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 2weu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESXXXX XXXVGEATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGXXXXSFS EACYLTHRLC EAKRAPRMLD GSLFAXXXXX DATA SEQUENCE XLGRSTLAEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.049 0.000 1.302 2 I N -0.896 119.647 120.570 -0.044 0.000 3.079 2 I HA 0.514 4.626 4.170 -0.096 0.000 0.295 2 I C 0.697 176.840 176.117 0.044 0.000 1.094 2 I CA -0.225 61.079 61.300 0.007 0.000 1.295 2 I CB 0.968 38.939 38.000 -0.049 0.000 1.443 2 I HN 0.954 nan 8.210 nan 0.000 0.607 3 R N 1.581 122.119 120.500 0.064 0.000 2.350 3 R HA 0.261 4.543 4.340 -0.096 0.000 0.199 3 R C -0.259 176.079 176.300 0.063 0.000 0.876 3 R CA 0.619 56.749 56.100 0.051 0.000 1.062 3 R CB 0.386 30.709 30.300 0.037 0.000 1.263 3 R HN 0.915 nan 8.270 nan 0.000 0.641 4 S N 0.124 115.860 115.700 0.060 0.000 2.536 4 S HA 0.639 5.052 4.470 -0.096 0.000 0.287 4 S C -0.826 173.761 174.600 -0.021 0.000 1.101 4 S CA -0.796 57.414 58.200 0.018 0.000 0.950 4 S CB 2.562 65.751 63.200 -0.017 0.000 1.056 4 S HN -0.063 nan 8.310 nan 0.000 0.481 5 V N 2.130 122.018 119.914 -0.044 0.000 2.588 5 V HA 0.593 4.655 4.120 -0.096 0.000 0.304 5 V C -0.767 175.200 176.094 -0.212 0.000 1.042 5 V CA -0.692 61.541 62.300 -0.111 0.000 0.877 5 V CB 1.783 33.625 31.823 0.031 0.000 0.996 5 V HN 0.849 nan 8.190 nan 0.000 0.425 6 V N 6.093 125.768 119.914 -0.399 0.000 2.378 6 V HA 0.510 4.572 4.120 -0.096 0.000 0.288 6 V C -0.242 175.728 176.094 -0.206 0.000 1.016 6 V CA -0.359 61.739 62.300 -0.337 0.000 0.840 6 V CB 1.667 33.186 31.823 -0.507 0.000 0.994 6 V HN 0.693 nan 8.190 nan 0.000 0.431 7 I N 5.218 125.697 120.570 -0.153 0.000 2.321 7 I HA 0.393 4.506 4.170 -0.096 0.000 0.291 7 I C -0.385 175.659 176.117 -0.122 0.000 0.998 7 I CA -0.686 60.525 61.300 -0.148 0.000 1.227 7 I CB 1.837 39.704 38.000 -0.222 0.000 1.368 7 I HN 0.274 nan 8.210 nan 0.000 0.466 8 V N 5.882 125.752 119.914 -0.073 0.000 2.333 8 V HA 0.793 4.855 4.120 -0.096 0.000 0.274 8 V C 0.460 176.499 176.094 -0.090 0.000 1.028 8 V CA -0.369 61.897 62.300 -0.057 0.000 0.851 8 V CB 0.485 32.306 31.823 -0.004 0.000 1.000 8 V HN 1.072 nan 8.190 nan 0.000 0.456 9 G N 3.498 112.233 108.800 -0.109 0.000 2.742 9 G HA2 0.326 4.229 3.960 -0.096 0.000 0.686 9 G HA3 0.326 4.229 3.960 -0.096 0.000 0.686 9 G C -0.058 174.720 174.900 -0.202 0.000 1.220 9 G CA -0.338 44.694 45.100 -0.114 0.000 0.783 9 G HN 1.060 nan 8.290 nan 0.000 0.646 10 G N 0.013 108.730 108.800 -0.138 0.000 3.182 10 G HA2 1.009 4.911 3.960 -0.096 0.000 0.167 10 G HA3 1.009 4.911 3.960 -0.096 0.000 0.167 10 G C 1.386 176.258 174.900 -0.047 0.000 1.537 10 G CA 1.174 46.161 45.100 -0.189 0.000 1.046 10 G HN 2.676 nan 8.290 nan 0.000 0.580 11 G N -1.706 107.199 108.800 0.174 0.000 2.645 11 G HA2 -0.174 3.729 3.960 -0.096 0.000 0.246 11 G HA3 -0.174 3.729 3.960 -0.096 0.000 0.246 11 G C 1.041 176.040 174.900 0.164 0.000 1.322 11 G CA 0.801 45.992 45.100 0.152 0.000 0.898 11 G HN 1.052 nan 8.290 nan 0.000 0.573 12 T N 1.002 115.608 114.554 0.086 0.000 2.746 12 T HA 0.085 4.377 4.350 -0.096 0.000 0.267 12 T C 2.889 177.584 174.700 -0.009 0.000 1.039 12 T CA 3.043 65.173 62.100 0.050 0.000 1.142 12 T CB -0.610 68.282 68.868 0.039 0.000 0.866 12 T HN 1.486 nan 8.240 nan 0.000 0.444 13 A N 1.346 124.140 122.820 -0.042 0.000 1.873 13 A HA 0.164 4.426 4.320 -0.096 0.000 0.215 13 A C 2.632 180.151 177.584 -0.108 0.000 1.186 13 A CA 1.795 53.782 52.037 -0.083 0.000 0.616 13 A CB -1.343 17.609 19.000 -0.080 0.000 0.823 13 A HN 0.503 nan 8.150 nan 0.000 0.442 14 G N -1.707 107.000 108.800 -0.156 0.000 2.418 14 G HA2 -0.224 3.678 3.960 -0.096 0.000 0.217 14 G HA3 -0.224 3.678 3.960 -0.096 0.000 0.217 14 G C 1.413 176.100 174.900 -0.355 0.000 1.158 14 G CA 0.888 45.797 45.100 -0.317 0.000 0.771 14 G HN 0.666 nan 8.290 nan 0.000 0.545 15 W N 0.129 121.409 121.300 -0.034 0.000 2.576 15 W HA 0.297 4.899 4.660 -0.097 0.000 0.270 15 W C 2.815 179.344 176.519 0.018 0.000 1.255 15 W CA -0.126 57.206 57.345 -0.021 0.000 1.314 15 W CB -0.007 29.430 29.460 -0.038 0.000 1.101 15 W HN 0.086 nan 8.180 nan 0.000 0.595 16 M N -0.465 119.233 119.600 0.163 0.000 2.175 16 M HA -0.165 4.258 4.480 -0.096 0.000 0.264 16 M C 1.916 178.329 176.300 0.190 0.000 1.063 16 M CA 1.736 57.131 55.300 0.159 0.000 1.119 16 M CB -0.805 31.677 32.600 -0.197 0.000 1.377 16 M HN -0.159 nan 8.290 nan 0.000 0.415 17 T N 0.744 115.325 114.554 0.044 0.000 2.737 17 T HA -0.079 4.214 4.350 -0.096 0.000 0.265 17 T C 1.917 176.656 174.700 0.066 0.000 1.038 17 T CA 1.512 63.625 62.100 0.022 0.000 1.144 17 T CB -0.366 68.462 68.868 -0.067 0.000 0.866 17 T HN 0.480 nan 8.240 nan 0.000 0.434 18 A N 2.107 124.951 122.820 0.041 0.000 1.883 18 A HA -0.148 4.114 4.320 -0.096 0.000 0.217 18 A C 2.616 180.309 177.584 0.181 0.000 1.186 18 A CA 2.425 54.509 52.037 0.079 0.000 0.624 18 A CB -1.015 18.021 19.000 0.061 0.000 0.822 18 A HN 0.616 nan 8.150 nan 0.000 0.444 19 S N -1.991 113.871 115.700 0.269 0.000 2.368 19 S HA -0.190 4.222 4.470 -0.096 0.000 0.224 19 S C 1.974 176.687 174.600 0.189 0.000 1.029 19 S CA 1.390 59.773 58.200 0.306 0.000 0.988 19 S CB -0.808 62.535 63.200 0.238 0.000 0.838 19 S HN 0.569 nan 8.310 nan 0.000 0.462 20 Y N 2.283 122.578 120.300 -0.008 0.000 2.200 20 Y HA 0.084 4.577 4.550 -0.096 0.000 0.290 20 Y C 2.150 177.927 175.900 -0.205 0.000 1.137 20 Y CA 1.257 59.267 58.100 -0.150 0.000 1.163 20 Y CB -0.383 38.008 38.460 -0.115 0.000 0.988 20 Y HN 0.176 nan 8.280 nan 0.000 0.518 21 L N -0.147 121.062 121.223 -0.023 0.000 2.043 21 L HA -0.297 3.986 4.340 -0.096 0.000 0.212 21 L C 2.450 179.193 176.870 -0.212 0.000 1.075 21 L CA 1.474 56.178 54.840 -0.226 0.000 0.752 21 L CB -0.528 41.489 42.059 -0.070 0.000 0.891 21 L HN 0.105 nan 8.230 nan 0.000 0.432 22 K N -0.115 120.251 120.400 -0.056 0.000 2.103 22 K HA -0.035 4.227 4.320 -0.096 0.000 0.204 22 K C 2.170 178.740 176.600 -0.050 0.000 1.052 22 K CA 1.300 57.572 56.287 -0.024 0.000 0.945 22 K CB -0.340 32.167 32.500 0.012 0.000 0.722 22 K HN 0.281 nan 8.250 nan 0.000 0.443 23 A N 1.302 124.093 122.820 -0.049 0.000 1.902 23 A HA -0.079 4.184 4.320 -0.096 0.000 0.217 23 A C 2.369 179.888 177.584 -0.109 0.000 1.181 23 A CA 2.041 54.049 52.037 -0.048 0.000 0.623 23 A CB -0.487 18.503 19.000 -0.015 0.000 0.818 23 A HN 0.286 nan 8.150 nan 0.000 0.443 24 A N -1.560 121.104 122.820 -0.261 0.000 1.872 24 A HA 0.204 4.467 4.320 -0.096 0.000 0.214 24 A C 1.589 179.114 177.584 -0.098 0.000 1.187 24 A CA 1.472 53.325 52.037 -0.308 0.000 0.614 24 A CB -0.386 18.100 19.000 -0.856 0.000 0.826 24 A HN 0.464 nan 8.150 nan 0.000 0.442 25 F N -1.223 118.654 119.950 -0.120 0.000 2.706 25 F HA 0.233 4.703 4.527 -0.095 0.000 0.308 25 F C 0.974 176.717 175.800 -0.094 0.000 1.095 25 F CA -0.792 57.130 58.000 -0.129 0.000 1.244 25 F CB -0.599 38.283 39.000 -0.197 0.000 1.063 25 F HN 0.298 nan 8.300 nan 0.000 0.582 26 D N 1.500 121.943 120.400 0.072 0.000 3.584 26 D HA -0.326 4.256 4.640 -0.096 0.000 0.153 26 D C 1.025 177.341 176.300 0.026 0.000 0.949 26 D CA 2.316 56.326 54.000 0.017 0.000 1.011 26 D CB -0.683 40.113 40.800 -0.006 0.000 0.476 26 D HN 0.308 nan 8.370 nan 0.000 0.460 27 D N -0.061 120.343 120.400 0.007 0.000 2.324 27 D HA -0.027 4.555 4.640 -0.096 0.000 0.235 27 D C 1.186 177.487 176.300 0.002 0.000 1.095 27 D CA 0.331 54.332 54.000 0.002 0.000 0.871 27 D CB -0.463 40.331 40.800 -0.010 0.000 0.906 27 D HN 0.383 nan 8.370 nan 0.000 0.522 28 R N -0.420 120.085 120.500 0.008 0.000 2.426 28 R HA 0.350 4.633 4.340 -0.096 0.000 0.263 28 R C -0.374 175.904 176.300 -0.037 0.000 0.961 28 R CA -0.264 55.816 56.100 -0.032 0.000 1.086 28 R CB 0.318 30.572 30.300 -0.077 0.000 1.186 28 R HN 0.107 nan 8.270 nan 0.000 0.537 29 I N -0.073 120.515 120.570 0.030 0.000 2.692 29 I HA 0.197 4.309 4.170 -0.096 0.000 0.293 29 I C -1.735 174.415 176.117 0.055 0.000 1.200 29 I CA -0.912 60.425 61.300 0.061 0.000 1.036 29 I CB 2.165 40.263 38.000 0.163 0.000 1.258 29 I HN -0.142 nan 8.210 nan 0.000 0.421 30 D N 6.133 126.561 120.400 0.047 0.000 2.198 30 D HA 0.600 5.182 4.640 -0.096 0.000 0.245 30 D C -0.906 175.409 176.300 0.026 0.000 1.079 30 D CA 0.091 54.109 54.000 0.029 0.000 0.854 30 D CB 2.045 42.855 40.800 0.016 0.000 1.148 30 D HN 0.185 nan 8.370 nan 0.000 0.456 31 V N 2.040 121.965 119.914 0.018 0.000 2.577 31 V HA 0.472 4.534 4.120 -0.096 0.000 0.303 31 V C -0.043 176.046 176.094 -0.009 0.000 1.042 31 V CA -0.631 61.670 62.300 0.001 0.000 0.872 31 V CB 2.151 33.985 31.823 0.018 0.000 0.998 31 V HN 0.498 nan 8.190 nan 0.000 0.423 32 T N 5.798 120.324 114.554 -0.047 0.000 2.824 32 T HA 0.646 4.938 4.350 -0.096 0.000 0.282 32 T C -0.723 173.923 174.700 -0.090 0.000 0.993 32 T CA -0.318 61.756 62.100 -0.043 0.000 0.967 32 T CB 1.675 70.513 68.868 -0.050 0.000 0.960 32 T HN 0.530 nan 8.240 nan 0.000 0.441 33 L N 4.033 125.205 121.223 -0.084 0.000 2.305 33 L HA 0.703 4.985 4.340 -0.096 0.000 0.284 33 L C -1.117 175.719 176.870 -0.057 0.000 1.013 33 L CA -0.738 53.990 54.840 -0.188 0.000 0.819 33 L CB 0.938 42.664 42.059 -0.556 0.000 1.227 33 L HN 0.407 nan 8.230 nan 0.000 0.417 34 V N 5.013 124.877 119.914 -0.082 0.000 2.370 34 V HA 0.463 4.525 4.120 -0.096 0.000 0.279 34 V C -0.241 175.833 176.094 -0.033 0.000 1.029 34 V CA -0.453 61.817 62.300 -0.050 0.000 0.870 34 V CB 1.275 33.070 31.823 -0.047 0.000 0.984 34 V HN 0.865 nan 8.190 nan 0.000 0.451 35 E N 2.813 123.024 120.200 0.020 0.000 2.393 35 E HA 0.647 4.939 4.350 -0.096 0.000 0.273 35 E C -0.546 176.082 176.600 0.046 0.000 0.918 35 E CA -0.713 55.714 56.400 0.045 0.000 0.773 35 E CB 2.034 31.802 29.700 0.114 0.000 1.275 35 E HN 0.404 nan 8.360 nan 0.000 0.451 45 G N 0.744 109.644 108.800 0.166 0.000 2.379 45 G HA2 0.403 4.306 3.960 -0.096 0.000 0.609 45 G HA3 0.403 4.306 3.960 -0.096 0.000 0.609 45 G C -1.363 173.543 174.900 0.010 0.000 1.484 45 G CA 0.171 45.350 45.100 0.131 0.000 0.921 45 G HN 0.826 nan 8.290 nan 0.000 0.658 46 E N -0.544 119.646 120.200 -0.018 0.000 2.408 46 E HA 0.767 5.059 4.350 -0.096 0.000 0.275 46 E C -0.041 176.430 176.600 -0.214 0.000 0.935 46 E CA -0.520 55.796 56.400 -0.140 0.000 0.775 46 E CB 2.281 31.940 29.700 -0.067 0.000 1.277 46 E HN 1.300 nan 8.360 nan 0.000 0.455 47 A N 0.820 123.563 122.820 -0.129 0.000 2.322 47 A HA 0.822 5.084 4.320 -0.096 0.000 0.327 47 A C -0.395 177.158 177.584 -0.051 0.000 1.134 47 A CA -0.275 51.752 52.037 -0.018 0.000 0.831 47 A CB 1.547 20.661 19.000 0.189 0.000 1.288 47 A HN 0.594 nan 8.150 nan 0.000 0.472 48 T N -2.236 112.356 114.554 0.063 0.000 2.864 48 T HA 0.761 5.054 4.350 -0.096 0.000 0.289 48 T C -0.628 174.321 174.700 0.415 0.000 1.082 48 T CA -0.598 61.603 62.100 0.170 0.000 1.009 48 T CB 0.625 69.644 68.868 0.251 0.000 1.234 48 T HN 0.275 nan 8.240 nan 0.000 0.526 49 F N 1.479 121.509 119.950 0.134 0.000 2.370 49 F HA 0.419 4.888 4.527 -0.098 0.000 0.319 49 F C 2.318 178.035 175.800 -0.138 0.000 1.129 49 F CA -1.123 56.933 58.000 0.094 0.000 1.109 49 F CB 1.017 40.028 39.000 0.018 0.000 1.262 49 F HN 0.885 nan 8.300 nan 0.000 0.534 50 S N -0.977 114.524 115.700 -0.331 0.000 2.419 50 S HA -0.165 4.247 4.470 -0.096 0.000 0.233 50 S C 1.549 176.124 174.600 -0.041 0.000 1.016 50 S CA 1.405 59.349 58.200 -0.426 0.000 0.974 50 S CB -1.140 61.723 63.200 -0.562 0.000 0.786 50 S HN 0.764 nan 8.310 nan 0.000 0.492 51 T N -1.067 113.590 114.554 0.171 0.000 3.148 51 T HA 0.199 4.491 4.350 -0.096 0.000 0.253 51 T C 1.486 176.412 174.700 0.376 0.000 1.134 51 T CA 0.499 62.807 62.100 0.346 0.000 1.051 51 T CB -0.365 68.744 68.868 0.402 0.000 0.959 51 T HN 0.205 nan 8.240 nan 0.000 0.525 52 V N 3.079 123.184 119.914 0.318 0.000 2.828 52 V HA -0.225 3.837 4.120 -0.096 0.000 0.260 52 V C 2.817 179.150 176.094 0.399 0.000 1.101 52 V CA 2.004 64.499 62.300 0.325 0.000 1.123 52 V CB -0.786 31.276 31.823 0.398 0.000 0.704 52 V HN 0.709 nan 8.190 nan 0.000 0.493 53 R N -1.144 119.531 120.500 0.292 0.000 2.127 53 R HA -0.206 4.077 4.340 -0.096 0.000 0.238 53 R C 2.020 178.383 176.300 0.104 0.000 1.134 53 R CA 1.994 58.205 56.100 0.185 0.000 0.975 53 R CB -0.986 29.153 30.300 -0.267 0.000 0.865 53 R HN 0.605 nan 8.270 nan 0.000 0.447 54 H N -0.089 119.079 119.070 0.164 0.000 2.352 54 H HA -0.147 4.351 4.556 -0.096 0.000 0.299 54 H C 1.876 177.346 175.328 0.236 0.000 1.097 54 H CA 1.851 58.006 56.048 0.177 0.000 1.311 54 H CB -0.337 29.527 29.762 0.171 0.000 1.377 54 H HN 0.275 nan 8.280 nan 0.000 0.504 55 F N 1.064 121.103 119.950 0.149 0.000 2.084 55 F HA -0.190 4.280 4.527 -0.095 0.000 0.296 55 F C 2.128 177.912 175.800 -0.027 0.000 1.111 55 F CA 1.115 59.114 58.000 -0.001 0.000 1.224 55 F CB -0.565 38.265 39.000 -0.284 0.000 0.991 55 F HN -0.122 nan 8.300 nan 0.000 0.471 56 F N 1.132 121.198 119.950 0.194 0.000 2.134 56 F HA -0.181 4.287 4.527 -0.097 0.000 0.299 56 F C 2.316 178.105 175.800 -0.017 0.000 1.097 56 F CA 1.674 59.674 58.000 0.000 0.000 1.264 56 F CB -1.129 37.931 39.000 0.100 0.000 1.001 56 F HN -0.014 nan 8.300 nan 0.000 0.479 57 D N -1.253 119.279 120.400 0.220 0.000 2.144 57 D HA -0.230 4.352 4.640 -0.096 0.000 0.199 57 D C 2.054 178.395 176.300 0.069 0.000 0.984 57 D CA 1.111 55.182 54.000 0.118 0.000 0.834 57 D CB -0.746 40.095 40.800 0.068 0.000 0.955 57 D HN 0.332 nan 8.370 nan 0.000 0.465 58 Y N 0.547 120.814 120.300 -0.054 0.000 2.181 58 Y HA -0.200 4.292 4.550 -0.096 0.000 0.288 58 Y C 1.920 177.691 175.900 -0.216 0.000 1.146 58 Y CA 0.984 59.008 58.100 -0.127 0.000 1.164 58 Y CB -0.027 38.364 38.460 -0.114 0.000 0.982 58 Y HN -0.097 nan 8.280 nan 0.000 0.515 59 L N -0.041 121.140 121.223 -0.069 0.000 2.291 59 L HA 0.079 4.361 4.340 -0.096 0.000 0.214 59 L C 1.833 178.701 176.870 -0.003 0.000 1.120 59 L CA 1.642 56.386 54.840 -0.160 0.000 0.799 59 L CB -0.993 40.748 42.059 -0.530 0.000 0.925 59 L HN 0.459 nan 8.230 nan 0.000 0.446 60 G N -0.815 107.993 108.800 0.014 0.000 2.142 60 G HA2 -0.228 3.674 3.960 -0.096 0.000 0.225 60 G HA3 -0.228 3.674 3.960 -0.096 0.000 0.225 60 G C 0.101 175.073 174.900 0.119 0.000 1.015 60 G CA 0.012 45.149 45.100 0.062 0.000 0.716 60 G HN 0.231 nan 8.290 nan 0.000 0.508 61 L N 0.485 121.794 121.223 0.143 0.000 2.322 61 L HA 0.574 4.857 4.340 -0.096 0.000 0.279 61 L C 0.055 177.072 176.870 0.244 0.000 1.036 61 L CA -0.918 54.052 54.840 0.216 0.000 0.807 61 L CB 1.539 43.720 42.059 0.204 0.000 1.226 61 L HN 0.204 nan 8.230 nan 0.000 0.433 62 D N 1.571 122.109 120.400 0.229 0.000 2.185 62 D HA 0.062 4.644 4.640 -0.096 0.000 0.247 62 D C 0.782 177.119 176.300 0.062 0.000 1.027 62 D CA -0.340 53.754 54.000 0.158 0.000 0.861 62 D CB 2.016 42.871 40.800 0.092 0.000 1.202 62 D HN 0.782 nan 8.370 nan 0.000 0.453 63 E N 3.383 123.537 120.200 -0.076 0.000 2.160 63 E HA -0.231 4.061 4.350 -0.096 0.000 0.195 63 E C 1.266 177.429 176.600 -0.728 0.000 0.991 63 E CA 0.878 56.865 56.400 -0.690 0.000 0.810 63 E CB -0.031 29.469 29.700 -0.333 0.000 0.742 63 E HN 0.413 nan 8.360 nan 0.000 0.466 64 R N 0.789 121.110 120.500 -0.299 0.000 2.152 64 R HA -0.083 4.200 4.340 -0.096 0.000 0.232 64 R C 2.116 178.267 176.300 -0.249 0.000 1.117 64 R CA 1.540 57.496 56.100 -0.239 0.000 0.981 64 R CB -0.120 30.119 30.300 -0.101 0.000 0.870 64 R HN 0.405 nan 8.270 nan 0.000 0.451 65 E N -0.027 120.058 120.200 -0.192 0.000 2.015 65 E HA -0.173 4.119 4.350 -0.096 0.000 0.191 65 E C 1.891 178.371 176.600 -0.201 0.000 0.991 65 E CA 1.450 57.801 56.400 -0.082 0.000 0.802 65 E CB -0.093 29.681 29.700 0.123 0.000 0.759 65 E HN 0.562 nan 8.360 nan 0.000 0.447 66 W N 0.266 121.286 121.300 -0.466 0.000 2.683 66 W HA 0.189 4.791 4.660 -0.098 0.000 0.267 66 W C 1.659 177.847 176.519 -0.552 0.000 1.243 66 W CA -0.264 56.617 57.345 -0.772 0.000 1.380 66 W CB -0.619 28.054 29.460 -1.312 0.000 1.063 66 W HN 0.030 nan 8.180 nan 0.000 0.599 67 L N 3.032 123.556 121.223 -1.164 0.000 2.046 67 L HA -0.035 4.248 4.340 -0.096 0.000 0.208 67 L C -0.556 176.032 176.870 -0.469 0.000 1.077 67 L CA 2.221 56.448 54.840 -1.020 0.000 0.747 67 L CB -1.852 39.465 42.059 -1.236 0.000 0.896 67 L HN -0.287 nan 8.230 nan 0.000 0.432 68 P HA -0.187 nan 4.420 nan 0.000 0.216 68 P C 1.479 178.654 177.300 -0.207 0.000 1.153 68 P CA 1.417 64.310 63.100 -0.345 0.000 0.848 68 P CB -0.157 31.336 31.700 -0.344 0.000 0.787 69 R N -0.346 120.058 120.500 -0.161 0.000 2.152 69 R HA -0.089 4.193 4.340 -0.096 0.000 0.232 69 R C 0.541 176.826 176.300 -0.025 0.000 1.117 69 R CA 1.412 57.472 56.100 -0.066 0.000 0.981 69 R CB -0.673 29.609 30.300 -0.029 0.000 0.870 69 R HN 0.151 nan 8.270 nan 0.000 0.451 70 C N 0.989 120.268 119.300 -0.035 0.000 2.435 70 C HA 0.486 4.889 4.460 -0.096 0.000 0.326 70 C C 0.737 175.788 174.990 0.102 0.000 1.328 70 C CA -0.176 58.869 59.018 0.046 0.000 1.741 70 C CB -0.812 26.968 27.740 0.066 0.000 1.998 70 C HN 0.610 nan 8.230 nan 0.000 0.585 71 A N 0.433 123.290 122.820 0.062 0.000 2.783 71 A HA -0.045 4.217 4.320 -0.096 0.000 0.292 71 A C 0.826 178.510 177.584 0.166 0.000 1.495 71 A CA 0.761 52.877 52.037 0.132 0.000 0.787 71 A CB -1.720 17.382 19.000 0.169 0.000 1.017 71 A HN 0.879 nan 8.150 nan 0.000 0.516 72 G N -1.449 107.387 108.800 0.060 0.000 2.539 72 G HA2 0.682 4.585 3.960 -0.096 0.000 0.258 72 G HA3 0.682 4.585 3.960 -0.096 0.000 0.258 72 G C 0.369 175.311 174.900 0.070 0.000 1.202 72 G CA 0.254 45.397 45.100 0.071 0.000 0.851 72 G HN 1.675 nan 8.290 nan 0.000 0.556 73 G N -1.455 107.410 108.800 0.108 0.000 2.725 73 G HA2 0.567 4.469 3.960 -0.096 0.000 0.288 73 G HA3 0.567 4.469 3.960 -0.096 0.000 0.288 73 G C -1.855 173.020 174.900 -0.041 0.000 1.399 73 G CA -0.816 44.362 45.100 0.131 0.000 0.859 73 G HN 0.468 nan 8.290 nan 0.000 0.479 74 Y N -0.013 120.375 120.300 0.147 0.000 2.361 74 Y HA 0.566 5.058 4.550 -0.097 0.000 0.332 74 Y C 0.591 176.444 175.900 -0.078 0.000 1.101 74 Y CA -0.481 57.601 58.100 -0.031 0.000 1.137 74 Y CB 2.251 40.605 38.460 -0.178 0.000 1.207 74 Y HN 0.341 nan 8.280 nan 0.000 0.463 75 K N 3.972 124.358 120.400 -0.023 0.000 2.394 75 K HA 0.403 4.665 4.320 -0.096 0.000 0.260 75 K C -0.460 176.342 176.600 0.338 0.000 0.967 75 K CA -0.315 55.983 56.287 0.018 0.000 0.855 75 K CB 0.670 33.031 32.500 -0.231 0.000 1.101 75 K HN 0.856 nan 8.250 nan 0.000 0.433 76 L N 2.593 124.017 121.223 0.336 0.000 2.529 76 L HA 0.307 4.590 4.340 -0.096 0.000 0.223 76 L C 0.994 178.001 176.870 0.227 0.000 1.113 76 L CA 0.254 55.294 54.840 0.334 0.000 0.861 76 L CB 0.336 42.478 42.059 0.137 0.000 1.012 76 L HN 0.956 nan 8.230 nan 0.000 0.461 77 G N 0.004 108.874 108.800 0.116 0.000 2.368 77 G HA2 0.252 4.154 3.960 -0.096 0.000 0.269 77 G HA3 0.252 4.154 3.960 -0.096 0.000 0.269 77 G C -1.702 173.197 174.900 -0.001 0.000 1.291 77 G CA -0.795 44.165 45.100 -0.233 0.000 0.903 77 G HN -0.110 nan 8.290 nan 0.000 0.483 78 I N 0.641 121.177 120.570 -0.057 0.000 2.465 78 I HA 0.491 4.604 4.170 -0.096 0.000 0.291 78 I C 0.335 176.322 176.117 -0.217 0.000 1.014 78 I CA -0.738 60.493 61.300 -0.114 0.000 1.093 78 I CB 2.167 39.983 38.000 -0.306 0.000 1.267 78 I HN 0.452 nan 8.210 nan 0.000 0.431 79 R N 5.839 126.144 120.500 -0.325 0.000 2.210 79 R HA 0.376 4.658 4.340 -0.096 0.000 0.338 79 R C -1.494 174.423 176.300 -0.639 0.000 1.062 79 R CA -0.376 55.344 56.100 -0.633 0.000 0.902 79 R CB 0.393 30.301 30.300 -0.653 0.000 1.050 79 R HN 0.368 nan 8.270 nan 0.000 0.461 80 F N 3.610 123.156 119.950 -0.673 0.000 2.390 80 F HA 0.244 4.717 4.527 -0.091 0.000 0.361 80 F C 0.293 175.950 175.800 -0.238 0.000 1.124 80 F CA -0.081 57.562 58.000 -0.595 0.000 1.149 80 F CB 1.203 39.442 39.000 -1.268 0.000 1.160 80 F HN 0.376 nan 8.300 nan 0.000 0.501 81 E N 2.812 123.182 120.200 0.284 0.000 2.222 81 E HA 0.300 4.592 4.350 -0.096 0.000 0.267 81 E C -0.333 176.446 176.600 0.298 0.000 0.884 81 E CA -0.848 55.704 56.400 0.253 0.000 0.764 81 E CB 1.342 31.089 29.700 0.078 0.000 1.169 81 E HN 0.505 nan 8.360 nan 0.000 0.413 82 N N 0.897 119.720 118.700 0.205 0.000 2.782 82 N HA -0.181 4.502 4.740 -0.096 0.000 0.251 82 N C -0.176 175.266 175.510 -0.112 0.000 1.101 82 N CA 0.857 53.923 53.050 0.027 0.000 0.764 82 N CB -1.199 37.248 38.487 -0.067 0.000 1.122 82 N HN 0.675 nan 8.380 nan 0.000 0.561 83 W N 0.495 121.752 121.300 -0.072 0.000 2.518 83 W HA 0.166 4.772 4.660 -0.089 0.000 0.273 83 W C 1.938 178.316 176.519 -0.236 0.000 1.247 83 W CA 0.987 58.221 57.345 -0.186 0.000 1.288 83 W CB 0.142 29.573 29.460 -0.049 0.000 1.107 83 W HN 0.031 nan 8.180 nan 0.000 0.586 84 S N -1.553 114.200 115.700 0.088 0.000 3.465 84 S HA 0.107 4.519 4.470 -0.096 0.000 0.179 84 S C -0.124 174.471 174.600 -0.009 0.000 0.922 84 S CA -0.564 57.647 58.200 0.019 0.000 1.168 84 S CB -0.253 62.982 63.200 0.058 0.000 1.229 84 S HN -0.274 nan 8.310 nan 0.000 0.867 85 E N 3.120 123.335 120.200 0.024 0.000 2.324 85 E HA 0.242 4.535 4.350 -0.096 0.000 0.271 85 E C -2.614 173.997 176.600 0.018 0.000 1.028 85 E CA -2.020 54.389 56.400 0.014 0.000 0.890 85 E CB 0.169 29.883 29.700 0.023 0.000 1.004 85 E HN 0.116 nan 8.360 nan 0.000 0.431 86 P HA -0.049 nan 4.420 nan 0.000 0.261 86 P C 0.742 178.062 177.300 0.032 0.000 1.183 86 P CA 0.988 64.087 63.100 -0.002 0.000 0.761 86 P CB 0.371 32.064 31.700 -0.011 0.000 0.785 87 G N 1.952 110.784 108.800 0.052 0.000 2.179 87 G HA2 -0.253 3.650 3.960 -0.096 0.000 0.260 87 G HA3 -0.253 3.650 3.960 -0.096 0.000 0.260 87 G C 0.077 175.077 174.900 0.167 0.000 0.977 87 G CA -0.201 44.957 45.100 0.096 0.000 0.641 87 G HN 0.542 nan 8.290 nan 0.000 0.533 88 E N -0.396 119.887 120.200 0.139 0.000 2.283 88 E HA 0.645 4.938 4.350 -0.096 0.000 0.271 88 E C -0.076 176.665 176.600 0.235 0.000 1.031 88 E CA -0.506 55.966 56.400 0.120 0.000 0.868 88 E CB 0.809 30.549 29.700 0.066 0.000 1.094 88 E HN 0.651 nan 8.360 nan 0.000 0.401 89 Y N -0.357 120.006 120.300 0.106 0.000 2.670 89 Y HA 0.684 5.182 4.550 -0.087 0.000 0.334 89 Y C -1.231 174.747 175.900 0.130 0.000 1.185 89 Y CA -1.507 56.615 58.100 0.037 0.000 1.053 89 Y CB 0.963 39.337 38.460 -0.145 0.000 1.298 89 Y HN 0.497 nan 8.280 nan 0.000 0.459 90 F N -1.549 118.428 119.950 0.046 0.000 2.779 90 F HA 0.784 5.258 4.527 -0.090 0.000 0.316 90 F C -2.388 173.358 175.800 -0.091 0.000 1.164 90 F CA -2.020 55.993 58.000 0.021 0.000 0.924 90 F CB 1.210 40.258 39.000 0.080 0.000 1.348 90 F HN 0.463 nan 8.300 nan 0.000 0.467 91 Y N 0.238 120.709 120.300 0.285 0.000 2.429 91 Y HA 0.389 4.883 4.550 -0.094 0.000 0.342 91 Y C -0.425 175.658 175.900 0.305 0.000 1.004 91 Y CA -0.775 57.384 58.100 0.099 0.000 1.075 91 Y CB 1.393 39.822 38.460 -0.052 0.000 1.214 91 Y HN 0.779 nan 8.280 nan 0.000 0.455 92 H N 5.281 124.500 119.070 0.248 0.000 2.641 92 H HA 0.361 4.859 4.556 -0.098 0.000 0.295 92 H C -2.811 172.487 175.328 -0.051 0.000 1.070 92 H CA -2.460 53.693 56.048 0.175 0.000 1.257 92 H CB 1.201 31.116 29.762 0.253 0.000 1.393 92 H HN 0.414 nan 8.280 nan 0.000 0.464 93 P HA 0.150 nan 4.420 nan 0.000 0.285 93 P C -0.846 176.218 177.300 -0.393 0.000 1.285 93 P CA -0.840 62.044 63.100 -0.359 0.000 0.854 93 P CB 1.514 32.931 31.700 -0.470 0.000 1.180 94 F N 0.429 120.331 119.950 -0.080 0.000 2.626 94 F HA 0.386 4.855 4.527 -0.096 0.000 0.353 94 F C 0.984 176.736 175.800 -0.080 0.000 1.230 94 F CA 0.372 58.359 58.000 -0.021 0.000 1.298 94 F CB -0.295 38.704 39.000 -0.002 0.000 1.670 94 F HN 0.261 nan 8.300 nan 0.000 0.633 95 E N 1.352 121.482 120.200 -0.117 0.000 2.397 95 E HA 0.289 4.581 4.350 -0.096 0.000 0.293 95 E C -0.792 175.397 176.600 -0.685 0.000 0.930 95 E CA -0.752 55.494 56.400 -0.256 0.000 0.793 95 E CB 1.342 30.946 29.700 -0.160 0.000 1.259 95 E HN 0.342 nan 8.360 nan 0.000 0.406 96 R N 2.850 123.075 120.500 -0.458 0.000 2.531 96 R HA 0.392 4.674 4.340 -0.096 0.000 0.273 96 R C 0.013 176.262 176.300 -0.084 0.000 1.070 96 R CA -0.519 55.303 56.100 -0.463 0.000 1.112 96 R CB 0.721 30.952 30.300 -0.114 0.000 1.049 96 R HN 0.432 nan 8.270 nan 0.000 0.508 97 L N 2.837 124.082 121.223 0.038 0.000 2.426 97 L HA 0.188 4.470 4.340 -0.096 0.000 0.271 97 L C 0.909 177.810 176.870 0.051 0.000 1.169 97 L CA 0.092 54.983 54.840 0.084 0.000 0.836 97 L CB 0.344 42.492 42.059 0.149 0.000 1.112 97 L HN 0.380 nan 8.230 nan 0.000 0.465 98 R N 1.514 122.022 120.500 0.014 0.000 2.679 98 R HA 0.450 4.732 4.340 -0.096 0.000 0.269 98 R C -0.961 175.369 176.300 0.051 0.000 1.076 98 R CA -0.542 55.563 56.100 0.009 0.000 1.160 98 R CB 0.923 31.199 30.300 -0.040 0.000 1.054 98 R HN 0.317 nan 8.270 nan 0.000 0.507 99 V N 2.372 122.321 119.914 0.059 0.000 2.444 99 V HA 0.311 4.373 4.120 -0.096 0.000 0.294 99 V C -0.521 175.641 176.094 0.113 0.000 1.022 99 V CA -0.744 61.626 62.300 0.115 0.000 0.850 99 V CB 1.877 33.752 31.823 0.087 0.000 0.992 99 V HN 0.407 nan 8.190 nan 0.000 0.426 100 V N 3.565 123.611 119.914 0.220 0.000 2.487 100 V HA 0.469 4.531 4.120 -0.096 0.000 0.298 100 V C 0.005 176.341 176.094 0.403 0.000 1.028 100 V CA -0.506 61.897 62.300 0.171 0.000 0.860 100 V CB 1.547 33.309 31.823 -0.100 0.000 0.991 100 V HN 0.987 nan 8.190 nan 0.000 0.427 101 D N 4.264 124.819 120.400 0.258 0.000 2.751 101 D HA -0.192 4.390 4.640 -0.096 0.000 0.233 101 D C 1.292 177.794 176.300 0.336 0.000 1.149 101 D CA 1.871 56.053 54.000 0.303 0.000 0.682 101 D CB -1.134 39.892 40.800 0.376 0.000 1.068 101 D HN 1.423 nan 8.370 nan 0.000 0.429 102 G N -1.700 107.203 108.800 0.172 0.000 2.176 102 G HA2 -0.309 3.593 3.960 -0.096 0.000 0.253 102 G HA3 -0.309 3.593 3.960 -0.096 0.000 0.253 102 G C 0.119 174.838 174.900 -0.303 0.000 0.979 102 G CA 0.177 45.231 45.100 -0.077 0.000 0.641 102 G HN 0.406 nan 8.290 nan 0.000 0.530 103 F N 1.401 121.431 119.950 0.133 0.000 2.529 103 F HA 0.546 5.015 4.527 -0.097 0.000 0.320 103 F C 0.415 176.310 175.800 0.159 0.000 1.118 103 F CA -0.912 57.099 58.000 0.018 0.000 0.915 103 F CB 1.498 40.291 39.000 -0.344 0.000 1.161 103 F HN 0.243 nan 8.300 nan 0.000 0.445 104 N N 1.929 120.781 118.700 0.254 0.000 2.354 104 N HA 0.079 4.761 4.740 -0.096 0.000 0.246 104 N C 0.719 176.437 175.510 0.345 0.000 1.285 104 N CA -0.385 52.816 53.050 0.251 0.000 0.925 104 N CB 0.545 39.141 38.487 0.181 0.000 1.174 104 N HN 0.475 nan 8.380 nan 0.000 0.478 105 M N -0.319 119.441 119.600 0.266 0.000 2.374 105 M HA -0.011 4.412 4.480 -0.096 0.000 0.264 105 M C 1.792 178.357 176.300 0.442 0.000 1.067 105 M CA 1.057 56.514 55.300 0.262 0.000 1.103 105 M CB -1.801 30.785 32.600 -0.023 0.000 1.402 105 M HN 0.834 nan 8.290 nan 0.000 0.444 106 A N 0.164 123.219 122.820 0.391 0.000 1.898 106 A HA -0.130 4.132 4.320 -0.096 0.000 0.216 106 A C 2.139 179.936 177.584 0.356 0.000 1.181 106 A CA 1.290 53.578 52.037 0.418 0.000 0.620 106 A CB -0.390 18.711 19.000 0.169 0.000 0.819 106 A HN 0.397 nan 8.150 nan 0.000 0.442 107 E N -0.777 119.565 120.200 0.236 0.000 2.077 107 E HA -0.230 4.062 4.350 -0.096 0.000 0.193 107 E C 1.840 178.491 176.600 0.085 0.000 0.989 107 E CA 1.238 57.694 56.400 0.092 0.000 0.800 107 E CB -0.397 29.302 29.700 -0.001 0.000 0.746 107 E HN 0.880 nan 8.360 nan 0.000 0.452 108 W N 0.049 121.490 121.300 0.235 0.000 2.388 108 W HA -0.158 4.444 4.660 -0.097 0.000 0.294 108 W C 2.264 179.011 176.519 0.381 0.000 1.212 108 W CA 0.303 57.793 57.345 0.242 0.000 1.271 108 W CB -0.680 28.905 29.460 0.208 0.000 1.126 108 W HN 0.213 nan 8.180 nan 0.000 0.535 109 W N 0.791 122.446 121.300 0.591 0.000 2.335 109 W HA -0.245 4.358 4.660 -0.095 0.000 0.311 109 W C 2.005 178.620 176.519 0.161 0.000 1.213 109 W CA 2.070 59.642 57.345 0.378 0.000 1.274 109 W CB -0.712 28.989 29.460 0.401 0.000 1.148 109 W HN -0.216 nan 8.180 nan 0.000 0.498 110 L N 0.234 121.596 121.223 0.232 0.000 2.079 110 L HA -0.235 4.047 4.340 -0.096 0.000 0.210 110 L C 2.621 179.408 176.870 -0.138 0.000 1.081 110 L CA 1.586 56.398 54.840 -0.046 0.000 0.752 110 L CB -1.264 40.829 42.059 0.056 0.000 0.896 110 L HN 0.152 nan 8.230 nan 0.000 0.433 111 A N -0.570 122.230 122.820 -0.033 0.000 1.878 111 A HA 0.003 4.266 4.320 -0.096 0.000 0.213 111 A C 1.783 179.356 177.584 -0.019 0.000 1.192 111 A CA 1.405 53.420 52.037 -0.036 0.000 0.619 111 A CB -0.116 18.866 19.000 -0.029 0.000 0.837 111 A HN 0.292 nan 8.150 nan 0.000 0.446 112 V N -3.591 116.356 119.914 0.055 0.000 3.276 112 V HA 0.547 4.609 4.120 -0.096 0.000 0.319 112 V C 0.778 176.794 176.094 -0.130 0.000 1.476 112 V CA 0.150 62.461 62.300 0.018 0.000 1.097 112 V CB -0.385 31.533 31.823 0.159 0.000 0.988 112 V HN 0.429 nan 8.190 nan 0.000 0.473 119 F N 2.801 122.235 119.950 -0.860 0.000 2.091 119 F HA -0.063 4.405 4.527 -0.098 0.000 0.299 119 F C 2.569 177.950 175.800 -0.698 0.000 1.103 119 F CA 2.862 59.931 58.000 -1.552 0.000 1.228 119 F CB -0.779 37.305 39.000 -1.527 0.000 0.984 119 F HN 0.869 nan 8.300 nan 0.000 0.477 120 S N -0.752 114.520 115.700 -0.713 0.000 2.406 120 S HA -0.201 4.211 4.470 -0.096 0.000 0.228 120 S C 2.070 176.453 174.600 -0.362 0.000 1.020 120 S CA 1.104 59.024 58.200 -0.467 0.000 0.965 120 S CB -0.842 62.515 63.200 0.261 0.000 0.798 120 S HN 0.716 nan 8.310 nan 0.000 0.488 121 E N 1.074 120.883 120.200 -0.652 0.000 2.107 121 E HA -0.011 4.281 4.350 -0.096 0.000 0.191 121 E C 2.130 178.530 176.600 -0.332 0.000 0.982 121 E CA 0.874 56.806 56.400 -0.780 0.000 0.809 121 E CB -0.383 28.840 29.700 -0.796 0.000 0.756 121 E HN 0.711 nan 8.360 nan 0.000 0.459 122 A N -0.095 122.543 122.820 -0.302 0.000 1.968 122 A HA -0.117 4.145 4.320 -0.096 0.000 0.217 122 A C 2.181 179.759 177.584 -0.010 0.000 1.169 122 A CA 1.125 53.099 52.037 -0.104 0.000 0.638 122 A CB -0.282 18.696 19.000 -0.036 0.000 0.812 122 A HN 0.468 nan 8.150 nan 0.000 0.446 123 C N -2.565 116.529 119.300 -0.343 0.000 2.865 123 C HA 0.378 4.780 4.460 -0.096 0.000 0.280 123 C C -0.276 174.392 174.990 -0.537 0.000 1.255 123 C CA -0.457 58.274 59.018 -0.477 0.000 1.705 123 C CB -1.096 26.082 27.740 -0.937 0.000 2.080 123 C HN 0.498 nan 8.230 nan 0.000 0.591 124 Y N -0.003 120.197 120.300 -0.166 0.000 2.346 124 Y HA 0.391 4.883 4.550 -0.096 0.000 0.332 124 Y C 0.815 176.686 175.900 -0.047 0.000 0.985 124 Y CA -1.253 56.787 58.100 -0.100 0.000 1.112 124 Y CB 0.555 38.956 38.460 -0.099 0.000 1.170 124 Y HN -0.064 nan 8.280 nan 0.000 0.447 125 L N 0.746 122.052 121.223 0.139 0.000 2.081 125 L HA -0.249 4.034 4.340 -0.096 0.000 0.212 125 L C 1.824 178.695 176.870 0.002 0.000 1.080 125 L CA 1.951 56.828 54.840 0.061 0.000 0.754 125 L CB -0.543 41.564 42.059 0.080 0.000 0.893 125 L HN 0.721 nan 8.230 nan 0.000 0.433 126 T N -2.131 112.429 114.554 0.009 0.000 2.759 126 T HA -0.281 4.011 4.350 -0.096 0.000 0.269 126 T C 1.731 176.284 174.700 -0.246 0.000 1.042 126 T CA 1.678 63.706 62.100 -0.120 0.000 1.140 126 T CB -0.372 68.421 68.868 -0.124 0.000 0.864 126 T HN 0.480 nan 8.240 nan 0.000 0.455 127 H N 1.074 120.015 119.070 -0.215 0.000 2.289 127 H HA -0.054 4.445 4.556 -0.094 0.000 0.296 127 H C 2.479 177.640 175.328 -0.278 0.000 1.091 127 H CA 1.756 57.630 56.048 -0.290 0.000 1.274 127 H CB 0.104 29.872 29.762 0.010 0.000 1.364 127 H HN 0.199 nan 8.280 nan 0.000 0.490 128 R N -0.675 119.855 120.500 0.051 0.000 2.119 128 R HA -0.039 4.243 4.340 -0.096 0.000 0.222 128 R C 2.168 178.417 176.300 -0.086 0.000 1.088 128 R CA 0.790 56.909 56.100 0.032 0.000 0.984 128 R CB 0.024 30.359 30.300 0.058 0.000 0.884 128 R HN 0.230 nan 8.270 nan 0.000 0.447 129 L N 0.302 121.426 121.223 -0.164 0.000 2.042 129 L HA -0.245 4.038 4.340 -0.096 0.000 0.210 129 L C 2.401 179.167 176.870 -0.173 0.000 1.076 129 L CA 1.631 56.345 54.840 -0.210 0.000 0.749 129 L CB -0.839 41.027 42.059 -0.322 0.000 0.893 129 L HN 0.226 nan 8.230 nan 0.000 0.432 130 C N -0.921 118.206 119.300 -0.289 0.000 2.453 130 C HA -0.103 4.300 4.460 -0.096 0.000 0.277 130 C C 2.700 177.668 174.990 -0.038 0.000 1.262 130 C CA 0.261 59.137 59.018 -0.238 0.000 1.718 130 C CB -0.676 26.475 27.740 -0.982 0.000 2.031 130 C HN 0.521 nan 8.230 nan 0.000 0.480 131 E N 0.986 121.113 120.200 -0.121 0.000 2.118 131 E HA -0.151 4.141 4.350 -0.096 0.000 0.195 131 E C 2.134 178.773 176.600 0.065 0.000 0.992 131 E CA 1.596 58.025 56.400 0.049 0.000 0.804 131 E CB -0.460 29.297 29.700 0.095 0.000 0.741 131 E HN 0.681 nan 8.360 nan 0.000 0.458 132 A N 0.536 123.369 122.820 0.021 0.000 2.251 132 A HA 0.005 4.268 4.320 -0.096 0.000 0.209 132 A C 0.437 178.033 177.584 0.020 0.000 1.187 132 A CA -0.001 52.047 52.037 0.017 0.000 0.823 132 A CB -0.248 18.745 19.000 -0.011 0.000 0.846 132 A HN 0.173 nan 8.150 nan 0.000 0.486 133 K N 0.204 120.631 120.400 0.046 0.000 3.156 133 K HA -0.160 4.103 4.320 -0.096 0.000 0.266 133 K C -0.586 176.021 176.600 0.012 0.000 0.966 133 K CA 0.419 56.736 56.287 0.051 0.000 0.719 133 K CB -0.984 31.544 32.500 0.046 0.000 1.333 133 K HN 0.411 nan 8.250 nan 0.000 0.468 134 R N 0.187 120.664 120.500 -0.038 0.000 2.531 134 R HA 0.409 4.692 4.340 -0.096 0.000 0.273 134 R C 0.651 176.880 176.300 -0.118 0.000 1.070 134 R CA 0.055 56.102 56.100 -0.089 0.000 1.112 134 R CB 0.643 30.844 30.300 -0.166 0.000 1.049 134 R HN 0.369 nan 8.270 nan 0.000 0.508 135 A N 3.777 126.511 122.820 -0.144 0.000 2.351 135 A HA 0.351 4.614 4.320 -0.096 0.000 0.257 135 A C -1.499 175.845 177.584 -0.399 0.000 1.087 135 A CA -1.134 50.734 52.037 -0.281 0.000 0.798 135 A CB 0.151 18.986 19.000 -0.275 0.000 1.033 135 A HN 0.499 nan 8.150 nan 0.000 0.488 136 P HA 0.074 nan 4.420 nan 0.000 0.249 136 P C -0.056 177.100 177.300 -0.239 0.000 1.229 136 P CA 0.607 63.538 63.100 -0.282 0.000 0.788 136 P CB 0.289 31.838 31.700 -0.252 0.000 1.072 137 R N -0.446 119.693 120.500 -0.601 0.000 2.750 137 R HA 0.501 4.783 4.340 -0.096 0.000 0.281 137 R C 0.416 176.475 176.300 -0.401 0.000 0.972 137 R CA -1.080 54.682 56.100 -0.563 0.000 0.912 137 R CB 1.526 31.239 30.300 -0.979 0.000 1.187 137 R HN -0.081 nan 8.270 nan 0.000 0.464 138 M N 2.414 121.926 119.600 -0.147 0.000 2.198 138 M HA 0.079 4.501 4.480 -0.096 0.000 0.315 138 M C 1.600 177.977 176.300 0.128 0.000 1.134 138 M CA 0.243 55.537 55.300 -0.010 0.000 1.171 138 M CB 0.303 32.912 32.600 0.015 0.000 1.413 138 M HN 0.634 nan 8.290 nan 0.000 0.467 139 L N 0.974 122.291 121.223 0.158 0.000 2.191 139 L HA -0.228 4.054 4.340 -0.096 0.000 0.212 139 L C 1.682 178.638 176.870 0.143 0.000 1.103 139 L CA 1.080 56.032 54.840 0.188 0.000 0.769 139 L CB -0.696 41.414 42.059 0.085 0.000 0.908 139 L HN 0.729 nan 8.230 nan 0.000 0.438 140 D N -0.405 120.055 120.400 0.101 0.000 2.378 140 D HA -0.034 4.549 4.640 -0.096 0.000 0.227 140 D C 1.499 177.859 176.300 0.100 0.000 1.012 140 D CA 0.922 54.968 54.000 0.076 0.000 0.905 140 D CB 0.089 40.918 40.800 0.048 0.000 0.895 140 D HN 0.303 nan 8.370 nan 0.000 0.532 141 G N -0.174 108.724 108.800 0.165 0.000 2.195 141 G HA2 -0.258 3.644 3.960 -0.096 0.000 0.224 141 G HA3 -0.258 3.644 3.960 -0.096 0.000 0.224 141 G C 0.342 175.283 174.900 0.069 0.000 0.990 141 G CA 0.250 45.453 45.100 0.173 0.000 0.639 141 G HN 0.844 nan 8.290 nan 0.000 0.514 142 S N 0.579 116.301 115.700 0.037 0.000 2.565 142 S HA 0.667 5.079 4.470 -0.096 0.000 0.276 142 S C 0.304 174.889 174.600 -0.025 0.000 1.326 142 S CA -0.431 57.776 58.200 0.013 0.000 1.045 142 S CB 2.251 65.459 63.200 0.014 0.000 0.918 142 S HN 1.253 nan 8.310 nan 0.000 0.505 143 L N 3.762 124.970 121.223 -0.026 0.000 2.426 143 L HA 0.312 4.594 4.340 -0.096 0.000 0.271 143 L C 0.997 177.817 176.870 -0.083 0.000 1.169 143 L CA -0.458 54.340 54.840 -0.071 0.000 0.836 143 L CB 0.004 41.998 42.059 -0.107 0.000 1.112 143 L HN 0.825 nan 8.230 nan 0.000 0.465 144 F N 3.079 122.949 119.950 -0.133 0.000 2.293 144 F HA 0.233 4.703 4.527 -0.095 0.000 0.300 144 F C 0.962 176.710 175.800 -0.087 0.000 1.086 144 F CA 0.379 58.313 58.000 -0.110 0.000 1.375 144 F CB -0.800 38.125 39.000 -0.125 0.000 1.045 144 F HN 0.482 nan 8.300 nan 0.000 0.516 153 G N 1.782 110.579 108.800 -0.006 0.000 2.583 153 G HA2 -0.342 3.560 3.960 -0.096 0.000 0.292 153 G HA3 -0.342 3.560 3.960 -0.096 0.000 0.292 153 G C -0.013 174.838 174.900 -0.083 0.000 1.203 153 G CA 0.382 45.453 45.100 -0.049 0.000 0.987 153 G HN 0.229 nan 8.290 nan 0.000 0.554 154 R N 1.412 121.813 120.500 -0.165 0.000 2.565 154 R HA 0.552 4.834 4.340 -0.096 0.000 0.286 154 R C 0.314 176.664 176.300 0.084 0.000 1.256 154 R CA 0.487 56.397 56.100 -0.316 0.000 1.238 154 R CB 0.797 30.690 30.300 -0.679 0.000 1.153 154 R HN 0.798 nan 8.270 nan 0.000 0.553 155 S N -0.009 115.871 115.700 0.300 0.000 2.671 155 S HA 0.643 5.055 4.470 -0.096 0.000 0.299 155 S C 0.090 174.926 174.600 0.393 0.000 1.116 155 S CA -0.771 57.622 58.200 0.322 0.000 0.912 155 S CB 2.095 65.478 63.200 0.305 0.000 1.130 155 S HN 0.362 nan 8.310 nan 0.000 0.501 156 T N -1.251 113.432 114.554 0.215 0.000 2.905 156 T HA 0.538 4.830 4.350 -0.096 0.000 0.283 156 T C 1.246 175.824 174.700 -0.203 0.000 1.031 156 T CA -1.065 61.094 62.100 0.098 0.000 1.002 156 T CB 0.270 69.193 68.868 0.091 0.000 1.200 156 T HN 0.480 nan 8.240 nan 0.000 0.560 157 L N 0.494 121.619 121.223 -0.163 0.000 2.129 157 L HA -0.078 4.205 4.340 -0.096 0.000 0.212 157 L C 3.109 179.816 176.870 -0.272 0.000 1.087 157 L CA 1.661 56.347 54.840 -0.256 0.000 0.757 157 L CB -0.894 41.186 42.059 0.036 0.000 0.896 157 L HN 0.941 nan 8.230 nan 0.000 0.434 158 A N -0.390 122.322 122.820 -0.181 0.000 2.070 158 A HA -0.181 4.082 4.320 -0.096 0.000 0.220 158 A C 1.906 179.438 177.584 -0.086 0.000 1.159 158 A CA 1.461 53.416 52.037 -0.137 0.000 0.656 158 A CB -0.277 18.685 19.000 -0.063 0.000 0.800 158 A HN 0.358 nan 8.150 nan 0.000 0.453 159 E N -0.309 119.825 120.200 -0.110 0.000 2.465 159 E HA 0.059 4.351 4.350 -0.096 0.000 0.191 159 E C 0.669 177.306 176.600 0.061 0.000 1.053 159 E CA -0.161 56.238 56.400 -0.002 0.000 0.869 159 E CB -0.032 29.715 29.700 0.079 0.000 0.977 159 E HN 0.732 nan 8.360 nan 0.000 0.483 160 Q N 1.142 120.918 119.800 -0.039 0.000 2.263 160 Q HA -0.043 4.240 4.340 -0.096 0.000 0.289 160 Q C 0.294 176.373 176.000 0.132 0.000 1.061 160 Q CA 0.381 56.274 55.803 0.151 0.000 0.927 160 Q CB 0.500 29.317 28.738 0.132 0.000 1.154 160 Q HN 0.002 nan 8.270 nan 0.000 0.378 161 R N 2.694 123.286 120.500 0.153 0.000 1.963 161 R HA 0.363 4.645 4.340 -0.096 0.000 0.144 161 R C -0.114 176.253 176.300 0.112 0.000 2.032 161 R CA 0.507 56.674 56.100 0.112 0.000 1.626 161 R CB -0.970 29.387 30.300 0.094 0.000 1.334 161 R HN 0.677 nan 8.270 nan 0.000 0.480 162 A N 1.952 124.833 122.820 0.102 0.000 2.425 162 A HA 0.109 4.371 4.320 -0.096 0.000 0.242 162 A C 0.000 177.656 177.584 0.119 0.000 1.077 162 A CA -0.074 52.016 52.037 0.088 0.000 0.781 162 A CB 0.108 19.142 19.000 0.057 0.000 1.020 162 A HN 0.258 nan 8.150 nan 0.000 0.494 163 Q N 1.097 120.956 119.800 0.099 0.000 2.324 163 Q HA 0.328 4.610 4.340 -0.096 0.000 0.257 163 Q C -0.873 175.178 176.000 0.084 0.000 1.080 163 Q CA 0.178 56.055 55.803 0.124 0.000 0.907 163 Q CB -0.256 28.549 28.738 0.110 0.000 1.274 163 Q HN 0.484 nan 8.270 nan 0.000 0.434 164 F N 7.330 127.252 119.950 -0.047 0.000 2.529 164 F HA 0.255 4.724 4.527 -0.097 0.000 0.365 164 F C -1.506 174.196 175.800 -0.163 0.000 1.102 164 F CA -1.910 55.996 58.000 -0.158 0.000 1.271 164 F CB 1.043 39.895 39.000 -0.246 0.000 1.120 164 F HN 0.623 nan 8.300 nan 0.000 0.579 165 P HA 0.026 nan 4.420 nan 0.000 0.255 165 P C -1.555 175.753 177.300 0.013 0.000 1.248 165 P CA 0.711 63.671 63.100 -0.233 0.000 0.807 165 P CB -0.124 31.420 31.700 -0.260 0.000 1.150 166 Y N -2.533 117.608 120.300 -0.265 0.000 2.656 166 Y HA 0.772 5.264 4.550 -0.096 0.000 0.334 166 Y C -1.266 174.384 175.900 -0.418 0.000 1.179 166 Y CA -1.761 56.219 58.100 -0.201 0.000 1.050 166 Y CB 0.363 38.796 38.460 -0.045 0.000 1.308 166 Y HN -0.043 nan 8.280 nan 0.000 0.456 167 A N 0.621 123.309 122.820 -0.221 0.000 2.686 167 A HA 0.873 5.135 4.320 -0.096 0.000 0.263 167 A C -2.163 175.251 177.584 -0.283 0.000 1.264 167 A CA -1.031 50.788 52.037 -0.362 0.000 0.799 167 A CB 0.834 19.642 19.000 -0.320 0.000 1.363 167 A HN 0.783 nan 8.150 nan 0.000 0.507 168 Y N -0.867 119.500 120.300 0.111 0.000 2.524 168 Y HA 0.570 5.061 4.550 -0.098 0.000 0.344 168 Y C -0.213 175.543 175.900 -0.239 0.000 1.012 168 Y CA -0.349 57.753 58.100 0.003 0.000 1.068 168 Y CB 1.836 40.469 38.460 0.288 0.000 1.249 168 Y HN 0.687 nan 8.280 nan 0.000 0.468 169 H N 2.529 121.690 119.070 0.152 0.000 2.457 169 H HA 0.618 5.120 4.556 -0.089 0.000 0.335 169 H C -1.061 174.320 175.328 0.087 0.000 1.115 169 H CA -0.799 55.254 56.048 0.008 0.000 1.219 169 H CB 1.219 31.024 29.762 0.072 0.000 1.471 169 H HN 0.585 nan 8.280 nan 0.000 0.491 170 F N -1.061 119.063 119.950 0.290 0.000 2.713 170 F HA 0.246 4.716 4.527 -0.094 0.000 0.311 170 F C -1.185 174.713 175.800 0.163 0.000 1.141 170 F CA -1.475 56.649 58.000 0.208 0.000 0.939 170 F CB 1.259 40.398 39.000 0.231 0.000 1.325 170 F HN 0.293 nan 8.300 nan 0.000 0.453 171 D N 1.691 122.372 120.400 0.468 0.000 2.344 171 D HA 0.300 4.883 4.640 -0.096 0.000 0.253 171 D C 0.947 177.445 176.300 0.330 0.000 1.255 171 D CA 0.471 54.664 54.000 0.321 0.000 0.894 171 D CB 1.805 42.725 40.800 0.200 0.000 1.067 171 D HN 0.797 nan 8.370 nan 0.000 0.492 172 A N 4.485 127.530 122.820 0.375 0.000 1.969 172 A HA -0.170 4.093 4.320 -0.096 0.000 0.218 172 A C 1.717 179.374 177.584 0.122 0.000 1.169 172 A CA 1.027 53.243 52.037 0.297 0.000 0.635 172 A CB -0.015 19.176 19.000 0.319 0.000 0.810 172 A HN 0.563 nan 8.150 nan 0.000 0.445 173 D N -0.062 120.411 120.400 0.121 0.000 2.117 173 D HA -0.126 4.457 4.640 -0.096 0.000 0.197 173 D C 1.755 178.088 176.300 0.054 0.000 0.987 173 D CA 1.174 55.226 54.000 0.086 0.000 0.829 173 D CB -0.199 40.653 40.800 0.088 0.000 0.961 173 D HN 0.379 nan 8.370 nan 0.000 0.460 174 E N 0.475 120.709 120.200 0.056 0.000 2.152 174 E HA -0.062 4.231 4.350 -0.096 0.000 0.192 174 E C 2.449 179.044 176.600 -0.007 0.000 0.983 174 E CA 0.134 56.554 56.400 0.034 0.000 0.818 174 E CB -0.197 29.534 29.700 0.052 0.000 0.758 174 E HN 0.148 nan 8.360 nan 0.000 0.467 175 V N 1.542 121.397 119.914 -0.097 0.000 2.358 175 V HA -0.235 3.827 4.120 -0.096 0.000 0.246 175 V C 2.422 178.469 176.094 -0.078 0.000 1.047 175 V CA 1.722 63.891 62.300 -0.219 0.000 1.035 175 V CB -0.828 30.630 31.823 -0.609 0.000 0.658 175 V HN 0.232 nan 8.190 nan 0.000 0.452 176 A N -0.053 122.749 122.820 -0.030 0.000 1.908 176 A HA -0.279 3.983 4.320 -0.096 0.000 0.218 176 A C 2.394 179.901 177.584 -0.127 0.000 1.181 176 A CA 2.183 54.235 52.037 0.026 0.000 0.627 176 A CB -0.585 18.490 19.000 0.125 0.000 0.818 176 A HN 0.482 nan 8.150 nan 0.000 0.445 177 R N -2.109 118.329 120.500 -0.103 0.000 2.083 177 R HA -0.205 4.077 4.340 -0.096 0.000 0.237 177 R C 2.090 178.284 176.300 -0.176 0.000 1.137 177 R CA 2.005 58.002 56.100 -0.173 0.000 0.951 177 R CB -0.528 29.734 30.300 -0.062 0.000 0.851 177 R HN 0.626 nan 8.270 nan 0.000 0.434 178 Y N 0.986 121.182 120.300 -0.174 0.000 2.128 178 Y HA -0.218 4.275 4.550 -0.095 0.000 0.284 178 Y C 1.878 177.691 175.900 -0.145 0.000 1.154 178 Y CA 1.872 59.892 58.100 -0.134 0.000 1.149 178 Y CB -0.203 38.194 38.460 -0.104 0.000 0.976 178 Y HN 0.050 nan 8.280 nan 0.000 0.505 179 L N -0.427 120.774 121.223 -0.037 0.000 2.093 179 L HA -0.198 4.084 4.340 -0.096 0.000 0.208 179 L C 2.755 179.511 176.870 -0.191 0.000 1.085 179 L CA 1.399 56.213 54.840 -0.043 0.000 0.755 179 L CB -0.893 41.218 42.059 0.087 0.000 0.904 179 L HN 0.362 nan 8.230 nan 0.000 0.435 180 S N -0.174 115.152 115.700 -0.623 0.000 2.370 180 S HA -0.242 4.170 4.470 -0.096 0.000 0.226 180 S C 1.722 175.879 174.600 -0.738 0.000 1.033 180 S CA 1.466 58.834 58.200 -1.386 0.000 1.011 180 S CB -0.336 61.606 63.200 -2.096 0.000 0.852 180 S HN 0.494 nan 8.310 nan 0.000 0.457 181 E N -0.042 119.864 120.200 -0.490 0.000 2.072 181 E HA -0.110 4.182 4.350 -0.096 0.000 0.191 181 E C 1.876 178.326 176.600 -0.252 0.000 0.985 181 E CA 1.333 57.528 56.400 -0.342 0.000 0.801 181 E CB -0.390 29.116 29.700 -0.324 0.000 0.750 181 E HN 0.764 nan 8.360 nan 0.000 0.452 182 Y N 1.249 121.323 120.300 -0.378 0.000 2.128 182 Y HA -0.311 4.182 4.550 -0.095 0.000 0.284 182 Y C 2.223 178.036 175.900 -0.145 0.000 1.154 182 Y CA 1.837 59.782 58.100 -0.260 0.000 1.149 182 Y CB -0.222 38.096 38.460 -0.237 0.000 0.976 182 Y HN 0.016 nan 8.280 nan 0.000 0.505 183 A N 0.130 123.004 122.820 0.091 0.000 1.897 183 A HA -0.096 4.166 4.320 -0.096 0.000 0.215 183 A C 2.235 179.832 177.584 0.021 0.000 1.181 183 A CA 1.641 53.758 52.037 0.133 0.000 0.620 183 A CB -1.025 18.206 19.000 0.385 0.000 0.821 183 A HN 0.572 nan 8.150 nan 0.000 0.443 184 I N 0.015 120.560 120.570 -0.041 0.000 2.226 184 I HA -0.286 3.827 4.170 -0.096 0.000 0.245 184 I C 2.925 178.998 176.117 -0.073 0.000 1.100 184 I CA 1.047 62.326 61.300 -0.034 0.000 1.374 184 I CB -0.298 37.650 38.000 -0.087 0.000 1.057 184 I HN 0.346 nan 8.210 nan 0.000 0.413 185 A N 0.584 123.321 122.820 -0.138 0.000 1.978 185 A HA -0.188 4.074 4.320 -0.096 0.000 0.220 185 A C 2.250 179.736 177.584 -0.164 0.000 1.170 185 A CA 1.530 53.474 52.037 -0.156 0.000 0.636 185 A CB -0.512 18.362 19.000 -0.209 0.000 0.810 185 A HN 0.366 nan 8.150 nan 0.000 0.448 186 R N -1.822 118.561 120.500 -0.195 0.000 2.334 186 R HA 0.273 4.556 4.340 -0.096 0.000 0.220 186 R C 1.036 177.286 176.300 -0.083 0.000 0.917 186 R CA 0.583 56.577 56.100 -0.177 0.000 1.073 186 R CB 0.162 30.297 30.300 -0.274 0.000 1.056 186 R HN 0.659 nan 8.270 nan 0.000 0.506 187 G N -0.076 108.696 108.800 -0.047 0.000 2.192 187 G HA2 -0.212 3.690 3.960 -0.096 0.000 0.193 187 G HA3 -0.212 3.690 3.960 -0.096 0.000 0.193 187 G C 0.047 174.962 174.900 0.024 0.000 0.999 187 G CA -0.385 44.709 45.100 -0.011 0.000 0.659 187 G HN 0.091 nan 8.290 nan 0.000 0.503 188 V N 1.915 121.860 119.914 0.052 0.000 2.585 188 V HA 0.299 4.362 4.120 -0.096 0.000 0.296 188 V C 1.250 177.416 176.094 0.120 0.000 1.035 188 V CA 0.012 62.371 62.300 0.098 0.000 1.084 188 V CB 1.279 33.210 31.823 0.181 0.000 0.953 188 V HN 0.448 nan 8.190 nan 0.000 0.483 189 R N 4.373 124.931 120.500 0.097 0.000 2.216 189 R HA 0.218 4.501 4.340 -0.096 0.000 0.332 189 R C -0.156 176.248 176.300 0.173 0.000 1.056 189 R CA -0.431 55.732 56.100 0.105 0.000 0.901 189 R CB 0.247 30.577 30.300 0.051 0.000 1.039 189 R HN 0.915 nan 8.270 nan 0.000 0.456 190 H N 4.086 123.210 119.070 0.090 0.000 2.552 190 H HA 0.288 4.787 4.556 -0.096 0.000 0.311 190 H C -1.137 174.197 175.328 0.010 0.000 1.071 190 H CA -0.778 55.345 56.048 0.125 0.000 1.307 190 H CB 1.173 31.064 29.762 0.215 0.000 1.416 190 H HN 0.255 nan 8.280 nan 0.000 0.464 191 V N 6.865 126.698 119.914 -0.136 0.000 2.407 191 V HA 0.116 4.178 4.120 -0.096 0.000 0.291 191 V C -0.275 175.582 176.094 -0.395 0.000 1.018 191 V CA -0.796 61.270 62.300 -0.390 0.000 0.842 191 V CB 1.508 33.096 31.823 -0.391 0.000 0.996 191 V HN 0.514 nan 8.190 nan 0.000 0.426 192 V N 4.630 124.295 119.914 -0.414 0.000 2.334 192 V HA 0.631 4.693 4.120 -0.096 0.000 0.267 192 V C -0.324 175.732 176.094 -0.063 0.000 1.040 192 V CA 0.134 62.311 62.300 -0.206 0.000 0.866 192 V CB 1.043 32.766 31.823 -0.168 0.000 1.019 192 V HN 0.952 nan 8.190 nan 0.000 0.468 193 D N 2.010 122.395 120.400 -0.025 0.000 2.755 193 D HA 0.263 4.845 4.640 -0.096 0.000 0.277 193 D C -1.799 174.524 176.300 0.039 0.000 1.261 193 D CA -0.505 53.526 54.000 0.051 0.000 0.759 193 D CB 2.382 43.252 40.800 0.116 0.000 1.279 193 D HN 0.387 nan 8.370 nan 0.000 0.420 194 D N 0.216 120.651 120.400 0.057 0.000 2.163 194 D HA 0.360 4.942 4.640 -0.096 0.000 0.248 194 D C -0.144 176.190 176.300 0.056 0.000 1.035 194 D CA -0.322 53.706 54.000 0.047 0.000 0.872 194 D CB 2.028 42.856 40.800 0.046 0.000 1.183 194 D HN -0.036 nan 8.370 nan 0.000 0.445 195 V N 3.233 123.175 119.914 0.046 0.000 2.432 195 V HA 0.012 4.074 4.120 -0.096 0.000 0.271 195 V C 1.244 177.383 176.094 0.074 0.000 1.046 195 V CA -0.229 62.106 62.300 0.059 0.000 0.945 195 V CB 1.429 33.273 31.823 0.034 0.000 0.992 195 V HN 0.408 nan 8.190 nan 0.000 0.471 196 Q N 2.465 122.331 119.800 0.111 0.000 2.204 196 Q HA 0.137 4.420 4.340 -0.096 0.000 0.198 196 Q C 0.638 176.740 176.000 0.171 0.000 0.946 196 Q CA 0.947 56.819 55.803 0.115 0.000 0.859 196 Q CB 0.475 29.278 28.738 0.109 0.000 0.946 196 Q HN 0.850 nan 8.270 nan 0.000 0.474 197 H N -0.987 118.130 119.070 0.079 0.000 3.038 197 H HA 0.358 4.857 4.556 -0.096 0.000 0.362 197 H C -1.530 173.886 175.328 0.146 0.000 1.167 197 H CA -0.515 55.571 56.048 0.063 0.000 1.197 197 H CB 1.922 31.667 29.762 -0.028 0.000 1.840 197 H HN -0.210 nan 8.280 nan 0.000 0.540 198 V N 3.901 123.539 119.914 -0.461 0.000 2.333 198 V HA 0.315 4.377 4.120 -0.096 0.000 0.274 198 V C 0.980 176.674 176.094 -0.667 0.000 1.028 198 V CA -0.285 61.771 62.300 -0.406 0.000 0.851 198 V CB 0.938 32.589 31.823 -0.286 0.000 1.000 198 V HN 0.817 nan 8.190 nan 0.000 0.456 199 G N 4.173 112.791 108.800 -0.304 0.000 2.467 199 G HA2 0.511 4.414 3.960 -0.096 0.000 0.257 199 G HA3 0.511 4.414 3.960 -0.096 0.000 0.257 199 G C -0.589 174.233 174.900 -0.131 0.000 1.227 199 G CA -0.226 44.810 45.100 -0.107 0.000 0.835 199 G HN 0.648 nan 8.290 nan 0.000 0.556 200 Q N -0.003 119.775 119.800 -0.038 0.000 2.397 200 Q HA 0.281 4.563 4.340 -0.096 0.000 0.275 200 Q C -0.870 175.145 176.000 0.025 0.000 1.090 200 Q CA -0.962 54.825 55.803 -0.026 0.000 0.809 200 Q CB 2.472 31.197 28.738 -0.022 0.000 1.362 200 Q HN 0.782 nan 8.270 nan 0.000 0.431 201 D N -0.194 120.226 120.400 0.033 0.000 2.478 201 D HA -0.057 4.525 4.640 -0.096 0.000 0.269 201 D C 0.794 177.106 176.300 0.019 0.000 1.232 201 D CA -0.272 53.743 54.000 0.024 0.000 1.059 201 D CB 0.461 41.264 40.800 0.005 0.000 1.104 201 D HN 0.669 nan 8.370 nan 0.000 0.566 202 E N -0.577 119.619 120.200 -0.006 0.000 2.268 202 E HA -0.186 4.107 4.350 -0.096 0.000 0.195 202 E C 1.399 177.997 176.600 -0.004 0.000 0.995 202 E CA 0.625 57.020 56.400 -0.007 0.000 0.836 202 E CB -0.268 29.420 29.700 -0.020 0.000 0.763 202 E HN 0.372 nan 8.360 nan 0.000 0.491 203 R N 0.078 120.569 120.500 -0.016 0.000 2.297 203 R HA 0.122 4.404 4.340 -0.096 0.000 0.197 203 R C 1.126 177.530 176.300 0.174 0.000 0.943 203 R CA 0.481 56.589 56.100 0.014 0.000 1.038 203 R CB 0.461 30.653 30.300 -0.180 0.000 0.957 203 R HN 0.389 nan 8.270 nan 0.000 0.484 204 G N 0.399 109.286 108.800 0.145 0.000 2.157 204 G HA2 -0.217 3.685 3.960 -0.096 0.000 0.248 204 G HA3 -0.217 3.685 3.960 -0.096 0.000 0.248 204 G C -0.470 174.534 174.900 0.174 0.000 0.979 204 G CA -0.265 44.914 45.100 0.133 0.000 0.650 204 G HN 0.181 nan 8.290 nan 0.000 0.529 205 W N 0.713 121.941 121.300 -0.121 0.000 2.261 205 W HA 0.678 5.281 4.660 -0.095 0.000 0.323 205 W C 1.083 177.490 176.519 -0.188 0.000 1.243 205 W CA -1.263 55.983 57.345 -0.165 0.000 1.210 205 W CB 0.294 29.635 29.460 -0.199 0.000 1.149 205 W HN 0.104 nan 8.180 nan 0.000 0.562 206 I N 3.500 124.000 120.570 -0.118 0.000 2.598 206 I HA -0.121 3.991 4.170 -0.096 0.000 0.284 206 I C 1.373 177.326 176.117 -0.273 0.000 1.140 206 I CA 0.519 61.602 61.300 -0.362 0.000 1.420 206 I CB 0.477 37.987 38.000 -0.818 0.000 1.387 206 I HN 0.537 nan 8.210 nan 0.000 0.553 207 S N 3.909 119.498 115.700 -0.185 0.000 2.456 207 S HA 0.356 4.769 4.470 -0.096 0.000 0.224 207 S C 0.743 175.363 174.600 0.033 0.000 1.035 207 S CA 0.216 58.411 58.200 -0.008 0.000 0.940 207 S CB 0.580 63.801 63.200 0.035 0.000 0.799 207 S HN 0.876 nan 8.310 nan 0.000 0.508 208 G N 0.544 109.248 108.800 -0.159 0.000 2.356 208 G HA2 0.439 4.341 3.960 -0.096 0.000 0.294 208 G HA3 0.439 4.341 3.960 -0.096 0.000 0.294 208 G C -1.545 173.226 174.900 -0.215 0.000 1.423 208 G CA -0.276 44.795 45.100 -0.049 0.000 0.806 208 G HN 0.955 nan 8.290 nan 0.000 0.527 209 V N -1.643 118.204 119.914 -0.113 0.000 2.448 209 V HA 0.715 4.777 4.120 -0.096 0.000 0.295 209 V C -0.554 175.433 176.094 -0.178 0.000 1.025 209 V CA -1.041 61.192 62.300 -0.111 0.000 0.859 209 V CB 1.329 33.160 31.823 0.013 0.000 0.988 209 V HN 0.786 nan 8.190 nan 0.000 0.431 210 H N 4.038 123.133 119.070 0.041 0.000 2.594 210 H HA 0.502 5.001 4.556 -0.096 0.000 0.304 210 H C 0.401 175.773 175.328 0.075 0.000 1.068 210 H CA 0.175 56.269 56.048 0.077 0.000 1.308 210 H CB 1.786 31.619 29.762 0.118 0.000 1.409 210 H HN 0.973 nan 8.280 nan 0.000 0.460 211 T N -0.290 114.357 114.554 0.155 0.000 2.945 211 T HA 0.236 4.529 4.350 -0.096 0.000 0.286 211 T C 1.307 176.085 174.700 0.130 0.000 1.025 211 T CA -1.101 61.078 62.100 0.131 0.000 1.039 211 T CB 2.310 71.259 68.868 0.135 0.000 1.068 211 T HN 0.436 nan 8.240 nan 0.000 0.497 212 K N 0.296 120.762 120.400 0.110 0.000 2.057 212 K HA -0.112 4.150 4.320 -0.096 0.000 0.207 212 K C 1.743 178.377 176.600 0.057 0.000 1.049 212 K CA 1.722 58.056 56.287 0.078 0.000 0.931 212 K CB -0.017 32.522 32.500 0.064 0.000 0.714 212 K HN 0.700 nan 8.250 nan 0.000 0.440 213 Q N -1.988 117.851 119.800 0.064 0.000 2.126 213 Q HA 0.092 4.374 4.340 -0.096 0.000 0.233 213 Q C 0.199 176.087 176.000 -0.187 0.000 0.788 213 Q CA 0.068 55.834 55.803 -0.061 0.000 0.968 213 Q CB 0.862 29.529 28.738 -0.119 0.000 1.163 213 Q HN 0.331 nan 8.270 nan 0.000 0.471 214 H N 0.016 119.099 119.070 0.022 0.000 2.581 214 H HA 0.352 4.851 4.556 -0.096 0.000 0.275 214 H C 0.801 176.144 175.328 0.024 0.000 1.126 214 H CA 0.309 56.367 56.048 0.017 0.000 1.097 214 H CB 0.980 30.747 29.762 0.008 0.000 1.626 214 H HN 0.365 nan 8.280 nan 0.000 0.565 215 G N 1.088 109.959 108.800 0.119 0.000 2.575 215 G HA2 -0.351 3.552 3.960 -0.096 0.000 0.267 215 G HA3 -0.351 3.552 3.960 -0.096 0.000 0.267 215 G C -0.017 174.935 174.900 0.087 0.000 1.264 215 G CA -0.078 45.086 45.100 0.106 0.000 0.935 215 G HN 0.485 nan 8.290 nan 0.000 0.568 216 E N -0.197 120.028 120.200 0.042 0.000 2.289 216 E HA 0.452 4.744 4.350 -0.096 0.000 0.278 216 E C -0.113 176.456 176.600 -0.052 0.000 1.032 216 E CA -0.495 55.837 56.400 -0.114 0.000 0.854 216 E CB 0.253 29.845 29.700 -0.180 0.000 1.046 216 E HN 0.391 nan 8.360 nan 0.000 0.409 217 I N 4.630 125.166 120.570 -0.057 0.000 2.330 217 I HA 0.107 4.220 4.170 -0.096 0.000 0.286 217 I C 0.028 176.175 176.117 0.050 0.000 1.025 217 I CA -0.375 60.926 61.300 0.002 0.000 1.197 217 I CB 1.290 39.293 38.000 0.005 0.000 1.358 217 I HN 0.420 nan 8.210 nan 0.000 0.467 218 S N 4.298 120.031 115.700 0.053 0.000 2.651 218 S HA 0.966 5.378 4.470 -0.096 0.000 0.291 218 S C -0.095 174.526 174.600 0.035 0.000 1.141 218 S CA -0.566 57.715 58.200 0.134 0.000 1.027 218 S CB 2.307 65.568 63.200 0.101 0.000 1.043 218 S HN 0.766 nan 8.310 nan 0.000 0.530 219 G N -0.177 108.638 108.800 0.025 0.000 2.548 219 G HA2 0.465 4.367 3.960 -0.096 0.000 0.301 219 G HA3 0.465 4.367 3.960 -0.096 0.000 0.301 219 G C -0.848 174.036 174.900 -0.028 0.000 1.349 219 G CA -0.620 44.369 45.100 -0.185 0.000 0.792 219 G HN 0.544 nan 8.290 nan 0.000 0.481 220 D N -1.150 119.249 120.400 -0.001 0.000 2.197 220 D HA 0.083 4.666 4.640 -0.096 0.000 0.212 220 D C 0.512 177.007 176.300 0.324 0.000 0.963 220 D CA 0.784 54.926 54.000 0.238 0.000 0.864 220 D CB 0.472 41.429 40.800 0.261 0.000 1.009 220 D HN 0.138 nan 8.370 nan 0.000 0.479 221 L N 0.244 121.513 121.223 0.077 0.000 2.346 221 L HA 0.422 4.705 4.340 -0.096 0.000 0.276 221 L C -1.506 175.214 176.870 -0.251 0.000 1.006 221 L CA -0.561 54.337 54.840 0.096 0.000 0.817 221 L CB 1.482 43.546 42.059 0.008 0.000 1.272 221 L HN -0.284 nan 8.230 nan 0.000 0.421 222 F N 4.307 124.213 119.950 -0.073 0.000 2.482 222 F HA 0.610 5.079 4.527 -0.096 0.000 0.331 222 F C -0.257 175.440 175.800 -0.172 0.000 1.115 222 F CA -0.827 57.108 58.000 -0.108 0.000 0.955 222 F CB 2.044 40.980 39.000 -0.107 0.000 1.136 222 F HN 0.094 nan 8.300 nan 0.000 0.452 223 V N 2.245 122.142 119.914 -0.029 0.000 2.370 223 V HA 0.213 4.275 4.120 -0.096 0.000 0.283 223 V C -0.586 175.473 176.094 -0.060 0.000 1.023 223 V CA -0.759 61.484 62.300 -0.095 0.000 0.857 223 V CB 1.449 33.197 31.823 -0.126 0.000 0.985 223 V HN 0.578 nan 8.190 nan 0.000 0.443 224 D N 3.721 124.082 120.400 -0.066 0.000 2.411 224 D HA 0.215 4.797 4.640 -0.096 0.000 0.225 224 D C 0.087 176.348 176.300 -0.066 0.000 1.156 224 D CA -0.191 53.777 54.000 -0.053 0.000 0.874 224 D CB 0.954 41.728 40.800 -0.044 0.000 1.034 224 D HN 0.596 nan 8.370 nan 0.000 0.502 225 C N 3.112 122.363 119.300 -0.081 0.000 2.548 225 C HA 0.128 4.530 4.460 -0.096 0.000 0.297 225 C C 1.849 176.783 174.990 -0.093 0.000 1.422 225 C CA -0.230 58.731 59.018 -0.095 0.000 1.785 225 C CB -1.371 26.290 27.740 -0.131 0.000 2.593 225 C HN 0.707 nan 8.230 nan 0.000 0.545 226 T N -2.076 112.432 114.554 -0.076 0.000 3.169 226 T HA 0.425 4.718 4.350 -0.096 0.000 0.250 226 T C 1.198 175.841 174.700 -0.095 0.000 1.111 226 T CA 0.853 62.910 62.100 -0.072 0.000 1.010 226 T CB 0.092 68.930 68.868 -0.049 0.000 0.984 226 T HN 0.931 nan 8.240 nan 0.000 0.537 227 G N 1.474 110.195 108.800 -0.132 0.000 2.553 227 G HA2 -0.245 3.657 3.960 -0.096 0.000 0.242 227 G HA3 -0.245 3.657 3.960 -0.096 0.000 0.242 227 G C 0.182 174.984 174.900 -0.163 0.000 1.277 227 G CA -0.124 44.828 45.100 -0.246 0.000 0.910 227 G HN 0.182 nan 8.290 nan 0.000 0.576 228 F N 1.316 121.187 119.950 -0.133 0.000 2.202 228 F HA -0.045 4.422 4.527 -0.098 0.000 0.301 228 F C 2.976 178.675 175.800 -0.168 0.000 1.082 228 F CA 1.992 59.885 58.000 -0.179 0.000 1.313 228 F CB -0.537 38.339 39.000 -0.206 0.000 1.024 228 F HN 0.389 nan 8.300 nan 0.000 0.495 229 R N 0.049 120.575 120.500 0.044 0.000 2.113 229 R HA -0.169 4.113 4.340 -0.096 0.000 0.244 229 R C 1.682 177.967 176.300 -0.025 0.000 1.142 229 R CA 1.269 57.367 56.100 -0.005 0.000 0.953 229 R CB -1.194 29.097 30.300 -0.015 0.000 0.860 229 R HN 0.411 nan 8.270 nan 0.000 0.438 230 G N 1.183 109.970 108.800 -0.023 0.000 2.323 230 G HA2 -0.248 3.654 3.960 -0.096 0.000 0.292 230 G HA3 -0.248 3.654 3.960 -0.096 0.000 0.292 230 G C 0.506 175.391 174.900 -0.025 0.000 1.040 230 G CA 0.406 45.495 45.100 -0.018 0.000 0.942 230 G HN 0.287 nan 8.290 nan 0.000 0.506 231 L N -0.679 120.526 121.223 -0.030 0.000 2.043 231 L HA -0.021 4.262 4.340 -0.096 0.000 0.212 231 L C 2.669 179.510 176.870 -0.049 0.000 1.075 231 L CA 2.534 57.354 54.840 -0.034 0.000 0.752 231 L CB -0.283 41.757 42.059 -0.032 0.000 0.891 231 L HN 0.503 nan 8.230 nan 0.000 0.432 232 L N -1.934 119.256 121.223 -0.055 0.000 2.121 232 L HA -0.049 4.233 4.340 -0.096 0.000 0.200 232 L C 2.418 179.248 176.870 -0.066 0.000 1.077 232 L CA 0.815 55.606 54.840 -0.081 0.000 0.766 232 L CB -0.635 41.372 42.059 -0.086 0.000 0.931 232 L HN 0.204 nan 8.230 nan 0.000 0.452 233 I N 0.301 120.847 120.570 -0.040 0.000 2.439 233 I HA -0.187 3.926 4.170 -0.096 0.000 0.251 233 I C 1.674 177.791 176.117 0.001 0.000 1.139 233 I CA 1.703 62.992 61.300 -0.019 0.000 1.438 233 I CB -0.227 37.779 38.000 0.010 0.000 1.085 233 I HN 0.258 nan 8.210 nan 0.000 0.427 234 N N -1.216 117.486 118.700 0.003 0.000 2.622 234 N HA 0.034 4.716 4.740 -0.096 0.000 0.213 234 N C 1.624 177.131 175.510 -0.006 0.000 1.037 234 N CA 0.288 53.346 53.050 0.013 0.000 0.999 234 N CB -0.111 38.385 38.487 0.015 0.000 1.342 234 N HN 0.185 nan 8.380 nan 0.000 0.465 235 Q N 0.065 119.854 119.800 -0.018 0.000 2.119 235 Q HA -0.031 4.252 4.340 -0.096 0.000 0.201 235 Q C 1.175 177.161 176.000 -0.025 0.000 0.972 235 Q CA 1.399 57.190 55.803 -0.019 0.000 0.847 235 Q CB 0.035 28.760 28.738 -0.020 0.000 0.903 235 Q HN 0.379 nan 8.270 nan 0.000 0.433 236 T N 0.537 115.065 114.554 -0.044 0.000 2.925 236 T HA 0.096 4.388 4.350 -0.096 0.000 0.245 236 T C 1.673 176.340 174.700 -0.055 0.000 1.025 236 T CA 0.436 62.499 62.100 -0.062 0.000 1.149 236 T CB 0.073 68.875 68.868 -0.110 0.000 0.866 236 T HN 0.104 nan 8.240 nan 0.000 0.437 237 L N 0.703 121.891 121.223 -0.058 0.000 2.591 237 L HA 0.311 4.594 4.340 -0.096 0.000 0.228 237 L C 1.720 178.575 176.870 -0.025 0.000 1.133 237 L CA 0.215 55.023 54.840 -0.054 0.000 0.880 237 L CB -0.330 41.682 42.059 -0.078 0.000 1.033 237 L HN 0.536 nan 8.230 nan 0.000 0.450 238 G N 0.572 109.366 108.800 -0.011 0.000 2.176 238 G HA2 -0.238 3.664 3.960 -0.096 0.000 0.252 238 G HA3 -0.238 3.664 3.960 -0.096 0.000 0.252 238 G C 0.605 175.515 174.900 0.017 0.000 1.024 238 G CA -0.036 45.066 45.100 0.005 0.000 0.755 238 G HN 0.509 nan 8.290 nan 0.000 0.507 239 G N -0.416 108.397 108.800 0.022 0.000 2.414 239 G HA2 0.421 4.323 3.960 -0.096 0.000 0.236 239 G HA3 0.421 4.323 3.960 -0.096 0.000 0.236 239 G C 0.412 175.353 174.900 0.069 0.000 1.293 239 G CA -0.391 44.733 45.100 0.041 0.000 0.869 239 G HN 0.596 nan 8.290 nan 0.000 0.556 240 R N 0.901 121.438 120.500 0.063 0.000 2.265 240 R HA 0.206 4.488 4.340 -0.096 0.000 0.314 240 R C -0.998 175.365 176.300 0.105 0.000 1.053 240 R CA -0.388 55.758 56.100 0.077 0.000 0.931 240 R CB 1.187 31.512 30.300 0.042 0.000 1.024 240 R HN 0.459 nan 8.270 nan 0.000 0.457 241 F N 2.490 122.438 119.950 -0.003 0.000 2.415 241 F HA 0.134 4.603 4.527 -0.097 0.000 0.348 241 F C 0.189 175.980 175.800 -0.014 0.000 1.119 241 F CA -0.430 57.561 58.000 -0.015 0.000 1.069 241 F CB 1.379 40.364 39.000 -0.024 0.000 1.124 241 F HN 0.341 nan 8.300 nan 0.000 0.472 242 Q N 5.229 124.695 119.800 -0.556 0.000 2.377 242 Q HA 0.208 4.491 4.340 -0.096 0.000 0.249 242 Q C -0.457 175.292 176.000 -0.418 0.000 1.005 242 Q CA -0.402 55.220 55.803 -0.303 0.000 0.912 242 Q CB 0.979 29.621 28.738 -0.159 0.000 1.223 242 Q HN 0.720 nan 8.270 nan 0.000 0.459 243 S N 3.391 119.071 115.700 -0.032 0.000 2.564 243 S HA 0.179 4.591 4.470 -0.096 0.000 0.278 243 S C 0.127 174.839 174.600 0.188 0.000 1.333 243 S CA -0.437 57.803 58.200 0.067 0.000 1.048 243 S CB 0.287 63.585 63.200 0.163 0.000 0.900 243 S HN 0.597 nan 8.310 nan 0.000 0.505 244 F N 2.732 122.732 119.950 0.084 0.000 2.660 244 F HA 0.288 4.756 4.527 -0.098 0.000 0.302 244 F C 2.193 178.029 175.800 0.060 0.000 1.103 244 F CA -0.559 57.477 58.000 0.061 0.000 1.340 244 F CB -1.278 37.764 39.000 0.071 0.000 1.048 244 F HN 0.494 nan 8.300 nan 0.000 0.551 245 S N 0.623 116.452 115.700 0.215 0.000 2.400 245 S HA -0.210 4.202 4.470 -0.096 0.000 0.232 245 S C 1.891 176.548 174.600 0.095 0.000 1.025 245 S CA 1.708 59.988 58.200 0.132 0.000 0.993 245 S CB -0.309 62.945 63.200 0.090 0.000 0.808 245 S HN 0.559 nan 8.310 nan 0.000 0.478 246 D N 1.439 121.897 120.400 0.097 0.000 2.218 246 D HA -0.098 4.484 4.640 -0.096 0.000 0.204 246 D C 1.767 178.090 176.300 0.038 0.000 0.976 246 D CA 1.480 55.516 54.000 0.061 0.000 0.853 246 D CB -0.531 40.305 40.800 0.060 0.000 0.939 246 D HN 0.524 nan 8.370 nan 0.000 0.481 247 V N -2.936 117.008 119.914 0.050 0.000 3.570 247 V HA 0.338 4.401 4.120 -0.096 0.000 0.257 247 V C 0.804 176.898 176.094 0.000 0.000 1.272 247 V CA -0.243 62.066 62.300 0.015 0.000 1.079 247 V CB -0.115 31.708 31.823 -0.001 0.000 0.829 247 V HN 0.036 nan 8.190 nan 0.000 0.454 248 L N 2.572 123.825 121.223 0.051 0.000 2.454 248 L HA 0.502 4.784 4.340 -0.096 0.000 0.258 248 L C -1.979 174.921 176.870 0.049 0.000 1.025 248 L CA -1.149 53.715 54.840 0.039 0.000 0.901 248 L CB 2.412 44.572 42.059 0.167 0.000 1.210 248 L HN 0.027 nan 8.230 nan 0.000 0.457 249 P HA -0.009 nan 4.420 nan 0.000 0.245 249 P C -0.101 177.239 177.300 0.068 0.000 1.206 249 P CA 0.071 63.188 63.100 0.029 0.000 0.781 249 P CB 0.170 31.879 31.700 0.016 0.000 0.994 250 N N 2.810 121.563 118.700 0.088 0.000 2.411 250 N HA -0.045 4.637 4.740 -0.096 0.000 0.265 250 N C 0.961 176.498 175.510 0.044 0.000 1.266 250 N CA 0.542 53.651 53.050 0.099 0.000 0.889 250 N CB -0.074 38.535 38.487 0.204 0.000 1.069 250 N HN 0.321 nan 8.380 nan 0.000 0.476 251 N N 1.116 119.766 118.700 -0.082 0.000 2.118 251 N HA 0.088 4.770 4.740 -0.096 0.000 0.226 251 N C -0.191 175.188 175.510 -0.218 0.000 1.305 251 N CA 0.007 52.991 53.050 -0.110 0.000 0.890 251 N CB 0.927 39.359 38.487 -0.091 0.000 1.118 251 N HN 0.307 nan 8.380 nan 0.000 0.511 252 R N -0.462 119.780 120.500 -0.429 0.000 2.799 252 R HA 0.859 5.141 4.340 -0.096 0.000 0.270 252 R C -1.496 174.532 176.300 -0.454 0.000 1.010 252 R CA -0.870 54.935 56.100 -0.492 0.000 0.916 252 R CB 2.189 32.055 30.300 -0.724 0.000 1.228 252 R HN 0.124 nan 8.270 nan 0.000 0.469 253 A N 0.639 123.400 122.820 -0.099 0.000 2.539 253 A HA 0.703 4.965 4.320 -0.096 0.000 0.296 253 A C -1.686 175.974 177.584 0.126 0.000 1.073 253 A CA -0.657 51.426 52.037 0.076 0.000 0.700 253 A CB 2.261 21.374 19.000 0.188 0.000 1.296 253 A HN 0.361 nan 8.150 nan 0.000 0.405 254 V N 0.604 120.524 119.914 0.010 0.000 2.638 254 V HA 0.858 4.920 4.120 -0.096 0.000 0.306 254 V C -0.284 175.659 176.094 -0.252 0.000 1.052 254 V CA 0.282 62.453 62.300 -0.215 0.000 0.885 254 V CB 1.449 33.043 31.823 -0.382 0.000 0.999 254 V HN 2.045 nan 8.190 nan 0.000 0.424 255 A N 6.571 129.265 122.820 -0.210 0.000 2.454 255 A HA 0.973 5.235 4.320 -0.096 0.000 0.302 255 A C -1.600 175.916 177.584 -0.113 0.000 1.079 255 A CA -0.718 51.212 52.037 -0.178 0.000 0.731 255 A CB 1.880 20.909 19.000 0.048 0.000 1.299 255 A HN 0.921 nan 8.150 nan 0.000 0.413 256 L N 0.854 122.018 121.223 -0.098 0.000 2.422 256 L HA 0.540 4.822 4.340 -0.096 0.000 0.264 256 L C -0.329 176.539 176.870 -0.003 0.000 0.984 256 L CA -0.625 54.184 54.840 -0.052 0.000 0.819 256 L CB 2.507 44.518 42.059 -0.080 0.000 1.330 256 L HN 0.837 nan 8.230 nan 0.000 0.410 257 R N 1.776 122.288 120.500 0.020 0.000 2.265 257 R HA 0.556 4.838 4.340 -0.096 0.000 0.319 257 R C -1.162 175.145 176.300 0.011 0.000 1.006 257 R CA -0.560 55.562 56.100 0.037 0.000 0.880 257 R CB 1.718 32.050 30.300 0.053 0.000 1.077 257 R HN 0.238 nan 8.270 nan 0.000 0.454 258 V N 5.649 125.566 119.914 0.005 0.000 2.326 258 V HA 0.254 4.316 4.120 -0.096 0.000 0.281 258 V C -2.148 173.938 176.094 -0.014 0.000 1.015 258 V CA -2.411 59.881 62.300 -0.014 0.000 0.823 258 V CB 1.378 33.182 31.823 -0.031 0.000 1.009 258 V HN 0.647 nan 8.190 nan 0.000 0.436 259 P HA 0.080 nan 4.420 nan 0.000 0.264 259 P C -0.287 176.985 177.300 -0.047 0.000 1.183 259 P CA 0.002 63.088 63.100 -0.024 0.000 0.763 259 P CB 0.522 32.210 31.700 -0.020 0.000 0.807 260 R N 2.590 123.050 120.500 -0.068 0.000 2.221 260 R HA 0.077 4.359 4.340 -0.096 0.000 0.327 260 R C 1.128 177.361 176.300 -0.112 0.000 1.033 260 R CA -0.224 55.818 56.100 -0.096 0.000 0.887 260 R CB 0.456 30.681 30.300 -0.126 0.000 1.057 260 R HN 0.356 nan 8.270 nan 0.000 0.455 261 E N 2.861 123.002 120.200 -0.099 0.000 2.046 261 E HA -0.046 4.246 4.350 -0.096 0.000 0.190 261 E C -0.424 176.099 176.600 -0.128 0.000 0.982 261 E CA 1.326 57.668 56.400 -0.096 0.000 0.800 261 E CB 0.290 29.946 29.700 -0.073 0.000 0.756 261 E HN 0.496 nan 8.360 nan 0.000 0.449 262 N N 1.562 120.175 118.700 -0.144 0.000 2.444 262 N HA 0.052 4.734 4.740 -0.096 0.000 0.262 262 N C -0.442 174.906 175.510 -0.270 0.000 0.974 262 N CA -0.207 52.737 53.050 -0.177 0.000 0.933 262 N CB 1.535 39.945 38.487 -0.128 0.000 1.137 262 N HN 0.052 nan 8.380 nan 0.000 0.498 263 D N 1.660 121.804 120.400 -0.426 0.000 2.158 263 D HA -0.177 4.405 4.640 -0.096 0.000 0.197 263 D C 0.721 176.673 176.300 -0.580 0.000 0.995 263 D CA 1.659 55.172 54.000 -0.812 0.000 0.846 263 D CB 0.340 40.221 40.800 -1.533 0.000 0.941 263 D HN 0.566 nan 8.370 nan 0.000 0.456 264 E N 0.539 120.538 120.200 -0.335 0.000 2.478 264 E HA -0.068 4.224 4.350 -0.096 0.000 0.198 264 E C 1.069 177.612 176.600 -0.096 0.000 1.046 264 E CA 0.373 56.685 56.400 -0.146 0.000 0.870 264 E CB -0.002 29.646 29.700 -0.086 0.000 0.818 264 E HN 0.205 nan 8.360 nan 0.000 0.527 265 D N -0.001 120.323 120.400 -0.127 0.000 2.363 265 D HA -0.032 4.550 4.640 -0.096 0.000 0.220 265 D C 0.420 176.664 176.300 -0.093 0.000 0.994 265 D CA 0.236 54.179 54.000 -0.095 0.000 0.890 265 D CB -0.056 40.684 40.800 -0.099 0.000 0.906 265 D HN 0.243 nan 8.370 nan 0.000 0.530 266 M N 1.294 120.843 119.600 -0.086 0.000 2.303 266 M HA -0.006 4.416 4.480 -0.096 0.000 0.350 266 M C -0.171 176.089 176.300 -0.068 0.000 1.518 266 M CA 0.351 55.621 55.300 -0.050 0.000 1.070 266 M CB 0.338 32.971 32.600 0.054 0.000 1.910 266 M HN -0.294 nan 8.290 nan 0.000 0.458 267 R N 6.709 127.097 120.500 -0.186 0.000 2.349 267 R HA 0.360 4.643 4.340 -0.096 0.000 0.299 267 R C -2.030 174.100 176.300 -0.283 0.000 1.027 267 R CA -1.466 54.386 56.100 -0.413 0.000 0.958 267 R CB 0.585 30.319 30.300 -0.943 0.000 1.047 267 R HN 0.450 nan 8.270 nan 0.000 0.468 268 P HA 0.072 nan 4.420 nan 0.000 0.220 268 P C -1.693 175.782 177.300 0.292 0.000 1.793 268 P CA 0.015 63.189 63.100 0.124 0.000 0.917 268 P CB -0.088 31.687 31.700 0.124 0.000 1.755 269 Y N -4.507 115.986 120.300 0.322 0.000 2.662 269 Y HA 0.515 5.003 4.550 -0.102 0.000 0.334 269 Y C -0.690 175.392 175.900 0.303 0.000 1.185 269 Y CA -1.323 56.968 58.100 0.317 0.000 1.074 269 Y CB -0.039 38.541 38.460 0.200 0.000 1.330 269 Y HN -0.369 nan 8.280 nan 0.000 0.458 270 T N 1.978 116.847 114.554 0.525 0.000 2.910 270 T HA 0.539 4.831 4.350 -0.096 0.000 0.293 270 T C -0.450 174.406 174.700 0.260 0.000 1.015 270 T CA -0.226 62.056 62.100 0.302 0.000 1.094 270 T CB 0.935 69.982 68.868 0.297 0.000 0.968 270 T HN 0.681 nan 8.240 nan 0.000 0.521 271 T N 2.280 116.946 114.554 0.186 0.000 2.823 271 T HA 0.643 4.936 4.350 -0.096 0.000 0.279 271 T C -0.390 174.391 174.700 0.134 0.000 0.998 271 T CA -0.708 61.457 62.100 0.109 0.000 0.994 271 T CB 1.398 70.338 68.868 0.120 0.000 0.960 271 T HN 0.656 nan 8.240 nan 0.000 0.448 272 A N 2.699 125.502 122.820 -0.027 0.000 2.293 272 A HA 0.633 4.895 4.320 -0.096 0.000 0.312 272 A C 0.096 177.948 177.584 0.446 0.000 1.309 272 A CA -0.699 51.480 52.037 0.236 0.000 0.839 272 A CB 0.362 19.175 19.000 -0.313 0.000 1.155 272 A HN 0.696 nan 8.150 nan 0.000 0.501 273 T N 2.523 117.336 114.554 0.430 0.000 2.756 273 T HA 0.544 4.836 4.350 -0.096 0.000 0.290 273 T C 0.483 175.216 174.700 0.054 0.000 0.985 273 T CA 0.039 62.263 62.100 0.206 0.000 0.955 273 T CB 1.235 70.135 68.868 0.055 0.000 0.930 273 T HN 0.984 nan 8.240 nan 0.000 0.451 274 A N 5.840 128.443 122.820 -0.362 0.000 2.488 274 A HA 0.542 4.805 4.320 -0.096 0.000 0.249 274 A C 0.444 177.895 177.584 -0.222 0.000 1.083 274 A CA -0.162 51.513 52.037 -0.603 0.000 0.768 274 A CB -0.028 18.216 19.000 -1.260 0.000 1.017 274 A HN 0.707 nan 8.150 nan 0.000 0.496 275 M N 1.713 121.282 119.600 -0.050 0.000 2.840 275 M HA 0.260 4.682 4.480 -0.096 0.000 0.283 275 M C 1.797 178.177 176.300 0.133 0.000 1.136 275 M CA 0.033 55.258 55.300 -0.124 0.000 0.857 275 M CB 0.703 32.983 32.600 -0.533 0.000 1.644 275 M HN 0.919 nan 8.290 nan 0.000 0.520 276 S N 0.171 115.914 115.700 0.072 0.000 2.402 276 S HA 0.046 4.459 4.470 -0.096 0.000 0.229 276 S C 0.926 175.558 174.600 0.054 0.000 1.021 276 S CA 1.036 59.335 58.200 0.165 0.000 0.974 276 S CB -0.189 63.074 63.200 0.105 0.000 0.800 276 S HN 0.748 nan 8.310 nan 0.000 0.484 277 A N -0.453 122.274 122.820 -0.156 0.000 2.709 277 A HA 0.729 4.991 4.320 -0.096 0.000 0.241 277 A C 0.563 177.484 177.584 -1.104 0.000 0.879 277 A CA -0.065 51.531 52.037 -0.735 0.000 1.120 277 A CB -0.065 18.842 19.000 -0.155 0.000 1.226 277 A HN 1.258 nan 8.150 nan 0.000 0.468 278 G N -0.571 107.708 108.800 -0.868 0.000 2.439 278 G HA2 0.353 4.256 3.960 -0.096 0.000 0.186 278 G HA3 0.353 4.256 3.960 -0.096 0.000 0.186 278 G C -1.322 173.753 174.900 0.292 0.000 1.260 278 G CA 0.093 45.069 45.100 -0.207 0.000 1.020 278 G HN 1.323 nan 8.290 nan 0.000 0.470 279 W N -0.717 120.731 121.300 0.247 0.000 3.075 279 W HA 0.777 5.378 4.660 -0.099 0.000 0.334 279 W C -1.351 175.262 176.519 0.156 0.000 1.243 279 W CA -1.528 55.891 57.345 0.124 0.000 1.170 279 W CB 1.250 30.858 29.460 0.245 0.000 1.452 279 W HN 0.804 nan 8.180 nan 0.000 0.572 280 M N 3.327 122.977 119.600 0.083 0.000 2.383 280 M HA 0.453 4.876 4.480 -0.096 0.000 0.325 280 M C -1.177 175.225 176.300 0.171 0.000 1.092 280 M CA -0.517 54.679 55.300 -0.174 0.000 0.961 280 M CB 2.100 34.538 32.600 -0.269 0.000 1.672 280 M HN 0.507 nan 8.290 nan 0.000 0.438 281 W N 3.761 125.053 121.300 -0.013 0.000 2.381 281 W HA 0.718 5.339 4.660 -0.064 0.000 0.329 281 W C -1.654 174.915 176.519 0.085 0.000 1.157 281 W CA -0.641 56.833 57.345 0.216 0.000 1.240 281 W CB 0.435 30.034 29.460 0.230 0.000 1.199 281 W HN 0.532 nan 8.180 nan 0.000 0.579 282 T N 5.325 120.109 114.554 0.384 0.000 2.833 282 T HA 0.449 4.741 4.350 -0.096 0.000 0.297 282 T C -0.569 174.250 174.700 0.199 0.000 1.015 282 T CA -0.452 61.784 62.100 0.228 0.000 0.963 282 T CB 0.357 69.270 68.868 0.074 0.000 0.955 282 T HN 0.389 nan 8.240 nan 0.000 0.449 283 I N 5.773 126.468 120.570 0.207 0.000 2.359 283 I HA 0.294 4.407 4.170 -0.096 0.000 0.284 283 I C -2.402 173.602 176.117 -0.189 0.000 1.018 283 I CA -2.606 58.644 61.300 -0.082 0.000 1.173 283 I CB 1.808 39.807 38.000 -0.002 0.000 1.326 283 I HN 0.253 nan 8.210 nan 0.000 0.462 284 P HA 0.290 nan 4.420 nan 0.000 0.281 284 P C -0.572 176.695 177.300 -0.055 0.000 1.286 284 P CA 0.033 63.011 63.100 -0.203 0.000 0.772 284 P CB 0.642 32.220 31.700 -0.203 0.000 0.862 285 L N 2.630 123.881 121.223 0.048 0.000 2.397 285 L HA 0.428 4.710 4.340 -0.096 0.000 0.266 285 L C 1.660 178.644 176.870 0.188 0.000 1.040 285 L CA -0.859 54.072 54.840 0.153 0.000 0.800 285 L CB 0.403 42.556 42.059 0.156 0.000 1.324 285 L HN 0.249 nan 8.230 nan 0.000 0.469 286 F N 0.223 120.228 119.950 0.091 0.000 2.171 286 F HA -0.129 4.342 4.527 -0.093 0.000 0.300 286 F C 1.818 177.706 175.800 0.146 0.000 1.090 286 F CA 1.560 59.628 58.000 0.113 0.000 1.293 286 F CB 0.328 39.367 39.000 0.065 0.000 1.013 286 F HN 0.253 nan 8.300 nan 0.000 0.486 287 K N 0.729 121.132 120.400 0.004 0.000 2.501 287 K HA 0.197 4.460 4.320 -0.096 0.000 0.204 287 K C -0.710 175.863 176.600 -0.045 0.000 1.067 287 K CA -0.020 56.204 56.287 -0.104 0.000 1.060 287 K CB 0.613 33.093 32.500 -0.034 0.000 0.873 287 K HN 0.428 nan 8.250 nan 0.000 0.540 288 R N -0.868 119.629 120.500 -0.005 0.000 2.712 288 R HA 0.396 4.678 4.340 -0.096 0.000 0.272 288 R C -1.684 174.622 176.300 0.010 0.000 1.032 288 R CA -0.803 55.298 56.100 0.001 0.000 0.874 288 R CB 0.797 31.114 30.300 0.030 0.000 1.256 288 R HN -0.295 nan 8.270 nan 0.000 0.468 289 D N 0.438 120.839 120.400 0.002 0.000 2.181 289 D HA 0.375 4.958 4.640 -0.096 0.000 0.248 289 D C -0.293 176.042 176.300 0.058 0.000 1.020 289 D CA -0.206 53.801 54.000 0.012 0.000 0.891 289 D CB 2.002 42.792 40.800 -0.017 0.000 1.187 289 D HN 0.674 nan 8.370 nan 0.000 0.443 290 G N 1.376 110.249 108.800 0.122 0.000 2.332 290 G HA2 0.352 4.254 3.960 -0.096 0.000 0.310 290 G HA3 0.352 4.254 3.960 -0.096 0.000 0.310 290 G C -0.196 174.860 174.900 0.259 0.000 1.123 290 G CA -0.531 44.705 45.100 0.226 0.000 0.873 290 G HN 0.294 nan 8.290 nan 0.000 0.460 291 N N 0.436 119.158 118.700 0.038 0.000 2.258 291 N HA 0.656 5.338 4.740 -0.096 0.000 0.299 291 N C -0.464 174.557 175.510 -0.815 0.000 1.047 291 N CA -0.354 52.499 53.050 -0.328 0.000 0.814 291 N CB 2.522 40.873 38.487 -0.226 0.000 1.413 291 N HN 0.703 nan 8.380 nan 0.000 0.478 292 G N 0.888 108.605 108.800 -1.804 0.000 2.740 292 G HA2 0.286 4.188 3.960 -0.096 0.000 0.296 292 G HA3 0.286 4.188 3.960 -0.096 0.000 0.296 292 G C -1.932 172.225 174.900 -1.238 0.000 1.439 292 G CA -0.284 43.644 45.100 -1.953 0.000 1.066 292 G HN 0.336 nan 8.290 nan 0.000 0.527 293 Y N 3.365 123.213 120.300 -0.754 0.000 2.404 293 Y HA 0.530 5.044 4.550 -0.059 0.000 0.344 293 Y C -0.321 175.416 175.900 -0.272 0.000 0.970 293 Y CA -1.420 56.401 58.100 -0.466 0.000 1.180 293 Y CB 1.276 39.553 38.460 -0.304 0.000 1.138 293 Y HN 0.265 nan 8.280 nan 0.000 0.510 294 V N 9.658 129.498 119.914 -0.123 0.000 2.383 294 V HA 0.302 4.364 4.120 -0.096 0.000 0.275 294 V C -0.657 175.436 176.094 -0.002 0.000 1.036 294 V CA -0.337 61.888 62.300 -0.125 0.000 0.889 294 V CB -0.007 31.625 31.823 -0.319 0.000 0.985 294 V HN 0.688 nan 8.190 nan 0.000 0.459 295 Y N 2.120 122.293 120.300 -0.211 0.000 2.689 295 Y HA 0.776 5.271 4.550 -0.091 0.000 0.333 295 Y C -0.324 175.540 175.900 -0.060 0.000 1.190 295 Y CA -1.241 56.705 58.100 -0.257 0.000 1.063 295 Y CB 1.779 39.841 38.460 -0.664 0.000 1.294 295 Y HN 0.381 nan 8.280 nan 0.000 0.466 296 S N 0.712 116.500 115.700 0.146 0.000 2.437 296 S HA 0.214 4.626 4.470 -0.096 0.000 0.305 296 S C 0.028 174.794 174.600 0.276 0.000 1.109 296 S CA -0.320 57.992 58.200 0.187 0.000 1.099 296 S CB 0.447 63.908 63.200 0.435 0.000 1.004 296 S HN 0.794 nan 8.310 nan 0.000 0.475 297 D N 3.558 124.021 120.400 0.106 0.000 2.363 297 D HA -0.062 4.521 4.640 -0.096 0.000 0.226 297 D C 0.966 177.316 176.300 0.083 0.000 1.020 297 D CA 0.548 54.648 54.000 0.166 0.000 0.892 297 D CB -0.135 40.716 40.800 0.086 0.000 0.900 297 D HN 0.771 nan 8.370 nan 0.000 0.531 298 E N -0.946 119.283 120.200 0.048 0.000 2.274 298 E HA -0.053 4.239 4.350 -0.096 0.000 0.194 298 E C 0.707 177.091 176.600 -0.360 0.000 0.996 298 E CA 0.634 56.928 56.400 -0.177 0.000 0.840 298 E CB -0.119 29.410 29.700 -0.284 0.000 0.772 298 E HN 0.396 nan 8.360 nan 0.000 0.491 299 F N -0.404 119.601 119.950 0.092 0.000 2.712 299 F HA 0.349 4.819 4.527 -0.096 0.000 0.297 299 F C 0.726 176.560 175.800 0.057 0.000 1.114 299 F CA -0.066 57.991 58.000 0.096 0.000 1.305 299 F CB 1.192 40.304 39.000 0.185 0.000 1.086 299 F HN -0.161 nan 8.300 nan 0.000 0.599 300 I N -0.283 120.404 120.570 0.194 0.000 2.775 300 I HA 0.283 4.396 4.170 -0.096 0.000 0.295 300 I C -0.418 175.709 176.117 0.016 0.000 1.287 300 I CA -0.772 60.559 61.300 0.052 0.000 1.029 300 I CB 1.632 39.602 38.000 -0.050 0.000 1.282 300 I HN -0.057 nan 8.210 nan 0.000 0.426 301 S N 5.942 121.618 115.700 -0.039 0.000 2.617 301 S HA 0.497 4.909 4.470 -0.096 0.000 0.269 301 S C -2.147 172.383 174.600 -0.115 0.000 1.292 301 S CA -0.873 57.310 58.200 -0.027 0.000 1.010 301 S CB 1.319 64.499 63.200 -0.032 0.000 0.944 301 S HN 0.501 nan 8.310 nan 0.000 0.536 302 P HA -0.052 nan 4.420 nan 0.000 0.216 302 P C 1.001 178.263 177.300 -0.064 0.000 1.150 302 P CA 1.198 64.282 63.100 -0.027 0.000 0.837 302 P CB -0.004 31.689 31.700 -0.011 0.000 0.786 303 E N -0.064 120.089 120.200 -0.079 0.000 2.077 303 E HA -0.181 4.112 4.350 -0.096 0.000 0.193 303 E C 1.956 178.524 176.600 -0.053 0.000 0.989 303 E CA 1.239 57.609 56.400 -0.050 0.000 0.800 303 E CB -0.770 28.899 29.700 -0.051 0.000 0.746 303 E HN 0.419 nan 8.360 nan 0.000 0.452 304 E N 0.288 120.437 120.200 -0.085 0.000 2.110 304 E HA -0.155 4.138 4.350 -0.096 0.000 0.193 304 E C 2.051 178.578 176.600 -0.121 0.000 0.988 304 E CA 0.917 57.267 56.400 -0.083 0.000 0.804 304 E CB -0.171 29.483 29.700 -0.075 0.000 0.745 304 E HN 0.274 nan 8.360 nan 0.000 0.458 305 A N 1.539 124.184 122.820 -0.291 0.000 1.877 305 A HA -0.273 3.989 4.320 -0.096 0.000 0.216 305 A C 2.093 179.594 177.584 -0.137 0.000 1.186 305 A CA 1.687 53.448 52.037 -0.460 0.000 0.620 305 A CB -0.505 17.686 19.000 -1.349 0.000 0.822 305 A HN 0.253 nan 8.150 nan 0.000 0.443 306 E N -0.408 119.743 120.200 -0.081 0.000 2.085 306 E HA -0.233 4.059 4.350 -0.096 0.000 0.194 306 E C 2.306 178.895 176.600 -0.018 0.000 0.994 306 E CA 1.174 57.562 56.400 -0.020 0.000 0.801 306 E CB -0.123 29.625 29.700 0.081 0.000 0.743 306 E HN 0.558 nan 8.360 nan 0.000 0.453 307 R N 0.213 120.703 120.500 -0.016 0.000 2.091 307 R HA -0.177 4.106 4.340 -0.096 0.000 0.238 307 R C 2.453 178.740 176.300 -0.022 0.000 1.136 307 R CA 1.660 57.749 56.100 -0.018 0.000 0.959 307 R CB -0.228 30.062 30.300 -0.017 0.000 0.856 307 R HN 0.316 nan 8.270 nan 0.000 0.437 308 E N 0.556 120.753 120.200 -0.005 0.000 2.072 308 E HA -0.189 4.103 4.350 -0.096 0.000 0.191 308 E C 1.972 178.522 176.600 -0.083 0.000 0.985 308 E CA 0.731 57.117 56.400 -0.024 0.000 0.801 308 E CB 0.032 29.756 29.700 0.040 0.000 0.750 308 E HN 0.099 nan 8.360 nan 0.000 0.452 309 L N 1.415 122.611 121.223 -0.046 0.000 1.989 309 L HA -0.180 4.103 4.340 -0.096 0.000 0.211 309 L C 2.314 179.120 176.870 -0.107 0.000 1.071 309 L CA 1.807 56.580 54.840 -0.111 0.000 0.749 309 L CB -0.384 41.631 42.059 -0.073 0.000 0.890 309 L HN 0.001 nan 8.230 nan 0.000 0.431 310 R N -0.882 119.574 120.500 -0.074 0.000 2.083 310 R HA -0.129 4.154 4.340 -0.096 0.000 0.237 310 R C 2.254 178.517 176.300 -0.062 0.000 1.137 310 R CA 1.655 57.717 56.100 -0.064 0.000 0.951 310 R CB -0.605 29.669 30.300 -0.044 0.000 0.851 310 R HN 0.411 nan 8.270 nan 0.000 0.434 311 S N -0.127 115.538 115.700 -0.058 0.000 2.400 311 S HA -0.132 4.280 4.470 -0.096 0.000 0.232 311 S C 1.837 176.397 174.600 -0.068 0.000 1.025 311 S CA 1.786 59.953 58.200 -0.055 0.000 0.993 311 S CB -0.183 62.988 63.200 -0.049 0.000 0.808 311 S HN 0.421 nan 8.310 nan 0.000 0.478 312 T N 1.191 115.690 114.554 -0.092 0.000 2.851 312 T HA 0.011 4.304 4.350 -0.096 0.000 0.262 312 T C 1.929 176.573 174.700 -0.092 0.000 1.043 312 T CA 1.427 63.465 62.100 -0.104 0.000 1.140 312 T CB -0.078 68.700 68.868 -0.151 0.000 0.872 312 T HN 0.472 nan 8.240 nan 0.000 0.446 313 V N -2.546 117.311 119.914 -0.095 0.000 3.612 313 V HA 0.824 4.886 4.120 -0.096 0.000 0.268 313 V C 0.658 176.711 176.094 -0.069 0.000 1.365 313 V CA 0.200 62.448 62.300 -0.086 0.000 1.044 313 V CB 0.211 31.971 31.823 -0.105 0.000 0.820 313 V HN 0.297 nan 8.190 nan 0.000 0.444 314 A N 1.332 124.114 122.820 -0.063 0.000 3.426 314 A HA 0.616 4.878 4.320 -0.096 0.000 0.222 314 A C -2.962 174.597 177.584 -0.042 0.000 1.090 314 A CA -0.647 51.360 52.037 -0.050 0.000 1.026 314 A CB -0.028 18.944 19.000 -0.048 0.000 1.342 314 A HN 0.365 nan 8.150 nan 0.000 0.695 315 P HA 0.319 nan 4.420 nan 0.000 0.268 315 P C 1.010 178.294 177.300 -0.027 0.000 1.205 315 P CA 1.808 64.888 63.100 -0.033 0.000 0.771 315 P CB 0.837 32.517 31.700 -0.033 0.000 0.858 316 G N 2.556 111.343 108.800 -0.022 0.000 2.249 316 G HA2 -0.244 3.658 3.960 -0.096 0.000 0.273 316 G HA3 -0.244 3.658 3.960 -0.096 0.000 0.273 316 G C 0.292 175.182 174.900 -0.017 0.000 1.036 316 G CA -0.204 44.885 45.100 -0.018 0.000 0.824 316 G HN 0.564 nan 8.290 nan 0.000 0.504 317 R N 0.312 120.801 120.500 -0.019 0.000 3.026 317 R HA 0.216 4.498 4.340 -0.096 0.000 0.317 317 R C 0.365 176.657 176.300 -0.012 0.000 1.278 317 R CA -0.545 55.545 56.100 -0.017 0.000 1.407 317 R CB 0.288 30.576 30.300 -0.021 0.000 1.368 317 R HN 0.265 nan 8.270 nan 0.000 0.612 318 D N 0.979 121.374 120.400 -0.009 0.000 2.350 318 D HA -0.138 4.445 4.640 -0.096 0.000 0.216 318 D C 1.182 177.482 176.300 0.000 0.000 0.968 318 D CA 0.837 54.835 54.000 -0.004 0.000 0.894 318 D CB 0.318 41.117 40.800 -0.002 0.000 0.909 318 D HN 0.440 nan 8.370 nan 0.000 0.520 319 D N 0.471 120.870 120.400 -0.001 0.000 2.263 319 D HA -0.161 4.421 4.640 -0.096 0.000 0.208 319 D C 0.791 177.093 176.300 0.003 0.000 0.971 319 D CA 0.349 54.350 54.000 0.002 0.000 0.867 319 D CB -0.086 40.714 40.800 -0.000 0.000 0.929 319 D HN 0.237 nan 8.370 nan 0.000 0.492 320 L N 1.068 122.291 121.223 -0.001 0.000 2.276 320 L HA 0.281 4.563 4.340 -0.096 0.000 0.286 320 L C 0.492 177.363 176.870 0.002 0.000 1.061 320 L CA -0.558 54.282 54.840 -0.000 0.000 0.807 320 L CB 1.509 43.563 42.059 -0.009 0.000 1.177 320 L HN -0.105 nan 8.230 nan 0.000 0.429 321 E N 2.247 122.453 120.200 0.010 0.000 2.259 321 E HA 0.433 4.726 4.350 -0.096 0.000 0.281 321 E C -0.516 176.086 176.600 0.004 0.000 1.027 321 E CA -0.575 55.834 56.400 0.016 0.000 0.838 321 E CB 1.366 31.082 29.700 0.027 0.000 1.066 321 E HN 0.684 nan 8.360 nan 0.000 0.401 322 A N 4.879 127.697 122.820 -0.003 0.000 2.363 322 A HA 0.230 4.492 4.320 -0.096 0.000 0.270 322 A C -0.157 177.401 177.584 -0.044 0.000 1.121 322 A CA -0.535 51.466 52.037 -0.060 0.000 0.800 322 A CB 0.589 19.530 19.000 -0.098 0.000 1.052 322 A HN 0.677 nan 8.150 nan 0.000 0.493 323 N N 1.122 119.771 118.700 -0.085 0.000 2.372 323 N HA 0.249 4.931 4.740 -0.096 0.000 0.291 323 N C -1.307 174.138 175.510 -0.108 0.000 1.024 323 N CA -0.281 52.757 53.050 -0.021 0.000 0.873 323 N CB 0.779 39.292 38.487 0.043 0.000 1.206 323 N HN 0.717 nan 8.380 nan 0.000 0.486 324 H N 3.120 122.227 119.070 0.062 0.000 2.457 324 H HA 0.450 4.950 4.556 -0.092 0.000 0.335 324 H C -0.322 175.051 175.328 0.074 0.000 1.115 324 H CA -0.375 55.715 56.048 0.070 0.000 1.219 324 H CB 2.075 31.871 29.762 0.056 0.000 1.471 324 H HN 0.396 nan 8.280 nan 0.000 0.491 325 I N 2.590 123.273 120.570 0.188 0.000 2.619 325 I HA 0.124 4.237 4.170 -0.096 0.000 0.292 325 I C -0.337 175.824 176.117 0.073 0.000 1.100 325 I CA -0.541 60.840 61.300 0.136 0.000 1.043 325 I CB 2.374 40.471 38.000 0.161 0.000 1.239 325 I HN 0.540 nan 8.210 nan 0.000 0.420 326 Q N 5.960 125.776 119.800 0.026 0.000 2.241 326 Q HA 0.606 4.888 4.340 -0.096 0.000 0.254 326 Q C -0.874 175.008 176.000 -0.195 0.000 0.917 326 Q CA -0.493 55.262 55.803 -0.080 0.000 0.919 326 Q CB 2.398 31.080 28.738 -0.094 0.000 1.237 326 Q HN 0.474 nan 8.270 nan 0.000 0.434 327 M N 1.767 121.192 119.600 -0.290 0.000 2.404 327 M HA 0.447 4.870 4.480 -0.096 0.000 0.338 327 M C -0.323 175.520 176.300 -0.763 0.000 1.150 327 M CA -0.559 54.388 55.300 -0.588 0.000 1.016 327 M CB 1.886 34.473 32.600 -0.022 0.000 1.672 327 M HN 0.334 nan 8.290 nan 0.000 0.448 328 R N 3.170 122.803 120.500 -1.445 0.000 2.233 328 R HA 0.435 4.718 4.340 -0.096 0.000 0.334 328 R C -1.287 174.946 176.300 -0.113 0.000 1.037 328 R CA -0.387 55.278 56.100 -0.725 0.000 0.920 328 R CB 0.496 30.295 30.300 -0.835 0.000 1.137 328 R HN 0.643 nan 8.270 nan 0.000 0.492 329 I N 4.401 125.024 120.570 0.089 0.000 2.315 329 I HA 0.496 4.608 4.170 -0.096 0.000 0.291 329 I C 0.934 177.097 176.117 0.076 0.000 1.006 329 I CA 0.250 61.687 61.300 0.229 0.000 1.265 329 I CB 0.761 38.883 38.000 0.203 0.000 1.387 329 I HN 0.959 nan 8.210 nan 0.000 0.475 330 G N 7.289 115.922 108.800 -0.278 0.000 2.291 330 G HA2 0.171 4.074 3.960 -0.096 0.000 0.249 330 G HA3 0.171 4.074 3.960 -0.096 0.000 0.249 330 G C -1.154 173.103 174.900 -1.070 0.000 1.340 330 G CA -0.852 43.336 45.100 -1.520 0.000 1.017 330 G HN 0.782 nan 8.290 nan 0.000 0.470 331 R N -0.567 119.109 120.500 -1.374 0.000 2.707 331 R HA 0.602 4.885 4.340 -0.096 0.000 0.272 331 R C -1.016 174.754 176.300 -0.883 0.000 1.011 331 R CA -1.037 54.605 56.100 -0.764 0.000 0.893 331 R CB 0.979 31.119 30.300 -0.267 0.000 1.233 331 R HN 0.438 nan 8.270 nan 0.000 0.464 332 N N 1.372 119.883 118.700 -0.315 0.000 2.454 332 N HA -0.072 4.610 4.740 -0.096 0.000 0.254 332 N C 0.511 175.953 175.510 -0.113 0.000 1.228 332 N CA 0.234 53.221 53.050 -0.105 0.000 0.900 332 N CB 1.364 39.904 38.487 0.088 0.000 1.089 332 N HN 0.732 nan 8.380 nan 0.000 0.449 333 E N 2.380 122.535 120.200 -0.076 0.000 2.085 333 E HA -0.098 4.195 4.350 -0.096 0.000 0.194 333 E C -0.199 176.385 176.600 -0.026 0.000 0.994 333 E CA 1.597 57.968 56.400 -0.048 0.000 0.801 333 E CB 0.324 30.010 29.700 -0.024 0.000 0.743 333 E HN 0.448 nan 8.360 nan 0.000 0.453 334 R N -0.904 119.599 120.500 0.004 0.000 2.513 334 R HA 0.241 4.523 4.340 -0.096 0.000 0.301 334 R C 0.524 176.872 176.300 0.079 0.000 0.968 334 R CA 0.450 56.572 56.100 0.037 0.000 0.872 334 R CB 1.567 31.891 30.300 0.040 0.000 1.177 334 R HN 0.123 nan 8.270 nan 0.000 0.444 335 T N -1.315 113.311 114.554 0.121 0.000 3.088 335 T HA 0.025 4.317 4.350 -0.096 0.000 0.259 335 T C 0.297 175.136 174.700 0.233 0.000 1.122 335 T CA 0.210 62.403 62.100 0.156 0.000 1.095 335 T CB 0.310 69.267 68.868 0.148 0.000 0.930 335 T HN 0.467 nan 8.240 nan 0.000 0.508 336 W N 1.960 123.295 121.300 0.059 0.000 2.424 336 W HA 0.679 5.281 4.660 -0.096 0.000 0.318 336 W C -1.977 174.499 176.519 -0.071 0.000 1.016 336 W CA -2.883 54.451 57.345 -0.018 0.000 1.268 336 W CB 0.536 29.976 29.460 -0.033 0.000 1.297 336 W HN 0.073 nan 8.180 nan 0.000 0.428 337 I N 7.986 128.735 120.570 0.298 0.000 2.466 337 I HA 0.203 4.315 4.170 -0.096 0.000 0.289 337 I C 0.428 176.470 176.117 -0.125 0.000 1.026 337 I CA -0.576 60.755 61.300 0.050 0.000 1.078 337 I CB 1.639 39.625 38.000 -0.024 0.000 1.249 337 I HN 0.440 nan 8.210 nan 0.000 0.429 338 N N 3.934 122.407 118.700 -0.378 0.000 1.241 338 N HA -0.305 4.377 4.740 -0.096 0.000 0.135 338 N C 0.461 175.341 175.510 -1.050 0.000 0.723 338 N CA 2.086 54.442 53.050 -1.156 0.000 0.950 338 N CB -0.795 36.815 38.487 -1.461 0.000 1.215 338 N HN 0.909 nan 8.380 nan 0.000 0.520 339 N N 0.771 118.763 118.700 -1.180 0.000 2.376 339 N HA 0.235 4.917 4.740 -0.096 0.000 0.249 339 N C -0.566 174.837 175.510 -0.178 0.000 1.140 339 N CA -0.214 52.447 53.050 -0.649 0.000 0.870 339 N CB -0.380 37.719 38.487 -0.647 0.000 1.124 339 N HN 0.567 nan 8.380 nan 0.000 0.505 340 C N 0.622 119.790 119.300 -0.219 0.000 2.396 340 C HA 0.730 5.132 4.460 -0.096 0.000 0.321 340 C C -0.876 173.910 174.990 -0.340 0.000 1.233 340 C CA -0.366 58.535 59.018 -0.194 0.000 1.440 340 C CB 0.430 28.081 27.740 -0.148 0.000 2.110 340 C HN 0.169 nan 8.230 nan 0.000 0.473 341 V N 5.717 125.374 119.914 -0.429 0.000 2.487 341 V HA 0.755 4.817 4.120 -0.096 0.000 0.298 341 V C 0.532 176.507 176.094 -0.199 0.000 1.028 341 V CA -0.312 61.718 62.300 -0.449 0.000 0.860 341 V CB 1.477 32.802 31.823 -0.830 0.000 0.991 341 V HN 1.151 nan 8.190 nan 0.000 0.427 342 A N 4.509 127.285 122.820 -0.074 0.000 2.309 342 A HA 0.820 5.083 4.320 -0.096 0.000 0.298 342 A C -0.596 176.982 177.584 -0.009 0.000 1.165 342 A CA -0.414 51.606 52.037 -0.028 0.000 0.821 342 A CB 1.028 20.041 19.000 0.023 0.000 1.102 342 A HN 0.735 nan 8.150 nan 0.000 0.500 343 V N 2.430 122.327 119.914 -0.029 0.000 2.531 343 V HA 0.745 4.807 4.120 -0.096 0.000 0.301 343 V C 0.792 176.876 176.094 -0.018 0.000 1.034 343 V CA 0.695 62.979 62.300 -0.027 0.000 0.865 343 V CB 0.710 32.494 31.823 -0.065 0.000 0.995 343 V HN 2.145 nan 8.190 nan 0.000 0.424 344 G N 3.708 112.521 108.800 0.021 0.000 2.484 344 G HA2 -0.153 3.749 3.960 -0.096 0.000 0.225 344 G HA3 -0.153 3.749 3.960 -0.096 0.000 0.225 344 G C 0.133 175.089 174.900 0.094 0.000 1.250 344 G CA -0.010 45.118 45.100 0.046 0.000 0.926 344 G HN 0.644 nan 8.290 nan 0.000 0.581 345 L N 2.128 123.357 121.223 0.010 0.000 2.191 345 L HA 0.038 4.320 4.340 -0.096 0.000 0.212 345 L C 3.275 180.188 176.870 0.072 0.000 1.103 345 L CA 2.926 57.755 54.840 -0.018 0.000 0.769 345 L CB -0.784 40.935 42.059 -0.567 0.000 0.908 345 L HN 0.943 nan 8.230 nan 0.000 0.438 346 S N -1.260 114.453 115.700 0.021 0.000 2.402 346 S HA -0.119 4.294 4.470 -0.096 0.000 0.229 346 S C 2.067 176.751 174.600 0.141 0.000 1.021 346 S CA 0.818 59.052 58.200 0.057 0.000 0.974 346 S CB -0.459 62.744 63.200 0.005 0.000 0.800 346 S HN 0.342 nan 8.310 nan 0.000 0.484 347 A N 1.667 124.570 122.820 0.140 0.000 1.887 347 A HA 0.750 5.012 4.320 -0.096 0.000 0.212 347 A C 1.089 178.792 177.584 0.199 0.000 1.198 347 A CA 0.847 52.966 52.037 0.138 0.000 0.628 347 A CB -0.438 18.605 19.000 0.072 0.000 0.847 347 A HN 1.267 nan 8.150 nan 0.000 0.449 348 A N -2.596 120.380 122.820 0.259 0.000 2.586 348 A HA 0.607 4.870 4.320 -0.096 0.000 0.291 348 A C -1.621 176.282 177.584 0.531 0.000 1.062 348 A CA -0.260 51.955 52.037 0.297 0.000 0.666 348 A CB 0.434 19.456 19.000 0.036 0.000 1.281 348 A HN 1.166 nan 8.150 nan 0.000 0.421 349 F N 0.125 120.291 119.950 0.359 0.000 2.654 349 F HA 0.576 5.043 4.527 -0.099 0.000 0.314 349 F C -1.003 175.038 175.800 0.402 0.000 1.116 349 F CA -0.227 58.039 58.000 0.443 0.000 1.017 349 F CB 1.809 41.122 39.000 0.521 0.000 1.285 349 F HN 1.132 nan 8.300 nan 0.000 0.448 350 V N 1.676 121.460 119.914 -0.218 0.000 3.001 350 V HA 0.617 4.679 4.120 -0.096 0.000 0.314 350 V C -0.536 175.202 176.094 -0.594 0.000 1.099 350 V CA -0.995 61.218 62.300 -0.145 0.000 0.989 350 V CB 1.645 33.587 31.823 0.198 0.000 1.040 350 V HN 0.902 nan 8.190 nan 0.000 0.434 351 E N 2.823 122.976 120.200 -0.080 0.000 2.481 351 E HA 0.106 4.399 4.350 -0.096 0.000 0.263 351 E C -2.032 174.661 176.600 0.155 0.000 0.992 351 E CA -1.026 55.467 56.400 0.155 0.000 0.938 351 E CB 0.318 30.314 29.700 0.494 0.000 0.933 351 E HN 0.626 nan 8.360 nan 0.000 0.453 352 P HA -0.002 nan 4.420 nan 0.000 0.258 352 P C 0.671 178.180 177.300 0.349 0.000 1.559 352 P CA -0.140 63.099 63.100 0.231 0.000 0.855 352 P CB -0.028 31.765 31.700 0.155 0.000 1.594 353 L N 0.386 121.742 121.223 0.221 0.000 2.191 353 L HA -0.042 4.241 4.340 -0.096 0.000 0.212 353 L C 1.284 178.054 176.870 -0.167 0.000 1.103 353 L CA 1.994 56.647 54.840 -0.312 0.000 0.769 353 L CB -0.536 41.214 42.059 -0.514 0.000 0.908 353 L HN -0.073 nan 8.230 nan 0.000 0.438 354 E N -0.907 119.292 120.200 -0.002 0.000 2.887 354 E HA 0.228 4.520 4.350 -0.096 0.000 0.206 354 E C 0.121 176.948 176.600 0.380 0.000 0.983 354 E CA 0.308 56.830 56.400 0.203 0.000 1.141 354 E CB 0.311 30.114 29.700 0.171 0.000 1.061 354 E HN 0.284 nan 8.360 nan 0.000 0.468 355 S N 0.166 116.006 115.700 0.234 0.000 3.682 355 S HA -0.168 4.244 4.470 -0.096 0.000 0.354 355 S C 1.205 175.877 174.600 0.119 0.000 1.034 355 S CA 1.196 59.520 58.200 0.207 0.000 1.084 355 S CB -1.970 61.412 63.200 0.303 0.000 0.903 355 S HN 0.526 nan 8.310 nan 0.000 0.470 356 T N -2.631 111.896 114.554 -0.046 0.000 3.081 356 T HA 0.308 4.601 4.350 -0.096 0.000 0.250 356 T C 1.925 176.247 174.700 -0.630 0.000 1.100 356 T CA 0.721 62.593 62.100 -0.380 0.000 1.038 356 T CB 0.075 68.650 68.868 -0.488 0.000 0.962 356 T HN 0.570 nan 8.240 nan 0.000 0.516 357 G N 2.474 111.071 108.800 -0.339 0.000 2.433 357 G HA2 -0.078 3.825 3.960 -0.096 0.000 0.216 357 G HA3 -0.078 3.825 3.960 -0.096 0.000 0.216 357 G C 1.421 176.248 174.900 -0.122 0.000 1.186 357 G CA 0.665 45.658 45.100 -0.178 0.000 0.779 357 G HN 0.460 nan 8.290 nan 0.000 0.543 358 I N 0.346 120.843 120.570 -0.121 0.000 2.315 358 I HA -0.061 4.052 4.170 -0.096 0.000 0.248 358 I C 2.468 178.483 176.117 -0.170 0.000 1.117 358 I CA 0.779 62.015 61.300 -0.107 0.000 1.404 358 I CB -0.984 37.007 38.000 -0.015 0.000 1.071 358 I HN 0.213 nan 8.210 nan 0.000 0.419 359 F N 2.129 121.801 119.950 -0.464 0.000 2.126 359 F HA -0.273 4.196 4.527 -0.097 0.000 0.299 359 F C 2.255 178.013 175.800 -0.070 0.000 1.096 359 F CA 1.636 59.344 58.000 -0.487 0.000 1.255 359 F CB -0.562 37.693 39.000 -1.240 0.000 0.997 359 F HN -0.104 nan 8.300 nan 0.000 0.479 360 F N 0.666 120.360 119.950 -0.427 0.000 2.186 360 F HA -0.124 4.346 4.527 -0.094 0.000 0.299 360 F C 2.408 178.040 175.800 -0.279 0.000 1.090 360 F CA 0.860 58.622 58.000 -0.396 0.000 1.307 360 F CB -1.359 37.575 39.000 -0.109 0.000 1.019 360 F HN 0.050 nan 8.300 nan 0.000 0.489 361 I N -0.353 120.195 120.570 -0.036 0.000 2.163 361 I HA -0.326 3.786 4.170 -0.096 0.000 0.240 361 I C 2.631 178.621 176.117 -0.213 0.000 1.081 361 I CA 1.466 62.697 61.300 -0.115 0.000 1.353 361 I CB -0.563 37.351 38.000 -0.144 0.000 1.054 361 I HN 0.150 nan 8.210 nan 0.000 0.407 362 Q N 0.285 119.920 119.800 -0.276 0.000 2.061 362 Q HA -0.322 3.960 4.340 -0.096 0.000 0.204 362 Q C 2.333 178.228 176.000 -0.175 0.000 0.984 362 Q CA 2.083 57.703 55.803 -0.305 0.000 0.846 362 Q CB -0.172 28.422 28.738 -0.239 0.000 0.902 362 Q HN 0.498 nan 8.270 nan 0.000 0.421 363 H N -0.179 118.717 119.070 -0.290 0.000 2.353 363 H HA -0.028 4.471 4.556 -0.096 0.000 0.300 363 H C 1.733 176.975 175.328 -0.144 0.000 1.090 363 H CA 1.920 57.839 56.048 -0.215 0.000 1.327 363 H CB -0.309 29.248 29.762 -0.341 0.000 1.383 363 H HN 0.406 nan 8.280 nan 0.000 0.508 364 A N 0.226 122.949 122.820 -0.160 0.000 1.933 364 A HA -0.084 4.178 4.320 -0.096 0.000 0.218 364 A C 2.583 180.159 177.584 -0.014 0.000 1.175 364 A CA 1.548 53.532 52.037 -0.088 0.000 0.628 364 A CB -0.667 18.315 19.000 -0.030 0.000 0.814 364 A HN 0.484 nan 8.150 nan 0.000 0.444 365 I N -0.800 119.685 120.570 -0.142 0.000 2.286 365 I HA -0.192 3.921 4.170 -0.096 0.000 0.245 365 I C 2.465 178.412 176.117 -0.282 0.000 1.104 365 I CA 1.233 62.405 61.300 -0.214 0.000 1.397 365 I CB -0.412 37.384 38.000 -0.340 0.000 1.072 365 I HN 0.393 nan 8.210 nan 0.000 0.417 366 E N 0.450 120.441 120.200 -0.348 0.000 2.077 366 E HA -0.243 4.049 4.350 -0.096 0.000 0.193 366 E C 2.167 178.768 176.600 0.002 0.000 0.989 366 E CA 0.995 57.246 56.400 -0.248 0.000 0.800 366 E CB -0.012 29.605 29.700 -0.139 0.000 0.746 366 E HN 0.424 nan 8.360 nan 0.000 0.452 367 Q N 0.211 120.025 119.800 0.023 0.000 2.245 367 Q HA -0.077 4.206 4.340 -0.096 0.000 0.201 367 Q C 2.231 178.555 176.000 0.539 0.000 0.955 367 Q CA 0.457 56.411 55.803 0.253 0.000 0.870 367 Q CB -0.164 28.556 28.738 -0.029 0.000 0.945 367 Q HN 0.229 nan 8.270 nan 0.000 0.461 368 L N 0.078 121.516 121.223 0.358 0.000 2.017 368 L HA -0.121 4.162 4.340 -0.096 0.000 0.208 368 L C 2.101 179.187 176.870 0.360 0.000 1.073 368 L CA 1.427 56.386 54.840 0.198 0.000 0.745 368 L CB -0.755 41.309 42.059 0.009 0.000 0.894 368 L HN -0.069 nan 8.230 nan 0.000 0.432 369 V N -0.055 120.023 119.914 0.273 0.000 2.295 369 V HA -0.319 3.743 4.120 -0.096 0.000 0.246 369 V C 2.617 178.908 176.094 0.328 0.000 1.049 369 V CA 2.187 64.649 62.300 0.270 0.000 1.024 369 V CB -0.670 31.209 31.823 0.092 0.000 0.648 369 V HN 0.474 nan 8.190 nan 0.000 0.447 370 K N -0.694 119.860 120.400 0.257 0.000 2.103 370 K HA -0.167 4.096 4.320 -0.096 0.000 0.207 370 K C 1.546 178.178 176.600 0.054 0.000 1.048 370 K CA 1.654 58.022 56.287 0.136 0.000 0.930 370 K CB -0.193 32.348 32.500 0.068 0.000 0.716 370 K HN 0.602 nan 8.250 nan 0.000 0.444 371 H N -1.355 117.889 119.070 0.289 0.000 2.507 371 H HA 0.136 4.635 4.556 -0.096 0.000 0.294 371 H C -0.627 174.886 175.328 0.309 0.000 1.064 371 H CA -0.612 55.598 56.048 0.269 0.000 1.138 371 H CB -0.195 29.762 29.762 0.326 0.000 1.515 371 H HN -0.022 nan 8.280 nan 0.000 0.547 372 F N 4.027 124.123 119.950 0.244 0.000 2.607 372 F HA 0.097 4.566 4.527 -0.096 0.000 0.374 372 F C -1.788 174.060 175.800 0.080 0.000 1.104 372 F CA -2.255 55.861 58.000 0.192 0.000 1.296 372 F CB 0.632 39.755 39.000 0.205 0.000 1.085 372 F HN 0.103 nan 8.300 nan 0.000 0.584 373 P HA 0.302 nan 4.420 nan 0.000 0.281 373 P C -0.411 176.593 177.300 -0.492 0.000 1.249 373 P CA -0.400 62.408 63.100 -0.487 0.000 0.810 373 P CB 1.263 32.378 31.700 -0.975 0.000 1.008 374 G N 0.843 109.417 108.800 -0.378 0.000 2.537 374 G HA2 0.194 4.096 3.960 -0.096 0.000 0.297 374 G HA3 0.194 4.096 3.960 -0.096 0.000 0.297 374 G C 0.785 175.419 174.900 -0.444 0.000 1.310 374 G CA -0.518 44.400 45.100 -0.303 0.000 1.027 374 G HN 0.595 nan 8.290 nan 0.000 0.505 375 E N -0.646 119.430 120.200 -0.207 0.000 2.333 375 E HA -0.111 4.181 4.350 -0.096 0.000 0.198 375 E C 1.664 178.319 176.600 0.091 0.000 1.007 375 E CA 0.519 56.885 56.400 -0.057 0.000 0.845 375 E CB 0.025 29.742 29.700 0.028 0.000 0.766 375 E HN 0.232 nan 8.360 nan 0.000 0.507 376 R N -0.146 120.370 120.500 0.028 0.000 2.240 376 R HA -0.034 4.249 4.340 -0.096 0.000 0.203 376 R C -0.175 176.289 176.300 0.272 0.000 1.011 376 R CA 0.368 56.546 56.100 0.130 0.000 1.007 376 R CB -0.852 29.483 30.300 0.059 0.000 0.911 376 R HN 0.310 nan 8.270 nan 0.000 0.468 377 W N 2.451 123.802 121.300 0.084 0.000 6.111 377 W HA -0.206 4.396 4.660 -0.096 0.000 0.409 377 W C -0.258 176.285 176.519 0.039 0.000 1.586 377 W CA 0.133 57.548 57.345 0.117 0.000 1.027 377 W CB -1.932 27.727 29.460 0.332 0.000 2.784 377 W HN 0.068 nan 8.180 nan 0.000 1.485 378 D N 1.641 122.104 120.400 0.106 0.000 2.554 378 D HA -0.054 4.528 4.640 -0.096 0.000 0.251 378 D C -0.231 176.071 176.300 0.003 0.000 1.213 378 D CA -0.631 53.397 54.000 0.046 0.000 0.900 378 D CB 0.939 41.739 40.800 0.001 0.000 1.135 378 D HN 0.074 nan 8.370 nan 0.000 0.522 379 P HA -0.097 nan 4.420 nan 0.000 0.226 379 P C 1.451 178.711 177.300 -0.066 0.000 1.153 379 P CA 0.233 63.311 63.100 -0.038 0.000 0.777 379 P CB 0.410 32.113 31.700 0.005 0.000 0.794 380 V N -0.070 119.825 119.914 -0.032 0.000 2.453 380 V HA -0.166 3.897 4.120 -0.096 0.000 0.247 380 V C 2.549 178.633 176.094 -0.017 0.000 1.048 380 V CA 1.119 63.407 62.300 -0.019 0.000 1.049 380 V CB -1.149 30.676 31.823 0.003 0.000 0.672 380 V HN 0.028 nan 8.190 nan 0.000 0.457 381 L N -0.039 121.171 121.223 -0.022 0.000 2.046 381 L HA -0.101 4.182 4.340 -0.096 0.000 0.208 381 L C 2.166 178.991 176.870 -0.075 0.000 1.077 381 L CA 1.880 56.736 54.840 0.027 0.000 0.747 381 L CB -0.436 41.627 42.059 0.008 0.000 0.896 381 L HN 0.204 nan 8.230 nan 0.000 0.432 382 I N -1.609 118.762 120.570 -0.332 0.000 2.226 382 I HA -0.317 3.795 4.170 -0.096 0.000 0.245 382 I C 2.668 178.613 176.117 -0.286 0.000 1.100 382 I CA 1.471 62.389 61.300 -0.638 0.000 1.374 382 I CB -0.528 36.941 38.000 -0.886 0.000 1.057 382 I HN 0.328 nan 8.210 nan 0.000 0.413 383 S N 0.751 116.349 115.700 -0.171 0.000 2.359 383 S HA -0.247 4.165 4.470 -0.096 0.000 0.224 383 S C 2.237 176.796 174.600 -0.069 0.000 1.035 383 S CA 1.634 59.777 58.200 -0.094 0.000 1.018 383 S CB -0.265 62.897 63.200 -0.063 0.000 0.876 383 S HN 0.479 nan 8.310 nan 0.000 0.448 384 A N 0.029 122.831 122.820 -0.031 0.000 1.908 384 A HA -0.087 4.176 4.320 -0.096 0.000 0.218 384 A C 2.031 179.538 177.584 -0.129 0.000 1.181 384 A CA 1.799 53.835 52.037 -0.002 0.000 0.627 384 A CB -1.278 17.813 19.000 0.151 0.000 0.818 384 A HN 0.782 nan 8.150 nan 0.000 0.445 385 Y N 1.316 121.377 120.300 -0.399 0.000 2.097 385 Y HA -0.261 4.231 4.550 -0.096 0.000 0.282 385 Y C 2.340 178.110 175.900 -0.217 0.000 1.152 385 Y CA 2.262 60.054 58.100 -0.513 0.000 1.136 385 Y CB -0.262 37.998 38.460 -0.334 0.000 0.975 385 Y HN 0.325 nan 8.280 nan 0.000 0.498 386 N N 0.547 119.237 118.700 -0.016 0.000 2.104 386 N HA -0.225 4.457 4.740 -0.096 0.000 0.190 386 N C 1.881 177.276 175.510 -0.191 0.000 1.024 386 N CA 1.708 54.721 53.050 -0.061 0.000 0.853 386 N CB -0.467 38.021 38.487 0.002 0.000 1.008 386 N HN 0.612 nan 8.380 nan 0.000 0.424 387 E N 0.943 121.020 120.200 -0.205 0.000 2.077 387 E HA -0.101 4.191 4.350 -0.096 0.000 0.193 387 E C 2.011 178.399 176.600 -0.354 0.000 0.989 387 E CA 0.871 57.085 56.400 -0.310 0.000 0.800 387 E CB 0.122 29.674 29.700 -0.247 0.000 0.746 387 E HN 0.229 nan 8.360 nan 0.000 0.452 388 R N -0.503 119.869 120.500 -0.214 0.000 2.083 388 R HA -0.143 4.139 4.340 -0.096 0.000 0.237 388 R C 2.406 178.653 176.300 -0.088 0.000 1.137 388 R CA 1.887 57.943 56.100 -0.072 0.000 0.951 388 R CB -0.169 30.061 30.300 -0.117 0.000 0.851 388 R HN 0.299 nan 8.270 nan 0.000 0.434 389 M N -0.294 119.131 119.600 -0.292 0.000 2.175 389 M HA -0.054 4.369 4.480 -0.096 0.000 0.264 389 M C 2.382 178.588 176.300 -0.157 0.000 1.063 389 M CA 1.454 56.593 55.300 -0.267 0.000 1.119 389 M CB -0.968 31.402 32.600 -0.383 0.000 1.377 389 M HN 0.203 nan 8.290 nan 0.000 0.415 390 A N -0.738 121.984 122.820 -0.164 0.000 1.877 390 A HA -0.184 4.078 4.320 -0.096 0.000 0.216 390 A C 1.943 179.528 177.584 0.000 0.000 1.186 390 A CA 1.681 53.648 52.037 -0.115 0.000 0.620 390 A CB -1.192 17.699 19.000 -0.181 0.000 0.822 390 A HN 0.589 nan 8.150 nan 0.000 0.443 391 H N -1.544 117.566 119.070 0.066 0.000 2.389 391 H HA -0.066 4.432 4.556 -0.096 0.000 0.299 391 H C 2.145 177.611 175.328 0.230 0.000 1.081 391 H CA 1.299 57.482 56.048 0.224 0.000 1.345 391 H CB -0.125 29.793 29.762 0.259 0.000 1.393 391 H HN 0.551 nan 8.280 nan 0.000 0.520 392 M N 0.619 120.400 119.600 0.302 0.000 2.082 392 M HA -0.205 4.218 4.480 -0.096 0.000 0.258 392 M C 1.878 178.270 176.300 0.153 0.000 1.071 392 M CA 1.779 57.237 55.300 0.264 0.000 1.103 392 M CB -0.078 32.626 32.600 0.174 0.000 1.307 392 M HN 0.143 nan 8.290 nan 0.000 0.409 393 V N 0.781 120.661 119.914 -0.056 0.000 2.379 393 V HA -0.247 3.815 4.120 -0.096 0.000 0.245 393 V C 1.880 178.017 176.094 0.072 0.000 1.044 393 V CA 2.057 64.326 62.300 -0.051 0.000 1.036 393 V CB -1.084 30.670 31.823 -0.114 0.000 0.664 393 V HN 0.465 nan 8.190 nan 0.000 0.453 394 D N 0.956 121.358 120.400 0.003 0.000 2.144 394 D HA -0.118 4.465 4.640 -0.096 0.000 0.199 394 D C 2.211 178.264 176.300 -0.412 0.000 0.984 394 D CA 1.644 55.565 54.000 -0.132 0.000 0.834 394 D CB -0.582 40.233 40.800 0.025 0.000 0.955 394 D HN 0.468 nan 8.370 nan 0.000 0.465 395 G N 0.428 108.788 108.800 -0.733 0.000 2.408 395 G HA2 -0.181 3.722 3.960 -0.096 0.000 0.217 395 G HA3 -0.181 3.722 3.960 -0.096 0.000 0.217 395 G C 1.833 176.595 174.900 -0.229 0.000 1.150 395 G CA 0.572 44.946 45.100 -1.209 0.000 0.776 395 G HN 0.244 nan 8.290 nan 0.000 0.542 396 V N 0.670 120.677 119.914 0.154 0.000 2.427 396 V HA -0.112 3.951 4.120 -0.096 0.000 0.248 396 V C 2.647 178.841 176.094 0.166 0.000 1.051 396 V CA 2.075 64.603 62.300 0.380 0.000 1.048 396 V CB -0.313 31.907 31.823 0.663 0.000 0.666 396 V HN 0.411 nan 8.190 nan 0.000 0.456 397 K N 0.214 120.644 120.400 0.050 0.000 2.020 397 K HA -0.255 4.007 4.320 -0.096 0.000 0.212 397 K C 2.159 178.706 176.600 -0.088 0.000 1.050 397 K CA 2.108 58.336 56.287 -0.099 0.000 0.929 397 K CB -0.161 32.073 32.500 -0.444 0.000 0.714 397 K HN 0.557 nan 8.250 nan 0.000 0.443 398 E N -0.278 119.880 120.200 -0.070 0.000 2.058 398 E HA -0.213 4.079 4.350 -0.096 0.000 0.194 398 E C 1.964 178.566 176.600 0.004 0.000 0.997 398 E CA 1.257 57.680 56.400 0.039 0.000 0.801 398 E CB -0.282 29.543 29.700 0.207 0.000 0.746 398 E HN 0.301 nan 8.360 nan 0.000 0.450 399 F N 1.843 121.594 119.950 -0.332 0.000 2.126 399 F HA -0.194 4.277 4.527 -0.093 0.000 0.299 399 F C 1.990 177.552 175.800 -0.396 0.000 1.096 399 F CA 1.311 58.854 58.000 -0.760 0.000 1.255 399 F CB -0.359 38.122 39.000 -0.866 0.000 0.997 399 F HN -0.079 nan 8.300 nan 0.000 0.479 400 L N -1.015 119.977 121.223 -0.385 0.000 2.056 400 L HA -0.193 4.090 4.340 -0.096 0.000 0.207 400 L C 2.401 179.177 176.870 -0.157 0.000 1.078 400 L CA 0.946 55.483 54.840 -0.505 0.000 0.749 400 L CB -0.927 40.973 42.059 -0.266 0.000 0.901 400 L HN -0.030 nan 8.230 nan 0.000 0.433 401 V N 0.117 120.023 119.914 -0.014 0.000 2.407 401 V HA -0.285 3.778 4.120 -0.096 0.000 0.248 401 V C 2.432 178.575 176.094 0.082 0.000 1.055 401 V CA 1.448 63.812 62.300 0.107 0.000 1.049 401 V CB -0.413 31.445 31.823 0.059 0.000 0.662 401 V HN 0.327 nan 8.190 nan 0.000 0.455 402 L N -0.135 121.074 121.223 -0.023 0.000 2.127 402 L HA -0.199 4.084 4.340 -0.096 0.000 0.211 402 L C 2.283 179.055 176.870 -0.163 0.000 1.089 402 L CA 2.045 56.840 54.840 -0.074 0.000 0.757 402 L CB -0.872 41.107 42.059 -0.133 0.000 0.899 402 L HN 0.409 nan 8.230 nan 0.000 0.434 403 H N -1.992 116.799 119.070 -0.465 0.000 2.321 403 H HA -0.151 4.347 4.556 -0.098 0.000 0.300 403 H C 1.905 177.050 175.328 -0.305 0.000 1.087 403 H CA 2.445 58.121 56.048 -0.619 0.000 1.319 403 H CB -0.640 28.547 29.762 -0.959 0.000 1.379 403 H HN 0.376 nan 8.280 nan 0.000 0.501 404 Y N 0.777 121.187 120.300 0.183 0.000 2.293 404 Y HA -0.109 4.382 4.550 -0.099 0.000 0.291 404 Y C 2.191 178.215 175.900 0.207 0.000 1.137 404 Y CA 0.812 59.093 58.100 0.303 0.000 1.202 404 Y CB 0.071 38.654 38.460 0.204 0.000 0.990 404 Y HN 0.019 nan 8.280 nan 0.000 0.537 405 K N -0.462 120.069 120.400 0.217 0.000 2.155 405 K HA 0.007 4.270 4.320 -0.096 0.000 0.203 405 K C 2.305 178.951 176.600 0.077 0.000 1.052 405 K CA 1.042 57.408 56.287 0.131 0.000 0.948 405 K CB -0.902 31.645 32.500 0.079 0.000 0.728 405 K HN 0.411 nan 8.250 nan 0.000 0.448 406 G N 1.343 110.148 108.800 0.008 0.000 2.421 406 G HA2 -0.064 3.839 3.960 -0.096 0.000 0.217 406 G HA3 -0.064 3.839 3.960 -0.096 0.000 0.217 406 G C 0.543 175.446 174.900 0.005 0.000 1.143 406 G CA 0.493 45.561 45.100 -0.054 0.000 0.784 406 G HN 0.353 nan 8.290 nan 0.000 0.541 407 A N 0.548 123.433 122.820 0.108 0.000 2.561 407 A HA 0.294 4.557 4.320 -0.096 0.000 0.251 407 A C 1.418 179.066 177.584 0.105 0.000 1.062 407 A CA 0.136 52.279 52.037 0.176 0.000 0.761 407 A CB 0.332 19.570 19.000 0.397 0.000 0.986 407 A HN 0.307 nan 8.150 nan 0.000 0.510 408 Q N 1.440 121.260 119.800 0.033 0.000 2.398 408 Q HA -0.041 4.242 4.340 -0.096 0.000 0.204 408 Q C 0.869 176.864 176.000 -0.009 0.000 0.932 408 Q CA 0.609 56.423 55.803 0.018 0.000 0.916 408 Q CB -0.127 28.613 28.738 0.003 0.000 1.024 408 Q HN 0.932 nan 8.270 nan 0.000 0.504 409 R N 1.022 121.457 120.500 -0.109 0.000 2.679 409 R HA 0.119 4.402 4.340 -0.096 0.000 0.268 409 R C -0.094 176.195 176.300 -0.019 0.000 1.044 409 R CA 0.472 56.470 56.100 -0.169 0.000 1.105 409 R CB 0.369 30.399 30.300 -0.450 0.000 0.989 409 R HN -0.074 nan 8.270 nan 0.000 0.447 410 E N 0.867 121.093 120.200 0.044 0.000 3.254 410 E HA -0.008 4.284 4.350 -0.096 0.000 0.184 410 E C -0.610 176.078 176.600 0.147 0.000 0.967 410 E CA -0.086 56.401 56.400 0.146 0.000 1.311 410 E CB 0.625 30.385 29.700 0.101 0.000 1.071 410 E HN 0.796 nan 8.360 nan 0.000 0.456 411 D N 0.005 120.492 120.400 0.146 0.000 2.366 411 D HA -0.049 4.533 4.640 -0.096 0.000 0.205 411 D C 0.963 177.363 176.300 0.167 0.000 1.022 411 D CA 0.408 54.478 54.000 0.117 0.000 0.868 411 D CB 0.348 41.182 40.800 0.055 0.000 0.953 411 D HN 0.098 nan 8.370 nan 0.000 0.514 412 T N -3.642 111.073 114.554 0.268 0.000 2.907 412 T HA 0.436 4.729 4.350 -0.096 0.000 0.290 412 T C -2.320 172.518 174.700 0.229 0.000 1.066 412 T CA -1.756 60.495 62.100 0.250 0.000 1.012 412 T CB 2.431 71.481 68.868 0.303 0.000 1.184 412 T HN -0.427 nan 8.240 nan 0.000 0.522 413 P HA -0.105 nan 4.420 nan 0.000 0.216 413 P C 1.058 178.406 177.300 0.081 0.000 1.153 413 P CA 1.036 64.276 63.100 0.232 0.000 0.858 413 P CB -0.186 31.728 31.700 0.357 0.000 0.789 414 Y N -1.501 118.612 120.300 -0.312 0.000 2.145 414 Y HA -0.206 4.293 4.550 -0.085 0.000 0.286 414 Y C 2.003 177.489 175.900 -0.689 0.000 1.145 414 Y CA 1.614 59.094 58.100 -1.035 0.000 1.148 414 Y CB -0.833 37.038 38.460 -0.983 0.000 0.981 414 Y HN -0.076 nan 8.280 nan 0.000 0.507 415 W N 0.617 121.943 121.300 0.043 0.000 2.467 415 W HA -0.023 4.573 4.660 -0.107 0.000 0.275 415 W C 2.294 178.802 176.519 -0.018 0.000 1.239 415 W CA 0.918 58.292 57.345 0.050 0.000 1.266 415 W CB -0.049 29.487 29.460 0.127 0.000 1.112 415 W HN -0.104 nan 8.180 nan 0.000 0.576 416 K N 0.153 120.648 120.400 0.158 0.000 2.057 416 K HA -0.093 4.169 4.320 -0.096 0.000 0.206 416 K C 2.279 178.898 176.600 0.032 0.000 1.050 416 K CA 1.388 57.740 56.287 0.108 0.000 0.935 416 K CB -0.509 32.059 32.500 0.113 0.000 0.715 416 K HN 0.086 nan 8.250 nan 0.000 0.439 417 A N 1.569 124.355 122.820 -0.057 0.000 1.933 417 A HA -0.107 4.155 4.320 -0.096 0.000 0.218 417 A C 2.369 179.858 177.584 -0.158 0.000 1.175 417 A CA 1.742 53.729 52.037 -0.084 0.000 0.628 417 A CB -0.667 18.285 19.000 -0.080 0.000 0.814 417 A HN 0.326 nan 8.150 nan 0.000 0.444 418 A N -0.122 122.532 122.820 -0.276 0.000 1.940 418 A HA -0.198 4.065 4.320 -0.096 0.000 0.219 418 A C 2.104 179.690 177.584 0.003 0.000 1.176 418 A CA 1.834 53.757 52.037 -0.190 0.000 0.631 418 A CB -0.391 18.537 19.000 -0.120 0.000 0.814 418 A HN 0.425 nan 8.150 nan 0.000 0.446 419 K N -0.690 119.743 120.400 0.054 0.000 2.097 419 K HA -0.109 4.154 4.320 -0.096 0.000 0.206 419 K C 1.835 178.463 176.600 0.046 0.000 1.049 419 K CA 1.837 58.170 56.287 0.077 0.000 0.933 419 K CB -0.457 32.095 32.500 0.087 0.000 0.717 419 K HN 0.743 nan 8.250 nan 0.000 0.442 420 T N -2.106 112.464 114.554 0.026 0.000 3.054 420 T HA 0.121 4.413 4.350 -0.096 0.000 0.255 420 T C 0.768 175.476 174.700 0.013 0.000 1.035 420 T CA -0.431 61.684 62.100 0.023 0.000 0.941 420 T CB 0.299 69.183 68.868 0.027 0.000 1.026 420 T HN 0.021 nan 8.240 nan 0.000 0.533 421 R N 1.564 122.061 120.500 -0.004 0.000 2.643 421 R HA 0.563 4.845 4.340 -0.096 0.000 0.270 421 R C 0.404 176.705 176.300 0.002 0.000 1.061 421 R CA -0.138 55.954 56.100 -0.013 0.000 1.107 421 R CB 0.160 30.426 30.300 -0.056 0.000 0.999 421 R HN 0.336 nan 8.270 nan 0.000 0.460 422 A N 4.925 127.748 122.820 0.006 0.000 2.555 422 A HA 0.151 4.413 4.320 -0.096 0.000 0.233 422 A C 0.175 177.766 177.584 0.012 0.000 1.060 422 A CA 0.423 52.468 52.037 0.013 0.000 0.759 422 A CB -0.010 18.999 19.000 0.015 0.000 0.995 422 A HN 0.796 nan 8.150 nan 0.000 0.506 423 M N 0.937 120.547 119.600 0.017 0.000 2.690 423 M HA 0.660 5.082 4.480 -0.096 0.000 0.302 423 M C -2.832 173.477 176.300 0.015 0.000 1.234 423 M CA -2.234 53.077 55.300 0.019 0.000 0.853 423 M CB 1.088 33.707 32.600 0.033 0.000 1.748 423 M HN 0.236 nan 8.290 nan 0.000 0.469 424 P HA 0.119 nan 4.420 nan 0.000 0.268 424 P C -0.424 176.895 177.300 0.032 0.000 1.205 424 P CA -0.034 63.069 63.100 0.005 0.000 0.771 424 P CB 0.395 32.086 31.700 -0.016 0.000 0.858 425 D N 2.310 122.730 120.400 0.034 0.000 2.149 425 D HA -0.124 4.459 4.640 -0.096 0.000 0.198 425 D C 2.098 178.425 176.300 0.045 0.000 0.990 425 D CA 1.821 55.843 54.000 0.037 0.000 0.839 425 D CB -0.680 40.140 40.800 0.034 0.000 0.948 425 D HN 0.584 nan 8.370 nan 0.000 0.460 426 G N 0.298 109.136 108.800 0.065 0.000 2.509 426 G HA2 -0.168 3.734 3.960 -0.096 0.000 0.218 426 G HA3 -0.168 3.734 3.960 -0.096 0.000 0.218 426 G C 1.515 176.461 174.900 0.077 0.000 1.124 426 G CA 0.061 45.204 45.100 0.071 0.000 0.776 426 G HN 0.196 nan 8.290 nan 0.000 0.547 427 L N 1.014 122.290 121.223 0.089 0.000 2.179 427 L HA 0.312 4.594 4.340 -0.096 0.000 0.208 427 L C 2.998 179.907 176.870 0.065 0.000 1.096 427 L CA 1.412 56.314 54.840 0.103 0.000 0.779 427 L CB -0.614 41.508 42.059 0.103 0.000 0.922 427 L HN 0.213 nan 8.230 nan 0.000 0.443 428 A N -0.122 122.724 122.820 0.043 0.000 1.873 428 A HA -0.319 3.943 4.320 -0.096 0.000 0.218 428 A C 2.448 180.041 177.584 0.014 0.000 1.193 428 A CA 2.124 54.177 52.037 0.026 0.000 0.629 428 A CB -0.640 18.372 19.000 0.021 0.000 0.826 428 A HN 0.438 nan 8.150 nan 0.000 0.447 429 R N 0.245 120.750 120.500 0.009 0.000 2.091 429 R HA -0.117 4.165 4.340 -0.096 0.000 0.238 429 R C 1.995 178.281 176.300 -0.023 0.000 1.136 429 R CA 2.247 58.341 56.100 -0.010 0.000 0.959 429 R CB -0.438 29.853 30.300 -0.016 0.000 0.856 429 R HN 0.609 nan 8.270 nan 0.000 0.437 430 K N -0.038 120.358 120.400 -0.006 0.000 2.057 430 K HA -0.086 4.177 4.320 -0.096 0.000 0.206 430 K C 2.117 178.711 176.600 -0.010 0.000 1.050 430 K CA 1.663 57.945 56.287 -0.008 0.000 0.935 430 K CB -0.252 32.283 32.500 0.059 0.000 0.715 430 K HN 0.184 nan 8.250 nan 0.000 0.439 431 L N 1.177 122.407 121.223 0.011 0.000 2.046 431 L HA -0.207 4.075 4.340 -0.096 0.000 0.208 431 L C 2.235 179.084 176.870 -0.035 0.000 1.077 431 L CA 1.412 56.249 54.840 -0.006 0.000 0.747 431 L CB -0.409 41.656 42.059 0.011 0.000 0.896 431 L HN 0.226 nan 8.230 nan 0.000 0.432 432 E N 0.161 120.341 120.200 -0.034 0.000 2.051 432 E HA -0.208 4.085 4.350 -0.096 0.000 0.192 432 E C 2.342 178.892 176.600 -0.084 0.000 0.991 432 E CA 1.049 57.424 56.400 -0.041 0.000 0.799 432 E CB -0.159 29.527 29.700 -0.023 0.000 0.748 432 E HN 0.407 nan 8.360 nan 0.000 0.449 433 L N 0.691 121.840 121.223 -0.123 0.000 2.017 433 L HA -0.188 4.094 4.340 -0.096 0.000 0.208 433 L C 2.445 179.089 176.870 -0.375 0.000 1.073 433 L CA 0.984 55.657 54.840 -0.279 0.000 0.745 433 L CB -0.288 41.610 42.059 -0.267 0.000 0.894 433 L HN 0.059 nan 8.230 nan 0.000 0.432 434 S N -0.295 115.275 115.700 -0.217 0.000 2.474 434 S HA -0.083 4.330 4.470 -0.096 0.000 0.235 434 S C 2.021 176.541 174.600 -0.132 0.000 0.997 434 S CA 0.922 59.018 58.200 -0.173 0.000 0.949 434 S CB -0.160 62.986 63.200 -0.090 0.000 0.766 434 S HN 0.484 nan 8.310 nan 0.000 0.517 435 A N 0.510 123.265 122.820 -0.108 0.000 2.066 435 A HA 0.060 4.323 4.320 -0.096 0.000 0.218 435 A C 2.154 179.707 177.584 -0.052 0.000 1.157 435 A CA 1.471 53.469 52.037 -0.065 0.000 0.670 435 A CB -0.364 18.610 19.000 -0.043 0.000 0.804 435 A HN 0.470 nan 8.150 nan 0.000 0.453 436 S N -1.189 114.464 115.700 -0.079 0.000 2.506 436 S HA 0.154 4.566 4.470 -0.096 0.000 0.230 436 S C 0.615 175.264 174.600 0.081 0.000 1.066 436 S CA 0.602 58.810 58.200 0.014 0.000 0.940 436 S CB -0.046 63.211 63.200 0.094 0.000 0.818 436 S HN 0.819 nan 8.310 nan 0.000 0.518 437 H N -1.138 117.920 119.070 -0.020 0.000 2.967 437 H HA 0.387 4.885 4.556 -0.096 0.000 0.318 437 H C -1.324 173.992 175.328 -0.019 0.000 1.375 437 H CA -0.974 55.063 56.048 -0.018 0.000 1.132 437 H CB 0.020 29.775 29.762 -0.013 0.000 1.848 437 H HN 0.175 nan 8.280 nan 0.000 0.524 438 L N 1.822 123.108 121.223 0.105 0.000 2.426 438 L HA 0.164 4.446 4.340 -0.096 0.000 0.271 438 L C 0.730 177.630 176.870 0.050 0.000 1.169 438 L CA -0.558 54.301 54.840 0.031 0.000 0.836 438 L CB 0.416 42.505 42.059 0.050 0.000 1.112 438 L HN 0.318 nan 8.230 nan 0.000 0.465 439 L N 2.461 123.674 121.223 -0.016 0.000 2.482 439 L HA 0.019 4.302 4.340 -0.096 0.000 0.273 439 L C 0.002 176.873 176.870 0.002 0.000 1.228 439 L CA 0.279 55.103 54.840 -0.026 0.000 0.827 439 L CB 0.333 42.359 42.059 -0.055 0.000 1.099 439 L HN 0.735 nan 8.230 nan 0.000 0.494 440 D N -1.056 119.323 120.400 -0.034 0.000 2.867 440 D HA 0.184 4.766 4.640 -0.096 0.000 0.308 440 D C 0.310 176.555 176.300 -0.091 0.000 1.202 440 D CA -0.633 53.347 54.000 -0.032 0.000 1.035 440 D CB 0.459 41.254 40.800 -0.009 0.000 1.427 440 D HN 0.318 nan 8.370 nan 0.000 0.570 441 E N -1.002 119.158 120.200 -0.067 0.000 2.160 441 E HA -0.125 4.167 4.350 -0.096 0.000 0.195 441 E C 1.517 178.042 176.600 -0.125 0.000 0.991 441 E CA 1.318 57.667 56.400 -0.086 0.000 0.810 441 E CB -0.067 29.606 29.700 -0.046 0.000 0.742 441 E HN 0.307 nan 8.360 nan 0.000 0.466 442 Q N -0.771 118.961 119.800 -0.113 0.000 2.451 442 Q HA 0.050 4.333 4.340 -0.096 0.000 0.206 442 Q C 1.341 177.246 176.000 -0.158 0.000 0.947 442 Q CA 1.335 57.061 55.803 -0.128 0.000 0.937 442 Q CB 0.558 29.239 28.738 -0.094 0.000 1.025 442 Q HN 0.473 nan 8.270 nan 0.000 0.511 443 T N -3.536 110.911 114.554 -0.178 0.000 3.004 443 T HA 0.268 4.560 4.350 -0.096 0.000 0.266 443 T C 1.110 175.614 174.700 -0.327 0.000 0.986 443 T CA -0.362 61.620 62.100 -0.197 0.000 0.902 443 T CB -0.200 68.601 68.868 -0.111 0.000 1.118 443 T HN 0.204 nan 8.240 nan 0.000 0.522 444 I N -1.124 119.166 120.570 -0.468 0.000 3.418 444 I HA 0.543 4.655 4.170 -0.096 0.000 0.279 444 I C 0.503 176.228 176.117 -0.653 0.000 1.143 444 I CA -1.536 59.227 61.300 -0.896 0.000 0.983 444 I CB 0.279 37.521 38.000 -1.265 0.000 1.558 444 I HN 0.001 nan 8.210 nan 0.000 0.766 445 Y N 3.294 123.061 120.300 -0.888 0.000 2.632 445 Y HA 0.158 4.651 4.550 -0.095 0.000 0.329 445 Y C -1.709 174.006 175.900 -0.309 0.000 1.174 445 Y CA -1.243 56.575 58.100 -0.470 0.000 1.469 445 Y CB 0.520 38.702 38.460 -0.463 0.000 1.242 445 Y HN 0.409 nan 8.280 nan 0.000 0.540 446 P HA 0.006 nan 4.420 nan 0.000 0.251 446 P C -1.119 175.786 177.300 -0.658 0.000 1.223 446 P CA 0.814 63.529 63.100 -0.640 0.000 0.796 446 P CB 0.355 31.562 31.700 -0.821 0.000 1.068 447 Y N -1.305 118.883 120.300 -0.187 0.000 2.528 447 Y HA 0.370 4.862 4.550 -0.097 0.000 0.335 447 Y C 0.487 176.654 175.900 0.445 0.000 1.093 447 Y CA -1.612 56.520 58.100 0.054 0.000 1.134 447 Y CB 0.260 38.587 38.460 -0.221 0.000 1.253 447 Y HN -0.240 nan 8.280 nan 0.000 0.478 448 Y N 4.214 124.799 120.300 0.475 0.000 2.632 448 Y HA 0.040 4.533 4.550 -0.095 0.000 0.329 448 Y C 0.943 177.149 175.900 0.510 0.000 1.174 448 Y CA 0.277 58.608 58.100 0.384 0.000 1.469 448 Y CB 0.114 38.727 38.460 0.256 0.000 1.242 448 Y HN 0.666 nan 8.280 nan 0.000 0.540 449 H N 3.398 122.319 119.070 -0.248 0.000 3.297 449 H HA 0.282 4.780 4.556 -0.097 0.000 0.254 449 H C 1.149 176.371 175.328 -0.177 0.000 1.192 449 H CA 0.115 56.159 56.048 -0.008 0.000 1.058 449 H CB 0.079 29.959 29.762 0.197 0.000 1.777 449 H HN 0.883 nan 8.280 nan 0.000 0.696 450 G N 0.799 108.904 108.800 -1.157 0.000 2.176 450 G HA2 -0.265 3.637 3.960 -0.096 0.000 0.253 450 G HA3 -0.265 3.637 3.960 -0.096 0.000 0.253 450 G C -0.353 173.662 174.900 -1.475 0.000 0.979 450 G CA 0.346 44.648 45.100 -1.331 0.000 0.641 450 G HN 0.341 nan 8.290 nan 0.000 0.530 451 F N 0.550 119.974 119.950 -0.878 0.000 2.563 451 F HA 0.728 5.197 4.527 -0.097 0.000 0.316 451 F C 0.473 175.972 175.800 -0.501 0.000 1.076 451 F CA -0.935 56.653 58.000 -0.686 0.000 0.921 451 F CB 1.749 40.306 39.000 -0.737 0.000 1.209 451 F HN 0.038 nan 8.300 nan 0.000 0.462 452 E N -0.037 120.066 120.200 -0.162 0.000 2.285 452 E HA 0.302 4.595 4.350 -0.096 0.000 0.254 452 E C 0.441 177.037 176.600 -0.007 0.000 1.011 452 E CA -0.512 55.840 56.400 -0.080 0.000 0.873 452 E CB 1.650 31.308 29.700 -0.071 0.000 1.229 452 E HN 0.635 nan 8.360 nan 0.000 0.422 453 T N 0.182 114.755 114.554 0.031 0.000 2.653 453 T HA -0.269 4.024 4.350 -0.096 0.000 0.268 453 T C 1.816 176.612 174.700 0.160 0.000 1.035 453 T CA 2.156 64.298 62.100 0.069 0.000 1.154 453 T CB -0.494 68.416 68.868 0.070 0.000 0.862 453 T HN 0.561 nan 8.240 nan 0.000 0.441 454 Y N 1.619 122.031 120.300 0.187 0.000 2.274 454 Y HA -0.029 4.463 4.550 -0.097 0.000 0.290 454 Y C 2.417 178.457 175.900 0.233 0.000 1.145 454 Y CA 0.834 59.078 58.100 0.240 0.000 1.203 454 Y CB -1.020 37.617 38.460 0.295 0.000 0.984 454 Y HN 0.056 nan 8.280 nan 0.000 0.533 455 S N 0.136 115.639 115.700 -0.329 0.000 2.368 455 S HA -0.181 4.231 4.470 -0.096 0.000 0.225 455 S C 1.486 175.965 174.600 -0.201 0.000 1.030 455 S CA 1.596 59.616 58.200 -0.300 0.000 0.999 455 S CB -0.667 62.318 63.200 -0.358 0.000 0.844 455 S HN 0.695 nan 8.310 nan 0.000 0.459 456 W N 2.275 123.425 121.300 -0.251 0.000 2.379 456 W HA 0.029 4.633 4.660 -0.092 0.000 0.307 456 W C 2.231 178.693 176.519 -0.096 0.000 1.200 456 W CA 0.720 58.001 57.345 -0.107 0.000 1.297 456 W CB -0.622 28.772 29.460 -0.110 0.000 1.140 456 W HN 0.347 nan 8.180 nan 0.000 0.507 457 I N -2.984 117.677 120.570 0.151 0.000 2.617 457 I HA -0.108 4.005 4.170 -0.096 0.000 0.256 457 I C 1.825 177.871 176.117 -0.118 0.000 1.167 457 I CA 1.485 62.791 61.300 0.009 0.000 1.469 457 I CB -1.255 36.757 38.000 0.020 0.000 1.098 457 I HN -0.229 nan 8.210 nan 0.000 0.436 458 T N 1.691 116.264 114.554 0.033 0.000 2.746 458 T HA -0.057 4.235 4.350 -0.096 0.000 0.267 458 T C 1.970 176.549 174.700 -0.202 0.000 1.039 458 T CA 1.620 63.795 62.100 0.125 0.000 1.142 458 T CB -0.149 68.980 68.868 0.434 0.000 0.866 458 T HN 0.221 nan 8.240 nan 0.000 0.444 459 M N 1.712 121.116 119.600 -0.328 0.000 2.117 459 M HA -0.027 4.395 4.480 -0.096 0.000 0.262 459 M C 2.050 178.018 176.300 -0.554 0.000 1.065 459 M CA 1.233 56.183 55.300 -0.584 0.000 1.114 459 M CB -1.512 30.566 32.600 -0.871 0.000 1.361 459 M HN 0.155 nan 8.290 nan 0.000 0.408 460 N N 0.736 119.208 118.700 -0.380 0.000 2.058 460 N HA -0.073 4.609 4.740 -0.096 0.000 0.191 460 N C 1.920 177.206 175.510 -0.372 0.000 1.037 460 N CA 1.254 54.118 53.050 -0.310 0.000 0.848 460 N CB -0.533 37.845 38.487 -0.182 0.000 1.021 460 N HN 0.348 nan 8.380 nan 0.000 0.422 461 L N -0.110 120.840 121.223 -0.455 0.000 2.141 461 L HA -0.027 4.255 4.340 -0.096 0.000 0.209 461 L C 2.360 178.891 176.870 -0.565 0.000 1.094 461 L CA 1.174 55.708 54.840 -0.510 0.000 0.763 461 L CB -0.771 40.780 42.059 -0.847 0.000 0.908 461 L HN 0.221 nan 8.230 nan 0.000 0.437 462 G N 0.073 108.347 108.800 -0.876 0.000 2.402 462 G HA2 -0.149 3.754 3.960 -0.096 0.000 0.216 462 G HA3 -0.149 3.754 3.960 -0.096 0.000 0.216 462 G C 1.611 175.908 174.900 -1.004 0.000 1.162 462 G CA 0.391 44.513 45.100 -1.629 0.000 0.777 462 G HN 0.227 nan 8.290 nan 0.000 0.539 463 L N -0.445 120.378 121.223 -0.667 0.000 2.209 463 L HA 0.300 4.582 4.340 -0.096 0.000 0.207 463 L C 2.001 178.766 176.870 -0.176 0.000 1.094 463 L CA 0.826 55.502 54.840 -0.273 0.000 0.790 463 L CB 0.171 42.065 42.059 -0.275 0.000 0.932 463 L HN 0.411 nan 8.230 nan 0.000 0.447 464 G N 0.077 108.750 108.800 -0.213 0.000 2.155 464 G HA2 -0.145 3.757 3.960 -0.096 0.000 0.130 464 G HA3 -0.145 3.757 3.960 -0.096 0.000 0.130 464 G C 0.036 174.873 174.900 -0.105 0.000 1.027 464 G CA -0.706 44.318 45.100 -0.126 0.000 0.705 464 G HN 0.135 nan 8.290 nan 0.000 0.496 465 I N 2.113 122.602 120.570 -0.135 0.000 2.256 465 I HA 0.381 4.494 4.170 -0.096 0.000 0.294 465 I C 0.175 176.228 176.117 -0.106 0.000 1.127 465 I CA -0.554 60.685 61.300 -0.102 0.000 1.247 465 I CB 0.912 38.852 38.000 -0.100 0.000 1.460 465 I HN -0.109 nan 8.210 nan 0.000 0.511 466 V N 7.446 127.314 119.914 -0.076 0.000 2.628 466 V HA 0.417 4.479 4.120 -0.096 0.000 0.306 466 V C -2.119 173.948 176.094 -0.044 0.000 1.045 466 V CA -1.965 60.299 62.300 -0.059 0.000 0.905 466 V CB 1.745 33.552 31.823 -0.027 0.000 0.997 466 V HN 0.472 nan 8.190 nan 0.000 0.436 467 P HA 0.079 nan 4.420 nan 0.000 0.267 467 P C 0.841 178.128 177.300 -0.021 0.000 1.200 467 P CA 0.047 63.132 63.100 -0.025 0.000 0.772 467 P CB 0.735 32.433 31.700 -0.003 0.000 0.855 468 E N 2.576 122.766 120.200 -0.018 0.000 2.118 468 E HA -0.185 4.107 4.350 -0.096 0.000 0.195 468 E C 0.092 176.678 176.600 -0.024 0.000 0.992 468 E CA 1.208 57.597 56.400 -0.019 0.000 0.804 468 E CB 0.223 29.915 29.700 -0.013 0.000 0.741 468 E HN 0.341 nan 8.360 nan 0.000 0.458 469 R N -0.092 120.395 120.500 -0.021 0.000 2.774 469 R HA 0.352 4.634 4.340 -0.096 0.000 0.272 469 R C -2.573 173.707 176.300 -0.033 0.000 1.000 469 R CA -2.026 54.054 56.100 -0.033 0.000 0.906 469 R CB 1.870 32.151 30.300 -0.031 0.000 1.227 469 R HN 0.056 nan 8.270 nan 0.000 0.468 470 P HA 0.066 nan 4.420 nan 0.000 0.272 470 P C -0.772 176.484 177.300 -0.074 0.000 1.240 470 P CA -0.380 62.680 63.100 -0.067 0.000 0.791 470 P CB 0.546 32.188 31.700 -0.096 0.000 0.978 471 R N 1.900 122.338 120.500 -0.103 0.000 2.480 471 R HA 0.003 4.286 4.340 -0.096 0.000 0.303 471 R C -1.489 174.727 176.300 -0.140 0.000 0.985 471 R CA -0.853 55.178 56.100 -0.114 0.000 1.051 471 R CB -0.827 29.364 30.300 -0.181 0.000 0.935 471 R HN 0.383 nan 8.270 nan 0.000 0.410 472 P HA -0.182 nan 4.420 nan 0.000 0.217 472 P C 0.973 178.272 177.300 -0.003 0.000 1.148 472 P CA 1.563 64.645 63.100 -0.030 0.000 0.828 472 P CB 0.174 31.878 31.700 0.007 0.000 0.783 473 A N -0.506 122.269 122.820 -0.076 0.000 1.978 473 A HA -0.185 4.078 4.320 -0.096 0.000 0.220 473 A C 2.153 179.638 177.584 -0.165 0.000 1.170 473 A CA 1.431 53.417 52.037 -0.084 0.000 0.636 473 A CB -1.625 17.311 19.000 -0.107 0.000 0.810 473 A HN 0.167 nan 8.150 nan 0.000 0.448 474 L N -0.600 120.389 121.223 -0.389 0.000 2.275 474 L HA -0.105 4.177 4.340 -0.096 0.000 0.215 474 L C 2.117 178.899 176.870 -0.147 0.000 1.119 474 L CA 0.524 55.081 54.840 -0.472 0.000 0.790 474 L CB -0.448 41.193 42.059 -0.697 0.000 0.919 474 L HN 0.386 nan 8.230 nan 0.000 0.443 475 L N -1.059 120.103 121.223 -0.101 0.000 2.376 475 L HA -0.137 4.145 4.340 -0.096 0.000 0.219 475 L C 2.064 178.847 176.870 -0.146 0.000 1.133 475 L CA 0.693 55.467 54.840 -0.111 0.000 0.816 475 L CB -0.633 41.329 42.059 -0.161 0.000 0.933 475 L HN 0.423 nan 8.230 nan 0.000 0.449 476 H N -0.985 118.057 119.070 -0.047 0.000 2.539 476 H HA 0.268 4.766 4.556 -0.096 0.000 0.269 476 H C 0.527 175.863 175.328 0.013 0.000 0.980 476 H CA 0.171 56.209 56.048 -0.017 0.000 1.152 476 H CB 0.514 30.263 29.762 -0.021 0.000 1.407 476 H HN 0.300 nan 8.280 nan 0.000 0.564 477 M N 0.492 120.169 119.600 0.129 0.000 2.578 477 M HA 0.128 4.550 4.480 -0.096 0.000 0.321 477 M C -0.297 176.102 176.300 0.166 0.000 1.182 477 M CA -1.043 54.356 55.300 0.164 0.000 0.965 477 M CB 2.071 34.803 32.600 0.219 0.000 1.694 477 M HN -0.152 nan 8.290 nan 0.000 0.461 478 D N 3.415 123.897 120.400 0.137 0.000 2.412 478 D HA 0.081 4.664 4.640 -0.096 0.000 0.257 478 D C -1.576 174.757 176.300 0.055 0.000 1.217 478 D CA -1.282 52.765 54.000 0.078 0.000 0.897 478 D CB 0.859 41.686 40.800 0.044 0.000 1.132 478 D HN 0.275 nan 8.370 nan 0.000 0.493 479 P HA 0.068 nan 4.420 nan 0.000 0.245 479 P C 0.913 178.100 177.300 -0.188 0.000 1.206 479 P CA 0.126 63.180 63.100 -0.077 0.000 0.781 479 P CB 0.320 32.042 31.700 0.036 0.000 0.994 480 A N 1.878 124.627 122.820 -0.118 0.000 1.883 480 A HA -0.113 4.150 4.320 -0.096 0.000 0.217 480 A C -0.008 177.476 177.584 -0.167 0.000 1.186 480 A CA 1.836 53.807 52.037 -0.109 0.000 0.624 480 A CB -2.146 16.816 19.000 -0.064 0.000 0.822 480 A HN 0.200 nan 8.150 nan 0.000 0.444 481 P HA -0.154 nan 4.420 nan 0.000 0.216 481 P C 1.755 178.826 177.300 -0.381 0.000 1.153 481 P CA 2.073 65.030 63.100 -0.238 0.000 0.858 481 P CB -0.146 31.434 31.700 -0.200 0.000 0.789 482 A N -0.791 121.629 122.820 -0.666 0.000 1.898 482 A HA -0.145 4.117 4.320 -0.096 0.000 0.216 482 A C 2.236 179.597 177.584 -0.371 0.000 1.181 482 A CA 1.372 52.898 52.037 -0.852 0.000 0.620 482 A CB -1.613 16.432 19.000 -1.591 0.000 0.819 482 A HN 0.101 nan 8.150 nan 0.000 0.442 483 L N -0.725 120.409 121.223 -0.149 0.000 2.083 483 L HA -0.193 4.089 4.340 -0.096 0.000 0.209 483 L C 3.077 179.965 176.870 0.030 0.000 1.083 483 L CA 1.019 55.903 54.840 0.073 0.000 0.752 483 L CB -0.548 41.524 42.059 0.022 0.000 0.899 483 L HN 0.438 nan 8.230 nan 0.000 0.433 484 A N -0.182 122.598 122.820 -0.066 0.000 1.933 484 A HA -0.253 4.009 4.320 -0.096 0.000 0.218 484 A C 2.196 179.735 177.584 -0.075 0.000 1.175 484 A CA 1.945 53.946 52.037 -0.059 0.000 0.628 484 A CB -0.397 18.558 19.000 -0.077 0.000 0.814 484 A HN 0.381 nan 8.150 nan 0.000 0.444 485 E N -0.704 119.399 120.200 -0.163 0.000 2.107 485 E HA -0.065 4.228 4.350 -0.096 0.000 0.191 485 E C 1.517 178.020 176.600 -0.161 0.000 0.982 485 E CA 1.025 57.304 56.400 -0.201 0.000 0.809 485 E CB -0.449 29.060 29.700 -0.320 0.000 0.756 485 E HN 0.644 nan 8.360 nan 0.000 0.459 486 F N 0.662 120.575 119.950 -0.061 0.000 2.171 486 F HA -0.154 4.315 4.527 -0.096 0.000 0.300 486 F C 2.362 178.144 175.800 -0.029 0.000 1.090 486 F CA 0.931 58.913 58.000 -0.031 0.000 1.293 486 F CB 0.114 39.108 39.000 -0.010 0.000 1.013 486 F HN 0.062 nan 8.300 nan 0.000 0.486 487 E N 0.226 120.510 120.200 0.140 0.000 2.072 487 E HA -0.116 4.176 4.350 -0.096 0.000 0.190 487 E C 2.281 178.905 176.600 0.040 0.000 0.982 487 E CA 0.757 57.200 56.400 0.073 0.000 0.803 487 E CB -0.329 29.396 29.700 0.042 0.000 0.755 487 E HN 0.391 nan 8.360 nan 0.000 0.453 488 R N 0.337 120.846 120.500 0.015 0.000 2.096 488 R HA -0.114 4.169 4.340 -0.096 0.000 0.240 488 R C 2.638 178.946 176.300 0.014 0.000 1.139 488 R CA 1.135 57.236 56.100 0.002 0.000 0.952 488 R CB -0.506 29.781 30.300 -0.021 0.000 0.854 488 R HN 0.157 nan 8.270 nan 0.000 0.436 489 L N 0.030 121.265 121.223 0.020 0.000 2.042 489 L HA -0.207 4.076 4.340 -0.096 0.000 0.210 489 L C 2.834 179.728 176.870 0.039 0.000 1.076 489 L CA 1.394 56.252 54.840 0.031 0.000 0.749 489 L CB -0.389 41.692 42.059 0.038 0.000 0.893 489 L HN 0.206 nan 8.230 nan 0.000 0.432 490 R N 0.204 120.735 120.500 0.050 0.000 2.066 490 R HA -0.197 4.086 4.340 -0.096 0.000 0.232 490 R C 2.501 178.816 176.300 0.024 0.000 1.131 490 R CA 1.615 57.737 56.100 0.037 0.000 0.955 490 R CB -0.141 30.183 30.300 0.040 0.000 0.851 490 R HN 0.208 nan 8.270 nan 0.000 0.432 491 R N 0.583 121.096 120.500 0.022 0.000 2.075 491 R HA -0.124 4.159 4.340 -0.096 0.000 0.232 491 R C 1.898 178.207 176.300 0.014 0.000 1.126 491 R CA 1.888 57.997 56.100 0.015 0.000 0.963 491 R CB -0.061 30.247 30.300 0.013 0.000 0.858 491 R HN 0.344 nan 8.270 nan 0.000 0.435 492 E N -0.710 119.501 120.200 0.018 0.000 2.085 492 E HA -0.158 4.134 4.350 -0.096 0.000 0.194 492 E C 1.920 178.530 176.600 0.016 0.000 0.994 492 E CA 1.190 57.603 56.400 0.023 0.000 0.801 492 E CB -0.278 29.442 29.700 0.034 0.000 0.743 492 E HN 0.595 nan 8.360 nan 0.000 0.453 493 G N 1.629 110.436 108.800 0.012 0.000 2.476 493 G HA2 -0.321 3.581 3.960 -0.096 0.000 0.218 493 G HA3 -0.321 3.581 3.960 -0.096 0.000 0.218 493 G C 1.126 176.019 174.900 -0.012 0.000 1.164 493 G CA 1.285 46.381 45.100 -0.006 0.000 0.768 493 G HN 0.141 nan 8.290 nan 0.000 0.560 494 D N 0.656 121.056 120.400 0.001 0.000 2.104 494 D HA -0.073 4.510 4.640 -0.096 0.000 0.194 494 D C 2.506 178.803 176.300 -0.004 0.000 0.994 494 D CA 1.191 55.191 54.000 0.001 0.000 0.830 494 D CB -0.319 40.484 40.800 0.006 0.000 0.959 494 D HN 0.502 nan 8.370 nan 0.000 0.452 495 E N 0.189 120.389 120.200 -0.000 0.000 2.051 495 E HA -0.113 4.179 4.350 -0.096 0.000 0.192 495 E C 2.435 179.031 176.600 -0.007 0.000 0.991 495 E CA 0.475 56.876 56.400 0.001 0.000 0.799 495 E CB -0.139 29.567 29.700 0.009 0.000 0.748 495 E HN 0.235 nan 8.360 nan 0.000 0.449 496 L N 1.008 122.221 121.223 -0.016 0.000 2.046 496 L HA -0.179 4.103 4.340 -0.096 0.000 0.208 496 L C 2.669 179.497 176.870 -0.071 0.000 1.077 496 L CA 1.055 55.868 54.840 -0.045 0.000 0.747 496 L CB -0.603 41.405 42.059 -0.085 0.000 0.896 496 L HN 0.282 nan 8.230 nan 0.000 0.432 497 I N -2.920 117.612 120.570 -0.063 0.000 2.439 497 I HA -0.105 4.007 4.170 -0.096 0.000 0.251 497 I C 2.578 178.675 176.117 -0.032 0.000 1.139 497 I CA 1.263 62.528 61.300 -0.058 0.000 1.438 497 I CB -0.612 37.363 38.000 -0.042 0.000 1.085 497 I HN 0.042 nan 8.210 nan 0.000 0.427 498 A N 1.326 124.134 122.820 -0.020 0.000 1.930 498 A HA 0.176 4.439 4.320 -0.096 0.000 0.217 498 A C 2.492 180.071 177.584 -0.008 0.000 1.175 498 A CA 1.607 53.639 52.037 -0.009 0.000 0.627 498 A CB -0.703 18.295 19.000 -0.003 0.000 0.815 498 A HN 0.578 nan 8.150 nan 0.000 0.443 499 A N -0.890 121.922 122.820 -0.013 0.000 1.943 499 A HA 0.439 4.702 4.320 -0.096 0.000 0.213 499 A C 1.004 178.580 177.584 -0.012 0.000 1.181 499 A CA 0.019 52.052 52.037 -0.007 0.000 0.653 499 A CB -0.240 18.759 19.000 -0.000 0.000 0.833 499 A HN 0.392 nan 8.150 nan 0.000 0.451 500 L N 1.598 122.801 121.223 -0.034 0.000 2.417 500 L HA 0.266 4.548 4.340 -0.096 0.000 0.268 500 L C -1.864 174.990 176.870 -0.027 0.000 1.158 500 L CA -2.044 52.766 54.840 -0.050 0.000 0.819 500 L CB 0.765 42.756 42.059 -0.113 0.000 1.112 500 L HN 0.192 nan 8.230 nan 0.000 0.458 501 P HA 0.100 nan 4.420 nan 0.000 0.275 501 P C -0.734 176.576 177.300 0.017 0.000 1.266 501 P CA -0.542 62.573 63.100 0.026 0.000 0.793 501 P CB 0.846 32.592 31.700 0.076 0.000 1.074 502 S N -0.684 115.047 115.700 0.051 0.000 2.608 502 S HA 0.028 4.440 4.470 -0.096 0.000 0.261 502 S C 1.567 176.222 174.600 0.092 0.000 1.314 502 S CA -0.377 57.861 58.200 0.062 0.000 0.992 502 S CB -0.255 63.001 63.200 0.092 0.000 0.935 502 S HN 0.706 nan 8.310 nan 0.000 0.564 503 C N 1.033 120.391 119.300 0.096 0.000 2.398 503 C HA -0.133 4.269 4.460 -0.096 0.000 0.276 503 C C 2.346 177.474 174.990 0.231 0.000 1.222 503 C CA 1.468 60.575 59.018 0.149 0.000 1.746 503 C CB -1.816 26.009 27.740 0.142 0.000 2.039 503 C HN 0.955 nan 8.230 nan 0.000 0.470 504 Y N 1.495 121.864 120.300 0.116 0.000 2.181 504 Y HA -0.108 4.385 4.550 -0.094 0.000 0.288 504 Y C 2.366 178.363 175.900 0.161 0.000 1.146 504 Y CA 2.330 60.508 58.100 0.130 0.000 1.164 504 Y CB -0.551 37.923 38.460 0.024 0.000 0.982 504 Y HN 0.478 nan 8.280 nan 0.000 0.515 505 E N -1.254 119.023 120.200 0.128 0.000 2.058 505 E HA -0.299 3.993 4.350 -0.096 0.000 0.194 505 E C 1.939 178.532 176.600 -0.013 0.000 0.997 505 E CA 1.629 58.058 56.400 0.048 0.000 0.801 505 E CB -0.537 29.222 29.700 0.098 0.000 0.746 505 E HN 0.609 nan 8.360 nan 0.000 0.450 506 Y N 1.208 121.485 120.300 -0.038 0.000 2.181 506 Y HA -0.187 4.305 4.550 -0.097 0.000 0.288 506 Y C 1.977 177.852 175.900 -0.041 0.000 1.146 506 Y CA 1.326 59.395 58.100 -0.053 0.000 1.164 506 Y CB -0.110 38.292 38.460 -0.096 0.000 0.982 506 Y HN -0.049 nan 8.280 nan 0.000 0.515 507 L N -0.546 120.698 121.223 0.034 0.000 2.046 507 L HA -0.215 4.067 4.340 -0.096 0.000 0.208 507 L C 2.783 179.469 176.870 -0.306 0.000 1.077 507 L CA 1.108 55.909 54.840 -0.065 0.000 0.747 507 L CB -0.967 41.192 42.059 0.166 0.000 0.896 507 L HN 0.319 nan 8.230 nan 0.000 0.432 508 A N 0.124 122.779 122.820 -0.275 0.000 1.917 508 A HA -0.281 3.982 4.320 -0.096 0.000 0.219 508 A C 2.480 179.911 177.584 -0.256 0.000 1.182 508 A CA 2.269 54.154 52.037 -0.253 0.000 0.633 508 A CB -0.855 17.969 19.000 -0.293 0.000 0.819 508 A HN 0.536 nan 8.150 nan 0.000 0.448 509 S N -0.070 115.448 115.700 -0.303 0.000 2.507 509 S HA -0.023 4.389 4.470 -0.096 0.000 0.235 509 S C 1.471 175.854 174.600 -0.362 0.000 0.988 509 S CA 1.067 59.082 58.200 -0.308 0.000 0.944 509 S CB -0.708 62.299 63.200 -0.321 0.000 0.762 509 S HN 0.943 nan 8.310 nan 0.000 0.526 510 I N -2.665 117.648 120.570 -0.429 0.000 4.082 510 I HA 0.295 4.408 4.170 -0.096 0.000 0.337 510 I C 0.383 176.316 176.117 -0.307 0.000 1.352 510 I CA -0.718 60.369 61.300 -0.355 0.000 1.097 510 I CB -0.024 37.758 38.000 -0.363 0.000 1.048 510 I HN 0.042 nan 8.210 nan 0.000 0.393 511 Q N 0.000 119.598 119.800 -0.336 0.000 2.315 511 Q HA 0.000 4.282 4.340 -0.096 0.000 0.214 511 Q CA 0.000 55.613 55.803 -0.317 0.000 1.022 511 Q CB 0.000 28.534 28.738 -0.340 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481