37.711 38.000 0.082 0.000 1.051 313 I HN 0.548 nan 8.210 nan 0.000 0.409 314 E N 1.248 121.432 120.200 -0.026 0.000 2.070 314 E HA -0.296 4.055 4.350 0.001 0.000 0.197 314 E C 2.236 178.821 176.600 -0.025 0.000 1.004 314 E CA 1.621 58.008 56.400 -0.021 0.000 0.805 314 E CB -0.061 29.620 29.700 -0.033 0.000 0.744 314 E HN 0.499 nan 8.360 nan 0.000 0.451 315 A N 0.923 123.704 122.820 -0.065 0.000 1.877 315 A HA -0.154 4.166 4.320 0.001 0.000 0.216 315 A C 2.194 179.741 177.584 -0.062 0.000 1.186 315 A CA 1.448 53.443 52.037 -0.070 0.000 0.620 315 A CB -0.638 18.280 19.000 -0.135 0.000 0.822 315 A HN 0.345 nan 8.150 nan 0.000 0.443 316 I N -0.213 120.290 120.570 -0.113 0.000 2.226 316 I HA -0.272 3.898 4.170 0.001 0.000 0.245 316 I C 2.384 178.543 176.117 0.070 0.000 1.100 316 I CA 1.107 62.339 61.300 -0.114 0.000 1.374 316 I CB -0.351 37.552 38.000 -0.161 0.000 1.057 316 I HN 0.300 nan 8.210 nan 0.000 0.413 317 L N -0.188 121.076 121.223 0.069 0.000 2.012 317 L HA -0.241 4.099 4.340 0.001 0.000 0.210 317 L C 2.593 179.520 176.870 0.095 0.000 1.073 317 L CA 1.067 55.962 54.840 0.092 0.000 0.748 317 L CB -0.602 41.494 42.059 0.062 0.000 0.891 317 L HN 0.296 nan 8.230 nan 0.000 0.431 318 L N -0.160 121.108 121.223 0.075 0.000 2.046 318 L HA -0.188 4.152 4.340 0.001 0.000 0.208 318 L C 2.296 179.245 176.870 0.132 0.000 1.077 318 L CA 1.704 56.595 54.840 0.086 0.000 0.747 318 L CB -0.400 41.702 42.059 0.071 0.000 0.896 318 L HN 0.093 nan 8.230 nan 0.000 0.432 319 L N -0.639 120.685 121.223 0.168 0.000 2.141 319 L HA -0.124 4.216 4.340 0.001 0.000 0.209 319 L C 2.628 179.642 176.870 0.241 0.000 1.094 319 L CA 1.003 55.995 54.840 0.253 0.000 0.763 319 L CB -0.811 41.429 42.059 0.303 0.000 0.908 319 L HN 0.367 nan 8.230 nan 0.000 0.437 320 A N 0.124 123.111 122.820 0.278 0.000 2.024 320 A HA -0.217 4.103 4.320 0.001 0.000 0.220 320 A C 2.329 179.903 177.584 -0.016 0.000 1.164 320 A CA 1.374 53.493 52.037 0.135 0.000 0.643 320 A CB -0.480 18.630 19.000 0.183 0.000 0.806 320 A HN 0.346 nan 8.150 nan 0.000 0.451 321 R N -0.686 119.833 120.500 0.031 0.000 2.159 321 R HA -0.099 4.241 4.340 0.001 0.000 0.237 321 R C 1.920 178.204 176.300 -0.027 0.000 1.131 321 R CA 1.202 57.305 56.100 0.005 0.000 0.982 321 R CB -0.310 30.012 30.300 0.037 0.000 0.868 321 R HN 0.502 nan 8.270 nan 0.000 0.453 322 A N -0.162 122.636 122.820 -0.037 0.000 2.308 322 A HA 0.192 4.512 4.320 0.001 0.000 0.217 322 A C 0.471 177.954 177.584 -0.169 0.000 1.216 322 A CA -0.062 51.937 52.037 -0.062 0.000 0.864 322 A CB 0.253 19.258 19.000 0.008 0.000 0.902 322 A HN -0.005 nan 8.150 nan 0.000 0.499 323 M N 1.691 121.131 119.600 -0.266 0.000 2.283 323 M HA 0.189 4.670 4.480 0.001 0.000 0.314 323 M C -0.029 176.095 176.300 -0.293 0.000 1.153 323 M CA -1.013 54.041 55.300 -0.410 0.000 1.084 323 M CB 0.220 32.394 32.600 -0.711 0.000 1.468 323 M HN 0.489 nan 8.290 nan 0.000 0.474 324 D N 1.283 121.509 120.400 -0.290 0.000 2.390 324 D HA 0.015 4.655 4.640 0.001 0.000 0.236 324 D C -2.112 174.056 176.300 -0.221 0.000 1.189 324 D CA -1.009 52.865 54.000 -0.210 0.000 0.887 324 D CB 0.163 40.853 40.800 -0.183 0.000 1.198 324 D HN 0.232 nan 8.370 nan 0.000 0.444 325 P HA -0.147 nan 4.420 nan 0.000 0.215 325 P C 1.366 178.569 177.300 -0.161 0.000 1.153 325 P CA 2.175 65.189 63.100 -0.143 0.000 0.853 325 P CB -0.024 31.617 31.700 -0.098 0.000 0.788 326 A N -0.996 121.730 122.820 -0.157 0.000 1.902 326 A HA -0.166 4.154 4.320 0.001 0.000 0.217 326 A C 2.256 179.704 177.584 -0.226 0.000 1.181 326 A CA 2.386 54.332 52.037 -0.152 0.000 0.623 326 A CB -1.842 17.087 19.000 -0.119 0.000 0.818 326 A HN 0.156 nan 8.150 nan 0.000 0.443 327 T N 0.226 114.582 114.554 -0.331 0.000 2.777 327 T HA 0.035 4.385 4.350 0.001 0.000 0.266 327 T C 2.240 176.501 174.700 -0.730 0.000 1.040 327 T CA 1.437 63.181 62.100 -0.593 0.000 1.141 327 T CB -0.439 67.986 68.868 -0.738 0.000 0.868 327 T HN 0.585 nan 8.240 nan 0.000 0.444 328 A N 1.620 124.125 122.820 -0.526 0.000 1.883 328 A HA 0.085 4.405 4.320 0.001 0.000 0.217 328 A C 2.644 180.116 177.584 -0.187 0.000 1.186 328 A CA 1.959 53.785 52.037 -0.352 0.000 0.624 328 A CB -1.169 17.689 19.000 -0.236 0.000 0.822 328 A HN 0.509 nan 8.150 nan 0.000 0.444 329 A N -0.501 122.223 122.820 -0.159 0.000 1.930 329 A HA -0.108 4.212 4.320 0.001 0.000 0.217 329 A C 2.162 179.705 177.584 -0.068 0.000 1.175 329 A CA 2.074 54.054 52.037 -0.094 0.000 0.627 329 A CB -0.420 18.527 19.000 -0.088 0.000 0.815 329 A HN 0.481 nan 8.150 nan 0.000 0.443 330 R N -0.872 119.574 120.500 -0.091 0.000 2.073 330 R HA -0.158 4.183 4.340 0.001 0.000 0.234 330 R C 1.724 178.092 176.300 0.113 0.000 1.134 330 R CA 1.973 58.064 56.100 -0.015 0.000 0.952 330 R CB -0.758 29.532 30.300 -0.017 0.000 0.850 330 R HN 0.625 nan 8.270 nan 0.000 0.433 331 W N 0.986 122.234 121.300 -0.087 0.000 2.358 331 W HA -0.008 4.653 4.660 0.000 0.000 0.303 331 W C 2.212 178.672 176.519 -0.097 0.000 1.208 331 W CA 1.089 58.386 57.345 -0.079 0.000 1.274 331 W CB -0.785 28.640 29.460 -0.058 0.000 1.138 331 W HN 0.193 nan 8.180 nan 0.000 0.515 332 R N -0.479 120.102 120.500 0.135 0.000 2.081 332 R HA -0.097 4.243 4.340 0.001 0.000 0.235 332 R C 2.568 178.851 176.300 -0.027 0.000 1.131 332 R CA 1.601 57.728 56.100 0.044 0.000 0.960 332 R CB -1.198 29.113 30.300 0.018 0.000 0.856 332 R HN 0.213 nan 8.270 nan 0.000 0.436 333 G N 1.080 109.849 108.800 -0.052 0.000 2.418 333 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 333 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 333 G C 1.433 176.197 174.900 -0.226 0.000 1.158 333 G CA 0.495 45.530 45.100 -0.108 0.000 0.771 333 G HN 0.118 nan 8.290 nan 0.000 0.545 334 L N 0.066 121.112 121.223 -0.295 0.000 2.013 334 L HA -0.187 4.154 4.340 0.001 0.000 0.212 334 L C 3.074 179.375 176.870 -0.948 0.000 1.073 334 L CA 1.216 55.610 54.840 -0.744 0.000 0.753 334 L CB -0.657 40.935 42.059 -0.778 0.000 0.890 334 L HN 0.265 nan 8.230 nan 0.000 0.432 335 C N -0.497 118.572 119.300 -0.385 0.000 2.446 335 C HA -0.091 4.369 4.460 0.001 0.000 0.277 335 C C 3.139 178.117 174.990 -0.020 0.000 1.275 335 C CA 0.541 59.553 59.018 -0.011 0.000 1.727 335 C CB -1.069 26.738 27.740 0.112 0.000 2.010 335 C HN 0.621 nan 8.230 nan 0.000 0.486 336 A N 0.815 123.586 122.820 -0.083 0.000 1.933 336 A HA 0.059 4.379 4.320 0.001 0.000 0.218 336 A C 2.366 179.912 177.584 -0.063 0.000 1.175 336 A CA 2.052 54.060 52.037 -0.048 0.000 0.628 336 A CB -1.112 17.856 19.000 -0.054 0.000 0.814 336 A HN 0.556 nan 8.150 nan 0.000 0.444 337 G N -1.407 107.291 108.800 -0.171 0.000 2.404 337 G HA2 -0.207 3.753 3.960 0.001 0.000 0.215 337 G HA3 -0.207 3.753 3.960 0.001 0.000 0.215 337 G C 1.344 176.226 174.900 -0.030 0.000 1.174 337 G CA 0.852 45.856 45.100 -0.159 0.000 0.780 337 G HN 0.579 nan 8.290 nan 0.000 0.537 338 W N 0.768 122.079 121.300 0.019 0.000 2.374 338 W HA 0.102 4.762 4.660 0.000 0.000 0.288 338 W C 2.393 178.941 176.519 0.049 0.000 1.218 338 W CA 0.135 57.499 57.345 0.031 0.000 1.245 338 W CB -0.717 28.752 29.460 0.014 0.000 1.126 338 W HN 0.213 nan 8.180 nan 0.000 0.545 339 I N 0.046 120.754 120.570 0.230 0.000 2.193 339 I HA -0.211 3.960 4.170 0.001 0.000 0.240 339 I C 2.595 178.774 176.117 0.103 0.000 1.084 339 I CA 1.478 62.865 61.300 0.145 0.000 1.365 339 I CB -0.942 37.114 38.000 0.093 0.000 1.064 339 I HN -0.203 nan 8.210 nan 0.000 0.410 340 A N 0.767 123.630 122.820 0.072 0.000 1.930 340 A HA -0.155 4.165 4.320 0.001 0.000 0.217 340 A C 2.330 179.953 177.584 0.065 0.000 1.175 340 A CA 1.326 53.392 52.037 0.048 0.000 0.627 340 A CB -0.507 18.505 19.000 0.020 0.000 0.815 340 A HN 0.320 nan 8.150 nan 0.000 0.443 341 R N -0.561 119.995 120.500 0.094 0.000 2.236 341 R HA -0.034 4.306 4.340 0.001 0.000 0.208 341 R C -0.140 176.242 176.300 0.137 0.000 1.036 341 R CA 0.725 56.891 56.100 0.109 0.000 1.001 341 R CB -0.082 30.294 30.300 0.127 0.000 0.896 341 R HN 0.408 nan 8.270 nan 0.000 0.464 342 D N 0.889 121.382 120.400 0.154 0.000 2.468 342 D HA -0.004 4.637 4.640 0.001 0.000 0.218 342 D C 0.677 177.029 176.300 0.086 0.000 1.155 342 D CA -0.032 54.066 54.000 0.163 0.000 0.924 342 D CB 0.989 41.922 40.800 0.221 0.000 1.029 342 D HN 0.090 nan 8.370 nan 0.000 0.515 343 T N 0.331 114.932 114.554 0.079 0.000 3.107 343 T HA -0.064 4.287 4.350 0.001 0.000 0.249 343 T C 1.510 176.224 174.700 0.024 0.000 1.096 343 T CA 0.055 62.179 62.100 0.041 0.000 1.012 343 T CB -0.351 68.543 68.868 0.044 0.000 0.977 343 T HN 0.390 nan 8.240 nan 0.000 0.527 344 Y N 2.013 122.239 120.300 -0.124 0.000 2.301 344 Y HA 0.396 4.946 4.550 0.001 0.000 0.295 344 Y C 0.904 176.650 175.900 -0.257 0.000 1.119 344 Y CA 0.157 58.138 58.100 -0.199 0.000 1.162 344 Y CB 0.537 38.843 38.460 -0.257 0.000 1.046 344 Y HN -0.081 nan 8.280 nan 0.000 0.538 345 R N 1.479 121.695 120.500 -0.474 0.000 2.629 345 R HA 0.317 4.657 4.340 0.001 0.000 0.277 345 R C -2.976 173.216 176.300 -0.180 0.000 1.637 345 R CA -2.189 53.651 56.100 -0.434 0.000 1.663 345 R CB 0.308 30.313 30.300 -0.492 0.000 1.228 345 R HN 0.174 nan 8.270 nan 0.000 0.632 346 P HA 0.017 nan 4.420 nan 0.000 0.263 346 P C 1.213 178.487 177.300 -0.044 0.000 1.175 346 P CA 0.152 63.219 63.100 -0.056 0.000 0.761 346 P CB 0.760 32.425 31.700 -0.058 0.000 0.794 347 I N 3.068 123.633 120.570 -0.009 0.000 2.361 347 I HA -0.218 3.952 4.170 0.001 0.000 0.251 347 I C 1.457 177.551 176.117 -0.040 0.000 1.133 347 I CA 1.351 62.647 61.300 -0.007 0.000 1.413 347 I CB 0.049 38.061 38.000 0.019 0.000 1.073 347 I HN 0.339 nan 8.210 nan 0.000 0.424 348 L N 0.321 121.510 121.223 -0.055 0.000 2.395 348 L HA -0.053 4.287 4.340 0.001 0.000 0.218 348 L C 0.359 177.181 176.870 -0.079 0.000 1.130 348 L CA 0.020 54.811 54.840 -0.082 0.000 0.826 348 L CB -0.738 41.261 42.059 -0.099 0.000 0.941 348 L HN 0.235 nan 8.230 nan 0.000 0.451 349 N N 0.402 119.059 118.700 -0.072 0.000 2.452 349 N HA 0.011 4.752 4.740 0.001 0.000 0.266 349 N C 0.810 176.280 175.510 -0.067 0.000 1.209 349 N CA 0.338 53.344 53.050 -0.073 0.000 0.929 349 N CB 1.006 39.441 38.487 -0.086 0.000 1.063 349 N HN -0.033 nan 8.380 nan 0.000 0.472 350 S N -1.361 114.303 115.700 -0.060 0.000 3.270 350 S HA -0.236 4.235 4.470 0.001 0.000 0.293 350 S C 0.380 174.950 174.600 -0.051 0.000 1.278 350 S CA 0.853 59.023 58.200 -0.051 0.000 1.038 350 S CB -1.521 61.649 63.200 -0.050 0.000 1.218 350 S HN 0.915 nan 8.310 nan 0.000 0.659 351 A N 1.903 124.687 122.820 -0.061 0.000 2.445 351 A HA 0.567 4.887 4.320 0.001 0.000 0.242 351 A C 0.930 178.480 177.584 -0.057 0.000 1.075 351 A CA 0.402 52.401 52.037 -0.063 0.000 0.777 351 A CB 0.224 19.173 19.000 -0.086 0.000 1.013 351 A HN 1.239 nan 8.150 nan 0.000 0.493 352 S N 1.402 117.075 115.700 -0.045 0.000 2.587 352 S HA 0.176 4.647 4.470 0.001 0.000 0.260 352 S C 1.187 175.774 174.600 -0.021 0.000 1.353 352 S CA -0.072 58.111 58.200 -0.028 0.000 0.995 352 S CB 0.484 63.668 63.200 -0.027 0.000 0.912 352 S HN 0.789 nan 8.310 nan 0.000 0.568 353 V N 2.028 121.958 119.914 0.026 0.000 2.295 353 V HA -0.061 4.059 4.120 0.001 0.000 0.246 353 V C -0.618 175.535 176.094 0.098 0.000 1.049 353 V CA 1.804 64.168 62.300 0.108 0.000 1.024 353 V CB -2.087 29.827 31.823 0.152 0.000 0.648 353 V HN 0.717 nan 8.190 nan 0.000 0.447 354 P HA -0.185 nan 4.420 nan 0.000 0.215 354 P C 1.775 179.077 177.300 0.003 0.000 1.153 354 P CA 1.569 64.681 63.100 0.020 0.000 0.853 354 P CB -0.093 31.588 31.700 -0.031 0.000 0.788 355 R N -0.760 119.724 120.500 -0.026 0.000 2.073 355 R HA -0.097 4.243 4.340 0.001 0.000 0.234 355 R C 1.954 178.208 176.300 -0.077 0.000 1.134 355 R CA 2.079 58.153 56.100 -0.043 0.000 0.952 355 R CB -0.988 29.283 30.300 -0.049 0.000 0.850 355 R HN 0.083 nan 8.270 nan 0.000 0.433 356 T N 0.720 115.190 114.554 -0.139 0.000 2.684 356 T HA -0.168 4.183 4.350 0.001 0.000 0.267 356 T C 1.824 176.359 174.700 -0.276 0.000 1.036 356 T CA 1.496 63.408 62.100 -0.313 0.000 1.148 356 T CB -0.377 68.139 68.868 -0.586 0.000 0.863 356 T HN 0.483 nan 8.240 nan 0.000 0.436 357 A N 1.030 123.819 122.820 -0.050 0.000 1.908 357 A HA -0.018 4.302 4.320 0.001 0.000 0.218 357 A C 2.316 179.942 177.584 0.070 0.000 1.181 357 A CA 1.325 53.468 52.037 0.176 0.000 0.627 357 A CB -0.871 18.296 19.000 0.278 0.000 0.818 357 A HN 0.473 nan 8.150 nan 0.000 0.445 358 L N -0.691 120.549 121.223 0.028 0.000 2.093 358 L HA -0.139 4.201 4.340 0.001 0.000 0.208 358 L C 2.518 179.393 176.870 0.009 0.000 1.085 358 L CA 0.909 55.764 54.840 0.024 0.000 0.755 358 L CB -0.386 41.684 42.059 0.019 0.000 0.904 358 L HN 0.248 nan 8.230 nan 0.000 0.435 359 V N -0.433 119.468 119.914 -0.021 0.000 2.343 359 V HA -0.251 3.870 4.120 0.001 0.000 0.247 359 V C 2.559 178.637 176.094 -0.026 0.000 1.051 359 V CA 1.501 63.785 62.300 -0.027 0.000 1.036 359 V CB -0.528 31.264 31.823 -0.052 0.000 0.654 359 V HN 0.376 nan 8.190 nan 0.000 0.451 360 K N -0.014 120.362 120.400 -0.039 0.000 2.057 360 K HA -0.230 4.090 4.320 0.001 0.000 0.207 360 K C 2.186 178.802 176.600 0.027 0.000 1.049 360 K CA 1.716 58.001 56.287 -0.004 0.000 0.931 360 K CB -0.385 32.134 32.500 0.031 0.000 0.714 360 K HN 0.606 nan 8.250 nan 0.000 0.440 361 Q N 0.947 120.771 119.800 0.039 0.000 2.061 361 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 361 Q C 2.211 178.223 176.000 0.021 0.000 0.984 361 Q CA 1.331 57.156 55.803 0.036 0.000 0.846 361 Q CB -0.146 28.616 28.738 0.040 0.000 0.902 361 Q HN 0.169 nan 8.270 nan 0.000 0.421 362 L N 1.338 122.572 121.223 0.017 0.000 1.989 362 L HA -0.229 4.111 4.340 0.001 0.000 0.211 362 L C 2.313 179.185 176.870 0.004 0.000 1.071 362 L CA 2.576 57.423 54.840 0.012 0.000 0.749 362 L CB -0.792 41.276 42.059 0.015 0.000 0.890 362 L HN 0.412 nan 8.230 nan 0.000 0.431 363 E N -0.577 119.624 120.200 0.002 0.000 2.097 363 E HA -0.278 4.072 4.350 0.001 0.000 0.196 363 E C 1.976 178.576 176.600 0.001 0.000 1.000 363 E CA 1.363 57.763 56.400 -0.001 0.000 0.804 363 E CB -0.242 29.456 29.700 -0.003 0.000 0.740 363 E HN 0.645 nan 8.360 nan 0.000 0.454 364 A N 0.474 123.298 122.820 0.007 0.000 2.014 364 A HA -0.132 4.188 4.320 0.001 0.000 0.218 364 A C 2.342 179.926 177.584 0.001 0.000 1.163 364 A CA 1.784 53.826 52.037 0.007 0.000 0.652 364 A CB -0.967 18.042 19.000 0.015 0.000 0.808 364 A HN 0.535 nan 8.150 nan 0.000 0.449 365 T N -3.337 111.216 114.554 -0.001 0.000 2.929 365 T HA 0.168 4.519 4.350 0.001 0.000 0.271 365 T C 1.700 176.392 174.700 -0.012 0.000 1.085 365 T CA 1.414 63.510 62.100 -0.008 0.000 1.125 365 T CB -0.800 68.062 68.868 -0.010 0.000 0.874 365 T HN 1.674 nan 8.240 nan 0.000 0.494 366 G N 0.732 109.525 108.800 -0.011 0.000 2.186 366 G HA2 -0.270 3.691 3.960 0.001 0.000 0.266 366 G HA3 -0.270 3.691 3.960 0.001 0.000 0.266 366 G C 0.226 175.114 174.900 -0.020 0.000 0.982 366 G CA 0.236 45.328 45.100 -0.014 0.000 0.670 366 G HN 0.811 nan 8.290 nan 0.000 0.533 367 V N 1.211 121.111 119.914 -0.022 0.000 2.557 367 V HA 0.361 4.481 4.120 0.001 0.000 0.301 367 V C 1.294 177.367 176.094 -0.034 0.000 1.026 367 V CA 0.395 62.677 62.300 -0.030 0.000 1.137 367 V CB 0.405 32.209 31.823 -0.031 0.000 0.917 367 V HN 1.052 nan 8.190 nan 0.000 0.484 368 A N 9.083 131.879 122.820 -0.039 0.000 2.351 368 A HA 0.599 4.919 4.320 0.001 0.000 0.257 368 A C -1.881 175.667 177.584 -0.060 0.000 1.087 368 A CA -1.278 50.734 52.037 -0.042 0.000 0.798 368 A CB 0.000 18.977 19.000 -0.039 0.000 1.033 368 A HN 0.720 nan 8.150 nan 0.000 0.488 369 P HA 0.263 nan 4.420 nan 0.000 0.276 369 P C -0.785 176.451 177.300 -0.106 0.000 1.230 369 P CA -0.032 63.013 63.100 -0.091 0.000 0.776 369 P CB 0.934 32.593 31.700 -0.068 0.000 0.888 370 V N 3.111 122.930 119.914 -0.159 0.000 2.407 370 V HA 0.415 4.535 4.120 0.001 0.000 0.278 370 V C 0.894 176.882 176.094 -0.175 0.000 1.037 370 V CA -0.697 61.508 62.300 -0.160 0.000 0.900 370 V CB 0.983 32.698 31.823 -0.180 0.000 0.983 370 V HN 0.731 nan 8.190 nan 0.000 0.459 371 A N 4.232 126.981 122.820 -0.117 0.000 2.386 371 A HA 0.362 4.683 4.320 0.001 0.000 0.248 371 A C 0.323 177.851 177.584 -0.094 0.000 1.082 371 A CA -0.366 51.616 52.037 -0.092 0.000 0.789 371 A CB 0.070 19.031 19.000 -0.065 0.000 1.025 371 A HN 0.862 nan 8.150 nan 0.000 0.490 372 E N 1.006 121.169 120.200 -0.062 0.000 2.299 372 E HA 0.344 4.694 4.350 0.001 0.000 0.272 372 E C 0.315 176.875 176.600 -0.067 0.000 1.043 372 E CA -0.071 56.309 56.400 -0.033 0.000 0.895 372 E CB 0.760 30.471 29.700 0.019 0.000 1.011 372 E HN 0.717 nan 8.360 nan 0.000 0.432 373 A N 3.586 126.368 122.820 -0.063 0.000 2.477 373 A HA 0.107 4.428 4.320 0.001 0.000 0.246 373 A C 0.674 178.181 177.584 -0.129 0.000 1.078 373 A CA -0.418 51.569 52.037 -0.082 0.000 0.770 373 A CB 0.027 18.990 19.000 -0.062 0.000 1.011 373 A HN 0.672 nan 8.150 nan 0.000 0.494 374 T N 0.485 114.948 114.554 -0.151 0.000 2.900 374 T HA 0.568 4.918 4.350 0.001 0.000 0.307 374 T C 0.776 175.340 174.700 -0.227 0.000 1.065 374 T CA 0.381 62.349 62.100 -0.220 0.000 1.105 374 T CB 0.906 69.661 68.868 -0.189 0.000 0.979 374 T HN 2.580 nan 8.240 nan 0.000 0.544 375 G N 1.036 109.627 108.800 -0.348 0.000 2.342 375 G HA2 0.109 4.069 3.960 0.001 0.000 0.220 375 G HA3 0.109 4.069 3.960 0.001 0.000 0.220 375 G C -1.344 173.226 174.900 -0.549 0.000 1.243 375 G CA -0.828 43.989 45.100 -0.471 0.000 1.083 375 G HN 1.094 nan 8.290 nan 0.000 0.500 376 H N 0.808 119.873 119.070 -0.008 0.000 2.538 376 H HA 0.657 5.213 4.556 0.000 0.000 0.353 376 H C -0.420 174.835 175.328 -0.122 0.000 1.109 376 H CA -0.449 55.581 56.048 -0.031 0.000 1.192 376 H CB 1.964 31.771 29.762 0.075 0.000 1.555 376 H HN 0.381 nan 8.280 nan 0.000 0.518 377 K N 3.711 124.042 120.400 -0.114 0.000 2.579 377 K HA 0.381 4.702 4.320 0.001 0.000 0.250 377 K C -0.566 175.783 176.600 -0.419 0.000 0.952 377 K CA -0.452 55.677 56.287 -0.263 0.000 0.857 377 K CB 2.188 34.562 32.500 -0.211 0.000 1.123 377 K HN 0.472 nan 8.250 nan 0.000 0.433 378 L N 2.911 123.850 121.223 -0.472 0.000 2.325 378 L HA 0.568 4.908 4.340 0.001 0.000 0.278 378 L C -0.312 176.193 176.870 -0.608 0.000 1.023 378 L CA -0.862 53.760 54.840 -0.362 0.000 0.811 378 L CB 0.697 42.664 42.059 -0.154 0.000 1.249 378 L HN 0.451 nan 8.230 nan 0.000 0.431 379 F N 2.580 122.503 119.950 -0.045 0.000 2.531 379 F HA 0.313 4.841 4.527 0.001 0.000 0.333 379 F C -1.663 174.098 175.800 -0.066 0.000 1.292 379 F CA -1.393 56.573 58.000 -0.055 0.000 1.184 379 F CB 0.665 39.623 39.000 -0.071 0.000 1.426 379 F HN 0.317 nan 8.300 nan 0.000 0.559 380 P HA -0.215 nan 4.420 nan 0.000 0.218 380 P C 1.644 178.926 177.300 -0.031 0.000 1.148 380 P CA 1.388 64.501 63.100 0.023 0.000 0.822 380 P CB 0.252 31.957 31.700 0.008 0.000 0.784 381 A N 0.291 123.048 122.820 -0.104 0.000 2.019 381 A HA -0.111 4.209 4.320 0.001 0.000 0.219 381 A C 1.906 179.269 177.584 -0.367 0.000 1.164 381 A CA 1.786 53.624 52.037 -0.331 0.000 0.644 381 A CB -1.214 17.344 19.000 -0.737 0.000 0.805 381 A HN 0.372 nan 8.150 nan 0.000 0.449 382 M N -3.504 115.965 119.600 -0.218 0.000 2.484 382 M HA 0.339 4.819 4.480 0.001 0.000 0.307 382 M C -0.705 175.554 176.300 -0.067 0.000 1.149 382 M CA 0.025 55.221 55.300 -0.173 0.000 0.972 382 M CB 0.215 32.702 32.600 -0.188 0.000 1.400 382 M HN 0.003 nan 8.290 nan 0.000 0.508 383 D N 2.367 122.759 120.400 -0.014 0.000 2.689 383 D HA -0.119 4.522 4.640 0.001 0.000 0.237 383 D C -0.774 175.546 176.300 0.034 0.000 1.148 383 D CA 0.828 54.848 54.000 0.033 0.000 0.656 383 D CB -0.468 40.349 40.800 0.029 0.000 1.050 383 D HN 0.508 nan 8.370 nan 0.000 0.426 384 R N -0.443 120.094 120.500 0.061 0.000 2.686 384 R HA 0.736 5.077 4.340 0.001 0.000 0.283 384 R C 0.318 176.696 176.300 0.131 0.000 0.978 384 R CA -0.547 55.591 56.100 0.063 0.000 0.897 384 R CB 1.991 32.296 30.300 0.008 0.000 1.192 384 R HN 0.205 nan 8.270 nan 0.000 0.457 385 T N -1.306 113.283 114.554 0.059 0.000 2.903 385 T HA 0.708 5.058 4.350 0.001 0.000 0.299 385 T C -0.238 174.361 174.700 -0.169 0.000 1.093 385 T CA -0.897 61.183 62.100 -0.034 0.000 1.002 385 T CB 1.767 70.640 68.868 0.007 0.000 1.127 385 T HN 0.190 nan 8.240 nan 0.000 0.488 386 M N 2.627 122.006 119.600 -0.368 0.000 2.395 386 M HA 0.461 4.942 4.480 0.001 0.000 0.307 386 M C -1.067 174.885 176.300 -0.581 0.000 1.091 386 M CA -0.514 54.596 55.300 -0.316 0.000 0.919 386 M CB 1.981 34.532 32.600 -0.082 0.000 1.662 386 M HN 0.829 nan 8.290 nan 0.000 0.440 387 H N 1.934 121.073 119.070 0.114 0.000 2.865 387 H HA 0.587 5.143 4.556 0.001 0.000 0.362 387 H C -0.858 174.406 175.328 -0.107 0.000 1.114 387 H CA -0.683 55.438 56.048 0.122 0.000 1.208 387 H CB 2.355 32.362 29.762 0.408 0.000 1.727 387 H HN 0.555 nan 8.280 nan 0.000 0.534 388 R N 0.918 121.214 120.500 -0.340 0.000 2.750 388 R HA 0.672 5.012 4.340 0.001 0.000 0.281 388 R C -0.242 175.381 176.300 -1.129 0.000 0.972 388 R CA -0.877 54.775 56.100 -0.746 0.000 0.912 388 R CB 2.846 32.899 30.300 -0.411 0.000 1.187 388 R HN 0.784 nan 8.270 nan 0.000 0.464 389 G N 1.361 109.068 108.800 -1.822 0.000 2.788 389 G HA2 0.492 4.452 3.960 0.001 0.000 0.293 389 G HA3 0.492 4.452 3.960 0.001 0.000 0.293 389 G C -2.914 171.550 174.900 -0.727 0.000 1.392 389 G CA -1.411 43.086 45.100 -1.005 0.000 0.810 389 G HN 0.235 nan 8.290 nan 0.000 0.508 390 P HA 0.276 nan 4.420 nan 0.000 0.264 390 P C 0.848 178.173 177.300 0.041 0.000 1.229 390 P CA 1.638 64.695 63.100 -0.072 0.000 0.780 390 P CB 0.779 32.489 31.700 0.018 0.000 0.808 391 G N 1.948 110.761 108.800 0.022 0.000 2.175 391 G HA2 -0.140 3.820 3.960 0.001 0.000 0.244 391 G HA3 -0.140 3.820 3.960 0.001 0.000 0.244 391 G C -0.396 174.673 174.900 0.281 0.000 0.982 391 G CA -0.164 45.024 45.100 0.146 0.000 0.641 391 G HN 0.606 nan 8.290 nan 0.000 0.527 392 W N -1.397 119.974 121.300 0.120 0.000 3.137 392 W HA 0.790 5.450 4.660 0.001 0.000 0.324 392 W C -0.728 175.917 176.519 0.209 0.000 1.253 392 W CA -1.513 55.953 57.345 0.200 0.000 1.183 392 W CB 1.173 30.768 29.460 0.225 0.000 1.424 392 W HN 1.040 nan 8.180 nan 0.000 0.566 393 A N 3.163 126.306 122.820 0.539 0.000 2.375 393 A HA 0.616 4.937 4.320 0.001 0.000 0.295 393 A C -2.073 175.849 177.584 0.563 0.000 1.066 393 A CA -0.682 51.567 52.037 0.354 0.000 0.722 393 A CB 1.642 20.713 19.000 0.119 0.000 1.206 393 A HN 0.709 nan 8.150 nan 0.000 0.435 394 L N 2.633 124.197 121.223 0.569 0.000 2.275 394 L HA 0.750 5.090 4.340 0.001 0.000 0.288 394 L C 0.152 177.146 176.870 0.207 0.000 1.046 394 L CA 0.243 55.251 54.840 0.278 0.000 0.805 394 L CB 1.632 43.816 42.059 0.209 0.000 1.193 394 L HN 0.600 nan 8.230 nan 0.000 0.426 395 S N 6.055 121.828 115.700 0.122 0.000 2.498 395 S HA 0.640 5.110 4.470 0.001 0.000 0.317 395 S C -0.752 173.878 174.600 0.049 0.000 1.090 395 S CA -0.726 57.504 58.200 0.049 0.000 1.089 395 S CB 0.344 63.514 63.200 -0.051 0.000 0.997 395 S HN 0.640 nan 8.310 nan 0.000 0.470 396 L N 3.965 125.170 121.223 -0.029 0.000 2.307 396 L HA 0.740 5.080 4.340 0.001 0.000 0.282 396 L C 0.185 177.013 176.870 -0.070 0.000 1.051 396 L CA -0.761 53.977 54.840 -0.170 0.000 0.804 396 L CB 1.576 43.391 42.059 -0.407 0.000 1.197 396 L HN 0.786 nan 8.230 nan 0.000 0.431 397 A N 5.499 128.309 122.820 -0.016 0.000 2.323 397 A HA 0.736 5.056 4.320 0.001 0.000 0.305 397 A C -0.504 177.115 177.584 0.058 0.000 1.275 397 A CA -0.482 51.595 52.037 0.066 0.000 0.804 397 A CB 0.488 19.612 19.000 0.208 0.000 1.152 397 A HN 0.641 nan 8.150 nan 0.000 0.487 398 L N 1.405 122.656 121.223 0.048 0.000 2.421 398 L HA 0.866 5.206 4.340 0.001 0.000 0.267 398 L C 0.617 177.532 176.870 0.074 0.000 1.036 398 L CA -0.811 54.084 54.840 0.092 0.000 0.829 398 L CB 1.762 43.886 42.059 0.108 0.000 1.437 398 L HN 0.758 nan 8.230 nan 0.000 0.488 399 S N -0.970 114.759 115.700 0.049 0.000 2.625 399 S HA 0.887 5.358 4.470 0.001 0.000 0.271 399 S C -0.825 173.722 174.600 -0.089 0.000 1.161 399 S CA -0.238 57.926 58.200 -0.059 0.000 0.820 399 S CB 1.925 65.030 63.200 -0.159 0.000 1.137 399 S HN 0.937 nan 8.310 nan 0.000 0.470 400 S N -0.092 115.512 115.700 -0.159 0.000 2.683 400 S HA 0.371 4.842 4.470 0.001 0.000 0.269 400 S C 0.021 174.535 174.600 -0.143 0.000 1.165 400 S CA -0.270 57.872 58.200 -0.097 0.000 0.840 400 S CB -0.086 63.131 63.200 0.028 0.000 1.169 400 S HN 1.070 nan 8.310 nan 0.000 0.490 401 N N 0.236 118.901 118.700 -0.057 0.000 2.573 401 N HA -0.001 4.739 4.740 0.001 0.000 0.187 401 N C 1.176 176.666 175.510 -0.033 0.000 1.107 401 N CA 0.669 53.690 53.050 -0.048 0.000 0.918 401 N CB -0.314 38.182 38.487 0.015 0.000 0.966 401 N HN 0.554 nan 8.380 nan 0.000 0.448 402 R N -0.800 119.683 120.500 -0.028 0.000 2.254 402 R HA 0.318 4.658 4.340 0.001 0.000 0.193 402 R C -0.304 175.968 176.300 -0.046 0.000 0.929 402 R CA 0.189 56.276 56.100 -0.022 0.000 1.038 402 R CB 0.672 30.967 30.300 -0.008 0.000 1.009 402 R HN 0.200 nan 8.270 nan 0.000 0.512 403 I N 0.885 121.408 120.570 -0.078 0.000 2.499 403 I HA 0.330 4.500 4.170 0.001 0.000 0.288 403 I C -0.075 175.967 176.117 -0.124 0.000 1.048 403 I CA -1.258 59.996 61.300 -0.076 0.000 1.062 403 I CB 1.483 39.445 38.000 -0.063 0.000 1.238 403 I HN -0.009 nan 8.210 nan 0.000 0.426 404 A N 5.993 128.775 122.820 -0.064 0.000 2.425 404 A HA 0.168 4.489 4.320 0.001 0.000 0.242 404 A C 1.022 178.642 177.584 0.061 0.000 1.077 404 A CA -0.149 51.871 52.037 -0.028 0.000 0.781 404 A CB 0.187 19.241 19.000 0.089 0.000 1.020 404 A HN 0.818 nan 8.150 nan 0.000 0.494 405 W N -0.052 121.342 121.300 0.157 0.000 2.321 405 W HA -0.084 4.576 4.660 0.000 0.000 0.306 405 W C 0.693 177.388 176.519 0.294 0.000 1.217 405 W CA 2.454 59.922 57.345 0.206 0.000 1.257 405 W CB -0.787 28.812 29.460 0.231 0.000 1.145 405 W HN 0.793 nan 8.180 nan 0.000 0.509 406 Y N -3.198 117.263 120.300 0.268 0.000 2.702 406 Y HA 0.448 4.998 4.550 0.001 0.000 0.336 406 Y C -1.267 174.690 175.900 0.096 0.000 1.203 406 Y CA -1.567 56.611 58.100 0.128 0.000 1.072 406 Y CB 0.703 39.218 38.460 0.093 0.000 1.327 406 Y HN -0.191 nan 8.280 nan 0.000 0.456 407 E N 2.215 122.367 120.200 -0.080 0.000 2.151 407 E HA 0.611 4.961 4.350 0.001 0.000 0.275 407 E C -1.188 175.221 176.600 -0.319 0.000 0.936 407 E CA -0.794 55.487 56.400 -0.198 0.000 0.777 407 E CB 1.316 31.073 29.700 0.094 0.000 1.108 407 E HN 0.876 nan 8.360 nan 0.000 0.401 408 C N 2.074 121.027 119.300 -0.579 0.000 2.614 408 C HA 1.074 5.534 4.460 0.001 0.000 0.320 408 C C 0.279 174.801 174.990 -0.778 0.000 1.200 408 C CA -0.134 58.603 59.018 -0.469 0.000 1.700 408 C CB 0.468 28.013 27.740 -0.325 0.000 2.275 408 C HN 0.829 nan 8.230 nan 0.000 0.492 409 G N 1.547 109.912 108.800 -0.725 0.000 2.404 409 G HA2 0.474 4.434 3.960 0.001 0.000 0.298 409 G HA3 0.474 4.434 3.960 0.001 0.000 0.298 409 G C -0.773 173.883 174.900 -0.406 0.000 1.577 409 G CA -0.569 43.842 45.100 -1.148 0.000 0.847 409 G HN 1.128 nan 8.290 nan 0.000 0.598 410 N N -0.824 117.821 118.700 -0.091 0.000 2.708 410 N HA -0.179 4.562 4.740 0.001 0.000 0.249 410 N C 1.538 177.045 175.510 -0.006 0.000 1.097 410 N CA 2.852 55.941 53.050 0.064 0.000 0.710 410 N CB -1.063 37.513 38.487 0.150 0.000 1.032 410 N HN 2.461 nan 8.380 nan 0.000 0.551 411 G N -1.069 107.701 108.800 -0.050 0.000 2.143 411 G HA2 -0.310 3.651 3.960 0.001 0.000 0.248 411 G HA3 -0.310 3.651 3.960 0.001 0.000 0.248 411 G C -0.372 174.506 174.900 -0.036 0.000 0.991 411 G CA 0.575 45.654 45.100 -0.035 0.000 0.689 411 G HN 0.589 nan 8.290 nan 0.000 0.522 412 E N -0.386 119.773 120.200 -0.067 0.000 2.187 412 E HA 0.510 4.860 4.350 0.001 0.000 0.268 412 E C 0.568 177.134 176.600 -0.056 0.000 0.896 412 E CA -0.774 55.602 56.400 -0.040 0.000 0.766 412 E CB 1.221 30.905 29.700 -0.027 0.000 1.142 412 E HN 0.151 nan 8.360 nan 0.000 0.408 413 N N 2.098 120.784 118.700 -0.024 0.000 2.776 413 N HA -0.172 4.569 4.740 0.001 0.000 0.250 413 N C 0.092 175.612 175.510 0.018 0.000 1.112 413 N CA 0.480 53.522 53.050 -0.014 0.000 0.733 413 N CB -1.088 37.406 38.487 0.012 0.000 1.097 413 N HN 0.488 nan 8.380 nan 0.000 0.558 414 N N -0.126 118.556 118.700 -0.030 0.000 2.443 414 N HA -0.095 4.646 4.740 0.001 0.000 0.184 414 N C 1.467 176.973 175.510 -0.006 0.000 1.037 414 N CA 0.837 53.909 53.050 0.037 0.000 0.896 414 N CB -0.099 38.380 38.487 -0.015 0.000 0.959 414 N HN 0.512 nan 8.380 nan 0.000 0.442 415 R N -0.023 120.292 120.500 -0.308 0.000 2.393 415 R HA 0.177 4.517 4.340 0.001 0.000 0.244 415 R C 1.094 176.705 176.300 -1.148 0.000 0.920 415 R CA -0.124 55.515 56.100 -0.769 0.000 1.076 415 R CB 0.126 29.851 30.300 -0.958 0.000 1.119 415 R HN 0.034 nan 8.270 nan 0.000 0.524 416 G N 0.183 108.612 108.800 -0.617 0.000 3.327 416 G HA2 -0.119 3.841 3.960 0.001 0.000 0.240 416 G HA3 -0.119 3.841 3.960 0.001 0.000 0.240 416 G C 0.527 174.936 174.900 -0.817 0.000 1.222 416 G CA -0.312 44.569 45.100 -0.364 0.000 0.871 416 G HN 0.432 nan 8.290 nan 0.000 0.525 417 Y N -1.716 117.947 120.300 -1.062 0.000 2.497 417 Y HA 0.020 4.570 4.550 0.001 0.000 0.292 417 Y C 1.870 177.372 175.900 -0.664 0.000 1.137 417 Y CA 0.101 57.380 58.100 -1.369 0.000 1.285 417 Y CB -0.459 37.315 38.460 -1.143 0.000 0.991 417 Y HN 0.336 nan 8.280 nan 0.000 0.556 418 H N 0.039 119.072 119.070 -0.061 0.000 2.586 418 H HA 0.139 4.695 4.556 0.001 0.000 0.273 418 H C 1.695 177.089 175.328 0.109 0.000 0.997 418 H CA 0.925 57.017 56.048 0.072 0.000 1.177 418 H CB -0.044 29.771 29.762 0.089 0.000 1.471 418 H HN 0.562 nan 8.280 nan 0.000 0.538 419 T N -2.253 112.413 114.554 0.186 0.000 3.072 419 T HA -0.021 4.329 4.350 0.001 0.000 0.266 419 T C 1.887 176.733 174.700 0.244 0.000 1.127 419 T CA 0.904 63.144 62.100 0.234 0.000 1.107 419 T CB -0.182 68.812 68.868 0.209 0.000 0.910 419 T HN 0.299 nan 8.240 nan 0.000 0.513 420 G N 0.196 109.159 108.800 0.271 0.000 3.605 420 G HA2 0.337 4.297 3.960 0.001 0.000 0.277 420 G HA3 0.337 4.297 3.960 0.001 0.000 0.277 420 G C 0.568 175.641 174.900 0.287 0.000 1.093 420 G CA -0.469 44.787 45.100 0.260 0.000 0.821 420 G HN 0.451 nan 8.290 nan 0.000 0.532 421 S N 0.600 116.478 115.700 0.296 0.000 2.602 421 S HA 0.428 4.899 4.470 0.001 0.000 0.246 421 S C 1.338 176.113 174.600 0.291 0.000 1.009 421 S CA 0.232 58.611 58.200 0.298 0.000 1.052 421 S CB 0.114 63.495 63.200 0.301 0.000 0.778 421 S HN 1.130 nan 8.310 nan 0.000 0.455 422 G N 2.295 111.274 108.800 0.298 0.000 2.255 422 G HA2 -0.218 3.742 3.960 0.001 0.000 0.239 422 G HA3 -0.218 3.742 3.960 0.001 0.000 0.239 422 G C -0.061 175.011 174.900 0.285 0.000 1.083 422 G CA -0.514 44.832 45.100 0.410 0.000 0.826 422 G HN 0.442 nan 8.290 nan 0.000 0.493 423 M N 1.188 120.867 119.600 0.132 0.000 2.245 423 M HA 0.301 4.782 4.480 0.001 0.000 0.344 423 M C 1.091 177.367 176.300 -0.041 0.000 1.170 423 M CA 1.121 56.438 55.300 0.028 0.000 1.135 423 M CB 0.565 33.125 32.600 -0.066 0.000 1.574 423 M HN 0.497 nan 8.290 nan 0.000 0.452 424 T N 0.638 115.170 114.554 -0.036 0.000 3.042 424 T HA 0.421 4.771 4.350 0.001 0.000 0.356 424 T C -0.950 173.681 174.700 -0.116 0.000 1.233 424 T CA -0.671 61.377 62.100 -0.086 0.000 1.038 424 T CB -0.295 68.655 68.868 0.137 0.000 1.089 424 T HN 0.351 nan 8.240 nan 0.000 0.531 425 Y N 2.439 122.621 120.300 -0.198 0.000 2.452 425 Y HA 0.433 4.983 4.550 0.001 0.000 0.348 425 Y C -0.050 175.836 175.900 -0.023 0.000 0.985 425 Y CA -1.447 56.538 58.100 -0.192 0.000 1.214 425 Y CB 0.308 38.569 38.460 -0.333 0.000 1.136 425 Y HN 0.593 nan 8.280 nan 0.000 0.523 426 F N 3.786 124.008 119.950 0.452 0.000 2.303 426 F HA 0.289 4.817 4.527 0.001 0.000 0.368 426 F C -0.439 175.673 175.800 0.521 0.000 1.105 426 F CA -1.049 57.254 58.000 0.504 0.000 1.153 426 F CB -0.049 39.242 39.000 0.484 0.000 1.362 426 F HN 0.392 nan 8.300 nan 0.000 0.511 427 Y N 1.525 122.168 120.300 0.571 0.000 2.346 427 Y HA 0.408 4.959 4.550 0.001 0.000 0.330 427 Y C 0.983 177.130 175.900 0.412 0.000 1.178 427 Y CA -0.266 58.100 58.100 0.443 0.000 1.331 427 Y CB 0.934 39.577 38.460 0.306 0.000 1.253 427 Y HN 0.616 nan 8.280 nan 0.000 0.529 428 T N -3.375 111.442 114.554 0.437 0.000 2.647 428 T HA 0.224 4.574 4.350 0.001 0.000 0.295 428 T C 0.845 175.686 174.700 0.235 0.000 1.126 428 T CA -0.252 62.051 62.100 0.338 0.000 1.040 428 T CB 0.631 69.687 68.868 0.313 0.000 1.472 428 T HN 0.434 nan 8.240 nan 0.000 0.500 429 S N -0.604 115.200 115.700 0.174 0.000 2.500 429 S HA -0.058 4.413 4.470 0.001 0.000 0.239 429 S C 0.688 175.335 174.600 0.079 0.000 0.989 429 S CA 1.117 59.389 58.200 0.120 0.000 0.951 429 S CB -0.917 62.338 63.200 0.092 0.000 0.759 429 S HN 0.791 nan 8.310 nan 0.000 0.523 430 D N 1.424 121.871 120.400 0.077 0.000 2.498 430 D HA 0.177 4.817 4.640 0.001 0.000 0.229 430 D C 0.898 177.167 176.300 -0.053 0.000 1.188 430 D CA -0.127 53.875 54.000 0.004 0.000 1.028 430 D CB -0.420 40.403 40.800 0.039 0.000 1.087 430 D HN 0.327 nan 8.370 nan 0.000 0.510 431 L N 1.767 122.927 121.223 -0.105 0.000 2.131 431 L HA -0.007 4.333 4.340 0.001 0.000 0.210 431 L C 2.227 178.847 176.870 -0.416 0.000 1.092 431 L CA 1.139 55.919 54.840 -0.101 0.000 0.759 431 L CB -0.067 41.971 42.059 -0.036 0.000 0.903 431 L HN 0.429 nan 8.230 nan 0.000 0.435 432 G N -1.348 106.939 108.800 -0.854 0.000 3.088 432 G HA2 -0.116 3.844 3.960 0.001 0.000 0.212 432 G HA3 -0.116 3.844 3.960 0.001 0.000 0.212 432 G C 1.274 176.066 174.900 -0.180 0.000 1.173 432 G CA -0.054 44.529 45.100 -0.862 0.000 0.779 432 G HN 0.220 nan 8.290 nan 0.000 0.540 433 Q N 0.705 120.368 119.800 -0.230 0.000 2.062 433 Q HA -0.219 4.121 4.340 0.001 0.000 0.209 433 Q C 1.394 176.990 176.000 -0.673 0.000 0.996 433 Q CA 1.842 57.358 55.803 -0.477 0.000 0.859 433 Q CB -0.477 27.789 28.738 -0.786 0.000 0.920 433 Q HN 0.644 nan 8.270 nan 0.000 0.415 434 Y N -1.274 118.854 120.300 -0.288 0.000 2.457 434 Y HA 0.189 4.739 4.550 0.001 0.000 0.263 434 Y C 1.110 177.061 175.900 0.085 0.000 1.164 434 Y CA 0.255 58.101 58.100 -0.424 0.000 1.274 434 Y CB 0.434 38.620 38.460 -0.457 0.000 1.097 434 Y HN 0.258 nan 8.280 nan 0.000 0.523 435 D N -0.262 120.321 120.400 0.305 0.000 2.380 435 D HA -0.084 4.556 4.640 0.001 0.000 0.212 435 D C 0.234 176.835 176.300 0.500 0.000 1.021 435 D CA 0.363 54.659 54.000 0.493 0.000 0.884 435 D CB 0.242 41.419 40.800 0.628 0.000 1.001 435 D HN 0.023 nan 8.370 nan 0.000 0.506 436 D N 0.077 120.706 120.400 0.381 0.000 2.619 436 D HA 0.346 4.987 4.640 0.001 0.000 0.224 436 D C 0.268 176.760 176.300 0.320 0.000 1.133 436 D CA 0.362 54.590 54.000 0.379 0.000 1.017 436 D CB -0.551 40.478 40.800 0.382 0.000 1.077 436 D HN 0.249 nan 8.370 nan 0.000 0.503 437 A N 2.414 125.500 122.820 0.443 0.000 2.826 437 A HA -0.323 3.997 4.320 0.001 0.000 0.274 437 A C 1.311 178.952 177.584 0.096 0.000 1.443 437 A CA 1.089 53.312 52.037 0.312 0.000 0.833 437 A CB -2.748 16.360 19.000 0.179 0.000 1.023 437 A HN 0.625 nan 8.150 nan 0.000 0.600 438 F N -1.050 118.917 119.950 0.028 0.000 2.095 438 F HA -0.067 4.460 4.527 0.000 0.000 0.298 438 F C 1.721 177.369 175.800 -0.254 0.000 1.104 438 F CA 2.714 60.619 58.000 -0.158 0.000 1.232 438 F CB -0.261 38.556 39.000 -0.305 0.000 0.987 438 F HN 0.494 nan 8.300 nan 0.000 0.475 439 W N -0.293 121.100 121.300 0.156 0.000 2.699 439 W HA 0.132 4.792 4.660 0.001 0.000 0.249 439 W C 2.233 178.515 176.519 -0.396 0.000 1.280 439 W CA 0.625 57.952 57.345 -0.029 0.000 1.345 439 W CB -0.476 29.193 29.460 0.348 0.000 1.128 439 W HN 0.078 nan 8.180 nan 0.000 0.642 440 A N -0.308 122.110 122.820 -0.671 0.000 2.081 440 A HA -0.033 4.288 4.320 0.001 0.000 0.214 440 A C 1.888 179.288 177.584 -0.307 0.000 1.158 440 A CA 1.689 53.294 52.037 -0.720 0.000 0.724 440 A CB -0.712 17.538 19.000 -1.251 0.000 0.826 440 A HN 0.228 nan 8.150 nan 0.000 0.463 441 T N -4.039 110.356 114.554 -0.264 0.000 2.959 441 T HA 0.570 4.921 4.350 0.001 0.000 0.254 441 T C 0.879 175.367 174.700 -0.352 0.000 1.003 441 T CA 0.570 62.562 62.100 -0.179 0.000 0.950 441 T CB -0.331 68.530 68.868 -0.012 0.000 1.090 441 T HN 0.532 nan 8.240 nan 0.000 0.503 442 A N 2.346 124.801 122.820 -0.608 0.000 2.448 442 A HA 0.450 4.770 4.320 0.001 0.000 0.239 442 A C 0.442 177.683 177.584 -0.571 0.000 1.080 442 A CA -0.434 51.032 52.037 -0.952 0.000 0.779 442 A CB -0.185 17.914 19.000 -1.501 0.000 1.026 442 A HN 0.400 nan 8.150 nan 0.000 0.499 443 N N 0.681 119.100 118.700 -0.469 0.000 2.402 443 N HA 0.094 4.835 4.740 0.001 0.000 0.252 443 N C -0.052 175.230 175.510 -0.379 0.000 1.118 443 N CA 0.141 52.919 53.050 -0.453 0.000 0.945 443 N CB -0.131 37.942 38.487 -0.690 0.000 1.147 443 N HN 0.551 nan 8.380 nan 0.000 0.495 444 Y N 1.858 122.036 120.300 -0.204 0.000 2.574 444 Y HA 0.007 4.558 4.550 0.001 0.000 0.294 444 Y C 1.246 177.148 175.900 0.002 0.000 1.142 444 Y CA 0.657 58.702 58.100 -0.091 0.000 1.314 444 Y CB 0.135 38.518 38.460 -0.129 0.000 0.991 444 Y HN 0.550 nan 8.280 nan 0.000 0.555 445 N N -0.205 118.509 118.700 0.023 0.000 2.236 445 N HA 0.094 4.834 4.740 0.001 0.000 0.196 445 N C 0.252 175.571 175.510 -0.319 0.000 1.114 445 N CA 0.346 53.338 53.050 -0.096 0.000 0.859 445 N CB 0.336 38.783 38.487 -0.067 0.000 0.982 445 N HN 0.324 nan 8.380 nan 0.000 0.493 446 R N 0.419 120.685 120.500 -0.389 0.000 2.635 446 R HA 0.312 4.653 4.340 0.001 0.000 0.393 446 R C -0.465 175.572 176.300 -0.437 0.000 1.070 446 R CA -0.230 55.580 56.100 -0.483 0.000 1.118 446 R CB 0.655 30.559 30.300 -0.659 0.000 1.341 446 R HN -0.026 nan 8.270 nan 0.000 0.628 447 L N 2.937 124.018 121.223 -0.237 0.000 2.461 447 L HA 0.193 4.534 4.340 0.001 0.000 0.272 447 L C -1.726 175.128 176.870 -0.026 0.000 1.197 447 L CA -1.599 53.190 54.840 -0.085 0.000 0.836 447 L CB 0.144 42.196 42.059 -0.013 0.000 1.105 447 L HN -0.119 nan 8.230 nan 0.000 0.477 448 P HA -0.006 nan 4.420 nan 0.000 0.264 448 P C 0.716 178.065 177.300 0.083 0.000 1.193 448 P CA 0.810 63.955 63.100 0.074 0.000 0.763 448 P CB 0.982 32.748 31.700 0.111 0.000 0.810 449 G N 3.100 111.992 108.800 0.154 0.000 2.268 449 G HA2 -0.258 3.703 3.960 0.001 0.000 0.240 449 G HA3 -0.258 3.703 3.960 0.001 0.000 0.240 449 G C 0.350 175.394 174.900 0.240 0.000 1.010 449 G CA 0.206 45.479 45.100 0.289 0.000 0.618 449 G HN 0.732 nan 8.290 nan 0.000 0.516 450 I N 0.217 120.863 120.570 0.127 0.000 3.004 450 I HA 0.654 4.825 4.170 0.001 0.000 0.287 450 I C 0.198 176.355 176.117 0.067 0.000 1.144 450 I CA -0.080 61.295 61.300 0.124 0.000 1.353 450 I CB 0.858 38.893 38.000 0.058 0.000 1.417 450 I HN 0.015 nan 8.210 nan 0.000 0.602 451 T N 4.369 118.983 114.554 0.099 0.000 2.867 451 T HA 0.551 4.901 4.350 0.001 0.000 0.282 451 T C -0.604 174.099 174.700 0.005 0.000 1.000 451 T CA -0.484 61.657 62.100 0.069 0.000 1.042 451 T CB 1.715 70.660 68.868 0.129 0.000 0.973 451 T HN 0.573 nan 8.240 nan 0.000 0.465 452 V N 3.210 123.093 119.914 -0.051 0.000 2.711 452 V HA 0.359 4.480 4.120 0.001 0.000 0.304 452 V C -1.334 174.698 176.094 -0.103 0.000 1.097 452 V CA -0.945 61.256 62.300 -0.165 0.000 0.906 452 V CB 1.959 33.546 31.823 -0.394 0.000 1.015 452 V HN 0.929 nan 8.190 nan 0.000 0.427 453 D N 4.138 124.500 120.400 -0.063 0.000 2.348 453 D HA 0.114 4.755 4.640 0.001 0.000 0.253 453 D C 1.253 177.513 176.300 -0.067 0.000 1.161 453 D CA 0.556 54.530 54.000 -0.043 0.000 0.876 453 D CB 2.093 42.881 40.800 -0.020 0.000 1.160 453 D HN 0.846 nan 8.370 nan 0.000 0.459 454 T N 0.261 114.768 114.554 -0.078 0.000 3.160 454 T HA -0.018 4.332 4.350 0.001 0.000 0.257 454 T C 0.836 175.493 174.700 -0.071 0.000 1.147 454 T CA -0.174 61.869 62.100 -0.095 0.000 1.064 454 T CB -0.435 68.365 68.868 -0.114 0.000 0.949 454 T HN 0.272 nan 8.240 nan 0.000 0.526 455 T N 4.929 119.446 114.554 -0.061 0.000 2.866 455 T HA 0.182 4.532 4.350 0.001 0.000 0.293 455 T C -2.334 172.319 174.700 -0.079 0.000 1.005 455 T CA -0.606 61.453 62.100 -0.070 0.000 1.162 455 T CB 0.350 69.172 68.868 -0.077 0.000 0.968 455 T HN 0.282 nan 8.240 nan 0.000 0.530 456 P HA 0.236 nan 4.420 nan 0.000 0.268 456 P C -0.552 176.640 177.300 -0.180 0.000 1.204 456 P CA -0.147 62.894 63.100 -0.099 0.000 0.768 456 P CB 0.462 32.114 31.700 -0.079 0.000 0.842 457 L N 4.978 126.014 121.223 -0.311 0.000 2.334 457 L HA 0.552 4.892 4.340 0.001 0.000 0.273 457 L C -1.968 174.656 176.870 -0.410 0.000 1.013 457 L CA -2.294 52.237 54.840 -0.515 0.000 0.816 457 L CB 1.751 43.172 42.059 -1.065 0.000 1.278 457 L HN 0.247 nan 8.230 nan 0.000 0.431 458 P HA 0.134 nan 4.420 nan 0.000 0.277 458 P C -1.163 176.099 177.300 -0.064 0.000 1.240 458 P CA -0.567 62.448 63.100 -0.142 0.000 0.798 458 P CB 0.634 32.268 31.700 -0.111 0.000 0.979 459 D N 1.871 122.298 120.400 0.046 0.000 2.525 459 D HA -0.047 4.593 4.640 0.001 0.000 0.235 459 D C 0.765 177.117 176.300 0.087 0.000 1.137 459 D CA 0.811 54.878 54.000 0.111 0.000 0.868 459 D CB 0.020 40.842 40.800 0.036 0.000 1.180 459 D HN 0.361 nan 8.370 nan 0.000 0.465 460 K N -1.415 119.091 120.400 0.177 0.000 3.281 460 K HA -0.186 4.135 4.320 0.001 0.000 0.295 460 K C 0.041 176.705 176.600 0.106 0.000 1.233 460 K CA -0.028 56.338 56.287 0.131 0.000 0.866 460 K CB -1.609 30.897 32.500 0.010 0.000 1.265 460 K HN 0.302 nan 8.250 nan 0.000 0.482 461 V N 2.037 122.003 119.914 0.087 0.000 2.814 461 V HA -0.124 3.996 4.120 0.001 0.000 0.307 461 V C 1.333 177.461 176.094 0.056 0.000 1.089 461 V CA 1.476 63.747 62.300 -0.047 0.000 1.212 461 V CB 0.511 32.157 31.823 -0.295 0.000 0.912 461 V HN 0.573 nan 8.190 nan 0.000 0.497 462 E N 2.554 122.747 120.200 -0.011 0.000 3.799 462 E HA -0.212 4.138 4.350 0.001 0.000 0.320 462 E C 0.561 177.215 176.600 0.089 0.000 0.760 462 E CA 1.383 57.818 56.400 0.059 0.000 1.153 462 E CB -1.837 27.918 29.700 0.092 0.000 1.589 462 E HN 2.113 nan 8.360 nan 0.000 0.448 463 G N 0.174 108.995 108.800 0.035 0.000 2.699 463 G HA2 -0.199 3.761 3.960 0.001 0.000 0.686 463 G HA3 -0.199 3.761 3.960 0.001 0.000 0.686 463 G C -0.469 174.362 174.900 -0.115 0.000 1.301 463 G CA -0.055 45.041 45.100 -0.007 0.000 0.816 463 G HN 0.094 nan 8.290 nan 0.000 0.595 464 Q N -0.873 118.833 119.800 -0.156 0.000 2.317 464 Q HA 0.445 4.785 4.340 0.001 0.000 0.229 464 Q C 0.226 176.105 176.000 -0.202 0.000 0.984 464 Q CA 0.243 55.812 55.803 -0.390 0.000 0.911 464 Q CB 0.591 28.990 28.738 -0.566 0.000 1.217 464 Q HN 0.905 nan 8.270 nan 0.000 0.501 465 W N -0.356 120.904 121.300 -0.067 0.000 4.435 465 W HA -0.216 4.444 4.660 0.001 0.000 0.351 465 W C 0.980 177.497 176.519 -0.002 0.000 1.319 465 W CA 0.133 57.462 57.345 -0.025 0.000 0.791 465 W CB -2.094 27.324 29.460 -0.069 0.000 2.419 465 W HN 1.065 nan 8.180 nan 0.000 1.406 466 G N -0.860 107.982 108.800 0.071 0.000 2.225 466 G HA2 -0.105 3.855 3.960 0.001 0.000 0.267 466 G HA3 -0.105 3.855 3.960 0.001 0.000 0.267 466 G C 1.091 176.065 174.900 0.124 0.000 1.024 466 G CA 0.527 45.683 45.100 0.093 0.000 0.784 466 G HN 1.343 nan 8.290 nan 0.000 0.507 467 A N -1.160 121.735 122.820 0.124 0.000 2.067 467 A HA 0.607 4.927 4.320 0.001 0.000 0.219 467 A C 1.656 179.314 177.584 0.122 0.000 1.158 467 A CA 2.131 54.242 52.037 0.124 0.000 0.661 467 A CB 0.037 19.110 19.000 0.121 0.000 0.801 467 A HN 2.128 nan 8.150 nan 0.000 0.452 468 A N -0.392 122.529 122.820 0.168 0.000 2.355 468 A HA 0.641 4.962 4.320 0.001 0.000 0.324 468 A C -0.279 177.396 177.584 0.151 0.000 1.117 468 A CA -0.002 52.162 52.037 0.211 0.000 0.785 468 A CB 1.290 20.501 19.000 0.353 0.000 1.254 468 A HN 1.220 nan 8.150 nan 0.000 0.453 469 V N -0.841 119.042 119.914 -0.050 0.000 2.914 469 V HA 0.838 4.958 4.120 0.001 0.000 0.314 469 V C -2.955 172.728 176.094 -0.686 0.000 1.084 469 V CA -2.545 59.513 62.300 -0.403 0.000 0.963 469 V CB 1.840 33.531 31.823 -0.221 0.000 1.025 469 V HN 0.715 nan 8.190 nan 0.000 0.432 470 P HA 0.288 nan 4.420 nan 0.000 0.276 470 P C -0.053 177.091 177.300 -0.261 0.000 1.235 470 P CA 0.121 62.802 63.100 -0.698 0.000 0.772 470 P CB 1.294 32.568 31.700 -0.711 0.000 0.871 471 A N 3.400 126.172 122.820 -0.081 0.000 3.048 471 A HA 0.142 4.462 4.320 0.001 0.000 0.264 471 A C 0.618 178.212 177.584 0.016 0.000 1.796 471 A CA -0.291 51.742 52.037 -0.007 0.000 1.445 471 A CB -1.205 17.822 19.000 0.044 0.000 1.074 471 A HN 0.584 nan 8.150 nan 0.000 0.621 472 D N -0.728 119.663 120.400 -0.014 0.000 2.478 472 D HA 0.175 4.815 4.640 0.001 0.000 0.263 472 D C 0.562 177.016 176.300 0.257 0.000 1.153 472 D CA -0.525 53.493 54.000 0.030 0.000 1.038 472 D CB 0.535 41.227 40.800 -0.180 0.000 1.120 472 D HN 0.301 nan 8.370 nan 0.000 0.564 473 E N -0.838 119.674 120.200 0.518 0.000 2.028 473 E HA 0.062 4.412 4.350 0.001 0.000 0.190 473 E C -0.031 176.874 176.600 0.508 0.000 0.984 473 E CA 0.932 57.575 56.400 0.404 0.000 0.800 473 E CB 0.075 29.952 29.700 0.295 0.000 0.758 473 E HN 0.612 nan 8.360 nan 0.000 0.448 474 W N -1.636 119.873 121.300 0.348 0.000 3.173 474 W HA 0.516 5.177 4.660 0.000 0.000 0.313 474 W C -1.792 174.911 176.519 0.305 0.000 1.228 474 W CA -0.779 56.720 57.345 0.257 0.000 1.185 474 W CB 0.492 30.070 29.460 0.197 0.000 1.390 474 W HN -0.337 nan 8.180 nan 0.000 0.568 475 S N 0.537 116.606 115.700 0.616 0.000 2.541 475 S HA 0.942 5.412 4.470 0.001 0.000 0.280 475 S C -0.151 174.802 174.600 0.588 0.000 1.112 475 S CA 0.037 58.563 58.200 0.544 0.000 0.925 475 S CB 2.214 65.583 63.200 0.283 0.000 1.067 475 S HN 1.140 nan 8.310 nan 0.000 0.479 476 G N 0.409 109.568 108.800 0.598 0.000 2.340 476 G HA2 0.775 4.736 3.960 0.001 0.000 0.299 476 G HA3 0.775 4.736 3.960 0.001 0.000 0.299 476 G C -1.966 173.113 174.900 0.298 0.000 1.291 476 G CA 0.063 45.364 45.100 0.336 0.000 0.841 476 G HN 1.220 nan 8.290 nan 0.000 0.500 477 A N -1.553 121.353 122.820 0.143 0.000 2.597 477 A HA 0.948 5.268 4.320 0.001 0.000 0.292 477 A C -0.639 176.979 177.584 0.055 0.000 1.057 477 A CA 0.454 52.568 52.037 0.128 0.000 0.674 477 A CB 1.531 20.608 19.000 0.129 0.000 1.278 477 A HN 1.800 nan 8.150 nan 0.000 0.416 478 T N -0.948 113.644 114.554 0.063 0.000 2.812 478 T HA 0.890 5.241 4.350 0.001 0.000 0.294 478 T C -1.336 173.380 174.700 0.028 0.000 1.159 478 T CA 0.336 62.456 62.100 0.033 0.000 1.008 478 T CB 1.659 70.544 68.868 0.029 0.000 1.289 478 T HN 2.425 nan 8.240 nan 0.000 0.514 479 A N 1.458 124.288 122.820 0.016 0.000 2.566 479 A HA 0.758 5.078 4.320 0.001 0.000 0.297 479 A C -2.116 175.492 177.584 0.039 0.000 1.059 479 A CA -0.569 51.466 52.037 -0.003 0.000 0.691 479 A CB 1.607 20.592 19.000 -0.026 0.000 1.282 479 A HN 0.856 nan 8.150 nan 0.000 0.401 480 L N 2.310 123.566 121.223 0.055 0.000 2.404 480 L HA 0.701 5.041 4.340 0.001 0.000 0.272 480 L C 0.925 177.854 176.870 0.098 0.000 0.980 480 L CA 1.447 56.331 54.840 0.073 0.000 0.836 480 L CB 1.293 43.397 42.059 0.074 0.000 1.238 480 L HN 2.292 nan 8.230 nan 0.000 0.408 481 G N 4.128 112.988 108.800 0.099 0.000 2.685 481 G HA2 -0.408 3.553 3.960 0.001 0.000 0.329 481 G HA3 -0.408 3.553 3.960 0.001 0.000 0.329 481 G C 0.625 175.622 174.900 0.163 0.000 1.271 481 G CA 0.821 45.983 45.100 0.103 0.000 1.003 481 G HN 1.045 nan 8.290 nan 0.000 0.549 482 E N -0.122 120.159 120.200 0.135 0.000 2.489 482 E HA 0.365 4.715 4.350 0.001 0.000 0.193 482 E C 0.351 177.131 176.600 0.300 0.000 1.057 482 E CA 0.436 56.933 56.400 0.162 0.000 0.866 482 E CB 0.187 29.927 29.700 0.068 0.000 0.916 482 E HN 0.415 nan 8.360 nan 0.000 0.500 483 V N 1.271 121.293 119.914 0.180 0.000 2.540 483 V HA 0.635 4.756 4.120 0.001 0.000 0.302 483 V C -0.204 175.789 176.094 -0.167 0.000 1.035 483 V CA -0.655 61.654 62.300 0.014 0.000 0.873 483 V CB 1.539 33.328 31.823 -0.055 0.000 0.992 483 V HN 0.345 nan 8.190 nan 0.000 0.428 484 A N 3.365 125.947 122.820 -0.396 0.000 2.356 484 A HA 0.994 5.315 4.320 0.001 0.000 0.323 484 A C -0.242 177.372 177.584 0.051 0.000 1.119 484 A CA -0.409 51.441 52.037 -0.312 0.000 0.790 484 A CB 1.709 20.382 19.000 -0.545 0.000 1.273 484 A HN 1.430 nan 8.150 nan 0.000 0.452 485 A N 1.101 124.000 122.820 0.132 0.000 2.319 485 A HA 0.663 4.984 4.320 0.001 0.000 0.310 485 A C -0.994 176.678 177.584 0.146 0.000 1.152 485 A CA -0.414 51.763 52.037 0.232 0.000 0.783 485 A CB 0.985 20.219 19.000 0.389 0.000 1.184 485 A HN 1.176 nan 8.150 nan 0.000 0.474 486 V N 1.609 121.578 119.914 0.092 0.000 2.656 486 V HA 0.849 4.969 4.120 0.001 0.000 0.307 486 V C 0.544 176.849 176.094 0.351 0.000 1.051 486 V CA -0.107 62.349 62.300 0.260 0.000 0.893 486 V CB 1.986 33.980 31.823 0.285 0.000 0.999 486 V HN 1.238 nan 8.190 nan 0.000 0.426 487 G N 2.638 111.723 108.800 0.475 0.000 2.563 487 G HA2 0.695 4.656 3.960 0.001 0.000 0.302 487 G HA3 0.695 4.656 3.960 0.001 0.000 0.302 487 G C -1.529 173.610 174.900 0.398 0.000 1.301 487 G CA -0.519 44.809 45.100 0.380 0.000 0.965 487 G HN 0.649 nan 8.290 nan 0.000 0.480 488 Q N 0.035 120.052 119.800 0.362 0.000 2.263 488 Q HA 0.233 4.573 4.340 0.001 0.000 0.266 488 Q C -1.341 174.701 176.000 0.070 0.000 1.002 488 Q CA -0.758 55.209 55.803 0.273 0.000 0.790 488 Q CB 1.564 30.549 28.738 0.410 0.000 1.272 488 Q HN 0.834 nan 8.270 nan 0.000 0.435 489 H N 5.613 124.571 119.070 -0.186 0.000 3.004 489 H HA 0.177 4.734 4.556 0.001 0.000 0.267 489 H C -0.957 174.286 175.328 -0.142 0.000 1.165 489 H CA -0.565 55.251 56.048 -0.386 0.000 1.450 489 H CB 0.635 30.166 29.762 -0.386 0.000 1.488 489 H HN 0.497 nan 8.280 nan 0.000 0.478 490 L N 6.729 127.848 121.223 -0.174 0.000 2.319 490 L HA 0.176 4.517 4.340 0.001 0.000 0.280 490 L C -1.118 175.600 176.870 -0.254 0.000 1.099 490 L CA -0.161 54.609 54.840 -0.116 0.000 0.828 490 L CB 0.926 43.007 42.059 0.036 0.000 1.150 490 L HN 0.370 nan 8.230 nan 0.000 0.442 491 V N 5.592 125.414 119.914 -0.155 0.000 2.384 491 V HA 0.589 4.710 4.120 0.001 0.000 0.287 491 V C 0.836 177.112 176.094 0.303 0.000 1.020 491 V CA -0.431 61.866 62.300 -0.005 0.000 0.850 491 V CB 1.102 32.906 31.823 -0.032 0.000 0.987 491 V HN 0.958 nan 8.190 nan 0.000 0.436 492 G N 6.155 115.065 108.800 0.184 0.000 2.483 492 G HA2 0.480 4.441 3.960 0.001 0.000 0.248 492 G HA3 0.480 4.441 3.960 0.001 0.000 0.248 492 G C -2.383 172.478 174.900 -0.064 0.000 1.248 492 G CA -0.853 44.324 45.100 0.128 0.000 0.838 492 G HN 0.543 nan 8.290 nan 0.000 0.566 493 P HA 0.238 nan 4.420 nan 0.000 0.274 493 P C 0.749 177.699 177.300 -0.583 0.000 1.237 493 P CA 0.879 63.274 63.100 -1.175 0.000 0.793 493 P CB 1.193 32.024 31.700 -1.448 0.000 0.977 494 G N 1.706 110.193 108.800 -0.523 0.000 2.136 494 G HA2 -0.314 3.646 3.960 0.001 0.000 0.242 494 G HA3 -0.314 3.646 3.960 0.001 0.000 0.242 494 G C 0.500 175.284 174.900 -0.193 0.000 0.989 494 G CA 0.143 45.044 45.100 -0.331 0.000 0.682 494 G HN 0.643 nan 8.290 nan 0.000 0.522 495 R N -1.862 118.553 120.500 -0.141 0.000 3.641 495 R HA -0.277 4.063 4.340 0.001 0.000 0.286 495 R C 1.934 178.201 176.300 -0.055 0.000 1.153 495 R CA 1.735 57.800 56.100 -0.059 0.000 0.775 495 R CB -2.777 27.498 30.300 -0.041 0.000 1.215 495 R HN 1.146 nan 8.270 nan 0.000 0.474 496 T N -3.518 110.995 114.554 -0.069 0.000 2.995 496 T HA 0.081 4.431 4.350 0.001 0.000 0.269 496 T C 1.569 176.254 174.700 -0.024 0.000 1.091 496 T CA 1.068 63.137 62.100 -0.052 0.000 1.128 496 T CB 0.272 69.105 68.868 -0.058 0.000 0.891 496 T HN 0.799 nan 8.240 nan 0.000 0.492 497 G N 1.120 109.915 108.800 -0.008 0.000 2.143 497 G HA2 -0.200 3.760 3.960 0.001 0.000 0.249 497 G HA3 -0.200 3.760 3.960 0.001 0.000 0.249 497 G C -0.021 174.884 174.900 0.009 0.000 0.981 497 G CA 0.048 45.154 45.100 0.009 0.000 0.665 497 G HN 0.714 nan 8.290 nan 0.000 0.528 498 L N 1.358 122.584 121.223 0.006 0.000 2.499 498 L HA 0.623 4.963 4.340 0.001 0.000 0.273 498 L C 0.098 176.976 176.870 0.013 0.000 1.195 498 L CA 1.696 56.539 54.840 0.005 0.000 0.882 498 L CB 0.960 43.026 42.059 0.011 0.000 1.133 498 L HN 0.264 nan 8.230 nan 0.000 0.483 499 T N 4.456 119.011 114.554 0.001 0.000 2.912 499 T HA 0.807 5.157 4.350 0.001 0.000 0.299 499 T C -1.102 173.578 174.700 -0.032 0.000 1.052 499 T CA -0.044 62.065 62.100 0.015 0.000 0.996 499 T CB 1.307 70.224 68.868 0.082 0.000 1.070 499 T HN 1.000 nan 8.240 nan 0.000 0.465 500 A N 3.932 126.729 122.820 -0.038 0.000 2.589 500 A HA 0.783 5.103 4.320 0.001 0.000 0.296 500 A C -1.125 176.332 177.584 -0.211 0.000 1.062 500 A CA -0.885 51.081 52.037 -0.118 0.000 0.686 500 A CB 1.479 20.444 19.000 -0.060 0.000 1.282 500 A HN 0.800 nan 8.150 nan 0.000 0.404 501 R N 1.486 121.750 120.500 -0.394 0.000 2.239 501 R HA 0.424 4.765 4.340 0.001 0.000 0.332 501 R C -1.001 175.058 176.300 -0.401 0.000 0.988 501 R CA -0.314 55.380 56.100 -0.677 0.000 0.859 501 R CB 1.526 31.129 30.300 -1.162 0.000 1.148 501 R HN 0.590 nan 8.270 nan 0.000 0.482 502 K N 1.543 121.770 120.400 -0.288 0.000 2.244 502 K HA 0.445 4.765 4.320 0.001 0.000 0.260 502 K C -0.625 175.650 176.600 -0.542 0.000 0.951 502 K CA -0.463 55.572 56.287 -0.420 0.000 0.826 502 K CB 2.200 34.483 32.500 -0.362 0.000 1.108 502 K HN 0.359 nan 8.250 nan 0.000 0.433 503 S N 1.535 116.803 115.700 -0.720 0.000 2.570 503 S HA 0.540 5.010 4.470 0.001 0.000 0.286 503 S C -1.367 172.642 174.600 -0.985 0.000 1.099 503 S CA -0.934 56.876 58.200 -0.650 0.000 0.913 503 S CB 1.238 64.224 63.200 -0.356 0.000 1.085 503 S HN 0.445 nan 8.310 nan 0.000 0.480 504 W N 1.650 122.592 121.300 -0.597 0.000 2.839 504 W HA 0.506 5.166 4.660 0.000 0.000 0.334 504 W C -1.855 174.221 176.519 -0.738 0.000 1.064 504 W CA -0.745 56.316 57.345 -0.473 0.000 1.236 504 W CB 1.193 30.539 29.460 -0.190 0.000 1.405 504 W HN 0.532 nan 8.180 nan 0.000 0.478 505 F N 2.158 122.276 119.950 0.281 0.000 2.445 505 F HA 0.429 4.957 4.527 0.001 0.000 0.348 505 F C 0.013 176.028 175.800 0.358 0.000 1.125 505 F CA -0.989 57.192 58.000 0.301 0.000 0.983 505 F CB 1.368 40.541 39.000 0.289 0.000 1.198 505 F HN -0.223 nan 8.300 nan 0.000 0.436 506 V N 2.938 123.016 119.914 0.273 0.000 2.378 506 V HA 0.468 4.588 4.120 0.001 0.000 0.288 506 V C -0.017 176.150 176.094 0.121 0.000 1.016 506 V CA -0.688 61.716 62.300 0.174 0.000 0.840 506 V CB 1.298 33.107 31.823 -0.023 0.000 0.994 506 V HN 0.823 nan 8.190 nan 0.000 0.431 507 S N 3.770 119.467 115.700 -0.005 0.000 2.647 507 S HA 0.537 5.007 4.470 0.001 0.000 0.284 507 S C 1.465 176.192 174.600 0.213 0.000 1.134 507 S CA 0.158 58.276 58.200 -0.137 0.000 1.027 507 S CB 1.207 64.085 63.200 -0.537 0.000 1.180 507 S HN 0.902 nan 8.310 nan 0.000 0.521 508 G N -0.576 108.310 108.800 0.143 0.000 2.598 508 G HA2 0.059 4.020 3.960 0.001 0.000 0.215 508 G HA3 0.059 4.020 3.960 0.001 0.000 0.215 508 G C 0.482 175.633 174.900 0.418 0.000 1.131 508 G CA 0.681 45.902 45.100 0.202 0.000 0.785 508 G HN 0.775 nan 8.290 nan 0.000 0.539 509 D N -1.226 119.410 120.400 0.394 0.000 2.409 509 D HA 0.079 4.720 4.640 0.001 0.000 0.301 509 D C 0.781 177.098 176.300 0.028 0.000 1.095 509 D CA 0.315 54.535 54.000 0.367 0.000 0.929 509 D CB 0.670 41.602 40.800 0.221 0.000 1.623 509 D HN 0.260 nan 8.370 nan 0.000 0.506 510 V N 0.268 120.195 119.914 0.022 0.000 2.769 510 V HA 0.731 4.852 4.120 0.001 0.000 0.312 510 V C -0.666 175.441 176.094 0.021 0.000 1.061 510 V CA -0.309 61.925 62.300 -0.110 0.000 0.931 510 V CB 2.102 33.799 31.823 -0.210 0.000 1.010 510 V HN -0.108 nan 8.190 nan 0.000 0.433 511 T N 3.811 118.374 114.554 0.015 0.000 2.772 511 T HA 0.564 4.914 4.350 0.001 0.000 0.288 511 T C -0.364 174.433 174.700 0.162 0.000 0.994 511 T CA -0.256 61.954 62.100 0.184 0.000 0.951 511 T CB 1.193 70.255 68.868 0.323 0.000 0.933 511 T HN 0.724 nan 8.240 nan 0.000 0.447 512 V N 3.432 123.488 119.914 0.236 0.000 2.432 512 V HA 0.301 4.422 4.120 0.001 0.000 0.275 512 V C 0.062 176.202 176.094 0.078 0.000 1.043 512 V CA -0.681 61.703 62.300 0.139 0.000 0.925 512 V CB 0.844 32.771 31.823 0.173 0.000 0.985 512 V HN 1.011 nan 8.190 nan 0.000 0.466 513 C N 7.049 126.239 119.300 -0.183 0.000 2.293 513 C HA 0.639 5.100 4.460 0.001 0.000 0.323 513 C C -0.026 174.842 174.990 -0.203 0.000 1.240 513 C CA -0.902 57.897 59.018 -0.365 0.000 1.497 513 C CB -0.304 26.935 27.740 -0.835 0.000 2.171 513 C HN 0.709 nan 8.230 nan 0.000 0.465 514 L N 3.089 124.181 121.223 -0.219 0.000 2.334 514 L HA 0.862 5.202 4.340 0.001 0.000 0.276 514 L C 0.481 176.899 176.870 -0.752 0.000 1.014 514 L CA -0.092 54.569 54.840 -0.299 0.000 0.815 514 L CB 1.760 43.797 42.059 -0.038 0.000 1.268 514 L HN 0.819 nan 8.230 nan 0.000 0.428 515 G N 1.266 109.273 108.800 -1.321 0.000 2.638 515 G HA2 0.821 4.781 3.960 0.001 0.000 0.302 515 G HA3 0.821 4.781 3.960 0.001 0.000 0.302 515 G C -1.590 172.913 174.900 -0.661 0.000 1.365 515 G CA -0.323 43.959 45.100 -1.362 0.000 0.987 515 G HN 0.814 nan 8.290 nan 0.000 0.495 516 A N 1.166 123.728 122.820 -0.429 0.000 2.609 516 A HA 0.747 5.068 4.320 0.001 0.000 0.291 516 A C -0.104 177.313 177.584 -0.280 0.000 1.096 516 A CA 0.223 52.090 52.037 -0.284 0.000 0.684 516 A CB 1.314 20.189 19.000 -0.207 0.000 1.282 516 A HN 1.487 nan 8.150 nan 0.000 0.412 517 D N -0.828 119.445 120.400 -0.212 0.000 2.800 517 D HA -0.139 4.501 4.640 0.001 0.000 0.232 517 D C -0.523 175.665 176.300 -0.187 0.000 1.137 517 D CA 1.176 55.058 54.000 -0.197 0.000 0.718 517 D CB -1.467 39.180 40.800 -0.255 0.000 1.084 517 D HN 0.553 nan 8.370 nan 0.000 0.432 518 I N 0.773 121.231 120.570 -0.187 0.000 2.352 518 I HA 0.300 4.471 4.170 0.001 0.000 0.290 518 I C 0.893 176.931 176.117 -0.131 0.000 1.036 518 I CA 0.070 61.255 61.300 -0.193 0.000 1.336 518 I CB 1.146 38.945 38.000 -0.334 0.000 1.407 518 I HN 0.242 nan 8.210 nan 0.000 0.497 519 S N 3.553 119.199 115.700 -0.090 0.000 2.656 519 S HA 0.734 5.204 4.470 0.001 0.000 0.273 519 S C -0.693 173.886 174.600 -0.035 0.000 1.168 519 S CA -0.712 57.456 58.200 -0.054 0.000 0.817 519 S CB 2.478 65.653 63.200 -0.042 0.000 1.146 519 S HN 0.549 nan 8.310 nan 0.000 0.475 520 T N -1.115 113.425 114.554 -0.023 0.000 2.792 520 T HA 0.711 5.062 4.350 0.001 0.000 0.303 520 T C 0.182 174.874 174.700 -0.013 0.000 1.310 520 T CA 0.105 62.196 62.100 -0.016 0.000 1.007 520 T CB 1.310 70.168 68.868 -0.017 0.000 1.335 520 T HN 1.428 nan 8.240 nan 0.000 0.504 521 A N 0.706 123.519 122.820 -0.012 0.000 2.303 521 A HA 0.288 4.608 4.320 0.001 0.000 0.217 521 A C 2.041 179.615 177.584 -0.017 0.000 1.205 521 A CA 1.037 53.067 52.037 -0.011 0.000 0.875 521 A CB -0.380 18.616 19.000 -0.007 0.000 0.910 521 A HN 0.969 nan 8.150 nan 0.000 0.501 522 S N -1.388 114.299 115.700 -0.022 0.000 2.489 522 S HA 0.300 4.771 4.470 0.001 0.000 0.228 522 S C 1.621 176.205 174.600 -0.026 0.000 0.995 522 S CA 1.221 59.404 58.200 -0.028 0.000 0.934 522 S CB -0.385 62.793 63.200 -0.036 0.000 0.771 522 S HN 1.796 nan 8.310 nan 0.000 0.522 523 G N 0.851 109.638 108.800 -0.021 0.000 2.189 523 G HA2 -0.159 3.801 3.960 0.001 0.000 0.267 523 G HA3 -0.159 3.801 3.960 0.001 0.000 0.267 523 G C 0.272 175.158 174.900 -0.023 0.000 0.975 523 G CA 0.228 45.317 45.100 -0.020 0.000 0.644 523 G HN 1.299 nan 8.290 nan 0.000 0.537 524 A N -0.250 122.554 122.820 -0.027 0.000 2.271 524 A HA 0.736 5.056 4.320 0.001 0.000 0.288 524 A C 0.645 178.214 177.584 -0.025 0.000 1.094 524 A CA -0.053 51.964 52.037 -0.032 0.000 0.828 524 A CB 0.547 19.521 19.000 -0.043 0.000 1.091 524 A HN 0.424 nan 8.150 nan 0.000 0.493 525 K N -0.147 120.235 120.400 -0.030 0.000 2.380 525 K HA 0.382 4.702 4.320 0.001 0.000 0.267 525 K C -0.844 175.748 176.600 -0.013 0.000 0.990 525 K CA -0.017 56.259 56.287 -0.018 0.000 0.946 525 K CB 0.572 33.049 32.500 -0.039 0.000 0.937 525 K HN 0.342 nan 8.250 nan 0.000 0.491 526 V N 2.211 122.147 119.914 0.036 0.000 2.604 526 V HA 0.255 4.376 4.120 0.001 0.000 0.305 526 V C -0.393 175.795 176.094 0.157 0.000 1.043 526 V CA -0.791 61.554 62.300 0.075 0.000 0.888 526 V CB 1.682 33.556 31.823 0.085 0.000 0.995 526 V HN 0.739 nan 8.190 nan 0.000 0.429 527 E N 1.383 121.637 120.200 0.091 0.000 2.299 527 E HA 0.690 5.040 4.350 0.001 0.000 0.265 527 E C -1.119 175.539 176.600 0.096 0.000 0.911 527 E CA -0.747 55.674 56.400 0.035 0.000 0.789 527 E CB 2.441 32.059 29.700 -0.137 0.000 1.246 527 E HN 0.626 nan 8.360 nan 0.000 0.427 528 T N 1.769 116.335 114.554 0.019 0.000 2.848 528 T HA 0.369 4.719 4.350 0.001 0.000 0.285 528 T C -0.545 174.070 174.700 -0.141 0.000 0.995 528 T CA -0.682 61.389 62.100 -0.047 0.000 0.970 528 T CB 0.578 69.376 68.868 -0.116 0.000 0.976 528 T HN 0.228 nan 8.240 nan 0.000 0.441 529 I N 4.595 125.085 120.570 -0.133 0.000 2.291 529 I HA 0.190 4.361 4.170 0.001 0.000 0.290 529 I C 1.528 177.540 176.117 -0.176 0.000 1.050 529 I CA -0.233 60.992 61.300 -0.126 0.000 1.245 529 I CB 0.498 38.432 38.000 -0.110 0.000 1.405 529 I HN 0.446 nan 8.210 nan 0.000 0.478 530 V N 4.717 124.411 119.914 -0.367 0.000 2.295 530 V HA -0.136 3.984 4.120 0.001 0.000 0.246 530 V C 0.759 176.736 176.094 -0.194 0.000 1.049 530 V CA 1.838 63.793 62.300 -0.574 0.000 1.024 530 V CB -0.348 30.980 31.823 -0.825 0.000 0.648 530 V HN 0.800 nan 8.190 nan 0.000 0.447 531 D N -3.105 117.172 120.400 -0.205 0.000 2.623 531 D HA 0.356 4.997 4.640 0.001 0.000 0.241 531 D C -1.516 174.789 176.300 0.008 0.000 1.241 531 D CA -0.525 53.439 54.000 -0.059 0.000 0.788 531 D CB 1.734 42.468 40.800 -0.109 0.000 1.413 531 D HN 0.218 nan 8.370 nan 0.000 0.429 532 H N 0.952 120.000 119.070 -0.037 0.000 3.177 532 H HA 0.497 5.054 4.556 0.000 0.000 0.314 532 H C -1.472 173.946 175.328 0.151 0.000 1.059 532 H CA -0.479 55.573 56.048 0.006 0.000 1.515 532 H CB 0.614 30.323 29.762 -0.088 0.000 1.672 532 H HN 0.239 nan 8.280 nan 0.000 0.514 533 R N 3.932 124.408 120.500 -0.040 0.000 2.476 533 R HA 0.339 4.679 4.340 0.001 0.000 0.305 533 R C -0.976 175.083 176.300 -0.401 0.000 0.965 533 R CA -0.896 55.093 56.100 -0.185 0.000 0.867 533 R CB 0.673 30.806 30.300 -0.278 0.000 1.176 533 R HN 0.546 nan 8.270 nan 0.000 0.447 534 N N 4.723 123.044 118.700 -0.631 0.000 2.452 534 N HA 0.018 4.758 4.740 0.001 0.000 0.266 534 N C 0.189 175.145 175.510 -0.923 0.000 1.209 534 N CA 0.181 52.532 53.050 -1.165 0.000 0.929 534 N CB 0.707 38.635 38.487 -0.931 0.000 1.063 534 N HN 0.722 nan 8.380 nan 0.000 0.472 535 L N 3.669 124.413 121.223 -0.798 0.000 2.607 535 L HA 0.116 4.456 4.340 0.001 0.000 0.228 535 L C 0.662 177.339 176.870 -0.320 0.000 1.123 535 L CA -0.302 54.278 54.840 -0.433 0.000 0.890 535 L CB -0.503 41.410 42.059 -0.243 0.000 1.103 535 L HN 0.653 nan 8.230 nan 0.000 0.468 536 H N -0.321 118.572 119.070 -0.295 0.000 1.452 536 H HA -0.251 4.305 4.556 0.000 0.000 0.090 536 H C 0.568 175.815 175.328 -0.134 0.000 0.626 536 H CA 1.360 57.298 56.048 -0.183 0.000 1.901 536 H CB -1.037 28.655 29.762 -0.117 0.000 2.257 536 H HN 0.197 nan 8.280 nan 0.000 0.961 537 Q N 2.478 122.317 119.800 0.066 0.000 2.198 537 Q HA 0.318 4.658 4.340 0.001 0.000 0.209 537 Q C 1.035 177.039 176.000 0.007 0.000 0.848 537 Q CA 0.698 56.510 55.803 0.014 0.000 0.974 537 Q CB 0.795 29.547 28.738 0.024 0.000 1.115 537 Q HN 0.515 nan 8.270 nan 0.000 0.494 538 G N 0.978 109.783 108.800 0.008 0.000 2.572 538 G HA2 0.261 4.221 3.960 0.001 0.000 0.261 538 G HA3 0.261 4.221 3.960 0.001 0.000 0.261 538 G C 0.256 175.149 174.900 -0.011 0.000 1.197 538 G CA -0.292 44.812 45.100 0.006 0.000 0.870 538 G HN 0.201 nan 8.290 nan 0.000 0.548 539 S N -0.289 115.412 115.700 0.002 0.000 2.581 539 S HA 0.152 4.622 4.470 0.001 0.000 0.245 539 S C 0.018 174.626 174.600 0.014 0.000 1.115 539 S CA -0.866 57.336 58.200 0.003 0.000 1.093 539 S CB -0.306 62.898 63.200 0.007 0.000 0.853 539 S HN 0.450 nan 8.310 nan 0.000 0.479 540 N N 2.747 121.455 118.700 0.013 0.000 2.357 540 N HA 0.081 4.822 4.740 0.001 0.000 0.257 540 N C -0.173 175.364 175.510 0.046 0.000 1.250 540 N CA 0.648 53.718 53.050 0.033 0.000 0.862 540 N CB 0.269 38.772 38.487 0.028 0.000 1.066 540 N HN 0.257 nan 8.380 nan 0.000 0.468 541 T N 2.684 117.280 114.554 0.070 0.000 2.870 541 T HA 0.179 4.529 4.350 0.001 0.000 0.300 541 T C 0.543 175.311 174.700 0.113 0.000 0.989 541 T CA -0.248 61.900 62.100 0.080 0.000 1.139 541 T CB 0.138 69.060 68.868 0.090 0.000 0.920 541 T HN 0.211 nan 8.240 nan 0.000 0.537 542 L N 4.309 125.586 121.223 0.089 0.000 2.302 542 L HA 0.260 4.600 4.340 0.001 0.000 0.285 542 L C 0.797 177.733 176.870 0.110 0.000 1.090 542 L CA -0.457 54.449 54.840 0.110 0.000 0.866 542 L CB 0.239 42.331 42.059 0.057 0.000 1.244 542 L HN 0.621 nan 8.230 nan 0.000 0.435 543 T N 1.273 115.945 114.554 0.197 0.000 2.889 543 T HA 0.490 4.841 4.350 0.001 0.000 0.291 543 T C 0.436 175.182 174.700 0.077 0.000 0.995 543 T CA -0.452 61.752 62.100 0.173 0.000 1.092 543 T CB 1.258 70.292 68.868 0.277 0.000 0.954 543 T HN 0.670 nan 8.240 nan 0.000 0.506 544 T N -1.178 113.266 114.554 -0.184 0.000 2.864 544 T HA 0.694 5.044 4.350 0.001 0.000 0.289 544 T C 1.598 175.824 174.700 -0.789 0.000 1.082 544 T CA -0.397 61.288 62.100 -0.693 0.000 1.009 544 T CB 1.227 69.824 68.868 -0.451 0.000 1.234 544 T HN 0.412 nan 8.240 nan 0.000 0.526 545 A N 0.779 122.903 122.820 -1.159 0.000 1.915 545 A HA 0.032 4.352 4.320 0.001 0.000 0.220 545 A C 2.507 179.994 177.584 -0.161 0.000 1.198 545 A CA 2.713 54.488 52.037 -0.437 0.000 0.647 545 A CB -1.587 17.197 19.000 -0.359 0.000 0.825 545 A HN 1.393 nan 8.150 nan 0.000 0.456 546 A N -2.743 119.956 122.820 -0.202 0.000 1.930 546 A HA 0.438 4.758 4.320 0.001 0.000 0.215 546 A C 1.774 179.316 177.584 -0.071 0.000 1.176 546 A CA 2.029 54.002 52.037 -0.107 0.000 0.632 546 A CB -0.450 18.481 19.000 -0.114 0.000 0.819 546 A HN 1.470 nan 8.150 nan 0.000 0.445 547 G N -2.134 106.614 108.800 -0.087 0.000 2.718 547 G HA2 0.391 4.351 3.960 0.001 0.000 0.123 547 G HA3 0.391 4.351 3.960 0.001 0.000 0.123 547 G C 0.013 174.892 174.900 -0.036 0.000 1.042 547 G CA 0.823 45.899 45.100 -0.040 0.000 1.397 547 G HN 1.152 nan 8.290 nan 0.000 0.611 548 T N -1.499 113.030 114.554 -0.040 0.000 2.864 548 T HA 0.773 5.123 4.350 0.001 0.000 0.299 548 T C -1.035 173.637 174.700 -0.047 0.000 1.166 548 T CA -0.440 61.644 62.100 -0.026 0.000 1.007 548 T CB 2.372 71.242 68.868 0.004 0.000 1.219 548 T HN 1.062 nan 8.240 nan 0.000 0.506 549 I N 0.551 121.097 120.570 -0.040 0.000 3.042 549 I HA 0.597 4.768 4.170 0.001 0.000 0.310 549 I C 0.238 176.336 176.117 -0.032 0.000 1.117 549 I CA -0.638 60.630 61.300 -0.053 0.000 1.003 549 I CB 1.818 39.767 38.000 -0.084 0.000 1.228 549 I HN 1.405 nan 8.210 nan 0.000 0.443 550 A N 3.670 126.468 122.820 -0.035 0.000 2.687 550 A HA -0.184 4.136 4.320 0.001 0.000 0.299 550 A C 1.149 178.726 177.584 -0.011 0.000 1.497 550 A CA 1.025 53.048 52.037 -0.023 0.000 0.751 550 A CB -2.383 16.604 19.000 -0.023 0.000 1.048 550 A HN 1.297 nan 8.150 nan 0.000 0.464 551 G N -1.163 107.630 108.800 -0.011 0.000 2.511 551 G HA2 0.287 4.247 3.960 0.001 0.000 0.217 551 G HA3 0.287 4.247 3.960 0.001 0.000 0.217 551 G C 0.664 175.562 174.900 -0.003 0.000 1.133 551 G CA 1.247 46.345 45.100 -0.004 0.000 0.792 551 G HN 0.826 nan 8.290 nan 0.000 0.539 552 T N 1.561 116.112 114.554 -0.006 0.000 2.749 552 T HA 0.601 4.952 4.350 0.001 0.000 0.287 552 T C 0.349 175.047 174.700 -0.002 0.000 0.970 552 T CA -0.276 61.821 62.100 -0.004 0.000 0.980 552 T CB 1.565 70.429 68.868 -0.007 0.000 0.924 552 T HN 0.343 nan 8.240 nan 0.000 0.456 553 A N 2.383 125.203 122.820 -0.000 0.000 2.546 553 A HA 0.503 4.823 4.320 0.001 0.000 0.243 553 A C 1.589 179.173 177.584 -0.000 0.000 1.063 553 A CA 0.457 52.495 52.037 0.002 0.000 0.757 553 A CB -0.775 18.226 19.000 0.003 0.000 0.991 553 A HN 1.587 nan 8.150 nan 0.000 0.503 554 G N 1.916 110.717 108.800 0.001 0.000 2.176 554 G HA2 -0.184 3.777 3.960 0.001 0.000 0.253 554 G HA3 -0.184 3.777 3.960 0.001 0.000 0.253 554 G C 0.327 175.226 174.900 -0.002 0.000 0.979 554 G CA 0.503 45.601 45.100 -0.003 0.000 0.641 554 G HN 1.313 nan 8.290 nan 0.000 0.530 555 T N 1.050 115.604 114.554 0.000 0.000 2.842 555 T HA 0.520 4.870 4.350 0.001 0.000 0.308 555 T C 0.131 174.834 174.700 0.005 0.000 1.041 555 T CA 0.070 62.170 62.100 0.000 0.000 0.964 555 T CB 2.059 70.923 68.868 -0.006 0.000 0.972 555 T HN 0.775 nan 8.240 nan 0.000 0.460 556 V N 4.321 124.247 119.914 0.020 0.000 2.655 556 V HA 0.307 4.427 4.120 0.001 0.000 0.300 556 V C -0.008 176.093 176.094 0.010 0.000 1.044 556 V CA 0.445 62.767 62.300 0.037 0.000 1.095 556 V CB 0.665 32.543 31.823 0.091 0.000 0.952 556 V HN 0.843 nan 8.190 nan 0.000 0.485 557 E N 3.887 124.073 120.200 -0.022 0.000 2.336 557 E HA 0.586 4.936 4.350 0.001 0.000 0.267 557 E C -1.496 175.023 176.600 -0.135 0.000 0.906 557 E CA -0.857 55.505 56.400 -0.063 0.000 0.781 557 E CB 2.540 32.198 29.700 -0.069 0.000 1.261 557 E HN 0.517 nan 8.360 nan 0.000 0.436 558 V N 2.457 122.264 119.914 -0.179 0.000 2.435 558 V HA 0.182 4.302 4.120 0.001 0.000 0.290 558 V C -0.314 175.636 176.094 -0.241 0.000 1.030 558 V CA -0.775 61.339 62.300 -0.310 0.000 0.881 558 V CB 1.389 33.002 31.823 -0.350 0.000 0.983 558 V HN 0.513 nan 8.190 nan 0.000 0.445 559 L N 5.222 126.287 121.223 -0.263 0.000 2.499 559 L HA 0.455 4.795 4.340 0.001 0.000 0.273 559 L C 1.219 177.975 176.870 -0.190 0.000 1.195 559 L CA 0.993 55.704 54.840 -0.214 0.000 0.882 559 L CB 0.543 42.475 42.059 -0.211 0.000 1.133 559 L HN 0.787 nan 8.230 nan 0.000 0.483 560 G N 3.398 112.094 108.800 -0.174 0.000 2.090 560 G HA2 -0.194 3.766 3.960 0.001 0.000 0.525 560 G HA3 -0.194 3.766 3.960 0.001 0.000 0.525 560 G C 0.379 175.195 174.900 -0.139 0.000 1.411 560 G CA 0.717 45.729 45.100 -0.148 0.000 1.069 560 G HN 0.931 nan 8.290 nan 0.000 0.522 561 D N -1.963 118.364 120.400 -0.122 0.000 2.500 561 D HA 0.132 4.773 4.640 0.001 0.000 0.217 561 D C 1.968 178.222 176.300 -0.078 0.000 1.159 561 D CA 0.787 54.735 54.000 -0.088 0.000 0.828 561 D CB -0.486 40.279 40.800 -0.058 0.000 1.039 561 D HN 0.468 nan 8.370 nan 0.000 0.512 562 G N 1.147 109.864 108.800 -0.139 0.000 2.498 562 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 562 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 562 G C 1.009 175.873 174.900 -0.059 0.000 1.119 562 G CA 0.459 45.475 45.100 -0.140 0.000 0.766 562 G HN 0.354 nan 8.290 nan 0.000 0.552 563 R N -1.991 118.457 120.500 -0.086 0.000 3.977 563 R HA -0.126 4.214 4.340 0.001 0.000 0.428 563 R C 0.199 176.583 176.300 0.140 0.000 1.079 563 R CA 1.406 57.523 56.100 0.029 0.000 1.269 563 R CB -2.287 28.071 30.300 0.097 0.000 1.856 563 R HN 0.749 nan 8.270 nan 0.000 0.551 564 W N -0.482 120.846 121.300 0.047 0.000 2.844 564 W HA 0.741 5.401 4.660 -0.000 0.000 0.340 564 W C -1.199 175.372 176.519 0.086 0.000 1.093 564 W CA -1.186 56.206 57.345 0.079 0.000 1.212 564 W CB 1.020 30.528 29.460 0.080 0.000 1.422 564 W HN -0.141 nan 8.180 nan 0.000 0.515 565 V N 3.320 123.504 119.914 0.450 0.000 2.709 565 V HA 0.433 4.554 4.120 0.001 0.000 0.308 565 V C -1.157 175.294 176.094 0.596 0.000 1.062 565 V CA -0.524 61.998 62.300 0.370 0.000 0.901 565 V CB 1.975 33.890 31.823 0.152 0.000 1.003 565 V HN 0.789 nan 8.190 nan 0.000 0.425 566 H N 6.465 125.807 119.070 0.452 0.000 2.505 566 H HA 0.499 5.055 4.556 0.001 0.000 0.338 566 H C -1.553 173.928 175.328 0.254 0.000 1.057 566 H CA -0.668 55.564 56.048 0.307 0.000 1.202 566 H CB 1.999 31.908 29.762 0.244 0.000 1.466 566 H HN 0.626 nan 8.280 nan 0.000 0.499 567 L N 5.422 126.610 121.223 -0.059 0.000 2.265 567 L HA 0.238 4.579 4.340 0.001 0.000 0.289 567 L C 0.336 177.118 176.870 -0.146 0.000 1.033 567 L CA -0.299 54.562 54.840 0.036 0.000 0.814 567 L CB 0.889 43.078 42.059 0.215 0.000 1.203 567 L HN 0.711 nan 8.230 nan 0.000 0.423 568 E N 4.342 124.584 120.200 0.070 0.000 2.608 568 E HA 0.213 4.564 4.350 0.001 0.000 0.259 568 E C 1.081 177.718 176.600 0.063 0.000 0.951 568 E CA 1.090 57.561 56.400 0.119 0.000 0.945 568 E CB 0.223 30.005 29.700 0.136 0.000 0.916 568 E HN 1.011 nan 8.360 nan 0.000 0.477 569 G N 3.478 112.318 108.800 0.067 0.000 2.184 569 G HA2 -0.332 3.629 3.960 0.001 0.000 0.264 569 G HA3 -0.332 3.629 3.960 0.001 0.000 0.264 569 G C 0.152 175.100 174.900 0.081 0.000 0.975 569 G CA 0.450 45.589 45.100 0.064 0.000 0.642 569 G HN 0.603 nan 8.290 nan 0.000 0.536 570 F N 0.410 120.267 119.950 -0.154 0.000 2.423 570 F HA 0.541 5.068 4.527 0.001 0.000 0.269 570 F C 1.402 177.030 175.800 -0.285 0.000 0.880 570 F CA 2.275 60.158 58.000 -0.196 0.000 1.134 570 F CB 0.565 39.443 39.000 -0.204 0.000 1.143 570 F HN 1.017 nan 8.300 nan 0.000 0.802 571 G N -0.327 108.031 108.800 -0.736 0.000 2.332 571 G HA2 0.356 4.317 3.960 0.001 0.000 0.265 571 G HA3 0.356 4.317 3.960 0.001 0.000 0.265 571 G C -0.971 173.516 174.900 -0.688 0.000 1.329 571 G CA -0.335 44.267 45.100 -0.830 0.000 0.949 571 G HN 0.721 nan 8.290 nan 0.000 0.476 572 G N -1.214 107.254 108.800 -0.553 0.000 2.420 572 G HA2 0.736 4.696 3.960 0.001 0.000 0.331 572 G HA3 0.736 4.696 3.960 0.001 0.000 0.331 572 G C -1.568 173.092 174.900 -0.400 0.000 1.168 572 G CA -0.586 44.346 45.100 -0.279 0.000 0.936 572 G HN 0.685 nan 8.290 nan 0.000 0.479 573 Y N -0.205 120.170 120.300 0.124 0.000 2.462 573 Y HA 0.691 5.241 4.550 0.000 0.000 0.346 573 Y C 0.315 176.321 175.900 0.177 0.000 0.976 573 Y CA -0.811 57.367 58.100 0.131 0.000 1.044 573 Y CB 2.762 41.283 38.460 0.102 0.000 1.230 573 Y HN 0.800 nan 8.280 nan 0.000 0.455 574 A N 3.730 126.746 122.820 0.327 0.000 2.455 574 A HA 0.775 5.096 4.320 0.001 0.000 0.300 574 A C -1.191 176.549 177.584 0.260 0.000 1.040 574 A CA -0.943 51.264 52.037 0.284 0.000 0.697 574 A CB 1.231 20.371 19.000 0.234 0.000 1.265 574 A HN 0.612 nan 8.150 nan 0.000 0.407 575 M N 2.586 122.312 119.600 0.211 0.000 2.216 575 M HA 0.288 4.769 4.480 0.001 0.000 0.356 575 M C 0.212 176.611 176.300 0.165 0.000 1.205 575 M CA 0.009 55.422 55.300 0.188 0.000 1.122 575 M CB 0.570 33.237 32.600 0.112 0.000 1.571 575 M HN 0.677 nan 8.290 nan 0.000 0.464 576 L N 1.804 123.128 121.223 0.168 0.000 2.700 576 L HA 0.098 4.438 4.340 0.001 0.000 0.234 576 L C 0.098 177.026 176.870 0.096 0.000 1.156 576 L CA -0.032 54.882 54.840 0.123 0.000 0.946 576 L CB -0.171 41.953 42.059 0.108 0.000 1.216 576 L HN 0.713 nan 8.230 nan 0.000 0.493 577 D N -3.050 117.409 120.400 0.100 0.000 2.752 577 D HA 0.083 4.723 4.640 0.001 0.000 0.313 577 D C -0.244 176.091 176.300 0.057 0.000 1.225 577 D CA -0.545 53.499 54.000 0.072 0.000 0.976 577 D CB 0.495 41.342 40.800 0.078 0.000 1.443 577 D HN -0.081 nan 8.370 nan 0.000 0.515 578 D N -0.976 119.447 120.400 0.039 0.000 2.395 578 D HA 0.109 4.750 4.640 0.001 0.000 0.226 578 D C -0.426 175.876 176.300 0.004 0.000 1.146 578 D CA -0.307 53.703 54.000 0.017 0.000 0.830 578 D CB -0.365 40.441 40.800 0.010 0.000 0.958 578 D HN 0.161 nan 8.370 nan 0.000 0.501 579 S N 1.658 117.369 115.700 0.019 0.000 2.564 579 S HA 0.312 4.782 4.470 0.001 0.000 0.278 579 S C -2.286 172.277 174.600 -0.062 0.000 1.333 579 S CA -0.809 57.391 58.200 -0.001 0.000 1.048 579 S CB 0.827 64.047 63.200 0.033 0.000 0.900 579 S HN 0.165 nan 8.310 nan 0.000 0.505 580 P HA 0.189 nan 4.420 nan 0.000 0.267 580 P C -0.975 176.134 177.300 -0.318 0.000 1.205 580 P CA -0.451 62.505 63.100 -0.241 0.000 0.765 580 P CB 0.336 31.860 31.700 -0.294 0.000 0.828 581 L N 5.225 126.234 121.223 -0.356 0.000 2.265 581 L HA 0.290 4.630 4.340 0.001 0.000 0.289 581 L C -0.321 176.239 176.870 -0.517 0.000 1.033 581 L CA -0.242 54.384 54.840 -0.358 0.000 0.814 581 L CB -0.194 41.716 42.059 -0.249 0.000 1.203 581 L HN 0.411 nan 8.230 nan 0.000 0.423 582 H N 4.582 123.313 119.070 -0.565 0.000 2.548 582 H HA 0.515 5.072 4.556 0.001 0.000 0.331 582 H C -0.879 174.109 175.328 -0.566 0.000 1.093 582 H CA -0.573 55.069 56.048 -0.677 0.000 1.367 582 H CB 1.686 30.717 29.762 -1.218 0.000 1.455 582 H HN 0.375 nan 8.280 nan 0.000 0.519 583 V N 4.940 124.723 119.914 -0.218 0.000 2.525 583 V HA 0.160 4.280 4.120 0.001 0.000 0.299 583 V C -0.546 175.527 176.094 -0.034 0.000 1.034 583 V CA -0.747 61.475 62.300 -0.130 0.000 0.863 583 V CB 2.021 33.764 31.823 -0.133 0.000 0.999 583 V HN 0.425 nan 8.190 nan 0.000 0.423 584 L N 5.077 126.315 121.223 0.025 0.000 2.372 584 L HA 0.642 4.982 4.340 0.001 0.000 0.274 584 L C -0.255 176.637 176.870 0.036 0.000 0.988 584 L CA -0.350 54.522 54.840 0.053 0.000 0.833 584 L CB 1.545 43.669 42.059 0.109 0.000 1.236 584 L HN 0.725 nan 8.230 nan 0.000 0.410 585 R N 4.254 124.767 120.500 0.021 0.000 2.265 585 R HA 0.530 4.871 4.340 0.001 0.000 0.314 585 R C -0.969 175.349 176.300 0.029 0.000 1.053 585 R CA -0.146 55.967 56.100 0.022 0.000 0.931 585 R CB 0.691 30.996 30.300 0.008 0.000 1.024 585 R HN 0.865 nan 8.270 nan 0.000 0.457 586 E N 1.868 122.097 120.200 0.050 0.000 2.383 586 E HA 0.319 4.669 4.350 0.001 0.000 0.275 586 E C -1.485 175.157 176.600 0.070 0.000 0.918 586 E CA -1.053 55.374 56.400 0.045 0.000 0.764 586 E CB 1.989 31.704 29.700 0.026 0.000 1.252 586 E HN 0.304 nan 8.360 nan 0.000 0.449 587 T N 1.806 116.385 114.554 0.042 0.000 2.779 587 T HA 0.467 4.817 4.350 0.001 0.000 0.280 587 T C -0.516 174.205 174.700 0.035 0.000 0.987 587 T CA -0.723 61.407 62.100 0.049 0.000 0.966 587 T CB 0.707 69.586 68.868 0.019 0.000 0.933 587 T HN 0.294 nan 8.240 nan 0.000 0.442 588 R N 1.665 122.206 120.500 0.068 0.000 2.803 588 R HA 0.782 5.122 4.340 0.001 0.000 0.276 588 R C -0.766 175.539 176.300 0.009 0.000 0.978 588 R CA -0.842 55.261 56.100 0.004 0.000 0.939 588 R CB 2.043 32.300 30.300 -0.073 0.000 1.179 588 R HN 0.505 nan 8.270 nan 0.000 0.472 589 S N -0.342 115.343 115.700 -0.025 0.000 2.570 589 S HA 0.890 5.360 4.470 0.001 0.000 0.286 589 S C -0.735 173.837 174.600 -0.046 0.000 1.099 589 S CA -0.770 57.416 58.200 -0.023 0.000 0.913 589 S CB 2.341 65.532 63.200 -0.015 0.000 1.085 589 S HN 0.838 nan 8.310 nan 0.000 0.480 590 G N 0.830 109.598 108.800 -0.053 0.000 2.489 590 G HA2 0.523 4.484 3.960 0.001 0.000 0.291 590 G HA3 0.523 4.484 3.960 0.001 0.000 0.291 590 G C -1.277 173.575 174.900 -0.080 0.000 1.487 590 G CA -0.552 44.507 45.100 -0.069 0.000 0.795 590 G HN 0.891 nan 8.290 nan 0.000 0.513 591 S N -1.116 114.550 115.700 -0.057 0.000 2.621 591 S HA 0.492 4.962 4.470 0.001 0.000 0.302 591 S C 0.417 175.008 174.600 -0.015 0.000 1.093 591 S CA -0.725 57.471 58.200 -0.007 0.000 1.017 591 S CB 1.809 65.045 63.200 0.059 0.000 1.077 591 S HN 0.676 nan 8.310 nan 0.000 0.517 592 W N 1.244 122.592 121.300 0.081 0.000 2.392 592 W HA -0.069 4.592 4.660 0.001 0.000 0.279 592 W C 2.784 179.338 176.519 0.059 0.000 1.225 592 W CA 1.210 58.609 57.345 0.090 0.000 1.233 592 W CB -0.399 29.117 29.460 0.094 0.000 1.122 592 W HN 0.930 nan 8.180 nan 0.000 0.561 593 S N -0.690 115.149 115.700 0.232 0.000 2.442 593 S HA -0.066 4.404 4.470 0.001 0.000 0.236 593 S C 1.957 176.604 174.600 0.080 0.000 1.007 593 S CA 1.149 59.431 58.200 0.136 0.000 0.965 593 S CB -0.951 62.305 63.200 0.094 0.000 0.773 593 S HN 0.257 nan 8.310 nan 0.000 0.504 594 G N 1.015 109.847 108.800 0.052 0.000 2.650 594 G HA2 0.112 4.072 3.960 0.001 0.000 0.214 594 G HA3 0.112 4.072 3.960 0.001 0.000 0.214 594 G C 1.224 176.109 174.900 -0.026 0.000 1.136 594 G CA 0.757 45.856 45.100 -0.001 0.000 0.789 594 G HN 0.941 nan 8.290 nan 0.000 0.536 595 V N -3.843 116.088 119.914 0.028 0.000 3.556 595 V HA 0.406 4.526 4.120 0.001 0.000 0.287 595 V C 0.008 176.145 176.094 0.072 0.000 1.422 595 V CA -0.289 62.016 62.300 0.009 0.000 1.038 595 V CB 0.249 32.106 31.823 0.057 0.000 0.850 595 V HN 0.148 nan 8.190 nan 0.000 0.437 596 N N 0.020 118.787 118.700 0.111 0.000 2.493 596 N HA 0.292 5.033 4.740 0.001 0.000 0.279 596 N C -0.088 175.467 175.510 0.074 0.000 1.082 596 N CA -0.376 52.732 53.050 0.097 0.000 0.963 596 N CB 2.478 41.058 38.487 0.155 0.000 1.627 596 N HN 0.063 nan 8.380 nan 0.000 0.499 597 I N 3.139 123.732 120.570 0.039 0.000 2.567 597 I HA -0.056 4.114 4.170 0.001 0.000 0.257 597 I C 1.075 177.214 176.117 0.037 0.000 1.184 597 I CA 1.439 62.759 61.300 0.032 0.000 1.451 597 I CB -0.109 37.903 38.000 0.019 0.000 1.089 597 I HN 0.480 nan 8.210 nan 0.000 0.441 598 N N 0.582 119.304 118.700 0.035 0.000 2.336 598 N HA 0.122 4.862 4.740 0.001 0.000 0.189 598 N C 0.930 176.465 175.510 0.042 0.000 1.113 598 N CA 0.568 53.632 53.050 0.024 0.000 0.858 598 N CB 0.001 38.486 38.487 -0.002 0.000 0.970 598 N HN 0.384 nan 8.380 nan 0.000 0.471 599 G N 0.966 109.821 108.800 0.092 0.000 2.527 599 G HA2 0.225 4.185 3.960 0.001 0.000 0.248 599 G HA3 0.225 4.185 3.960 0.001 0.000 0.248 599 G C 0.352 175.336 174.900 0.139 0.000 1.231 599 G CA -0.324 44.867 45.100 0.152 0.000 0.838 599 G HN 0.177 nan 8.290 nan 0.000 0.570 600 S N 0.072 115.864 115.700 0.154 0.000 2.579 600 S HA 0.389 4.860 4.470 0.001 0.000 0.275 600 S C 1.371 176.062 174.600 0.152 0.000 1.345 600 S CA 0.092 58.369 58.200 0.127 0.000 1.031 600 S CB 1.619 64.889 63.200 0.116 0.000 0.892 600 S HN 1.244 nan 8.310 nan 0.000 0.529 601 A N 1.609 124.490 122.820 0.102 0.000 2.169 601 A HA 0.223 4.543 4.320 0.001 0.000 0.212 601 A C 1.124 178.760 177.584 0.085 0.000 1.153 601 A CA 0.098 52.185 52.037 0.084 0.000 0.756 601 A CB -0.985 18.049 19.000 0.056 0.000 0.813 601 A HN 0.833 nan 8.150 nan 0.000 0.471 602 T N 1.027 115.643 114.554 0.103 0.000 2.905 602 T HA 0.261 4.611 4.350 0.001 0.000 0.299 602 T C 0.065 174.824 174.700 0.098 0.000 1.024 602 T CA 0.221 62.380 62.100 0.098 0.000 1.151 602 T CB 0.755 69.693 68.868 0.116 0.000 0.987 602 T HN 0.033 nan 8.240 nan 0.000 0.535 603 V N 5.489 125.442 119.914 0.065 0.000 2.432 603 V HA 0.188 4.308 4.120 0.001 0.000 0.271 603 V C 0.341 176.463 176.094 0.048 0.000 1.046 603 V CA -0.502 61.824 62.300 0.044 0.000 0.945 603 V CB 1.173 33.011 31.823 0.026 0.000 0.992 603 V HN 0.732 nan 8.190 nan 0.000 0.471 604 Q N 3.896 123.716 119.800 0.033 0.000 2.245 604 Q HA 0.467 4.808 4.340 0.001 0.000 0.256 604 Q C -0.560 175.448 176.000 0.014 0.000 0.942 604 Q CA -0.287 55.539 55.803 0.038 0.000 0.896 604 Q CB 2.354 31.119 28.738 0.045 0.000 1.272 604 Q HN 0.777 nan 8.270 nan 0.000 0.442 605 Q N 2.286 122.101 119.800 0.023 0.000 2.321 605 Q HA 0.453 4.793 4.340 0.001 0.000 0.270 605 Q C -1.125 174.881 176.000 0.011 0.000 1.032 605 Q CA -0.591 55.222 55.803 0.017 0.000 0.784 605 Q CB 1.278 30.025 28.738 0.015 0.000 1.264 605 Q HN 0.372 nan 8.270 nan 0.000 0.448 606 R N 2.521 123.030 120.500 0.016 0.000 2.725 606 R HA 0.481 4.821 4.340 0.001 0.000 0.277 606 R C -1.031 175.238 176.300 -0.053 0.000 0.987 606 R CA -0.961 55.102 56.100 -0.062 0.000 0.901 606 R CB 1.518 31.721 30.300 -0.161 0.000 1.207 606 R HN 0.689 nan 8.270 nan 0.000 0.463 607 N N 1.399 119.990 118.700 -0.182 0.000 2.518 607 N HA 0.430 5.170 4.740 0.001 0.000 0.283 607 N C -0.776 174.516 175.510 -0.363 0.000 1.119 607 N CA 0.189 53.156 53.050 -0.140 0.000 0.983 607 N CB 0.631 39.049 38.487 -0.115 0.000 1.139 607 N HN 0.261 nan 8.380 nan 0.000 0.465 608 F N -0.102 119.736 119.950 -0.185 0.000 2.588 608 F HA 0.615 5.142 4.527 0.000 0.000 0.314 608 F C 0.062 175.769 175.800 -0.155 0.000 1.069 608 F CA -1.133 56.717 58.000 -0.250 0.000 0.931 608 F CB 1.541 40.331 39.000 -0.350 0.000 1.260 608 F HN 0.363 nan 8.300 nan 0.000 0.465 609 A N 1.117 123.946 122.820 0.016 0.000 2.288 609 A HA 0.750 5.071 4.320 0.001 0.000 0.320 609 A C -0.822 176.789 177.584 0.046 0.000 1.217 609 A CA -0.420 51.623 52.037 0.010 0.000 0.840 609 A CB 0.492 19.470 19.000 -0.038 0.000 1.179 609 A HN 0.666 nan 8.150 nan 0.000 0.504 610 T N 3.425 118.020 114.554 0.067 0.000 2.847 610 T HA 0.534 4.884 4.350 0.001 0.000 0.291 610 T C -0.872 173.860 174.700 0.052 0.000 0.998 610 T CA -0.100 62.065 62.100 0.107 0.000 0.967 610 T CB 0.392 69.348 68.868 0.147 0.000 0.954 610 T HN 0.380 nan 8.240 nan 0.000 0.441 611 L N 4.965 126.157 121.223 -0.053 0.000 2.333 611 L HA 0.700 5.040 4.340 0.001 0.000 0.280 611 L C -0.606 176.209 176.870 -0.092 0.000 1.004 611 L CA -0.819 53.914 54.840 -0.177 0.000 0.820 611 L CB 0.745 42.539 42.059 -0.442 0.000 1.247 611 L HN 0.735 nan 8.230 nan 0.000 0.416 612 Y N 0.780 120.948 120.300 -0.219 0.000 2.625 612 Y HA 0.872 5.422 4.550 0.001 0.000 0.338 612 Y C -1.283 174.524 175.900 -0.155 0.000 1.123 612 Y CA -1.529 56.433 58.100 -0.230 0.000 1.046 612 Y CB 1.302 39.630 38.460 -0.220 0.000 1.299 612 Y HN 0.123 nan 8.280 nan 0.000 0.464 613 V N 2.404 122.256 119.914 -0.103 0.000 2.483 613 V HA 0.368 4.489 4.120 0.001 0.000 0.295 613 V C -0.847 175.150 176.094 -0.161 0.000 1.035 613 V CA -0.737 61.470 62.300 -0.156 0.000 0.896 613 V CB 1.652 33.340 31.823 -0.225 0.000 0.986 613 V HN 0.782 nan 8.190 nan 0.000 0.447 614 N N 2.491 121.114 118.700 -0.128 0.000 2.469 614 N HA 0.276 5.016 4.740 0.001 0.000 0.253 614 N C 0.571 175.973 175.510 -0.180 0.000 0.970 614 N CA -0.330 52.635 53.050 -0.142 0.000 0.940 614 N CB 0.750 39.141 38.487 -0.161 0.000 1.128 614 N HN 0.637 nan 8.380 nan 0.000 0.503 615 H N 2.481 121.578 119.070 0.046 0.000 2.551 615 H HA 0.180 4.737 4.556 0.001 0.000 0.266 615 H C 1.218 176.559 175.328 0.021 0.000 0.977 615 H CA 0.758 56.831 56.048 0.042 0.000 1.163 615 H CB 0.069 29.858 29.762 0.045 0.000 1.381 615 H HN 0.784 nan 8.280 nan 0.000 0.581 616 G N 0.562 109.412 108.800 0.085 0.000 2.782 616 G HA2 -0.264 3.697 3.960 0.001 0.000 0.228 616 G HA3 -0.264 3.697 3.960 0.001 0.000 0.228 616 G C -0.372 174.551 174.900 0.038 0.000 1.372 616 G CA -0.232 44.894 45.100 0.043 0.000 0.862 616 G HN 0.200 nan 8.290 nan 0.000 0.547 617 V N 1.334 121.258 119.914 0.016 0.000 2.686 617 V HA 0.509 4.630 4.120 0.001 0.000 0.295 617 V C 1.839 177.940 176.094 0.012 0.000 1.055 617 V CA 1.527 63.831 62.300 0.007 0.000 1.050 617 V CB 0.770 32.591 31.823 -0.004 0.000 0.984 617 V HN 2.738 nan 8.190 nan 0.000 0.482 618 G N 5.043 113.846 108.800 0.006 0.000 2.366 618 G HA2 -0.167 3.793 3.960 0.001 0.000 0.299 618 G HA3 -0.167 3.793 3.960 0.001 0.000 0.299 618 G C -1.369 173.536 174.900 0.008 0.000 1.020 618 G CA -0.182 44.919 45.100 0.003 0.000 1.026 618 G HN 0.671 nan 8.290 nan 0.000 0.512 619 P HA 0.347 nan 4.420 nan 0.000 0.266 619 P C -0.081 177.216 177.300 -0.006 0.000 1.195 619 P CA -0.022 63.089 63.100 0.017 0.000 0.768 619 P CB 1.532 33.246 31.700 0.023 0.000 0.838 620 V N 2.628 122.539 119.914 -0.004 0.000 2.350 620 V HA 0.435 4.555 4.120 0.001 0.000 0.285 620 V C 0.707 176.787 176.094 -0.024 0.000 1.014 620 V CA -0.158 62.133 62.300 -0.015 0.000 0.831 620 V CB 0.479 32.297 31.823 -0.008 0.000 1.000 620 V HN 0.873 nan 8.190 nan 0.000 0.433 621 A N 3.658 126.451 122.820 -0.045 0.000 2.687 621 A HA -0.115 4.206 4.320 0.001 0.000 0.299 621 A C 1.010 178.559 177.584 -0.059 0.000 1.497 621 A CA 0.665 52.665 52.037 -0.063 0.000 0.751 621 A CB -1.486 17.485 19.000 -0.049 0.000 1.048 621 A HN 1.637 nan 8.150 nan 0.000 0.464 622 G N -0.379 108.378 108.800 -0.072 0.000 2.614 622 G HA2 0.612 4.572 3.960 0.001 0.000 0.239 622 G HA3 0.612 4.572 3.960 0.001 0.000 0.239 622 G C 0.301 175.140 174.900 -0.102 0.000 1.240 622 G CA 0.770 45.838 45.100 -0.053 0.000 0.842 622 G HN 2.266 nan 8.290 nan 0.000 0.584 623 S N -0.643 115.072 115.700 0.025 0.000 2.596 623 S HA 0.774 5.244 4.470 0.001 0.000 0.270 623 S C -1.101 173.641 174.600 0.235 0.000 1.155 623 S CA -0.871 57.325 58.200 -0.008 0.000 0.827 623 S CB 1.800 64.974 63.200 -0.043 0.000 1.130 623 S HN 1.605 nan 8.310 nan 0.000 0.467 624 Y N -1.615 118.780 120.300 0.158 0.000 2.625 624 Y HA 0.929 5.479 4.550 0.000 0.000 0.338 624 Y C -1.030 174.951 175.900 0.136 0.000 1.123 624 Y CA -1.101 57.121 58.100 0.203 0.000 1.046 624 Y CB 1.171 39.818 38.460 0.311 0.000 1.299 624 Y HN 1.301 nan 8.280 nan 0.000 0.464 625 A N 2.303 125.366 122.820 0.405 0.000 2.485 625 A HA 0.704 5.024 4.320 0.001 0.000 0.285 625 A C -1.998 175.799 177.584 0.355 0.000 1.045 625 A CA -0.579 51.616 52.037 0.262 0.000 0.792 625 A CB 0.253 19.316 19.000 0.105 0.000 1.307 625 A HN 1.448 nan 8.150 nan 0.000 0.406 626 Y N -0.357 120.077 120.300 0.222 0.000 2.705 626 Y HA 0.850 5.400 4.550 0.000 0.000 0.332 626 Y C -0.840 175.156 175.900 0.159 0.000 1.221 626 Y CA -1.288 56.913 58.100 0.168 0.000 1.059 626 Y CB 1.198 39.749 38.460 0.152 0.000 1.298 626 Y HN 0.940 nan 8.280 nan 0.000 0.459 627 M N 1.162 120.927 119.600 0.276 0.000 2.593 627 M HA 0.900 5.380 4.480 0.001 0.000 0.290 627 M C -2.202 174.238 176.300 0.233 0.000 1.244 627 M CA -1.084 54.288 55.300 0.121 0.000 0.857 627 M CB 2.676 35.237 32.600 -0.065 0.000 1.738 627 M HN 0.459 nan 8.290 nan 0.000 0.461 628 V N 1.468 121.434 119.914 0.088 0.000 2.540 628 V HA 0.852 4.972 4.120 0.001 0.000 0.302 628 V C -0.429 175.466 176.094 -0.332 0.000 1.035 628 V CA -0.601 61.642 62.300 -0.095 0.000 0.873 628 V CB 1.620 33.340 31.823 -0.172 0.000 0.992 628 V HN 0.995 nan 8.190 nan 0.000 0.428 629 A N 6.005 128.551 122.820 -0.458 0.000 2.842 629 A HA 0.748 5.068 4.320 0.001 0.000 0.339 629 A C -2.711 174.455 177.584 -0.697 0.000 1.177 629 A CA -1.552 50.198 52.037 -0.478 0.000 0.797 629 A CB 0.410 19.233 19.000 -0.295 0.000 1.094 629 A HN 0.579 nan 8.150 nan 0.000 0.474 630 P HA 0.251 nan 4.420 nan 0.000 0.265 630 P C 1.132 178.070 177.300 -0.603 0.000 1.193 630 P CA 1.811 64.276 63.100 -1.058 0.000 0.765 630 P CB 0.902 32.117 31.700 -0.809 0.000 0.823 631 G N 1.721 110.185 108.800 -0.560 0.000 2.179 631 G HA2 -0.211 3.749 3.960 0.001 0.000 0.260 631 G HA3 -0.211 3.749 3.960 0.001 0.000 0.260 631 G C 0.412 175.224 174.900 -0.146 0.000 0.977 631 G CA 0.095 45.057 45.100 -0.229 0.000 0.641 631 G HN 0.884 nan 8.290 nan 0.000 0.533 632 A N 0.651 123.347 122.820 -0.207 0.000 2.440 632 A HA 0.674 4.994 4.320 0.001 0.000 0.251 632 A C 1.122 178.720 177.584 0.023 0.000 1.089 632 A CA 0.950 52.926 52.037 -0.101 0.000 0.779 632 A CB 0.260 19.178 19.000 -0.136 0.000 1.022 632 A HN 1.991 nan 8.150 nan 0.000 0.492 633 S N 1.954 117.646 115.700 -0.014 0.000 2.580 633 S HA 0.169 4.639 4.470 0.001 0.000 0.266 633 S C 1.225 175.680 174.600 -0.242 0.000 1.354 633 S CA -0.136 58.021 58.200 -0.071 0.000 1.008 633 S CB 0.678 63.822 63.200 -0.094 0.000 0.898 633 S HN 0.771 nan 8.310 nan 0.000 0.555 634 V N 1.313 120.874 119.914 -0.589 0.000 2.324 634 V HA -0.204 3.916 4.120 0.001 0.000 0.250 634 V C 2.175 178.019 176.094 -0.417 0.000 1.060 634 V CA 2.429 64.369 62.300 -0.600 0.000 1.042 634 V CB -0.958 30.582 31.823 -0.471 0.000 0.650 634 V HN 0.850 nan 8.190 nan 0.000 0.450 635 D N -0.690 119.542 120.400 -0.279 0.000 2.149 635 D HA -0.094 4.547 4.640 0.001 0.000 0.201 635 D C 1.898 178.062 176.300 -0.226 0.000 0.972 635 D CA 0.847 54.712 54.000 -0.225 0.000 0.835 635 D CB -0.151 40.568 40.800 -0.135 0.000 0.966 635 D HN 0.331 nan 8.370 nan 0.000 0.476 636 L N 0.627 121.739 121.223 -0.185 0.000 2.109 636 L HA -0.074 4.266 4.340 0.001 0.000 0.207 636 L C 2.197 178.951 176.870 -0.194 0.000 1.086 636 L CA 1.473 56.230 54.840 -0.138 0.000 0.760 636 L CB -0.703 41.307 42.059 -0.083 0.000 0.910 636 L HN -0.062 nan 8.230 nan 0.000 0.437 637 T N -0.622 113.771 114.554 -0.269 0.000 2.652 637 T HA -0.263 4.087 4.350 0.001 0.000 0.267 637 T C 1.979 176.282 174.700 -0.662 0.000 1.039 637 T CA 1.710 63.606 62.100 -0.341 0.000 1.153 637 T CB -0.301 68.425 68.868 -0.238 0.000 0.863 637 T HN 0.317 nan 8.240 nan 0.000 0.428 638 R N 1.194 121.057 120.500 -1.063 0.000 2.159 638 R HA -0.090 4.251 4.340 0.001 0.000 0.237 638 R C 1.823 177.833 176.300 -0.484 0.000 1.131 638 R CA 1.419 56.772 56.100 -1.246 0.000 0.982 638 R CB -0.037 29.756 30.300 -0.846 0.000 0.868 638 R HN 0.327 nan 8.270 nan 0.000 0.453 639 K N 0.047 120.274 120.400 -0.287 0.000 2.393 639 K HA 0.073 4.393 4.320 0.001 0.000 0.193 639 K C 1.832 178.418 176.600 -0.023 0.000 1.026 639 K CA 0.090 56.310 56.287 -0.113 0.000 1.064 639 K CB 0.211 32.663 32.500 -0.080 0.000 0.833 639 K HN 0.155 nan 8.250 nan 0.000 0.521 640 L N 0.800 122.017 121.223 -0.010 0.000 2.043 640 L HA -0.215 4.126 4.340 0.001 0.000 0.212 640 L C 1.779 178.783 176.870 0.223 0.000 1.075 640 L CA 1.435 56.373 54.840 0.165 0.000 0.752 640 L CB -0.423 41.707 42.059 0.118 0.000 0.891 640 L HN 0.198 nan 8.230 nan 0.000 0.432 641 L N -0.868 120.441 121.223 0.143 0.000 2.612 641 L HA 0.069 4.410 4.340 0.001 0.000 0.230 641 L C 0.266 177.188 176.870 0.086 0.000 1.140 641 L CA -0.169 54.758 54.840 0.144 0.000 0.896 641 L CB -0.269 41.885 42.059 0.158 0.000 1.065 641 L HN 0.147 nan 8.230 nan 0.000 0.447 642 E N 0.372 120.605 120.200 0.054 0.000 2.204 642 E HA 0.411 4.761 4.350 0.001 0.000 0.276 642 E C 0.881 177.474 176.600 -0.012 0.000 0.974 642 E CA 0.034 56.447 56.400 0.021 0.000 0.815 642 E CB 1.559 31.266 29.700 0.012 0.000 1.119 642 E HN 0.161 nan 8.360 nan 0.000 0.393 643 G N 2.987 111.776 108.800 -0.018 0.000 2.143 643 G HA2 -0.396 3.564 3.960 0.001 0.000 0.248 643 G HA3 -0.396 3.564 3.960 0.001 0.000 0.248 643 G C 0.526 175.385 174.900 -0.068 0.000 0.991 643 G CA 0.446 45.522 45.100 -0.040 0.000 0.689 643 G HN 0.662 nan 8.290 nan 0.000 0.522 644 N N -0.781 117.884 118.700 -0.059 0.000 2.714 644 N HA -0.191 4.549 4.740 0.001 0.000 0.252 644 N C 1.447 176.853 175.510 -0.174 0.000 1.014 644 N CA 1.928 54.929 53.050 -0.081 0.000 0.735 644 N CB -0.844 37.608 38.487 -0.060 0.000 0.924 644 N HN 0.815 nan 8.380 nan 0.000 0.540 645 K N -0.899 119.328 120.400 -0.288 0.000 2.148 645 K HA -0.118 4.202 4.320 0.001 0.000 0.204 645 K C -0.109 175.983 176.600 -0.848 0.000 1.050 645 K CA 1.256 57.180 56.287 -0.605 0.000 0.942 645 K CB 0.014 31.981 32.500 -0.889 0.000 0.724 645 K HN 0.485 nan 8.250 nan 0.000 0.446 646 Y N -0.015 120.246 120.300 -0.065 0.000 2.686 646 Y HA 0.198 4.748 4.550 0.000 0.000 0.331 646 Y C -0.366 175.427 175.900 -0.179 0.000 0.996 646 Y CA -0.802 57.191 58.100 -0.179 0.000 1.293 646 Y CB 1.647 40.038 38.460 -0.115 0.000 1.092 646 Y HN -0.226 nan 8.280 nan 0.000 0.524 647 S N 3.090 118.693 115.700 -0.162 0.000 2.409 647 S HA 0.386 4.857 4.470 0.001 0.000 0.308 647 S C -0.207 174.304 174.600 -0.150 0.000 1.080 647 S CA -0.547 57.576 58.200 -0.128 0.000 1.081 647 S CB -0.221 62.903 63.200 -0.127 0.000 1.009 647 S HN 0.394 nan 8.310 nan 0.000 0.502 648 V N 7.835 127.687 119.914 -0.104 0.000 2.529 648 V HA 0.117 4.237 4.120 0.001 0.000 0.292 648 V C 1.216 177.249 176.094 -0.103 0.000 1.028 648 V CA 0.462 62.693 62.300 -0.116 0.000 1.074 648 V CB 0.579 32.362 31.823 -0.065 0.000 0.958 648 V HN 0.896 nan 8.190 nan 0.000 0.481 649 I N 3.393 123.885 120.570 -0.130 0.000 2.729 649 I HA 0.235 4.406 4.170 0.001 0.000 0.256 649 I C 1.133 177.209 176.117 -0.069 0.000 1.115 649 I CA 0.553 61.797 61.300 -0.092 0.000 1.446 649 I CB 0.243 38.182 38.000 -0.101 0.000 1.176 649 I HN 0.553 nan 8.210 nan 0.000 0.446 650 R N 0.761 121.207 120.500 -0.091 0.000 2.643 650 R HA 0.326 4.667 4.340 0.001 0.000 0.269 650 R C -1.683 174.576 176.300 -0.067 0.000 1.037 650 R CA -0.497 55.564 56.100 -0.065 0.000 0.894 650 R CB 1.509 31.773 30.300 -0.060 0.000 1.238 650 R HN -0.039 nan 8.270 nan 0.000 0.459 651 N N 2.483 121.157 118.700 -0.043 0.000 2.751 651 N HA 0.185 4.925 4.740 0.001 0.000 0.238 651 N C -2.138 173.348 175.510 -0.040 0.000 1.351 651 N CA -0.389 52.636 53.050 -0.042 0.000 0.751 651 N CB 0.759 39.210 38.487 -0.060 0.000 1.342 651 N HN 0.736 nan 8.380 nan 0.000 0.540 652 D N -0.127 120.265 120.400 -0.013 0.000 2.921 652 D HA 0.370 5.011 4.640 0.001 0.000 0.329 652 D C 0.434 176.735 176.300 0.002 0.000 1.293 652 D CA -0.342 53.644 54.000 -0.023 0.000 0.964 652 D CB 0.159 40.953 40.800 -0.010 0.000 1.435 652 D HN 0.056 nan 8.370 nan 0.000 0.548 653 A N -0.804 122.002 122.820 -0.023 0.000 2.172 653 A HA 0.045 4.365 4.320 0.001 0.000 0.216 653 A C 1.699 179.351 177.584 0.114 0.000 1.154 653 A CA 1.943 53.954 52.037 -0.043 0.000 0.701 653 A CB -0.897 18.065 19.000 -0.064 0.000 0.789 653 A HN 0.548 nan 8.150 nan 0.000 0.465 654 T N -0.715 113.931 114.554 0.154 0.000 2.901 654 T HA 0.492 4.842 4.350 0.001 0.000 0.252 654 T C 0.748 175.603 174.700 0.259 0.000 1.035 654 T CA 1.165 63.396 62.100 0.218 0.000 1.142 654 T CB 0.015 68.972 68.868 0.149 0.000 0.869 654 T HN 0.730 nan 8.240 nan 0.000 0.442 655 A N 0.321 123.228 122.820 0.146 0.000 2.610 655 A HA 0.723 5.043 4.320 0.001 0.000 0.291 655 A C -1.932 175.637 177.584 -0.024 0.000 1.086 655 A CA -0.844 51.139 52.037 -0.090 0.000 0.677 655 A CB 1.280 19.969 19.000 -0.517 0.000 1.278 655 A HN 0.230 nan 8.150 nan 0.000 0.414 656 Q N 0.141 119.898 119.800 -0.072 0.000 2.305 656 Q HA 0.704 5.044 4.340 0.001 0.000 0.271 656 Q C -1.075 174.852 176.000 -0.121 0.000 1.046 656 Q CA -0.573 55.246 55.803 0.028 0.000 0.798 656 Q CB 2.307 31.195 28.738 0.251 0.000 1.286 656 Q HN 0.795 nan 8.270 nan 0.000 0.435 657 S N 1.479 116.993 115.700 -0.310 0.000 2.535 657 S HA 0.705 5.175 4.470 0.001 0.000 0.272 657 S C -2.018 172.235 174.600 -0.577 0.000 1.149 657 S CA -0.601 57.261 58.200 -0.562 0.000 0.888 657 S CB 1.984 64.988 63.200 -0.327 0.000 1.110 657 S HN 0.418 nan 8.310 nan 0.000 0.463 658 V N 3.259 122.721 119.914 -0.753 0.000 2.925 658 V HA 0.713 4.833 4.120 0.001 0.000 0.311 658 V C -1.062 174.734 176.094 -0.497 0.000 1.104 658 V CA -0.542 61.417 62.300 -0.568 0.000 0.954 658 V CB 1.957 33.409 31.823 -0.619 0.000 1.022 658 V HN 0.996 nan 8.190 nan 0.000 0.427 659 E N 4.145 124.108 120.200 -0.395 0.000 2.166 659 E HA 0.442 4.793 4.350 0.001 0.000 0.275 659 E C -1.636 174.747 176.600 -0.362 0.000 0.941 659 E CA -0.650 55.569 56.400 -0.301 0.000 0.784 659 E CB 1.290 30.880 29.700 -0.183 0.000 1.115 659 E HN 0.591 nan 8.360 nan 0.000 0.399 660 F N 4.676 124.587 119.950 -0.064 0.000 2.404 660 F HA 0.193 4.720 4.527 0.000 0.000 0.359 660 F C 1.551 177.299 175.800 -0.086 0.000 1.134 660 F CA -0.289 57.695 58.000 -0.026 0.000 1.160 660 F CB 1.019 40.052 39.000 0.055 0.000 1.186 660 F HN 0.577 nan 8.300 nan 0.000 0.526 661 K N 1.344 121.724 120.400 -0.034 0.000 2.009 661 K HA -0.164 4.156 4.320 0.001 0.000 0.210 661 K C 1.735 178.329 176.600 -0.011 0.000 1.049 661 K CA 2.072 58.325 56.287 -0.057 0.000 0.929 661 K CB -0.072 32.352 32.500 -0.125 0.000 0.714 661 K HN 0.630 nan 8.250 nan 0.000 0.440 662 T N 0.549 115.101 114.554 -0.002 0.000 2.708 662 T HA -0.110 4.240 4.350 0.001 0.000 0.266 662 T C 1.800 176.529 174.700 0.048 0.000 1.037 662 T CA 1.421 63.534 62.100 0.021 0.000 1.146 662 T CB -0.320 68.566 68.868 0.029 0.000 0.865 662 T HN 0.436 nan 8.240 nan 0.000 0.435 663 A N 0.841 123.711 122.820 0.084 0.000 2.209 663 A HA 0.060 4.380 4.320 0.001 0.000 0.212 663 A C 0.994 178.603 177.584 0.043 0.000 1.158 663 A CA 0.638 52.717 52.037 0.071 0.000 0.742 663 A CB -0.515 18.522 19.000 0.062 0.000 0.790 663 A HN 0.601 nan 8.150 nan 0.000 0.472 664 K N -0.194 120.223 120.400 0.028 0.000 3.071 664 K HA -0.148 4.172 4.320 0.001 0.000 0.262 664 K C -0.739 175.821 176.600 -0.065 0.000 0.977 664 K CA 1.047 57.319 56.287 -0.025 0.000 0.721 664 K CB -2.255 30.213 32.500 -0.054 0.000 1.293 664 K HN 0.470 nan 8.250 nan 0.000 0.475 665 T N 0.124 114.663 114.554 -0.025 0.000 2.912 665 T HA 0.359 4.709 4.350 0.001 0.000 0.299 665 T C -0.355 174.271 174.700 -0.124 0.000 1.052 665 T CA -0.595 61.451 62.100 -0.090 0.000 0.996 665 T CB 2.173 71.041 68.868 0.001 0.000 1.070 665 T HN 0.022 nan 8.240 nan 0.000 0.465 666 T N 2.247 116.521 114.554 -0.467 0.000 2.856 666 T HA 0.784 5.135 4.350 0.001 0.000 0.283 666 T C -0.666 173.797 174.700 -0.395 0.000 1.008 666 T CA -0.600 61.173 62.100 -0.544 0.000 0.997 666 T CB 1.503 69.762 68.868 -1.016 0.000 0.992 666 T HN 0.802 nan 8.240 nan 0.000 0.454 667 A N 1.735 124.426 122.820 -0.215 0.000 2.386 667 A HA 0.972 5.293 4.320 0.001 0.000 0.311 667 A C -0.832 176.613 177.584 -0.232 0.000 1.068 667 A CA -0.811 51.193 52.037 -0.054 0.000 0.743 667 A CB 1.387 20.527 19.000 0.234 0.000 1.258 667 A HN 1.163 nan 8.150 nan 0.000 0.429 668 A N 0.888 123.747 122.820 0.066 0.000 2.549 668 A HA 0.879 5.200 4.320 0.001 0.000 0.297 668 A C -0.347 177.366 177.584 0.215 0.000 1.061 668 A CA 0.024 52.068 52.037 0.011 0.000 0.690 668 A CB 1.295 20.277 19.000 -0.030 0.000 1.287 668 A HN 1.817 nan 8.150 nan 0.000 0.402 669 T N -1.100 113.512 114.554 0.097 0.000 2.863 669 T HA 0.787 5.137 4.350 0.001 0.000 0.285 669 T C -0.946 173.514 174.700 -0.401 0.000 1.009 669 T CA -0.411 61.701 62.100 0.019 0.000 0.989 669 T CB 0.879 69.795 68.868 0.080 0.000 1.004 669 T HN 0.358 nan 8.240 nan 0.000 0.455 670 F N 1.220 121.065 119.950 -0.175 0.000 2.493 670 F HA 0.507 5.034 4.527 0.001 0.000 0.329 670 F C 0.083 175.773 175.800 -0.183 0.000 1.126 670 F CA -1.123 56.788 58.000 -0.150 0.000 0.937 670 F CB 1.607 40.575 39.000 -0.053 0.000 1.146 670 F HN 0.717 nan 8.300 nan 0.000 0.442 671 W N 1.127 122.674 121.300 0.410 0.000 2.683 671 W HA 0.275 4.935 4.660 0.000 0.000 0.267 671 W C 0.148 176.828 176.519 0.267 0.000 1.243 671 W CA -0.001 57.548 57.345 0.340 0.000 1.380 671 W CB 0.410 29.921 29.460 0.085 0.000 1.063 671 W HN 0.129 nan 8.180 nan 0.000 0.599 672 K N -0.398 120.242 120.400 0.400 0.000 2.480 672 K HA 0.330 4.650 4.320 0.001 0.000 0.258 672 K C -2.749 173.995 176.600 0.239 0.000 0.990 672 K CA -2.209 54.239 56.287 0.269 0.000 0.857 672 K CB 1.789 34.418 32.500 0.215 0.000 1.384 672 K HN -0.533 nan 8.250 nan 0.000 0.446 673 P HA 0.141 nan 4.420 nan 0.000 0.265 673 P C -0.379 177.001 177.300 0.133 0.000 1.193 673 P CA 0.167 63.324 63.100 0.095 0.000 0.765 673 P CB 0.692 32.422 31.700 0.050 0.000 0.823 674 G N 1.685 110.565 108.800 0.134 0.000 2.343 674 G HA2 0.369 4.330 3.960 0.001 0.000 0.289 674 G HA3 0.369 4.330 3.960 0.001 0.000 0.289 674 G C -1.833 173.214 174.900 0.244 0.000 1.295 674 G CA -0.754 44.447 45.100 0.168 0.000 0.869 674 G HN 0.289 nan 8.290 nan 0.000 0.522 675 M N 0.509 120.248 119.600 0.231 0.000 2.436 675 M HA 0.725 5.205 4.480 0.001 0.000 0.331 675 M C 0.032 176.485 176.300 0.255 0.000 1.135 675 M CA -0.889 54.563 55.300 0.253 0.000 0.987 675 M CB 1.418 34.096 32.600 0.130 0.000 1.687 675 M HN 1.270 nan 8.290 nan 0.000 0.445 676 A N 2.070 125.060 122.820 0.283 0.000 2.360 676 A HA 0.688 5.008 4.320 0.001 0.000 0.309 676 A C 0.743 178.398 177.584 0.118 0.000 1.311 676 A CA 0.193 52.287 52.037 0.095 0.000 0.805 676 A CB 0.104 19.046 19.000 -0.097 0.000 1.144 676 A HN 1.140 nan 8.150 nan 0.000 0.486 677 G N 2.888 111.735 108.800 0.078 0.000 2.596 677 G HA2 -0.355 3.605 3.960 0.001 0.000 0.304 677 G HA3 -0.355 3.605 3.960 0.001 0.000 0.304 677 G C 0.522 175.480 174.900 0.096 0.000 1.189 677 G CA 1.035 46.183 45.100 0.080 0.000 0.986 677 G HN 1.341 nan 8.290 nan 0.000 0.548 678 D N 0.321 120.786 120.400 0.108 0.000 2.363 678 D HA 0.408 5.048 4.640 0.001 0.000 0.214 678 D C 0.789 177.111 176.300 0.038 0.000 1.093 678 D CA 0.076 54.119 54.000 0.072 0.000 0.837 678 D CB 0.286 41.123 40.800 0.062 0.000 0.948 678 D HN 0.550 nan 8.370 nan 0.000 0.507 679 L N 0.902 122.184 121.223 0.098 0.000 2.309 679 L HA 0.718 5.059 4.340 0.001 0.000 0.282 679 L C 0.060 177.023 176.870 0.154 0.000 1.036 679 L CA -0.207 54.679 54.840 0.076 0.000 0.806 679 L CB 1.721 43.916 42.059 0.227 0.000 1.220 679 L HN 0.053 nan 8.230 nan 0.000 0.429 680 G N 3.018 111.798 108.800 -0.035 0.000 2.569 680 G HA2 0.856 4.816 3.960 0.001 0.000 0.300 680 G HA3 0.856 4.816 3.960 0.001 0.000 0.300 680 G C -1.892 172.674 174.900 -0.558 0.000 1.269 680 G CA -0.257 44.742 45.100 -0.168 0.000 0.959 680 G HN 0.971 nan 8.290 nan 0.000 0.478 681 A N -0.333 122.003 122.820 -0.806 0.000 2.539 681 A HA 0.698 5.018 4.320 0.001 0.000 0.296 681 A C 0.808 178.185 177.584 -0.345 0.000 1.073 681 A CA 0.249 51.852 52.037 -0.724 0.000 0.700 681 A CB 1.530 19.803 19.000 -1.212 0.000 1.296 681 A HN 1.601 nan 8.150 nan 0.000 0.405 682 S N 0.273 115.839 115.700 -0.224 0.000 2.558 682 S HA 0.479 4.949 4.470 0.001 0.000 0.217 682 S C 0.859 175.419 174.600 -0.067 0.000 0.975 682 S CA 0.770 58.903 58.200 -0.112 0.000 0.912 682 S CB -0.155 62.991 63.200 -0.091 0.000 0.776 682 S HN 2.204 nan 8.310 nan 0.000 0.526 683 G N 0.442 109.190 108.800 -0.086 0.000 2.428 683 G HA2 0.493 4.453 3.960 0.001 0.000 0.304 683 G HA3 0.493 4.453 3.960 0.001 0.000 0.304 683 G C -3.504 171.374 174.900 -0.037 0.000 1.303 683 G CA -1.137 43.952 45.100 -0.019 0.000 0.825 683 G HN 0.005 nan 8.290 nan 0.000 0.484 684 P HA 0.384 nan 4.420 nan 0.000 0.263 684 P C -0.222 176.867 177.300 -0.352 0.000 1.175 684 P CA 1.008 64.006 63.100 -0.170 0.000 0.761 684 P CB 0.967 32.468 31.700 -0.331 0.000 0.794 685 A N 2.625 125.225 122.820 -0.367 0.000 2.594 685 A HA 0.535 4.855 4.320 0.001 0.000 0.296 685 A C -1.270 176.207 177.584 -0.179 0.000 1.061 685 A CA -0.421 51.456 52.037 -0.266 0.000 0.689 685 A CB 0.826 19.744 19.000 -0.136 0.000 1.280 685 A HN 0.494 nan 8.150 nan 0.000 0.406 686 C N 1.410 120.614 119.300 -0.160 0.000 2.351 686 C HA 0.816 5.277 4.460 0.001 0.000 0.326 686 C C -0.032 175.014 174.990 0.094 0.000 1.272 686 C CA -0.434 58.600 59.018 0.028 0.000 1.650 686 C CB 0.591 28.339 27.740 0.013 0.000 2.257 686 C HN 0.688 nan 8.230 nan 0.000 0.505 687 V N 3.661 123.694 119.914 0.198 0.000 2.841 687 V HA 0.680 4.801 4.120 0.001 0.000 0.310 687 V C -0.723 175.499 176.094 0.213 0.000 1.090 687 V CA -0.494 61.925 62.300 0.199 0.000 0.930 687 V CB 1.969 33.951 31.823 0.265 0.000 1.014 687 V HN 0.644 nan 8.190 nan 0.000 0.425 688 V N 4.841 124.859 119.914 0.174 0.000 2.588 688 V HA 0.717 4.838 4.120 0.001 0.000 0.304 688 V C -0.806 175.392 176.094 0.173 0.000 1.042 688 V CA -0.549 61.827 62.300 0.127 0.000 0.877 688 V CB 1.579 33.456 31.823 0.090 0.000 0.996 688 V HN 0.854 nan 8.190 nan 0.000 0.425 689 F N 1.786 121.758 119.950 0.036 0.000 2.626 689 F HA 0.928 5.456 4.527 0.001 0.000 0.311 689 F C -0.528 175.265 175.800 -0.011 0.000 1.088 689 F CA -1.003 56.992 58.000 -0.009 0.000 0.949 689 F CB 2.180 41.151 39.000 -0.047 0.000 1.322 689 F HN 0.407 nan 8.300 nan 0.000 0.461 690 S N 1.673 117.470 115.700 0.162 0.000 2.592 690 S HA 0.447 4.917 4.470 0.001 0.000 0.275 690 S C -1.570 173.009 174.600 -0.034 0.000 1.169 690 S CA -0.784 57.412 58.200 -0.006 0.000 0.958 690 S CB 1.267 64.422 63.200 -0.074 0.000 1.095 690 S HN 1.065 nan 8.310 nan 0.000 0.471 691 R N 3.503 123.967 120.500 -0.059 0.000 2.349 691 R HA 0.414 4.754 4.340 0.001 0.000 0.299 691 R C -0.956 175.216 176.300 -0.212 0.000 1.027 691 R CA -0.380 55.706 56.100 -0.022 0.000 0.958 691 R CB 0.439 30.823 30.300 0.140 0.000 1.047 691 R HN 0.739 nan 8.270 nan 0.000 0.468 692 H N 3.735 122.868 119.070 0.105 0.000 2.786 692 H HA 0.199 4.756 4.556 0.001 0.000 0.284 692 H C 0.858 176.254 175.328 0.114 0.000 1.104 692 H CA 0.183 56.285 56.048 0.091 0.000 1.339 692 H CB 1.660 31.460 29.762 0.064 0.000 1.427 692 H HN 1.056 nan 8.280 nan 0.000 0.497 693 G N 4.233 113.143 108.800 0.183 0.000 2.620 693 G HA2 -0.429 3.531 3.960 0.001 0.000 0.315 693 G HA3 -0.429 3.531 3.960 0.001 0.000 0.315 693 G C 0.947 175.966 174.900 0.199 0.000 1.179 693 G CA 0.668 45.861 45.100 0.155 0.000 0.971 693 G HN 0.653 nan 8.290 nan 0.000 0.544 694 N N 2.294 121.109 118.700 0.193 0.000 2.276 694 N HA 0.200 4.940 4.740 0.001 0.000 0.212 694 N C 0.047 175.783 175.510 0.377 0.000 1.127 694 N CA 0.813 53.995 53.050 0.219 0.000 0.834 694 N CB 0.465 39.020 38.487 0.113 0.000 1.014 694 N HN 0.781 nan 8.380 nan 0.000 0.491 695 E N 0.475 120.896 120.200 0.368 0.000 2.234 695 E HA 0.314 4.665 4.350 0.001 0.000 0.266 695 E C -1.535 175.122 176.600 0.094 0.000 0.877 695 E CA -0.912 55.653 56.400 0.275 0.000 0.758 695 E CB 2.335 32.139 29.700 0.174 0.000 1.170 695 E HN 0.026 nan 8.360 nan 0.000 0.415 696 L N 2.218 123.272 121.223 -0.282 0.000 2.287 696 L HA 0.391 4.731 4.340 0.001 0.000 0.287 696 L C -0.899 175.825 176.870 -0.242 0.000 1.022 696 L CA -0.102 54.419 54.840 -0.532 0.000 0.814 696 L CB 1.573 42.753 42.059 -1.464 0.000 1.217 696 L HN 0.334 nan 8.230 nan 0.000 0.420 697 S N 5.527 121.200 115.700 -0.044 0.000 2.489 697 S HA 0.816 5.286 4.470 0.001 0.000 0.291 697 S C -0.699 173.917 174.600 0.026 0.000 1.151 697 S CA -0.406 57.803 58.200 0.016 0.000 1.082 697 S CB 1.075 64.344 63.200 0.116 0.000 1.019 697 S HN 0.463 nan 8.310 nan 0.000 0.492 698 L N 2.003 123.228 121.223 0.003 0.000 2.388 698 L HA 0.824 5.164 4.340 0.001 0.000 0.264 698 L C -0.332 176.558 176.870 0.032 0.000 0.998 698 L CA -0.549 54.312 54.840 0.036 0.000 0.817 698 L CB 1.911 43.954 42.059 -0.027 0.000 1.338 698 L HN 0.703 nan 8.230 nan 0.000 0.414 699 A N 2.125 124.979 122.820 0.056 0.000 2.342 699 A HA 0.938 5.259 4.320 0.001 0.000 0.323 699 A C -1.184 176.421 177.584 0.036 0.000 1.125 699 A CA -0.588 51.471 52.037 0.037 0.000 0.785 699 A CB 1.488 20.514 19.000 0.043 0.000 1.221 699 A HN 0.403 nan 8.150 nan 0.000 0.463 700 V N 1.761 121.678 119.914 0.005 0.000 2.808 700 V HA 0.718 4.839 4.120 0.001 0.000 0.308 700 V C -0.007 176.064 176.094 -0.039 0.000 1.099 700 V CA -0.340 61.952 62.300 -0.014 0.000 0.920 700 V CB 1.952 33.752 31.823 -0.037 0.000 1.014 700 V HN 1.214 nan 8.190 nan 0.000 0.425 701 S N 1.850 117.512 115.700 -0.064 0.000 2.599 701 S HA 0.732 5.202 4.470 0.001 0.000 0.294 701 S C -0.849 173.648 174.600 -0.172 0.000 1.094 701 S CA -0.688 57.453 58.200 -0.100 0.000 0.931 701 S CB 2.536 65.682 63.200 -0.089 0.000 1.093 701 S HN 0.718 nan 8.310 nan 0.000 0.488 702 E N 2.241 122.336 120.200 -0.175 0.000 2.173 702 E HA 0.322 4.672 4.350 0.001 0.000 0.249 702 E C -2.034 174.408 176.600 -0.265 0.000 0.923 702 E CA -2.466 53.800 56.400 -0.223 0.000 0.754 702 E CB 1.289 30.902 29.700 -0.144 0.000 1.177 702 E HN 0.525 nan 8.360 nan 0.000 0.430 703 P HA -0.035 nan 4.420 nan 0.000 0.236 703 P C 1.112 178.307 177.300 -0.175 0.000 1.177 703 P CA 0.576 63.442 63.100 -0.391 0.000 0.773 703 P CB 0.134 31.321 31.700 -0.855 0.000 0.878 704 T N -2.906 111.537 114.554 -0.185 0.000 2.915 704 T HA -0.138 4.213 4.350 0.001 0.000 0.269 704 T C 1.284 176.002 174.700 0.029 0.000 1.071 704 T CA 0.766 62.879 62.100 0.022 0.000 1.132 704 T CB -0.965 67.929 68.868 0.043 0.000 0.878 704 T HN 0.194 nan 8.240 nan 0.000 0.479 705 Q N -0.409 119.380 119.800 -0.018 0.000 2.424 705 Q HA -0.199 4.141 4.340 0.001 0.000 0.234 705 Q C 0.690 176.696 176.000 0.009 0.000 0.748 705 Q CA 1.398 57.200 55.803 -0.001 0.000 1.286 705 Q CB -1.541 27.211 28.738 0.023 0.000 1.494 705 Q HN 0.612 nan 8.270 nan 0.000 0.683 706 K N -0.998 119.405 120.400 0.006 0.000 2.481 706 K HA 0.400 4.721 4.320 0.001 0.000 0.210 706 K C 0.114 176.717 176.600 0.005 0.000 1.161 706 K CA 0.505 56.801 56.287 0.015 0.000 1.023 706 K CB 1.278 33.798 32.500 0.034 0.000 0.971 706 K HN 0.205 nan 8.250 nan 0.000 0.577 707 A N 0.881 123.693 122.820 -0.013 0.000 2.309 707 A HA 0.580 4.900 4.320 0.001 0.000 0.298 707 A C 0.988 178.558 177.584 -0.024 0.000 1.165 707 A CA -0.105 51.921 52.037 -0.019 0.000 0.821 707 A CB 0.855 19.833 19.000 -0.036 0.000 1.102 707 A HN 0.238 nan 8.150 nan 0.000 0.500 708 A N 2.233 125.043 122.820 -0.017 0.000 2.067 708 A HA 0.465 4.785 4.320 0.001 0.000 0.217 708 A C 1.138 178.707 177.584 -0.025 0.000 1.156 708 A CA 1.363 53.390 52.037 -0.016 0.000 0.683 708 A CB -0.245 18.750 19.000 -0.009 0.000 0.808 708 A HN 1.658 nan 8.150 nan 0.000 0.455 709 G N -1.792 106.989 108.800 -0.031 0.000 2.690 709 G HA2 0.553 4.513 3.960 0.001 0.000 0.291 709 G HA3 0.553 4.513 3.960 0.001 0.000 0.291 709 G C -1.848 173.018 174.900 -0.055 0.000 1.403 709 G CA -0.404 44.673 45.100 -0.040 0.000 0.864 709 G HN 0.612 nan 8.290 nan 0.000 0.480 710 L N -0.045 121.139 121.223 -0.066 0.000 2.513 710 L HA 0.774 5.114 4.340 0.001 0.000 0.261 710 L C -0.670 176.144 176.870 -0.092 0.000 0.945 710 L CA -0.244 54.542 54.840 -0.090 0.000 0.848 710 L CB 2.434 44.427 42.059 -0.111 0.000 1.334 710 L HN 0.536 nan 8.230 nan 0.000 0.407 711 T N 5.614 120.105 114.554 -0.105 0.000 2.786 711 T HA 0.624 4.975 4.350 0.001 0.000 0.283 711 T C -0.403 174.208 174.700 -0.148 0.000 0.992 711 T CA -0.336 61.703 62.100 -0.103 0.000 0.954 711 T CB 0.838 69.660 68.868 -0.077 0.000 0.934 711 T HN 0.453 nan 8.240 nan 0.000 0.440 712 L N 2.694 123.830 121.223 -0.145 0.000 2.325 712 L HA 0.483 4.823 4.340 0.001 0.000 0.279 712 L C 0.534 177.321 176.870 -0.138 0.000 1.054 712 L CA -0.818 53.913 54.840 -0.182 0.000 0.804 712 L CB 1.097 43.051 42.059 -0.176 0.000 1.200 712 L HN 0.528 nan 8.230 nan 0.000 0.436 713 T N 4.045 118.511 114.554 -0.147 0.000 2.738 713 T HA 0.437 4.787 4.350 0.001 0.000 0.298 713 T C 0.111 174.753 174.700 -0.098 0.000 0.962 713 T CA -0.431 61.615 62.100 -0.091 0.000 0.972 713 T CB 0.333 69.159 68.868 -0.070 0.000 0.928 713 T HN 0.263 nan 8.240 nan 0.000 0.474 714 L N 6.861 128.045 121.223 -0.065 0.000 2.380 714 L HA 0.358 4.698 4.340 0.001 0.000 0.273 714 L C -1.548 175.280 176.870 -0.070 0.000 1.138 714 L CA -1.891 52.889 54.840 -0.099 0.000 0.832 714 L CB 0.465 42.525 42.059 0.001 0.000 1.124 714 L HN 0.364 nan 8.230 nan 0.000 0.454 715 P HA 0.086 nan 4.420 nan 0.000 0.279 715 P C -0.522 176.836 177.300 0.097 0.000 1.282 715 P CA -0.168 62.820 63.100 -0.186 0.000 0.788 715 P CB 0.697 31.994 31.700 -0.671 0.000 1.139 716 E N -1.333 118.957 120.200 0.149 0.000 2.637 716 E HA -0.208 4.142 4.350 0.001 0.000 0.265 716 E C 0.869 177.633 176.600 0.274 0.000 1.073 716 E CA 1.462 58.025 56.400 0.271 0.000 0.778 716 E CB -2.107 27.827 29.700 0.391 0.000 1.362 716 E HN 1.021 nan 8.360 nan 0.000 0.413 717 G N -0.937 107.943 108.800 0.133 0.000 2.508 717 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 717 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 717 G C 0.044 174.821 174.900 -0.205 0.000 1.287 717 G CA 0.367 45.424 45.100 -0.072 0.000 0.916 717 G HN 0.792 nan 8.290 nan 0.000 0.574 718 T N -2.318 111.948 114.554 -0.479 0.000 2.928 718 T HA 0.665 5.016 4.350 0.001 0.000 0.284 718 T C -0.873 173.212 174.700 -1.024 0.000 1.008 718 T CA -0.124 61.693 62.100 -0.471 0.000 1.057 718 T CB 1.861 70.580 68.868 -0.249 0.000 1.018 718 T HN 0.997 nan 8.240 nan 0.000 0.493 719 W N 0.694 121.978 121.300 -0.027 0.000 2.900 719 W HA 0.509 5.169 4.660 0.000 0.000 0.336 719 W C 0.741 177.249 176.519 -0.018 0.000 1.064 719 W CA -0.790 56.542 57.345 -0.021 0.000 1.237 719 W CB 2.022 31.464 29.460 -0.029 0.000 1.391 719 W HN 0.866 nan 8.180 nan 0.000 0.468 720 S N -0.195 115.579 115.700 0.122 0.000 2.559 720 S HA 0.327 4.797 4.470 0.001 0.000 0.226 720 S C 0.365 175.012 174.600 0.077 0.000 1.030 720 S CA 0.262 58.500 58.200 0.064 0.000 0.956 720 S CB 0.155 63.359 63.200 0.006 0.000 0.900 720 S HN 0.379 nan 8.310 nan 0.000 0.510 721 S N 0.132 115.900 115.700 0.114 0.000 2.579 721 S HA 0.729 5.199 4.470 0.001 0.000 0.272 721 S C -1.161 173.495 174.600 0.094 0.000 1.141 721 S CA -0.767 57.484 58.200 0.085 0.000 0.843 721 S CB 1.638 64.876 63.200 0.063 0.000 1.122 721 S HN 0.165 nan 8.310 nan 0.000 0.468 722 V N 3.252 123.200 119.914 0.058 0.000 2.350 722 V HA 0.327 4.447 4.120 0.001 0.000 0.276 722 V C 0.851 176.965 176.094 0.034 0.000 1.028 722 V CA -0.498 61.825 62.300 0.039 0.000 0.860 722 V CB 0.507 32.343 31.823 0.021 0.000 0.990 722 V HN 0.932 nan 8.190 nan 0.000 0.453 723 L N 3.094 124.337 121.223 0.035 0.000 2.102 723 L HA 0.215 4.555 4.340 0.001 0.000 0.202 723 L C 0.775 177.655 176.870 0.017 0.000 1.076 723 L CA 1.133 55.991 54.840 0.030 0.000 0.761 723 L CB 0.173 42.254 42.059 0.037 0.000 0.921 723 L HN 0.611 nan 8.230 nan 0.000 0.444 724 E N -1.125 119.080 120.200 0.009 0.000 2.266 724 E HA 0.519 4.869 4.350 0.001 0.000 0.268 724 E C -0.225 176.373 176.600 -0.003 0.000 0.879 724 E CA -0.079 56.322 56.400 0.002 0.000 0.762 724 E CB 2.153 31.853 29.700 -0.001 0.000 1.199 724 E HN 0.179 nan 8.360 nan 0.000 0.422 725 G N 1.353 110.151 108.800 -0.003 0.000 2.660 725 G HA2 0.095 4.056 3.960 0.001 0.000 0.215 725 G HA3 0.095 4.056 3.960 0.001 0.000 0.215 725 G C -0.863 174.033 174.900 -0.007 0.000 1.345 725 G CA -0.468 44.628 45.100 -0.007 0.000 0.877 725 G HN 0.799 nan 8.290 nan 0.000 0.549 726 A N -0.887 121.927 122.820 -0.011 0.000 2.380 726 A HA 1.246 5.566 4.320 0.001 0.000 0.315 726 A C 0.619 178.194 177.584 -0.016 0.000 1.101 726 A CA 0.639 52.669 52.037 -0.011 0.000 0.771 726 A CB 1.668 20.662 19.000 -0.011 0.000 1.287 726 A HN 2.918 nan 8.150 nan 0.000 0.436 727 G N -0.559 108.233 108.800 -0.013 0.000 2.352 727 G HA2 0.471 4.431 3.960 0.001 0.000 0.305 727 G HA3 0.471 4.431 3.960 0.001 0.000 0.305 727 G C -0.976 173.918 174.900 -0.011 0.000 1.537 727 G CA -0.361 44.728 45.100 -0.018 0.000 0.959 727 G HN 0.919 nan 8.290 nan 0.000 0.668 728 T N 1.853 116.399 114.554 -0.013 0.000 2.772 728 T HA 0.548 4.899 4.350 0.001 0.000 0.288 728 T C 0.632 175.330 174.700 -0.003 0.000 0.994 728 T CA -0.325 61.772 62.100 -0.006 0.000 0.951 728 T CB 0.825 69.688 68.868 -0.008 0.000 0.933 728 T HN 0.491 nan 8.240 nan 0.000 0.447 729 L N 3.091 124.320 121.223 0.009 0.000 2.380 729 L HA 0.648 4.989 4.340 0.001 0.000 0.273 729 L C 1.022 177.901 176.870 0.014 0.000 1.138 729 L CA -0.054 54.798 54.840 0.020 0.000 0.832 729 L CB 0.588 42.673 42.059 0.042 0.000 1.124 729 L HN 0.778 nan 8.230 nan 0.000 0.454 730 G N 1.319 110.127 108.800 0.013 0.000 2.788 730 G HA2 0.688 4.648 3.960 0.001 0.000 0.293 730 G HA3 0.688 4.648 3.960 0.001 0.000 0.293 730 G C -1.456 173.449 174.900 0.008 0.000 1.392 730 G CA -0.314 44.789 45.100 0.006 0.000 0.810 730 G HN 0.376 nan 8.290 nan 0.000 0.508 731 T N 0.874 115.429 114.554 0.001 0.000 2.971 731 T HA 0.519 4.870 4.350 0.001 0.000 0.304 731 T C -0.831 173.867 174.700 -0.004 0.000 1.038 731 T CA -0.544 61.556 62.100 -0.000 0.000 1.007 731 T CB 1.840 70.706 68.868 -0.003 0.000 1.055 731 T HN 0.827 nan 8.240 nan 0.000 0.451 732 D N 1.693 122.090 120.400 -0.005 0.000 2.511 732 D HA 0.549 5.189 4.640 0.001 0.000 0.276 732 D C 1.471 177.768 176.300 -0.005 0.000 1.220 732 D CA -0.624 53.372 54.000 -0.006 0.000 1.077 732 D CB 0.265 41.060 40.800 -0.009 0.000 1.126 732 D HN 0.444 nan 8.370 nan 0.000 0.583 733 A N -0.804 122.013 122.820 -0.004 0.000 2.066 733 A HA -0.097 4.224 4.320 0.001 0.000 0.218 733 A C 1.416 178.999 177.584 -0.002 0.000 1.157 733 A CA 1.110 53.146 52.037 -0.003 0.000 0.670 733 A CB -0.485 18.514 19.000 -0.001 0.000 0.804 733 A HN 0.591 nan 8.150 nan 0.000 0.453 734 D N -1.417 118.982 120.400 -0.002 0.000 2.340 734 D HA 0.255 4.895 4.640 0.001 0.000 0.217 734 D C 1.184 177.481 176.300 -0.004 0.000 1.081 734 D CA 0.821 54.820 54.000 -0.001 0.000 0.842 734 D CB 0.314 41.115 40.800 0.002 0.000 0.934 734 D HN 0.544 nan 8.370 nan 0.000 0.511 735 G N 2.073 110.870 108.800 -0.006 0.000 2.159 735 G HA2 -0.307 3.653 3.960 0.001 0.000 0.256 735 G HA3 -0.307 3.653 3.960 0.001 0.000 0.256 735 G C 0.355 175.249 174.900 -0.010 0.000 0.977 735 G CA -0.225 44.869 45.100 -0.010 0.000 0.652 735 G HN 0.254 nan 8.290 nan 0.000 0.531 736 R N 0.635 121.132 120.500 -0.003 0.000 2.410 736 R HA 0.541 4.881 4.340 0.001 0.000 0.288 736 R C 0.383 176.691 176.300 0.013 0.000 1.051 736 R CA -0.128 55.975 56.100 0.005 0.000 1.021 736 R CB 0.858 31.161 30.300 0.006 0.000 1.032 736 R HN 0.197 nan 8.270 nan 0.000 0.481 737 S N 1.184 116.907 115.700 0.038 0.000 2.564 737 S HA 0.138 4.608 4.470 0.001 0.000 0.278 737 S C 0.289 174.914 174.600 0.042 0.000 1.333 737 S CA -0.465 57.772 58.200 0.061 0.000 1.048 737 S CB 1.039 64.324 63.200 0.141 0.000 0.900 737 S HN 0.662 nan 8.310 nan 0.000 0.505 738 T N 0.298 114.865 114.554 0.021 0.000 2.932 738 T HA 0.726 5.076 4.350 0.001 0.000 0.289 738 T C -0.889 173.804 174.700 -0.013 0.000 1.039 738 T CA -0.905 61.188 62.100 -0.011 0.000 1.024 738 T CB 1.178 70.032 68.868 -0.023 0.000 1.090 738 T HN 0.320 nan 8.240 nan 0.000 0.496 739 L N 1.644 122.843 121.223 -0.041 0.000 2.404 739 L HA 0.615 4.956 4.340 0.001 0.000 0.272 739 L C -0.616 176.222 176.870 -0.054 0.000 0.980 739 L CA -0.099 54.715 54.840 -0.044 0.000 0.836 739 L CB 2.036 44.058 42.059 -0.062 0.000 1.238 739 L HN 0.945 nan 8.230 nan 0.000 0.408 740 T N 6.184 120.713 114.554 -0.041 0.000 2.771 740 T HA 0.634 4.984 4.350 0.001 0.000 0.281 740 T C -0.333 174.342 174.700 -0.040 0.000 0.982 740 T CA -0.245 61.829 62.100 -0.044 0.000 0.978 740 T CB 0.715 69.563 68.868 -0.033 0.000 0.930 740 T HN 0.405 nan 8.240 nan 0.000 0.447 741 L N 2.665 123.859 121.223 -0.048 0.000 2.334 741 L HA 0.521 4.861 4.340 0.001 0.000 0.276 741 L C 0.034 176.881 176.870 -0.039 0.000 1.014 741 L CA -1.129 53.685 54.840 -0.044 0.000 0.815 741 L CB 1.477 43.503 42.059 -0.054 0.000 1.268 741 L HN 0.485 nan 8.230 nan 0.000 0.428 742 D N 0.950 121.331 120.400 -0.031 0.000 2.313 742 D HA 0.142 4.782 4.640 0.001 0.000 0.239 742 D C 0.677 176.959 176.300 -0.030 0.000 1.142 742 D CA -0.213 53.771 54.000 -0.027 0.000 0.847 742 D CB 1.385 42.174 40.800 -0.019 0.000 1.082 742 D HN 0.636 nan 8.370 nan 0.000 0.480 743 T N -0.427 114.107 114.554 -0.033 0.000 3.092 743 T HA 0.104 4.454 4.350 0.001 0.000 0.258 743 T C 0.622 175.305 174.700 -0.027 0.000 1.031 743 T CA -0.417 61.661 62.100 -0.037 0.000 0.925 743 T CB -0.361 68.475 68.868 -0.054 0.000 1.036 743 T HN 0.236 nan 8.240 nan 0.000 0.544 744 T N 2.891 117.433 114.554 -0.020 0.000 2.822 744 T HA 0.387 4.737 4.350 0.001 0.000 0.288 744 T C 1.514 176.209 174.700 -0.008 0.000 0.991 744 T CA 0.973 63.066 62.100 -0.012 0.000 1.176 744 T CB -0.200 68.663 68.868 -0.008 0.000 0.951 744 T HN 0.814 nan 8.240 nan 0.000 0.526 745 G N 3.034 111.832 108.800 -0.004 0.000 2.153 745 G HA2 -0.259 3.701 3.960 0.001 0.000 0.252 745 G HA3 -0.259 3.701 3.960 0.001 0.000 0.252 745 G C 0.793 175.693 174.900 0.001 0.000 0.994 745 G CA 0.167 45.269 45.100 0.003 0.000 0.698 745 G HN 0.722 nan 8.290 nan 0.000 0.521 746 L N 0.237 121.455 121.223 -0.008 0.000 2.478 746 L HA 0.080 4.421 4.340 0.001 0.000 0.223 746 L C 1.821 178.688 176.870 -0.006 0.000 1.140 746 L CA 0.963 55.795 54.840 -0.013 0.000 0.842 746 L CB -0.222 41.821 42.059 -0.027 0.000 0.953 746 L HN 0.439 nan 8.230 nan 0.000 0.452 747 S N 0.164 115.867 115.700 0.005 0.000 3.581 747 S HA -0.222 4.249 4.470 0.001 0.000 0.354 747 S C 1.247 175.850 174.600 0.006 0.000 1.059 747 S CA 0.607 58.820 58.200 0.022 0.000 1.060 747 S CB -1.781 61.452 63.200 0.055 0.000 0.908 747 S HN 0.837 nan 8.310 nan 0.000 0.475 748 G N -0.288 108.502 108.800 -0.017 0.000 2.184 748 G HA2 -0.340 3.621 3.960 0.001 0.000 0.264 748 G HA3 -0.340 3.621 3.960 0.001 0.000 0.264 748 G C -0.005 174.877 174.900 -0.031 0.000 0.975 748 G CA 0.799 45.881 45.100 -0.030 0.000 0.642 748 G HN 0.694 nan 8.290 nan 0.000 0.536 749 K N 0.530 120.914 120.400 -0.026 0.000 2.219 749 K HA 0.452 4.773 4.320 0.001 0.000 0.258 749 K C 0.365 176.945 176.600 -0.035 0.000 1.008 749 K CA 0.088 56.357 56.287 -0.029 0.000 0.928 749 K CB 0.492 32.978 32.500 -0.023 0.000 0.983 749 K HN 0.087 nan 8.250 nan 0.000 0.484 750 T N 2.683 117.218 114.554 -0.032 0.000 2.856 750 T HA 0.154 4.504 4.350 0.001 0.000 0.292 750 T C -0.164 174.522 174.700 -0.024 0.000 0.980 750 T CA -0.514 61.570 62.100 -0.027 0.000 1.091 750 T CB 0.599 69.456 68.868 -0.019 0.000 0.936 750 T HN 0.168 nan 8.240 nan 0.000 0.503 751 K N 3.341 123.727 120.400 -0.025 0.000 2.185 751 K HA 0.469 4.789 4.320 0.001 0.000 0.269 751 K C -0.529 176.062 176.600 -0.015 0.000 0.987 751 K CA -0.486 55.788 56.287 -0.022 0.000 0.865 751 K CB 1.633 34.115 32.500 -0.029 0.000 1.090 751 K HN 0.504 nan 8.250 nan 0.000 0.450 752 L N 4.621 125.837 121.223 -0.011 0.000 2.295 752 L HA 0.528 4.869 4.340 0.001 0.000 0.285 752 L C -0.242 176.620 176.870 -0.013 0.000 1.035 752 L CA -0.902 53.934 54.840 -0.006 0.000 0.806 752 L CB 0.781 42.840 42.059 -0.001 0.000 1.214 752 L HN 0.394 nan 8.230 nan 0.000 0.426 753 I N 3.200 123.758 120.570 -0.019 0.000 2.608 753 I HA 0.456 4.626 4.170 0.001 0.000 0.295 753 I C -0.454 175.639 176.117 -0.039 0.000 1.049 753 I CA -0.450 60.831 61.300 -0.032 0.000 1.063 753 I CB 2.185 40.156 38.000 -0.048 0.000 1.248 753 I HN 0.430 nan 8.210 nan 0.000 0.424 754 K N 5.991 126.370 120.400 -0.035 0.000 2.471 754 K HA 0.727 5.047 4.320 0.001 0.000 0.252 754 K C -1.792 174.789 176.600 -0.033 0.000 0.938 754 K CA -0.490 55.774 56.287 -0.039 0.000 0.796 754 K CB 1.422 33.916 32.500 -0.009 0.000 1.161 754 K HN 0.581 nan 8.250 nan 0.000 0.425 755 L N 2.913 124.090 121.223 -0.076 0.000 2.334 755 L HA 0.560 4.900 4.340 0.001 0.000 0.272 755 L C -0.323 176.649 176.870 0.169 0.000 1.020 755 L CA -1.038 53.812 54.840 0.017 0.000 0.812 755 L CB 1.780 43.799 42.059 -0.066 0.000 1.264 755 L HN 0.542 nan 8.230 nan 0.000 0.439 756 K N 1.680 122.251 120.400 0.285 0.000 2.221 756 K HA 0.407 4.728 4.320 0.001 0.000 0.258 756 K C -0.192 176.640 176.600 0.386 0.000 0.944 756 K CA -0.758 55.730 56.287 0.335 0.000 0.823 756 K CB 1.965 34.566 32.500 0.169 0.000 1.113 756 K HN 0.488 nan 8.250 nan 0.000 0.431 757 R N 0.000 120.653 120.500 0.256 0.000 2.786 757 R HA 0.000 4.340 4.340 0.001 0.000 0.208 757 R CA 0.000 55.979 56.100 -0.202 0.000 0.921 757 R CB 0.000 30.101 30.300 -0.331 0.000 0.687 757 R HN 0.000 nan 8.270 nan 0.000 0.535