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 3fn9_1_B DATA FIRST_RESID 22 DATA SEQUENCE LARQVTAFNT GWQFKKGPFA TDPMRAASQW DGKWETVEIP HTWNAMDMQV DATA SEQUENCE QSGSFYEGAG YYRKTQFFPH DLEGKRVFLR FEGVGACAEV YVNGKLAGTH DATA SEQUENCE KGGYSAFACE IGTALKLGAE NEIIVKADNK ARPDVIPVNQ NLFGVYGGIY DATA SEQUENCE RPVWLIVTEQ NNITVTDCAS PGVYITQKDV SKKSADITVK VKLDNAGLQP DATA SEQUENCE AAVTLENTIY TQEGQKVGTH SRSFDLSPQG TQTYLSTFKL KNPHLWQGRK DATA SEQUENCE DPYLYKVVCR LMADGKVIDE VVQPLGVRKY EIVAGKGFFL NGEKYSMYGV DATA SEQUENCE TRHQDWWGLG SALKNEHHDF DLAAIMDVGA TTVRFAHYQQ SDYLYSRCDT DATA SEQUENCE LGLIIWAEIP CVNRVTGYET ENAQSQLREL IRQSFNHPSI YVWGLHNEVY DATA SEQUENCE QPHEYTAALT RSLHDLAKTE DPDRYTVSVN GYGHMDHPVN LNADIQGMNR DATA SEQUENCE YFGWYEKKIQ DIKPWVEQLE KDYPYQKLML TEYGADANLA HQTEYLGDAL DATA SEQUENCE NWGKPFYPET FQTKTHEYQW SIIKDHPYII ASYLWNMFDF AVPMWTRGGV DATA SEQUENCE PARNMKGLIT FDRKTKKDSY FWYKANWSEE PVLYLTQRRN ADREKRTTAV DATA SEQUENCE TVYSNIGTPK VYLNGQELSG IRNGYTDVHY VFDNVSLADG KNILKAVVST DATA SEQUENCE KGKEYTDEIE WNYSGEKNRE ID 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.875 176.870 0.008 0.000 1.165 22 L CA 0.000 54.841 54.840 0.002 0.000 0.813 22 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 23 A N 2.818 125.643 122.820 0.007 0.000 2.014 23 A HA 0.033 4.354 4.320 0.000 0.000 0.218 23 A C 1.203 178.797 177.584 0.016 0.000 1.163 23 A CA 0.899 52.943 52.037 0.011 0.000 0.652 23 A CB -0.024 18.981 19.000 0.008 0.000 0.808 23 A HN 0.600 nan 8.150 nan 0.000 0.449 24 R N 0.263 120.769 120.500 0.009 0.000 2.428 24 R HA 0.414 4.754 4.340 0.000 0.000 0.294 24 R C -1.320 174.993 176.300 0.022 0.000 1.000 24 R CA -0.383 55.724 56.100 0.013 0.000 0.960 24 R CB 0.474 30.768 30.300 -0.010 0.000 1.076 24 R HN 0.287 nan 8.270 nan 0.000 0.475 25 Q N 2.415 122.240 119.800 0.042 0.000 2.347 25 Q HA 0.326 4.666 4.340 0.000 0.000 0.262 25 Q C -1.216 174.826 176.000 0.071 0.000 0.980 25 Q CA -0.506 55.331 55.803 0.057 0.000 0.867 25 Q CB 2.489 31.271 28.738 0.073 0.000 1.242 25 Q HN 0.340 nan 8.270 nan 0.000 0.453 26 V N 3.173 123.126 119.914 0.065 0.000 2.293 26 V HA 0.483 4.603 4.120 0.000 0.000 0.275 26 V C -0.110 176.114 176.094 0.217 0.000 1.021 26 V CA -0.560 61.797 62.300 0.095 0.000 0.815 26 V CB 0.950 32.746 31.823 -0.045 0.000 1.025 26 V HN 0.894 nan 8.190 nan 0.000 0.448 27 T N 1.953 116.683 114.554 0.292 0.000 2.932 27 T HA 0.849 5.199 4.350 0.000 0.000 0.289 27 T C 0.053 174.968 174.700 0.359 0.000 1.039 27 T CA -0.507 61.782 62.100 0.315 0.000 1.024 27 T CB 2.046 71.035 68.868 0.201 0.000 1.090 27 T HN 0.806 nan 8.240 nan 0.000 0.496 28 A N 1.033 123.961 122.820 0.181 0.000 2.425 28 A HA 0.602 4.922 4.320 0.000 0.000 0.249 28 A C -0.418 177.174 177.584 0.013 0.000 1.084 28 A CA -0.502 51.444 52.037 -0.151 0.000 0.781 28 A CB -0.421 18.460 19.000 -0.197 0.000 1.019 28 A HN 0.912 nan 8.150 nan 0.000 0.490 29 F N 1.855 121.645 119.950 -0.267 0.000 2.677 29 F HA 0.283 4.810 4.527 0.000 0.000 0.388 29 F C 0.491 176.343 175.800 0.087 0.000 1.400 29 F CA -0.579 57.378 58.000 -0.072 0.000 1.162 29 F CB 0.545 39.518 39.000 -0.045 0.000 1.135 29 F HN 0.623 nan 8.300 nan 0.000 0.516 30 N N 0.069 118.768 118.700 -0.002 0.000 2.236 30 N HA 0.095 4.835 4.740 0.000 0.000 0.196 30 N C 0.124 175.750 175.510 0.193 0.000 1.114 30 N CA 0.237 53.341 53.050 0.089 0.000 0.859 30 N CB 0.703 39.140 38.487 -0.083 0.000 0.982 30 N HN 0.098 nan 8.380 nan 0.000 0.493 31 T N -0.499 114.056 114.554 0.002 0.000 2.794 31 T HA 0.492 4.842 4.350 0.000 0.000 0.280 31 T C 0.717 175.283 174.700 -0.222 0.000 0.987 31 T CA -0.160 61.892 62.100 -0.080 0.000 0.993 31 T CB 1.529 70.313 68.868 -0.139 0.000 0.939 31 T HN 0.328 nan 8.240 nan 0.000 0.449 32 G N 2.600 111.329 108.800 -0.118 0.000 2.212 32 G HA2 -0.199 3.761 3.960 0.000 0.000 0.255 32 G HA3 -0.199 3.761 3.960 0.000 0.000 0.255 32 G C -0.291 174.479 174.900 -0.216 0.000 1.062 32 G CA -0.495 44.495 45.100 -0.184 0.000 0.815 32 G HN 0.649 nan 8.290 nan 0.000 0.497 33 W N 0.044 121.327 121.300 -0.028 0.000 2.496 33 W HA 0.672 5.332 4.660 0.000 0.000 0.327 33 W C 0.642 177.237 176.519 0.127 0.000 1.086 33 W CA -0.742 56.646 57.345 0.072 0.000 1.222 33 W CB 1.173 30.708 29.460 0.124 0.000 1.304 33 W HN 0.197 nan 8.180 nan 0.000 0.547 34 Q N 2.699 122.783 119.800 0.474 0.000 2.342 34 Q HA 0.512 4.852 4.340 0.000 0.000 0.267 34 Q C -1.312 175.087 176.000 0.666 0.000 1.038 34 Q CA -1.039 55.028 55.803 0.439 0.000 0.832 34 Q CB 2.835 31.725 28.738 0.253 0.000 1.323 34 Q HN 0.421 nan 8.270 nan 0.000 0.448 35 F N 1.404 121.543 119.950 0.316 0.000 2.598 35 F HA 0.675 5.202 4.527 0.000 0.000 0.327 35 F C -1.187 174.543 175.800 -0.117 0.000 1.057 35 F CA -0.771 57.250 58.000 0.036 0.000 0.957 35 F CB 1.669 40.509 39.000 -0.267 0.000 1.278 35 F HN 0.314 nan 8.300 nan 0.000 0.484 36 K N 3.814 123.231 120.400 -1.638 0.000 2.713 36 K HA 0.188 4.508 4.320 0.000 0.000 0.304 36 K C -1.586 174.258 176.600 -1.260 0.000 1.240 36 K CA -0.407 55.041 56.287 -1.400 0.000 1.080 36 K CB 0.665 32.003 32.500 -1.936 0.000 1.387 36 K HN 0.712 nan 8.250 nan 0.000 0.527 37 K N 1.723 121.392 120.400 -1.218 0.000 2.258 37 K HA 0.508 4.828 4.320 0.000 0.000 0.264 37 K C 0.554 176.605 176.600 -0.915 0.000 1.007 37 K CA 0.140 55.894 56.287 -0.889 0.000 0.941 37 K CB 0.550 32.627 32.500 -0.705 0.000 0.966 37 K HN 0.688 nan 8.250 nan 0.000 0.480 38 G N 2.486 110.646 108.800 -1.067 0.000 2.486 38 G HA2 0.198 4.158 3.960 0.000 0.000 0.272 38 G HA3 0.198 4.158 3.960 0.000 0.000 0.272 38 G C -2.288 171.974 174.900 -1.063 0.000 1.426 38 G CA -0.931 43.176 45.100 -1.654 0.000 1.058 38 G HN 0.560 nan 8.290 nan 0.000 0.531 39 P HA 0.245 nan 4.420 nan 0.000 0.271 39 P C -1.224 175.714 177.300 -0.605 0.000 1.218 39 P CA 0.021 62.860 63.100 -0.434 0.000 0.780 39 P CB 0.686 32.295 31.700 -0.151 0.000 0.901 40 F N 0.509 120.462 119.950 0.005 0.000 2.436 40 F HA 0.490 5.017 4.527 0.000 0.000 0.340 40 F C 1.113 176.918 175.800 0.009 0.000 1.113 40 F CA -0.839 57.166 58.000 0.009 0.000 1.022 40 F CB 0.831 39.874 39.000 0.073 0.000 1.128 40 F HN 0.336 nan 8.300 nan 0.000 0.466 41 A N 1.518 124.445 122.820 0.178 0.000 2.613 41 A HA 0.123 4.443 4.320 0.000 0.000 0.230 41 A C 1.398 179.043 177.584 0.102 0.000 1.051 41 A CA 0.855 52.952 52.037 0.099 0.000 0.754 41 A CB -0.082 18.963 19.000 0.074 0.000 0.979 41 A HN 0.964 nan 8.150 nan 0.000 0.510 42 T N 0.063 114.654 114.554 0.061 0.000 2.983 42 T HA -0.021 4.329 4.350 0.000 0.000 0.250 42 T C 0.722 175.441 174.700 0.031 0.000 1.037 42 T CA 1.031 63.160 62.100 0.050 0.000 1.142 42 T CB -0.418 68.471 68.868 0.035 0.000 0.876 42 T HN 0.900 nan 8.240 nan 0.000 0.455 43 D N 0.967 121.381 120.400 0.023 0.000 2.313 43 D HA 0.192 4.832 4.640 0.000 0.000 0.247 43 D C -1.856 174.449 176.300 0.008 0.000 1.094 43 D CA -1.786 52.221 54.000 0.012 0.000 0.925 43 D CB 1.476 42.281 40.800 0.008 0.000 1.188 43 D HN 0.050 nan 8.370 nan 0.000 0.430 44 P HA -0.149 nan 4.420 nan 0.000 0.214 44 P C 1.903 179.199 177.300 -0.007 0.000 1.163 44 P CA 1.378 64.467 63.100 -0.018 0.000 0.883 44 P CB -0.092 31.591 31.700 -0.029 0.000 0.788 45 M N -0.686 118.913 119.600 -0.002 0.000 2.088 45 M HA -0.299 4.181 4.480 0.000 0.000 0.256 45 M C 2.345 178.656 176.300 0.018 0.000 1.071 45 M CA 2.045 57.349 55.300 0.006 0.000 1.097 45 M CB -0.336 32.267 32.600 0.005 0.000 1.315 45 M HN -0.276 nan 8.290 nan 0.000 0.406 46 R N -0.159 120.354 120.500 0.021 0.000 2.081 46 R HA -0.108 4.232 4.340 0.000 0.000 0.235 46 R C 2.195 178.527 176.300 0.053 0.000 1.131 46 R CA 1.673 57.792 56.100 0.031 0.000 0.960 46 R CB -0.418 29.898 30.300 0.027 0.000 0.856 46 R HN 0.617 nan 8.270 nan 0.000 0.436 47 A N 0.531 123.382 122.820 0.053 0.000 1.877 47 A HA -0.110 4.210 4.320 0.000 0.000 0.216 47 A C 2.341 179.977 177.584 0.086 0.000 1.186 47 A CA 1.656 53.738 52.037 0.076 0.000 0.620 47 A CB -0.934 18.087 19.000 0.036 0.000 0.822 47 A HN 0.488 nan 8.150 nan 0.000 0.443 48 A N -0.663 122.185 122.820 0.047 0.000 1.917 48 A HA -0.154 4.166 4.320 0.000 0.000 0.219 48 A C 2.454 180.119 177.584 0.135 0.000 1.182 48 A CA 2.278 54.359 52.037 0.072 0.000 0.633 48 A CB -1.059 17.953 19.000 0.021 0.000 0.819 48 A HN 0.451 nan 8.150 nan 0.000 0.448 49 S N -0.766 114.989 115.700 0.092 0.000 2.359 49 S HA -0.270 4.200 4.470 0.000 0.000 0.223 49 S C 2.178 176.841 174.600 0.106 0.000 1.039 49 S CA 1.833 60.084 58.200 0.086 0.000 1.042 49 S CB -0.364 62.868 63.200 0.053 0.000 0.915 49 S HN 0.714 nan 8.310 nan 0.000 0.439 50 Q N -0.358 119.510 119.800 0.114 0.000 2.045 50 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 50 Q C 1.994 178.069 176.000 0.125 0.000 0.991 50 Q CA 1.629 57.499 55.803 0.111 0.000 0.851 50 Q CB -0.324 28.523 28.738 0.182 0.000 0.911 50 Q HN 0.683 nan 8.270 nan 0.000 0.418 51 W N 1.639 122.929 121.300 -0.017 0.000 2.304 51 W HA -0.269 4.391 4.660 0.000 0.000 0.315 51 W C 1.136 177.795 176.519 0.234 0.000 1.233 51 W CA 1.578 58.953 57.345 0.050 0.000 1.261 51 W CB -0.154 29.292 29.460 -0.023 0.000 1.150 51 W HN 0.207 nan 8.180 nan 0.000 0.494 52 D N 0.148 120.711 120.400 0.271 0.000 2.378 52 D HA 0.032 4.672 4.640 0.000 0.000 0.227 52 D C 1.239 177.611 176.300 0.119 0.000 1.012 52 D CA 0.627 54.728 54.000 0.168 0.000 0.905 52 D CB -0.354 40.529 40.800 0.139 0.000 0.895 52 D HN 0.017 nan 8.370 nan 0.000 0.532 53 G N -0.005 108.852 108.800 0.095 0.000 2.529 53 G HA2 0.013 3.973 3.960 0.000 0.000 0.277 53 G HA3 0.013 3.973 3.960 0.000 0.000 0.277 53 G C -0.214 174.747 174.900 0.102 0.000 1.383 53 G CA -0.394 44.730 45.100 0.039 0.000 1.050 53 G HN 0.102 nan 8.290 nan 0.000 0.526 54 K N -0.758 119.667 120.400 0.041 0.000 2.234 54 K HA 0.277 4.597 4.320 0.000 0.000 0.282 54 K C -1.279 175.365 176.600 0.074 0.000 1.039 54 K CA -0.645 55.699 56.287 0.094 0.000 0.928 54 K CB 0.318 32.840 32.500 0.036 0.000 1.039 54 K HN 0.395 nan 8.250 nan 0.000 0.470 55 W N 2.192 123.418 121.300 -0.123 0.000 2.496 55 W HA 0.345 5.005 4.660 0.000 0.000 0.327 55 W C 0.552 177.042 176.519 -0.048 0.000 1.086 55 W CA -0.909 56.361 57.345 -0.125 0.000 1.222 55 W CB 0.824 30.189 29.460 -0.157 0.000 1.304 55 W HN 0.709 nan 8.180 nan 0.000 0.547 56 E N 2.003 122.304 120.200 0.169 0.000 2.223 56 E HA 0.143 4.494 4.350 0.000 0.000 0.282 56 E C 0.247 176.974 176.600 0.212 0.000 1.046 56 E CA -0.174 56.327 56.400 0.168 0.000 0.857 56 E CB 0.716 30.524 29.700 0.179 0.000 1.055 56 E HN 0.406 nan 8.360 nan 0.000 0.409 57 T N 1.337 115.984 114.554 0.155 0.000 2.907 57 T HA 0.406 4.756 4.350 0.000 0.000 0.298 57 T C -0.282 174.489 174.700 0.117 0.000 1.017 57 T CA -0.696 61.490 62.100 0.144 0.000 1.118 57 T CB 1.361 70.283 68.868 0.090 0.000 0.948 57 T HN 0.239 nan 8.240 nan 0.000 0.531 58 V N 2.786 122.773 119.914 0.122 0.000 3.120 58 V HA 0.555 4.675 4.120 0.000 0.000 0.303 58 V C -1.370 174.770 176.094 0.076 0.000 1.238 58 V CA -0.975 61.358 62.300 0.054 0.000 1.008 58 V CB 2.336 34.090 31.823 -0.114 0.000 1.064 58 V HN 1.174 nan 8.190 nan 0.000 0.434 59 E N 5.316 125.546 120.200 0.050 0.000 2.166 59 E HA 0.539 4.889 4.350 0.000 0.000 0.275 59 E C -1.175 175.445 176.600 0.033 0.000 0.941 59 E CA -0.839 55.591 56.400 0.050 0.000 0.784 59 E CB 1.948 31.664 29.700 0.026 0.000 1.115 59 E HN 0.406 nan 8.360 nan 0.000 0.399 60 I N 3.702 124.272 120.570 -0.001 0.000 2.428 60 I HA 0.243 4.413 4.170 0.000 0.000 0.289 60 I C -2.081 173.981 176.117 -0.092 0.000 1.019 60 I CA -3.216 58.035 61.300 -0.082 0.000 1.351 60 I CB 0.250 38.129 38.000 -0.201 0.000 1.412 60 I HN 0.496 nan 8.210 nan 0.000 0.513 61 P HA 0.219 nan 4.420 nan 0.000 0.274 61 P C -0.694 176.602 177.300 -0.007 0.000 1.231 61 P CA 0.154 63.195 63.100 -0.100 0.000 0.790 61 P CB 0.532 32.163 31.700 -0.116 0.000 0.951 62 H N -0.104 118.890 119.070 -0.127 0.000 3.029 62 H HA 0.484 5.040 4.556 0.000 0.000 0.358 62 H C -1.763 173.504 175.328 -0.103 0.000 1.129 62 H CA -0.389 55.602 56.048 -0.095 0.000 1.230 62 H CB 1.997 31.739 29.762 -0.034 0.000 1.827 62 H HN 0.354 nan 8.280 nan 0.000 0.530 63 T N 2.786 116.862 114.554 -0.798 0.000 2.906 63 T HA 0.339 4.689 4.350 0.000 0.000 0.295 63 T C -0.493 173.719 174.700 -0.813 0.000 1.075 63 T CA -0.588 61.054 62.100 -0.763 0.000 1.005 63 T CB 0.628 69.217 68.868 -0.465 0.000 1.136 63 T HN 0.680 nan 8.240 nan 0.000 0.498 64 W N 2.525 123.621 121.300 -0.340 0.000 3.132 64 W HA 0.472 5.132 4.660 0.000 0.000 0.364 64 W C 0.369 176.907 176.519 0.033 0.000 1.129 64 W CA -0.581 56.680 57.345 -0.141 0.000 1.815 64 W CB -0.945 28.567 29.460 0.088 0.000 1.099 64 W HN 0.574 nan 8.180 nan 0.000 0.605 65 N N 0.421 119.138 118.700 0.028 0.000 2.204 65 N HA 0.243 4.983 4.740 0.000 0.000 0.219 65 N C 1.796 177.427 175.510 0.203 0.000 1.151 65 N CA 0.371 53.532 53.050 0.185 0.000 0.867 65 N CB 0.437 38.974 38.487 0.083 0.000 1.043 65 N HN 0.175 nan 8.380 nan 0.000 0.516 66 A N 0.253 123.107 122.820 0.057 0.000 2.019 66 A HA -0.126 4.194 4.320 0.000 0.000 0.219 66 A C 2.046 179.617 177.584 -0.022 0.000 1.164 66 A CA 1.272 53.291 52.037 -0.030 0.000 0.644 66 A CB -0.164 18.732 19.000 -0.173 0.000 0.805 66 A HN 0.225 nan 8.150 nan 0.000 0.449 67 M N 0.442 120.055 119.600 0.022 0.000 2.351 67 M HA 0.015 4.495 4.480 0.000 0.000 0.250 67 M C 1.222 177.574 176.300 0.086 0.000 1.145 67 M CA 1.911 57.217 55.300 0.010 0.000 1.192 67 M CB -0.275 32.345 32.600 0.033 0.000 1.267 67 M HN 0.432 nan 8.290 nan 0.000 0.467 68 D N -0.773 119.717 120.400 0.149 0.000 2.363 68 D HA -0.112 4.528 4.640 0.000 0.000 0.226 68 D C 1.633 178.053 176.300 0.199 0.000 1.020 68 D CA 0.883 54.999 54.000 0.193 0.000 0.892 68 D CB -0.639 40.310 40.800 0.249 0.000 0.900 68 D HN 0.425 nan 8.370 nan 0.000 0.531 69 M N -0.669 119.003 119.600 0.120 0.000 2.465 69 M HA 0.120 4.600 4.480 0.000 0.000 0.249 69 M C 1.379 177.748 176.300 0.114 0.000 1.130 69 M CA 0.522 55.803 55.300 -0.032 0.000 1.067 69 M CB 0.455 32.857 32.600 -0.331 0.000 1.394 69 M HN -0.027 nan 8.290 nan 0.000 0.483 70 Q N -1.413 118.522 119.800 0.225 0.000 2.477 70 Q HA 0.106 4.446 4.340 0.000 0.000 0.252 70 Q C 1.775 178.011 176.000 0.394 0.000 0.869 70 Q CA 0.433 56.468 55.803 0.387 0.000 0.969 70 Q CB 0.550 29.546 28.738 0.429 0.000 1.144 70 Q HN 0.227 nan 8.270 nan 0.000 0.577 71 V N 1.642 121.710 119.914 0.257 0.000 2.871 71 V HA -0.074 4.046 4.120 0.000 0.000 0.256 71 V C 0.763 176.984 176.094 0.213 0.000 1.082 71 V CA 1.049 63.507 62.300 0.263 0.000 1.105 71 V CB -0.118 31.801 31.823 0.159 0.000 0.713 71 V HN 0.367 nan 8.190 nan 0.000 0.473 72 Q N -0.002 119.908 119.800 0.184 0.000 2.590 72 Q HA 0.380 4.720 4.340 0.000 0.000 0.295 72 Q C -1.186 174.906 176.000 0.153 0.000 0.973 72 Q CA -0.505 55.389 55.803 0.152 0.000 0.768 72 Q CB 2.079 30.889 28.738 0.121 0.000 1.479 72 Q HN 0.240 nan 8.270 nan 0.000 0.419 73 S N -1.146 114.629 115.700 0.126 0.000 2.608 73 S HA 0.684 5.154 4.470 0.000 0.000 0.291 73 S C 0.790 175.439 174.600 0.080 0.000 1.146 73 S CA -0.043 58.225 58.200 0.113 0.000 1.043 73 S CB 1.090 64.353 63.200 0.105 0.000 1.037 73 S HN 1.664 nan 8.310 nan 0.000 0.520 74 G N 0.200 109.047 108.800 0.080 0.000 2.356 74 G HA2 -0.171 3.789 3.960 0.000 0.000 0.296 74 G HA3 -0.171 3.789 3.960 0.000 0.000 0.296 74 G C 0.108 174.988 174.900 -0.034 0.000 1.022 74 G CA 0.379 45.475 45.100 -0.006 0.000 0.961 74 G HN 1.598 nan 8.290 nan 0.000 0.510 75 S N -0.752 114.986 115.700 0.064 0.000 2.777 75 S HA 0.600 5.070 4.470 0.000 0.000 0.140 75 S C -0.329 174.327 174.600 0.094 0.000 1.233 75 S CA -0.267 57.919 58.200 -0.023 0.000 1.157 75 S CB -0.391 62.820 63.200 0.018 0.000 1.600 75 S HN 1.387 nan 8.310 nan 0.000 0.432 76 F N 0.587 120.559 119.950 0.037 0.000 2.611 76 F HA 0.748 5.275 4.527 0.000 0.000 0.324 76 F C -0.943 174.938 175.800 0.135 0.000 1.061 76 F CA -1.679 56.375 58.000 0.090 0.000 0.954 76 F CB 0.611 39.648 39.000 0.062 0.000 1.301 76 F HN 0.270 nan 8.300 nan 0.000 0.482 77 Y N 2.496 122.939 120.300 0.239 0.000 2.383 77 Y HA 0.356 4.906 4.550 0.000 0.000 0.344 77 Y C -0.454 175.632 175.900 0.309 0.000 0.986 77 Y CA -0.878 57.294 58.100 0.121 0.000 1.175 77 Y CB 0.552 39.026 38.460 0.024 0.000 1.152 77 Y HN 0.735 nan 8.280 nan 0.000 0.511 78 E N 5.442 125.380 120.200 -0.438 0.000 2.165 78 E HA 0.762 5.112 4.350 0.000 0.000 0.266 78 E C -0.434 175.760 176.600 -0.676 0.000 0.889 78 E CA -0.842 55.374 56.400 -0.306 0.000 0.756 78 E CB 1.639 31.355 29.700 0.026 0.000 1.131 78 E HN 0.851 nan 8.360 nan 0.000 0.411 79 G N 1.577 110.016 108.800 -0.602 0.000 2.335 79 G HA2 0.465 4.425 3.960 0.000 0.000 0.291 79 G HA3 0.465 4.425 3.960 0.000 0.000 0.291 79 G C -1.369 173.475 174.900 -0.093 0.000 1.261 79 G CA -0.432 44.428 45.100 -0.399 0.000 0.871 79 G HN 0.738 nan 8.290 nan 0.000 0.491 80 A N -1.109 121.738 122.820 0.046 0.000 2.322 80 A HA 0.852 5.172 4.320 0.000 0.000 0.269 80 A C 0.595 178.191 177.584 0.020 0.000 1.094 80 A CA 0.593 52.702 52.037 0.119 0.000 0.807 80 A CB 0.786 19.912 19.000 0.211 0.000 1.047 80 A HN 2.233 nan 8.150 nan 0.000 0.487 81 G N -0.586 108.235 108.800 0.035 0.000 2.706 81 G HA2 0.564 4.524 3.960 0.000 0.000 0.297 81 G HA3 0.564 4.524 3.960 0.000 0.000 0.297 81 G C -1.727 173.235 174.900 0.104 0.000 1.403 81 G CA -0.352 44.731 45.100 -0.028 0.000 0.954 81 G HN 0.519 nan 8.290 nan 0.000 0.500 82 Y N 0.040 120.350 120.300 0.018 0.000 2.393 82 Y HA 0.585 5.135 4.550 0.000 0.000 0.341 82 Y C -0.527 175.553 175.900 0.299 0.000 0.988 82 Y CA -0.500 57.750 58.100 0.250 0.000 1.078 82 Y CB 2.222 40.823 38.460 0.234 0.000 1.203 82 Y HN 0.508 nan 8.280 nan 0.000 0.453 83 Y N 2.026 122.781 120.300 0.759 0.000 2.446 83 Y HA 0.681 5.231 4.550 0.000 0.000 0.338 83 Y C -0.033 176.392 175.900 0.874 0.000 1.055 83 Y CA -1.093 57.479 58.100 0.787 0.000 1.101 83 Y CB 1.948 40.695 38.460 0.479 0.000 1.221 83 Y HN 0.412 nan 8.280 nan 0.000 0.460 84 R N 2.920 123.994 120.500 0.957 0.000 2.533 84 R HA 0.473 4.813 4.340 0.000 0.000 0.288 84 R C -1.963 174.472 176.300 0.226 0.000 1.039 84 R CA -0.862 55.534 56.100 0.494 0.000 0.909 84 R CB 1.514 31.751 30.300 -0.106 0.000 1.195 84 R HN 0.816 nan 8.270 nan 0.000 0.438 85 K N 2.463 122.768 120.400 -0.159 0.000 2.513 85 K HA 0.286 4.606 4.320 0.000 0.000 0.251 85 K C -1.682 174.690 176.600 -0.380 0.000 0.939 85 K CA -0.531 55.403 56.287 -0.588 0.000 0.793 85 K CB 2.380 33.822 32.500 -1.764 0.000 1.241 85 K HN 0.550 nan 8.250 nan 0.000 0.431 86 T N 1.850 116.227 114.554 -0.294 0.000 2.855 86 T HA 0.448 4.798 4.350 0.000 0.000 0.281 86 T C -1.311 173.273 174.700 -0.195 0.000 1.007 86 T CA -0.357 61.642 62.100 -0.168 0.000 1.009 86 T CB 1.582 70.382 68.868 -0.114 0.000 0.983 86 T HN 0.642 nan 8.240 nan 0.000 0.455 87 Q N 3.106 122.823 119.800 -0.138 0.000 2.309 87 Q HA 0.524 4.864 4.340 0.000 0.000 0.273 87 Q C -2.160 173.649 176.000 -0.319 0.000 1.040 87 Q CA -0.686 54.952 55.803 -0.275 0.000 0.834 87 Q CB 1.553 30.078 28.738 -0.355 0.000 1.345 87 Q HN 0.742 nan 8.270 nan 0.000 0.414 88 F N 3.967 123.653 119.950 -0.441 0.000 2.404 88 F HA 0.642 5.169 4.527 0.000 0.000 0.345 88 F C -1.227 174.280 175.800 -0.489 0.000 1.110 88 F CA -0.338 57.471 58.000 -0.319 0.000 1.130 88 F CB 0.553 39.455 39.000 -0.165 0.000 1.129 88 F HN 0.537 nan 8.300 nan 0.000 0.500 89 F N 7.253 126.809 119.950 -0.657 0.000 2.427 89 F HA 0.410 4.937 4.527 0.000 0.000 0.348 89 F C -2.149 173.302 175.800 -0.582 0.000 1.125 89 F CA -2.604 55.150 58.000 -0.410 0.000 0.989 89 F CB 0.978 39.816 39.000 -0.271 0.000 1.165 89 F HN 0.302 nan 8.300 nan 0.000 0.442 90 P HA 0.091 nan 4.420 nan 0.000 0.274 90 P C 0.252 177.593 177.300 0.068 0.000 1.237 90 P CA -0.065 63.094 63.100 0.098 0.000 0.793 90 P CB 1.113 32.948 31.700 0.224 0.000 0.977 91 H N 0.597 119.694 119.070 0.044 0.000 2.456 91 H HA -0.168 4.388 4.556 0.000 0.000 0.296 91 H C 1.352 176.696 175.328 0.027 0.000 1.079 91 H CA 2.423 58.487 56.048 0.026 0.000 1.322 91 H CB -0.736 29.049 29.762 0.039 0.000 1.388 91 H HN 0.570 nan 8.280 nan 0.000 0.538 92 D N -0.529 119.964 120.400 0.156 0.000 2.384 92 D HA -0.121 4.519 4.640 0.000 0.000 0.222 92 D C 1.320 177.657 176.300 0.061 0.000 0.976 92 D CA 0.422 54.481 54.000 0.099 0.000 0.915 92 D CB -0.210 40.645 40.800 0.092 0.000 0.896 92 D HN 0.206 nan 8.370 nan 0.000 0.523 93 L N 0.424 121.671 121.223 0.040 0.000 2.554 93 L HA 0.146 4.486 4.340 0.000 0.000 0.226 93 L C 0.747 177.599 176.870 -0.030 0.000 1.137 93 L CA 0.350 55.193 54.840 0.005 0.000 0.863 93 L CB -1.159 40.895 42.059 -0.008 0.000 0.985 93 L HN 0.237 nan 8.230 nan 0.000 0.451 94 E N -0.675 119.511 120.200 -0.024 0.000 2.384 94 E HA 0.319 4.669 4.350 0.000 0.000 0.266 94 E C 1.281 177.870 176.600 -0.019 0.000 1.012 94 E CA 0.669 57.046 56.400 -0.037 0.000 0.901 94 E CB 0.262 29.953 29.700 -0.016 0.000 0.967 94 E HN 0.278 nan 8.360 nan 0.000 0.435 95 G N 3.409 112.191 108.800 -0.031 0.000 2.184 95 G HA2 -0.328 3.632 3.960 0.000 0.000 0.264 95 G HA3 -0.328 3.632 3.960 0.000 0.000 0.264 95 G C 0.211 175.101 174.900 -0.017 0.000 0.975 95 G CA 0.673 45.762 45.100 -0.019 0.000 0.642 95 G HN 0.552 nan 8.290 nan 0.000 0.536 96 K N -0.371 120.014 120.400 -0.026 0.000 2.209 96 K HA 0.725 5.045 4.320 0.000 0.000 0.238 96 K C 0.490 177.060 176.600 -0.051 0.000 1.028 96 K CA -0.716 55.560 56.287 -0.018 0.000 0.935 96 K CB 0.753 33.248 32.500 -0.007 0.000 1.162 96 K HN 0.198 nan 8.250 nan 0.000 0.485 97 R N 0.383 120.862 120.500 -0.035 0.000 2.621 97 R HA 0.444 4.784 4.340 0.000 0.000 0.292 97 R C -1.339 174.851 176.300 -0.182 0.000 0.969 97 R CA -0.758 55.263 56.100 -0.132 0.000 0.887 97 R CB 2.083 32.366 30.300 -0.028 0.000 1.180 97 R HN 0.318 nan 8.270 nan 0.000 0.450 98 V N 3.389 123.048 119.914 -0.425 0.000 2.864 98 V HA 0.742 4.862 4.120 0.000 0.000 0.314 98 V C -1.635 174.053 176.094 -0.677 0.000 1.073 98 V CA -0.592 61.494 62.300 -0.357 0.000 0.956 98 V CB 1.684 33.350 31.823 -0.262 0.000 1.023 98 V HN 0.641 nan 8.190 nan 0.000 0.435 99 F N 4.363 124.255 119.950 -0.096 0.000 2.588 99 F HA 0.663 5.190 4.527 0.000 0.000 0.310 99 F C -0.306 175.413 175.800 -0.136 0.000 1.082 99 F CA -0.651 57.301 58.000 -0.080 0.000 0.929 99 F CB 2.155 41.126 39.000 -0.049 0.000 1.254 99 F HN 0.346 nan 8.300 nan 0.000 0.455 100 L N 2.548 123.801 121.223 0.050 0.000 2.325 100 L HA 0.648 4.989 4.340 0.000 0.000 0.278 100 L C -0.412 176.403 176.870 -0.093 0.000 1.023 100 L CA -0.792 53.957 54.840 -0.152 0.000 0.811 100 L CB 2.060 43.997 42.059 -0.203 0.000 1.249 100 L HN 0.569 nan 8.230 nan 0.000 0.431 101 R N 2.506 122.858 120.500 -0.246 0.000 2.483 101 R HA 0.451 4.792 4.340 0.000 0.000 0.303 101 R C -1.739 174.362 176.300 -0.331 0.000 0.987 101 R CA -0.501 55.505 56.100 -0.156 0.000 0.881 101 R CB 1.096 31.383 30.300 -0.022 0.000 1.177 101 R HN 0.355 nan 8.270 nan 0.000 0.451 102 F N 2.604 122.303 119.950 -0.419 0.000 2.404 102 F HA 0.261 4.788 4.527 0.000 0.000 0.354 102 F C 1.398 176.914 175.800 -0.474 0.000 1.122 102 F CA -0.492 57.191 58.000 -0.528 0.000 1.080 102 F CB 1.812 40.246 39.000 -0.944 0.000 1.131 102 F HN 0.528 nan 8.300 nan 0.000 0.471 103 E N 2.187 122.330 120.200 -0.096 0.000 2.204 103 E HA 0.086 4.436 4.350 0.000 0.000 0.194 103 E C 0.761 177.257 176.600 -0.174 0.000 0.989 103 E CA 0.531 56.882 56.400 -0.081 0.000 0.824 103 E CB 0.236 29.939 29.700 0.005 0.000 0.756 103 E HN 0.795 nan 8.360 nan 0.000 0.477 104 G N -0.261 108.373 108.800 -0.276 0.000 2.658 104 G HA2 0.392 4.352 3.960 0.000 0.000 0.301 104 G HA3 0.392 4.352 3.960 0.000 0.000 0.301 104 G C -1.563 173.147 174.900 -0.317 0.000 1.481 104 G CA -0.666 44.236 45.100 -0.331 0.000 0.931 104 G HN -0.033 nan 8.290 nan 0.000 0.573 105 V N 0.700 120.606 119.914 -0.014 0.000 2.668 105 V HA 0.754 4.874 4.120 0.000 0.000 0.304 105 V C 0.640 176.831 176.094 0.162 0.000 1.071 105 V CA -0.276 62.074 62.300 0.083 0.000 0.894 105 V CB 1.974 33.864 31.823 0.111 0.000 1.008 105 V HN 1.275 nan 8.190 nan 0.000 0.425 106 G N 2.332 111.223 108.800 0.151 0.000 2.338 106 G HA2 0.564 4.524 3.960 0.000 0.000 0.295 106 G HA3 0.564 4.524 3.960 0.000 0.000 0.295 106 G C 0.437 175.351 174.900 0.025 0.000 1.132 106 G CA 0.541 45.626 45.100 -0.025 0.000 0.922 106 G HN 1.122 nan 8.290 nan 0.000 0.427 107 A N 1.663 124.537 122.820 0.090 0.000 2.027 107 A HA 0.370 4.690 4.320 0.000 0.000 0.196 107 A C 0.813 178.470 177.584 0.122 0.000 1.573 107 A CA 0.341 52.425 52.037 0.078 0.000 1.097 107 A CB 0.340 19.381 19.000 0.068 0.000 1.196 107 A HN 0.624 nan 8.150 nan 0.000 0.462 108 C N 0.618 119.983 119.300 0.108 0.000 2.411 108 C HA 0.858 5.318 4.460 0.000 0.000 0.330 108 C C 0.517 175.534 174.990 0.044 0.000 1.224 108 C CA -0.260 58.797 59.018 0.064 0.000 1.770 108 C CB 0.795 28.561 27.740 0.043 0.000 2.297 108 C HN 0.660 nan 8.230 nan 0.000 0.507 109 A N 2.668 125.447 122.820 -0.068 0.000 2.454 109 A HA 0.893 5.214 4.320 0.000 0.000 0.302 109 A C -1.195 176.299 177.584 -0.151 0.000 1.079 109 A CA -0.535 51.440 52.037 -0.103 0.000 0.731 109 A CB 1.097 19.982 19.000 -0.192 0.000 1.299 109 A HN 0.865 nan 8.150 nan 0.000 0.413 110 E N 0.333 120.509 120.200 -0.041 0.000 2.278 110 E HA 0.497 4.847 4.350 0.000 0.000 0.272 110 E C -1.228 175.363 176.600 -0.015 0.000 0.890 110 E CA -0.885 55.471 56.400 -0.074 0.000 0.770 110 E CB 2.330 32.056 29.700 0.043 0.000 1.212 110 E HN 0.814 nan 8.360 nan 0.000 0.415 111 V N 0.577 120.402 119.914 -0.148 0.000 2.604 111 V HA 0.631 4.751 4.120 0.000 0.000 0.305 111 V C -1.502 174.511 176.094 -0.135 0.000 1.043 111 V CA -0.461 61.881 62.300 0.069 0.000 0.888 111 V CB 0.598 32.561 31.823 0.234 0.000 0.995 111 V HN 0.634 nan 8.190 nan 0.000 0.429 112 Y N 3.766 124.219 120.300 0.255 0.000 2.429 112 Y HA 0.739 5.289 4.550 0.000 0.000 0.342 112 Y C 0.191 176.215 175.900 0.207 0.000 1.004 112 Y CA -0.918 57.303 58.100 0.200 0.000 1.075 112 Y CB 2.365 40.937 38.460 0.187 0.000 1.214 112 Y HN 0.794 nan 8.280 nan 0.000 0.455 113 V N 0.677 120.756 119.914 0.274 0.000 2.378 113 V HA 0.460 4.580 4.120 0.000 0.000 0.288 113 V C -0.494 175.697 176.094 0.160 0.000 1.016 113 V CA -1.038 61.383 62.300 0.203 0.000 0.840 113 V CB 0.670 32.560 31.823 0.112 0.000 0.994 113 V HN 1.010 nan 8.190 nan 0.000 0.431 114 N N 4.386 123.180 118.700 0.157 0.000 2.725 114 N HA -0.165 4.575 4.740 0.000 0.000 0.251 114 N C 0.961 176.537 175.510 0.112 0.000 1.031 114 N CA 0.721 53.837 53.050 0.110 0.000 0.720 114 N CB -1.182 37.347 38.487 0.070 0.000 0.930 114 N HN 2.002 nan 8.380 nan 0.000 0.543 115 G N -0.661 108.234 108.800 0.158 0.000 2.249 115 G HA2 -0.363 3.597 3.960 0.000 0.000 0.273 115 G HA3 -0.363 3.597 3.960 0.000 0.000 0.273 115 G C -0.211 174.815 174.900 0.209 0.000 1.036 115 G CA 0.893 46.071 45.100 0.131 0.000 0.824 115 G HN 0.507 nan 8.290 nan 0.000 0.504 116 K N -0.839 119.722 120.400 0.267 0.000 2.397 116 K HA 0.583 4.903 4.320 0.000 0.000 0.253 116 K C -0.061 176.659 176.600 0.200 0.000 0.932 116 K CA -1.162 55.254 56.287 0.214 0.000 0.795 116 K CB 2.108 34.671 32.500 0.106 0.000 1.159 116 K HN 0.132 nan 8.250 nan 0.000 0.424 117 L N 3.387 124.677 121.223 0.113 0.000 2.530 117 L HA 0.093 4.433 4.340 0.000 0.000 0.273 117 L C 0.745 177.555 176.870 -0.100 0.000 1.141 117 L CA 0.811 55.538 54.840 -0.188 0.000 0.905 117 L CB 0.336 42.295 42.059 -0.166 0.000 1.202 117 L HN 0.904 nan 8.230 nan 0.000 0.473 118 A N 3.909 126.670 122.820 -0.098 0.000 1.903 118 A HA 0.573 4.893 4.320 0.000 0.000 0.213 118 A C 0.995 178.585 177.584 0.011 0.000 1.185 118 A CA 0.945 52.980 52.037 -0.002 0.000 0.628 118 A CB -0.478 18.561 19.000 0.065 0.000 0.830 118 A HN 0.841 nan 8.150 nan 0.000 0.446 119 G N -3.042 105.746 108.800 -0.020 0.000 2.600 119 G HA2 0.521 4.482 3.960 0.000 0.000 0.293 119 G HA3 0.521 4.482 3.960 0.000 0.000 0.293 119 G C -1.392 173.451 174.900 -0.094 0.000 1.408 119 G CA 0.084 45.189 45.100 0.008 0.000 0.782 119 G HN 0.168 nan 8.290 nan 0.000 0.482 120 T N -0.029 114.458 114.554 -0.112 0.000 3.041 120 T HA 0.583 4.933 4.350 0.000 0.000 0.321 120 T C -1.673 172.884 174.700 -0.238 0.000 1.184 120 T CA -0.513 61.476 62.100 -0.185 0.000 1.050 120 T CB 1.582 70.381 68.868 -0.115 0.000 1.159 120 T HN 0.697 nan 8.240 nan 0.000 0.469 121 H N 1.983 120.759 119.070 -0.489 0.000 2.930 121 H HA 0.505 5.061 4.556 0.000 0.000 0.371 121 H C -1.419 173.754 175.328 -0.259 0.000 1.169 121 H CA -0.664 55.098 56.048 -0.476 0.000 1.157 121 H CB 1.828 30.956 29.762 -1.057 0.000 1.789 121 H HN 0.449 nan 8.280 nan 0.000 0.547 122 K N 2.074 122.071 120.400 -0.672 0.000 2.502 122 K HA 0.489 4.809 4.320 0.000 0.000 0.254 122 K C -1.058 175.416 176.600 -0.210 0.000 0.947 122 K CA -0.488 55.633 56.287 -0.276 0.000 0.834 122 K CB 2.066 34.467 32.500 -0.165 0.000 1.112 122 K HN 0.920 nan 8.250 nan 0.000 0.427 123 G N 0.903 109.778 108.800 0.125 0.000 3.239 123 G HA2 -0.017 3.943 3.960 0.000 0.000 0.666 123 G HA3 -0.017 3.943 3.960 0.000 0.000 0.666 123 G C 0.161 175.296 174.900 0.392 0.000 1.313 123 G CA -0.609 44.666 45.100 0.291 0.000 1.001 123 G HN 0.679 nan 8.290 nan 0.000 0.573 124 G N 0.036 108.957 108.800 0.201 0.000 3.327 124 G HA2 0.389 4.349 3.960 0.000 0.000 0.240 124 G HA3 0.389 4.349 3.960 0.000 0.000 0.240 124 G C 0.548 175.270 174.900 -0.297 0.000 1.222 124 G CA 0.621 45.672 45.100 -0.083 0.000 0.871 124 G HN 0.694 nan 8.290 nan 0.000 0.525 125 Y N 0.190 120.683 120.300 0.320 0.000 2.610 125 Y HA 0.246 4.796 4.550 0.000 0.000 0.254 125 Y C 1.089 177.141 175.900 0.253 0.000 1.110 125 Y CA -0.531 57.753 58.100 0.306 0.000 1.238 125 Y CB 0.587 39.253 38.460 0.342 0.000 1.322 125 Y HN 0.206 nan 8.280 nan 0.000 0.547 126 S N 0.427 116.333 115.700 0.344 0.000 2.532 126 S HA 0.844 5.314 4.470 0.000 0.000 0.301 126 S C -0.003 174.652 174.600 0.091 0.000 1.083 126 S CA -0.834 57.518 58.200 0.254 0.000 1.025 126 S CB 2.065 65.470 63.200 0.343 0.000 1.056 126 S HN 0.218 nan 8.310 nan 0.000 0.494 127 A N 1.741 124.598 122.820 0.061 0.000 2.466 127 A HA 0.616 4.937 4.320 0.000 0.000 0.238 127 A C -0.125 177.465 177.584 0.010 0.000 1.074 127 A CA -0.362 51.646 52.037 -0.049 0.000 0.774 127 A CB -0.533 18.455 19.000 -0.020 0.000 1.015 127 A HN 1.201 nan 8.150 nan 0.000 0.498 128 F N -1.473 118.447 119.950 -0.049 0.000 2.650 128 F HA 0.890 5.417 4.527 0.000 0.000 0.320 128 F C -0.154 175.746 175.800 0.166 0.000 1.091 128 F CA -0.858 57.166 58.000 0.040 0.000 0.962 128 F CB 1.439 40.432 39.000 -0.012 0.000 1.363 128 F HN 0.828 nan 8.300 nan 0.000 0.482 129 A N 0.220 123.250 122.820 0.350 0.000 2.572 129 A HA 0.865 5.185 4.320 0.000 0.000 0.295 129 A C -1.444 176.349 177.584 0.349 0.000 1.072 129 A CA -0.495 51.699 52.037 0.262 0.000 0.691 129 A CB 1.111 20.196 19.000 0.141 0.000 1.291 129 A HN 1.709 nan 8.150 nan 0.000 0.404 130 C N -0.086 119.419 119.300 0.341 0.000 2.985 130 C HA 0.728 5.188 4.460 0.000 0.000 0.332 130 C C -0.423 174.713 174.990 0.243 0.000 1.164 130 C CA -0.770 58.427 59.018 0.299 0.000 1.347 130 C CB 0.627 28.516 27.740 0.249 0.000 1.764 130 C HN 1.055 nan 8.230 nan 0.000 0.489 131 E N 1.481 121.778 120.200 0.162 0.000 2.299 131 E HA 0.322 4.672 4.350 0.000 0.000 0.272 131 E C 0.809 177.281 176.600 -0.212 0.000 1.043 131 E CA -0.193 56.033 56.400 -0.290 0.000 0.895 131 E CB 0.481 29.994 29.700 -0.313 0.000 1.011 131 E HN 0.780 nan 8.360 nan 0.000 0.432 132 I N 2.147 122.548 120.570 -0.283 0.000 4.181 132 I HA 0.323 4.493 4.170 0.000 0.000 0.331 132 I C 1.554 177.503 176.117 -0.280 0.000 1.312 132 I CA 0.136 61.316 61.300 -0.200 0.000 1.146 132 I CB 0.158 38.071 38.000 -0.146 0.000 1.074 132 I HN 0.641 nan 8.210 nan 0.000 0.402 133 G N 2.823 111.393 108.800 -0.383 0.000 2.681 133 G HA2 -0.436 3.524 3.960 0.000 0.000 0.220 133 G HA3 -0.436 3.524 3.960 0.000 0.000 0.220 133 G C 1.646 176.387 174.900 -0.264 0.000 1.210 133 G CA 2.571 47.454 45.100 -0.362 0.000 0.783 133 G HN 0.562 nan 8.290 nan 0.000 0.609 134 T N -1.539 112.890 114.554 -0.208 0.000 3.077 134 T HA 0.361 4.711 4.350 0.000 0.000 0.269 134 T C 1.969 176.600 174.700 -0.115 0.000 1.146 134 T CA 1.611 63.626 62.100 -0.142 0.000 1.091 134 T CB -0.043 68.761 68.868 -0.106 0.000 0.892 134 T HN 0.525 nan 8.240 nan 0.000 0.533 135 A N 0.180 122.924 122.820 -0.126 0.000 2.343 135 A HA 0.571 4.891 4.320 0.000 0.000 0.223 135 A C 0.862 178.383 177.584 -0.106 0.000 1.214 135 A CA -0.476 51.510 52.037 -0.086 0.000 0.900 135 A CB -0.024 18.948 19.000 -0.048 0.000 0.942 135 A HN 0.526 nan 8.150 nan 0.000 0.507 136 L N 0.423 121.534 121.223 -0.186 0.000 2.452 136 L HA 0.189 4.529 4.340 0.000 0.000 0.267 136 L C 0.597 177.370 176.870 -0.161 0.000 1.188 136 L CA -0.112 54.590 54.840 -0.230 0.000 0.821 136 L CB 0.765 42.556 42.059 -0.446 0.000 1.102 136 L HN 0.281 nan 8.230 nan 0.000 0.470 137 K N 3.664 123.993 120.400 -0.118 0.000 2.464 137 K HA 0.435 4.755 4.320 0.000 0.000 0.252 137 K C -0.953 175.559 176.600 -0.146 0.000 1.000 137 K CA -0.540 55.685 56.287 -0.104 0.000 0.951 137 K CB 0.662 33.133 32.500 -0.048 0.000 1.183 137 K HN 0.485 nan 8.250 nan 0.000 0.445 138 L N 2.781 123.867 121.223 -0.228 0.000 2.452 138 L HA 0.221 4.561 4.340 0.000 0.000 0.267 138 L C 1.213 177.840 176.870 -0.405 0.000 1.188 138 L CA 0.771 55.408 54.840 -0.339 0.000 0.821 138 L CB 0.665 42.465 42.059 -0.432 0.000 1.102 138 L HN 1.096 nan 8.230 nan 0.000 0.470 139 G N 1.654 110.223 108.800 -0.385 0.000 2.198 139 G HA2 -0.098 3.862 3.960 0.000 0.000 0.260 139 G HA3 -0.098 3.862 3.960 0.000 0.000 0.260 139 G C -0.003 174.871 174.900 -0.044 0.000 1.025 139 G CA 0.309 45.394 45.100 -0.024 0.000 0.769 139 G HN 1.065 nan 8.290 nan 0.000 0.507 140 A N -1.203 121.337 122.820 -0.466 0.000 2.524 140 A HA 0.856 5.176 4.320 0.000 0.000 0.289 140 A C -0.333 177.166 177.584 -0.141 0.000 1.248 140 A CA -0.549 51.447 52.037 -0.068 0.000 0.712 140 A CB 0.929 19.929 19.000 0.001 0.000 1.312 140 A HN 0.320 nan 8.150 nan 0.000 0.441 141 E N 1.147 121.440 120.200 0.156 0.000 2.249 141 E HA 0.358 4.708 4.350 0.000 0.000 0.280 141 E C -1.021 175.632 176.600 0.089 0.000 1.016 141 E CA -0.544 55.943 56.400 0.144 0.000 0.830 141 E CB 1.111 30.900 29.700 0.148 0.000 1.081 141 E HN 0.529 nan 8.360 nan 0.000 0.395 142 N N 1.972 120.746 118.700 0.122 0.000 2.292 142 N HA 0.188 4.928 4.740 0.000 0.000 0.303 142 N C -1.062 174.538 175.510 0.150 0.000 1.140 142 N CA -0.520 52.636 53.050 0.177 0.000 0.788 142 N CB 2.491 41.177 38.487 0.332 0.000 1.361 142 N HN 0.472 nan 8.380 nan 0.000 0.489 143 E N 2.293 122.573 120.200 0.134 0.000 2.191 143 E HA 0.279 4.629 4.350 0.000 0.000 0.263 143 E C -1.010 175.699 176.600 0.182 0.000 0.881 143 E CA -0.660 55.805 56.400 0.108 0.000 0.757 143 E CB 0.915 30.657 29.700 0.069 0.000 1.147 143 E HN 0.366 nan 8.360 nan 0.000 0.414 144 I N 5.623 126.313 120.570 0.201 0.000 2.353 144 I HA 0.403 4.573 4.170 0.000 0.000 0.293 144 I C 0.260 176.643 176.117 0.443 0.000 0.992 144 I CA -0.837 60.670 61.300 0.346 0.000 1.268 144 I CB 0.787 39.053 38.000 0.443 0.000 1.387 144 I HN 0.556 nan 8.210 nan 0.000 0.478 145 I N 5.861 126.763 120.570 0.553 0.000 2.533 145 I HA 0.448 4.618 4.170 0.000 0.000 0.290 145 I C -0.752 175.812 176.117 0.746 0.000 1.056 145 I CA -0.864 60.833 61.300 0.663 0.000 1.057 145 I CB 2.554 40.891 38.000 0.562 0.000 1.240 145 I HN 0.099 nan 8.210 nan 0.000 0.423 146 V N 6.023 126.398 119.914 0.769 0.000 2.448 146 V HA 0.376 4.496 4.120 0.000 0.000 0.295 146 V C -0.001 176.441 176.094 0.580 0.000 1.025 146 V CA -0.802 61.843 62.300 0.575 0.000 0.859 146 V CB 1.978 34.008 31.823 0.344 0.000 0.988 146 V HN 0.555 nan 8.190 nan 0.000 0.431 147 K N 3.276 123.924 120.400 0.413 0.000 2.211 147 K HA 0.785 5.105 4.320 0.000 0.000 0.275 147 K C -0.421 176.282 176.600 0.171 0.000 1.024 147 K CA -0.152 56.198 56.287 0.105 0.000 0.887 147 K CB 1.770 34.297 32.500 0.043 0.000 1.084 147 K HN 0.839 nan 8.250 nan 0.000 0.463 148 A N 3.351 126.319 122.820 0.247 0.000 2.365 148 A HA 0.495 4.815 4.320 0.000 0.000 0.318 148 A C -1.257 176.556 177.584 0.382 0.000 1.091 148 A CA -0.620 51.640 52.037 0.371 0.000 0.763 148 A CB 1.239 20.622 19.000 0.639 0.000 1.248 148 A HN 0.681 nan 8.150 nan 0.000 0.442 149 D N 1.027 121.617 120.400 0.318 0.000 2.970 149 D HA 0.218 4.858 4.640 0.000 0.000 0.230 149 D C -1.132 175.317 176.300 0.248 0.000 1.276 149 D CA -0.266 53.901 54.000 0.278 0.000 0.910 149 D CB 1.383 42.270 40.800 0.146 0.000 1.590 149 D HN 0.536 nan 8.370 nan 0.000 0.551 150 N N 2.944 121.820 118.700 0.293 0.000 2.480 150 N HA 0.042 4.782 4.740 0.000 0.000 0.281 150 N C -0.430 175.154 175.510 0.122 0.000 1.381 150 N CA -0.485 52.676 53.050 0.186 0.000 0.903 150 N CB 0.515 39.102 38.487 0.167 0.000 1.274 150 N HN 0.131 nan 8.380 nan 0.000 0.505 151 K N 1.104 121.551 120.400 0.077 0.000 2.234 151 K HA 0.406 4.726 4.320 0.000 0.000 0.282 151 K C -0.234 176.394 176.600 0.047 0.000 1.039 151 K CA -0.272 56.033 56.287 0.031 0.000 0.928 151 K CB 1.465 33.962 32.500 -0.006 0.000 1.039 151 K HN 0.362 nan 8.250 nan 0.000 0.470 152 A N 4.742 127.590 122.820 0.047 0.000 2.483 152 A HA 0.236 4.556 4.320 0.000 0.000 0.238 152 A C -0.329 177.278 177.584 0.039 0.000 1.070 152 A CA 0.120 52.187 52.037 0.050 0.000 0.770 152 A CB 0.222 19.250 19.000 0.046 0.000 1.008 152 A HN 0.817 nan 8.150 nan 0.000 0.497 153 R N 1.889 122.418 120.500 0.049 0.000 2.774 153 R HA 0.486 4.826 4.340 0.000 0.000 0.272 153 R C -2.513 173.824 176.300 0.061 0.000 1.000 153 R CA -1.662 54.463 56.100 0.043 0.000 0.906 153 R CB 1.077 31.399 30.300 0.036 0.000 1.227 153 R HN 0.402 nan 8.270 nan 0.000 0.468 154 P HA -0.087 nan 4.420 nan 0.000 0.241 154 P C -0.291 177.104 177.300 0.158 0.000 1.191 154 P CA 0.994 64.165 63.100 0.119 0.000 0.771 154 P CB 0.239 32.032 31.700 0.154 0.000 0.929 155 D N -0.889 119.577 120.400 0.112 0.000 2.395 155 D HA 0.072 4.712 4.640 0.000 0.000 0.213 155 D C 0.021 176.380 176.300 0.099 0.000 1.110 155 D CA -0.256 53.817 54.000 0.121 0.000 0.835 155 D CB 0.203 41.047 40.800 0.073 0.000 0.965 155 D HN -0.028 nan 8.370 nan 0.000 0.505 156 V N 2.023 121.994 119.914 0.096 0.000 2.638 156 V HA 0.356 4.476 4.120 0.000 0.000 0.306 156 V C 0.174 176.342 176.094 0.124 0.000 1.052 156 V CA -1.205 61.155 62.300 0.100 0.000 0.885 156 V CB 2.013 33.887 31.823 0.085 0.000 0.999 156 V HN 0.148 nan 8.190 nan 0.000 0.424 157 I N 3.067 123.727 120.570 0.150 0.000 2.440 157 I HA 0.678 4.848 4.170 0.000 0.000 0.294 157 I C -2.354 173.907 176.117 0.239 0.000 0.995 157 I CA -2.225 59.178 61.300 0.173 0.000 1.306 157 I CB 1.468 39.574 38.000 0.177 0.000 1.407 157 I HN 0.381 nan 8.210 nan 0.000 0.501 158 P HA 0.042 nan 4.420 nan 0.000 0.278 158 P C 0.807 178.161 177.300 0.091 0.000 1.238 158 P CA -0.419 62.769 63.100 0.146 0.000 0.794 158 P CB 1.587 33.337 31.700 0.084 0.000 0.955 159 V N -0.906 119.050 119.914 0.069 0.000 3.041 159 V HA -0.017 4.103 4.120 0.000 0.000 0.260 159 V C 0.453 176.571 176.094 0.039 0.000 1.105 159 V CA 1.240 63.578 62.300 0.063 0.000 1.125 159 V CB -1.644 30.221 31.823 0.069 0.000 0.730 159 V HN 0.691 nan 8.190 nan 0.000 0.479 160 N N -0.907 117.798 118.700 0.008 0.000 2.902 160 N HA 0.338 5.079 4.740 0.000 0.000 0.268 160 N C -0.265 175.200 175.510 -0.074 0.000 1.450 160 N CA -0.833 52.217 53.050 -0.001 0.000 0.819 160 N CB 0.640 39.141 38.487 0.024 0.000 1.540 160 N HN 0.063 nan 8.380 nan 0.000 0.545 161 Q N -0.552 119.223 119.800 -0.041 0.000 2.201 161 Q HA 0.291 4.631 4.340 0.000 0.000 0.236 161 Q C -0.132 175.823 176.000 -0.075 0.000 0.857 161 Q CA -0.182 55.546 55.803 -0.124 0.000 1.025 161 Q CB -0.362 28.366 28.738 -0.018 0.000 1.124 161 Q HN 0.630 nan 8.270 nan 0.000 0.473 162 N N 0.361 119.057 118.700 -0.007 0.000 2.062 162 N HA -0.114 4.626 4.740 0.000 0.000 0.191 162 N C 1.168 176.807 175.510 0.215 0.000 1.042 162 N CA 0.708 53.859 53.050 0.168 0.000 0.845 162 N CB 0.206 38.819 38.487 0.211 0.000 1.024 162 N HN 0.071 nan 8.380 nan 0.000 0.424 163 L N 0.056 121.355 121.223 0.126 0.000 2.217 163 L HA 0.109 4.449 4.340 0.000 0.000 0.211 163 L C -0.002 177.220 176.870 0.587 0.000 1.107 163 L CA 1.227 56.292 54.840 0.375 0.000 0.783 163 L CB -0.869 41.476 42.059 0.476 0.000 0.919 163 L HN 0.170 nan 8.230 nan 0.000 0.442 164 F N -4.195 115.904 119.950 0.248 0.000 2.944 164 F HA 0.599 5.126 4.527 0.000 0.000 0.324 164 F C -0.122 175.681 175.800 0.006 0.000 1.151 164 F CA -1.353 56.743 58.000 0.160 0.000 0.883 164 F CB 0.328 39.450 39.000 0.203 0.000 1.341 164 F HN -0.281 nan 8.300 nan 0.000 0.456 165 G N 0.306 109.092 108.800 -0.023 0.000 2.416 165 G HA2 0.561 4.521 3.960 0.000 0.000 0.329 165 G HA3 0.561 4.521 3.960 0.000 0.000 0.329 165 G C -1.558 173.215 174.900 -0.212 0.000 1.173 165 G CA -1.071 43.822 45.100 -0.345 0.000 0.929 165 G HN 0.741 nan 8.290 nan 0.000 0.475 166 V N 3.334 123.153 119.914 -0.159 0.000 2.223 166 V HA 0.080 4.200 4.120 0.000 0.000 0.249 166 V C -0.253 175.703 176.094 -0.230 0.000 1.233 166 V CA -0.713 61.544 62.300 -0.072 0.000 1.131 166 V CB -1.676 30.156 31.823 0.015 0.000 1.298 166 V HN 0.564 nan 8.190 nan 0.000 0.498 167 Y N 2.115 122.247 120.300 -0.281 0.000 2.996 167 Y HA 0.132 4.683 4.550 0.000 0.000 0.347 167 Y C 1.434 177.004 175.900 -0.550 0.000 1.276 167 Y CA 1.231 59.090 58.100 -0.400 0.000 1.601 167 Y CB 0.264 38.458 38.460 -0.442 0.000 1.193 167 Y HN 0.609 nan 8.280 nan 0.000 0.582 168 G N 1.023 109.467 108.800 -0.593 0.000 2.462 168 G HA2 0.608 4.568 3.960 0.000 0.000 0.319 168 G HA3 0.608 4.568 3.960 0.000 0.000 0.319 168 G C 0.078 174.175 174.900 -1.338 0.000 1.171 168 G CA -0.060 44.495 45.100 -0.908 0.000 0.920 168 G HN 1.132 nan 8.290 nan 0.000 0.499 169 G N -0.966 107.345 108.800 -0.816 0.000 2.498 169 G HA2 -0.073 3.887 3.960 0.000 0.000 0.651 169 G HA3 -0.073 3.887 3.960 0.000 0.000 0.651 169 G C -0.248 174.639 174.900 -0.020 0.000 1.284 169 G CA -0.489 44.490 45.100 -0.201 0.000 0.950 169 G HN 0.972 nan 8.290 nan 0.000 0.511 170 I N 2.003 122.482 120.570 -0.152 0.000 2.213 170 I HA 0.178 4.348 4.170 0.000 0.000 0.295 170 I C 1.281 177.275 176.117 -0.206 0.000 1.172 170 I CA -0.229 60.880 61.300 -0.317 0.000 1.443 170 I CB -0.407 37.164 38.000 -0.715 0.000 1.491 170 I HN 0.572 nan 8.210 nan 0.000 0.652 171 Y N 3.058 123.228 120.300 -0.217 0.000 2.471 171 Y HA 0.394 4.944 4.550 0.000 0.000 0.286 171 Y C 0.559 176.367 175.900 -0.153 0.000 1.188 171 Y CA -0.664 57.312 58.100 -0.207 0.000 1.286 171 Y CB -0.194 38.123 38.460 -0.240 0.000 1.072 171 Y HN 0.233 nan 8.280 nan 0.000 0.517 172 R N 0.408 120.581 120.500 -0.545 0.000 2.837 172 R HA 0.423 4.763 4.340 0.000 0.000 0.271 172 R C -2.838 173.301 176.300 -0.268 0.000 0.993 172 R CA -2.355 53.514 56.100 -0.384 0.000 0.931 172 R CB 1.257 31.281 30.300 -0.460 0.000 1.206 172 R HN -0.049 nan 8.270 nan 0.000 0.474 173 P HA -0.027 nan 4.420 nan 0.000 0.270 173 P C -0.814 176.252 177.300 -0.391 0.000 1.221 173 P CA -0.053 62.853 63.100 -0.323 0.000 0.788 173 P CB 0.500 32.007 31.700 -0.322 0.000 0.904 174 V N 0.805 120.379 119.914 -0.566 0.000 2.769 174 V HA 0.503 4.623 4.120 0.000 0.000 0.312 174 V C -0.924 174.736 176.094 -0.723 0.000 1.061 174 V CA -0.422 61.563 62.300 -0.524 0.000 0.931 174 V CB 1.782 33.425 31.823 -0.299 0.000 1.010 174 V HN 0.562 nan 8.190 nan 0.000 0.433 175 W N 3.171 124.349 121.300 -0.203 0.000 2.785 175 W HA 0.733 5.393 4.660 0.000 0.000 0.333 175 W C -0.599 175.777 176.519 -0.238 0.000 1.062 175 W CA -0.473 56.798 57.345 -0.124 0.000 1.233 175 W CB 1.706 31.098 29.460 -0.113 0.000 1.413 175 W HN 0.435 nan 8.180 nan 0.000 0.489 176 L N 4.693 125.948 121.223 0.052 0.000 2.295 176 L HA 0.704 5.044 4.340 0.000 0.000 0.285 176 L C -0.930 175.991 176.870 0.084 0.000 1.035 176 L CA -0.601 54.177 54.840 -0.102 0.000 0.806 176 L CB 0.731 42.719 42.059 -0.118 0.000 1.214 176 L HN 0.478 nan 8.230 nan 0.000 0.426 177 I N 5.078 125.699 120.570 0.085 0.000 2.545 177 I HA 0.438 4.609 4.170 0.000 0.000 0.292 177 I C -0.941 175.279 176.117 0.172 0.000 1.040 177 I CA -0.771 60.607 61.300 0.130 0.000 1.068 177 I CB 2.282 40.350 38.000 0.114 0.000 1.251 177 I HN 0.266 nan 8.210 nan 0.000 0.424 178 V N 4.693 124.688 119.914 0.134 0.000 2.588 178 V HA 0.655 4.775 4.120 0.000 0.000 0.304 178 V C -0.209 175.954 176.094 0.114 0.000 1.042 178 V CA -0.251 62.123 62.300 0.122 0.000 0.877 178 V CB 2.077 33.953 31.823 0.088 0.000 0.996 178 V HN 0.834 nan 8.190 nan 0.000 0.425 179 T N 2.324 116.959 114.554 0.134 0.000 2.812 179 T HA 0.472 4.822 4.350 0.000 0.000 0.294 179 T C -0.744 174.008 174.700 0.087 0.000 1.159 179 T CA -0.758 61.411 62.100 0.116 0.000 1.008 179 T CB 2.140 71.118 68.868 0.183 0.000 1.289 179 T HN 0.607 nan 8.240 nan 0.000 0.514 180 E N 0.804 121.044 120.200 0.065 0.000 2.622 180 E HA 0.191 4.541 4.350 0.000 0.000 0.255 180 E C 1.038 177.672 176.600 0.056 0.000 1.313 180 E CA -0.468 55.960 56.400 0.046 0.000 1.011 180 E CB 0.381 30.098 29.700 0.027 0.000 1.173 180 E HN 0.493 nan 8.360 nan 0.000 0.601 181 Q N 0.363 120.184 119.800 0.036 0.000 2.112 181 Q HA -0.097 4.243 4.340 0.000 0.000 0.206 181 Q C -0.175 175.856 176.000 0.051 0.000 0.987 181 Q CA 1.483 57.308 55.803 0.037 0.000 0.858 181 Q CB 0.021 28.771 28.738 0.020 0.000 0.905 181 Q HN 0.368 nan 8.270 nan 0.000 0.420 182 N N 0.927 119.651 118.700 0.040 0.000 2.372 182 N HA 0.331 5.071 4.740 0.000 0.000 0.291 182 N C -1.016 174.516 175.510 0.037 0.000 1.024 182 N CA -0.365 52.709 53.050 0.039 0.000 0.873 182 N CB 1.357 39.853 38.487 0.015 0.000 1.206 182 N HN 0.197 nan 8.380 nan 0.000 0.486 183 N N 0.281 119.006 118.700 0.041 0.000 3.039 183 N HA 0.393 5.133 4.740 0.000 0.000 0.257 183 N C -1.434 174.080 175.510 0.005 0.000 1.497 183 N CA -0.735 52.325 53.050 0.017 0.000 0.861 183 N CB 0.790 39.285 38.487 0.013 0.000 1.479 183 N HN 0.311 nan 8.380 nan 0.000 0.547 184 I N 0.693 121.249 120.570 -0.023 0.000 2.379 184 I HA 0.129 4.299 4.170 0.000 0.000 0.290 184 I C 0.814 176.883 176.117 -0.081 0.000 1.063 184 I CA -0.313 60.968 61.300 -0.032 0.000 1.351 184 I CB 0.694 38.667 38.000 -0.046 0.000 1.410 184 I HN 0.583 nan 8.210 nan 0.000 0.505 185 T N 5.508 120.028 114.554 -0.058 0.000 2.905 185 T HA -0.030 4.320 4.350 0.000 0.000 0.299 185 T C 0.879 175.459 174.700 -0.200 0.000 1.024 185 T CA 0.065 62.103 62.100 -0.103 0.000 1.151 185 T CB 0.598 69.448 68.868 -0.031 0.000 0.987 185 T HN 0.493 nan 8.240 nan 0.000 0.535 186 V N 4.002 123.679 119.914 -0.394 0.000 3.647 186 V HA 0.302 4.422 4.120 0.000 0.000 0.279 186 V C 1.440 177.350 176.094 -0.307 0.000 1.314 186 V CA 1.241 63.264 62.300 -0.461 0.000 1.125 186 V CB -0.127 31.216 31.823 -0.800 0.000 0.907 186 V HN 0.986 nan 8.190 nan 0.000 0.434 187 T N 0.145 114.592 114.554 -0.179 0.000 3.145 187 T HA 0.213 4.563 4.350 0.000 0.000 0.281 187 T C 0.190 174.911 174.700 0.036 0.000 1.003 187 T CA 0.113 62.201 62.100 -0.021 0.000 0.901 187 T CB -0.155 68.762 68.868 0.081 0.000 1.112 187 T HN 0.608 nan 8.240 nan 0.000 0.535 188 D N 0.979 121.391 120.400 0.019 0.000 2.494 188 D HA 0.183 4.823 4.640 0.000 0.000 0.217 188 D C 0.590 176.937 176.300 0.077 0.000 1.153 188 D CA -0.355 53.678 54.000 0.056 0.000 0.954 188 D CB -0.928 39.918 40.800 0.075 0.000 1.034 188 D HN 0.201 nan 8.370 nan 0.000 0.518 189 C N 3.245 122.600 119.300 0.091 0.000 4.397 189 C HA -0.162 4.298 4.460 0.000 0.000 0.291 189 C C 1.486 176.542 174.990 0.111 0.000 1.408 189 C CA 0.609 59.697 59.018 0.116 0.000 1.971 189 C CB -2.531 25.270 27.740 0.102 0.000 1.258 189 C HN 1.087 nan 8.230 nan 0.000 0.795 190 A N -1.225 121.644 122.820 0.081 0.000 2.861 190 A HA -0.168 4.152 4.320 0.000 0.000 0.261 190 A C 0.899 178.486 177.584 0.005 0.000 1.351 190 A CA 1.898 53.960 52.037 0.042 0.000 0.904 190 A CB -2.110 16.938 19.000 0.079 0.000 1.076 190 A HN 2.347 nan 8.150 nan 0.000 0.729 191 S N -1.217 114.487 115.700 0.006 0.000 2.617 191 S HA 0.531 5.001 4.470 0.000 0.000 0.259 191 S C -0.923 173.595 174.600 -0.136 0.000 1.301 191 S CA -0.452 57.722 58.200 -0.043 0.000 0.984 191 S CB 0.211 63.401 63.200 -0.016 0.000 0.954 191 S HN 0.176 nan 8.310 nan 0.000 0.572 192 P HA 0.161 nan 4.420 nan 0.000 0.226 192 P C 1.078 178.225 177.300 -0.255 0.000 1.153 192 P CA 1.476 64.442 63.100 -0.224 0.000 0.777 192 P CB -0.486 31.076 31.700 -0.229 0.000 0.794 193 G N -1.447 107.145 108.800 -0.347 0.000 2.175 193 G HA2 -0.182 3.779 3.960 0.000 0.000 0.244 193 G HA3 -0.182 3.779 3.960 0.000 0.000 0.244 193 G C 0.037 174.767 174.900 -0.284 0.000 0.982 193 G CA 0.081 45.034 45.100 -0.245 0.000 0.641 193 G HN 0.606 nan 8.290 nan 0.000 0.527 194 V N -0.810 118.827 119.914 -0.461 0.000 2.735 194 V HA 0.921 5.041 4.120 0.000 0.000 0.310 194 V C -1.075 174.709 176.094 -0.517 0.000 1.061 194 V CA -1.539 60.577 62.300 -0.308 0.000 0.913 194 V CB 1.796 33.539 31.823 -0.134 0.000 1.005 194 V HN 0.504 nan 8.190 nan 0.000 0.428 195 Y N 5.053 125.346 120.300 -0.013 0.000 2.406 195 Y HA 0.703 5.253 4.550 0.000 0.000 0.340 195 Y C -0.001 175.980 175.900 0.135 0.000 0.975 195 Y CA -0.848 57.269 58.100 0.029 0.000 1.056 195 Y CB 2.214 40.512 38.460 -0.270 0.000 1.210 195 Y HN 0.571 nan 8.280 nan 0.000 0.448 196 I N 3.806 124.620 120.570 0.408 0.000 2.410 196 I HA 0.399 4.569 4.170 0.000 0.000 0.286 196 I C -0.439 175.837 176.117 0.265 0.000 1.009 196 I CA -0.593 60.853 61.300 0.243 0.000 1.111 196 I CB 1.757 39.824 38.000 0.112 0.000 1.262 196 I HN 0.665 nan 8.210 nan 0.000 0.443 197 T N 2.677 117.356 114.554 0.209 0.000 2.950 197 T HA 0.702 5.052 4.350 0.000 0.000 0.288 197 T C -0.661 174.065 174.700 0.044 0.000 1.035 197 T CA -0.848 61.332 62.100 0.133 0.000 1.028 197 T CB 2.111 71.079 68.868 0.166 0.000 1.109 197 T HN 0.637 nan 8.240 nan 0.000 0.514 198 Q N 0.346 120.140 119.800 -0.009 0.000 2.359 198 Q HA 0.658 4.998 4.340 0.000 0.000 0.274 198 Q C -1.513 174.466 176.000 -0.036 0.000 1.074 198 Q CA -1.170 54.617 55.803 -0.028 0.000 0.810 198 Q CB 2.642 31.343 28.738 -0.061 0.000 1.342 198 Q HN 0.596 nan 8.270 nan 0.000 0.427 199 K N 1.238 121.622 120.400 -0.027 0.000 2.469 199 K HA 0.224 4.544 4.320 0.000 0.000 0.254 199 K C -1.314 175.268 176.600 -0.030 0.000 0.939 199 K CA -0.566 55.703 56.287 -0.030 0.000 0.812 199 K CB 1.338 33.827 32.500 -0.018 0.000 1.301 199 K HN 0.803 nan 8.250 nan 0.000 0.433 200 D N 1.043 121.423 120.400 -0.034 0.000 3.038 200 D HA -0.140 4.500 4.640 0.000 0.000 0.229 200 D C -0.754 175.529 176.300 -0.027 0.000 1.182 200 D CA 0.680 54.663 54.000 -0.029 0.000 0.852 200 D CB -0.962 39.825 40.800 -0.022 0.000 0.932 200 D HN 0.117 nan 8.370 nan 0.000 0.406 201 V N 0.715 120.609 119.914 -0.033 0.000 2.435 201 V HA 0.723 4.843 4.120 0.000 0.000 0.290 201 V C 0.672 176.755 176.094 -0.018 0.000 1.030 201 V CA -0.025 62.258 62.300 -0.027 0.000 0.881 201 V CB 1.931 33.728 31.823 -0.042 0.000 0.983 201 V HN 0.578 nan 8.190 nan 0.000 0.445 202 S N 3.282 118.978 115.700 -0.006 0.000 2.636 202 S HA 0.453 4.923 4.470 0.000 0.000 0.268 202 S C 0.358 174.962 174.600 0.007 0.000 1.159 202 S CA -0.945 57.254 58.200 -0.001 0.000 0.815 202 S CB 1.587 64.782 63.200 -0.008 0.000 1.130 202 S HN 0.480 nan 8.310 nan 0.000 0.471 203 K N 1.259 121.662 120.400 0.005 0.000 2.059 203 K HA -0.198 4.122 4.320 0.000 0.000 0.212 203 K C 1.951 178.550 176.600 -0.001 0.000 1.050 203 K CA 2.112 58.398 56.287 -0.001 0.000 0.927 203 K CB -0.513 31.981 32.500 -0.010 0.000 0.714 203 K HN 0.644 nan 8.250 nan 0.000 0.447 204 K N 0.642 121.040 120.400 -0.004 0.000 2.001 204 K HA -0.125 4.195 4.320 0.000 0.000 0.214 204 K C 1.629 178.229 176.600 0.000 0.000 1.050 204 K CA 1.658 57.943 56.287 -0.004 0.000 0.934 204 K CB -0.276 32.220 32.500 -0.006 0.000 0.718 204 K HN 0.267 nan 8.250 nan 0.000 0.443 205 S N -0.540 115.161 115.700 0.001 0.000 2.724 205 S HA 0.651 5.121 4.470 0.000 0.000 0.278 205 S C -1.951 172.648 174.600 -0.002 0.000 1.190 205 S CA -0.529 57.672 58.200 0.002 0.000 0.860 205 S CB 1.619 64.819 63.200 0.001 0.000 1.206 205 S HN 0.464 nan 8.310 nan 0.000 0.507 206 A N 1.002 123.818 122.820 -0.007 0.000 2.532 206 A HA 0.601 4.921 4.320 0.000 0.000 0.296 206 A C -2.032 175.548 177.584 -0.007 0.000 1.058 206 A CA -0.749 51.280 52.037 -0.013 0.000 0.729 206 A CB 1.029 20.018 19.000 -0.019 0.000 1.285 206 A HN 0.739 nan 8.150 nan 0.000 0.396 207 D N 3.466 123.865 120.400 -0.002 0.000 2.295 207 D HA 0.388 5.028 4.640 0.000 0.000 0.248 207 D C 0.088 176.402 176.300 0.024 0.000 1.154 207 D CA 0.061 54.071 54.000 0.016 0.000 0.857 207 D CB 1.996 42.800 40.800 0.006 0.000 1.117 207 D HN 0.586 nan 8.370 nan 0.000 0.468 208 I N -0.511 120.099 120.570 0.066 0.000 2.404 208 I HA 0.384 4.554 4.170 0.000 0.000 0.293 208 I C -0.805 175.394 176.117 0.136 0.000 0.992 208 I CA -0.327 61.023 61.300 0.084 0.000 1.149 208 I CB 1.606 39.639 38.000 0.055 0.000 1.315 208 I HN -0.007 nan 8.210 nan 0.000 0.446 209 T N 6.579 121.189 114.554 0.094 0.000 2.767 209 T HA 0.519 4.869 4.350 0.000 0.000 0.284 209 T C -0.073 174.698 174.700 0.119 0.000 0.973 209 T CA -0.316 61.828 62.100 0.075 0.000 0.996 209 T CB 1.583 70.471 68.868 0.034 0.000 0.927 209 T HN 0.466 nan 8.240 nan 0.000 0.456 210 V N 4.527 124.517 119.914 0.126 0.000 2.394 210 V HA 0.464 4.584 4.120 0.000 0.000 0.282 210 V C 0.239 176.375 176.094 0.069 0.000 1.031 210 V CA -0.739 61.639 62.300 0.131 0.000 0.881 210 V CB 1.456 33.398 31.823 0.199 0.000 0.982 210 V HN 0.693 nan 8.190 nan 0.000 0.451 211 K N 3.876 124.335 120.400 0.098 0.000 2.221 211 K HA 0.778 5.098 4.320 0.000 0.000 0.258 211 K C -1.658 175.012 176.600 0.116 0.000 0.944 211 K CA -0.465 55.872 56.287 0.084 0.000 0.823 211 K CB 1.960 34.506 32.500 0.076 0.000 1.113 211 K HN 0.490 nan 8.250 nan 0.000 0.431 212 V N 4.082 124.058 119.914 0.103 0.000 2.638 212 V HA 0.350 4.470 4.120 0.000 0.000 0.306 212 V C -0.885 175.295 176.094 0.142 0.000 1.052 212 V CA -0.997 61.367 62.300 0.107 0.000 0.885 212 V CB 1.876 33.750 31.823 0.086 0.000 0.999 212 V HN 0.748 nan 8.190 nan 0.000 0.424 213 K N 4.976 125.446 120.400 0.117 0.000 2.240 213 K HA 0.718 5.038 4.320 0.000 0.000 0.271 213 K C -1.264 175.402 176.600 0.111 0.000 1.018 213 K CA -0.417 55.940 56.287 0.116 0.000 0.874 213 K CB 1.647 34.204 32.500 0.095 0.000 1.098 213 K HN 0.483 nan 8.250 nan 0.000 0.458 214 L N 2.084 123.406 121.223 0.166 0.000 2.346 214 L HA 0.400 4.741 4.340 0.000 0.000 0.274 214 L C -0.675 176.273 176.870 0.130 0.000 1.007 214 L CA -0.915 54.013 54.840 0.147 0.000 0.818 214 L CB 1.798 43.975 42.059 0.198 0.000 1.284 214 L HN 0.556 nan 8.230 nan 0.000 0.424 215 D N 1.573 122.030 120.400 0.094 0.000 2.505 215 D HA 0.224 4.864 4.640 0.000 0.000 0.249 215 D C -0.911 175.441 176.300 0.086 0.000 1.082 215 D CA -0.354 53.699 54.000 0.089 0.000 0.839 215 D CB 1.485 42.335 40.800 0.082 0.000 1.317 215 D HN 0.321 nan 8.370 nan 0.000 0.497 216 N N 2.485 121.235 118.700 0.084 0.000 2.621 216 N HA 0.359 5.099 4.740 0.000 0.000 0.237 216 N C 0.253 175.799 175.510 0.059 0.000 0.997 216 N CA -0.509 52.582 53.050 0.068 0.000 0.918 216 N CB 1.234 39.762 38.487 0.069 0.000 1.122 216 N HN 0.343 nan 8.380 nan 0.000 0.510 217 A N 2.300 125.155 122.820 0.057 0.000 2.121 217 A HA 0.174 4.494 4.320 0.000 0.000 0.218 217 A C 1.201 178.803 177.584 0.029 0.000 1.154 217 A CA 1.030 53.095 52.037 0.047 0.000 0.679 217 A CB -0.658 18.369 19.000 0.046 0.000 0.795 217 A HN 0.599 nan 8.150 nan 0.000 0.458 218 G N -1.782 107.034 108.800 0.027 0.000 2.563 218 G HA2 0.419 4.379 3.960 0.000 0.000 0.283 218 G HA3 0.419 4.379 3.960 0.000 0.000 0.283 218 G C 0.376 175.288 174.900 0.019 0.000 1.309 218 G CA -0.486 44.624 45.100 0.018 0.000 1.022 218 G HN 0.020 nan 8.290 nan 0.000 0.501 219 L N -0.571 120.661 121.223 0.015 0.000 2.529 219 L HA 0.267 4.608 4.340 0.000 0.000 0.223 219 L C 1.010 177.891 176.870 0.018 0.000 1.113 219 L CA 0.663 55.513 54.840 0.015 0.000 0.861 219 L CB -0.722 41.343 42.059 0.011 0.000 1.012 219 L HN 0.324 nan 8.230 nan 0.000 0.461 220 Q N -0.637 119.174 119.800 0.018 0.000 2.413 220 Q HA 0.466 4.806 4.340 0.000 0.000 0.276 220 Q C -2.374 173.641 176.000 0.024 0.000 1.099 220 Q CA -2.224 53.590 55.803 0.019 0.000 0.814 220 Q CB 1.512 30.258 28.738 0.013 0.000 1.379 220 Q HN -0.140 nan 8.270 nan 0.000 0.436 221 P HA 0.106 nan 4.420 nan 0.000 0.266 221 P C -1.282 176.031 177.300 0.021 0.000 1.193 221 P CA 0.219 63.341 63.100 0.037 0.000 0.770 221 P CB 0.453 32.177 31.700 0.040 0.000 0.836 222 A N 1.986 124.815 122.820 0.015 0.000 2.371 222 A HA 0.696 5.016 4.320 0.000 0.000 0.311 222 A C -0.594 176.956 177.584 -0.057 0.000 1.068 222 A CA -0.731 51.296 52.037 -0.016 0.000 0.744 222 A CB 1.394 20.385 19.000 -0.014 0.000 1.239 222 A HN 0.486 nan 8.150 nan 0.000 0.435 223 A N 1.845 124.619 122.820 -0.077 0.000 2.310 223 A HA 0.590 4.910 4.320 0.000 0.000 0.300 223 A C 0.255 177.719 177.584 -0.199 0.000 1.269 223 A CA 0.139 52.099 52.037 -0.128 0.000 0.909 223 A CB -0.577 18.372 19.000 -0.084 0.000 1.144 223 A HN 2.173 nan 8.150 nan 0.000 0.540 224 V N 0.195 119.887 119.914 -0.370 0.000 3.158 224 V HA 0.951 5.071 4.120 0.000 0.000 0.311 224 V C -0.318 175.412 176.094 -0.607 0.000 1.181 224 V CA -0.585 61.461 62.300 -0.424 0.000 1.054 224 V CB 1.747 33.322 31.823 -0.413 0.000 1.085 224 V HN 0.611 nan 8.190 nan 0.000 0.446 225 T N 2.630 116.933 114.554 -0.419 0.000 2.921 225 T HA 0.643 4.993 4.350 0.000 0.000 0.297 225 T C -1.380 173.221 174.700 -0.165 0.000 1.013 225 T CA -0.169 61.756 62.100 -0.292 0.000 0.990 225 T CB 1.317 70.104 68.868 -0.134 0.000 1.023 225 T HN 1.048 nan 8.240 nan 0.000 0.447 226 L N 3.064 124.271 121.223 -0.025 0.000 2.305 226 L HA 0.638 4.978 4.340 0.000 0.000 0.284 226 L C -0.355 176.573 176.870 0.098 0.000 1.013 226 L CA -0.219 54.650 54.840 0.048 0.000 0.819 226 L CB 1.241 43.357 42.059 0.094 0.000 1.227 226 L HN 0.638 nan 8.230 nan 0.000 0.417 227 E N 4.149 124.395 120.200 0.078 0.000 2.145 227 E HA 0.343 4.693 4.350 0.000 0.000 0.262 227 E C -1.265 175.403 176.600 0.113 0.000 0.883 227 E CA -0.579 55.884 56.400 0.105 0.000 0.748 227 E CB 0.786 30.528 29.700 0.069 0.000 1.140 227 E HN 0.636 nan 8.360 nan 0.000 0.417 228 N N 2.526 121.330 118.700 0.174 0.000 2.408 228 N HA 0.341 5.082 4.740 0.000 0.000 0.280 228 N C -1.084 174.554 175.510 0.214 0.000 1.002 228 N CA -0.228 52.943 53.050 0.202 0.000 0.907 228 N CB 2.082 40.726 38.487 0.261 0.000 1.161 228 N HN 0.269 nan 8.380 nan 0.000 0.488 229 T N 1.853 116.397 114.554 -0.017 0.000 2.876 229 T HA 0.583 4.933 4.350 0.000 0.000 0.289 229 T C 0.089 174.509 174.700 -0.467 0.000 1.014 229 T CA -0.445 61.495 62.100 -0.268 0.000 0.986 229 T CB 1.272 69.904 68.868 -0.393 0.000 1.021 229 T HN 0.212 nan 8.240 nan 0.000 0.458 230 I N 2.893 123.083 120.570 -0.634 0.000 2.378 230 I HA 0.441 4.611 4.170 0.000 0.000 0.291 230 I C -1.164 174.738 176.117 -0.358 0.000 0.992 230 I CA -0.852 60.157 61.300 -0.485 0.000 1.154 230 I CB 1.259 38.892 38.000 -0.612 0.000 1.315 230 I HN 0.554 nan 8.210 nan 0.000 0.448 231 Y N 3.068 123.381 120.300 0.021 0.000 2.429 231 Y HA 0.339 4.889 4.550 0.000 0.000 0.342 231 Y C 0.929 176.957 175.900 0.215 0.000 1.004 231 Y CA -0.848 57.305 58.100 0.088 0.000 1.075 231 Y CB 1.935 40.417 38.460 0.037 0.000 1.214 231 Y HN 0.564 nan 8.280 nan 0.000 0.455 232 T N -1.667 113.115 114.554 0.380 0.000 2.802 232 T HA -0.008 4.342 4.350 0.000 0.000 0.305 232 T C 1.128 175.862 174.700 0.058 0.000 1.053 232 T CA -0.536 61.709 62.100 0.241 0.000 1.058 232 T CB 0.822 69.823 68.868 0.221 0.000 0.988 232 T HN 0.855 nan 8.240 nan 0.000 0.539 233 Q N -0.131 119.576 119.800 -0.154 0.000 2.297 233 Q HA -0.200 4.140 4.340 0.000 0.000 0.208 233 Q C 1.386 177.326 176.000 -0.101 0.000 0.981 233 Q CA 1.664 57.276 55.803 -0.319 0.000 0.876 233 Q CB -0.053 28.228 28.738 -0.762 0.000 0.921 233 Q HN 0.794 nan 8.270 nan 0.000 0.446 234 E N -1.291 118.915 120.200 0.010 0.000 2.340 234 E HA 0.138 4.488 4.350 0.000 0.000 0.194 234 E C 0.768 177.377 176.600 0.015 0.000 0.996 234 E CA 0.827 57.241 56.400 0.022 0.000 0.869 234 E CB 0.862 30.597 29.700 0.059 0.000 0.835 234 E HN 0.493 nan 8.360 nan 0.000 0.493 235 G N 0.012 108.837 108.800 0.043 0.000 2.173 235 G HA2 -0.152 3.808 3.960 0.000 0.000 0.142 235 G HA3 -0.152 3.808 3.960 0.000 0.000 0.142 235 G C -0.403 174.583 174.900 0.143 0.000 1.019 235 G CA -0.624 44.482 45.100 0.010 0.000 0.699 235 G HN 0.004 nan 8.290 nan 0.000 0.495 236 Q N 1.040 120.969 119.800 0.215 0.000 2.360 236 Q HA 0.283 4.623 4.340 0.000 0.000 0.254 236 Q C 0.405 176.572 176.000 0.278 0.000 0.975 236 Q CA -0.475 55.465 55.803 0.228 0.000 0.912 236 Q CB 1.545 30.372 28.738 0.149 0.000 1.212 236 Q HN 0.558 nan 8.270 nan 0.000 0.452 237 K N 1.961 122.533 120.400 0.286 0.000 2.365 237 K HA -0.072 4.248 4.320 0.000 0.000 0.268 237 K C 0.122 176.719 176.600 -0.004 0.000 1.173 237 K CA 0.207 56.493 56.287 -0.002 0.000 1.204 237 K CB 0.188 32.687 32.500 -0.001 0.000 0.832 237 K HN 0.372 nan 8.250 nan 0.000 0.481 238 V N 3.486 123.372 119.914 -0.048 0.000 3.276 238 V HA 0.351 4.471 4.120 0.000 0.000 0.319 238 V C -0.036 176.030 176.094 -0.048 0.000 1.427 238 V CA 0.581 62.884 62.300 0.006 0.000 1.102 238 V CB 0.426 32.310 31.823 0.102 0.000 1.020 238 V HN 0.950 nan 8.190 nan 0.000 0.456 239 G N -0.456 108.284 108.800 -0.100 0.000 2.299 239 G HA2 0.424 4.384 3.960 0.000 0.000 0.312 239 G HA3 0.424 4.384 3.960 0.000 0.000 0.312 239 G C -0.870 174.037 174.900 0.011 0.000 1.654 239 G CA -0.191 44.905 45.100 -0.006 0.000 0.912 239 G HN 0.027 nan 8.290 nan 0.000 0.667 240 T N 1.906 116.601 114.554 0.234 0.000 2.886 240 T HA 0.642 4.992 4.350 0.000 0.000 0.292 240 T C -1.244 173.684 174.700 0.380 0.000 1.012 240 T CA -0.581 61.674 62.100 0.258 0.000 0.982 240 T CB 1.682 70.603 68.868 0.088 0.000 1.018 240 T HN 0.752 nan 8.240 nan 0.000 0.451 241 H N 1.148 120.382 119.070 0.273 0.000 2.667 241 H HA 0.713 5.270 4.556 0.000 0.000 0.353 241 H C -1.530 173.833 175.328 0.058 0.000 1.072 241 H CA -0.519 55.556 56.048 0.045 0.000 1.214 241 H CB 1.908 31.524 29.762 -0.242 0.000 1.600 241 H HN 0.549 nan 8.280 nan 0.000 0.527 242 S N 4.265 120.151 115.700 0.311 0.000 2.536 242 S HA 0.662 5.132 4.470 0.000 0.000 0.287 242 S C -1.004 173.727 174.600 0.220 0.000 1.101 242 S CA -0.740 57.608 58.200 0.247 0.000 0.950 242 S CB 1.490 64.747 63.200 0.095 0.000 1.056 242 S HN 0.784 nan 8.310 nan 0.000 0.481 243 R N 1.686 122.336 120.500 0.250 0.000 2.740 243 R HA 0.687 5.027 4.340 0.000 0.000 0.273 243 R C -1.612 174.843 176.300 0.260 0.000 0.998 243 R CA -0.400 55.872 56.100 0.286 0.000 0.900 243 R CB 1.806 32.336 30.300 0.383 0.000 1.223 243 R HN 0.625 nan 8.270 nan 0.000 0.466 244 S N 2.300 118.158 115.700 0.264 0.000 2.548 244 S HA 0.845 5.315 4.470 0.000 0.000 0.286 244 S C -1.583 173.166 174.600 0.249 0.000 1.098 244 S CA -0.523 57.704 58.200 0.045 0.000 0.930 244 S CB 1.348 64.539 63.200 -0.015 0.000 1.070 244 S HN 0.498 nan 8.310 nan 0.000 0.480 245 F N -1.259 118.678 119.950 -0.022 0.000 2.890 245 F HA 0.392 4.919 4.527 0.000 0.000 0.326 245 F C -1.776 174.022 175.800 -0.003 0.000 1.143 245 F CA -1.209 56.795 58.000 0.006 0.000 0.906 245 F CB 0.285 39.309 39.000 0.041 0.000 1.303 245 F HN 0.264 nan 8.300 nan 0.000 0.447 246 D N 2.415 122.910 120.400 0.159 0.000 2.308 246 D HA 0.319 4.959 4.640 0.000 0.000 0.251 246 D C -0.659 175.787 176.300 0.243 0.000 1.127 246 D CA -0.025 54.030 54.000 0.092 0.000 0.876 246 D CB 2.024 42.878 40.800 0.089 0.000 1.176 246 D HN 0.554 nan 8.370 nan 0.000 0.446 247 L N 2.667 123.973 121.223 0.138 0.000 2.261 247 L HA 0.125 4.465 4.340 0.000 0.000 0.289 247 L C 0.342 177.304 176.870 0.153 0.000 1.059 247 L CA -0.378 54.599 54.840 0.228 0.000 0.816 247 L CB 0.488 42.636 42.059 0.148 0.000 1.191 247 L HN 0.258 nan 8.230 nan 0.000 0.431 248 S N 7.223 123.025 115.700 0.169 0.000 2.558 248 S HA 0.195 4.665 4.470 0.000 0.000 0.288 248 S C -1.396 173.257 174.600 0.089 0.000 1.318 248 S CA -0.445 57.820 58.200 0.108 0.000 1.056 248 S CB 0.539 63.797 63.200 0.095 0.000 0.853 248 S HN 0.692 nan 8.310 nan 0.000 0.505 249 P HA -0.002 nan 4.420 nan 0.000 0.231 249 P C -0.225 177.104 177.300 0.047 0.000 1.168 249 P CA 0.632 63.763 63.100 0.052 0.000 0.779 249 P CB 0.058 31.781 31.700 0.039 0.000 0.844 250 Q N 1.037 120.863 119.800 0.045 0.000 2.472 250 Q HA 0.462 4.802 4.340 0.000 0.000 0.227 250 Q C 0.459 176.479 176.000 0.033 0.000 1.156 250 Q CA -0.155 55.668 55.803 0.034 0.000 0.924 250 Q CB 0.058 28.812 28.738 0.026 0.000 1.354 250 Q HN 0.184 nan 8.270 nan 0.000 0.525 251 G N 1.440 110.260 108.800 0.035 0.000 2.716 251 G HA2 -0.234 3.726 3.960 0.000 0.000 0.686 251 G HA3 -0.234 3.726 3.960 0.000 0.000 0.686 251 G C -0.271 174.653 174.900 0.041 0.000 1.337 251 G CA -0.469 44.649 45.100 0.030 0.000 0.829 251 G HN 0.463 nan 8.290 nan 0.000 0.599 252 T N 1.418 115.995 114.554 0.038 0.000 2.884 252 T HA 0.531 4.881 4.350 0.000 0.000 0.298 252 T C 0.310 175.033 174.700 0.038 0.000 0.998 252 T CA 0.090 62.221 62.100 0.051 0.000 1.124 252 T CB 0.664 69.562 68.868 0.050 0.000 0.931 252 T HN 0.610 nan 8.240 nan 0.000 0.531 253 Q N 3.018 122.864 119.800 0.078 0.000 2.257 253 Q HA 0.486 4.826 4.340 0.000 0.000 0.262 253 Q C -0.406 175.600 176.000 0.010 0.000 0.997 253 Q CA -0.562 55.262 55.803 0.035 0.000 0.873 253 Q CB 1.998 30.828 28.738 0.154 0.000 1.312 253 Q HN 0.746 nan 8.270 nan 0.000 0.450 254 T N 1.730 116.145 114.554 -0.232 0.000 2.829 254 T HA 0.639 4.989 4.350 0.000 0.000 0.280 254 T C -0.962 173.425 174.700 -0.521 0.000 0.999 254 T CA -0.385 61.592 62.100 -0.204 0.000 0.983 254 T CB 0.444 69.207 68.868 -0.175 0.000 0.968 254 T HN 0.271 nan 8.240 nan 0.000 0.446 255 Y N 1.597 121.835 120.300 -0.104 0.000 2.425 255 Y HA 0.594 5.144 4.550 0.000 0.000 0.344 255 Y C -0.244 175.576 175.900 -0.133 0.000 0.969 255 Y CA -1.188 56.819 58.100 -0.156 0.000 1.052 255 Y CB 1.397 39.741 38.460 -0.193 0.000 1.215 255 Y HN 0.383 nan 8.280 nan 0.000 0.451 256 L N 2.196 123.387 121.223 -0.052 0.000 2.325 256 L HA 0.696 5.036 4.340 0.000 0.000 0.278 256 L C -0.175 176.565 176.870 -0.217 0.000 1.023 256 L CA -0.582 54.200 54.840 -0.096 0.000 0.811 256 L CB 1.818 43.820 42.059 -0.095 0.000 1.249 256 L HN 0.540 nan 8.230 nan 0.000 0.431 257 S N 0.103 115.641 115.700 -0.270 0.000 2.542 257 S HA 0.733 5.203 4.470 0.000 0.000 0.293 257 S C -0.567 173.809 174.600 -0.374 0.000 1.089 257 S CA -0.609 57.269 58.200 -0.537 0.000 0.961 257 S CB 2.097 64.943 63.200 -0.591 0.000 1.062 257 S HN 0.714 nan 8.310 nan 0.000 0.483 258 T N 0.450 114.735 114.554 -0.448 0.000 2.881 258 T HA 0.745 5.095 4.350 0.000 0.000 0.290 258 T C -1.228 173.181 174.700 -0.484 0.000 1.000 258 T CA -0.549 61.361 62.100 -0.317 0.000 0.978 258 T CB 0.410 69.202 68.868 -0.127 0.000 0.997 258 T HN 0.259 nan 8.240 nan 0.000 0.443 259 F N 1.937 121.888 119.950 0.001 0.000 2.427 259 F HA 0.573 5.100 4.527 0.000 0.000 0.348 259 F C 0.377 176.158 175.800 -0.032 0.000 1.125 259 F CA -1.174 56.817 58.000 -0.015 0.000 0.989 259 F CB 2.044 41.018 39.000 -0.043 0.000 1.165 259 F HN 0.406 nan 8.300 nan 0.000 0.442 260 K N 3.951 124.421 120.400 0.116 0.000 2.262 260 K HA 0.327 4.647 4.320 0.000 0.000 0.288 260 K C -1.240 175.395 176.600 0.058 0.000 1.090 260 K CA -0.346 55.977 56.287 0.060 0.000 0.918 260 K CB -0.094 32.424 32.500 0.029 0.000 1.139 260 K HN 0.514 nan 8.250 nan 0.000 0.462 261 L N 4.335 125.573 121.223 0.025 0.000 2.283 261 L HA 0.319 4.659 4.340 0.000 0.000 0.287 261 L C 0.163 177.032 176.870 -0.002 0.000 1.073 261 L CA 0.155 54.985 54.840 -0.017 0.000 0.822 261 L CB 0.754 42.751 42.059 -0.103 0.000 1.186 261 L HN 0.530 nan 8.230 nan 0.000 0.436 262 K N 3.903 124.310 120.400 0.012 0.000 2.258 262 K HA 0.209 4.529 4.320 0.000 0.000 0.284 262 K C -0.005 176.609 176.600 0.024 0.000 1.051 262 K CA -0.209 56.088 56.287 0.016 0.000 0.923 262 K CB 0.126 32.636 32.500 0.018 0.000 1.046 262 K HN 0.632 nan 8.250 nan 0.000 0.474 263 N N 3.072 121.782 118.700 0.017 0.000 2.642 263 N HA -0.154 4.586 4.740 0.000 0.000 0.269 263 N C -2.642 172.893 175.510 0.042 0.000 1.073 263 N CA 0.049 53.108 53.050 0.015 0.000 0.748 263 N CB -0.561 37.927 38.487 0.002 0.000 0.894 263 N HN 0.478 nan 8.380 nan 0.000 0.548 264 P HA 0.057 nan 4.420 nan 0.000 0.282 264 P C -0.758 176.658 177.300 0.193 0.000 1.249 264 P CA -0.038 63.165 63.100 0.172 0.000 0.806 264 P CB 0.658 32.426 31.700 0.114 0.000 0.984 265 H N 2.398 121.537 119.070 0.115 0.000 3.089 265 H HA 0.229 4.785 4.556 0.000 0.000 0.262 265 H C -0.047 175.322 175.328 0.069 0.000 1.160 265 H CA -0.563 55.382 56.048 -0.172 0.000 1.482 265 H CB -0.290 28.919 29.762 -0.921 0.000 1.511 265 H HN 0.240 nan 8.280 nan 0.000 0.483 266 L N 5.824 127.259 121.223 0.353 0.000 2.418 266 L HA -0.050 4.290 4.340 0.000 0.000 0.274 266 L C 0.182 177.282 176.870 0.383 0.000 1.135 266 L CA -0.179 54.857 54.840 0.327 0.000 0.870 266 L CB 0.235 42.405 42.059 0.185 0.000 1.154 266 L HN 0.690 nan 8.230 nan 0.000 0.462 267 W N 4.574 125.982 121.300 0.181 0.000 2.520 267 W HA -0.042 4.618 4.660 0.000 0.000 0.337 267 W C 0.771 177.325 176.519 0.058 0.000 1.406 267 W CA 0.164 57.573 57.345 0.107 0.000 1.318 267 W CB 0.312 29.807 29.460 0.058 0.000 1.338 267 W HN 0.498 nan 8.180 nan 0.000 0.570 268 Q N 6.120 125.812 119.800 -0.179 0.000 2.354 268 Q HA 0.344 4.684 4.340 0.000 0.000 0.372 268 Q C 0.696 176.468 176.000 -0.379 0.000 0.923 268 Q CA 0.489 56.199 55.803 -0.154 0.000 1.123 268 Q CB 0.158 28.884 28.738 -0.020 0.000 1.298 268 Q HN 0.785 nan 8.270 nan 0.000 0.419 269 G N 0.980 109.246 108.800 -0.890 0.000 2.552 269 G HA2 -0.405 3.556 3.960 0.000 0.000 0.265 269 G HA3 -0.405 3.556 3.960 0.000 0.000 0.265 269 G C 0.577 175.189 174.900 -0.480 0.000 1.234 269 G CA 0.117 44.783 45.100 -0.724 0.000 0.944 269 G HN 0.478 nan 8.290 nan 0.000 0.568 270 R N 0.771 121.204 120.500 -0.111 0.000 2.152 270 R HA 0.067 4.407 4.340 0.000 0.000 0.232 270 R C 3.100 179.351 176.300 -0.082 0.000 1.117 270 R CA 2.294 58.342 56.100 -0.087 0.000 0.981 270 R CB -0.537 29.751 30.300 -0.020 0.000 0.870 270 R HN 0.732 nan 8.270 nan 0.000 0.451 271 K N 1.236 121.611 120.400 -0.041 0.000 2.152 271 K HA -0.148 4.172 4.320 0.000 0.000 0.206 271 K C 0.569 177.135 176.600 -0.056 0.000 1.048 271 K CA 1.899 58.170 56.287 -0.028 0.000 0.933 271 K CB -0.219 32.294 32.500 0.021 0.000 0.721 271 K HN 0.317 nan 8.250 nan 0.000 0.447 272 D N -1.897 118.421 120.400 -0.137 0.000 2.950 272 D HA 0.055 4.695 4.640 0.000 0.000 0.212 272 D C -3.133 172.999 176.300 -0.279 0.000 1.398 272 D CA -1.055 52.877 54.000 -0.114 0.000 1.198 272 D CB 0.807 41.625 40.800 0.030 0.000 1.369 272 D HN 0.078 nan 8.370 nan 0.000 0.624 273 P HA 0.072 nan 4.420 nan 0.000 0.231 273 P C -0.422 176.724 177.300 -0.258 0.000 1.756 273 P CA -0.196 62.472 63.100 -0.720 0.000 0.990 273 P CB -1.038 30.417 31.700 -0.407 0.000 1.973 274 Y N 2.459 122.594 120.300 -0.274 0.000 2.425 274 Y HA 0.224 4.774 4.550 0.000 0.000 0.331 274 Y C -0.054 175.886 175.900 0.067 0.000 1.157 274 Y CA 0.315 58.268 58.100 -0.245 0.000 1.372 274 Y CB 0.490 38.537 38.460 -0.688 0.000 1.253 274 Y HN 0.104 nan 8.280 nan 0.000 0.536 275 L N 7.654 128.468 121.223 -0.683 0.000 2.446 275 L HA 0.325 4.665 4.340 0.000 0.000 0.268 275 L C -0.969 175.616 176.870 -0.475 0.000 0.975 275 L CA -0.764 53.904 54.840 -0.288 0.000 0.848 275 L CB 1.021 43.030 42.059 -0.083 0.000 1.225 275 L HN 0.625 nan 8.230 nan 0.000 0.410 276 Y N 1.984 122.193 120.300 -0.152 0.000 2.223 276 Y HA 0.295 4.846 4.550 0.000 0.000 0.352 276 Y C 0.601 176.468 175.900 -0.055 0.000 1.293 276 Y CA -0.078 57.993 58.100 -0.049 0.000 1.601 276 Y CB 0.629 39.120 38.460 0.052 0.000 1.407 276 Y HN 0.462 nan 8.280 nan 0.000 0.639 277 K N -1.105 119.404 120.400 0.183 0.000 2.469 277 K HA 0.756 5.076 4.320 0.000 0.000 0.254 277 K C -2.167 174.500 176.600 0.111 0.000 0.939 277 K CA -0.897 55.454 56.287 0.106 0.000 0.812 277 K CB 1.926 34.463 32.500 0.062 0.000 1.301 277 K HN 0.349 nan 8.250 nan 0.000 0.433 278 V N 2.200 122.141 119.914 0.046 0.000 2.547 278 V HA 0.443 4.563 4.120 0.000 0.000 0.299 278 V C -0.793 175.327 176.094 0.044 0.000 1.040 278 V CA -0.810 61.490 62.300 0.000 0.000 0.913 278 V CB 1.677 33.477 31.823 -0.039 0.000 0.992 278 V HN 0.613 nan 8.190 nan 0.000 0.449 279 V N 3.320 123.268 119.914 0.057 0.000 2.483 279 V HA 0.369 4.489 4.120 0.000 0.000 0.297 279 V C -0.536 175.590 176.094 0.054 0.000 1.027 279 V CA -0.417 61.936 62.300 0.089 0.000 0.855 279 V CB 1.805 33.759 31.823 0.219 0.000 0.995 279 V HN 0.995 nan 8.190 nan 0.000 0.424 280 C N 5.993 125.314 119.300 0.036 0.000 2.281 280 C HA 0.605 5.065 4.460 0.000 0.000 0.323 280 C C 0.394 175.402 174.990 0.029 0.000 1.270 280 C CA -0.938 58.101 59.018 0.035 0.000 1.559 280 C CB 0.208 27.960 27.740 0.020 0.000 2.239 280 C HN 0.806 nan 8.230 nan 0.000 0.488 281 R N 2.330 122.852 120.500 0.038 0.000 2.445 281 R HA 0.642 4.982 4.340 0.000 0.000 0.308 281 R C -1.018 175.289 176.300 0.012 0.000 0.961 281 R CA -0.704 55.412 56.100 0.026 0.000 0.862 281 R CB 1.653 31.976 30.300 0.039 0.000 1.144 281 R HN 0.557 nan 8.270 nan 0.000 0.447 282 L N 3.877 125.098 121.223 -0.004 0.000 2.295 282 L HA 0.515 4.855 4.340 0.000 0.000 0.285 282 L C -0.960 175.890 176.870 -0.035 0.000 1.035 282 L CA 0.025 54.849 54.840 -0.026 0.000 0.806 282 L CB 1.297 43.341 42.059 -0.026 0.000 1.214 282 L HN 0.592 nan 8.230 nan 0.000 0.426 283 M N 4.699 124.262 119.600 -0.060 0.000 2.464 283 M HA 0.787 5.267 4.480 0.000 0.000 0.308 283 M C -0.907 175.342 176.300 -0.085 0.000 1.127 283 M CA -0.592 54.675 55.300 -0.055 0.000 0.913 283 M CB 2.318 34.894 32.600 -0.040 0.000 1.689 283 M HN 0.673 nan 8.290 nan 0.000 0.445 284 A N 1.221 124.003 122.820 -0.063 0.000 2.398 284 A HA 0.641 4.961 4.320 0.000 0.000 0.301 284 A C -0.812 176.744 177.584 -0.046 0.000 1.041 284 A CA -0.578 51.418 52.037 -0.068 0.000 0.711 284 A CB 0.804 19.769 19.000 -0.058 0.000 1.240 284 A HN 0.966 nan 8.150 nan 0.000 0.420 285 D N 1.823 122.194 120.400 -0.048 0.000 2.746 285 D HA -0.192 4.448 4.640 0.000 0.000 0.241 285 D C 1.118 177.403 176.300 -0.025 0.000 1.140 285 D CA 2.010 55.991 54.000 -0.032 0.000 0.707 285 D CB -1.308 39.478 40.800 -0.023 0.000 1.034 285 D HN 2.046 nan 8.370 nan 0.000 0.423 286 G N -0.046 108.737 108.800 -0.028 0.000 2.225 286 G HA2 -0.381 3.579 3.960 0.000 0.000 0.272 286 G HA3 -0.381 3.579 3.960 0.000 0.000 0.272 286 G C 0.361 175.253 174.900 -0.013 0.000 0.996 286 G CA 1.373 46.462 45.100 -0.018 0.000 0.710 286 G HN 0.532 nan 8.290 nan 0.000 0.522 287 K N -0.909 119.481 120.400 -0.017 0.000 2.281 287 K HA 0.631 4.951 4.320 0.000 0.000 0.242 287 K C -0.205 176.388 176.600 -0.012 0.000 0.971 287 K CA -1.026 55.255 56.287 -0.010 0.000 0.834 287 K CB 2.633 35.129 32.500 -0.008 0.000 1.181 287 K HN -0.033 nan 8.250 nan 0.000 0.435 288 V N 3.956 123.868 119.914 -0.004 0.000 2.432 288 V HA 0.123 4.243 4.120 0.000 0.000 0.275 288 V C 1.214 177.305 176.094 -0.004 0.000 1.043 288 V CA -0.153 62.145 62.300 -0.003 0.000 0.925 288 V CB 0.808 32.634 31.823 0.006 0.000 0.985 288 V HN 0.765 nan 8.190 nan 0.000 0.466 289 I N -0.001 120.563 120.570 -0.009 0.000 3.939 289 I HA 0.484 4.654 4.170 0.000 0.000 0.313 289 I C 0.323 176.440 176.117 0.000 0.000 1.274 289 I CA 0.588 61.885 61.300 -0.004 0.000 1.301 289 I CB 0.842 38.836 38.000 -0.010 0.000 1.105 289 I HN 0.583 nan 8.210 nan 0.000 0.427 290 D N 0.970 121.367 120.400 -0.004 0.000 2.639 290 D HA 0.439 5.079 4.640 0.000 0.000 0.271 290 D C -1.742 174.553 176.300 -0.008 0.000 1.254 290 D CA -0.225 53.771 54.000 -0.006 0.000 0.810 290 D CB 1.922 42.716 40.800 -0.009 0.000 1.351 290 D HN 0.483 nan 8.370 nan 0.000 0.427 291 E N -0.616 119.574 120.200 -0.016 0.000 2.381 291 E HA 0.533 4.883 4.350 0.000 0.000 0.286 291 E C -1.602 174.977 176.600 -0.034 0.000 0.960 291 E CA -1.112 55.279 56.400 -0.014 0.000 0.793 291 E CB 1.802 31.499 29.700 -0.004 0.000 1.225 291 E HN 0.242 nan 8.360 nan 0.000 0.420 292 V N 1.614 121.507 119.914 -0.035 0.000 2.760 292 V HA 0.825 4.945 4.120 0.000 0.000 0.309 292 V C -1.400 174.672 176.094 -0.036 0.000 1.077 292 V CA -0.514 61.753 62.300 -0.055 0.000 0.910 292 V CB 1.748 33.519 31.823 -0.088 0.000 1.008 292 V HN 0.805 nan 8.190 nan 0.000 0.424 293 V N 6.177 126.067 119.914 -0.040 0.000 2.604 293 V HA 0.813 4.933 4.120 0.000 0.000 0.305 293 V C -1.085 174.987 176.094 -0.037 0.000 1.043 293 V CA -0.042 62.246 62.300 -0.019 0.000 0.888 293 V CB 1.864 33.682 31.823 -0.009 0.000 0.995 293 V HN 1.076 nan 8.190 nan 0.000 0.429 294 Q N 6.003 125.787 119.800 -0.027 0.000 2.421 294 Q HA 0.602 4.942 4.340 0.000 0.000 0.280 294 Q C -2.865 173.121 176.000 -0.023 0.000 1.085 294 Q CA -1.786 53.990 55.803 -0.043 0.000 0.807 294 Q CB 2.732 31.432 28.738 -0.063 0.000 1.405 294 Q HN 0.657 nan 8.270 nan 0.000 0.419 295 P HA 0.402 nan 4.420 nan 0.000 0.276 295 P C -0.866 176.423 177.300 -0.019 0.000 1.261 295 P CA -0.574 62.518 63.100 -0.012 0.000 0.800 295 P CB 0.909 32.606 31.700 -0.004 0.000 1.066 296 L N 0.074 121.301 121.223 0.007 0.000 2.680 296 L HA 0.551 4.891 4.340 0.000 0.000 0.260 296 L C -0.816 176.092 176.870 0.063 0.000 0.975 296 L CA -0.114 54.732 54.840 0.010 0.000 0.920 296 L CB 0.823 42.902 42.059 0.033 0.000 1.234 296 L HN 0.505 nan 8.230 nan 0.000 0.429 297 G N 3.778 112.526 108.800 -0.087 0.000 2.655 297 G HA2 0.469 4.429 3.960 0.000 0.000 0.334 297 G HA3 0.469 4.429 3.960 0.000 0.000 0.334 297 G C -0.485 174.380 174.900 -0.058 0.000 1.099 297 G CA -0.225 44.800 45.100 -0.125 0.000 1.075 297 G HN 0.891 nan 8.290 nan 0.000 0.463 298 V N 4.062 124.076 119.914 0.166 0.000 2.446 298 V HA 0.767 4.887 4.120 0.000 0.000 0.276 298 V C -0.116 176.035 176.094 0.094 0.000 1.030 298 V CA -0.296 62.059 62.300 0.091 0.000 1.033 298 V CB -0.294 31.593 31.823 0.106 0.000 0.993 298 V HN 0.958 nan 8.190 nan 0.000 0.477 299 R N 3.642 124.104 120.500 -0.064 0.000 2.690 299 R HA 0.569 4.909 4.340 0.000 0.000 0.269 299 R C -1.373 174.773 176.300 -0.256 0.000 1.037 299 R CA -0.885 55.154 56.100 -0.102 0.000 0.877 299 R CB 0.985 31.246 30.300 -0.065 0.000 1.255 299 R HN 0.677 nan 8.270 nan 0.000 0.467 300 K N 1.302 121.578 120.400 -0.208 0.000 2.270 300 K HA 0.523 4.843 4.320 0.000 0.000 0.255 300 K C -1.269 175.229 176.600 -0.169 0.000 0.936 300 K CA -0.749 55.420 56.287 -0.197 0.000 0.809 300 K CB 1.089 33.536 32.500 -0.087 0.000 1.131 300 K HN 0.557 nan 8.250 nan 0.000 0.427 301 Y N 1.199 121.467 120.300 -0.054 0.000 2.528 301 Y HA 0.488 5.038 4.550 0.000 0.000 0.335 301 Y C -0.221 175.601 175.900 -0.131 0.000 1.093 301 Y CA -0.855 57.183 58.100 -0.104 0.000 1.134 301 Y CB 2.010 40.505 38.460 0.059 0.000 1.253 301 Y HN 0.669 nan 8.280 nan 0.000 0.478 302 E N 1.554 121.684 120.200 -0.118 0.000 2.400 302 E HA 0.453 4.803 4.350 0.000 0.000 0.285 302 E C -1.986 174.551 176.600 -0.104 0.000 1.005 302 E CA -0.423 55.997 56.400 0.034 0.000 0.816 302 E CB 2.032 31.743 29.700 0.019 0.000 1.220 302 E HN 0.616 nan 8.360 nan 0.000 0.426 303 I N 2.633 123.226 120.570 0.038 0.000 2.530 303 I HA 0.425 4.595 4.170 0.000 0.000 0.297 303 I C -0.698 175.463 176.117 0.074 0.000 1.011 303 I CA -0.964 60.328 61.300 -0.014 0.000 1.107 303 I CB 2.050 39.932 38.000 -0.197 0.000 1.285 303 I HN 0.196 nan 8.210 nan 0.000 0.436 304 V N 5.420 125.422 119.914 0.146 0.000 2.409 304 V HA 0.471 4.591 4.120 0.000 0.000 0.290 304 V C 0.382 176.536 176.094 0.101 0.000 1.017 304 V CA -0.886 61.482 62.300 0.113 0.000 0.841 304 V CB 1.481 33.370 31.823 0.110 0.000 1.003 304 V HN 0.868 nan 8.190 nan 0.000 0.426 305 A N 3.723 126.585 122.820 0.070 0.000 2.587 305 A HA 0.449 4.769 4.320 0.000 0.000 0.233 305 A C 1.675 179.316 177.584 0.094 0.000 1.049 305 A CA 1.065 53.135 52.037 0.054 0.000 0.754 305 A CB -0.398 18.660 19.000 0.097 0.000 0.977 305 A HN 2.303 nan 8.150 nan 0.000 0.509 306 G N 1.131 109.995 108.800 0.106 0.000 2.284 306 G HA2 -0.304 3.656 3.960 0.000 0.000 0.261 306 G HA3 -0.304 3.656 3.960 0.000 0.000 0.261 306 G C 1.113 176.089 174.900 0.126 0.000 0.997 306 G CA 1.101 46.321 45.100 0.201 0.000 0.621 306 G HN 0.807 nan 8.290 nan 0.000 0.534 307 K N -0.223 120.249 120.400 0.121 0.000 2.309 307 K HA 0.493 4.813 4.320 0.000 0.000 0.210 307 K C 1.232 177.898 176.600 0.109 0.000 1.114 307 K CA 1.327 57.702 56.287 0.147 0.000 0.912 307 K CB 0.768 33.410 32.500 0.237 0.000 1.198 307 K HN 1.116 nan 8.250 nan 0.000 0.471 308 G N 0.169 109.049 108.800 0.133 0.000 2.333 308 G HA2 0.123 4.083 3.960 0.000 0.000 0.288 308 G HA3 0.123 4.083 3.960 0.000 0.000 0.288 308 G C -2.070 172.806 174.900 -0.040 0.000 1.286 308 G CA -0.848 44.223 45.100 -0.047 0.000 0.865 308 G HN 0.069 nan 8.290 nan 0.000 0.506 309 F N 0.518 120.262 119.950 -0.343 0.000 2.420 309 F HA 0.837 5.364 4.527 0.000 0.000 0.342 309 F C -0.975 174.570 175.800 -0.425 0.000 1.113 309 F CA -1.229 56.632 58.000 -0.231 0.000 1.059 309 F CB 1.144 40.018 39.000 -0.210 0.000 1.128 309 F HN 0.285 nan 8.300 nan 0.000 0.475 310 F N 6.345 126.066 119.950 -0.382 0.000 2.520 310 F HA 0.617 5.144 4.527 0.000 0.000 0.322 310 F C -1.066 174.620 175.800 -0.191 0.000 1.103 310 F CA -1.045 56.864 58.000 -0.153 0.000 0.926 310 F CB 1.910 40.838 39.000 -0.119 0.000 1.154 310 F HN 0.324 nan 8.300 nan 0.000 0.453 311 L N 4.161 125.487 121.223 0.173 0.000 2.381 311 L HA 0.503 4.843 4.340 0.000 0.000 0.274 311 L C -0.279 176.658 176.870 0.112 0.000 0.988 311 L CA -0.633 54.291 54.840 0.140 0.000 0.824 311 L CB 1.399 43.496 42.059 0.063 0.000 1.263 311 L HN 0.599 nan 8.230 nan 0.000 0.410 312 N N 4.698 123.437 118.700 0.066 0.000 2.718 312 N HA -0.254 4.486 4.740 0.000 0.000 0.268 312 N C 1.059 176.613 175.510 0.074 0.000 0.965 312 N CA 1.286 54.366 53.050 0.050 0.000 0.817 312 N CB -0.841 37.677 38.487 0.052 0.000 0.914 312 N HN 1.234 nan 8.380 nan 0.000 0.558 313 G N -0.782 108.073 108.800 0.091 0.000 2.212 313 G HA2 -0.330 3.630 3.960 0.000 0.000 0.266 313 G HA3 -0.330 3.630 3.960 0.000 0.000 0.266 313 G C -0.151 174.887 174.900 0.230 0.000 0.978 313 G CA 0.688 45.845 45.100 0.095 0.000 0.632 313 G HN 0.577 nan 8.290 nan 0.000 0.537 314 E N 0.279 120.641 120.200 0.270 0.000 2.158 314 E HA 0.463 4.813 4.350 0.000 0.000 0.271 314 E C 0.161 176.905 176.600 0.240 0.000 0.911 314 E CA -0.838 55.734 56.400 0.286 0.000 0.767 314 E CB 1.486 31.287 29.700 0.167 0.000 1.120 314 E HN 0.295 nan 8.360 nan 0.000 0.405 315 K N 2.606 123.051 120.400 0.075 0.000 2.550 315 K HA -0.068 4.252 4.320 0.000 0.000 0.280 315 K C -1.375 175.162 176.600 -0.104 0.000 0.987 315 K CA 0.603 56.608 56.287 -0.470 0.000 1.048 315 K CB 0.314 32.528 32.500 -0.477 0.000 0.879 315 K HN 0.477 nan 8.250 nan 0.000 0.491 316 Y N 2.178 122.326 120.300 -0.254 0.000 2.421 316 Y HA 0.226 4.776 4.550 0.000 0.000 0.339 316 Y C -0.870 174.855 175.900 -0.292 0.000 0.996 316 Y CA -0.593 57.405 58.100 -0.169 0.000 1.046 316 Y CB 1.703 40.161 38.460 -0.003 0.000 1.226 316 Y HN 0.650 nan 8.280 nan 0.000 0.445 317 S N 6.367 121.628 115.700 -0.731 0.000 2.549 317 S HA 0.246 4.716 4.470 0.000 0.000 0.286 317 S C -0.226 173.851 174.600 -0.872 0.000 1.314 317 S CA -0.106 57.566 58.200 -0.880 0.000 1.062 317 S CB 0.201 62.608 63.200 -1.321 0.000 0.865 317 S HN 0.511 nan 8.310 nan 0.000 0.498 318 M N 4.253 123.420 119.600 -0.721 0.000 2.325 318 M HA 0.262 4.742 4.480 0.000 0.000 0.305 318 M C -1.657 174.272 176.300 -0.617 0.000 1.047 318 M CA -0.329 54.592 55.300 -0.633 0.000 0.981 318 M CB 0.021 32.290 32.600 -0.552 0.000 1.307 318 M HN 0.524 nan 8.290 nan 0.000 0.418 319 Y N 0.544 120.396 120.300 -0.747 0.000 2.404 319 Y HA 0.621 5.171 4.550 0.000 0.000 0.344 319 Y C 1.029 176.277 175.900 -1.086 0.000 0.970 319 Y CA -1.136 56.234 58.100 -1.216 0.000 1.180 319 Y CB 0.900 38.068 38.460 -2.153 0.000 1.138 319 Y HN 0.595 nan 8.280 nan 0.000 0.510 320 G N 1.976 110.341 108.800 -0.725 0.000 2.416 320 G HA2 0.656 4.616 3.960 0.000 0.000 0.329 320 G HA3 0.656 4.616 3.960 0.000 0.000 0.329 320 G C -0.955 173.803 174.900 -0.236 0.000 1.173 320 G CA -0.775 43.930 45.100 -0.658 0.000 0.929 320 G HN 0.594 nan 8.290 nan 0.000 0.475 321 V N -0.885 118.988 119.914 -0.067 0.000 3.158 321 V HA 0.972 5.092 4.120 0.000 0.000 0.311 321 V C 0.083 176.137 176.094 -0.067 0.000 1.181 321 V CA -0.476 61.794 62.300 -0.049 0.000 1.054 321 V CB 1.482 33.214 31.823 -0.151 0.000 1.085 321 V HN 1.090 nan 8.190 nan 0.000 0.446 322 T N -0.459 113.995 114.554 -0.167 0.000 2.910 322 T HA 0.855 5.205 4.350 0.000 0.000 0.287 322 T C -0.551 173.947 174.700 -0.338 0.000 1.050 322 T CA -0.829 61.081 62.100 -0.316 0.000 1.011 322 T CB 2.061 70.801 68.868 -0.212 0.000 1.195 322 T HN 1.148 nan 8.240 nan 0.000 0.540 323 R N 0.887 121.166 120.500 -0.367 0.000 2.603 323 R HA 0.188 4.528 4.340 0.000 0.000 0.280 323 R C -1.625 174.582 176.300 -0.155 0.000 1.185 323 R CA -0.366 55.684 56.100 -0.083 0.000 1.039 323 R CB 0.935 31.373 30.300 0.231 0.000 1.247 323 R HN 0.925 nan 8.270 nan 0.000 0.413 324 H N 2.679 121.648 119.070 -0.168 0.000 2.546 324 H HA 0.108 4.664 4.556 0.000 0.000 0.365 324 H C 0.353 175.808 175.328 0.212 0.000 1.220 324 H CA 0.136 56.136 56.048 -0.080 0.000 1.386 324 H CB 1.471 31.065 29.762 -0.281 0.000 1.510 324 H HN 0.507 nan 8.280 nan 0.000 0.591 325 Q N 0.765 120.869 119.800 0.508 0.000 2.242 325 Q HA 0.123 4.463 4.340 0.000 0.000 0.246 325 Q C -0.979 175.227 176.000 0.344 0.000 0.883 325 Q CA -0.610 55.458 55.803 0.442 0.000 0.984 325 Q CB -0.058 28.973 28.738 0.488 0.000 1.096 325 Q HN 0.421 nan 8.270 nan 0.000 0.452 326 D N -0.587 120.052 120.400 0.399 0.000 2.457 326 D HA 0.345 4.985 4.640 0.000 0.000 0.240 326 D C -1.350 175.313 176.300 0.605 0.000 1.041 326 D CA -0.506 53.695 54.000 0.334 0.000 0.861 326 D CB 0.683 41.705 40.800 0.370 0.000 1.394 326 D HN 0.106 nan 8.370 nan 0.000 0.473 327 W N 1.092 122.388 121.300 -0.006 0.000 2.666 327 W HA 0.351 5.011 4.660 0.000 0.000 0.334 327 W C 0.163 176.363 176.519 -0.531 0.000 1.051 327 W CA -1.354 55.906 57.345 -0.141 0.000 1.224 327 W CB 0.939 30.211 29.460 -0.313 0.000 1.405 327 W HN 0.342 nan 8.180 nan 0.000 0.513 328 W N 3.673 124.209 121.300 -1.274 0.000 2.477 328 W HA 0.150 4.810 4.660 0.000 0.000 0.339 328 W C 1.133 177.376 176.519 -0.461 0.000 1.195 328 W CA 2.521 59.113 57.345 -1.256 0.000 1.324 328 W CB 0.436 29.333 29.460 -0.937 0.000 1.170 328 W HN 0.825 nan 8.180 nan 0.000 0.570 329 G N 3.351 111.361 108.800 -1.316 0.000 2.855 329 G HA2 -0.379 3.581 3.960 0.000 0.000 0.231 329 G HA3 -0.379 3.581 3.960 0.000 0.000 0.231 329 G C 0.421 175.026 174.900 -0.492 0.000 1.242 329 G CA 0.679 45.239 45.100 -0.901 0.000 0.789 329 G HN 0.509 nan 8.290 nan 0.000 0.517 330 L N 2.157 123.150 121.223 -0.382 0.000 2.529 330 L HA 0.450 4.790 4.340 0.000 0.000 0.223 330 L C 2.336 178.974 176.870 -0.386 0.000 1.113 330 L CA 1.559 56.194 54.840 -0.343 0.000 0.861 330 L CB -1.686 40.136 42.059 -0.394 0.000 1.012 330 L HN 1.599 nan 8.230 nan 0.000 0.461 331 G N 1.068 109.625 108.800 -0.404 0.000 2.596 331 G HA2 -0.394 3.566 3.960 0.000 0.000 0.295 331 G HA3 -0.394 3.566 3.960 0.000 0.000 0.295 331 G C 0.905 175.343 174.900 -0.770 0.000 1.240 331 G CA 1.000 45.640 45.100 -0.766 0.000 0.985 331 G HN 0.448 nan 8.290 nan 0.000 0.555 332 S N -0.002 115.085 115.700 -1.021 0.000 2.556 332 S HA 0.574 5.044 4.470 0.000 0.000 0.216 332 S C 1.358 175.843 174.600 -0.191 0.000 0.970 332 S CA 1.181 59.080 58.200 -0.501 0.000 0.912 332 S CB 0.497 63.356 63.200 -0.569 0.000 0.790 332 S HN 2.087 nan 8.310 nan 0.000 0.504 333 A N 2.418 125.077 122.820 -0.268 0.000 3.048 333 A HA 0.534 4.854 4.320 0.000 0.000 0.264 333 A C 0.245 177.671 177.584 -0.264 0.000 1.796 333 A CA -0.453 51.482 52.037 -0.169 0.000 1.445 333 A CB -0.706 18.182 19.000 -0.188 0.000 1.074 333 A HN 0.619 nan 8.150 nan 0.000 0.621 334 L N 0.334 121.392 121.223 -0.274 0.000 2.379 334 L HA 0.426 4.766 4.340 0.000 0.000 0.269 334 L C 0.418 177.134 176.870 -0.257 0.000 1.084 334 L CA -0.715 53.831 54.840 -0.491 0.000 0.802 334 L CB 1.171 42.840 42.059 -0.650 0.000 1.175 334 L HN 0.382 nan 8.230 nan 0.000 0.448 335 K N 0.389 120.750 120.400 -0.065 0.000 2.267 335 K HA 0.282 4.602 4.320 0.000 0.000 0.236 335 K C 0.842 177.297 176.600 -0.241 0.000 1.030 335 K CA -0.442 55.779 56.287 -0.111 0.000 0.930 335 K CB 0.574 33.004 32.500 -0.117 0.000 1.182 335 K HN 0.382 nan 8.250 nan 0.000 0.474 336 N N 1.015 119.557 118.700 -0.263 0.000 2.149 336 N HA -0.191 4.549 4.740 0.000 0.000 0.188 336 N C 0.992 176.369 175.510 -0.221 0.000 1.019 336 N CA 0.979 53.822 53.050 -0.346 0.000 0.857 336 N CB 0.112 38.203 38.487 -0.660 0.000 0.997 336 N HN 0.484 nan 8.380 nan 0.000 0.426 337 E N 1.075 121.083 120.200 -0.320 0.000 2.130 337 E HA -0.237 4.113 4.350 0.000 0.000 0.196 337 E C 1.428 177.847 176.600 -0.300 0.000 0.998 337 E CA 1.562 57.785 56.400 -0.295 0.000 0.806 337 E CB -0.987 28.472 29.700 -0.403 0.000 0.738 337 E HN 0.659 nan 8.360 nan 0.000 0.459 338 H N 0.373 119.193 119.070 -0.416 0.000 2.357 338 H HA -0.025 4.531 4.556 0.000 0.000 0.301 338 H C 2.252 177.519 175.328 -0.103 0.000 1.082 338 H CA 1.605 57.250 56.048 -0.671 0.000 1.342 338 H CB -0.251 28.533 29.762 -1.630 0.000 1.389 338 H HN 0.274 nan 8.280 nan 0.000 0.511 339 H N 0.962 120.118 119.070 0.143 0.000 2.253 339 H HA -0.133 4.423 4.556 0.000 0.000 0.296 339 H C 1.702 177.230 175.328 0.332 0.000 1.074 339 H CA 1.488 57.696 56.048 0.267 0.000 1.263 339 H CB -0.470 29.478 29.762 0.310 0.000 1.363 339 H HN 0.414 nan 8.280 nan 0.000 0.489 340 D N 0.394 121.068 120.400 0.457 0.000 2.157 340 D HA -0.194 4.446 4.640 0.000 0.000 0.191 340 D C 2.179 178.678 176.300 0.331 0.000 1.004 340 D CA 1.040 55.250 54.000 0.351 0.000 0.854 340 D CB -0.848 40.124 40.800 0.286 0.000 0.936 340 D HN 0.247 nan 8.370 nan 0.000 0.446 341 F N 1.672 121.765 119.950 0.238 0.000 2.069 341 F HA -0.222 4.305 4.527 0.000 0.000 0.298 341 F C 1.982 178.000 175.800 0.364 0.000 1.113 341 F CA 1.575 59.752 58.000 0.296 0.000 1.214 341 F CB 0.045 39.283 39.000 0.397 0.000 0.978 341 F HN -0.195 nan 8.300 nan 0.000 0.474 342 D N 0.606 121.434 120.400 0.713 0.000 2.123 342 D HA -0.191 4.449 4.640 0.000 0.000 0.196 342 D C 2.471 179.076 176.300 0.507 0.000 0.992 342 D CA 1.450 55.852 54.000 0.669 0.000 0.833 342 D CB -0.591 40.530 40.800 0.536 0.000 0.954 342 D HN 0.333 nan 8.370 nan 0.000 0.455 343 L N 0.639 122.095 121.223 0.387 0.000 2.012 343 L HA -0.214 4.126 4.340 0.000 0.000 0.210 343 L C 2.537 179.509 176.870 0.170 0.000 1.073 343 L CA 1.289 56.295 54.840 0.277 0.000 0.748 343 L CB -0.466 41.736 42.059 0.238 0.000 0.891 343 L HN 0.001 nan 8.230 nan 0.000 0.431 344 A N -0.091 122.793 122.820 0.108 0.000 1.902 344 A HA -0.193 4.127 4.320 0.000 0.000 0.217 344 A C 2.497 180.080 177.584 -0.002 0.000 1.181 344 A CA 1.810 53.855 52.037 0.013 0.000 0.623 344 A CB -0.689 18.264 19.000 -0.078 0.000 0.818 344 A HN 0.432 nan 8.150 nan 0.000 0.443 345 A N -0.471 122.354 122.820 0.007 0.000 1.969 345 A HA -0.009 4.311 4.320 0.000 0.000 0.218 345 A C 2.090 179.718 177.584 0.073 0.000 1.169 345 A CA 1.424 53.501 52.037 0.066 0.000 0.635 345 A CB -0.515 18.582 19.000 0.161 0.000 0.810 345 A HN 0.498 nan 8.150 nan 0.000 0.445 346 I N -0.952 119.674 120.570 0.094 0.000 2.162 346 I HA -0.241 3.929 4.170 0.000 0.000 0.238 346 I C 2.668 178.793 176.117 0.013 0.000 1.076 346 I CA 1.047 62.369 61.300 0.036 0.000 1.353 346 I CB -0.286 37.768 38.000 0.089 0.000 1.063 346 I HN 0.223 nan 8.210 nan 0.000 0.408 347 M N 0.081 119.704 119.600 0.039 0.000 2.088 347 M HA -0.313 4.167 4.480 0.000 0.000 0.256 347 M C 2.176 178.475 176.300 -0.001 0.000 1.071 347 M CA 1.877 57.190 55.300 0.021 0.000 1.097 347 M CB -1.424 31.195 32.600 0.032 0.000 1.315 347 M HN 0.374 nan 8.290 nan 0.000 0.406 348 D N -0.171 120.230 120.400 0.002 0.000 2.144 348 D HA -0.128 4.512 4.640 0.000 0.000 0.199 348 D C 1.925 178.181 176.300 -0.073 0.000 0.984 348 D CA 1.093 55.091 54.000 -0.003 0.000 0.834 348 D CB 0.154 40.976 40.800 0.036 0.000 0.955 348 D HN 0.210 nan 8.370 nan 0.000 0.465 349 V N -0.042 119.778 119.914 -0.157 0.000 3.141 349 V HA 0.052 4.172 4.120 0.000 0.000 0.265 349 V C 1.461 177.436 176.094 -0.199 0.000 1.126 349 V CA 1.687 63.730 62.300 -0.429 0.000 1.141 349 V CB -0.318 31.109 31.823 -0.661 0.000 0.743 349 V HN 0.562 nan 8.190 nan 0.000 0.492 350 G N -0.739 108.042 108.800 -0.032 0.000 2.148 350 G HA2 -0.076 3.884 3.960 0.000 0.000 0.203 350 G HA3 -0.076 3.884 3.960 0.000 0.000 0.203 350 G C 0.208 175.184 174.900 0.127 0.000 0.993 350 G CA 0.125 45.279 45.100 0.089 0.000 0.661 350 G HN 1.387 nan 8.290 nan 0.000 0.518 351 A N 0.144 122.987 122.820 0.038 0.000 2.425 351 A HA 0.726 5.046 4.320 0.000 0.000 0.249 351 A C 1.466 178.957 177.584 -0.156 0.000 1.084 351 A CA 1.398 53.353 52.037 -0.136 0.000 0.781 351 A CB 0.459 19.404 19.000 -0.091 0.000 1.019 351 A HN 1.454 nan 8.150 nan 0.000 0.490 352 T N -1.818 112.575 114.554 -0.268 0.000 2.955 352 T HA 0.318 4.668 4.350 0.000 0.000 0.251 352 T C 0.530 175.147 174.700 -0.139 0.000 1.002 352 T CA 0.747 62.734 62.100 -0.188 0.000 0.970 352 T CB 0.063 68.736 68.868 -0.325 0.000 1.091 352 T HN 0.855 nan 8.240 nan 0.000 0.495 353 T N 1.304 115.727 114.554 -0.218 0.000 2.952 353 T HA 0.620 4.970 4.350 0.000 0.000 0.305 353 T C -1.728 172.953 174.700 -0.033 0.000 1.064 353 T CA -0.460 61.565 62.100 -0.125 0.000 1.008 353 T CB 1.845 70.582 68.868 -0.219 0.000 1.078 353 T HN 0.081 nan 8.240 nan 0.000 0.459 354 V N 5.146 125.057 119.914 -0.004 0.000 2.555 354 V HA 0.614 4.734 4.120 0.000 0.000 0.302 354 V C 0.205 176.093 176.094 -0.344 0.000 1.038 354 V CA -1.045 61.118 62.300 -0.229 0.000 0.887 354 V CB 1.736 33.189 31.823 -0.616 0.000 0.991 354 V HN 0.834 nan 8.190 nan 0.000 0.434 355 R N 3.531 123.674 120.500 -0.594 0.000 2.215 355 R HA 0.386 4.726 4.340 0.000 0.000 0.337 355 R C -1.062 174.740 176.300 -0.830 0.000 1.010 355 R CA -0.465 55.034 56.100 -1.002 0.000 0.871 355 R CB 0.260 29.552 30.300 -1.680 0.000 1.134 355 R HN 0.621 nan 8.270 nan 0.000 0.477 356 F N 4.067 123.847 119.950 -0.282 0.000 2.659 356 F HA 0.233 4.760 4.527 0.000 0.000 0.360 356 F C 1.097 176.641 175.800 -0.426 0.000 1.218 356 F CA -0.268 57.590 58.000 -0.237 0.000 1.317 356 F CB 0.213 39.239 39.000 0.042 0.000 1.697 356 F HN 0.535 nan 8.300 nan 0.000 0.637 357 A N 0.617 123.097 122.820 -0.568 0.000 2.366 357 A HA 0.191 4.511 4.320 0.000 0.000 0.249 357 A C 0.548 177.359 177.584 -1.288 0.000 1.084 357 A CA -0.258 51.298 52.037 -0.802 0.000 0.794 357 A CB 0.253 18.562 19.000 -1.153 0.000 1.034 357 A HN 0.584 nan 8.150 nan 0.000 0.491 358 H N 0.391 118.693 119.070 -1.281 0.000 2.467 358 H HA 0.307 4.863 4.556 0.000 0.000 0.275 358 H C -1.464 173.654 175.328 -0.351 0.000 1.131 358 H CA 0.293 56.043 56.048 -0.497 0.000 0.989 358 H CB -0.131 29.594 29.762 -0.061 0.000 1.696 358 H HN 0.663 nan 8.280 nan 0.000 0.574 359 Y N -2.351 117.916 120.300 -0.055 0.000 2.656 359 Y HA 0.250 4.800 4.550 0.000 0.000 0.334 359 Y C -0.088 175.855 175.900 0.072 0.000 1.179 359 Y CA -1.509 56.500 58.100 -0.151 0.000 1.050 359 Y CB 0.549 38.434 38.460 -0.959 0.000 1.308 359 Y HN -0.127 nan 8.280 nan 0.000 0.456 360 Q N 1.835 121.882 119.800 0.412 0.000 2.304 360 Q HA 0.120 4.460 4.340 0.000 0.000 0.301 360 Q C -0.776 175.497 176.000 0.455 0.000 1.063 360 Q CA 0.521 56.603 55.803 0.465 0.000 0.947 360 Q CB 0.668 29.671 28.738 0.442 0.000 1.201 360 Q HN 0.771 nan 8.270 nan 0.000 0.389 361 Q N 1.404 121.317 119.800 0.190 0.000 2.712 361 Q HA 0.365 4.705 4.340 0.000 0.000 0.267 361 Q C -0.635 175.076 176.000 -0.480 0.000 1.062 361 Q CA -0.762 54.986 55.803 -0.092 0.000 0.888 361 Q CB 1.641 30.236 28.738 -0.238 0.000 1.374 361 Q HN 0.787 nan 8.270 nan 0.000 0.498 362 S N -0.210 115.212 115.700 -0.463 0.000 2.568 362 S HA -0.067 4.403 4.470 0.000 0.000 0.282 362 S C 0.412 174.685 174.600 -0.545 0.000 1.338 362 S CA 0.046 58.005 58.200 -0.401 0.000 1.045 362 S CB 0.596 63.548 63.200 -0.413 0.000 0.873 362 S HN 0.679 nan 8.310 nan 0.000 0.516 363 D N 1.503 121.770 120.400 -0.220 0.000 2.277 363 D HA -0.055 4.585 4.640 0.000 0.000 0.208 363 D C 1.410 177.673 176.300 -0.061 0.000 0.962 363 D CA 1.007 54.970 54.000 -0.063 0.000 0.865 363 D CB -0.207 40.657 40.800 0.107 0.000 0.939 363 D HN 0.766 nan 8.370 nan 0.000 0.510 364 Y N 0.226 120.413 120.300 -0.189 0.000 2.163 364 Y HA -0.104 4.446 4.550 0.000 0.000 0.288 364 Y C 1.952 177.731 175.900 -0.202 0.000 1.136 364 Y CA 1.246 59.264 58.100 -0.136 0.000 1.147 364 Y CB -0.347 38.062 38.460 -0.084 0.000 0.987 364 Y HN 0.032 nan 8.280 nan 0.000 0.509 365 L N -0.693 120.326 121.223 -0.339 0.000 1.989 365 L HA -0.272 4.068 4.340 0.000 0.000 0.211 365 L C 2.148 178.812 176.870 -0.345 0.000 1.071 365 L CA 1.806 56.400 54.840 -0.410 0.000 0.749 365 L CB -0.966 40.726 42.059 -0.612 0.000 0.890 365 L HN 0.240 nan 8.230 nan 0.000 0.431 366 Y N -0.328 119.700 120.300 -0.454 0.000 2.097 366 Y HA -0.255 4.295 4.550 0.000 0.000 0.282 366 Y C 2.944 178.478 175.900 -0.610 0.000 1.152 366 Y CA 1.220 58.974 58.100 -0.577 0.000 1.136 366 Y CB -1.413 36.572 38.460 -0.791 0.000 0.975 366 Y HN 0.220 nan 8.280 nan 0.000 0.498 367 S N -0.176 115.290 115.700 -0.388 0.000 2.374 367 S HA -0.213 4.257 4.470 0.000 0.000 0.227 367 S C 2.113 176.619 174.600 -0.155 0.000 1.037 367 S CA 1.268 59.364 58.200 -0.173 0.000 1.024 367 S CB -0.165 62.988 63.200 -0.079 0.000 0.861 367 S HN 0.360 nan 8.310 nan 0.000 0.456 368 R N 0.375 120.709 120.500 -0.276 0.000 2.148 368 R HA 0.045 4.385 4.340 0.000 0.000 0.227 368 R C 2.344 178.634 176.300 -0.016 0.000 1.103 368 R CA 0.741 56.722 56.100 -0.197 0.000 0.983 368 R CB -1.248 28.854 30.300 -0.330 0.000 0.874 368 R HN 0.471 nan 8.270 nan 0.000 0.451 369 C N 0.795 120.114 119.300 0.032 0.000 2.440 369 C HA -0.052 4.408 4.460 0.000 0.000 0.278 369 C C 1.984 177.116 174.990 0.237 0.000 1.295 369 C CA 0.321 59.434 59.018 0.158 0.000 1.738 369 C CB -0.729 27.135 27.740 0.207 0.000 1.987 369 C HN 0.410 nan 8.230 nan 0.000 0.492 370 D N 0.487 120.985 120.400 0.165 0.000 2.221 370 D HA -0.091 4.549 4.640 0.000 0.000 0.204 370 D C 2.122 178.657 176.300 0.392 0.000 0.982 370 D CA 1.456 55.602 54.000 0.243 0.000 0.857 370 D CB -0.282 40.585 40.800 0.112 0.000 0.934 370 D HN 0.472 nan 8.370 nan 0.000 0.475 371 T N -0.053 114.624 114.554 0.205 0.000 3.004 371 T HA 0.125 4.475 4.350 0.000 0.000 0.243 371 T C 1.916 176.671 174.700 0.092 0.000 1.020 371 T CA 0.024 62.200 62.100 0.127 0.000 1.145 371 T CB 0.148 69.038 68.868 0.037 0.000 0.876 371 T HN 0.078 nan 8.240 nan 0.000 0.449 372 L N 1.068 122.343 121.223 0.086 0.000 2.622 372 L HA 0.227 4.567 4.340 0.000 0.000 0.233 372 L C 1.715 178.602 176.870 0.029 0.000 1.156 372 L CA 0.404 55.274 54.840 0.050 0.000 0.866 372 L CB -1.094 41.004 42.059 0.063 0.000 0.980 372 L HN 0.476 nan 8.230 nan 0.000 0.448 373 G N 1.075 109.941 108.800 0.110 0.000 2.246 373 G HA2 -0.268 3.692 3.960 0.000 0.000 0.273 373 G HA3 -0.268 3.692 3.960 0.000 0.000 0.273 373 G C -0.169 174.812 174.900 0.135 0.000 1.055 373 G CA -0.186 44.880 45.100 -0.055 0.000 0.851 373 G HN 0.138 nan 8.290 nan 0.000 0.500 374 L N 0.131 121.522 121.223 0.280 0.000 2.326 374 L HA 0.635 4.975 4.340 0.000 0.000 0.278 374 L C 0.697 177.756 176.870 0.315 0.000 1.092 374 L CA -0.934 54.041 54.840 0.225 0.000 0.810 374 L CB 1.249 43.423 42.059 0.193 0.000 1.153 374 L HN 0.213 nan 8.230 nan 0.000 0.439 375 I N 5.913 126.601 120.570 0.196 0.000 2.321 375 I HA 0.386 4.557 4.170 0.000 0.000 0.291 375 I C 0.103 176.289 176.117 0.116 0.000 0.998 375 I CA -0.249 61.127 61.300 0.128 0.000 1.227 375 I CB 0.853 38.771 38.000 -0.137 0.000 1.368 375 I HN 0.534 nan 8.210 nan 0.000 0.466 376 I N 3.860 124.557 120.570 0.212 0.000 3.042 376 I HA 0.629 4.799 4.170 0.000 0.000 0.310 376 I C -1.859 174.416 176.117 0.263 0.000 1.117 376 I CA -0.653 60.806 61.300 0.264 0.000 1.003 376 I CB 2.658 40.858 38.000 0.332 0.000 1.228 376 I HN 0.674 nan 8.210 nan 0.000 0.443 377 W N 4.582 125.859 121.300 -0.038 0.000 2.619 377 W HA 0.841 5.501 4.660 0.000 0.000 0.327 377 W C -1.584 174.881 176.519 -0.090 0.000 1.027 377 W CA -1.740 55.456 57.345 -0.247 0.000 1.233 377 W CB 1.135 30.401 29.460 -0.322 0.000 1.370 377 W HN 0.820 nan 8.180 nan 0.000 0.453 378 A N 4.280 127.286 122.820 0.310 0.000 2.320 378 A HA 0.771 5.091 4.320 0.000 0.000 0.334 378 A C -1.050 176.807 177.584 0.455 0.000 1.147 378 A CA -0.556 51.737 52.037 0.427 0.000 0.820 378 A CB 1.588 20.789 19.000 0.335 0.000 1.218 378 A HN 0.707 nan 8.150 nan 0.000 0.482 379 E N 0.667 121.120 120.200 0.422 0.000 2.390 379 E HA 0.586 4.936 4.350 0.000 0.000 0.277 379 E C -1.370 175.389 176.600 0.266 0.000 0.939 379 E CA -0.690 55.919 56.400 0.348 0.000 0.769 379 E CB 1.695 31.654 29.700 0.432 0.000 1.251 379 E HN 0.753 nan 8.360 nan 0.000 0.450 380 I N -0.156 120.553 120.570 0.231 0.000 2.460 380 I HA 0.570 4.740 4.170 0.000 0.000 0.298 380 I C -2.244 174.015 176.117 0.238 0.000 0.989 380 I CA -2.774 58.658 61.300 0.220 0.000 1.173 380 I CB 1.927 40.032 38.000 0.176 0.000 1.338 380 I HN 0.301 nan 8.210 nan 0.000 0.456 381 P HA 0.067 nan 4.420 nan 0.000 0.228 381 P C -0.160 177.294 177.300 0.257 0.000 1.748 381 P CA -0.071 63.227 63.100 0.330 0.000 0.909 381 P CB -0.617 31.322 31.700 0.400 0.000 1.882 382 C N 2.660 122.081 119.300 0.202 0.000 2.192 382 C HA 0.555 5.015 4.460 0.000 0.000 0.337 382 C C 0.189 175.237 174.990 0.097 0.000 1.103 382 C CA -0.340 58.769 59.018 0.152 0.000 1.581 382 C CB -1.747 26.086 27.740 0.155 0.000 2.070 382 C HN 0.361 nan 8.230 nan 0.000 0.485 383 V N 4.498 124.441 119.914 0.049 0.000 3.087 383 V HA 0.643 4.764 4.120 0.000 0.000 0.306 383 V C 0.328 176.386 176.094 -0.060 0.000 1.187 383 V CA 0.006 62.283 62.300 -0.038 0.000 0.999 383 V CB 1.357 33.151 31.823 -0.047 0.000 1.049 383 V HN 0.931 nan 8.190 nan 0.000 0.431 384 N N 0.514 119.145 118.700 -0.115 0.000 1.823 384 N HA -0.190 4.550 4.740 0.000 0.000 0.214 384 N C 0.089 175.565 175.510 -0.057 0.000 0.706 384 N CA 1.943 54.951 53.050 -0.069 0.000 4.239 384 N CB -0.454 38.028 38.487 -0.010 0.000 0.705 384 N HN 0.850 nan 8.380 nan 0.000 0.239 385 R N 0.680 121.160 120.500 -0.035 0.000 2.771 385 R HA 0.557 4.897 4.340 0.000 0.000 0.274 385 R C -0.554 175.745 176.300 -0.002 0.000 0.987 385 R CA -0.360 55.736 56.100 -0.006 0.000 0.908 385 R CB 1.955 32.270 30.300 0.026 0.000 1.213 385 R HN 0.176 nan 8.270 nan 0.000 0.468 386 V N -1.682 118.240 119.914 0.014 0.000 2.769 386 V HA 0.637 4.757 4.120 0.000 0.000 0.312 386 V C 0.941 177.014 176.094 -0.035 0.000 1.058 386 V CA -0.385 61.943 62.300 0.047 0.000 0.952 386 V CB 1.684 33.606 31.823 0.165 0.000 1.019 386 V HN 0.978 nan 8.190 nan 0.000 0.445 387 T N -2.022 112.480 114.554 -0.087 0.000 2.969 387 T HA 0.471 4.821 4.350 0.000 0.000 0.250 387 T C 1.457 175.839 174.700 -0.529 0.000 1.021 387 T CA 1.095 63.098 62.100 -0.162 0.000 1.003 387 T CB 0.537 69.420 68.868 0.025 0.000 1.040 387 T HN 2.316 nan 8.240 nan 0.000 0.492 388 G N 0.743 109.071 108.800 -0.787 0.000 2.195 388 G HA2 -0.214 3.746 3.960 0.000 0.000 0.224 388 G HA3 -0.214 3.746 3.960 0.000 0.000 0.224 388 G C 0.263 174.649 174.900 -0.857 0.000 0.990 388 G CA 0.162 44.400 45.100 -1.437 0.000 0.639 388 G HN 0.545 nan 8.290 nan 0.000 0.514 389 Y N 0.874 121.112 120.300 -0.103 0.000 2.641 389 Y HA 0.327 4.877 4.550 0.000 0.000 0.248 389 Y C 1.858 177.800 175.900 0.070 0.000 1.170 389 Y CA 0.143 58.247 58.100 0.006 0.000 1.201 389 Y CB 0.522 38.974 38.460 -0.014 0.000 1.232 389 Y HN 0.415 nan 8.280 nan 0.000 0.537 390 E N -1.612 118.717 120.200 0.216 0.000 2.476 390 E HA 0.037 4.387 4.350 0.000 0.000 0.199 390 E C 1.047 177.751 176.600 0.174 0.000 1.021 390 E CA 0.586 57.098 56.400 0.187 0.000 0.907 390 E CB -0.416 29.384 29.700 0.166 0.000 0.974 390 E HN 0.175 nan 8.360 nan 0.000 0.489 391 T N 2.414 117.094 114.554 0.210 0.000 2.597 391 T HA -0.223 4.127 4.350 0.000 0.000 0.267 391 T C 1.599 176.355 174.700 0.093 0.000 1.053 391 T CA 2.260 64.444 62.100 0.139 0.000 1.165 391 T CB -0.210 68.738 68.868 0.133 0.000 0.863 391 T HN 0.349 nan 8.240 nan 0.000 0.427 392 E N 0.706 120.962 120.200 0.094 0.000 2.058 392 E HA -0.167 4.183 4.350 0.000 0.000 0.194 392 E C 2.380 179.011 176.600 0.051 0.000 0.997 392 E CA 0.906 57.343 56.400 0.062 0.000 0.801 392 E CB -0.216 29.519 29.700 0.058 0.000 0.746 392 E HN 0.424 nan 8.360 nan 0.000 0.450 393 N N 0.488 119.227 118.700 0.064 0.000 2.244 393 N HA -0.129 4.611 4.740 0.000 0.000 0.183 393 N C 1.782 177.334 175.510 0.070 0.000 1.016 393 N CA 1.068 54.150 53.050 0.054 0.000 0.866 393 N CB 0.088 38.614 38.487 0.064 0.000 0.980 393 N HN 0.096 nan 8.380 nan 0.000 0.430 394 A N 1.029 123.900 122.820 0.086 0.000 1.855 394 A HA -0.157 4.163 4.320 0.000 0.000 0.215 394 A C 2.188 179.808 177.584 0.061 0.000 1.191 394 A CA 1.210 53.300 52.037 0.090 0.000 0.613 394 A CB -0.784 18.273 19.000 0.094 0.000 0.829 394 A HN 0.405 nan 8.150 nan 0.000 0.442 395 Q N -0.566 119.260 119.800 0.043 0.000 2.045 395 Q HA -0.203 4.137 4.340 0.000 0.000 0.206 395 Q C 2.482 178.492 176.000 0.017 0.000 0.991 395 Q CA 2.077 57.892 55.803 0.019 0.000 0.851 395 Q CB -0.326 28.420 28.738 0.013 0.000 0.911 395 Q HN 0.679 nan 8.270 nan 0.000 0.418 396 S N 0.105 115.819 115.700 0.024 0.000 2.368 396 S HA -0.307 4.163 4.470 0.000 0.000 0.226 396 S C 1.893 176.519 174.600 0.044 0.000 1.044 396 S CA 1.916 60.128 58.200 0.021 0.000 1.062 396 S CB -0.169 63.033 63.200 0.002 0.000 0.931 396 S HN 0.390 nan 8.310 nan 0.000 0.440 397 Q N -0.244 119.600 119.800 0.073 0.000 2.124 397 Q HA -0.086 4.255 4.340 0.000 0.000 0.202 397 Q C 2.277 178.325 176.000 0.079 0.000 0.977 397 Q CA 1.449 57.327 55.803 0.124 0.000 0.850 397 Q CB -0.330 28.515 28.738 0.179 0.000 0.901 397 Q HN 0.532 nan 8.270 nan 0.000 0.429 398 L N 1.078 122.318 121.223 0.028 0.000 2.083 398 L HA -0.184 4.156 4.340 0.000 0.000 0.209 398 L C 2.383 179.173 176.870 -0.134 0.000 1.083 398 L CA 1.789 56.594 54.840 -0.058 0.000 0.752 398 L CB -0.396 41.627 42.059 -0.061 0.000 0.899 398 L HN 0.019 nan 8.230 nan 0.000 0.433 399 R N 0.083 120.537 120.500 -0.078 0.000 2.080 399 R HA -0.184 4.156 4.340 0.000 0.000 0.236 399 R C 2.125 178.391 176.300 -0.056 0.000 1.137 399 R CA 2.185 58.233 56.100 -0.086 0.000 0.943 399 R CB -0.529 29.744 30.300 -0.044 0.000 0.846 399 R HN 0.550 nan 8.270 nan 0.000 0.431 400 E N 0.071 120.284 120.200 0.021 0.000 2.077 400 E HA -0.186 4.164 4.350 0.000 0.000 0.193 400 E C 1.931 178.570 176.600 0.065 0.000 0.989 400 E CA 1.264 57.715 56.400 0.084 0.000 0.800 400 E CB -0.274 29.535 29.700 0.180 0.000 0.746 400 E HN 0.271 nan 8.360 nan 0.000 0.452 401 L N 1.341 122.581 121.223 0.027 0.000 1.989 401 L HA -0.207 4.133 4.340 0.000 0.000 0.211 401 L C 2.029 178.767 176.870 -0.219 0.000 1.071 401 L CA 1.720 56.559 54.840 -0.002 0.000 0.749 401 L CB -0.447 41.608 42.059 -0.006 0.000 0.890 401 L HN 0.109 nan 8.230 nan 0.000 0.431 402 I N -0.527 119.734 120.570 -0.515 0.000 2.076 402 I HA -0.332 3.838 4.170 0.000 0.000 0.237 402 I C 2.738 178.848 176.117 -0.011 0.000 1.059 402 I CA 1.707 62.618 61.300 -0.649 0.000 1.317 402 I CB -0.422 37.201 38.000 -0.629 0.000 1.037 402 I HN 0.281 nan 8.210 nan 0.000 0.398 403 R N 0.416 120.935 120.500 0.031 0.000 2.103 403 R HA -0.241 4.099 4.340 0.000 0.000 0.242 403 R C 2.269 178.714 176.300 0.241 0.000 1.142 403 R CA 1.599 57.823 56.100 0.206 0.000 0.960 403 R CB -0.480 29.907 30.300 0.146 0.000 0.858 403 R HN 0.546 nan 8.270 nan 0.000 0.439 404 Q N -0.147 119.749 119.800 0.161 0.000 2.119 404 Q HA -0.025 4.315 4.340 0.000 0.000 0.201 404 Q C 1.161 177.286 176.000 0.208 0.000 0.972 404 Q CA 1.437 57.335 55.803 0.159 0.000 0.847 404 Q CB 0.331 29.169 28.738 0.166 0.000 0.903 404 Q HN 0.203 nan 8.270 nan 0.000 0.433 405 S N -0.082 115.801 115.700 0.306 0.000 2.575 405 S HA 0.098 4.568 4.470 0.000 0.000 0.237 405 S C 0.683 175.510 174.600 0.378 0.000 0.975 405 S CA -0.477 57.977 58.200 0.423 0.000 0.960 405 S CB -0.006 63.565 63.200 0.618 0.000 0.822 405 S HN 0.260 nan 8.310 nan 0.000 0.472 406 F N 3.863 123.921 119.950 0.180 0.000 2.091 406 F HA -0.162 4.365 4.527 0.000 0.000 0.299 406 F C 1.683 177.539 175.800 0.094 0.000 1.103 406 F CA 1.525 59.662 58.000 0.228 0.000 1.228 406 F CB -0.180 38.989 39.000 0.282 0.000 0.984 406 F HN 0.211 nan 8.300 nan 0.000 0.477 407 N N -0.937 117.765 118.700 0.003 0.000 2.494 407 N HA -0.093 4.647 4.740 0.000 0.000 0.182 407 N C -0.139 175.243 175.510 -0.213 0.000 1.076 407 N CA 0.401 53.374 53.050 -0.129 0.000 0.908 407 N CB -0.668 37.749 38.487 -0.117 0.000 0.967 407 N HN 0.289 nan 8.380 nan 0.000 0.449 408 H N 1.133 120.165 119.070 -0.063 0.000 3.082 408 H HA 0.056 4.612 4.556 0.000 0.000 0.275 408 H C -1.223 173.959 175.328 -0.243 0.000 1.032 408 H CA -1.224 54.750 56.048 -0.123 0.000 1.477 408 H CB 0.754 30.468 29.762 -0.081 0.000 1.520 408 H HN 0.060 nan 8.280 nan 0.000 0.521 409 P HA -0.156 nan 4.420 nan 0.000 0.219 409 P C 1.551 178.545 177.300 -0.510 0.000 1.146 409 P CA 1.469 64.249 63.100 -0.533 0.000 0.808 409 P CB 0.312 31.437 31.700 -0.958 0.000 0.779 410 S N -1.359 114.145 115.700 -0.327 0.000 2.453 410 S HA -0.023 4.447 4.470 0.000 0.000 0.231 410 S C 0.906 175.520 174.600 0.024 0.000 1.005 410 S CA 0.257 58.398 58.200 -0.099 0.000 0.949 410 S CB -1.168 62.076 63.200 0.074 0.000 0.774 410 S HN 0.022 nan 8.310 nan 0.000 0.510 411 I N 2.467 122.980 120.570 -0.094 0.000 2.471 411 I HA 0.116 4.286 4.170 0.000 0.000 0.286 411 I C 0.889 176.909 176.117 -0.163 0.000 1.079 411 I CA -0.450 60.702 61.300 -0.246 0.000 1.398 411 I CB 0.744 38.376 38.000 -0.613 0.000 1.403 411 I HN 0.419 nan 8.210 nan 0.000 0.530 412 Y N 5.217 125.286 120.300 -0.385 0.000 2.426 412 Y HA 0.669 5.219 4.550 0.000 0.000 0.249 412 Y C -0.141 175.573 175.900 -0.310 0.000 1.103 412 Y CA -0.388 57.496 58.100 -0.360 0.000 1.256 412 Y CB 0.438 38.506 38.460 -0.654 0.000 1.208 412 Y HN 0.314 nan 8.280 nan 0.000 0.519 413 V N 0.256 119.486 119.914 -1.139 0.000 3.120 413 V HA 0.432 4.552 4.120 0.000 0.000 0.303 413 V C -2.230 173.288 176.094 -0.961 0.000 1.238 413 V CA -1.265 60.406 62.300 -1.049 0.000 1.008 413 V CB 1.833 32.887 31.823 -1.282 0.000 1.064 413 V HN 0.294 nan 8.190 nan 0.000 0.434 414 W N 3.346 124.362 121.300 -0.473 0.000 2.417 414 W HA 0.727 5.388 4.660 0.000 0.000 0.315 414 W C 0.537 176.765 176.519 -0.486 0.000 1.045 414 W CA -0.813 56.307 57.345 -0.375 0.000 1.221 414 W CB 1.958 31.298 29.460 -0.201 0.000 1.309 414 W HN 0.872 nan 8.180 nan 0.000 0.453 415 G N 2.778 111.420 108.800 -0.264 0.000 2.353 415 G HA2 0.377 4.337 3.960 0.000 0.000 0.284 415 G HA3 0.377 4.337 3.960 0.000 0.000 0.284 415 G C -0.002 174.888 174.900 -0.016 0.000 1.172 415 G CA -0.364 44.568 45.100 -0.281 0.000 0.854 415 G HN 0.474 nan 8.290 nan 0.000 0.485 416 L N 1.314 122.501 121.223 -0.060 0.000 2.425 416 L HA 0.289 4.629 4.340 0.000 0.000 0.215 416 L C 1.272 178.198 176.870 0.093 0.000 1.065 416 L CA 0.919 55.756 54.840 -0.004 0.000 0.842 416 L CB -1.263 40.756 42.059 -0.067 0.000 1.033 416 L HN 0.844 nan 8.230 nan 0.000 0.474 417 H N -2.281 116.823 119.070 0.058 0.000 3.037 417 H HA 0.407 4.963 4.556 0.000 0.000 0.336 417 H C -1.462 173.888 175.328 0.038 0.000 1.323 417 H CA -0.871 55.201 56.048 0.040 0.000 1.159 417 H CB 1.576 31.337 29.762 -0.001 0.000 1.882 417 H HN -0.035 nan 8.280 nan 0.000 0.535 418 N N 1.512 120.380 118.700 0.279 0.000 2.558 418 N HA 0.113 4.853 4.740 0.000 0.000 0.285 418 N C -1.457 173.983 175.510 -0.117 0.000 1.112 418 N CA -0.375 52.749 53.050 0.123 0.000 0.857 418 N CB 1.210 39.701 38.487 0.007 0.000 1.376 418 N HN 0.767 nan 8.380 nan 0.000 0.526 419 E N 0.769 120.856 120.200 -0.189 0.000 2.393 419 E HA -0.157 4.193 4.350 0.000 0.000 0.169 419 E C -0.940 175.136 176.600 -0.873 0.000 1.591 419 E CA 0.606 56.724 56.400 -0.469 0.000 0.661 419 E CB -1.729 27.879 29.700 -0.154 0.000 1.097 419 E HN 0.372 nan 8.360 nan 0.000 0.356 420 V N -1.776 117.430 119.914 -1.179 0.000 2.709 420 V HA 0.715 4.835 4.120 0.000 0.000 0.308 420 V C -0.354 175.225 176.094 -0.857 0.000 1.062 420 V CA -0.798 60.989 62.300 -0.854 0.000 0.901 420 V CB 1.309 32.820 31.823 -0.519 0.000 1.003 420 V HN 0.298 nan 8.190 nan 0.000 0.425 421 Y N 0.826 121.168 120.300 0.069 0.000 2.340 421 Y HA 0.495 5.045 4.550 0.000 0.000 0.094 421 Y C 0.683 176.702 175.900 0.198 0.000 1.091 421 Y CA -0.648 57.590 58.100 0.230 0.000 1.743 421 Y CB -0.259 38.377 38.460 0.294 0.000 1.093 421 Y HN 0.445 nan 8.280 nan 0.000 0.228 422 Q N 3.403 123.338 119.800 0.225 0.000 2.361 422 Q HA 0.168 4.508 4.340 0.000 0.000 0.276 422 Q C -2.439 173.573 176.000 0.021 0.000 1.022 422 Q CA -1.538 54.229 55.803 -0.059 0.000 0.898 422 Q CB -0.234 28.430 28.738 -0.123 0.000 1.246 422 Q HN 0.179 nan 8.270 nan 0.000 0.410 423 P HA 0.093 nan 4.420 nan 0.000 0.281 423 P C 0.295 177.658 177.300 0.104 0.000 1.286 423 P CA -0.189 62.897 63.100 -0.024 0.000 0.772 423 P CB 0.500 32.199 31.700 -0.001 0.000 0.862 424 H N 2.565 121.705 119.070 0.117 0.000 2.272 424 H HA -0.216 4.341 4.556 0.000 0.000 0.289 424 H C 1.385 176.771 175.328 0.096 0.000 1.100 424 H CA 2.091 58.208 56.048 0.114 0.000 1.209 424 H CB -0.796 29.009 29.762 0.071 0.000 1.348 424 H HN 0.470 nan 8.280 nan 0.000 0.481 425 E N -0.121 120.208 120.200 0.216 0.000 2.049 425 E HA -0.195 4.155 4.350 0.000 0.000 0.198 425 E C 2.240 178.911 176.600 0.118 0.000 1.007 425 E CA 1.358 57.840 56.400 0.137 0.000 0.809 425 E CB -0.628 29.136 29.700 0.106 0.000 0.749 425 E HN 0.526 nan 8.360 nan 0.000 0.450 426 Y N 1.452 121.776 120.300 0.039 0.000 2.070 426 Y HA -0.292 4.258 4.550 0.000 0.000 0.280 426 Y C 2.336 178.257 175.900 0.035 0.000 1.148 426 Y CA 2.277 60.387 58.100 0.016 0.000 1.125 426 Y CB -0.774 37.672 38.460 -0.023 0.000 0.975 426 Y HN -0.009 nan 8.280 nan 0.000 0.492 427 T N 0.690 115.306 114.554 0.104 0.000 2.822 427 T HA -0.260 4.090 4.350 0.000 0.000 0.270 427 T C 1.921 176.604 174.700 -0.030 0.000 1.064 427 T CA 1.408 63.520 62.100 0.019 0.000 1.131 427 T CB -0.691 68.246 68.868 0.116 0.000 0.858 427 T HN 0.545 nan 8.240 nan 0.000 0.483 428 A N 0.958 123.779 122.820 0.003 0.000 1.903 428 A HA 0.482 4.802 4.320 0.000 0.000 0.213 428 A C 2.656 180.208 177.584 -0.053 0.000 1.185 428 A CA 1.208 53.252 52.037 0.012 0.000 0.628 428 A CB -0.993 18.032 19.000 0.040 0.000 0.830 428 A HN 0.463 nan 8.150 nan 0.000 0.446 429 A N 0.076 122.832 122.820 -0.107 0.000 1.873 429 A HA -0.153 4.167 4.320 0.000 0.000 0.218 429 A C 2.114 179.601 177.584 -0.163 0.000 1.193 429 A CA 1.961 53.920 52.037 -0.130 0.000 0.629 429 A CB -0.804 18.105 19.000 -0.151 0.000 0.826 429 A HN 0.640 nan 8.150 nan 0.000 0.447 430 L N -0.134 120.912 121.223 -0.296 0.000 1.990 430 L HA -0.167 4.173 4.340 0.000 0.000 0.213 430 L C 2.537 179.367 176.870 -0.068 0.000 1.072 430 L CA 2.936 57.639 54.840 -0.229 0.000 0.755 430 L CB -1.373 40.487 42.059 -0.333 0.000 0.889 430 L HN 0.423 nan 8.230 nan 0.000 0.432 431 T N -0.292 114.254 114.554 -0.013 0.000 2.759 431 T HA -0.193 4.157 4.350 0.000 0.000 0.269 431 T C 1.990 176.699 174.700 0.015 0.000 1.042 431 T CA 1.535 63.658 62.100 0.038 0.000 1.140 431 T CB -0.207 68.712 68.868 0.086 0.000 0.864 431 T HN 0.360 nan 8.240 nan 0.000 0.455 432 R N 1.098 121.593 120.500 -0.010 0.000 2.092 432 R HA -0.050 4.290 4.340 0.000 0.000 0.231 432 R C 3.003 179.326 176.300 0.037 0.000 1.119 432 R CA 1.639 57.736 56.100 -0.005 0.000 0.970 432 R CB -0.391 29.890 30.300 -0.031 0.000 0.864 432 R HN 0.520 nan 8.270 nan 0.000 0.440 433 S N 0.797 116.501 115.700 0.005 0.000 2.406 433 S HA -0.046 4.424 4.470 0.000 0.000 0.228 433 S C 2.085 176.699 174.600 0.024 0.000 1.020 433 S CA 0.637 58.843 58.200 0.010 0.000 0.965 433 S CB -0.333 62.858 63.200 -0.015 0.000 0.798 433 S HN 0.176 nan 8.310 nan 0.000 0.488 434 L N 0.784 122.024 121.223 0.028 0.000 2.027 434 L HA -0.054 4.286 4.340 0.000 0.000 0.206 434 L C 2.827 179.720 176.870 0.039 0.000 1.074 434 L CA 1.864 56.718 54.840 0.024 0.000 0.745 434 L CB -0.880 41.194 42.059 0.026 0.000 0.898 434 L HN 0.414 nan 8.230 nan 0.000 0.433 435 H N 0.084 119.135 119.070 -0.031 0.000 2.321 435 H HA -0.294 4.262 4.556 0.000 0.000 0.295 435 H C 2.090 177.410 175.328 -0.012 0.000 1.102 435 H CA 2.366 58.401 56.048 -0.023 0.000 1.266 435 H CB -0.072 29.675 29.762 -0.026 0.000 1.363 435 H HN 0.360 nan 8.280 nan 0.000 0.492 436 D N -0.329 120.127 120.400 0.093 0.000 2.194 436 D HA -0.131 4.509 4.640 0.000 0.000 0.204 436 D C 2.373 178.652 176.300 -0.034 0.000 0.964 436 D CA 0.751 54.774 54.000 0.039 0.000 0.846 436 D CB -0.159 40.685 40.800 0.072 0.000 0.962 436 D HN 0.514 nan 8.370 nan 0.000 0.490 437 L N 0.568 121.770 121.223 -0.035 0.000 2.056 437 L HA -0.075 4.265 4.340 0.000 0.000 0.207 437 L C 2.596 179.414 176.870 -0.087 0.000 1.078 437 L CA 1.563 56.370 54.840 -0.055 0.000 0.749 437 L CB -0.297 41.733 42.059 -0.049 0.000 0.901 437 L HN 0.024 nan 8.230 nan 0.000 0.433 438 A N -0.583 122.173 122.820 -0.106 0.000 1.898 438 A HA -0.177 4.143 4.320 0.000 0.000 0.216 438 A C 2.175 179.713 177.584 -0.078 0.000 1.181 438 A CA 1.407 53.376 52.037 -0.114 0.000 0.620 438 A CB -0.373 18.573 19.000 -0.090 0.000 0.819 438 A HN 0.264 nan 8.150 nan 0.000 0.442 439 K N -0.249 120.065 120.400 -0.143 0.000 2.209 439 K HA -0.064 4.256 4.320 0.000 0.000 0.204 439 K C 1.950 178.516 176.600 -0.057 0.000 1.048 439 K CA 1.649 57.867 56.287 -0.115 0.000 0.940 439 K CB -1.046 31.356 32.500 -0.164 0.000 0.729 439 K HN 0.502 nan 8.250 nan 0.000 0.451 440 T N 0.689 115.207 114.554 -0.060 0.000 2.812 440 T HA -0.099 4.251 4.350 0.000 0.000 0.264 440 T C 1.730 176.391 174.700 -0.065 0.000 1.042 440 T CA 1.371 63.437 62.100 -0.057 0.000 1.140 440 T CB 0.022 68.853 68.868 -0.061 0.000 0.870 440 T HN 0.193 nan 8.240 nan 0.000 0.445 441 E N 0.552 120.714 120.200 -0.064 0.000 2.276 441 E HA 0.035 4.385 4.350 0.000 0.000 0.193 441 E C 0.049 176.670 176.600 0.035 0.000 0.983 441 E CA 0.387 56.733 56.400 -0.090 0.000 0.861 441 E CB 0.460 30.090 29.700 -0.118 0.000 0.817 441 E HN 0.223 nan 8.360 nan 0.000 0.485 442 D N -1.218 119.265 120.400 0.139 0.000 2.934 442 D HA 0.155 4.795 4.640 0.000 0.000 0.249 442 D C -2.364 174.037 176.300 0.168 0.000 1.293 442 D CA -1.364 52.845 54.000 0.349 0.000 0.812 442 D CB 0.828 41.967 40.800 0.564 0.000 1.439 442 D HN -0.123 nan 8.370 nan 0.000 0.555 443 P HA 0.036 nan 4.420 nan 0.000 0.231 443 P C 0.400 177.684 177.300 -0.026 0.000 1.158 443 P CA 0.611 63.717 63.100 0.010 0.000 0.763 443 P CB 0.382 32.082 31.700 -0.001 0.000 0.805 444 D N -1.277 119.114 120.400 -0.016 0.000 2.350 444 D HA 0.066 4.706 4.640 0.000 0.000 0.213 444 D C 0.791 176.980 176.300 -0.185 0.000 1.031 444 D CA 0.412 54.353 54.000 -0.099 0.000 0.861 444 D CB 0.235 40.984 40.800 -0.085 0.000 0.926 444 D HN 0.209 nan 8.370 nan 0.000 0.520 445 R N -0.256 120.154 120.500 -0.150 0.000 2.720 445 R HA 0.383 4.723 4.340 0.000 0.000 0.272 445 R C -0.388 175.758 176.300 -0.256 0.000 0.991 445 R CA -0.748 55.202 56.100 -0.250 0.000 1.010 445 R CB 1.140 31.248 30.300 -0.320 0.000 1.141 445 R HN -0.098 nan 8.270 nan 0.000 0.494 446 Y N 0.022 120.244 120.300 -0.130 0.000 2.258 446 Y HA 0.128 4.678 4.550 0.000 0.000 0.345 446 Y C 1.250 177.036 175.900 -0.191 0.000 1.303 446 Y CA 0.148 58.174 58.100 -0.123 0.000 1.537 446 Y CB 0.732 39.133 38.460 -0.097 0.000 1.383 446 Y HN 0.535 nan 8.280 nan 0.000 0.606 447 T N -1.598 112.986 114.554 0.051 0.000 2.906 447 T HA 0.733 5.083 4.350 0.000 0.000 0.295 447 T C -1.348 173.275 174.700 -0.129 0.000 1.061 447 T CA -0.840 61.224 62.100 -0.060 0.000 1.000 447 T CB 1.508 70.377 68.868 0.002 0.000 1.103 447 T HN 0.634 nan 8.240 nan 0.000 0.486 448 V N 1.106 120.851 119.914 -0.282 0.000 3.049 448 V HA 0.898 5.019 4.120 0.000 0.000 0.309 448 V C -1.128 174.782 176.094 -0.306 0.000 1.148 448 V CA -0.070 62.025 62.300 -0.343 0.000 0.990 448 V CB 2.341 33.748 31.823 -0.694 0.000 1.039 448 V HN 1.591 nan 8.190 nan 0.000 0.430 449 S N 3.728 119.280 115.700 -0.247 0.000 2.569 449 S HA 0.874 5.344 4.470 0.000 0.000 0.280 449 S C -1.421 173.120 174.600 -0.098 0.000 1.111 449 S CA -0.674 57.326 58.200 -0.333 0.000 0.887 449 S CB 1.873 64.636 63.200 -0.729 0.000 1.095 449 S HN 1.001 nan 8.310 nan 0.000 0.476 450 V N 2.966 122.916 119.914 0.060 0.000 2.444 450 V HA 0.566 4.686 4.120 0.000 0.000 0.294 450 V C -0.448 175.778 176.094 0.220 0.000 1.022 450 V CA -0.731 61.685 62.300 0.193 0.000 0.850 450 V CB 1.446 33.416 31.823 0.247 0.000 0.992 450 V HN 0.958 nan 8.190 nan 0.000 0.426 451 N N 2.997 121.796 118.700 0.165 0.000 2.370 451 N HA 0.432 5.173 4.740 0.000 0.000 0.303 451 N C 0.955 176.554 175.510 0.148 0.000 1.103 451 N CA 0.141 53.291 53.050 0.167 0.000 0.848 451 N CB 2.493 41.042 38.487 0.104 0.000 1.235 451 N HN 0.671 nan 8.380 nan 0.000 0.496 452 G N 1.015 109.952 108.800 0.228 0.000 2.623 452 G HA2 -0.036 3.924 3.960 0.000 0.000 0.214 452 G HA3 -0.036 3.924 3.960 0.000 0.000 0.214 452 G C 0.061 174.886 174.900 -0.125 0.000 1.138 452 G CA 0.547 45.669 45.100 0.036 0.000 0.794 452 G HN 0.505 nan 8.290 nan 0.000 0.535 453 Y N -0.530 119.729 120.300 -0.068 0.000 2.298 453 Y HA 0.454 5.004 4.550 0.000 0.000 0.329 453 Y C 1.715 177.596 175.900 -0.031 0.000 1.293 453 Y CA 0.162 58.216 58.100 -0.077 0.000 1.388 453 Y CB 1.252 39.624 38.460 -0.146 0.000 1.309 453 Y HN -0.076 nan 8.280 nan 0.000 0.544 454 G N -0.924 108.025 108.800 0.248 0.000 2.744 454 G HA2 -0.031 3.929 3.960 0.000 0.000 0.211 454 G HA3 -0.031 3.929 3.960 0.000 0.000 0.211 454 G C -0.230 175.009 174.900 0.565 0.000 1.146 454 G CA -0.015 45.268 45.100 0.304 0.000 0.787 454 G HN 0.797 nan 8.290 nan 0.000 0.534 455 H N -2.279 117.006 119.070 0.359 0.000 2.502 455 H HA 0.629 5.185 4.556 0.000 0.000 0.327 455 H C 1.369 176.799 175.328 0.169 0.000 1.099 455 H CA -0.881 55.331 56.048 0.274 0.000 1.323 455 H CB 1.802 31.695 29.762 0.218 0.000 1.450 455 H HN -0.096 nan 8.280 nan 0.000 0.502 456 M N 1.628 121.261 119.600 0.055 0.000 2.077 456 M HA -0.141 4.339 4.480 0.000 0.000 0.261 456 M C 0.997 177.227 176.300 -0.116 0.000 1.070 456 M CA 1.479 56.659 55.300 -0.200 0.000 1.125 456 M CB -0.132 31.981 32.600 -0.812 0.000 1.339 456 M HN 0.907 nan 8.290 nan 0.000 0.409 457 D N -0.295 120.111 120.400 0.010 0.000 2.826 457 D HA -0.150 4.491 4.640 0.000 0.000 0.247 457 D C -0.176 176.180 176.300 0.093 0.000 1.238 457 D CA 0.146 54.192 54.000 0.077 0.000 0.894 457 D CB -1.305 39.587 40.800 0.153 0.000 1.100 457 D HN 0.449 nan 8.370 nan 0.000 0.453 458 H N 0.862 119.874 119.070 -0.096 0.000 2.582 458 H HA 0.127 4.683 4.556 0.000 0.000 0.345 458 H C -1.628 173.608 175.328 -0.153 0.000 1.104 458 H CA -1.574 54.364 56.048 -0.184 0.000 1.390 458 H CB 1.780 31.301 29.762 -0.402 0.000 1.461 458 H HN -0.159 nan 8.280 nan 0.000 0.551 459 P HA -0.202 nan 4.420 nan 0.000 0.217 459 P C 1.239 178.520 177.300 -0.031 0.000 1.148 459 P CA 1.818 64.739 63.100 -0.298 0.000 0.834 459 P CB 0.165 31.413 31.700 -0.752 0.000 0.783 460 V N -5.958 114.098 119.914 0.237 0.000 3.483 460 V HA 0.279 4.399 4.120 0.000 0.000 0.301 460 V C 0.454 176.652 176.094 0.172 0.000 1.389 460 V CA -0.239 62.178 62.300 0.194 0.000 1.101 460 V CB -0.826 31.127 31.823 0.217 0.000 0.971 460 V HN -0.098 nan 8.190 nan 0.000 0.434 461 N N 1.215 119.999 118.700 0.141 0.000 2.424 461 N HA 0.573 5.313 4.740 0.000 0.000 0.257 461 N C 0.521 176.042 175.510 0.018 0.000 1.250 461 N CA 0.000 53.089 53.050 0.064 0.000 0.946 461 N CB 1.042 39.550 38.487 0.035 0.000 1.175 461 N HN 0.336 nan 8.380 nan 0.000 0.477 462 L N -0.673 120.541 121.223 -0.015 0.000 4.793 462 L HA -0.229 4.111 4.340 0.000 0.000 0.404 462 L C 0.085 176.910 176.870 -0.075 0.000 1.022 462 L CA 0.144 54.962 54.840 -0.037 0.000 1.242 462 L CB -1.256 40.791 42.059 -0.020 0.000 2.049 462 L HN 0.576 nan 8.230 nan 0.000 0.637 463 N N 0.469 119.115 118.700 -0.090 0.000 2.276 463 N HA 0.444 5.184 4.740 0.000 0.000 0.212 463 N C 0.439 175.806 175.510 -0.239 0.000 1.127 463 N CA 0.919 53.874 53.050 -0.160 0.000 0.834 463 N CB 0.894 39.326 38.487 -0.092 0.000 1.014 463 N HN 0.505 nan 8.380 nan 0.000 0.491 464 A N -0.440 122.293 122.820 -0.145 0.000 2.594 464 A HA 0.382 4.702 4.320 0.000 0.000 0.291 464 A C 0.174 177.789 177.584 0.052 0.000 1.105 464 A CA -0.564 51.486 52.037 0.022 0.000 0.694 464 A CB 1.032 20.045 19.000 0.022 0.000 1.291 464 A HN -0.128 nan 8.150 nan 0.000 0.410 465 D N -0.135 120.376 120.400 0.184 0.000 2.133 465 D HA -0.083 4.557 4.640 0.000 0.000 0.195 465 D C 0.303 176.615 176.300 0.020 0.000 0.997 465 D CA 2.057 56.147 54.000 0.150 0.000 0.840 465 D CB -0.050 40.911 40.800 0.269 0.000 0.947 465 D HN 0.503 nan 8.370 nan 0.000 0.452 466 I N -0.321 120.224 120.570 -0.042 0.000 2.608 466 I HA 0.188 4.358 4.170 0.000 0.000 0.295 466 I C -0.306 175.773 176.117 -0.062 0.000 1.049 466 I CA -0.932 60.321 61.300 -0.078 0.000 1.063 466 I CB 2.288 40.215 38.000 -0.121 0.000 1.248 466 I HN -0.367 nan 8.210 nan 0.000 0.424 467 Q N 3.603 123.383 119.800 -0.033 0.000 2.372 467 Q HA 0.614 4.954 4.340 0.000 0.000 0.259 467 Q C -0.508 175.523 176.000 0.051 0.000 0.993 467 Q CA -0.343 55.457 55.803 -0.005 0.000 0.854 467 Q CB 1.666 30.399 28.738 -0.009 0.000 1.231 467 Q HN 0.797 nan 8.270 nan 0.000 0.462 468 G N 3.777 112.636 108.800 0.099 0.000 2.371 468 G HA2 0.668 4.628 3.960 0.000 0.000 0.326 468 G HA3 0.668 4.628 3.960 0.000 0.000 0.326 468 G C -0.820 174.181 174.900 0.169 0.000 1.127 468 G CA -0.663 44.550 45.100 0.188 0.000 0.885 468 G HN 0.622 nan 8.290 nan 0.000 0.477 469 M N 2.044 121.754 119.600 0.183 0.000 2.204 469 M HA 0.250 4.730 4.480 0.000 0.000 0.293 469 M C -0.982 175.342 176.300 0.041 0.000 0.994 469 M CA -0.987 54.397 55.300 0.141 0.000 0.925 469 M CB 2.238 34.978 32.600 0.234 0.000 1.577 469 M HN 0.303 nan 8.290 nan 0.000 0.439 470 N N 4.101 122.788 118.700 -0.022 0.000 2.452 470 N HA 0.249 4.989 4.740 0.000 0.000 0.266 470 N C -0.836 174.529 175.510 -0.243 0.000 1.175 470 N CA 0.094 53.066 53.050 -0.129 0.000 0.945 470 N CB 0.649 39.101 38.487 -0.058 0.000 1.063 470 N HN 0.428 nan 8.380 nan 0.000 0.472 471 R N 2.661 122.909 120.500 -0.420 0.000 2.502 471 R HA 0.251 4.591 4.340 0.000 0.000 0.300 471 R C -0.970 175.002 176.300 -0.547 0.000 0.984 471 R CA -0.480 55.272 56.100 -0.579 0.000 0.882 471 R CB 0.937 30.771 30.300 -0.777 0.000 1.180 471 R HN 0.572 nan 8.270 nan 0.000 0.444 472 Y N 2.446 122.542 120.300 -0.341 0.000 2.747 472 Y HA 0.329 4.879 4.550 0.000 0.000 0.362 472 Y C -0.254 175.538 175.900 -0.178 0.000 1.026 472 Y CA -0.647 57.357 58.100 -0.161 0.000 1.135 472 Y CB 0.429 38.822 38.460 -0.112 0.000 1.175 472 Y HN 0.396 nan 8.280 nan 0.000 0.643 473 F N 1.094 121.088 119.950 0.074 0.000 2.495 473 F HA 0.422 4.949 4.527 0.000 0.000 0.365 473 F C 1.443 177.319 175.800 0.127 0.000 1.090 473 F CA 0.829 58.864 58.000 0.059 0.000 1.235 473 F CB 0.897 39.895 39.000 -0.003 0.000 1.119 473 F HN 0.645 nan 8.300 nan 0.000 0.562 474 G N 2.466 111.461 108.800 0.326 0.000 2.253 474 G HA2 -0.313 3.647 3.960 0.000 0.000 0.251 474 G HA3 -0.313 3.647 3.960 0.000 0.000 0.251 474 G C 0.960 176.069 174.900 0.349 0.000 0.998 474 G CA 0.369 45.669 45.100 0.335 0.000 0.621 474 G HN 0.712 nan 8.290 nan 0.000 0.524 475 W N -0.088 121.229 121.300 0.028 0.000 3.008 475 W HA 0.305 4.965 4.660 0.000 0.000 0.259 475 W C 1.901 178.132 176.519 -0.480 0.000 1.045 475 W CA 1.402 58.602 57.345 -0.241 0.000 1.814 475 W CB 0.112 29.328 29.460 -0.408 0.000 1.089 475 W HN 0.246 nan 8.180 nan 0.000 0.606 476 Y N 1.144 121.365 120.300 -0.132 0.000 2.510 476 Y HA 0.068 4.618 4.550 0.000 0.000 0.273 476 Y C 0.373 176.129 175.900 -0.241 0.000 1.119 476 Y CA 0.770 58.592 58.100 -0.463 0.000 1.286 476 Y CB 0.537 38.712 38.460 -0.475 0.000 1.061 476 Y HN -0.106 nan 8.280 nan 0.000 0.542 477 E N -0.454 119.755 120.200 0.015 0.000 2.400 477 E HA 0.262 4.612 4.350 0.000 0.000 0.285 477 E C -1.038 175.640 176.600 0.129 0.000 1.005 477 E CA -0.891 55.534 56.400 0.042 0.000 0.816 477 E CB 1.711 31.402 29.700 -0.015 0.000 1.220 477 E HN -0.131 nan 8.360 nan 0.000 0.426 478 K N 0.497 120.988 120.400 0.152 0.000 1.312 478 K HA -0.135 4.185 4.320 0.000 0.000 0.723 478 K C -0.481 176.234 176.600 0.191 0.000 1.921 478 K CA 0.582 56.988 56.287 0.198 0.000 1.159 478 K CB -1.111 31.596 32.500 0.345 0.000 2.100 478 K HN 0.716 nan 8.250 nan 0.000 0.497 479 K N 0.825 121.322 120.400 0.162 0.000 2.132 479 K HA 0.370 4.690 4.320 0.000 0.000 0.241 479 K C 1.861 178.534 176.600 0.122 0.000 1.000 479 K CA -0.467 55.890 56.287 0.116 0.000 0.911 479 K CB 0.385 32.900 32.500 0.025 0.000 1.093 479 K HN 0.507 nan 8.250 nan 0.000 0.460 480 I N 1.049 121.648 120.570 0.049 0.000 2.493 480 I HA -0.277 3.893 4.170 0.000 0.000 0.254 480 I C 1.476 177.497 176.117 -0.161 0.000 1.160 480 I CA 1.348 62.642 61.300 -0.010 0.000 1.445 480 I CB -0.018 37.906 38.000 -0.126 0.000 1.086 480 I HN 0.456 nan 8.210 nan 0.000 0.433 481 Q N -0.009 119.592 119.800 -0.330 0.000 2.451 481 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 481 Q C 1.318 177.175 176.000 -0.239 0.000 0.947 481 Q CA 0.615 56.116 55.803 -0.502 0.000 0.937 481 Q CB -0.136 28.265 28.738 -0.563 0.000 1.025 481 Q HN 0.346 nan 8.270 nan 0.000 0.511 482 D N 0.294 120.529 120.400 -0.274 0.000 2.378 482 D HA -0.080 4.560 4.640 0.000 0.000 0.222 482 D C 1.212 177.012 176.300 -0.833 0.000 0.980 482 D CA 0.427 54.156 54.000 -0.452 0.000 0.907 482 D CB 0.121 40.682 40.800 -0.398 0.000 0.899 482 D HN 0.320 nan 8.370 nan 0.000 0.527 483 I N 0.724 120.896 120.570 -0.663 0.000 3.241 483 I HA -0.198 3.972 4.170 0.000 0.000 0.280 483 I C 2.001 178.066 176.117 -0.086 0.000 1.320 483 I CA 0.731 61.781 61.300 -0.418 0.000 1.413 483 I CB 0.131 38.143 38.000 0.020 0.000 1.060 483 I HN -0.116 nan 8.210 nan 0.000 0.500 484 K N 1.531 121.868 120.400 -0.104 0.000 2.108 484 K HA 0.079 4.399 4.320 0.000 0.000 0.204 484 K C -0.787 175.771 176.600 -0.070 0.000 1.036 484 K CA 0.584 56.837 56.287 -0.056 0.000 0.965 484 K CB -0.820 31.703 32.500 0.037 0.000 0.804 484 K HN 0.083 nan 8.250 nan 0.000 0.454 485 P HA -0.186 nan 4.420 nan 0.000 0.215 485 P C 1.038 178.348 177.300 0.017 0.000 1.153 485 P CA 1.103 64.191 63.100 -0.021 0.000 0.853 485 P CB -0.283 31.409 31.700 -0.014 0.000 0.788 486 W N 1.283 122.488 121.300 -0.158 0.000 2.277 486 W HA -0.252 4.408 4.660 0.000 0.000 0.330 486 W C 2.281 178.782 176.519 -0.029 0.000 1.263 486 W CA 1.909 59.223 57.345 -0.051 0.000 1.211 486 W CB -1.370 28.073 29.460 -0.029 0.000 1.167 486 W HN -0.212 nan 8.180 nan 0.000 0.459 487 V N 1.368 121.111 119.914 -0.286 0.000 2.546 487 V HA -0.310 3.810 4.120 0.000 0.000 0.254 487 V C 2.126 177.966 176.094 -0.423 0.000 1.076 487 V CA 2.742 64.677 62.300 -0.610 0.000 1.087 487 V CB -0.611 30.918 31.823 -0.491 0.000 0.674 487 V HN 0.388 nan 8.190 nan 0.000 0.470 488 E N -1.006 119.030 120.200 -0.273 0.000 2.208 488 E HA -0.234 4.116 4.350 0.000 0.000 0.193 488 E C 2.144 178.638 176.600 -0.177 0.000 0.988 488 E CA 1.152 57.458 56.400 -0.156 0.000 0.828 488 E CB 0.030 29.697 29.700 -0.056 0.000 0.763 488 E HN 0.593 nan 8.360 nan 0.000 0.478 489 Q N 0.594 120.291 119.800 -0.173 0.000 2.163 489 Q HA -0.004 4.336 4.340 0.000 0.000 0.198 489 Q C 1.948 177.863 176.000 -0.143 0.000 0.954 489 Q CA 0.777 56.507 55.803 -0.122 0.000 0.851 489 Q CB 0.041 28.761 28.738 -0.031 0.000 0.928 489 Q HN 0.224 nan 8.270 nan 0.000 0.459 490 L N 0.817 121.901 121.223 -0.232 0.000 1.970 490 L HA -0.251 4.089 4.340 0.000 0.000 0.212 490 L C 2.356 178.980 176.870 -0.411 0.000 1.071 490 L CA 2.149 56.902 54.840 -0.144 0.000 0.751 490 L CB -0.808 41.112 42.059 -0.233 0.000 0.889 490 L HN 0.443 nan 8.230 nan 0.000 0.432 491 E N 0.015 119.681 120.200 -0.890 0.000 2.171 491 E HA -0.293 4.057 4.350 0.000 0.000 0.197 491 E C 2.085 178.315 176.600 -0.617 0.000 0.997 491 E CA 1.300 56.889 56.400 -1.351 0.000 0.810 491 E CB -0.245 28.872 29.700 -0.971 0.000 0.738 491 E HN 0.424 nan 8.360 nan 0.000 0.467 492 K N 0.375 120.551 120.400 -0.374 0.000 2.044 492 K HA -0.102 4.218 4.320 0.000 0.000 0.204 492 K C 1.288 177.737 176.600 -0.251 0.000 1.049 492 K CA 1.390 57.525 56.287 -0.253 0.000 0.945 492 K CB 0.159 32.552 32.500 -0.179 0.000 0.724 492 K HN 0.043 nan 8.250 nan 0.000 0.440 493 D N -0.896 119.345 120.400 -0.264 0.000 2.289 493 D HA -0.053 4.587 4.640 0.000 0.000 0.207 493 D C -0.176 175.666 176.300 -0.764 0.000 0.966 493 D CA 0.941 54.654 54.000 -0.478 0.000 0.868 493 D CB 0.306 40.802 40.800 -0.506 0.000 0.943 493 D HN 0.190 nan 8.370 nan 0.000 0.514 494 Y N -0.736 119.524 120.300 -0.066 0.000 2.501 494 Y HA 0.228 4.778 4.550 0.000 0.000 0.331 494 Y C -1.757 174.169 175.900 0.043 0.000 0.950 494 Y CA -1.544 56.581 58.100 0.043 0.000 1.120 494 Y CB 1.253 39.780 38.460 0.112 0.000 1.154 494 Y HN -0.088 nan 8.280 nan 0.000 0.630 495 P HA -0.198 nan 4.420 nan 0.000 0.219 495 P C 0.664 177.922 177.300 -0.070 0.000 1.146 495 P CA 1.682 64.675 63.100 -0.178 0.000 0.808 495 P CB 0.191 31.620 31.700 -0.451 0.000 0.779 496 Y N -0.339 120.065 120.300 0.173 0.000 2.511 496 Y HA 0.075 4.625 4.550 0.000 0.000 0.279 496 Y C 1.505 177.488 175.900 0.138 0.000 1.157 496 Y CA 0.159 58.341 58.100 0.136 0.000 1.300 496 Y CB -0.400 38.116 38.460 0.093 0.000 1.052 496 Y HN 0.013 nan 8.280 nan 0.000 0.529 497 Q N 1.449 121.429 119.800 0.301 0.000 2.256 497 Q HA 0.187 4.527 4.340 0.000 0.000 0.254 497 Q C -0.402 175.614 176.000 0.027 0.000 0.916 497 Q CA -0.382 55.523 55.803 0.171 0.000 0.932 497 Q CB 1.354 30.196 28.738 0.173 0.000 1.207 497 Q HN 0.262 nan 8.270 nan 0.000 0.426 498 K N 2.402 122.791 120.400 -0.019 0.000 2.412 498 K HA 0.208 4.528 4.320 0.000 0.000 0.284 498 K C -0.369 176.144 176.600 -0.145 0.000 1.046 498 K CA -0.033 56.190 56.287 -0.107 0.000 0.999 498 K CB 0.250 32.691 32.500 -0.098 0.000 0.941 498 K HN 0.393 nan 8.250 nan 0.000 0.474 499 L N 4.640 125.707 121.223 -0.260 0.000 2.404 499 L HA 0.406 4.746 4.340 0.000 0.000 0.272 499 L C -1.212 175.587 176.870 -0.119 0.000 0.980 499 L CA -0.338 54.372 54.840 -0.216 0.000 0.836 499 L CB 1.294 43.113 42.059 -0.400 0.000 1.238 499 L HN 0.578 nan 8.230 nan 0.000 0.408 500 M N 5.342 124.968 119.600 0.044 0.000 2.364 500 M HA 0.378 4.858 4.480 0.000 0.000 0.334 500 M C -1.014 175.407 176.300 0.202 0.000 1.107 500 M CA -0.861 54.525 55.300 0.144 0.000 0.988 500 M CB 2.051 34.829 32.600 0.296 0.000 1.673 500 M HN 0.477 nan 8.290 nan 0.000 0.441 501 L N 3.589 124.926 121.223 0.190 0.000 2.295 501 L HA 0.279 4.619 4.340 0.000 0.000 0.288 501 L C 0.910 177.895 176.870 0.192 0.000 1.079 501 L CA 0.575 55.528 54.840 0.187 0.000 0.830 501 L CB 0.497 42.618 42.059 0.104 0.000 1.200 501 L HN 0.884 nan 8.230 nan 0.000 0.438 502 T N 0.523 115.174 114.554 0.162 0.000 3.060 502 T HA 0.355 4.705 4.350 0.000 0.000 0.249 502 T C 0.403 175.118 174.700 0.024 0.000 1.079 502 T CA 0.031 62.202 62.100 0.119 0.000 1.013 502 T CB -0.017 68.883 68.868 0.054 0.000 0.975 502 T HN 0.625 nan 8.240 nan 0.000 0.518 503 E N 0.005 120.213 120.200 0.014 0.000 2.388 503 E HA 0.537 4.887 4.350 0.000 0.000 0.280 503 E C -1.992 174.502 176.600 -0.177 0.000 1.019 503 E CA -1.252 55.109 56.400 -0.066 0.000 0.806 503 E CB 2.479 31.985 29.700 -0.324 0.000 1.246 503 E HN 0.512 nan 8.360 nan 0.000 0.443 504 Y N -1.032 118.942 120.300 -0.543 0.000 2.643 504 Y HA 0.607 5.157 4.550 0.000 0.000 0.347 504 Y C -0.562 175.190 175.900 -0.246 0.000 1.208 504 Y CA -0.428 57.237 58.100 -0.725 0.000 1.245 504 Y CB 0.878 39.129 38.460 -0.348 0.000 1.369 504 Y HN 0.822 nan 8.280 nan 0.000 0.487 505 G N 0.603 109.210 108.800 -0.323 0.000 2.343 505 G HA2 0.651 4.611 3.960 0.000 0.000 0.289 505 G HA3 0.651 4.611 3.960 0.000 0.000 0.289 505 G C -2.111 172.708 174.900 -0.136 0.000 1.295 505 G CA -0.269 44.696 45.100 -0.224 0.000 0.869 505 G HN 1.779 nan 8.290 nan 0.000 0.522 506 A N -0.394 122.287 122.820 -0.232 0.000 2.486 506 A HA 0.739 5.059 4.320 0.000 0.000 0.300 506 A C -0.648 176.484 177.584 -0.753 0.000 1.048 506 A CA -0.540 51.054 52.037 -0.738 0.000 0.696 506 A CB 1.430 20.387 19.000 -0.072 0.000 1.278 506 A HN 0.623 nan 8.150 nan 0.000 0.405 507 D N 0.604 120.139 120.400 -1.442 0.000 2.419 507 D HA 0.384 5.024 4.640 0.000 0.000 0.236 507 D C 0.149 176.317 176.300 -0.220 0.000 1.165 507 D CA 1.424 55.016 54.000 -0.680 0.000 0.882 507 D CB 1.053 41.418 40.800 -0.725 0.000 1.201 507 D HN 0.833 nan 8.370 nan 0.000 0.443 508 A N 2.133 124.944 122.820 -0.015 0.000 2.476 508 A HA 0.206 4.526 4.320 0.000 0.000 0.280 508 A C -0.694 176.955 177.584 0.108 0.000 1.081 508 A CA -0.783 51.303 52.037 0.082 0.000 0.753 508 A CB 0.965 19.993 19.000 0.046 0.000 1.248 508 A HN 0.396 nan 8.150 nan 0.000 0.424 509 N N 3.377 122.174 118.700 0.162 0.000 2.457 509 N HA 0.322 5.062 4.740 0.000 0.000 0.250 509 N C 0.940 176.428 175.510 -0.037 0.000 0.982 509 N CA -0.607 52.483 53.050 0.066 0.000 0.941 509 N CB 0.819 39.378 38.487 0.119 0.000 1.120 509 N HN 0.620 nan 8.380 nan 0.000 0.505 510 L N 2.436 123.633 121.223 -0.043 0.000 2.081 510 L HA -0.209 4.131 4.340 0.000 0.000 0.212 510 L C 2.232 179.065 176.870 -0.061 0.000 1.080 510 L CA 1.548 56.371 54.840 -0.027 0.000 0.754 510 L CB -0.615 41.435 42.059 -0.015 0.000 0.893 510 L HN 0.554 nan 8.230 nan 0.000 0.433 511 A N -0.876 121.848 122.820 -0.161 0.000 2.032 511 A HA -0.168 4.152 4.320 0.000 0.000 0.221 511 A C 0.705 178.220 177.584 -0.116 0.000 1.165 511 A CA 1.032 52.960 52.037 -0.182 0.000 0.645 511 A CB -0.924 17.895 19.000 -0.302 0.000 0.807 511 A HN 0.497 nan 8.150 nan 0.000 0.453 512 H N -0.347 118.716 119.070 -0.012 0.000 2.502 512 H HA 0.555 5.112 4.556 0.000 0.000 0.327 512 H C -0.525 174.780 175.328 -0.039 0.000 1.099 512 H CA -0.526 55.451 56.048 -0.119 0.000 1.323 512 H CB 0.789 30.003 29.762 -0.914 0.000 1.450 512 H HN 0.269 nan 8.280 nan 0.000 0.502 513 Q N 2.052 122.039 119.800 0.312 0.000 2.295 513 Q HA 0.410 4.750 4.340 0.000 0.000 0.268 513 Q C -0.926 175.261 176.000 0.311 0.000 1.010 513 Q CA -0.567 55.369 55.803 0.221 0.000 0.856 513 Q CB 2.892 31.709 28.738 0.131 0.000 1.349 513 Q HN 0.751 nan 8.270 nan 0.000 0.412 514 T N -0.597 114.104 114.554 0.245 0.000 2.770 514 T HA 0.264 4.614 4.350 0.000 0.000 0.323 514 T C -0.860 173.948 174.700 0.180 0.000 1.683 514 T CA -0.272 61.986 62.100 0.264 0.000 1.024 514 T CB 1.198 70.306 68.868 0.399 0.000 1.557 514 T HN 0.734 nan 8.240 nan 0.000 0.494 515 E N 0.986 121.272 120.200 0.143 0.000 2.562 515 E HA 0.138 4.488 4.350 0.000 0.000 0.214 515 E C -0.790 175.784 176.600 -0.042 0.000 0.979 515 E CA -0.351 56.055 56.400 0.010 0.000 1.002 515 E CB 0.089 29.726 29.700 -0.105 0.000 1.048 515 E HN 0.582 nan 8.360 nan 0.000 0.488 516 Y N 2.148 122.506 120.300 0.096 0.000 2.573 516 Y HA 0.241 4.791 4.550 0.000 0.000 0.346 516 Y C -0.203 175.779 175.900 0.137 0.000 1.198 516 Y CA 0.060 58.217 58.100 0.096 0.000 1.627 516 Y CB 0.176 38.680 38.460 0.073 0.000 1.457 516 Y HN 0.072 nan 8.280 nan 0.000 0.483 517 L N 2.587 123.927 121.223 0.195 0.000 2.349 517 L HA 0.600 4.940 4.340 0.000 0.000 0.278 517 L C 0.770 177.762 176.870 0.204 0.000 0.996 517 L CA -0.747 54.240 54.840 0.246 0.000 0.825 517 L CB 1.757 43.952 42.059 0.226 0.000 1.243 517 L HN 0.606 nan 8.230 nan 0.000 0.412 518 G N 0.926 109.873 108.800 0.245 0.000 2.510 518 G HA2 0.154 4.114 3.960 0.000 0.000 0.280 518 G HA3 0.154 4.114 3.960 0.000 0.000 0.280 518 G C 0.178 175.215 174.900 0.229 0.000 1.386 518 G CA -0.207 45.008 45.100 0.191 0.000 1.047 518 G HN 0.613 nan 8.290 nan 0.000 0.527 519 D N -0.280 120.219 120.400 0.166 0.000 2.213 519 D HA 0.170 4.810 4.640 0.000 0.000 0.205 519 D C 1.377 177.836 176.300 0.265 0.000 0.961 519 D CA 1.073 55.152 54.000 0.131 0.000 0.853 519 D CB 0.277 41.106 40.800 0.048 0.000 0.967 519 D HN 0.395 nan 8.370 nan 0.000 0.496 520 A N 0.167 123.158 122.820 0.284 0.000 2.309 520 A HA 0.725 5.045 4.320 0.000 0.000 0.317 520 A C -0.978 176.676 177.584 0.116 0.000 1.134 520 A CA -0.571 51.646 52.037 0.301 0.000 0.866 520 A CB 1.456 20.541 19.000 0.141 0.000 1.329 520 A HN 0.159 nan 8.150 nan 0.000 0.477 521 L N 0.487 121.567 121.223 -0.237 0.000 2.408 521 L HA 0.437 4.777 4.340 0.000 0.000 0.268 521 L C -0.598 176.015 176.870 -0.428 0.000 0.986 521 L CA -0.759 53.717 54.840 -0.606 0.000 0.820 521 L CB 1.779 42.931 42.059 -1.512 0.000 1.303 521 L HN 0.756 nan 8.230 nan 0.000 0.411 522 N N 4.929 123.458 118.700 -0.285 0.000 2.410 522 N HA -0.061 4.679 4.740 0.000 0.000 0.281 522 N C 0.720 176.058 175.510 -0.287 0.000 1.241 522 N CA 0.013 52.931 53.050 -0.221 0.000 0.998 522 N CB 0.364 38.760 38.487 -0.152 0.000 1.376 522 N HN 0.793 nan 8.380 nan 0.000 0.490 523 W N 3.452 124.372 121.300 -0.633 0.000 2.699 523 W HA 0.137 4.797 4.660 0.000 0.000 0.249 523 W C 0.912 177.347 176.519 -0.140 0.000 1.280 523 W CA 0.395 57.335 57.345 -0.675 0.000 1.345 523 W CB -1.052 27.692 29.460 -1.194 0.000 1.128 523 W HN 0.360 nan 8.180 nan 0.000 0.642 524 G N 1.727 110.102 108.800 -0.709 0.000 2.464 524 G HA2 -0.128 3.832 3.960 0.000 0.000 0.217 524 G HA3 -0.128 3.832 3.960 0.000 0.000 0.217 524 G C 0.792 175.469 174.900 -0.371 0.000 1.138 524 G CA 0.514 45.171 45.100 -0.740 0.000 0.793 524 G HN 0.358 nan 8.290 nan 0.000 0.539 525 K N 0.069 120.330 120.400 -0.232 0.000 2.168 525 K HA 0.515 4.835 4.320 0.000 0.000 0.239 525 K C -2.598 173.913 176.600 -0.149 0.000 0.999 525 K CA -1.707 54.485 56.287 -0.158 0.000 0.900 525 K CB 2.075 34.502 32.500 -0.120 0.000 1.111 525 K HN -0.245 nan 8.250 nan 0.000 0.452 526 P HA 0.172 nan 4.420 nan 0.000 0.244 526 P C -1.459 175.690 177.300 -0.251 0.000 1.632 526 P CA -0.063 62.907 63.100 -0.215 0.000 0.944 526 P CB -0.217 31.418 31.700 -0.110 0.000 1.569 527 F N 1.455 121.149 119.950 -0.427 0.000 2.403 527 F HA 0.384 4.911 4.527 0.000 0.000 0.355 527 F C -0.776 174.940 175.800 -0.141 0.000 1.119 527 F CA -1.385 56.259 58.000 -0.594 0.000 1.007 527 F CB 0.852 39.608 39.000 -0.407 0.000 1.194 527 F HN -0.108 nan 8.300 nan 0.000 0.443 528 Y N 6.595 126.569 120.300 -0.543 0.000 2.919 528 Y HA 0.337 4.887 4.550 0.000 0.000 0.341 528 Y C -2.394 173.393 175.900 -0.189 0.000 1.045 528 Y CA -3.723 54.310 58.100 -0.113 0.000 1.218 528 Y CB -0.113 38.467 38.460 0.200 0.000 1.137 528 Y HN 0.341 nan 8.280 nan 0.000 0.577 529 P HA 0.061 nan 4.420 nan 0.000 0.276 529 P C 0.961 178.330 177.300 0.116 0.000 1.264 529 P CA 0.137 63.166 63.100 -0.119 0.000 0.769 529 P CB 1.286 32.962 31.700 -0.040 0.000 0.840 530 E N 3.370 123.629 120.200 0.098 0.000 2.200 530 E HA -0.318 4.032 4.350 0.000 0.000 0.211 530 E C 1.250 177.935 176.600 0.141 0.000 1.048 530 E CA 2.863 59.331 56.400 0.114 0.000 0.851 530 E CB -0.339 29.417 29.700 0.092 0.000 0.747 530 E HN 0.539 nan 8.360 nan 0.000 0.462 531 T N -1.092 113.546 114.554 0.141 0.000 2.685 531 T HA -0.255 4.095 4.350 0.000 0.000 0.268 531 T C 1.700 176.499 174.700 0.166 0.000 1.034 531 T CA 1.554 63.736 62.100 0.137 0.000 1.149 531 T CB -0.810 68.135 68.868 0.128 0.000 0.860 531 T HN 0.315 nan 8.240 nan 0.000 0.449 532 F N 2.017 122.026 119.950 0.098 0.000 2.186 532 F HA -0.012 4.515 4.527 0.000 0.000 0.299 532 F C 2.848 178.716 175.800 0.114 0.000 1.090 532 F CA 1.479 59.552 58.000 0.122 0.000 1.307 532 F CB -0.445 38.660 39.000 0.175 0.000 1.019 532 F HN 0.196 nan 8.300 nan 0.000 0.489 533 Q N -0.199 119.763 119.800 0.270 0.000 2.014 533 Q HA -0.246 4.094 4.340 0.000 0.000 0.207 533 Q C 1.955 178.022 176.000 0.113 0.000 0.993 533 Q CA 3.055 58.963 55.803 0.175 0.000 0.850 533 Q CB -0.468 28.344 28.738 0.124 0.000 0.916 533 Q HN 0.396 nan 8.270 nan 0.000 0.417 534 T N 0.797 115.380 114.554 0.049 0.000 2.720 534 T HA -0.195 4.155 4.350 0.000 0.000 0.268 534 T C 1.647 176.250 174.700 -0.162 0.000 1.037 534 T CA 1.580 63.656 62.100 -0.040 0.000 1.144 534 T CB -0.270 68.610 68.868 0.020 0.000 0.864 534 T HN 0.348 nan 8.240 nan 0.000 0.444 535 K N 0.534 120.843 120.400 -0.152 0.000 2.057 535 K HA -0.140 4.180 4.320 0.000 0.000 0.207 535 K C 2.341 178.806 176.600 -0.225 0.000 1.049 535 K CA 1.482 57.652 56.287 -0.194 0.000 0.931 535 K CB -0.327 32.030 32.500 -0.238 0.000 0.714 535 K HN 0.232 nan 8.250 nan 0.000 0.440 536 T N 0.672 115.055 114.554 -0.285 0.000 2.555 536 T HA -0.178 4.172 4.350 0.000 0.000 0.264 536 T C 1.637 176.272 174.700 -0.107 0.000 1.083 536 T CA 1.552 63.527 62.100 -0.208 0.000 1.179 536 T CB -0.557 68.190 68.868 -0.203 0.000 0.863 536 T HN 0.393 nan 8.240 nan 0.000 0.412 537 H N 1.010 120.025 119.070 -0.092 0.000 2.387 537 H HA -0.049 4.507 4.556 0.000 0.000 0.299 537 H C 2.463 177.644 175.328 -0.245 0.000 1.099 537 H CA 1.451 57.497 56.048 -0.003 0.000 1.315 537 H CB -0.119 29.653 29.762 0.016 0.000 1.380 537 H HN 0.545 nan 8.280 nan 0.000 0.513 538 E N 0.145 119.959 120.200 -0.644 0.000 2.049 538 E HA -0.230 4.120 4.350 0.000 0.000 0.198 538 E C 2.071 178.520 176.600 -0.252 0.000 1.007 538 E CA 1.397 57.146 56.400 -1.084 0.000 0.809 538 E CB -0.218 28.872 29.700 -1.018 0.000 0.749 538 E HN 0.421 nan 8.360 nan 0.000 0.450 539 Y N 1.344 121.490 120.300 -0.257 0.000 2.220 539 Y HA -0.177 4.373 4.550 0.000 0.000 0.291 539 Y C 2.207 177.999 175.900 -0.179 0.000 1.129 539 Y CA 1.595 59.452 58.100 -0.404 0.000 1.161 539 Y CB 0.124 38.305 38.460 -0.465 0.000 0.997 539 Y HN -0.005 nan 8.280 nan 0.000 0.522 540 Q N -0.859 119.016 119.800 0.125 0.000 2.123 540 Q HA -0.226 4.114 4.340 0.000 0.000 0.199 540 Q C 2.124 178.230 176.000 0.178 0.000 0.966 540 Q CA 1.330 57.231 55.803 0.163 0.000 0.845 540 Q CB -0.622 28.276 28.738 0.267 0.000 0.907 540 Q HN 0.731 nan 8.270 nan 0.000 0.439 541 W N 1.456 122.876 121.300 0.201 0.000 2.425 541 W HA -0.171 4.489 4.660 0.000 0.000 0.277 541 W C 2.056 178.626 176.519 0.085 0.000 1.231 541 W CA 1.639 59.136 57.345 0.253 0.000 1.248 541 W CB 0.026 29.713 29.460 0.378 0.000 1.117 541 W HN 0.209 nan 8.180 nan 0.000 0.568 542 S N 0.743 116.378 115.700 -0.108 0.000 2.382 542 S HA -0.216 4.254 4.470 0.000 0.000 0.228 542 S C 1.745 176.111 174.600 -0.391 0.000 1.027 542 S CA 1.383 59.409 58.200 -0.291 0.000 0.991 542 S CB -0.833 62.196 63.200 -0.285 0.000 0.823 542 S HN 0.160 nan 8.310 nan 0.000 0.469 543 I N 1.798 122.128 120.570 -0.400 0.000 2.286 543 I HA -0.015 4.155 4.170 0.000 0.000 0.245 543 I C 2.492 178.516 176.117 -0.154 0.000 1.104 543 I CA 0.902 62.058 61.300 -0.240 0.000 1.397 543 I CB -1.150 36.720 38.000 -0.216 0.000 1.072 543 I HN 0.339 nan 8.210 nan 0.000 0.417 544 I N 0.783 121.196 120.570 -0.261 0.000 2.248 544 I HA -0.334 3.836 4.170 0.000 0.000 0.248 544 I C 2.577 178.438 176.117 -0.426 0.000 1.107 544 I CA 1.425 62.550 61.300 -0.292 0.000 1.373 544 I CB -0.385 37.448 38.000 -0.279 0.000 1.055 544 I HN 0.218 nan 8.210 nan 0.000 0.418 545 K N 0.405 120.371 120.400 -0.724 0.000 2.211 545 K HA -0.166 4.154 4.320 0.000 0.000 0.203 545 K C 0.530 176.955 176.600 -0.291 0.000 1.050 545 K CA 1.222 57.131 56.287 -0.630 0.000 0.945 545 K CB 0.094 32.164 32.500 -0.717 0.000 0.732 545 K HN 0.269 nan 8.250 nan 0.000 0.451 546 D N -0.511 119.766 120.400 -0.204 0.000 2.388 546 D HA 0.061 4.701 4.640 0.000 0.000 0.221 546 D C -0.759 175.336 176.300 -0.342 0.000 1.133 546 D CA 0.232 54.100 54.000 -0.220 0.000 0.831 546 D CB 0.352 41.008 40.800 -0.240 0.000 0.962 546 D HN 0.158 nan 8.370 nan 0.000 0.502 547 H N -0.730 118.262 119.070 -0.130 0.000 2.953 547 H HA 0.250 4.806 4.556 0.000 0.000 0.290 547 H C -1.831 173.473 175.328 -0.039 0.000 1.113 547 H CA -1.548 54.459 56.048 -0.068 0.000 1.454 547 H CB 1.535 31.267 29.762 -0.050 0.000 1.525 547 H HN -0.189 nan 8.280 nan 0.000 0.505 548 P HA -0.195 nan 4.420 nan 0.000 0.228 548 P C 1.106 178.446 177.300 0.067 0.000 1.151 548 P CA 0.825 63.937 63.100 0.020 0.000 0.770 548 P CB 0.078 31.781 31.700 0.004 0.000 0.786 549 Y N 0.313 120.609 120.300 -0.007 0.000 2.497 549 Y HA 0.034 4.584 4.550 0.000 0.000 0.292 549 Y C 0.823 176.708 175.900 -0.025 0.000 1.137 549 Y CA 0.496 58.585 58.100 -0.018 0.000 1.285 549 Y CB -0.530 37.911 38.460 -0.032 0.000 0.991 549 Y HN -0.171 nan 8.280 nan 0.000 0.556 550 I N 1.360 121.914 120.570 -0.028 0.000 2.260 550 I HA -0.004 4.166 4.170 0.000 0.000 0.297 550 I C 0.783 176.852 176.117 -0.081 0.000 1.143 550 I CA -0.159 61.090 61.300 -0.085 0.000 1.271 550 I CB 0.347 38.339 38.000 -0.014 0.000 1.461 550 I HN 0.141 nan 8.210 nan 0.000 0.530 551 I N 4.820 125.323 120.570 -0.112 0.000 2.248 551 I HA -0.226 3.944 4.170 0.000 0.000 0.248 551 I C 1.214 177.298 176.117 -0.056 0.000 1.107 551 I CA 1.323 62.591 61.300 -0.054 0.000 1.373 551 I CB -0.199 37.789 38.000 -0.019 0.000 1.055 551 I HN 0.650 nan 8.210 nan 0.000 0.418 552 A N -1.109 121.686 122.820 -0.042 0.000 2.589 552 A HA 0.740 5.060 4.320 0.000 0.000 0.296 552 A C -0.561 176.973 177.584 -0.084 0.000 1.062 552 A CA -0.189 51.777 52.037 -0.118 0.000 0.686 552 A CB 1.115 20.050 19.000 -0.108 0.000 1.282 552 A HN 0.059 nan 8.150 nan 0.000 0.404 553 S N 0.032 115.597 115.700 -0.224 0.000 2.568 553 S HA 0.867 5.337 4.470 0.000 0.000 0.293 553 S C -1.447 172.960 174.600 -0.322 0.000 1.089 553 S CA -0.571 57.564 58.200 -0.108 0.000 0.945 553 S CB 1.263 64.460 63.200 -0.003 0.000 1.077 553 S HN 0.725 nan 8.310 nan 0.000 0.485 554 Y N 1.330 121.725 120.300 0.158 0.000 2.331 554 Y HA 0.456 5.006 4.550 0.000 0.000 0.326 554 Y C -0.447 175.632 175.900 0.300 0.000 1.020 554 Y CA -1.100 57.070 58.100 0.116 0.000 1.136 554 Y CB 1.466 39.871 38.460 -0.092 0.000 1.157 554 Y HN 0.860 nan 8.280 nan 0.000 0.444 555 L N 0.425 121.844 121.223 0.326 0.000 2.375 555 L HA 0.492 4.832 4.340 0.000 0.000 0.271 555 L C -0.631 176.302 176.870 0.104 0.000 1.107 555 L CA -0.808 54.034 54.840 0.002 0.000 0.806 555 L CB 1.213 43.097 42.059 -0.292 0.000 1.146 555 L HN 0.717 nan 8.230 nan 0.000 0.447 556 W N 4.680 125.883 121.300 -0.161 0.000 2.294 556 W HA 0.454 5.114 4.660 0.000 0.000 0.314 556 W C -0.860 175.639 176.519 -0.035 0.000 1.044 556 W CA -0.387 56.936 57.345 -0.036 0.000 1.284 556 W CB 1.357 30.890 29.460 0.121 0.000 1.231 556 W HN 0.796 nan 8.180 nan 0.000 0.419 557 N N 4.568 123.134 118.700 -0.223 0.000 2.591 557 N HA 0.112 4.852 4.740 0.000 0.000 0.263 557 N C 0.328 175.631 175.510 -0.344 0.000 1.308 557 N CA -0.415 52.373 53.050 -0.437 0.000 0.837 557 N CB 1.741 39.701 38.487 -0.878 0.000 1.548 557 N HN 0.389 nan 8.380 nan 0.000 0.493 558 M N 1.107 120.480 119.600 -0.378 0.000 2.267 558 M HA 0.214 4.694 4.480 0.000 0.000 0.263 558 M C -0.890 174.920 176.300 -0.818 0.000 1.063 558 M CA 1.650 56.592 55.300 -0.596 0.000 1.090 558 M CB -0.319 31.899 32.600 -0.636 0.000 1.392 558 M HN 0.445 nan 8.290 nan 0.000 0.422 559 F N -0.749 119.148 119.950 -0.089 0.000 2.601 559 F HA 0.338 4.865 4.527 0.000 0.000 0.309 559 F C 0.012 175.811 175.800 -0.002 0.000 1.089 559 F CA -1.961 56.025 58.000 -0.023 0.000 0.940 559 F CB 0.744 39.762 39.000 0.029 0.000 1.273 559 F HN -0.271 nan 8.300 nan 0.000 0.450 560 D N 1.824 122.329 120.400 0.175 0.000 2.378 560 D HA 0.320 4.960 4.640 0.000 0.000 0.238 560 D C -0.533 175.718 176.300 -0.081 0.000 1.180 560 D CA 0.766 54.770 54.000 0.007 0.000 0.895 560 D CB 0.669 41.446 40.800 -0.037 0.000 1.192 560 D HN 0.397 nan 8.370 nan 0.000 0.438 561 F N -2.089 117.531 119.950 -0.550 0.000 2.668 561 F HA 0.640 5.167 4.527 0.000 0.000 0.309 561 F C -0.915 174.423 175.800 -0.770 0.000 1.117 561 F CA -1.521 55.959 58.000 -0.866 0.000 0.951 561 F CB 0.774 39.577 39.000 -0.329 0.000 1.323 561 F HN 0.282 nan 8.300 nan 0.000 0.451 562 A N 1.054 123.543 122.820 -0.552 0.000 2.425 562 A HA 0.591 4.911 4.320 0.000 0.000 0.249 562 A C -0.594 176.967 177.584 -0.038 0.000 1.084 562 A CA -0.353 51.611 52.037 -0.123 0.000 0.781 562 A CB 0.446 19.622 19.000 0.293 0.000 1.019 562 A HN 1.032 nan 8.150 nan 0.000 0.490 563 V N 5.272 125.167 119.914 -0.032 0.000 2.462 563 V HA 0.199 4.319 4.120 0.000 0.000 0.257 563 V C -1.743 174.405 176.094 0.089 0.000 0.944 563 V CA -0.516 61.828 62.300 0.073 0.000 0.903 563 V CB 1.290 33.162 31.823 0.082 0.000 1.128 563 V HN 0.880 nan 8.190 nan 0.000 0.486 564 P HA -0.114 nan 4.420 nan 0.000 0.231 564 P C 1.223 178.548 177.300 0.042 0.000 1.158 564 P CA 0.830 63.896 63.100 -0.057 0.000 0.763 564 P CB 0.515 31.958 31.700 -0.429 0.000 0.805 565 M N -2.121 117.486 119.600 0.011 0.000 2.486 565 M HA 0.175 4.655 4.480 0.000 0.000 0.264 565 M C 0.011 176.029 176.300 -0.470 0.000 1.125 565 M CA 0.967 56.145 55.300 -0.203 0.000 1.144 565 M CB 0.107 32.515 32.600 -0.320 0.000 1.353 565 M HN -0.211 nan 8.290 nan 0.000 0.466 566 W N -1.922 119.448 121.300 0.117 0.000 2.820 566 W HA 0.529 5.189 4.660 0.000 0.000 0.350 566 W C -0.469 176.110 176.519 0.099 0.000 1.116 566 W CA -0.890 56.521 57.345 0.109 0.000 1.146 566 W CB 1.090 30.627 29.460 0.128 0.000 1.433 566 W HN -0.381 nan 8.180 nan 0.000 0.561 567 T N 2.665 117.438 114.554 0.366 0.000 3.155 567 T HA 0.437 4.787 4.350 0.000 0.000 0.384 567 T C -0.522 174.299 174.700 0.201 0.000 1.351 567 T CA -0.528 61.708 62.100 0.227 0.000 1.198 567 T CB -0.511 68.447 68.868 0.151 0.000 1.106 567 T HN 0.161 nan 8.240 nan 0.000 0.564 568 R N 1.228 121.855 120.500 0.212 0.000 2.536 568 R HA 0.651 4.991 4.340 0.000 0.000 0.279 568 R C 1.294 177.603 176.300 0.014 0.000 1.001 568 R CA 0.127 56.334 56.100 0.180 0.000 1.027 568 R CB 0.632 31.159 30.300 0.378 0.000 1.096 568 R HN 0.660 nan 8.270 nan 0.000 0.502 569 G N 0.785 109.385 108.800 -0.333 0.000 2.390 569 G HA2 -0.167 3.793 3.960 0.000 0.000 0.299 569 G HA3 -0.167 3.793 3.960 0.000 0.000 0.299 569 G C 0.765 175.548 174.900 -0.195 0.000 1.002 569 G CA 1.066 45.690 45.100 -0.793 0.000 0.979 569 G HN 1.184 nan 8.290 nan 0.000 0.513 570 G N -3.085 105.674 108.800 -0.068 0.000 2.246 570 G HA2 0.165 4.125 3.960 0.000 0.000 0.273 570 G HA3 0.165 4.125 3.960 0.000 0.000 0.273 570 G C 0.515 175.437 174.900 0.037 0.000 1.055 570 G CA 1.053 46.173 45.100 0.034 0.000 0.851 570 G HN 2.433 nan 8.290 nan 0.000 0.500 571 V N -1.060 118.879 119.914 0.042 0.000 2.851 571 V HA 0.681 4.801 4.120 0.000 0.000 0.290 571 V C -2.509 173.640 176.094 0.090 0.000 1.330 571 V CA -1.326 61.007 62.300 0.054 0.000 0.944 571 V CB 2.602 34.441 31.823 0.026 0.000 1.090 571 V HN 0.178 nan 8.190 nan 0.000 0.436 572 P HA 0.281 nan 4.420 nan 0.000 0.265 572 P C 0.412 177.807 177.300 0.158 0.000 1.193 572 P CA 1.452 64.634 63.100 0.136 0.000 0.765 572 P CB 1.252 33.036 31.700 0.139 0.000 0.823 573 A N 1.113 124.030 122.820 0.162 0.000 2.869 573 A HA -0.210 4.110 4.320 0.000 0.000 0.280 573 A C 0.270 177.918 177.584 0.106 0.000 1.458 573 A CA 1.157 53.285 52.037 0.151 0.000 0.776 573 A CB -2.320 16.785 19.000 0.176 0.000 1.028 573 A HN 0.687 nan 8.150 nan 0.000 0.547 574 R N 0.489 121.025 120.500 0.061 0.000 2.514 574 R HA 0.499 4.839 4.340 0.000 0.000 0.296 574 R C -0.751 175.471 176.300 -0.129 0.000 1.012 574 R CA -0.399 55.663 56.100 -0.063 0.000 0.897 574 R CB 0.765 31.070 30.300 0.008 0.000 1.184 574 R HN 0.439 nan 8.270 nan 0.000 0.440 575 N N 4.844 123.280 118.700 -0.440 0.000 2.422 575 N HA 0.172 4.912 4.740 0.000 0.000 0.264 575 N C -0.471 174.838 175.510 -0.335 0.000 1.063 575 N CA 0.021 52.793 53.050 -0.462 0.000 0.959 575 N CB 0.901 38.749 38.487 -1.065 0.000 1.087 575 N HN 0.716 nan 8.380 nan 0.000 0.483 576 M N 3.509 123.043 119.600 -0.110 0.000 2.771 576 M HA 0.183 4.663 4.480 0.000 0.000 0.341 576 M C 0.783 177.029 176.300 -0.090 0.000 1.226 576 M CA -0.197 55.068 55.300 -0.058 0.000 0.955 576 M CB 0.526 33.166 32.600 0.067 0.000 1.318 576 M HN 0.292 nan 8.290 nan 0.000 0.514 577 K N 0.131 120.461 120.400 -0.118 0.000 2.458 577 K HA 0.196 4.516 4.320 0.000 0.000 0.194 577 K C 0.877 177.410 176.600 -0.112 0.000 1.024 577 K CA -0.076 56.139 56.287 -0.119 0.000 1.108 577 K CB -0.060 32.426 32.500 -0.023 0.000 0.846 577 K HN 0.399 nan 8.250 nan 0.000 0.518 578 G N 1.389 110.130 108.800 -0.099 0.000 2.568 578 G HA2 -0.005 3.955 3.960 0.000 0.000 0.231 578 G HA3 -0.005 3.955 3.960 0.000 0.000 0.231 578 G C 0.714 175.532 174.900 -0.137 0.000 1.261 578 G CA -0.462 44.576 45.100 -0.104 0.000 0.855 578 G HN 0.009 nan 8.290 nan 0.000 0.576 579 L N 1.563 122.664 121.223 -0.202 0.000 2.162 579 L HA 0.300 4.640 4.340 0.000 0.000 0.205 579 L C 1.622 178.433 176.870 -0.098 0.000 1.086 579 L CA 0.867 55.608 54.840 -0.166 0.000 0.778 579 L CB -0.635 41.298 42.059 -0.209 0.000 0.928 579 L HN 0.462 nan 8.230 nan 0.000 0.446 580 I N -1.836 118.658 120.570 -0.128 0.000 3.205 580 I HA 0.255 4.425 4.170 0.000 0.000 0.310 580 I C 0.430 176.579 176.117 0.054 0.000 1.089 580 I CA -0.661 60.615 61.300 -0.040 0.000 1.023 580 I CB 1.647 39.646 38.000 -0.003 0.000 1.269 580 I HN 0.022 nan 8.210 nan 0.000 0.512 581 T N -1.719 112.881 114.554 0.077 0.000 2.944 581 T HA 0.255 4.605 4.350 0.000 0.000 0.284 581 T C 0.644 175.420 174.700 0.127 0.000 1.010 581 T CA -0.472 61.667 62.100 0.064 0.000 1.025 581 T CB 1.195 70.056 68.868 -0.012 0.000 1.079 581 T HN 0.394 nan 8.240 nan 0.000 0.516 582 F N 2.058 121.961 119.950 -0.078 0.000 2.250 582 F HA -0.067 4.460 4.527 0.000 0.000 0.301 582 F C 1.648 177.380 175.800 -0.114 0.000 1.077 582 F CA 1.556 59.526 58.000 -0.050 0.000 1.348 582 F CB -0.636 38.365 39.000 0.002 0.000 1.040 582 F HN 0.782 nan 8.300 nan 0.000 0.509 583 D N -1.252 119.070 120.400 -0.129 0.000 2.339 583 D HA -0.042 4.598 4.640 0.000 0.000 0.217 583 D C 0.847 176.926 176.300 -0.367 0.000 1.050 583 D CA 0.150 54.024 54.000 -0.211 0.000 0.856 583 D CB -0.236 40.471 40.800 -0.155 0.000 0.922 583 D HN 0.104 nan 8.370 nan 0.000 0.518 584 R N -0.987 119.322 120.500 -0.318 0.000 3.854 584 R HA -0.138 4.202 4.340 0.000 0.000 0.352 584 R C 0.897 177.138 176.300 -0.097 0.000 1.156 584 R CA 1.131 57.056 56.100 -0.291 0.000 0.917 584 R CB -2.483 27.268 30.300 -0.915 0.000 1.471 584 R HN 0.332 nan 8.270 nan 0.000 0.521 585 K N -1.226 119.136 120.400 -0.062 0.000 2.190 585 K HA 0.179 4.499 4.320 0.000 0.000 0.202 585 K C 0.200 176.813 176.600 0.021 0.000 1.045 585 K CA 1.310 57.592 56.287 -0.008 0.000 0.976 585 K CB 0.537 33.022 32.500 -0.025 0.000 0.849 585 K HN 0.169 nan 8.250 nan 0.000 0.468 586 T N 2.339 116.896 114.554 0.005 0.000 2.867 586 T HA 0.296 4.646 4.350 0.000 0.000 0.282 586 T C -0.521 174.167 174.700 -0.020 0.000 1.000 586 T CA -0.759 61.351 62.100 0.016 0.000 1.042 586 T CB 1.828 70.711 68.868 0.026 0.000 0.973 586 T HN -0.061 nan 8.240 nan 0.000 0.465 587 K N 2.814 123.186 120.400 -0.047 0.000 2.211 587 K HA 0.347 4.667 4.320 0.000 0.000 0.275 587 K C 0.206 176.831 176.600 0.041 0.000 1.024 587 K CA -0.768 55.408 56.287 -0.185 0.000 0.887 587 K CB 1.583 33.710 32.500 -0.622 0.000 1.084 587 K HN 0.473 nan 8.250 nan 0.000 0.463 588 K N 1.349 121.770 120.400 0.035 0.000 2.136 588 K HA -0.000 4.320 4.320 0.000 0.000 0.237 588 K C 0.643 177.376 176.600 0.223 0.000 1.048 588 K CA -0.632 55.725 56.287 0.117 0.000 0.880 588 K CB 0.439 32.969 32.500 0.051 0.000 1.105 588 K HN 0.459 nan 8.250 nan 0.000 0.507 589 D N 0.717 121.269 120.400 0.253 0.000 2.078 589 D HA -0.112 4.528 4.640 0.000 0.000 0.193 589 D C 1.798 178.264 176.300 0.277 0.000 0.990 589 D CA 1.535 55.752 54.000 0.362 0.000 0.827 589 D CB -0.346 40.659 40.800 0.342 0.000 0.975 589 D HN 0.383 nan 8.370 nan 0.000 0.451 590 S N 0.039 115.820 115.700 0.134 0.000 2.444 590 S HA -0.255 4.215 4.470 0.000 0.000 0.244 590 S C 1.743 176.330 174.600 -0.022 0.000 1.025 590 S CA 0.914 59.123 58.200 0.016 0.000 0.995 590 S CB -0.596 62.505 63.200 -0.165 0.000 0.781 590 S HN 0.374 nan 8.310 nan 0.000 0.496 591 Y N 1.613 121.791 120.300 -0.203 0.000 2.070 591 Y HA -0.246 4.304 4.550 0.000 0.000 0.280 591 Y C 1.789 177.369 175.900 -0.534 0.000 1.148 591 Y CA 1.674 59.511 58.100 -0.438 0.000 1.125 591 Y CB -0.579 37.490 38.460 -0.651 0.000 0.975 591 Y HN 0.233 nan 8.280 nan 0.000 0.492 592 F N -0.902 118.986 119.950 -0.104 0.000 2.234 592 F HA -0.207 4.320 4.527 0.000 0.000 0.299 592 F C 2.548 178.112 175.800 -0.394 0.000 1.087 592 F CA 1.322 59.153 58.000 -0.281 0.000 1.340 592 F CB -1.207 37.420 39.000 -0.622 0.000 1.031 592 F HN 0.344 nan 8.300 nan 0.000 0.500 593 W N 0.228 121.251 121.300 -0.463 0.000 2.308 593 W HA -0.335 4.325 4.660 0.000 0.000 0.301 593 W C 1.435 177.285 176.519 -1.115 0.000 1.220 593 W CA 1.871 58.583 57.345 -1.055 0.000 1.240 593 W CB -0.685 28.193 29.460 -0.969 0.000 1.142 593 W HN 0.144 nan 8.180 nan 0.000 0.521 594 Y N 0.615 120.258 120.300 -1.095 0.000 2.365 594 Y HA -0.052 4.498 4.550 0.000 0.000 0.293 594 Y C 2.588 177.635 175.900 -1.422 0.000 1.119 594 Y CA 1.926 58.984 58.100 -1.737 0.000 1.203 594 Y CB -0.891 36.422 38.460 -1.911 0.000 1.026 594 Y HN -0.139 nan 8.280 nan 0.000 0.549 595 K N 0.538 120.436 120.400 -0.837 0.000 2.063 595 K HA -0.198 4.122 4.320 0.000 0.000 0.208 595 K C 2.236 178.573 176.600 -0.439 0.000 1.048 595 K CA 1.321 57.280 56.287 -0.546 0.000 0.928 595 K CB -0.293 31.986 32.500 -0.369 0.000 0.713 595 K HN 0.223 nan 8.250 nan 0.000 0.442 596 A N 1.611 124.141 122.820 -0.484 0.000 1.841 596 A HA -0.215 4.105 4.320 0.000 0.000 0.216 596 A C 1.912 179.181 177.584 -0.525 0.000 1.199 596 A CA 1.948 53.734 52.037 -0.418 0.000 0.621 596 A CB -0.901 17.852 19.000 -0.412 0.000 0.835 596 A HN 0.422 nan 8.150 nan 0.000 0.445 597 N N -1.383 116.777 118.700 -0.900 0.000 2.289 597 N HA -0.147 4.593 4.740 0.000 0.000 0.184 597 N C 1.211 176.444 175.510 -0.461 0.000 1.016 597 N CA 1.418 53.993 53.050 -0.793 0.000 0.872 597 N CB -0.206 37.511 38.487 -1.284 0.000 0.973 597 N HN 0.760 nan 8.380 nan 0.000 0.433 598 W N 0.200 121.085 121.300 -0.692 0.000 2.915 598 W HA 0.364 5.024 4.660 0.000 0.000 0.276 598 W C 1.102 177.442 176.519 -0.298 0.000 1.215 598 W CA -0.706 56.258 57.345 -0.635 0.000 1.514 598 W CB -0.933 28.053 29.460 -0.790 0.000 1.017 598 W HN -0.249 nan 8.180 nan 0.000 0.598 599 S N 0.773 116.423 115.700 -0.083 0.000 2.632 599 S HA 0.172 4.642 4.470 0.000 0.000 0.271 599 S C 1.187 175.761 174.600 -0.043 0.000 1.260 599 S CA -0.214 57.953 58.200 -0.056 0.000 1.010 599 S CB 1.458 64.599 63.200 -0.099 0.000 0.965 599 S HN 0.022 nan 8.310 nan 0.000 0.534 600 E N 0.942 121.126 120.200 -0.026 0.000 2.318 600 E HA 0.052 4.402 4.350 0.000 0.000 0.193 600 E C -0.042 176.542 176.600 -0.026 0.000 0.998 600 E CA 0.372 56.760 56.400 -0.020 0.000 0.859 600 E CB 0.183 29.877 29.700 -0.011 0.000 0.812 600 E HN 0.666 nan 8.360 nan 0.000 0.492 601 E N 2.468 122.650 120.200 -0.030 0.000 2.373 601 E HA 0.164 4.514 4.350 0.000 0.000 0.263 601 E C -2.281 174.277 176.600 -0.069 0.000 1.073 601 E CA -2.152 54.231 56.400 -0.028 0.000 0.894 601 E CB -0.042 29.654 29.700 -0.006 0.000 1.008 601 E HN -0.047 nan 8.360 nan 0.000 0.420 602 P HA -0.051 nan 4.420 nan 0.000 0.260 602 P C -0.522 176.653 177.300 -0.208 0.000 1.172 602 P CA 0.428 63.350 63.100 -0.296 0.000 0.760 602 P CB 0.369 31.767 31.700 -0.504 0.000 0.773 603 V N 5.512 125.319 119.914 -0.177 0.000 2.612 603 V HA 0.356 4.476 4.120 0.000 0.000 0.301 603 V C -0.277 175.817 176.094 0.001 0.000 1.059 603 V CA -0.594 61.682 62.300 -0.039 0.000 0.886 603 V CB 1.947 33.787 31.823 0.029 0.000 1.007 603 V HN 0.399 nan 8.190 nan 0.000 0.426 604 L N 5.887 127.137 121.223 0.046 0.000 2.410 604 L HA 0.830 5.170 4.340 0.000 0.000 0.270 604 L C -1.659 175.313 176.870 0.169 0.000 0.983 604 L CA -0.319 54.582 54.840 0.103 0.000 0.822 604 L CB 1.876 43.968 42.059 0.054 0.000 1.285 604 L HN 0.644 nan 8.230 nan 0.000 0.409 605 Y N 4.282 124.587 120.300 0.009 0.000 2.474 605 Y HA 0.605 5.155 4.550 0.000 0.000 0.326 605 Y C -2.027 173.801 175.900 -0.119 0.000 1.160 605 Y CA -0.784 57.268 58.100 -0.080 0.000 1.056 605 Y CB 1.543 39.971 38.460 -0.053 0.000 1.330 605 Y HN 0.607 nan 8.280 nan 0.000 0.447 606 L N 5.667 126.545 121.223 -0.576 0.000 2.296 606 L HA 0.513 4.853 4.340 0.000 0.000 0.286 606 L C 0.287 176.883 176.870 -0.458 0.000 1.023 606 L CA -0.768 53.842 54.840 -0.384 0.000 0.812 606 L CB 1.921 43.825 42.059 -0.258 0.000 1.223 606 L HN 0.804 nan 8.230 nan 0.000 0.421 607 T N -0.232 114.218 114.554 -0.173 0.000 2.860 607 T HA 0.177 4.527 4.350 0.000 0.000 0.299 607 T C 0.296 175.054 174.700 0.096 0.000 1.045 607 T CA -0.456 61.654 62.100 0.017 0.000 1.071 607 T CB 0.848 69.720 68.868 0.007 0.000 0.985 607 T HN 0.705 nan 8.240 nan 0.000 0.537 608 Q N -0.673 119.198 119.800 0.118 0.000 2.493 608 Q HA -0.224 4.116 4.340 0.000 0.000 0.278 608 Q C 1.085 177.168 176.000 0.138 0.000 1.216 608 Q CA 0.873 56.722 55.803 0.078 0.000 0.875 608 Q CB -1.568 27.147 28.738 -0.038 0.000 1.262 608 Q HN 0.984 nan 8.270 nan 0.000 0.468 609 R N -0.316 120.252 120.500 0.112 0.000 2.316 609 R HA 0.017 4.357 4.340 0.000 0.000 0.202 609 R C 1.501 177.865 176.300 0.108 0.000 1.029 609 R CA 1.074 57.247 56.100 0.122 0.000 1.018 609 R CB 0.082 30.376 30.300 -0.009 0.000 0.888 609 R HN 0.212 nan 8.270 nan 0.000 0.471 610 R N 0.344 120.892 120.500 0.079 0.000 2.365 610 R HA 0.123 4.463 4.340 0.000 0.000 0.223 610 R C 0.318 176.634 176.300 0.026 0.000 0.899 610 R CA 0.018 56.154 56.100 0.061 0.000 1.059 610 R CB 0.394 30.734 30.300 0.067 0.000 1.086 610 R HN 0.237 nan 8.270 nan 0.000 0.522 611 N N 0.910 119.592 118.700 -0.029 0.000 3.229 611 N HA 0.102 4.842 4.740 0.000 0.000 0.275 611 N C 0.189 175.561 175.510 -0.229 0.000 1.225 611 N CA -0.064 52.921 53.050 -0.108 0.000 1.119 611 N CB 1.021 39.415 38.487 -0.156 0.000 1.392 611 N HN 0.131 nan 8.380 nan 0.000 0.520 612 A N 1.238 124.014 122.820 -0.073 0.000 1.984 612 A HA -0.038 4.282 4.320 0.000 0.000 0.214 612 A C 1.012 178.602 177.584 0.010 0.000 1.173 612 A CA 0.425 52.462 52.037 0.000 0.000 0.673 612 A CB -0.056 19.012 19.000 0.113 0.000 0.830 612 A HN 0.522 nan 8.150 nan 0.000 0.453 613 D N 1.570 121.974 120.400 0.006 0.000 2.541 613 D HA 0.048 4.688 4.640 0.000 0.000 0.231 613 D C 0.090 176.402 176.300 0.020 0.000 1.163 613 D CA -0.079 53.938 54.000 0.028 0.000 1.077 613 D CB -0.328 40.491 40.800 0.032 0.000 1.110 613 D HN -0.020 nan 8.370 nan 0.000 0.499 614 R N 1.879 122.407 120.500 0.046 0.000 2.523 614 R HA -0.053 4.287 4.340 0.000 0.000 0.281 614 R C 1.072 177.466 176.300 0.157 0.000 0.969 614 R CA 0.473 56.616 56.100 0.071 0.000 1.093 614 R CB 0.276 30.707 30.300 0.219 0.000 0.917 614 R HN 0.540 nan 8.270 nan 0.000 0.408 615 E N 1.643 121.926 120.200 0.137 0.000 2.364 615 E HA 0.044 4.394 4.350 0.000 0.000 0.196 615 E C -0.005 176.778 176.600 0.305 0.000 0.990 615 E CA 0.582 57.115 56.400 0.222 0.000 0.886 615 E CB 0.542 30.404 29.700 0.269 0.000 0.866 615 E HN 0.302 nan 8.360 nan 0.000 0.493 616 K N 0.278 120.809 120.400 0.218 0.000 2.469 616 K HA 0.241 4.561 4.320 0.000 0.000 0.254 616 K C 0.264 176.732 176.600 -0.220 0.000 0.939 616 K CA -0.545 55.798 56.287 0.092 0.000 0.812 616 K CB 2.194 34.686 32.500 -0.013 0.000 1.301 616 K HN -0.186 nan 8.250 nan 0.000 0.433 617 R N 0.840 120.962 120.500 -0.631 0.000 2.062 617 R HA -0.041 4.299 4.340 0.000 0.000 0.231 617 R C 0.328 176.414 176.300 -0.357 0.000 1.136 617 R CA 1.988 57.508 56.100 -0.967 0.000 0.948 617 R CB -0.575 29.239 30.300 -0.811 0.000 0.845 617 R HN 0.642 nan 8.270 nan 0.000 0.430 618 T N -1.130 113.304 114.554 -0.200 0.000 2.781 618 T HA 0.505 4.855 4.350 0.000 0.000 0.305 618 T C -0.132 174.539 174.700 -0.049 0.000 1.001 618 T CA -0.626 61.419 62.100 -0.092 0.000 0.950 618 T CB 1.406 70.235 68.868 -0.065 0.000 0.955 618 T HN 0.167 nan 8.240 nan 0.000 0.471 619 T N 1.370 115.927 114.554 0.006 0.000 2.831 619 T HA 0.766 5.116 4.350 0.000 0.000 0.287 619 T C -1.257 173.501 174.700 0.097 0.000 1.070 619 T CA -0.556 61.569 62.100 0.042 0.000 1.010 619 T CB 1.400 70.318 68.868 0.083 0.000 1.264 619 T HN 0.983 nan 8.240 nan 0.000 0.532 620 A N 1.260 124.149 122.820 0.114 0.000 2.342 620 A HA 0.768 5.088 4.320 0.000 0.000 0.323 620 A C -0.866 176.863 177.584 0.241 0.000 1.125 620 A CA -0.509 51.614 52.037 0.143 0.000 0.785 620 A CB 1.325 20.371 19.000 0.077 0.000 1.221 620 A HN 0.629 nan 8.150 nan 0.000 0.463 621 V N 1.994 122.070 119.914 0.271 0.000 2.427 621 V HA 0.545 4.665 4.120 0.000 0.000 0.286 621 V C 0.076 176.300 176.094 0.216 0.000 1.034 621 V CA -0.009 62.469 62.300 0.298 0.000 0.893 621 V CB 1.864 33.815 31.823 0.213 0.000 0.982 621 V HN 0.966 nan 8.190 nan 0.000 0.452 622 T N 4.997 119.635 114.554 0.141 0.000 2.792 622 T HA 0.545 4.895 4.350 0.000 0.000 0.280 622 T C -0.791 173.882 174.700 -0.044 0.000 0.990 622 T CA -0.156 61.967 62.100 0.039 0.000 0.960 622 T CB 1.496 70.392 68.868 0.047 0.000 0.939 622 T HN 0.507 nan 8.240 nan 0.000 0.439 623 V N 4.939 124.849 119.914 -0.007 0.000 2.864 623 V HA 0.699 4.819 4.120 0.000 0.000 0.314 623 V C -1.851 174.361 176.094 0.196 0.000 1.073 623 V CA -0.849 61.448 62.300 -0.005 0.000 0.956 623 V CB 1.796 33.645 31.823 0.042 0.000 1.023 623 V HN 0.935 nan 8.190 nan 0.000 0.435 624 Y N 3.964 124.456 120.300 0.321 0.000 2.326 624 Y HA 0.643 5.193 4.550 0.000 0.000 0.331 624 Y C 0.248 176.290 175.900 0.236 0.000 0.962 624 Y CA -0.554 57.745 58.100 0.330 0.000 1.167 624 Y CB 2.051 40.693 38.460 0.303 0.000 1.148 624 Y HN 0.633 nan 8.280 nan 0.000 0.463 625 S N 2.556 118.526 115.700 0.449 0.000 2.521 625 S HA 0.297 4.767 4.470 0.000 0.000 0.295 625 S C -0.310 174.422 174.600 0.220 0.000 1.098 625 S CA -0.856 57.496 58.200 0.254 0.000 0.999 625 S CB 0.606 63.886 63.200 0.133 0.000 1.034 625 S HN 0.798 nan 8.310 nan 0.000 0.483 626 N N 4.079 122.820 118.700 0.069 0.000 2.458 626 N HA 0.210 4.950 4.740 0.000 0.000 0.274 626 N C 0.024 175.535 175.510 0.001 0.000 1.242 626 N CA -0.412 52.644 53.050 0.011 0.000 0.904 626 N CB -0.372 38.076 38.487 -0.065 0.000 1.206 626 N HN 0.737 nan 8.380 nan 0.000 0.510 627 I N -4.698 115.891 120.570 0.032 0.000 2.719 627 I HA 0.606 4.776 4.170 0.000 0.000 0.319 627 I C -0.147 175.994 176.117 0.041 0.000 1.522 627 I CA -0.483 60.828 61.300 0.017 0.000 0.785 627 I CB 0.758 38.734 38.000 -0.040 0.000 2.022 627 I HN 0.137 nan 8.210 nan 0.000 0.579 628 G N 1.644 110.491 108.800 0.079 0.000 2.629 628 G HA2 -0.091 3.869 3.960 0.000 0.000 0.686 628 G HA3 -0.091 3.869 3.960 0.000 0.000 0.686 628 G C -0.295 174.564 174.900 -0.069 0.000 1.232 628 G CA -0.468 44.662 45.100 0.051 0.000 0.803 628 G HN 0.573 nan 8.290 nan 0.000 0.638 629 T N 2.170 116.651 114.554 -0.121 0.000 2.871 629 T HA 0.470 4.820 4.350 0.000 0.000 0.296 629 T C -1.570 172.911 174.700 -0.364 0.000 0.998 629 T CA 0.288 62.132 62.100 -0.428 0.000 1.162 629 T CB 1.261 70.032 68.868 -0.161 0.000 0.947 629 T HN 0.662 nan 8.240 nan 0.000 0.536 630 P HA 0.551 nan 4.420 nan 0.000 0.289 630 P C -0.923 176.265 177.300 -0.186 0.000 1.300 630 P CA -1.108 61.831 63.100 -0.268 0.000 0.828 630 P CB 1.349 32.891 31.700 -0.264 0.000 1.235 631 K N -0.309 119.978 120.400 -0.188 0.000 2.292 631 K HA 0.666 4.986 4.320 0.000 0.000 0.257 631 K C -0.566 175.747 176.600 -0.478 0.000 0.940 631 K CA -0.741 55.369 56.287 -0.295 0.000 0.811 631 K CB 1.479 33.764 32.500 -0.358 0.000 1.120 631 K HN 0.362 nan 8.250 nan 0.000 0.428 632 V N 3.362 123.000 119.914 -0.459 0.000 2.459 632 V HA 0.543 4.663 4.120 0.000 0.000 0.295 632 V C -1.408 174.294 176.094 -0.653 0.000 1.029 632 V CA -0.525 61.476 62.300 -0.498 0.000 0.874 632 V CB 0.751 32.365 31.823 -0.349 0.000 0.985 632 V HN 0.593 nan 8.190 nan 0.000 0.438 633 Y N 5.149 125.325 120.300 -0.207 0.000 2.326 633 Y HA 0.594 5.144 4.550 0.000 0.000 0.331 633 Y C -0.287 175.481 175.900 -0.220 0.000 0.962 633 Y CA -1.792 56.191 58.100 -0.195 0.000 1.167 633 Y CB 1.852 40.230 38.460 -0.137 0.000 1.148 633 Y HN 0.580 nan 8.280 nan 0.000 0.463 634 L N 5.677 126.870 121.223 -0.051 0.000 2.282 634 L HA 0.365 4.706 4.340 0.000 0.000 0.287 634 L C 0.462 177.283 176.870 -0.081 0.000 1.075 634 L CA 0.443 55.211 54.840 -0.120 0.000 0.839 634 L CB -0.902 41.067 42.059 -0.149 0.000 1.219 634 L HN 0.799 nan 8.230 nan 0.000 0.434 635 N N 3.648 122.297 118.700 -0.086 0.000 2.319 635 N HA -0.218 4.522 4.740 0.000 0.000 0.215 635 N C 0.916 176.382 175.510 -0.072 0.000 1.091 635 N CA 1.912 54.919 53.050 -0.072 0.000 2.762 635 N CB -1.184 37.267 38.487 -0.060 0.000 0.823 635 N HN 0.777 nan 8.380 nan 0.000 0.453 636 G N -0.176 108.574 108.800 -0.083 0.000 4.449 636 G HA2 0.077 4.037 3.960 0.000 0.000 0.195 636 G HA3 0.077 4.037 3.960 0.000 0.000 0.195 636 G C -0.655 174.127 174.900 -0.197 0.000 0.806 636 G CA 0.266 45.281 45.100 -0.142 0.000 0.774 636 G HN 0.370 nan 8.290 nan 0.000 0.508 637 Q N 1.304 121.040 119.800 -0.106 0.000 2.381 637 Q HA 0.535 4.875 4.340 0.000 0.000 0.263 637 Q C -0.303 175.740 176.000 0.071 0.000 1.030 637 Q CA -0.786 54.969 55.803 -0.079 0.000 0.772 637 Q CB 2.028 30.728 28.738 -0.063 0.000 1.232 637 Q HN 0.332 nan 8.270 nan 0.000 0.476 638 E N 3.274 123.622 120.200 0.246 0.000 2.953 638 E HA -0.148 4.202 4.350 0.000 0.000 0.283 638 E C -1.142 175.485 176.600 0.045 0.000 0.931 638 E CA 0.385 57.074 56.400 0.482 0.000 0.979 638 E CB 0.557 30.512 29.700 0.424 0.000 0.976 638 E HN 0.609 nan 8.360 nan 0.000 0.486 639 L N 2.926 124.034 121.223 -0.192 0.000 2.387 639 L HA 0.430 4.770 4.340 0.000 0.000 0.266 639 L C 0.326 177.057 176.870 -0.233 0.000 1.059 639 L CA -0.470 54.142 54.840 -0.381 0.000 0.801 639 L CB 1.700 43.212 42.059 -0.910 0.000 1.223 639 L HN 0.548 nan 8.230 nan 0.000 0.456 640 S N -0.825 114.798 115.700 -0.128 0.000 2.704 640 S HA 0.705 5.175 4.470 0.000 0.000 0.296 640 S C 0.422 175.134 174.600 0.187 0.000 1.138 640 S CA 0.217 58.453 58.200 0.060 0.000 0.875 640 S CB 1.631 64.846 63.200 0.025 0.000 1.151 640 S HN 0.991 nan 8.310 nan 0.000 0.500 641 G N 1.358 110.261 108.800 0.172 0.000 2.179 641 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 641 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 641 G C 0.343 175.334 174.900 0.151 0.000 0.977 641 G CA 0.168 45.359 45.100 0.152 0.000 0.641 641 G HN 1.086 nan 8.290 nan 0.000 0.533 642 I N 1.927 122.632 120.570 0.224 0.000 3.114 642 I HA 0.058 4.228 4.170 0.000 0.000 0.320 642 I C 1.156 177.197 176.117 -0.128 0.000 1.230 642 I CA 0.957 62.126 61.300 -0.220 0.000 1.440 642 I CB 0.159 38.006 38.000 -0.255 0.000 1.334 642 I HN 0.564 nan 8.210 nan 0.000 0.532 643 R N 5.485 125.877 120.500 -0.180 0.000 2.919 643 R HA 0.489 4.829 4.340 0.000 0.000 0.260 643 R C -0.973 175.246 176.300 -0.134 0.000 1.067 643 R CA -1.007 55.027 56.100 -0.110 0.000 1.003 643 R CB 0.838 31.080 30.300 -0.097 0.000 1.192 643 R HN 0.543 nan 8.270 nan 0.000 0.488 644 N N -0.975 117.653 118.700 -0.119 0.000 2.499 644 N HA 0.255 4.995 4.740 0.000 0.000 0.281 644 N C -0.138 175.220 175.510 -0.253 0.000 1.098 644 N CA -0.010 52.935 53.050 -0.175 0.000 0.979 644 N CB 1.650 40.068 38.487 -0.116 0.000 1.121 644 N HN 0.690 nan 8.380 nan 0.000 0.466 645 G N 0.234 108.820 108.800 -0.357 0.000 2.829 645 G HA2 0.056 4.017 3.960 0.000 0.000 0.173 645 G HA3 0.056 4.017 3.960 0.000 0.000 0.173 645 G C 0.134 175.007 174.900 -0.045 0.000 1.476 645 G CA -0.026 44.820 45.100 -0.425 0.000 1.072 645 G HN 0.659 nan 8.290 nan 0.000 0.577 646 Y N 0.092 120.695 120.300 0.504 0.000 2.420 646 Y HA 0.159 4.709 4.550 0.000 0.000 0.292 646 Y C 1.991 177.973 175.900 0.137 0.000 1.119 646 Y CA 0.849 59.084 58.100 0.226 0.000 1.229 646 Y CB 0.414 38.963 38.460 0.148 0.000 1.026 646 Y HN 0.480 nan 8.280 nan 0.000 0.554 647 T N -3.297 111.464 114.554 0.346 0.000 2.864 647 T HA 0.137 4.487 4.350 0.000 0.000 0.289 647 T C 0.378 175.094 174.700 0.026 0.000 1.082 647 T CA -0.343 61.844 62.100 0.145 0.000 1.009 647 T CB 1.719 70.653 68.868 0.109 0.000 1.234 647 T HN 0.133 nan 8.240 nan 0.000 0.526 648 D N 0.391 120.764 120.400 -0.045 0.000 2.309 648 D HA -0.126 4.514 4.640 0.000 0.000 0.212 648 D C 1.682 177.860 176.300 -0.203 0.000 0.968 648 D CA 1.413 55.349 54.000 -0.108 0.000 0.882 648 D CB -0.688 40.081 40.800 -0.052 0.000 0.918 648 D HN 0.537 nan 8.370 nan 0.000 0.503 649 V N -3.320 116.499 119.914 -0.159 0.000 3.647 649 V HA 0.184 4.304 4.120 0.000 0.000 0.279 649 V C 0.647 176.727 176.094 -0.023 0.000 1.314 649 V CA -0.396 61.840 62.300 -0.107 0.000 1.125 649 V CB -1.337 30.398 31.823 -0.145 0.000 0.907 649 V HN 0.248 nan 8.190 nan 0.000 0.434 650 H N 0.574 119.495 119.070 -0.249 0.000 2.556 650 H HA 0.554 5.110 4.556 0.000 0.000 0.310 650 H C -1.574 173.546 175.328 -0.347 0.000 1.057 650 H CA -0.669 55.388 56.048 0.014 0.000 1.264 650 H CB 0.826 30.722 29.762 0.223 0.000 1.404 650 H HN 0.428 nan 8.280 nan 0.000 0.462 651 Y N 3.049 123.331 120.300 -0.030 0.000 2.462 651 Y HA 0.438 4.988 4.550 0.000 0.000 0.346 651 Y C -0.588 175.068 175.900 -0.407 0.000 0.976 651 Y CA -0.901 57.031 58.100 -0.280 0.000 1.044 651 Y CB 1.960 40.272 38.460 -0.246 0.000 1.230 651 Y HN 0.244 nan 8.280 nan 0.000 0.455 652 V N 3.256 122.954 119.914 -0.361 0.000 2.841 652 V HA 0.457 4.577 4.120 0.000 0.000 0.310 652 V C -1.196 174.664 176.094 -0.391 0.000 1.090 652 V CA -1.261 60.841 62.300 -0.331 0.000 0.930 652 V CB 2.167 33.808 31.823 -0.304 0.000 1.014 652 V HN 0.608 nan 8.190 nan 0.000 0.425 653 F N 3.617 123.547 119.950 -0.033 0.000 2.449 653 F HA 0.656 5.183 4.527 0.000 0.000 0.342 653 F C -0.377 175.412 175.800 -0.019 0.000 1.127 653 F CA -0.540 57.443 58.000 -0.029 0.000 0.975 653 F CB 1.839 40.818 39.000 -0.035 0.000 1.146 653 F HN 0.588 nan 8.300 nan 0.000 0.444 654 D N 1.663 122.166 120.400 0.171 0.000 2.857 654 D HA 0.283 4.923 4.640 0.000 0.000 0.227 654 D C -1.579 174.767 176.300 0.078 0.000 1.192 654 D CA -1.043 53.014 54.000 0.095 0.000 0.857 654 D CB 1.455 42.280 40.800 0.042 0.000 1.645 654 D HN 0.272 nan 8.370 nan 0.000 0.482 655 N N 0.358 119.086 118.700 0.048 0.000 2.626 655 N HA 0.339 5.079 4.740 0.000 0.000 0.249 655 N C -0.452 175.069 175.510 0.018 0.000 1.021 655 N CA -0.653 52.418 53.050 0.035 0.000 0.886 655 N CB 1.736 40.230 38.487 0.011 0.000 1.149 655 N HN 0.213 nan 8.380 nan 0.000 0.517 656 V N 1.008 120.938 119.914 0.027 0.000 2.694 656 V HA -0.017 4.103 4.120 0.000 0.000 0.306 656 V C 0.745 176.827 176.094 -0.021 0.000 1.054 656 V CA 0.448 62.736 62.300 -0.020 0.000 1.161 656 V CB 0.660 32.459 31.823 -0.039 0.000 0.916 656 V HN 0.608 nan 8.190 nan 0.000 0.490 657 S N 5.104 120.778 115.700 -0.044 0.000 2.508 657 S HA 0.575 5.045 4.470 0.000 0.000 0.284 657 S C -0.287 174.281 174.600 -0.053 0.000 1.192 657 S CA -0.533 57.633 58.200 -0.058 0.000 1.070 657 S CB 0.645 63.812 63.200 -0.055 0.000 1.004 657 S HN 0.496 nan 8.310 nan 0.000 0.493 658 L N 3.053 124.233 121.223 -0.072 0.000 2.357 658 L HA 0.519 4.859 4.340 0.000 0.000 0.273 658 L C 0.906 177.778 176.870 0.005 0.000 1.080 658 L CA -0.663 54.167 54.840 -0.017 0.000 0.803 658 L CB 1.003 43.077 42.059 0.024 0.000 1.174 658 L HN 0.725 nan 8.230 nan 0.000 0.443 659 A N 2.189 125.039 122.820 0.049 0.000 2.261 659 A HA 0.187 4.507 4.320 0.000 0.000 0.275 659 A C -0.338 177.340 177.584 0.157 0.000 1.246 659 A CA -0.246 51.833 52.037 0.070 0.000 0.810 659 A CB 0.134 19.162 19.000 0.046 0.000 1.168 659 A HN 0.697 nan 8.150 nan 0.000 0.506 660 D N -1.872 118.610 120.400 0.136 0.000 2.387 660 D HA 0.509 5.150 4.640 0.000 0.000 0.255 660 D C 1.163 177.525 176.300 0.103 0.000 1.081 660 D CA 0.950 55.043 54.000 0.155 0.000 0.994 660 D CB 0.926 41.791 40.800 0.109 0.000 1.127 660 D HN 0.996 nan 8.370 nan 0.000 0.513 661 G N 0.901 109.746 108.800 0.075 0.000 2.634 661 G HA2 -0.304 3.656 3.960 0.000 0.000 0.309 661 G HA3 -0.304 3.656 3.960 0.000 0.000 0.309 661 G C 0.221 175.174 174.900 0.089 0.000 1.265 661 G CA 0.798 45.932 45.100 0.057 0.000 0.998 661 G HN 0.718 nan 8.290 nan 0.000 0.551 662 K N 1.275 121.717 120.400 0.071 0.000 2.154 662 K HA 0.435 4.755 4.320 0.000 0.000 0.264 662 K C -0.474 176.166 176.600 0.067 0.000 1.008 662 K CA -0.187 56.146 56.287 0.077 0.000 0.937 662 K CB 0.382 32.911 32.500 0.048 0.000 1.002 662 K HN 0.575 nan 8.250 nan 0.000 0.469 663 N N 1.694 120.433 118.700 0.065 0.000 2.312 663 N HA 0.494 5.234 4.740 0.000 0.000 0.296 663 N C -1.064 174.395 175.510 -0.085 0.000 1.193 663 N CA -0.708 52.333 53.050 -0.014 0.000 0.773 663 N CB 1.432 39.903 38.487 -0.027 0.000 1.435 663 N HN 0.639 nan 8.380 nan 0.000 0.484 664 I N -2.105 118.384 120.570 -0.135 0.000 2.828 664 I HA 0.642 4.812 4.170 0.000 0.000 0.302 664 I C -1.759 174.218 176.117 -0.234 0.000 1.101 664 I CA -0.597 60.594 61.300 -0.182 0.000 1.031 664 I CB 1.759 39.697 38.000 -0.102 0.000 1.231 664 I HN 0.302 nan 8.210 nan 0.000 0.427 665 L N 4.284 125.332 121.223 -0.292 0.000 2.385 665 L HA 0.629 4.969 4.340 0.000 0.000 0.273 665 L C -0.731 176.028 176.870 -0.185 0.000 0.990 665 L CA -0.753 53.910 54.840 -0.296 0.000 0.821 665 L CB 2.041 43.807 42.059 -0.489 0.000 1.279 665 L HN 0.739 nan 8.230 nan 0.000 0.412 666 K N 2.657 122.989 120.400 -0.113 0.000 2.507 666 K HA 0.749 5.069 4.320 0.000 0.000 0.252 666 K C -1.175 175.350 176.600 -0.125 0.000 0.943 666 K CA -0.315 55.940 56.287 -0.052 0.000 0.808 666 K CB 1.985 34.534 32.500 0.083 0.000 1.142 666 K HN 0.661 nan 8.250 nan 0.000 0.426 667 A N 2.958 125.707 122.820 -0.119 0.000 2.325 667 A HA 0.785 5.105 4.320 0.000 0.000 0.333 667 A C -1.232 176.302 177.584 -0.083 0.000 1.155 667 A CA -0.682 51.271 52.037 -0.140 0.000 0.814 667 A CB 1.707 20.650 19.000 -0.095 0.000 1.206 667 A HN 0.577 nan 8.150 nan 0.000 0.482 668 V N 2.050 121.901 119.914 -0.105 0.000 3.048 668 V HA 0.766 4.886 4.120 0.000 0.000 0.303 668 V C -1.578 174.502 176.094 -0.024 0.000 1.214 668 V CA -0.246 62.039 62.300 -0.025 0.000 0.984 668 V CB 1.989 33.818 31.823 0.010 0.000 1.054 668 V HN 1.266 nan 8.190 nan 0.000 0.430 669 V N 4.110 124.052 119.914 0.047 0.000 3.106 669 V HA 0.874 4.994 4.120 0.000 0.000 0.280 669 V C -0.094 176.084 176.094 0.140 0.000 1.525 669 V CA 0.350 62.683 62.300 0.055 0.000 0.999 669 V CB 1.804 33.638 31.823 0.019 0.000 1.186 669 V HN 1.565 nan 8.190 nan 0.000 0.448 670 S N 0.989 116.755 115.700 0.111 0.000 2.627 670 S HA 0.996 5.466 4.470 0.000 0.000 0.283 670 S C -0.508 174.167 174.600 0.126 0.000 1.127 670 S CA -0.089 58.189 58.200 0.130 0.000 0.863 670 S CB 2.446 65.669 63.200 0.039 0.000 1.121 670 S HN 1.043 nan 8.310 nan 0.000 0.479 671 T N -0.086 114.551 114.554 0.139 0.000 2.718 671 T HA 0.454 4.804 4.350 0.000 0.000 0.306 671 T C -1.314 173.439 174.700 0.088 0.000 1.485 671 T CA -0.307 61.855 62.100 0.104 0.000 0.997 671 T CB 0.520 69.456 68.868 0.114 0.000 1.504 671 T HN 0.784 nan 8.240 nan 0.000 0.497 672 K N 1.160 121.599 120.400 0.065 0.000 3.034 672 K HA -0.232 4.088 4.320 0.000 0.000 0.255 672 K C 0.775 177.392 176.600 0.030 0.000 0.903 672 K CA 0.926 57.242 56.287 0.049 0.000 0.667 672 K CB -1.943 30.594 32.500 0.062 0.000 1.335 672 K HN 1.421 nan 8.250 nan 0.000 0.479 673 G N 0.578 109.388 108.800 0.016 0.000 2.356 673 G HA2 -0.344 3.616 3.960 0.000 0.000 0.296 673 G HA3 -0.344 3.616 3.960 0.000 0.000 0.296 673 G C -0.179 174.696 174.900 -0.042 0.000 1.022 673 G CA 1.033 46.128 45.100 -0.009 0.000 0.961 673 G HN 0.441 nan 8.290 nan 0.000 0.510 674 K N -0.494 119.860 120.400 -0.076 0.000 2.443 674 K HA 0.714 5.034 4.320 0.000 0.000 0.251 674 K C 0.041 176.455 176.600 -0.311 0.000 0.972 674 K CA 0.026 56.189 56.287 -0.207 0.000 0.833 674 K CB 1.450 33.782 32.500 -0.279 0.000 1.317 674 K HN 0.392 nan 8.250 nan 0.000 0.441 675 E N 1.557 121.523 120.200 -0.391 0.000 2.191 675 E HA 0.404 4.754 4.350 0.000 0.000 0.278 675 E C -1.634 174.655 176.600 -0.519 0.000 0.972 675 E CA -0.401 55.817 56.400 -0.303 0.000 0.804 675 E CB 0.828 30.440 29.700 -0.147 0.000 1.110 675 E HN 0.406 nan 8.360 nan 0.000 0.394 676 Y N 0.304 120.611 120.300 0.011 0.000 2.446 676 Y HA 0.704 5.254 4.550 0.000 0.000 0.345 676 Y C 0.342 176.242 175.900 0.001 0.000 0.984 676 Y CA -0.802 57.305 58.100 0.011 0.000 1.058 676 Y CB 3.023 41.494 38.460 0.017 0.000 1.220 676 Y HN 0.554 nan 8.280 nan 0.000 0.455 677 T N 2.642 117.297 114.554 0.169 0.000 3.395 677 T HA 0.323 4.674 4.350 0.000 0.000 0.330 677 T C -2.270 172.459 174.700 0.048 0.000 1.076 677 T CA -0.606 61.538 62.100 0.073 0.000 1.070 677 T CB 0.790 69.684 68.868 0.044 0.000 1.119 677 T HN 0.636 nan 8.240 nan 0.000 0.462 678 D N 2.181 122.580 120.400 -0.002 0.000 2.780 678 D HA 0.617 5.257 4.640 0.000 0.000 0.242 678 D C -0.713 175.536 176.300 -0.084 0.000 1.135 678 D CA 0.017 53.987 54.000 -0.050 0.000 0.859 678 D CB 1.622 42.369 40.800 -0.089 0.000 1.530 678 D HN 0.684 nan 8.370 nan 0.000 0.493 679 E N 2.294 122.439 120.200 -0.091 0.000 2.224 679 E HA 0.661 5.011 4.350 0.000 0.000 0.265 679 E C -0.525 176.003 176.600 -0.119 0.000 0.878 679 E CA -0.719 55.622 56.400 -0.099 0.000 0.759 679 E CB 0.787 30.451 29.700 -0.060 0.000 1.164 679 E HN 0.623 nan 8.360 nan 0.000 0.414 680 I N -2.629 117.846 120.570 -0.157 0.000 3.294 680 I HA 0.856 5.026 4.170 0.000 0.000 0.311 680 I C -0.232 175.791 176.117 -0.157 0.000 1.111 680 I CA -1.072 60.151 61.300 -0.127 0.000 0.976 680 I CB 2.681 40.626 38.000 -0.092 0.000 1.260 680 I HN 0.487 nan 8.210 nan 0.000 0.474 681 E N 1.614 121.786 120.200 -0.046 0.000 2.302 681 E HA 0.318 4.668 4.350 0.000 0.000 0.263 681 E C -1.893 174.843 176.600 0.226 0.000 0.897 681 E CA -0.642 55.752 56.400 -0.010 0.000 0.809 681 E CB 1.198 30.915 29.700 0.027 0.000 1.270 681 E HN 0.556 nan 8.360 nan 0.000 0.410 682 W N 1.899 123.204 121.300 0.008 0.000 3.154 682 W HA 0.496 5.156 4.660 0.000 0.000 0.454 682 W C 0.159 176.702 176.519 0.040 0.000 1.488 682 W CA -0.714 56.647 57.345 0.028 0.000 1.275 682 W CB -0.016 29.466 29.460 0.036 0.000 2.277 682 W HN 0.519 nan 8.180 nan 0.000 0.683 683 N N 0.051 118.970 118.700 0.365 0.000 3.392 683 N HA 0.010 4.750 4.740 0.000 0.000 0.223 683 N C -1.858 173.800 175.510 0.247 0.000 1.137 683 N CA -0.438 52.757 53.050 0.241 0.000 0.991 683 N CB 0.242 38.817 38.487 0.146 0.000 1.602 683 N HN 0.262 nan 8.380 nan 0.000 0.702 684 Y N 2.167 122.541 120.300 0.123 0.000 2.326 684 Y HA 0.476 5.026 4.550 0.000 0.000 0.333 684 Y C 1.124 177.063 175.900 0.064 0.000 1.240 684 Y CA 0.786 58.939 58.100 0.090 0.000 1.365 684 Y CB 1.013 39.525 38.460 0.087 0.000 1.289 684 Y HN 0.802 nan 8.280 nan 0.000 0.548 685 S N 1.592 116.907 115.700 -0.641 0.000 2.790 685 S HA 0.399 4.869 4.470 0.000 0.000 0.213 685 S C -0.455 173.849 174.600 -0.493 0.000 0.790 685 S CA 0.268 58.237 58.200 -0.384 0.000 1.339 685 S CB -1.054 62.055 63.200 -0.153 0.000 1.297 685 S HN 1.786 nan 8.310 nan 0.000 0.565 686 G N 0.973 109.185 108.800 -0.979 0.000 2.335 686 G HA2 0.179 4.139 3.960 0.000 0.000 0.592 686 G HA3 0.179 4.139 3.960 0.000 0.000 0.592 686 G C -1.656 172.999 174.900 -0.409 0.000 1.442 686 G CA -0.862 43.915 45.100 -0.539 0.000 0.976 686 G HN 0.162 nan 8.290 nan 0.000 0.652 687 E N 1.443 121.630 120.200 -0.022 0.000 2.070 687 E HA 0.236 4.586 4.350 0.000 0.000 0.282 687 E C 0.426 177.081 176.600 0.092 0.000 1.104 687 E CA -0.100 56.409 56.400 0.182 0.000 0.876 687 E CB 1.013 30.838 29.700 0.209 0.000 1.055 687 E HN 0.364 nan 8.360 nan 0.000 0.401 688 K N 1.872 122.342 120.400 0.117 0.000 2.267 688 K HA 0.387 4.707 4.320 0.000 0.000 0.236 688 K C 0.364 176.993 176.600 0.048 0.000 1.030 688 K CA -0.924 55.396 56.287 0.055 0.000 0.930 688 K CB 0.680 33.208 32.500 0.048 0.000 1.182 688 K HN 0.230 nan 8.250 nan 0.000 0.474 689 N N 0.587 119.246 118.700 -0.068 0.000 3.091 689 N HA 0.092 4.832 4.740 0.000 0.000 0.185 689 N C -0.064 175.312 175.510 -0.224 0.000 1.398 689 N CA 0.022 52.917 53.050 -0.258 0.000 0.938 689 N CB 0.120 38.176 38.487 -0.719 0.000 1.605 689 N HN 0.365 nan 8.380 nan 0.000 0.597 690 R N 0.207 120.647 120.500 -0.100 0.000 2.153 690 R HA -0.159 4.181 4.340 0.000 0.000 0.252 690 R C 1.651 177.746 176.300 -0.343 0.000 1.158 690 R CA 1.744 57.735 56.100 -0.181 0.000 0.975 690 R CB -0.002 30.250 30.300 -0.080 0.000 0.871 690 R HN 0.526 nan 8.270 nan 0.000 0.450 691 E N 0.825 120.897 120.200 -0.214 0.000 2.085 691 E HA -0.211 4.139 4.350 0.000 0.000 0.194 691 E C 1.743 178.198 176.600 -0.241 0.000 0.994 691 E CA 1.496 57.784 56.400 -0.188 0.000 0.801 691 E CB -0.025 29.708 29.700 0.056 0.000 0.743 691 E HN 0.410 nan 8.360 nan 0.000 0.453 692 I N 1.369 121.783 120.570 -0.261 0.000 2.439 692 I HA -0.128 4.042 4.170 0.000 0.000 0.251 692 I C 1.740 177.734 176.117 -0.206 0.000 1.139 692 I CA 0.693 61.863 61.300 -0.217 0.000 1.438 692 I CB -1.320 36.543 38.000 -0.227 0.000 1.085 692 I HN 0.069 nan 8.210 nan 0.000 0.427 693 D N 0.000 120.260 120.400 -0.233 0.000 6.856 693 D HA 0.000 4.640 4.640 0.000 0.000 0.175 693 D CA 0.000 53.878 54.000 -0.204 0.000 0.868 693 D CB 0.000 40.677 40.800 -0.205 0.000 0.688 693 D HN 0.000 nan 8.370 nan 0.000 0.683