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 1ogy_1_M DATA FIRST_RESID 12 DATA SEQUENCE IRWSKAPCRF CGTGCGVMVG TRDGQVVATH GDTQAEVNRG LNCVKGYFLS DATA SEQUENCE KIMYGEDRLT TPLLRMKDGV YHKEGEFAPV SWDEAFDVMA AQAKLVLKEK DATA SEQUENCE APEAVGMFGS GQWTIWEGYA ASKLMRAGFR SNNLDPNARH CMASAATAFM DATA SEQUENCE RTFGMDEPMG CYDDFEAADA FVLWGSNMAE MHPILWSRLT DRRLSHEHVR DATA SEQUENCE VAVLSTFTHR SSDLSDTPII FRPGTDRAIL NYIAHHIIST GRVNRDFVDR DATA SEQUENCE HTNFALGATD IGYGLRPEHQ LQLAAKGAAD AGAMTPTDFE TFAALVSEYT DATA SEQUENCE LEKAAEISGV EPALLEELAE LYADPDRKWM SLWTMGFNQH VRGVWANHMV DATA SEQUENCE YNLHLLTGKI SEPGNSPFSL TGQPFACGTA REVGTFAHRL PADMVVTNPE DATA SEQUENCE HRAHAEEIWK LPAGLLPDWV GAHAVEQDRK LHDGEINFYW VQVNNNMQAA DATA SEQUENCE PNIDQETYPG YRNPENFIVV SDAYPTVTGR AADLVLPAAM WVEKEGAYGN DATA SEQUENCE AERRTHFWHQ LVEAPGEARS DLWQLMEFSK RFTTDEVWPE EILSAAPAYR DATA SEQUENCE GKTLFEVLFA NGSVDRFPAS DVNPDHANHE AALFGFYPQK GLFEEYAAFG DATA SEQUENCE RGHGHDLAPF DTYHEVRGLH WPVVEGEETR WRYREGFDPY VKPGEGLRFY DATA SEQUENCE GKPDGRAVIL GVPYEPPAES PDEEFGFWLV TGRVLEHWHS GSMTLRWPEL DATA SEQUENCE YKAFPGAVCF MHPEDARSRG LNRGSEVRVI SRRGEIRTRL ETRGRNRMPR DATA SEQUENCE GVVFVPWFDA SQLINKVTLD ANDPISRQTD FKKCAVKIEA 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 175.922 176.117 -0.325 0.000 1.063 12 I CA 0.000 61.160 61.300 -0.233 0.000 1.566 12 I CB 0.000 37.914 38.000 -0.143 0.000 1.214 13 R N 1.357 121.590 120.500 -0.445 0.000 2.310 13 R HA 0.359 4.699 4.340 0.001 0.000 0.324 13 R C -1.817 174.214 176.300 -0.447 0.000 0.955 13 R CA -0.423 55.480 56.100 -0.329 0.000 0.830 13 R CB 1.062 31.249 30.300 -0.187 0.000 1.154 13 R HN 0.029 nan 8.270 nan 0.000 0.458 14 W N 1.868 123.154 121.300 -0.024 0.000 2.335 14 W HA 0.364 5.025 4.660 0.001 0.000 0.307 14 W C 0.133 176.662 176.519 0.016 0.000 1.117 14 W CA -0.293 57.040 57.345 -0.019 0.000 1.228 14 W CB 1.578 31.024 29.460 -0.024 0.000 1.240 14 W HN 0.312 nan 8.180 nan 0.000 0.468 15 S N 2.285 118.116 115.700 0.219 0.000 2.536 15 S HA 0.388 4.858 4.470 0.001 0.000 0.298 15 S C -0.476 174.214 174.600 0.149 0.000 1.083 15 S CA -1.053 57.255 58.200 0.179 0.000 0.995 15 S CB 1.512 64.802 63.200 0.149 0.000 1.058 15 S HN 0.423 nan 8.310 nan 0.000 0.488 16 K N 1.406 121.887 120.400 0.135 0.000 2.270 16 K HA 0.631 4.952 4.320 0.001 0.000 0.276 16 K C -0.736 175.901 176.600 0.060 0.000 1.023 16 K CA -0.208 56.139 56.287 0.100 0.000 0.955 16 K CB 0.435 33.000 32.500 0.109 0.000 0.975 16 K HN 0.687 nan 8.250 nan 0.000 0.471 17 A N 4.630 127.459 122.820 0.015 0.000 2.590 17 A HA 0.423 4.744 4.320 0.001 0.000 0.296 17 A C -2.963 174.574 177.584 -0.078 0.000 1.050 17 A CA -1.253 50.745 52.037 -0.065 0.000 0.697 17 A CB 1.586 20.409 19.000 -0.296 0.000 1.277 17 A HN 0.609 nan 8.150 nan 0.000 0.411 18 P HA 0.374 nan 4.420 nan 0.000 0.288 18 P C 0.352 177.601 177.300 -0.085 0.000 1.267 18 P CA -0.271 62.694 63.100 -0.226 0.000 0.815 18 P CB 1.197 32.608 31.700 -0.483 0.000 0.989 19 C N 4.443 123.669 119.300 -0.123 0.000 2.502 19 C HA -0.003 4.457 4.460 0.001 0.000 0.404 19 C C 2.166 176.922 174.990 -0.390 0.000 1.409 19 C CA 0.133 59.000 59.018 -0.252 0.000 1.648 19 C CB -1.083 26.531 27.740 -0.210 0.000 2.571 19 C HN 0.694 nan 8.230 nan 0.000 0.601 20 R N 3.004 122.965 120.500 -0.898 0.000 2.319 20 R HA 0.272 4.612 4.340 0.001 0.000 0.204 20 R C 0.131 175.749 176.300 -1.136 0.000 0.954 20 R CA 0.962 56.447 56.100 -1.025 0.000 1.066 20 R CB -0.408 28.853 30.300 -1.731 0.000 0.991 20 R HN 0.824 nan 8.270 nan 0.000 0.486 21 F N -2.105 117.357 119.950 -0.814 0.000 2.929 21 F HA 0.249 4.776 4.527 0.001 0.000 0.150 21 F C 1.013 176.320 175.800 -0.821 0.000 1.482 21 F CA -0.921 56.289 58.000 -1.316 0.000 0.962 21 F CB -0.781 37.594 39.000 -1.041 0.000 2.000 21 F HN -0.266 nan 8.300 nan 0.000 0.408 22 C N 1.878 121.091 119.300 -0.145 0.000 2.410 22 C HA -0.079 4.381 4.460 0.001 0.000 0.386 22 C C 1.975 177.005 174.990 0.067 0.000 1.401 22 C CA 0.834 59.892 59.018 0.067 0.000 1.558 22 C CB -0.554 27.154 27.740 -0.053 0.000 2.589 22 C HN 0.866 nan 8.230 nan 0.000 0.562 23 G N 2.595 111.472 108.800 0.129 0.000 2.985 23 G HA2 0.041 4.001 3.960 0.001 0.000 0.209 23 G HA3 0.041 4.001 3.960 0.001 0.000 0.209 23 G C 1.223 176.317 174.900 0.322 0.000 1.165 23 G CA 0.939 46.181 45.100 0.237 0.000 0.776 23 G HN 0.847 nan 8.290 nan 0.000 0.541 24 T N 0.605 115.307 114.554 0.246 0.000 2.674 24 T HA 0.188 4.538 4.350 0.001 0.000 0.265 24 T C 1.865 176.769 174.700 0.340 0.000 1.039 24 T CA 1.861 64.132 62.100 0.285 0.000 1.150 24 T CB -0.343 68.574 68.868 0.082 0.000 0.864 24 T HN 1.066 nan 8.240 nan 0.000 0.427 25 G N 0.489 109.422 108.800 0.222 0.000 2.207 25 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 25 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 25 G C 0.194 175.205 174.900 0.185 0.000 1.053 25 G CA -0.357 44.915 45.100 0.287 0.000 0.764 25 G HN 0.664 nan 8.290 nan 0.000 0.495 26 C N 0.068 119.399 119.300 0.050 0.000 2.727 26 C HA 0.612 5.072 4.460 0.001 0.000 0.401 26 C C 1.584 176.540 174.990 -0.056 0.000 1.294 26 C CA 0.392 59.404 59.018 -0.009 0.000 2.134 26 C CB 0.567 28.262 27.740 -0.076 0.000 2.724 26 C HN 1.073 nan 8.230 nan 0.000 0.677 27 G N 0.663 109.435 108.800 -0.046 0.000 2.348 27 G HA2 0.561 4.521 3.960 0.001 0.000 0.312 27 G HA3 0.561 4.521 3.960 0.001 0.000 0.312 27 G C -0.897 173.983 174.900 -0.033 0.000 1.126 27 G CA -0.124 44.943 45.100 -0.056 0.000 0.865 27 G HN 0.661 nan 8.290 nan 0.000 0.474 28 V N 3.338 123.249 119.914 -0.005 0.000 2.864 28 V HA 0.545 4.665 4.120 0.001 0.000 0.314 28 V C -0.168 175.981 176.094 0.092 0.000 1.073 28 V CA -0.882 61.448 62.300 0.049 0.000 0.956 28 V CB 2.217 34.095 31.823 0.092 0.000 1.023 28 V HN 0.675 nan 8.190 nan 0.000 0.435 29 M N 3.337 123.028 119.600 0.152 0.000 2.043 29 M HA 0.391 4.872 4.480 0.001 0.000 0.322 29 M C -0.975 175.541 176.300 0.360 0.000 0.962 29 M CA -0.464 54.966 55.300 0.217 0.000 0.927 29 M CB 1.479 34.174 32.600 0.159 0.000 1.466 29 M HN 0.350 nan 8.290 nan 0.000 0.412 30 V N 2.863 122.917 119.914 0.235 0.000 2.508 30 V HA 0.371 4.491 4.120 0.001 0.000 0.281 30 V C 0.972 177.068 176.094 0.003 0.000 1.041 30 V CA -0.456 61.920 62.300 0.127 0.000 1.016 30 V CB 0.856 32.637 31.823 -0.069 0.000 0.984 30 V HN 0.944 nan 8.190 nan 0.000 0.478 31 G N 2.975 111.623 108.800 -0.253 0.000 2.322 31 G HA2 0.522 4.482 3.960 0.001 0.000 0.309 31 G HA3 0.522 4.482 3.960 0.001 0.000 0.309 31 G C -0.327 174.257 174.900 -0.526 0.000 1.121 31 G CA -0.175 44.337 45.100 -0.980 0.000 0.886 31 G HN 0.609 nan 8.290 nan 0.000 0.447 32 T N 1.765 116.020 114.554 -0.499 0.000 2.841 32 T HA 0.657 5.008 4.350 0.001 0.000 0.283 32 T C -0.348 174.196 174.700 -0.259 0.000 1.000 32 T CA -0.550 61.382 62.100 -0.281 0.000 0.977 32 T CB 1.387 70.141 68.868 -0.190 0.000 0.979 32 T HN 0.586 nan 8.240 nan 0.000 0.446 33 R N 2.599 122.991 120.500 -0.180 0.000 2.548 33 R HA 0.305 4.645 4.340 0.001 0.000 0.280 33 R C -1.220 175.017 176.300 -0.106 0.000 1.061 33 R CA -0.379 55.632 56.100 -0.148 0.000 0.915 33 R CB 0.974 31.185 30.300 -0.148 0.000 1.210 33 R HN 0.783 nan 8.270 nan 0.000 0.442 34 D N 2.806 123.151 120.400 -0.091 0.000 2.686 34 D HA -0.181 4.459 4.640 0.001 0.000 0.235 34 D C 0.744 177.008 176.300 -0.061 0.000 1.160 34 D CA 2.178 56.135 54.000 -0.071 0.000 0.645 34 D CB -0.585 40.175 40.800 -0.066 0.000 1.039 34 D HN 1.017 nan 8.370 nan 0.000 0.423 35 G N -0.567 108.198 108.800 -0.059 0.000 2.168 35 G HA2 -0.340 3.621 3.960 0.001 0.000 0.257 35 G HA3 -0.340 3.621 3.960 0.001 0.000 0.257 35 G C 0.064 174.961 174.900 -0.004 0.000 0.997 35 G CA 0.590 45.669 45.100 -0.036 0.000 0.708 35 G HN 0.481 nan 8.290 nan 0.000 0.520 36 Q N -0.846 118.940 119.800 -0.023 0.000 2.375 36 Q HA 0.548 4.888 4.340 0.001 0.000 0.271 36 Q C -0.320 175.686 176.000 0.009 0.000 1.074 36 Q CA -0.805 55.002 55.803 0.006 0.000 0.808 36 Q CB 2.780 31.460 28.738 -0.096 0.000 1.327 36 Q HN 0.161 nan 8.270 nan 0.000 0.441 37 V N 2.653 122.652 119.914 0.141 0.000 2.408 37 V HA 0.090 4.211 4.120 0.001 0.000 0.267 37 V C 1.027 177.157 176.094 0.059 0.000 1.047 37 V CA 0.013 62.377 62.300 0.107 0.000 0.937 37 V CB 0.925 32.901 31.823 0.255 0.000 0.999 37 V HN 0.713 nan 8.190 nan 0.000 0.472 38 V N 1.887 121.772 119.914 -0.049 0.000 3.477 38 V HA 0.835 4.955 4.120 0.001 0.000 0.297 38 V C 0.419 176.506 176.094 -0.013 0.000 1.433 38 V CA 0.492 62.762 62.300 -0.050 0.000 1.052 38 V CB 0.105 31.866 31.823 -0.104 0.000 0.895 38 V HN 0.902 nan 8.190 nan 0.000 0.438 39 A N -0.741 122.072 122.820 -0.012 0.000 2.605 39 A HA 0.768 5.088 4.320 0.001 0.000 0.294 39 A C -0.556 177.134 177.584 0.177 0.000 1.062 39 A CA -0.153 51.934 52.037 0.083 0.000 0.682 39 A CB 1.584 20.593 19.000 0.014 0.000 1.278 39 A HN 0.149 nan 8.150 nan 0.000 0.410 40 T N 2.100 116.851 114.554 0.329 0.000 3.078 40 T HA 0.484 4.835 4.350 0.001 0.000 0.328 40 T C -0.786 174.235 174.700 0.534 0.000 0.987 40 T CA -0.144 62.173 62.100 0.363 0.000 1.049 40 T CB 0.084 69.116 68.868 0.273 0.000 1.011 40 T HN 0.662 nan 8.240 nan 0.000 0.463 41 H N 0.492 119.725 119.070 0.272 0.000 2.693 41 H HA 0.660 5.217 4.556 0.001 0.000 0.348 41 H C 0.743 176.118 175.328 0.078 0.000 1.222 41 H CA -1.398 54.747 56.048 0.160 0.000 1.270 41 H CB 1.438 31.187 29.762 -0.023 0.000 1.798 41 H HN 0.692 nan 8.280 nan 0.000 0.592 42 G N 0.324 109.230 108.800 0.178 0.000 2.390 42 G HA2 -0.005 3.955 3.960 0.001 0.000 0.270 42 G HA3 -0.005 3.955 3.960 0.001 0.000 0.270 42 G C -0.446 174.468 174.900 0.024 0.000 1.211 42 G CA -0.335 44.789 45.100 0.040 0.000 0.842 42 G HN 0.554 nan 8.290 nan 0.000 0.519 43 D N 1.790 122.194 120.400 0.006 0.000 2.359 43 D HA 0.081 4.721 4.640 0.001 0.000 0.250 43 D C 1.950 178.245 176.300 -0.008 0.000 1.264 43 D CA -0.088 53.913 54.000 0.003 0.000 0.911 43 D CB 0.705 41.512 40.800 0.011 0.000 1.056 43 D HN 0.342 nan 8.370 nan 0.000 0.499 44 T N 0.876 115.420 114.554 -0.018 0.000 3.051 44 T HA -0.122 4.228 4.350 0.001 0.000 0.269 44 T C 1.207 175.903 174.700 -0.007 0.000 1.127 44 T CA 0.691 62.780 62.100 -0.018 0.000 1.107 44 T CB 0.134 68.984 68.868 -0.029 0.000 0.898 44 T HN 0.240 nan 8.240 nan 0.000 0.517 45 Q N 0.611 120.410 119.800 -0.001 0.000 2.319 45 Q HA 0.462 4.803 4.340 0.001 0.000 0.202 45 Q C 0.691 176.701 176.000 0.016 0.000 0.896 45 Q CA 0.056 55.864 55.803 0.009 0.000 0.942 45 Q CB 0.470 29.216 28.738 0.013 0.000 1.083 45 Q HN 0.724 nan 8.270 nan 0.000 0.510 46 A N 0.982 123.811 122.820 0.016 0.000 2.320 46 A HA 0.175 4.495 4.320 0.001 0.000 0.287 46 A C 1.074 178.676 177.584 0.029 0.000 1.181 46 A CA -0.307 51.746 52.037 0.025 0.000 0.831 46 A CB 0.669 19.683 19.000 0.022 0.000 1.102 46 A HN -0.035 nan 8.150 nan 0.000 0.513 47 E N 1.804 122.024 120.200 0.033 0.000 2.110 47 E HA -0.129 4.221 4.350 0.001 0.000 0.193 47 E C 2.013 178.660 176.600 0.078 0.000 0.988 47 E CA 1.247 57.674 56.400 0.045 0.000 0.804 47 E CB -0.105 29.612 29.700 0.028 0.000 0.745 47 E HN 0.594 nan 8.360 nan 0.000 0.458 48 V N 3.126 123.104 119.914 0.107 0.000 2.215 48 V HA -0.335 3.786 4.120 0.001 0.000 0.246 48 V C 2.177 178.301 176.094 0.050 0.000 1.047 48 V CA 2.382 64.782 62.300 0.167 0.000 0.999 48 V CB -0.747 31.204 31.823 0.214 0.000 0.635 48 V HN 0.387 nan 8.190 nan 0.000 0.450 49 N N -0.280 118.426 118.700 0.010 0.000 2.368 49 N HA -0.102 4.638 4.740 0.001 0.000 0.178 49 N C 0.564 176.052 175.510 -0.036 0.000 1.021 49 N CA 0.327 53.352 53.050 -0.043 0.000 0.875 49 N CB -0.151 38.298 38.487 -0.063 0.000 1.020 49 N HN 0.445 nan 8.380 nan 0.000 0.433 50 R N 0.608 121.098 120.500 -0.016 0.000 3.076 50 R HA -0.109 4.232 4.340 0.001 0.000 0.261 50 R C 0.681 176.967 176.300 -0.023 0.000 0.930 50 R CA 0.604 56.695 56.100 -0.014 0.000 0.649 50 R CB -2.255 28.038 30.300 -0.011 0.000 1.350 50 R HN 0.728 nan 8.270 nan 0.000 0.453 51 G N -0.962 107.825 108.800 -0.022 0.000 2.184 51 G HA2 -0.326 3.635 3.960 0.001 0.000 0.264 51 G HA3 -0.326 3.635 3.960 0.001 0.000 0.264 51 G C -0.145 174.752 174.900 -0.004 0.000 0.975 51 G CA 0.361 45.451 45.100 -0.016 0.000 0.642 51 G HN 0.243 nan 8.290 nan 0.000 0.536 52 L N 0.691 121.893 121.223 -0.035 0.000 2.346 52 L HA 0.635 4.976 4.340 0.001 0.000 0.276 52 L C 0.190 176.960 176.870 -0.166 0.000 1.006 52 L CA -0.757 54.061 54.840 -0.037 0.000 0.817 52 L CB 1.728 43.764 42.059 -0.038 0.000 1.272 52 L HN 0.350 nan 8.230 nan 0.000 0.421 53 N N 0.555 119.035 118.700 -0.367 0.000 2.966 53 N HA 0.750 5.491 4.740 0.001 0.000 0.314 53 N C -1.037 174.219 175.510 -0.425 0.000 1.397 53 N CA -0.878 51.817 53.050 -0.592 0.000 0.776 53 N CB 1.872 39.688 38.487 -1.120 0.000 1.576 53 N HN 0.685 nan 8.380 nan 0.000 0.592 54 C N -1.510 117.596 119.300 -0.323 0.000 2.711 54 C HA 0.518 4.978 4.460 0.001 0.000 0.410 54 C C 2.036 177.027 174.990 0.002 0.000 1.553 54 C CA -0.631 58.330 59.018 -0.096 0.000 1.759 54 C CB -0.232 27.456 27.740 -0.087 0.000 2.077 54 C HN 0.576 nan 8.230 nan 0.000 0.483 55 V N 1.429 121.393 119.914 0.082 0.000 2.233 55 V HA -0.210 3.910 4.120 0.001 0.000 0.247 55 V C 2.661 178.875 176.094 0.201 0.000 1.050 55 V CA 2.454 64.869 62.300 0.192 0.000 1.010 55 V CB -1.382 30.534 31.823 0.154 0.000 0.637 55 V HN 0.926 nan 8.190 nan 0.000 0.444 56 K N 0.902 121.331 120.400 0.047 0.000 2.160 56 K HA -0.147 4.174 4.320 0.001 0.000 0.206 56 K C 2.282 178.963 176.600 0.135 0.000 1.047 56 K CA 1.590 57.899 56.287 0.036 0.000 0.930 56 K CB -0.728 31.587 32.500 -0.308 0.000 0.720 56 K HN 0.602 nan 8.250 nan 0.000 0.450 57 G N 0.516 109.298 108.800 -0.030 0.000 2.414 57 G HA2 -0.235 3.725 3.960 0.001 0.000 0.215 57 G HA3 -0.235 3.725 3.960 0.001 0.000 0.215 57 G C 1.241 176.042 174.900 -0.164 0.000 1.188 57 G CA 0.615 45.618 45.100 -0.161 0.000 0.783 57 G HN 0.284 nan 8.290 nan 0.000 0.537 58 Y N -0.546 119.693 120.300 -0.102 0.000 2.333 58 Y HA 0.053 4.604 4.550 0.000 0.000 0.290 58 Y C 1.683 177.413 175.900 -0.283 0.000 1.144 58 Y CA 0.445 58.410 58.100 -0.226 0.000 1.228 58 Y CB -0.117 38.099 38.460 -0.406 0.000 0.985 58 Y HN 0.169 nan 8.280 nan 0.000 0.542 59 F N -0.772 119.278 119.950 0.168 0.000 2.660 59 F HA 0.125 4.652 4.527 0.000 0.000 0.297 59 F C 1.313 177.157 175.800 0.073 0.000 1.132 59 F CA -0.146 57.928 58.000 0.123 0.000 1.372 59 F CB -0.142 38.912 39.000 0.091 0.000 1.003 59 F HN 0.019 nan 8.300 nan 0.000 0.524 60 L N -0.307 120.988 121.223 0.119 0.000 2.201 60 L HA -0.213 4.127 4.340 0.001 0.000 0.212 60 L C 2.630 179.552 176.870 0.086 0.000 1.105 60 L CA 1.322 56.100 54.840 -0.103 0.000 0.775 60 L CB -0.516 41.333 42.059 -0.351 0.000 0.913 60 L HN 0.310 nan 8.230 nan 0.000 0.440 61 S N -0.258 115.578 115.700 0.228 0.000 2.419 61 S HA -0.214 4.256 4.470 0.001 0.000 0.235 61 S C 1.629 176.444 174.600 0.358 0.000 1.019 61 S CA 1.032 59.415 58.200 0.305 0.000 0.982 61 S CB -0.290 63.073 63.200 0.272 0.000 0.789 61 S HN 0.464 nan 8.310 nan 0.000 0.490 62 K N 0.150 120.738 120.400 0.315 0.000 2.372 62 K HA 0.407 4.727 4.320 0.001 0.000 0.200 62 K C 1.226 177.964 176.600 0.230 0.000 1.022 62 K CA -0.078 56.399 56.287 0.317 0.000 1.125 62 K CB 0.017 32.667 32.500 0.251 0.000 0.855 62 K HN 0.396 nan 8.250 nan 0.000 0.524 63 I N 1.156 121.806 120.570 0.132 0.000 2.406 63 I HA -0.153 4.017 4.170 0.001 0.000 0.249 63 I C 1.891 178.063 176.117 0.092 0.000 1.122 63 I CA 1.189 62.532 61.300 0.071 0.000 1.431 63 I CB 0.109 38.055 38.000 -0.090 0.000 1.087 63 I HN 0.183 nan 8.210 nan 0.000 0.424 64 M N -1.153 118.367 119.600 -0.132 0.000 2.494 64 M HA 0.034 4.514 4.480 0.001 0.000 0.232 64 M C 0.539 176.648 176.300 -0.318 0.000 1.137 64 M CA 0.798 55.922 55.300 -0.292 0.000 1.012 64 M CB -0.136 32.143 32.600 -0.536 0.000 1.567 64 M HN 0.179 nan 8.290 nan 0.000 0.486 65 Y N 0.617 121.039 120.300 0.204 0.000 2.584 65 Y HA 0.383 4.933 4.550 0.000 0.000 0.254 65 Y C 1.611 177.609 175.900 0.162 0.000 1.177 65 Y CA -0.968 57.225 58.100 0.155 0.000 1.216 65 Y CB 0.134 38.655 38.460 0.102 0.000 1.172 65 Y HN 0.186 nan 8.280 nan 0.000 0.529 66 G N 1.270 110.275 108.800 0.343 0.000 2.554 66 G HA2 -0.038 3.922 3.960 0.001 0.000 0.238 66 G HA3 -0.038 3.922 3.960 0.001 0.000 0.238 66 G C 0.785 175.823 174.900 0.230 0.000 1.259 66 G CA -0.274 44.937 45.100 0.184 0.000 0.843 66 G HN 0.645 nan 8.290 nan 0.000 0.582 67 E N 0.248 120.522 120.200 0.124 0.000 2.516 67 E HA -0.058 4.292 4.350 0.001 0.000 0.199 67 E C 0.372 177.042 176.600 0.116 0.000 1.069 67 E CA 0.654 57.119 56.400 0.110 0.000 0.876 67 E CB 0.198 29.933 29.700 0.058 0.000 0.843 67 E HN 0.381 nan 8.360 nan 0.000 0.530 68 D N 1.071 121.569 120.400 0.164 0.000 2.249 68 D HA -0.022 4.618 4.640 0.001 0.000 0.205 68 D C 0.270 176.682 176.300 0.186 0.000 0.962 68 D CA 0.241 54.343 54.000 0.170 0.000 0.860 68 D CB -0.045 40.874 40.800 0.199 0.000 0.955 68 D HN -0.035 nan 8.370 nan 0.000 0.505 69 R N 1.311 121.952 120.500 0.236 0.000 3.651 69 R HA -0.139 4.201 4.340 0.001 0.000 0.201 69 R C 0.075 176.362 176.300 -0.021 0.000 0.627 69 R CA 0.248 56.339 56.100 -0.016 0.000 0.952 69 R CB -0.877 29.397 30.300 -0.043 0.000 1.005 69 R HN 0.284 nan 8.270 nan 0.000 0.327 70 L N 3.184 124.373 121.223 -0.057 0.000 2.499 70 L HA -0.029 4.312 4.340 0.001 0.000 0.273 70 L C 1.710 178.550 176.870 -0.050 0.000 1.195 70 L CA 0.636 55.446 54.840 -0.049 0.000 0.882 70 L CB 0.276 42.302 42.059 -0.056 0.000 1.133 70 L HN 0.710 nan 8.230 nan 0.000 0.483 71 T N -2.905 111.617 114.554 -0.052 0.000 2.975 71 T HA 0.158 4.508 4.350 0.001 0.000 0.261 71 T C 0.489 175.140 174.700 -0.081 0.000 0.984 71 T CA -0.112 61.962 62.100 -0.044 0.000 0.911 71 T CB 0.494 69.346 68.868 -0.027 0.000 1.127 71 T HN 0.542 nan 8.240 nan 0.000 0.514 72 T N 3.049 117.522 114.554 -0.136 0.000 2.912 72 T HA 0.557 4.907 4.350 0.001 0.000 0.299 72 T C -3.107 171.406 174.700 -0.312 0.000 1.052 72 T CA -1.417 60.545 62.100 -0.229 0.000 0.996 72 T CB 2.356 71.133 68.868 -0.151 0.000 1.070 72 T HN -0.178 nan 8.240 nan 0.000 0.465 73 P HA 0.327 nan 4.420 nan 0.000 0.269 73 P C -1.193 175.967 177.300 -0.232 0.000 1.209 73 P CA -0.560 62.252 63.100 -0.481 0.000 0.776 73 P CB 0.402 31.660 31.700 -0.737 0.000 0.876 74 L N 3.533 124.681 121.223 -0.124 0.000 2.372 74 L HA 0.409 4.749 4.340 0.001 0.000 0.273 74 L C -0.353 176.661 176.870 0.240 0.000 0.989 74 L CA -0.543 54.322 54.840 0.041 0.000 0.841 74 L CB 0.668 42.697 42.059 -0.049 0.000 1.225 74 L HN 0.286 nan 8.230 nan 0.000 0.414 75 L N 3.711 125.058 121.223 0.206 0.000 2.352 75 L HA 0.541 4.881 4.340 0.001 0.000 0.269 75 L C 0.570 177.549 176.870 0.181 0.000 1.034 75 L CA -0.216 54.737 54.840 0.189 0.000 0.806 75 L CB 1.064 43.184 42.059 0.102 0.000 1.244 75 L HN 0.469 nan 8.230 nan 0.000 0.447 76 R N 5.602 126.167 120.500 0.108 0.000 2.891 76 R HA 0.412 4.752 4.340 0.001 0.000 0.248 76 R C -1.210 175.177 176.300 0.144 0.000 1.439 76 R CA -0.076 55.998 56.100 -0.045 0.000 1.288 76 R CB -0.318 29.902 30.300 -0.133 0.000 1.212 76 R HN 0.735 nan 8.270 nan 0.000 0.605 77 M N 1.513 121.171 119.600 0.096 0.000 4.045 77 M HA -0.199 4.282 4.480 0.001 0.000 0.157 77 M C 0.706 177.080 176.300 0.124 0.000 1.532 77 M CA 0.107 55.465 55.300 0.098 0.000 1.096 77 M CB -0.144 32.509 32.600 0.089 0.000 1.346 77 M HN 0.481 nan 8.290 nan 0.000 0.192 78 K N 2.197 122.650 120.400 0.089 0.000 1.965 78 K HA -0.070 4.250 4.320 0.001 0.000 0.214 78 K C 0.148 176.793 176.600 0.074 0.000 1.046 78 K CA 1.885 58.217 56.287 0.076 0.000 0.944 78 K CB 0.295 32.828 32.500 0.056 0.000 0.726 78 K HN 0.607 nan 8.250 nan 0.000 0.441 79 D N -3.152 117.283 120.400 0.060 0.000 2.419 79 D HA 0.454 5.094 4.640 0.001 0.000 0.234 79 D C -0.293 176.035 176.300 0.046 0.000 1.014 79 D CA 0.587 54.619 54.000 0.053 0.000 0.919 79 D CB 1.998 42.822 40.800 0.039 0.000 1.366 79 D HN 0.434 nan 8.370 nan 0.000 0.490 80 G N -0.412 108.413 108.800 0.042 0.000 2.211 80 G HA2 -0.131 3.829 3.960 0.001 0.000 0.201 80 G HA3 -0.131 3.829 3.960 0.001 0.000 0.201 80 G C 0.707 175.635 174.900 0.046 0.000 0.997 80 G CA 0.226 45.342 45.100 0.028 0.000 0.652 80 G HN 1.015 nan 8.290 nan 0.000 0.500 81 V N -2.252 117.707 119.914 0.075 0.000 0.654 81 V HA 0.015 4.135 4.120 0.001 0.000 0.092 81 V C -0.256 175.962 176.094 0.207 0.000 1.282 81 V CA 2.030 64.399 62.300 0.114 0.000 3.216 81 V CB -1.109 30.769 31.823 0.091 0.000 0.449 81 V HN 2.374 nan 8.190 nan 0.000 0.442 82 Y N 1.533 121.875 120.300 0.071 0.000 2.189 82 Y HA 0.611 5.162 4.550 0.000 0.000 0.318 82 Y C -1.360 174.610 175.900 0.118 0.000 1.382 82 Y CA -0.068 58.082 58.100 0.083 0.000 1.442 82 Y CB 0.296 38.806 38.460 0.084 0.000 1.276 82 Y HN 0.728 nan 8.280 nan 0.000 0.413 83 H N 6.290 124.936 119.070 -0.707 0.000 2.840 83 H HA 0.348 4.905 4.556 0.001 0.000 0.340 83 H C -1.232 173.734 175.328 -0.604 0.000 1.004 83 H CA -0.834 54.815 56.048 -0.665 0.000 1.288 83 H CB 1.882 31.471 29.762 -0.287 0.000 1.607 83 H HN 0.853 nan 8.280 nan 0.000 0.522 84 K N 3.993 123.866 120.400 -0.880 0.000 2.336 84 K HA 0.029 4.350 4.320 0.001 0.000 0.290 84 K C -0.090 176.335 176.600 -0.292 0.000 1.067 84 K CA 0.616 56.661 56.287 -0.404 0.000 0.962 84 K CB 0.155 32.506 32.500 -0.249 0.000 1.008 84 K HN 0.901 nan 8.250 nan 0.000 0.467 85 E N 1.335 121.494 120.200 -0.068 0.000 4.392 85 E HA -0.085 4.266 4.350 0.001 0.000 0.379 85 E C 0.098 176.755 176.600 0.094 0.000 0.645 85 E CA 0.170 56.605 56.400 0.058 0.000 1.534 85 E CB -1.130 28.670 29.700 0.167 0.000 1.832 85 E HN 0.885 nan 8.360 nan 0.000 0.328 86 G N 0.494 109.299 108.800 0.008 0.000 2.783 86 G HA2 0.497 4.457 3.960 0.001 0.000 0.182 86 G HA3 0.497 4.457 3.960 0.001 0.000 0.182 86 G C 0.194 175.037 174.900 -0.095 0.000 1.516 86 G CA 0.030 45.110 45.100 -0.034 0.000 1.079 86 G HN 0.122 nan 8.290 nan 0.000 0.573 87 E N -1.815 118.322 120.200 -0.105 0.000 2.518 87 E HA 0.637 4.988 4.350 0.001 0.000 0.241 87 E C -1.665 174.842 176.600 -0.154 0.000 0.899 87 E CA -0.702 55.660 56.400 -0.063 0.000 0.888 87 E CB 1.769 31.475 29.700 0.010 0.000 1.426 87 E HN 0.250 nan 8.360 nan 0.000 0.401 88 F N 0.037 120.018 119.950 0.052 0.000 2.518 88 F HA 0.649 5.176 4.527 0.000 0.000 0.323 88 F C -0.707 175.112 175.800 0.031 0.000 1.129 88 F CA -0.631 57.397 58.000 0.046 0.000 0.920 88 F CB 2.044 41.065 39.000 0.035 0.000 1.160 88 F HN 0.497 nan 8.300 nan 0.000 0.440 89 A N 5.308 128.277 122.820 0.248 0.000 2.435 89 A HA 0.850 5.170 4.320 0.001 0.000 0.304 89 A C -2.922 174.716 177.584 0.090 0.000 1.064 89 A CA -2.091 50.027 52.037 0.135 0.000 0.727 89 A CB 1.580 20.636 19.000 0.094 0.000 1.284 89 A HN 0.390 nan 8.150 nan 0.000 0.415 90 P HA 0.352 nan 4.420 nan 0.000 0.269 90 P C -0.742 176.549 177.300 -0.015 0.000 1.217 90 P CA 0.084 63.178 63.100 -0.010 0.000 0.783 90 P CB 0.738 32.432 31.700 -0.010 0.000 0.898 91 V N 0.572 120.447 119.914 -0.064 0.000 3.036 91 V HA 0.242 4.362 4.120 0.001 0.000 0.280 91 V C -0.322 175.705 176.094 -0.111 0.000 1.497 91 V CA -0.544 61.724 62.300 -0.052 0.000 0.982 91 V CB 2.002 33.809 31.823 -0.027 0.000 1.171 91 V HN 0.682 nan 8.190 nan 0.000 0.444 92 S N 4.115 119.787 115.700 -0.047 0.000 2.580 92 S HA 0.106 4.576 4.470 0.001 0.000 0.266 92 S C 0.766 175.347 174.600 -0.033 0.000 1.354 92 S CA 1.033 59.221 58.200 -0.020 0.000 1.008 92 S CB 0.527 63.769 63.200 0.070 0.000 0.898 92 S HN 0.737 nan 8.310 nan 0.000 0.555 93 W N 1.254 122.574 121.300 0.032 0.000 2.354 93 W HA -0.076 4.584 4.660 0.000 0.000 0.315 93 W C 2.372 178.906 176.519 0.026 0.000 1.206 93 W CA 1.226 58.568 57.345 -0.005 0.000 1.290 93 W CB -0.346 29.212 29.460 0.164 0.000 1.152 93 W HN 0.759 nan 8.180 nan 0.000 0.489 94 D N 0.182 120.822 120.400 0.400 0.000 2.127 94 D HA -0.226 4.414 4.640 0.001 0.000 0.190 94 D C 1.782 178.234 176.300 0.254 0.000 1.000 94 D CA 1.985 56.190 54.000 0.341 0.000 0.839 94 D CB -0.564 40.383 40.800 0.245 0.000 0.955 94 D HN 0.350 nan 8.370 nan 0.000 0.446 95 E N 0.728 121.024 120.200 0.160 0.000 2.049 95 E HA -0.214 4.137 4.350 0.001 0.000 0.198 95 E C 2.182 178.848 176.600 0.110 0.000 1.007 95 E CA 1.170 57.636 56.400 0.111 0.000 0.809 95 E CB -0.165 29.574 29.700 0.065 0.000 0.749 95 E HN 0.220 nan 8.360 nan 0.000 0.450 96 A N 0.976 123.828 122.820 0.053 0.000 1.917 96 A HA -0.209 4.111 4.320 0.001 0.000 0.219 96 A C 1.952 179.618 177.584 0.137 0.000 1.182 96 A CA 1.518 53.552 52.037 -0.006 0.000 0.633 96 A CB -0.721 18.156 19.000 -0.204 0.000 0.819 96 A HN 0.170 nan 8.150 nan 0.000 0.448 97 F N 0.437 120.530 119.950 0.238 0.000 2.206 97 F HA -0.056 4.471 4.527 0.000 0.000 0.298 97 F C 2.045 177.966 175.800 0.203 0.000 1.090 97 F CA 0.906 59.068 58.000 0.270 0.000 1.323 97 F CB -0.798 38.403 39.000 0.336 0.000 1.028 97 F HN 0.216 nan 8.300 nan 0.000 0.492 98 D N 0.124 120.720 120.400 0.327 0.000 2.106 98 D HA -0.168 4.473 4.640 0.001 0.000 0.191 98 D C 2.534 178.904 176.300 0.117 0.000 0.997 98 D CA 1.525 55.627 54.000 0.169 0.000 0.834 98 D CB -0.642 40.229 40.800 0.119 0.000 0.956 98 D HN 0.081 nan 8.370 nan 0.000 0.448 99 V N 0.724 120.699 119.914 0.102 0.000 2.358 99 V HA -0.187 3.934 4.120 0.001 0.000 0.246 99 V C 2.422 178.502 176.094 -0.023 0.000 1.047 99 V CA 1.306 63.607 62.300 0.002 0.000 1.035 99 V CB -0.394 31.413 31.823 -0.027 0.000 0.658 99 V HN 0.228 nan 8.190 nan 0.000 0.452 100 M N -0.317 119.382 119.600 0.165 0.000 2.296 100 M HA -0.102 4.378 4.480 0.001 0.000 0.265 100 M C 2.037 178.614 176.300 0.461 0.000 1.064 100 M CA 1.774 57.260 55.300 0.310 0.000 1.109 100 M CB -0.155 32.619 32.600 0.290 0.000 1.396 100 M HN 0.404 nan 8.290 nan 0.000 0.430 101 A N -0.131 122.938 122.820 0.415 0.000 1.898 101 A HA 0.094 4.414 4.320 0.001 0.000 0.214 101 A C 2.241 179.841 177.584 0.027 0.000 1.183 101 A CA 1.322 53.536 52.037 0.294 0.000 0.622 101 A CB -0.903 18.098 19.000 0.002 0.000 0.824 101 A HN 0.549 nan 8.150 nan 0.000 0.444 102 A N -0.654 122.154 122.820 -0.019 0.000 1.865 102 A HA -0.227 4.094 4.320 0.001 0.000 0.217 102 A C 2.117 179.653 177.584 -0.079 0.000 1.191 102 A CA 1.772 53.765 52.037 -0.072 0.000 0.623 102 A CB -0.625 18.334 19.000 -0.070 0.000 0.826 102 A HN 0.482 nan 8.150 nan 0.000 0.444 103 Q N -0.409 119.314 119.800 -0.130 0.000 2.112 103 Q HA -0.222 4.118 4.340 0.001 0.000 0.206 103 Q C 2.459 178.462 176.000 0.005 0.000 0.987 103 Q CA 1.756 57.471 55.803 -0.146 0.000 0.858 103 Q CB -0.843 27.578 28.738 -0.529 0.000 0.905 103 Q HN 0.676 nan 8.270 nan 0.000 0.420 104 A N 1.657 124.442 122.820 -0.058 0.000 1.834 104 A HA -0.237 4.083 4.320 0.001 0.000 0.216 104 A C 2.112 179.571 177.584 -0.209 0.000 1.203 104 A CA 1.898 53.659 52.037 -0.460 0.000 0.621 104 A CB -0.601 18.063 19.000 -0.560 0.000 0.841 104 A HN 0.320 nan 8.150 nan 0.000 0.446 105 K N -0.758 119.601 120.400 -0.068 0.000 2.077 105 K HA -0.257 4.064 4.320 0.001 0.000 0.213 105 K C 1.941 178.516 176.600 -0.043 0.000 1.051 105 K CA 1.784 58.053 56.287 -0.031 0.000 0.929 105 K CB -0.669 31.791 32.500 -0.068 0.000 0.715 105 K HN 0.498 nan 8.250 nan 0.000 0.451 106 L N 0.883 122.080 121.223 -0.043 0.000 1.943 106 L HA -0.178 4.162 4.340 0.001 0.000 0.215 106 L C 2.067 178.929 176.870 -0.013 0.000 1.074 106 L CA 1.633 56.459 54.840 -0.023 0.000 0.759 106 L CB -0.842 41.207 42.059 -0.018 0.000 0.888 106 L HN -0.069 nan 8.230 nan 0.000 0.433 107 V N 0.012 119.924 119.914 -0.003 0.000 2.370 107 V HA -0.277 3.843 4.120 0.001 0.000 0.252 107 V C 2.416 178.506 176.094 -0.007 0.000 1.068 107 V CA 1.836 64.148 62.300 0.020 0.000 1.061 107 V CB -0.932 30.937 31.823 0.078 0.000 0.656 107 V HN 0.504 nan 8.190 nan 0.000 0.455 108 L N -0.476 120.716 121.223 -0.051 0.000 2.713 108 L HA 0.103 4.444 4.340 0.001 0.000 0.245 108 L C 1.459 178.324 176.870 -0.009 0.000 1.169 108 L CA 1.348 56.158 54.840 -0.050 0.000 0.962 108 L CB -0.700 41.288 42.059 -0.118 0.000 1.161 108 L HN 0.127 nan 8.230 nan 0.000 0.427 109 K N -1.911 118.487 120.400 -0.004 0.000 2.601 109 K HA 0.188 4.508 4.320 0.001 0.000 0.214 109 K C 1.293 177.894 176.600 0.003 0.000 1.628 109 K CA 0.159 56.449 56.287 0.004 0.000 1.036 109 K CB 0.660 33.162 32.500 0.002 0.000 1.352 109 K HN 0.206 nan 8.250 nan 0.000 0.607 110 E N 0.671 120.872 120.200 0.002 0.000 2.201 110 E HA 0.095 4.446 4.350 0.001 0.000 0.193 110 E C 0.754 177.353 176.600 -0.002 0.000 0.957 110 E CA 0.770 57.171 56.400 0.002 0.000 0.858 110 E CB 0.580 30.285 29.700 0.007 0.000 0.816 110 E HN 0.028 nan 8.360 nan 0.000 0.475 111 K N -0.960 119.439 120.400 -0.001 0.000 2.529 111 K HA 0.301 4.621 4.320 0.001 0.000 0.215 111 K C -0.044 176.543 176.600 -0.022 0.000 1.286 111 K CA 0.469 56.748 56.287 -0.012 0.000 0.997 111 K CB 1.863 34.361 32.500 -0.003 0.000 1.063 111 K HN 0.115 nan 8.250 nan 0.000 0.590 112 A N 1.483 124.300 122.820 -0.006 0.000 6.365 112 A HA -0.180 4.141 4.320 0.001 0.000 0.240 112 A C -2.040 175.560 177.584 0.026 0.000 2.238 112 A CA 0.045 52.084 52.037 0.004 0.000 0.699 112 A CB -1.968 17.027 19.000 -0.009 0.000 0.959 112 A HN 0.091 nan 8.150 nan 0.000 0.362 113 P HA -0.198 nan 4.420 nan 0.000 0.219 113 P C 0.764 178.195 177.300 0.217 0.000 1.158 113 P CA 2.138 65.368 63.100 0.217 0.000 0.895 113 P CB -0.411 31.533 31.700 0.407 0.000 0.792 114 E N -1.104 119.037 120.200 -0.099 0.000 2.482 114 E HA 0.079 4.429 4.350 0.001 0.000 0.200 114 E C 1.288 177.905 176.600 0.028 0.000 1.147 114 E CA 0.521 56.805 56.400 -0.193 0.000 0.912 114 E CB -0.329 29.036 29.700 -0.559 0.000 0.938 114 E HN 0.307 nan 8.360 nan 0.000 0.519 115 A N 0.551 123.431 122.820 0.099 0.000 2.340 115 A HA 0.132 4.452 4.320 0.001 0.000 0.213 115 A C 0.892 178.603 177.584 0.213 0.000 1.299 115 A CA -0.256 51.853 52.037 0.121 0.000 0.994 115 A CB 0.553 19.596 19.000 0.072 0.000 1.132 115 A HN 0.105 nan 8.150 nan 0.000 0.519 116 V N -1.332 118.734 119.914 0.253 0.000 2.644 116 V HA 0.832 4.953 4.120 0.001 0.000 0.295 116 V C 0.238 176.599 176.094 0.446 0.000 1.053 116 V CA -0.013 62.504 62.300 0.361 0.000 0.987 116 V CB 0.985 32.924 31.823 0.194 0.000 1.006 116 V HN 0.609 nan 8.190 nan 0.000 0.472 117 G N 3.281 112.415 108.800 0.558 0.000 2.746 117 G HA2 0.638 4.599 3.960 0.001 0.000 0.297 117 G HA3 0.638 4.599 3.960 0.001 0.000 0.297 117 G C -1.327 173.815 174.900 0.405 0.000 1.426 117 G CA -0.881 44.538 45.100 0.532 0.000 0.989 117 G HN 0.660 nan 8.290 nan 0.000 0.520 118 M N 1.056 120.842 119.600 0.310 0.000 2.598 118 M HA 0.588 5.068 4.480 0.001 0.000 0.317 118 M C -1.717 174.675 176.300 0.154 0.000 1.179 118 M CA -0.832 54.568 55.300 0.168 0.000 0.936 118 M CB 2.823 35.585 32.600 0.270 0.000 1.713 118 M HN 0.434 nan 8.290 nan 0.000 0.460 119 F N 1.289 121.104 119.950 -0.226 0.000 2.646 119 F HA 0.586 5.113 4.527 0.000 0.000 0.364 119 F C 0.063 175.652 175.800 -0.353 0.000 1.137 119 F CA -0.663 57.218 58.000 -0.200 0.000 1.085 119 F CB 0.755 39.660 39.000 -0.159 0.000 1.331 119 F HN 0.557 nan 8.300 nan 0.000 0.472 120 G N 1.821 110.179 108.800 -0.735 0.000 2.531 120 G HA2 0.597 4.558 3.960 0.001 0.000 0.281 120 G HA3 0.597 4.558 3.960 0.001 0.000 0.281 120 G C -0.814 173.421 174.900 -1.109 0.000 1.382 120 G CA -0.089 44.170 45.100 -1.402 0.000 1.045 120 G HN 0.850 nan 8.290 nan 0.000 0.533 121 S N -3.247 111.868 115.700 -0.974 0.000 2.588 121 S HA 0.514 4.985 4.470 0.001 0.000 0.269 121 S C 0.533 175.047 174.600 -0.142 0.000 1.157 121 S CA 0.176 58.087 58.200 -0.481 0.000 0.824 121 S CB 1.295 64.266 63.200 -0.381 0.000 1.126 121 S HN 1.366 nan 8.310 nan 0.000 0.464 122 G N -0.158 108.612 108.800 -0.050 0.000 3.155 122 G HA2 0.177 4.137 3.960 0.001 0.000 0.213 122 G HA3 0.177 4.137 3.960 0.001 0.000 0.213 122 G C 0.526 175.460 174.900 0.057 0.000 1.196 122 G CA -0.019 45.115 45.100 0.056 0.000 0.846 122 G HN 0.710 nan 8.290 nan 0.000 0.516 123 Q N -1.452 118.400 119.800 0.086 0.000 2.214 123 Q HA 0.104 4.444 4.340 0.001 0.000 0.229 123 Q C 0.160 176.389 176.000 0.382 0.000 0.835 123 Q CA -0.724 55.164 55.803 0.141 0.000 0.953 123 Q CB 0.769 29.607 28.738 0.166 0.000 1.131 123 Q HN 0.379 nan 8.270 nan 0.000 0.501 124 W N 2.206 123.606 121.300 0.167 0.000 2.150 124 W HA 0.138 4.799 4.660 0.000 0.000 0.341 124 W C 0.592 177.236 176.519 0.210 0.000 1.276 124 W CA -0.156 57.273 57.345 0.140 0.000 1.238 124 W CB 0.682 30.151 29.460 0.014 0.000 1.128 124 W HN -0.177 nan 8.180 nan 0.000 0.581 125 T N 4.677 119.389 114.554 0.263 0.000 2.860 125 T HA 0.090 4.440 4.350 0.001 0.000 0.299 125 T C 1.960 176.455 174.700 -0.341 0.000 1.045 125 T CA -0.456 61.527 62.100 -0.196 0.000 1.071 125 T CB 0.689 69.195 68.868 -0.602 0.000 0.985 125 T HN 0.262 nan 8.240 nan 0.000 0.537 126 I N 0.230 120.463 120.570 -0.560 0.000 2.145 126 I HA -0.259 3.912 4.170 0.001 0.000 0.244 126 I C 2.066 177.961 176.117 -0.369 0.000 1.075 126 I CA 1.933 62.966 61.300 -0.445 0.000 1.332 126 I CB -0.273 37.475 38.000 -0.420 0.000 1.033 126 I HN 0.849 nan 8.210 nan 0.000 0.410 127 W N 0.908 122.100 121.300 -0.179 0.000 2.800 127 W HA 0.054 4.714 4.660 0.001 0.000 0.249 127 W C 1.856 178.233 176.519 -0.236 0.000 1.294 127 W CA 0.071 57.333 57.345 -0.139 0.000 1.402 127 W CB -1.038 28.368 29.460 -0.090 0.000 1.126 127 W HN 0.071 nan 8.180 nan 0.000 0.652 128 E N 0.742 120.827 120.200 -0.193 0.000 2.122 128 E HA -0.018 4.332 4.350 0.001 0.000 0.190 128 E C 2.506 178.504 176.600 -1.003 0.000 0.977 128 E CA 1.094 57.187 56.400 -0.512 0.000 0.820 128 E CB -0.489 28.889 29.700 -0.537 0.000 0.770 128 E HN 0.451 nan 8.360 nan 0.000 0.462 129 G N 0.168 108.522 108.800 -0.742 0.000 2.511 129 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 129 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 129 G C 1.264 175.936 174.900 -0.379 0.000 1.133 129 G CA 0.157 44.867 45.100 -0.650 0.000 0.792 129 G HN 0.250 nan 8.290 nan 0.000 0.539 130 Y N 1.314 121.363 120.300 -0.418 0.000 2.201 130 Y HA 0.205 4.755 4.550 0.001 0.000 0.292 130 Y C 2.926 178.670 175.900 -0.261 0.000 1.119 130 Y CA 1.137 59.053 58.100 -0.308 0.000 1.127 130 Y CB 0.041 38.335 38.460 -0.277 0.000 1.019 130 Y HN 0.213 nan 8.280 nan 0.000 0.514 131 A N 0.644 123.296 122.820 -0.280 0.000 1.978 131 A HA -0.196 4.124 4.320 0.001 0.000 0.220 131 A C 2.263 179.661 177.584 -0.310 0.000 1.170 131 A CA 1.821 53.713 52.037 -0.242 0.000 0.636 131 A CB -1.352 17.506 19.000 -0.237 0.000 0.810 131 A HN 0.623 nan 8.150 nan 0.000 0.448 132 A N -1.012 121.528 122.820 -0.466 0.000 1.855 132 A HA -0.065 4.255 4.320 0.001 0.000 0.215 132 A C 2.470 179.887 177.584 -0.279 0.000 1.191 132 A CA 2.009 53.802 52.037 -0.407 0.000 0.613 132 A CB -1.106 17.474 19.000 -0.700 0.000 0.829 132 A HN 0.534 nan 8.150 nan 0.000 0.442 133 S N -0.602 114.924 115.700 -0.290 0.000 2.365 133 S HA -0.245 4.225 4.470 0.001 0.000 0.225 133 S C 2.103 176.496 174.600 -0.344 0.000 1.039 133 S CA 2.150 60.235 58.200 -0.192 0.000 1.033 133 S CB -0.324 62.822 63.200 -0.091 0.000 0.887 133 S HN 0.562 nan 8.310 nan 0.000 0.447 134 K N 0.080 120.075 120.400 -0.674 0.000 1.991 134 K HA -0.114 4.207 4.320 0.001 0.000 0.212 134 K C 2.115 178.328 176.600 -0.645 0.000 1.049 134 K CA 1.664 57.327 56.287 -1.040 0.000 0.932 134 K CB -0.490 31.257 32.500 -1.255 0.000 0.717 134 K HN 0.337 nan 8.250 nan 0.000 0.441 135 L N 0.815 121.755 121.223 -0.472 0.000 2.043 135 L HA -0.215 4.125 4.340 0.001 0.000 0.212 135 L C 2.036 178.653 176.870 -0.422 0.000 1.075 135 L CA 1.823 56.403 54.840 -0.433 0.000 0.752 135 L CB -0.353 41.562 42.059 -0.239 0.000 0.891 135 L HN 0.279 nan 8.230 nan 0.000 0.432 136 M N -1.091 118.392 119.600 -0.196 0.000 2.229 136 M HA -0.108 4.372 4.480 0.001 0.000 0.264 136 M C 2.371 178.671 176.300 -0.000 0.000 1.063 136 M CA 1.572 56.870 55.300 -0.003 0.000 1.114 136 M CB -0.778 31.882 32.600 0.100 0.000 1.387 136 M HN 0.321 nan 8.290 nan 0.000 0.420 137 R N -0.846 119.606 120.500 -0.081 0.000 2.064 137 R HA 0.244 4.584 4.340 0.001 0.000 0.210 137 R C 2.238 178.517 176.300 -0.035 0.000 1.221 137 R CA 0.883 56.965 56.100 -0.029 0.000 1.055 137 R CB -0.630 29.687 30.300 0.027 0.000 0.946 137 R HN 0.260 nan 8.270 nan 0.000 0.459 138 A N 0.903 123.665 122.820 -0.096 0.000 2.019 138 A HA -0.023 4.297 4.320 0.001 0.000 0.219 138 A C 1.890 179.491 177.584 0.028 0.000 1.164 138 A CA 1.810 53.801 52.037 -0.076 0.000 0.644 138 A CB -0.856 18.025 19.000 -0.198 0.000 0.805 138 A HN 0.465 nan 8.150 nan 0.000 0.449 139 G N -1.346 107.389 108.800 -0.109 0.000 2.632 139 G HA2 0.138 4.099 3.960 0.001 0.000 0.220 139 G HA3 0.138 4.099 3.960 0.001 0.000 0.220 139 G C 1.052 175.986 174.900 0.057 0.000 1.439 139 G CA 0.383 45.403 45.100 -0.132 0.000 0.934 139 G HN 0.404 nan 8.290 nan 0.000 0.536 140 F N 0.904 120.825 119.950 -0.049 0.000 2.722 140 F HA 0.164 4.692 4.527 0.000 0.000 0.298 140 F C 1.170 177.026 175.800 0.092 0.000 1.175 140 F CA 0.057 58.038 58.000 -0.032 0.000 1.462 140 F CB 0.014 38.966 39.000 -0.080 0.000 1.111 140 F HN 0.021 nan 8.300 nan 0.000 0.592 141 R N 0.817 121.461 120.500 0.240 0.000 3.333 141 R HA -0.197 4.143 4.340 0.001 0.000 0.256 141 R C -0.297 176.184 176.300 0.302 0.000 1.010 141 R CA 0.618 56.834 56.100 0.192 0.000 0.680 141 R CB -1.870 28.539 30.300 0.182 0.000 1.102 141 R HN 0.220 nan 8.270 nan 0.000 0.440 142 S N -0.319 115.528 115.700 0.245 0.000 2.557 142 S HA 0.410 4.880 4.470 0.001 0.000 0.291 142 S C 0.234 174.774 174.600 -0.100 0.000 1.116 142 S CA -0.944 57.424 58.200 0.279 0.000 0.992 142 S CB 1.308 64.792 63.200 0.472 0.000 1.028 142 S HN 0.271 nan 8.310 nan 0.000 0.484 143 N N 3.754 122.056 118.700 -0.663 0.000 2.279 143 N HA 0.153 4.893 4.740 0.001 0.000 0.226 143 N C -0.118 175.327 175.510 -0.108 0.000 1.126 143 N CA 0.004 52.786 53.050 -0.446 0.000 0.846 143 N CB -0.137 37.939 38.487 -0.684 0.000 1.050 143 N HN 0.679 nan 8.380 nan 0.000 0.502 144 N N 0.891 119.665 118.700 0.123 0.000 2.484 144 N HA 0.021 4.761 4.740 0.001 0.000 0.245 144 N C -0.666 175.016 175.510 0.287 0.000 1.184 144 N CA -0.138 53.094 53.050 0.303 0.000 0.884 144 N CB 0.150 38.899 38.487 0.436 0.000 1.182 144 N HN 0.074 nan 8.380 nan 0.000 0.493 145 L N 0.505 121.856 121.223 0.214 0.000 2.276 145 L HA 0.475 4.815 4.340 0.001 0.000 0.286 145 L C -1.014 175.971 176.870 0.193 0.000 1.024 145 L CA -0.210 54.756 54.840 0.211 0.000 0.826 145 L CB 1.099 43.255 42.059 0.161 0.000 1.211 145 L HN -0.102 nan 8.230 nan 0.000 0.422 146 D N 6.295 126.825 120.400 0.216 0.000 2.601 146 D HA 0.698 5.338 4.640 0.001 0.000 0.230 146 D C -2.906 173.306 176.300 -0.147 0.000 1.106 146 D CA -1.245 52.839 54.000 0.139 0.000 0.873 146 D CB 3.151 44.156 40.800 0.341 0.000 1.515 146 D HN 0.334 nan 8.370 nan 0.000 0.468 147 P HA 0.273 nan 4.420 nan 0.000 0.293 147 P C -0.071 176.698 177.300 -0.885 0.000 1.305 147 P CA -0.425 62.188 63.100 -0.811 0.000 0.874 147 P CB 1.219 32.461 31.700 -0.763 0.000 1.288 148 N N -0.213 117.949 118.700 -0.897 0.000 2.459 148 N HA -0.080 4.660 4.740 0.001 0.000 0.181 148 N C 1.492 176.876 175.510 -0.211 0.000 1.046 148 N CA 1.098 53.849 53.050 -0.499 0.000 0.904 148 N CB -1.556 36.761 38.487 -0.282 0.000 0.964 148 N HN 0.361 nan 8.380 nan 0.000 0.444 149 A N 0.909 123.601 122.820 -0.214 0.000 2.178 149 A HA -0.067 4.253 4.320 0.001 0.000 0.218 149 A C 2.272 179.977 177.584 0.202 0.000 1.157 149 A CA 1.009 53.064 52.037 0.030 0.000 0.689 149 A CB -0.690 18.340 19.000 0.051 0.000 0.787 149 A HN 0.357 nan 8.150 nan 0.000 0.465 150 R N -0.782 119.769 120.500 0.085 0.000 2.115 150 R HA -0.139 4.202 4.340 0.001 0.000 0.230 150 R C 1.689 178.150 176.300 0.268 0.000 1.111 150 R CA 1.644 57.896 56.100 0.254 0.000 0.976 150 R CB -0.378 30.028 30.300 0.177 0.000 0.870 150 R HN 0.611 nan 8.270 nan 0.000 0.445 151 H N -1.470 117.766 119.070 0.278 0.000 2.529 151 H HA -0.016 4.541 4.556 0.000 0.000 0.277 151 H C 1.767 177.259 175.328 0.273 0.000 0.999 151 H CA 0.983 57.219 56.048 0.312 0.000 1.256 151 H CB -0.252 29.688 29.762 0.297 0.000 1.402 151 H HN 0.338 nan 8.280 nan 0.000 0.566 152 C N -0.262 119.238 119.300 0.333 0.000 2.654 152 C HA 0.114 4.574 4.460 0.001 0.000 0.288 152 C C 1.948 177.111 174.990 0.289 0.000 1.578 152 C CA 0.100 59.285 59.018 0.278 0.000 1.941 152 C CB -0.366 27.507 27.740 0.221 0.000 1.856 152 C HN 0.268 nan 8.230 nan 0.000 0.706 153 M N 1.457 121.242 119.600 0.309 0.000 2.371 153 M HA 0.314 4.794 4.480 0.001 0.000 0.246 153 M C 1.928 178.396 176.300 0.281 0.000 1.103 153 M CA 0.629 56.111 55.300 0.303 0.000 1.010 153 M CB -1.429 31.358 32.600 0.313 0.000 1.457 153 M HN 0.523 nan 8.290 nan 0.000 0.486 154 A N 0.533 123.531 122.820 0.296 0.000 1.869 154 A HA -0.203 4.118 4.320 0.001 0.000 0.218 154 A C 2.461 180.134 177.584 0.148 0.000 1.203 154 A CA 2.621 54.781 52.037 0.205 0.000 0.638 154 A CB -0.975 18.168 19.000 0.237 0.000 0.831 154 A HN 0.439 nan 8.150 nan 0.000 0.450 155 S N -0.318 115.479 115.700 0.161 0.000 2.369 155 S HA -0.199 4.271 4.470 0.001 0.000 0.225 155 S C 2.338 177.013 174.600 0.126 0.000 1.043 155 S CA 1.778 60.051 58.200 0.121 0.000 1.074 155 S CB -0.727 62.556 63.200 0.139 0.000 0.962 155 S HN 0.910 nan 8.310 nan 0.000 0.433 156 A N 1.469 124.406 122.820 0.196 0.000 1.883 156 A HA 0.036 4.356 4.320 0.001 0.000 0.217 156 A C 2.387 180.097 177.584 0.209 0.000 1.186 156 A CA 1.977 54.132 52.037 0.196 0.000 0.624 156 A CB -1.226 17.940 19.000 0.277 0.000 0.822 156 A HN 0.558 nan 8.150 nan 0.000 0.444 157 A N -1.245 121.753 122.820 0.296 0.000 1.877 157 A HA -0.097 4.223 4.320 0.001 0.000 0.216 157 A C 2.326 180.057 177.584 0.244 0.000 1.186 157 A CA 2.366 54.612 52.037 0.349 0.000 0.620 157 A CB -1.347 17.732 19.000 0.131 0.000 0.822 157 A HN 0.431 nan 8.150 nan 0.000 0.443 158 T N 0.239 114.870 114.554 0.129 0.000 2.652 158 T HA -0.073 4.277 4.350 0.001 0.000 0.267 158 T C 2.206 176.954 174.700 0.079 0.000 1.039 158 T CA 1.830 63.981 62.100 0.086 0.000 1.153 158 T CB -0.478 68.417 68.868 0.044 0.000 0.863 158 T HN 0.608 nan 8.240 nan 0.000 0.428 159 A N 0.238 123.059 122.820 0.003 0.000 1.972 159 A HA 0.023 4.343 4.320 0.001 0.000 0.219 159 A C 2.016 179.553 177.584 -0.079 0.000 1.169 159 A CA 1.126 53.035 52.037 -0.212 0.000 0.635 159 A CB -1.002 17.770 19.000 -0.379 0.000 0.810 159 A HN 0.527 nan 8.150 nan 0.000 0.446 160 F N -0.599 119.403 119.950 0.088 0.000 2.046 160 F HA -0.292 4.235 4.527 0.001 0.000 0.297 160 F C 2.709 178.575 175.800 0.110 0.000 1.123 160 F CA 1.520 59.604 58.000 0.139 0.000 1.199 160 F CB -0.186 38.897 39.000 0.137 0.000 0.972 160 F HN 0.131 nan 8.300 nan 0.000 0.474 161 M N 0.168 119.952 119.600 0.306 0.000 2.065 161 M HA -0.218 4.262 4.480 0.001 0.000 0.259 161 M C 2.121 178.493 176.300 0.119 0.000 1.071 161 M CA 1.791 57.206 55.300 0.191 0.000 1.109 161 M CB -1.482 31.211 32.600 0.155 0.000 1.313 161 M HN 0.098 nan 8.290 nan 0.000 0.408 162 R N -0.106 120.457 120.500 0.105 0.000 2.094 162 R HA -0.169 4.171 4.340 0.001 0.000 0.239 162 R C 2.256 178.562 176.300 0.012 0.000 1.137 162 R CA 2.340 58.498 56.100 0.097 0.000 0.943 162 R CB -1.264 29.174 30.300 0.230 0.000 0.850 162 R HN 0.624 nan 8.270 nan 0.000 0.433 163 T N -1.977 112.527 114.554 -0.084 0.000 2.896 163 T HA -0.010 4.340 4.350 0.001 0.000 0.263 163 T C 1.480 175.730 174.700 -0.750 0.000 1.050 163 T CA 0.871 62.688 62.100 -0.472 0.000 1.140 163 T CB -0.069 68.301 68.868 -0.831 0.000 0.877 163 T HN 0.171 nan 8.240 nan 0.000 0.457 164 F N 0.854 120.677 119.950 -0.211 0.000 2.706 164 F HA 0.538 5.065 4.527 0.000 0.000 0.308 164 F C 1.974 177.702 175.800 -0.121 0.000 1.095 164 F CA -0.267 57.584 58.000 -0.249 0.000 1.244 164 F CB 0.258 39.139 39.000 -0.198 0.000 1.063 164 F HN 0.347 nan 8.300 nan 0.000 0.582 165 G N 1.104 109.969 108.800 0.109 0.000 2.175 165 G HA2 -0.333 3.628 3.960 0.001 0.000 0.265 165 G HA3 -0.333 3.628 3.960 0.001 0.000 0.265 165 G C 0.141 175.128 174.900 0.146 0.000 0.979 165 G CA 0.587 45.750 45.100 0.105 0.000 0.663 165 G HN 0.347 nan 8.290 nan 0.000 0.533 166 M N -0.304 119.407 119.600 0.184 0.000 2.413 166 M HA 0.356 4.837 4.480 0.001 0.000 0.287 166 M C -1.291 175.055 176.300 0.077 0.000 1.186 166 M CA -0.780 54.621 55.300 0.168 0.000 0.927 166 M CB 1.867 34.572 32.600 0.174 0.000 1.715 166 M HN 0.108 nan 8.290 nan 0.000 0.478 167 D N 2.115 122.528 120.400 0.021 0.000 2.383 167 D HA 0.327 4.967 4.640 0.001 0.000 0.248 167 D C -0.770 175.130 176.300 -0.667 0.000 1.170 167 D CA 1.150 54.987 54.000 -0.271 0.000 0.977 167 D CB 0.794 41.585 40.800 -0.016 0.000 1.120 167 D HN 0.517 nan 8.370 nan 0.000 0.481 168 E N -1.573 117.875 120.200 -1.254 0.000 8.380 168 E HA -0.137 4.213 4.350 0.001 0.000 0.467 168 E C -2.476 173.421 176.600 -1.172 0.000 0.976 168 E CA -0.094 55.731 56.400 -0.958 0.000 1.699 168 E CB -1.652 27.833 29.700 -0.358 0.000 0.997 168 E HN 0.334 nan 8.360 nan 0.000 0.265 169 P HA 0.028 nan 4.420 nan 0.000 0.271 169 P C 1.047 178.135 177.300 -0.353 0.000 1.233 169 P CA -0.072 62.882 63.100 -0.243 0.000 0.789 169 P CB 0.295 31.738 31.700 -0.427 0.000 0.951 170 M N -0.709 118.760 119.600 -0.218 0.000 2.382 170 M HA 0.313 4.794 4.480 0.001 0.000 0.247 170 M C 0.639 176.867 176.300 -0.120 0.000 1.104 170 M CA 0.527 55.660 55.300 -0.279 0.000 1.030 170 M CB -0.988 31.528 32.600 -0.141 0.000 1.424 170 M HN 0.212 nan 8.290 nan 0.000 0.486 171 G N 1.238 110.034 108.800 -0.006 0.000 2.702 171 G HA2 0.643 4.603 3.960 0.001 0.000 0.254 171 G HA3 0.643 4.603 3.960 0.001 0.000 0.254 171 G C -0.732 174.070 174.900 -0.163 0.000 1.380 171 G CA 0.086 45.206 45.100 0.034 0.000 1.042 171 G HN 0.744 nan 8.290 nan 0.000 0.557 172 C N -4.111 115.012 119.300 -0.295 0.000 3.275 172 C HA 0.464 4.924 4.460 0.001 0.000 0.340 172 C C 0.962 175.693 174.990 -0.431 0.000 1.366 172 C CA -1.104 57.657 59.018 -0.429 0.000 1.227 172 C CB -0.261 27.049 27.740 -0.717 0.000 1.512 172 C HN 0.848 nan 8.230 nan 0.000 0.461 173 Y N 0.149 120.226 120.300 -0.372 0.000 2.348 173 Y HA -0.226 4.324 4.550 0.000 0.000 0.285 173 Y C 1.853 177.745 175.900 -0.013 0.000 1.173 173 Y CA 1.629 59.644 58.100 -0.143 0.000 1.263 173 Y CB -0.254 38.278 38.460 0.120 0.000 0.974 173 Y HN 0.778 nan 8.280 nan 0.000 0.547 174 D N 0.163 120.583 120.400 0.032 0.000 2.265 174 D HA -0.162 4.478 4.640 0.001 0.000 0.208 174 D C 1.501 177.891 176.300 0.149 0.000 0.977 174 D CA 1.256 55.300 54.000 0.073 0.000 0.871 174 D CB -0.193 40.548 40.800 -0.099 0.000 0.925 174 D HN 0.313 nan 8.370 nan 0.000 0.485 175 D N -0.572 119.845 120.400 0.028 0.000 2.144 175 D HA -0.133 4.508 4.640 0.001 0.000 0.200 175 D C 1.766 178.053 176.300 -0.021 0.000 0.978 175 D CA 0.509 54.506 54.000 -0.004 0.000 0.833 175 D CB -0.327 40.384 40.800 -0.148 0.000 0.961 175 D HN 0.321 nan 8.370 nan 0.000 0.470 176 F N 1.143 121.148 119.950 0.090 0.000 2.147 176 F HA -0.209 4.318 4.527 0.000 0.000 0.301 176 F C 2.262 178.177 175.800 0.193 0.000 1.084 176 F CA 1.049 59.163 58.000 0.190 0.000 1.268 176 F CB -0.045 38.981 39.000 0.043 0.000 1.009 176 F HN -0.081 nan 8.300 nan 0.000 0.486 177 E N -0.615 119.762 120.200 0.296 0.000 2.385 177 E HA 0.059 4.409 4.350 0.001 0.000 0.194 177 E C 1.835 178.521 176.600 0.143 0.000 1.013 177 E CA 0.702 57.227 56.400 0.209 0.000 0.866 177 E CB -0.058 29.744 29.700 0.170 0.000 0.832 177 E HN 0.327 nan 8.360 nan 0.000 0.500 178 A N 0.445 123.325 122.820 0.100 0.000 2.140 178 A HA 0.509 4.830 4.320 0.001 0.000 0.209 178 A C 1.358 178.918 177.584 -0.041 0.000 1.181 178 A CA 0.351 52.407 52.037 0.030 0.000 0.824 178 A CB -0.039 18.976 19.000 0.026 0.000 0.879 178 A HN 0.217 nan 8.150 nan 0.000 0.480 179 A N 0.164 122.908 122.820 -0.127 0.000 2.536 179 A HA 0.279 4.599 4.320 0.001 0.000 0.234 179 A C 0.451 177.883 177.584 -0.254 0.000 1.076 179 A CA 0.668 52.501 52.037 -0.339 0.000 0.769 179 A CB 0.122 18.597 19.000 -0.876 0.000 1.020 179 A HN 0.295 nan 8.150 nan 0.000 0.508 180 D N -0.589 119.670 120.400 -0.235 0.000 2.449 180 D HA 0.443 5.084 4.640 0.001 0.000 0.210 180 D C 0.050 176.292 176.300 -0.096 0.000 1.094 180 D CA 1.456 55.459 54.000 0.004 0.000 0.846 180 D CB 0.707 41.587 40.800 0.133 0.000 1.003 180 D HN 0.888 nan 8.370 nan 0.000 0.504 181 A N 0.144 122.658 122.820 -0.510 0.000 2.596 181 A HA 0.452 4.773 4.320 0.001 0.000 0.305 181 A C -1.836 174.841 177.584 -1.513 0.000 1.032 181 A CA -0.729 50.882 52.037 -0.711 0.000 0.776 181 A CB 0.033 18.918 19.000 -0.192 0.000 1.253 181 A HN -0.058 nan 8.150 nan 0.000 0.402 182 F N 1.063 120.504 119.950 -0.848 0.000 2.436 182 F HA 0.634 5.161 4.527 0.000 0.000 0.340 182 F C 0.316 175.781 175.800 -0.558 0.000 1.113 182 F CA -0.779 56.810 58.000 -0.685 0.000 1.022 182 F CB 2.249 41.090 39.000 -0.265 0.000 1.128 182 F HN 0.316 nan 8.300 nan 0.000 0.466 183 V N 4.820 124.567 119.914 -0.278 0.000 2.409 183 V HA 0.349 4.469 4.120 0.001 0.000 0.291 183 V C -0.610 175.559 176.094 0.126 0.000 1.020 183 V CA -0.653 61.670 62.300 0.038 0.000 0.848 183 V CB 1.775 33.825 31.823 0.378 0.000 0.990 183 V HN 0.523 nan 8.190 nan 0.000 0.430 184 L N 5.531 126.771 121.223 0.028 0.000 2.287 184 L HA 0.421 4.761 4.340 0.001 0.000 0.280 184 L C -0.562 176.282 176.870 -0.044 0.000 1.055 184 L CA 0.104 54.990 54.840 0.077 0.000 0.863 184 L CB 0.626 42.740 42.059 0.092 0.000 1.245 184 L HN 0.656 nan 8.230 nan 0.000 0.432 185 W N 4.856 126.194 121.300 0.063 0.000 1.564 185 W HA 0.389 5.050 4.660 0.000 0.000 0.480 185 W C 1.454 177.881 176.519 -0.154 0.000 0.699 185 W CA 0.246 57.511 57.345 -0.134 0.000 1.985 185 W CB 0.057 29.152 29.460 -0.607 0.000 1.738 185 W HN 0.764 nan 8.180 nan 0.000 0.218 186 G N 0.959 109.846 108.800 0.146 0.000 2.143 186 G HA2 -0.285 3.675 3.960 0.001 0.000 0.248 186 G HA3 -0.285 3.675 3.960 0.001 0.000 0.248 186 G C 0.488 175.435 174.900 0.079 0.000 0.991 186 G CA 0.048 45.239 45.100 0.151 0.000 0.689 186 G HN 0.325 nan 8.290 nan 0.000 0.522 187 S N -0.728 115.002 115.700 0.049 0.000 2.652 187 S HA 0.572 5.043 4.470 0.001 0.000 0.270 187 S C 0.705 175.209 174.600 -0.160 0.000 1.243 187 S CA -0.026 58.169 58.200 -0.008 0.000 0.999 187 S CB 1.069 64.271 63.200 0.003 0.000 0.973 187 S HN 0.471 nan 8.310 nan 0.000 0.544 188 N N 1.393 119.935 118.700 -0.262 0.000 2.646 188 N HA 0.180 4.921 4.740 0.001 0.000 0.303 188 N C 0.946 176.156 175.510 -0.500 0.000 1.921 188 N CA -0.053 52.648 53.050 -0.582 0.000 0.872 188 N CB 0.007 38.185 38.487 -0.514 0.000 1.327 188 N HN 0.532 nan 8.380 nan 0.000 0.492 189 M N 0.059 119.355 119.600 -0.507 0.000 2.108 189 M HA -0.210 4.271 4.480 0.001 0.000 0.257 189 M C 2.360 178.336 176.300 -0.539 0.000 1.071 189 M CA 1.892 56.982 55.300 -0.350 0.000 1.093 189 M CB -0.497 32.007 32.600 -0.161 0.000 1.345 189 M HN 0.424 nan 8.290 nan 0.000 0.403 190 A N 0.202 122.277 122.820 -1.241 0.000 1.971 190 A HA -0.227 4.093 4.320 0.001 0.000 0.222 190 A C 1.917 179.258 177.584 -0.405 0.000 1.182 190 A CA 2.239 53.651 52.037 -1.043 0.000 0.649 190 A CB -0.584 17.796 19.000 -1.034 0.000 0.818 190 A HN 0.671 nan 8.150 nan 0.000 0.458 191 E N -2.359 117.626 120.200 -0.359 0.000 2.434 191 E HA 0.098 4.449 4.350 0.001 0.000 0.207 191 E C 1.164 177.674 176.600 -0.150 0.000 0.929 191 E CA 0.165 56.440 56.400 -0.209 0.000 1.001 191 E CB 0.217 29.801 29.700 -0.193 0.000 1.016 191 E HN 0.516 nan 8.360 nan 0.000 0.502 192 M N -0.494 119.032 119.600 -0.122 0.000 2.421 192 M HA 0.185 4.665 4.480 0.001 0.000 0.258 192 M C 0.091 176.316 176.300 -0.125 0.000 1.122 192 M CA 0.787 56.052 55.300 -0.058 0.000 1.078 192 M CB -0.260 32.373 32.600 0.055 0.000 1.380 192 M HN -0.023 nan 8.290 nan 0.000 0.499 193 H N -1.049 117.980 119.070 -0.068 0.000 2.695 193 H HA 0.275 4.831 4.556 0.001 0.000 0.222 193 H C -2.019 173.272 175.328 -0.062 0.000 1.412 193 H CA -0.989 55.035 56.048 -0.039 0.000 1.347 193 H CB 0.488 30.246 29.762 -0.007 0.000 1.858 193 H HN -0.042 nan 8.280 nan 0.000 0.519 194 P HA -0.209 nan 4.420 nan 0.000 0.214 194 P C 1.398 178.689 177.300 -0.014 0.000 1.163 194 P CA 1.108 64.213 63.100 0.008 0.000 0.889 194 P CB 0.381 32.059 31.700 -0.036 0.000 0.790 195 I N -1.675 118.845 120.570 -0.084 0.000 2.614 195 I HA -0.122 4.049 4.170 0.001 0.000 0.258 195 I C 2.171 178.126 176.117 -0.271 0.000 1.189 195 I CA 1.148 62.358 61.300 -0.150 0.000 1.462 195 I CB -1.398 36.514 38.000 -0.147 0.000 1.092 195 I HN 0.021 nan 8.210 nan 0.000 0.442 196 L N -1.179 119.871 121.223 -0.288 0.000 2.095 196 L HA -0.165 4.175 4.340 0.001 0.000 0.204 196 L C 2.510 179.037 176.870 -0.572 0.000 1.080 196 L CA 1.084 55.549 54.840 -0.625 0.000 0.759 196 L CB -0.498 41.289 42.059 -0.455 0.000 0.914 196 L HN 0.431 nan 8.230 nan 0.000 0.439 197 W N 0.467 121.514 121.300 -0.422 0.000 2.374 197 W HA -0.238 4.422 4.660 0.000 0.000 0.288 197 W C 2.620 178.927 176.519 -0.353 0.000 1.218 197 W CA 1.491 58.623 57.345 -0.354 0.000 1.245 197 W CB 0.146 29.470 29.460 -0.227 0.000 1.126 197 W HN 0.192 nan 8.180 nan 0.000 0.545 198 S N 0.629 116.184 115.700 -0.241 0.000 2.368 198 S HA -0.176 4.295 4.470 0.001 0.000 0.224 198 S C 1.924 176.291 174.600 -0.389 0.000 1.029 198 S CA 1.126 59.151 58.200 -0.292 0.000 0.988 198 S CB -0.363 62.729 63.200 -0.181 0.000 0.838 198 S HN 0.293 nan 8.310 nan 0.000 0.462 199 R N -0.035 120.185 120.500 -0.467 0.000 2.092 199 R HA -0.018 4.322 4.340 0.001 0.000 0.231 199 R C 2.297 178.307 176.300 -0.484 0.000 1.119 199 R CA 1.447 57.265 56.100 -0.470 0.000 0.970 199 R CB -0.370 29.553 30.300 -0.628 0.000 0.864 199 R HN 0.483 nan 8.270 nan 0.000 0.440 200 L N 0.085 120.886 121.223 -0.703 0.000 2.072 200 L HA -0.036 4.305 4.340 0.001 0.000 0.205 200 L C 1.674 178.070 176.870 -0.790 0.000 1.079 200 L CA 1.990 56.347 54.840 -0.805 0.000 0.752 200 L CB -0.967 40.480 42.059 -1.019 0.000 0.906 200 L HN -0.026 nan 8.230 nan 0.000 0.436 201 T N -0.159 113.898 114.554 -0.829 0.000 2.788 201 T HA -0.173 4.178 4.350 0.001 0.000 0.268 201 T C 1.538 175.998 174.700 -0.401 0.000 1.044 201 T CA 1.540 63.235 62.100 -0.675 0.000 1.139 201 T CB -0.357 68.106 68.868 -0.675 0.000 0.867 201 T HN 0.487 nan 8.240 nan 0.000 0.454 202 D N 0.855 121.057 120.400 -0.331 0.000 2.144 202 D HA -0.110 4.530 4.640 0.001 0.000 0.199 202 D C 2.289 178.483 176.300 -0.177 0.000 0.984 202 D CA 0.970 54.838 54.000 -0.220 0.000 0.834 202 D CB -0.096 40.598 40.800 -0.177 0.000 0.955 202 D HN 0.139 nan 8.370 nan 0.000 0.465 203 R N 0.466 120.881 120.500 -0.141 0.000 2.066 203 R HA -0.050 4.290 4.340 0.001 0.000 0.232 203 R C 2.248 178.534 176.300 -0.023 0.000 1.131 203 R CA 1.833 57.938 56.100 0.008 0.000 0.955 203 R CB -0.631 29.768 30.300 0.166 0.000 0.851 203 R HN 0.043 nan 8.270 nan 0.000 0.432 204 R N 0.071 120.503 120.500 -0.115 0.000 2.070 204 R HA -0.033 4.308 4.340 0.001 0.000 0.233 204 R C 1.845 178.068 176.300 -0.129 0.000 1.137 204 R CA 1.747 57.778 56.100 -0.116 0.000 0.945 204 R CB -0.960 29.212 30.300 -0.213 0.000 0.845 204 R HN 0.323 nan 8.270 nan 0.000 0.430 205 L N 0.437 121.558 121.223 -0.169 0.000 2.217 205 L HA 0.079 4.419 4.340 0.001 0.000 0.211 205 L C 2.138 178.911 176.870 -0.161 0.000 1.107 205 L CA 1.571 56.322 54.840 -0.148 0.000 0.783 205 L CB -0.564 41.402 42.059 -0.155 0.000 0.919 205 L HN 0.187 nan 8.230 nan 0.000 0.442 206 S N -2.050 113.514 115.700 -0.227 0.000 2.446 206 S HA 0.057 4.527 4.470 0.001 0.000 0.225 206 S C 0.318 174.608 174.600 -0.517 0.000 1.016 206 S CA 0.423 58.399 58.200 -0.373 0.000 0.943 206 S CB -0.106 62.806 63.200 -0.480 0.000 0.786 206 S HN 0.375 nan 8.310 nan 0.000 0.508 207 H N 1.317 120.346 119.070 -0.068 0.000 2.866 207 H HA 0.301 4.858 4.556 0.000 0.000 0.287 207 H C 0.003 175.254 175.328 -0.129 0.000 1.106 207 H CA -0.564 55.442 56.048 -0.071 0.000 1.396 207 H CB 0.793 30.495 29.762 -0.099 0.000 1.469 207 H HN 0.157 nan 8.280 nan 0.000 0.500 208 E N 1.151 121.375 120.200 0.041 0.000 2.463 208 E HA -0.144 4.206 4.350 0.001 0.000 0.201 208 E C 1.714 178.342 176.600 0.047 0.000 1.045 208 E CA 0.459 56.871 56.400 0.021 0.000 0.872 208 E CB -0.001 29.719 29.700 0.033 0.000 0.797 208 E HN 0.732 nan 8.360 nan 0.000 0.538 209 H N -0.801 118.322 119.070 0.089 0.000 2.502 209 H HA 0.082 4.638 4.556 0.000 0.000 0.283 209 H C 0.592 175.967 175.328 0.078 0.000 1.015 209 H CA 0.108 56.198 56.048 0.071 0.000 1.298 209 H CB 0.030 29.825 29.762 0.054 0.000 1.411 209 H HN -0.178 nan 8.280 nan 0.000 0.556 210 V N 3.126 122.754 119.914 -0.477 0.000 2.740 210 V HA 0.119 4.239 4.120 0.001 0.000 0.303 210 V C 0.490 176.578 176.094 -0.010 0.000 1.054 210 V CA -0.094 62.047 62.300 -0.265 0.000 1.106 210 V CB 1.038 32.717 31.823 -0.240 0.000 0.957 210 V HN 0.375 nan 8.190 nan 0.000 0.486 211 R N 2.852 123.394 120.500 0.071 0.000 2.621 211 R HA 0.655 4.995 4.340 0.001 0.000 0.292 211 R C -1.343 175.026 176.300 0.115 0.000 0.969 211 R CA -0.663 55.508 56.100 0.119 0.000 0.887 211 R CB 2.036 32.455 30.300 0.198 0.000 1.180 211 R HN 0.476 nan 8.270 nan 0.000 0.450 212 V N 1.573 121.552 119.914 0.108 0.000 2.513 212 V HA 0.730 4.850 4.120 0.001 0.000 0.299 212 V C -0.240 175.930 176.094 0.128 0.000 1.035 212 V CA -0.843 61.521 62.300 0.107 0.000 0.889 212 V CB 1.802 33.650 31.823 0.041 0.000 0.988 212 V HN 0.873 nan 8.190 nan 0.000 0.440 213 A N 4.525 127.426 122.820 0.136 0.000 2.335 213 A HA 0.842 5.162 4.320 0.001 0.000 0.304 213 A C -1.077 176.551 177.584 0.074 0.000 1.118 213 A CA -0.484 51.630 52.037 0.128 0.000 0.757 213 A CB 1.569 20.688 19.000 0.197 0.000 1.188 213 A HN 0.631 nan 8.150 nan 0.000 0.460 214 V N 3.488 123.440 119.914 0.063 0.000 2.495 214 V HA 0.508 4.628 4.120 0.001 0.000 0.298 214 V C -0.641 175.452 176.094 -0.002 0.000 1.031 214 V CA -0.401 61.923 62.300 0.040 0.000 0.871 214 V CB 1.348 33.230 31.823 0.099 0.000 0.988 214 V HN 0.775 nan 8.190 nan 0.000 0.432 215 L N 3.672 124.874 121.223 -0.035 0.000 2.334 215 L HA 0.826 5.167 4.340 0.001 0.000 0.276 215 L C 0.148 177.115 176.870 0.161 0.000 1.014 215 L CA 0.410 55.303 54.840 0.088 0.000 0.815 215 L CB 2.011 44.069 42.059 -0.002 0.000 1.268 215 L HN 0.712 nan 8.230 nan 0.000 0.428 216 S N -0.604 115.104 115.700 0.013 0.000 2.588 216 S HA 0.354 4.824 4.470 0.001 0.000 0.269 216 S C 0.462 174.551 174.600 -0.852 0.000 1.157 216 S CA -0.413 57.538 58.200 -0.417 0.000 0.824 216 S CB 1.835 64.618 63.200 -0.694 0.000 1.126 216 S HN 0.655 nan 8.310 nan 0.000 0.464 217 T N 1.612 115.650 114.554 -0.860 0.000 2.942 217 T HA 0.238 4.589 4.350 0.001 0.000 0.265 217 T C -0.009 174.493 174.700 -0.330 0.000 1.062 217 T CA 1.261 62.955 62.100 -0.677 0.000 1.139 217 T CB -0.316 68.325 68.868 -0.379 0.000 0.883 217 T HN 0.516 nan 8.240 nan 0.000 0.468 218 F N -0.948 118.767 119.950 -0.392 0.000 2.664 218 F HA 0.648 5.175 4.527 0.000 0.000 0.317 218 F C -0.666 174.849 175.800 -0.475 0.000 1.108 218 F CA -1.455 56.349 58.000 -0.327 0.000 0.957 218 F CB 0.789 39.636 39.000 -0.254 0.000 1.365 218 F HN -0.487 nan 8.300 nan 0.000 0.475 219 T N 1.823 116.334 114.554 -0.072 0.000 2.749 219 T HA 0.456 4.807 4.350 0.001 0.000 0.295 219 T C -0.688 173.975 174.700 -0.062 0.000 0.936 219 T CA -0.120 61.874 62.100 -0.177 0.000 1.060 219 T CB -0.185 68.657 68.868 -0.044 0.000 0.904 219 T HN 0.798 nan 8.240 nan 0.000 0.500 220 H N 0.938 119.958 119.070 -0.083 0.000 2.949 220 H HA 0.560 5.116 4.556 0.001 0.000 0.310 220 H C 0.999 176.253 175.328 -0.124 0.000 1.405 220 H CA -1.764 54.227 56.048 -0.094 0.000 1.253 220 H CB 0.428 30.095 29.762 -0.159 0.000 1.932 220 H HN 0.279 nan 8.280 nan 0.000 0.602 221 R N -0.262 120.245 120.500 0.012 0.000 2.211 221 R HA -0.099 4.241 4.340 0.001 0.000 0.240 221 R C 1.489 177.695 176.300 -0.157 0.000 1.144 221 R CA 1.826 57.879 56.100 -0.079 0.000 0.992 221 R CB -0.168 30.049 30.300 -0.138 0.000 0.869 221 R HN 0.548 nan 8.270 nan 0.000 0.462 222 S N -0.124 115.346 115.700 -0.383 0.000 2.377 222 S HA -0.077 4.393 4.470 0.001 0.000 0.223 222 S C 1.563 176.159 174.600 -0.007 0.000 1.030 222 S CA 1.167 59.054 58.200 -0.521 0.000 0.970 222 S CB 0.148 62.754 63.200 -0.989 0.000 0.830 222 S HN 0.436 nan 8.310 nan 0.000 0.473 223 S N 1.210 117.014 115.700 0.172 0.000 2.906 223 S HA 0.105 4.575 4.470 0.001 0.000 0.234 223 S C 0.372 175.041 174.600 0.115 0.000 0.973 223 S CA -0.014 58.265 58.200 0.131 0.000 1.036 223 S CB -0.232 62.998 63.200 0.051 0.000 0.798 223 S HN 0.179 nan 8.310 nan 0.000 0.498 224 D N 0.672 121.153 120.400 0.136 0.000 2.350 224 D HA 0.158 4.798 4.640 0.001 0.000 0.213 224 D C 1.060 177.439 176.300 0.131 0.000 1.031 224 D CA 0.189 54.257 54.000 0.114 0.000 0.861 224 D CB 0.432 41.291 40.800 0.098 0.000 0.926 224 D HN 0.480 nan 8.370 nan 0.000 0.520 225 L N 0.057 121.403 121.223 0.204 0.000 2.766 225 L HA 0.231 4.572 4.340 0.001 0.000 0.242 225 L C -0.057 176.868 176.870 0.091 0.000 1.136 225 L CA 0.173 55.091 54.840 0.130 0.000 0.933 225 L CB 0.453 42.584 42.059 0.119 0.000 1.241 225 L HN -0.311 nan 8.230 nan 0.000 0.522 226 S N 0.012 115.786 115.700 0.123 0.000 2.565 226 S HA 0.172 4.642 4.470 0.001 0.000 0.276 226 S C 0.372 175.016 174.600 0.073 0.000 1.326 226 S CA -0.508 57.752 58.200 0.101 0.000 1.045 226 S CB 0.952 64.217 63.200 0.108 0.000 0.918 226 S HN 0.245 nan 8.310 nan 0.000 0.505 227 D N 1.202 121.647 120.400 0.076 0.000 2.338 227 D HA 0.039 4.679 4.640 0.001 0.000 0.208 227 D C -0.078 176.269 176.300 0.078 0.000 0.997 227 D CA 0.861 54.904 54.000 0.072 0.000 0.880 227 D CB 0.348 41.196 40.800 0.079 0.000 0.980 227 D HN 0.435 nan 8.370 nan 0.000 0.509 228 T N 3.466 118.073 114.554 0.089 0.000 3.241 228 T HA 0.237 4.587 4.350 0.001 0.000 0.387 228 T C -2.665 172.077 174.700 0.069 0.000 1.451 228 T CA -1.161 60.989 62.100 0.083 0.000 1.363 228 T CB 2.220 71.152 68.868 0.105 0.000 1.074 228 T HN -0.036 nan 8.240 nan 0.000 0.598 229 P HA 0.463 nan 4.420 nan 0.000 0.284 229 P C -0.727 176.598 177.300 0.040 0.000 1.343 229 P CA -0.388 62.739 63.100 0.045 0.000 0.826 229 P CB 0.645 32.369 31.700 0.040 0.000 0.956 230 I N 5.078 125.673 120.570 0.042 0.000 2.406 230 I HA 0.391 4.561 4.170 0.001 0.000 0.290 230 I C 0.390 176.559 176.117 0.087 0.000 0.999 230 I CA -0.814 60.531 61.300 0.074 0.000 1.124 230 I CB 1.865 39.918 38.000 0.089 0.000 1.289 230 I HN 0.158 nan 8.210 nan 0.000 0.441 231 I N 7.369 127.978 120.570 0.064 0.000 2.390 231 I HA 0.306 4.476 4.170 0.001 0.000 0.283 231 I C -0.246 175.900 176.117 0.050 0.000 1.016 231 I CA -0.504 60.779 61.300 -0.028 0.000 1.151 231 I CB 0.532 38.488 38.000 -0.074 0.000 1.293 231 I HN 0.417 nan 8.210 nan 0.000 0.458 232 F N 4.443 124.385 119.950 -0.014 0.000 2.461 232 F HA 0.700 5.227 4.527 0.000 0.000 0.337 232 F C 0.308 176.104 175.800 -0.006 0.000 1.079 232 F CA -1.289 56.719 58.000 0.013 0.000 1.032 232 F CB 0.418 39.447 39.000 0.048 0.000 1.327 232 F HN 0.179 nan 8.300 nan 0.000 0.491 233 R N 0.902 121.548 120.500 0.244 0.000 2.357 233 R HA 0.387 4.727 4.340 0.001 0.000 0.296 233 R C -2.651 173.667 176.300 0.031 0.000 1.052 233 R CA -1.840 54.304 56.100 0.074 0.000 0.988 233 R CB 0.638 31.038 30.300 0.168 0.000 1.025 233 R HN 0.345 nan 8.270 nan 0.000 0.469 234 P HA -0.068 nan 4.420 nan 0.000 0.257 234 P C 0.217 177.434 177.300 -0.138 0.000 1.162 234 P CA 1.497 64.290 63.100 -0.512 0.000 0.762 234 P CB 0.596 31.405 31.700 -1.486 0.000 0.753 235 G N 2.818 111.670 108.800 0.087 0.000 2.253 235 G HA2 -0.319 3.641 3.960 0.001 0.000 0.251 235 G HA3 -0.319 3.641 3.960 0.001 0.000 0.251 235 G C 1.010 176.206 174.900 0.494 0.000 0.998 235 G CA 0.577 45.804 45.100 0.211 0.000 0.621 235 G HN 0.602 nan 8.290 nan 0.000 0.524 236 T N 0.064 114.872 114.554 0.425 0.000 3.160 236 T HA 0.170 4.520 4.350 0.001 0.000 0.257 236 T C 1.811 176.601 174.700 0.150 0.000 1.147 236 T CA 1.409 63.673 62.100 0.273 0.000 1.064 236 T CB -0.224 68.739 68.868 0.158 0.000 0.949 236 T HN 0.517 nan 8.240 nan 0.000 0.526 237 D N 1.971 122.461 120.400 0.150 0.000 2.221 237 D HA -0.180 4.461 4.640 0.001 0.000 0.204 237 D C 2.070 178.385 176.300 0.026 0.000 0.982 237 D CA 0.855 54.810 54.000 -0.074 0.000 0.857 237 D CB -0.478 40.379 40.800 0.095 0.000 0.934 237 D HN 0.384 nan 8.370 nan 0.000 0.475 238 R N 0.491 121.056 120.500 0.109 0.000 2.096 238 R HA -0.073 4.267 4.340 0.001 0.000 0.240 238 R C 2.520 178.750 176.300 -0.117 0.000 1.139 238 R CA 1.868 57.977 56.100 0.016 0.000 0.952 238 R CB -0.487 29.973 30.300 0.266 0.000 0.854 238 R HN 0.315 nan 8.270 nan 0.000 0.436 239 A N 1.208 123.965 122.820 -0.105 0.000 1.877 239 A HA -0.154 4.166 4.320 0.001 0.000 0.216 239 A C 2.168 179.659 177.584 -0.155 0.000 1.186 239 A CA 1.368 53.224 52.037 -0.300 0.000 0.620 239 A CB -0.593 18.267 19.000 -0.233 0.000 0.822 239 A HN 0.212 nan 8.150 nan 0.000 0.443 240 I N -0.420 120.136 120.570 -0.022 0.000 2.151 240 I HA -0.318 3.852 4.170 0.001 0.000 0.243 240 I C 2.464 178.660 176.117 0.131 0.000 1.080 240 I CA 1.465 62.842 61.300 0.128 0.000 1.339 240 I CB -0.676 37.430 38.000 0.176 0.000 1.039 240 I HN 0.289 nan 8.210 nan 0.000 0.409 241 L N 0.643 121.852 121.223 -0.023 0.000 2.013 241 L HA -0.276 4.065 4.340 0.001 0.000 0.212 241 L C 2.217 178.985 176.870 -0.169 0.000 1.073 241 L CA 2.084 56.803 54.840 -0.202 0.000 0.753 241 L CB -0.775 41.025 42.059 -0.432 0.000 0.890 241 L HN 0.323 nan 8.230 nan 0.000 0.432 242 N N -1.652 116.924 118.700 -0.207 0.000 2.106 242 N HA -0.260 4.480 4.740 0.001 0.000 0.188 242 N C 1.830 177.362 175.510 0.037 0.000 1.029 242 N CA 1.158 54.106 53.050 -0.170 0.000 0.848 242 N CB -0.251 37.946 38.487 -0.483 0.000 1.007 242 N HN 0.267 nan 8.380 nan 0.000 0.423 243 Y N 2.090 122.389 120.300 -0.001 0.000 2.069 243 Y HA -0.245 4.305 4.550 0.000 0.000 0.278 243 Y C 1.801 177.798 175.900 0.161 0.000 1.175 243 Y CA 1.441 59.613 58.100 0.120 0.000 1.134 243 Y CB -0.677 37.840 38.460 0.096 0.000 0.965 243 Y HN 0.055 nan 8.280 nan 0.000 0.498 244 I N 0.555 120.930 120.570 -0.325 0.000 2.264 244 I HA -0.343 3.827 4.170 0.001 0.000 0.248 244 I C 2.754 178.744 176.117 -0.211 0.000 1.111 244 I CA 1.298 62.338 61.300 -0.434 0.000 1.382 244 I CB -0.900 36.941 38.000 -0.265 0.000 1.060 244 I HN 0.378 nan 8.210 nan 0.000 0.418 245 A N 0.392 123.157 122.820 -0.092 0.000 1.858 245 A HA -0.320 4.000 4.320 0.001 0.000 0.216 245 A C 2.233 179.862 177.584 0.075 0.000 1.190 245 A CA 2.266 54.323 52.037 0.033 0.000 0.617 245 A CB -1.089 17.977 19.000 0.110 0.000 0.827 245 A HN 0.549 nan 8.150 nan 0.000 0.443 246 H N -1.358 117.708 119.070 -0.007 0.000 2.352 246 H HA -0.248 4.308 4.556 0.000 0.000 0.299 246 H C 1.939 177.280 175.328 0.022 0.000 1.097 246 H CA 2.458 58.525 56.048 0.031 0.000 1.311 246 H CB -0.442 29.386 29.762 0.109 0.000 1.377 246 H HN 0.739 nan 8.280 nan 0.000 0.504 247 H N -0.682 118.279 119.070 -0.183 0.000 2.387 247 H HA -0.048 4.508 4.556 0.000 0.000 0.299 247 H C 2.213 177.434 175.328 -0.178 0.000 1.090 247 H CA 1.795 57.701 56.048 -0.237 0.000 1.332 247 H CB -0.125 29.371 29.762 -0.443 0.000 1.386 247 H HN 0.415 nan 8.280 nan 0.000 0.516 248 I N 0.136 120.706 120.570 0.000 0.000 2.179 248 I HA -0.262 3.908 4.170 0.001 0.000 0.242 248 I C 1.915 178.015 176.117 -0.027 0.000 1.088 248 I CA 0.796 62.100 61.300 0.007 0.000 1.357 248 I CB -0.138 37.873 38.000 0.019 0.000 1.051 248 I HN 0.362 nan 8.210 nan 0.000 0.409 249 I N 0.228 120.787 120.570 -0.018 0.000 2.163 249 I HA -0.237 3.933 4.170 0.001 0.000 0.240 249 I C 2.649 178.703 176.117 -0.104 0.000 1.081 249 I CA 1.505 62.814 61.300 0.015 0.000 1.353 249 I CB -1.099 36.948 38.000 0.079 0.000 1.054 249 I HN 0.191 nan 8.210 nan 0.000 0.407 250 S N 0.753 116.283 115.700 -0.284 0.000 2.383 250 S HA -0.144 4.326 4.470 0.001 0.000 0.229 250 S C 1.717 176.186 174.600 -0.218 0.000 1.030 250 S CA 1.870 59.885 58.200 -0.309 0.000 1.002 250 S CB -0.458 62.457 63.200 -0.476 0.000 0.829 250 S HN 0.537 nan 8.310 nan 0.000 0.467 251 T N 0.593 114.995 114.554 -0.253 0.000 3.169 251 T HA 0.375 4.725 4.350 0.001 0.000 0.250 251 T C 1.197 175.844 174.700 -0.089 0.000 1.111 251 T CA 0.424 62.411 62.100 -0.188 0.000 1.010 251 T CB -0.155 68.559 68.868 -0.256 0.000 0.984 251 T HN 0.544 nan 8.240 nan 0.000 0.537 252 G N 2.615 111.378 108.800 -0.062 0.000 2.338 252 G HA2 -0.310 3.650 3.960 0.001 0.000 0.296 252 G HA3 -0.310 3.650 3.960 0.001 0.000 0.296 252 G C 0.356 175.262 174.900 0.009 0.000 1.040 252 G CA -0.235 44.861 45.100 -0.007 0.000 1.004 252 G HN 0.545 nan 8.290 nan 0.000 0.509 253 R N -0.724 119.781 120.500 0.009 0.000 2.748 253 R HA 0.321 4.662 4.340 0.001 0.000 0.395 253 R C 0.651 176.970 176.300 0.031 0.000 1.128 253 R CA -0.412 55.697 56.100 0.016 0.000 1.042 253 R CB 0.924 31.228 30.300 0.006 0.000 1.392 253 R HN 0.286 nan 8.270 nan 0.000 0.582 254 V N 1.056 121.002 119.914 0.053 0.000 2.834 254 V HA 0.057 4.177 4.120 0.001 0.000 0.301 254 V C 0.748 176.876 176.094 0.056 0.000 1.066 254 V CA -0.604 61.730 62.300 0.057 0.000 1.052 254 V CB 1.369 33.237 31.823 0.076 0.000 1.021 254 V HN 0.325 nan 8.190 nan 0.000 0.480 255 N N 2.545 121.283 118.700 0.064 0.000 2.767 255 N HA 0.190 4.931 4.740 0.001 0.000 0.238 255 N C 1.119 176.710 175.510 0.135 0.000 1.083 255 N CA -0.212 52.895 53.050 0.095 0.000 0.964 255 N CB 0.429 38.969 38.487 0.088 0.000 1.252 255 N HN 0.542 nan 8.380 nan 0.000 0.512 256 R N 1.119 121.676 120.500 0.095 0.000 2.097 256 R HA -0.142 4.199 4.340 0.001 0.000 0.236 256 R C 1.004 177.358 176.300 0.090 0.000 1.135 256 R CA 1.530 57.677 56.100 0.078 0.000 0.934 256 R CB 0.007 30.351 30.300 0.074 0.000 0.846 256 R HN 0.479 nan 8.270 nan 0.000 0.431 257 D N -0.307 120.154 120.400 0.101 0.000 2.203 257 D HA -0.206 4.434 4.640 0.001 0.000 0.199 257 D C 1.557 177.926 176.300 0.115 0.000 0.997 257 D CA 1.198 55.250 54.000 0.087 0.000 0.863 257 D CB -0.104 40.754 40.800 0.097 0.000 0.928 257 D HN 0.142 nan 8.370 nan 0.000 0.458 258 F N 0.682 120.676 119.950 0.074 0.000 2.147 258 F HA -0.108 4.420 4.527 0.000 0.000 0.291 258 F C 2.265 178.133 175.800 0.113 0.000 1.093 258 F CA 0.666 58.774 58.000 0.180 0.000 1.263 258 F CB -0.205 38.906 39.000 0.185 0.000 1.036 258 F HN -0.258 nan 8.300 nan 0.000 0.481 259 V N 0.499 120.550 119.914 0.228 0.000 2.343 259 V HA -0.279 3.841 4.120 0.001 0.000 0.247 259 V C 1.971 178.040 176.094 -0.041 0.000 1.051 259 V CA 2.179 64.513 62.300 0.058 0.000 1.036 259 V CB -0.653 31.171 31.823 0.002 0.000 0.654 259 V HN 0.307 nan 8.190 nan 0.000 0.451 260 D N -0.403 119.978 120.400 -0.032 0.000 2.117 260 D HA -0.135 4.505 4.640 0.001 0.000 0.198 260 D C 2.364 178.587 176.300 -0.129 0.000 0.982 260 D CA 1.206 55.180 54.000 -0.044 0.000 0.828 260 D CB -0.173 40.615 40.800 -0.020 0.000 0.967 260 D HN 0.286 nan 8.370 nan 0.000 0.464 261 R N -0.449 119.901 120.500 -0.251 0.000 2.161 261 R HA -0.015 4.325 4.340 0.001 0.000 0.213 261 R C 0.774 176.677 176.300 -0.662 0.000 1.055 261 R CA 0.738 56.553 56.100 -0.474 0.000 0.996 261 R CB 0.284 30.205 30.300 -0.631 0.000 0.901 261 R HN 0.277 nan 8.270 nan 0.000 0.456 262 H N -1.440 117.430 119.070 -0.334 0.000 2.662 262 H HA 0.287 4.843 4.556 0.000 0.000 0.268 262 H C -0.452 174.729 175.328 -0.245 0.000 1.152 262 H CA -0.032 55.801 56.048 -0.358 0.000 1.072 262 H CB 1.264 30.577 29.762 -0.747 0.000 1.660 262 H HN -0.050 nan 8.280 nan 0.000 0.584 263 T N 0.958 115.421 114.554 -0.152 0.000 2.896 263 T HA 0.376 4.727 4.350 0.001 0.000 0.297 263 T C -0.180 174.398 174.700 -0.202 0.000 1.108 263 T CA -0.733 61.232 62.100 -0.226 0.000 1.004 263 T CB 2.513 71.191 68.868 -0.318 0.000 1.159 263 T HN 0.147 nan 8.240 nan 0.000 0.499 264 N N 0.031 118.542 118.700 -0.315 0.000 2.509 264 N HA 0.732 5.473 4.740 0.001 0.000 0.280 264 N C -1.471 173.827 175.510 -0.353 0.000 1.306 264 N CA -0.544 52.416 53.050 -0.150 0.000 0.782 264 N CB 1.476 39.898 38.487 -0.110 0.000 1.493 264 N HN 0.369 nan 8.380 nan 0.000 0.498 265 F N 0.170 120.037 119.950 -0.139 0.000 2.679 265 F HA 0.891 5.419 4.527 0.001 0.000 0.341 265 F C 0.210 175.935 175.800 -0.125 0.000 1.095 265 F CA -0.531 57.368 58.000 -0.169 0.000 1.004 265 F CB 1.378 40.309 39.000 -0.114 0.000 1.388 265 F HN 0.547 nan 8.300 nan 0.000 0.505 266 A N 0.280 123.155 122.820 0.091 0.000 2.522 266 A HA 0.701 5.021 4.320 0.001 0.000 0.291 266 A C -2.393 175.189 177.584 -0.002 0.000 1.039 266 A CA -0.716 51.324 52.037 0.006 0.000 0.643 266 A CB 0.955 19.904 19.000 -0.086 0.000 1.310 266 A HN 0.626 nan 8.150 nan 0.000 0.436 267 L N 0.835 122.034 121.223 -0.040 0.000 2.386 267 L HA 0.691 5.031 4.340 0.001 0.000 0.271 267 L C 0.706 177.495 176.870 -0.135 0.000 0.993 267 L CA -0.795 54.002 54.840 -0.072 0.000 0.819 267 L CB 2.190 44.227 42.059 -0.036 0.000 1.294 267 L HN 1.038 nan 8.230 nan 0.000 0.414 268 G N 1.152 109.811 108.800 -0.235 0.000 2.425 268 G HA2 0.567 4.527 3.960 0.001 0.000 0.302 268 G HA3 0.567 4.527 3.960 0.001 0.000 0.302 268 G C -0.178 174.648 174.900 -0.125 0.000 1.159 268 G CA -0.409 44.553 45.100 -0.229 0.000 0.865 268 G HN 0.742 nan 8.290 nan 0.000 0.515 269 A N 0.731 123.553 122.820 0.004 0.000 2.520 269 A HA 0.425 4.746 4.320 0.001 0.000 0.245 269 A C 1.589 179.258 177.584 0.141 0.000 1.072 269 A CA 0.678 52.751 52.037 0.059 0.000 0.761 269 A CB 0.139 19.187 19.000 0.081 0.000 1.004 269 A HN 1.189 nan 8.150 nan 0.000 0.499 270 T N -1.148 113.465 114.554 0.097 0.000 3.031 270 T HA 0.026 4.377 4.350 0.001 0.000 0.254 270 T C 0.708 175.514 174.700 0.176 0.000 1.060 270 T CA 1.194 63.390 62.100 0.160 0.000 1.135 270 T CB -0.102 68.803 68.868 0.063 0.000 0.896 270 T HN 0.543 nan 8.240 nan 0.000 0.472 271 D N 0.640 121.095 120.400 0.091 0.000 2.722 271 D HA 0.324 4.964 4.640 0.001 0.000 0.239 271 D C 0.112 176.404 176.300 -0.014 0.000 1.249 271 D CA -0.689 53.337 54.000 0.043 0.000 0.830 271 D CB -0.991 39.833 40.800 0.040 0.000 1.025 271 D HN 0.438 nan 8.370 nan 0.000 0.486 272 I N 0.167 120.723 120.570 -0.024 0.000 3.141 272 I HA 0.097 4.268 4.170 0.001 0.000 0.295 272 I C 1.151 177.105 176.117 -0.272 0.000 1.252 272 I CA 0.747 61.975 61.300 -0.120 0.000 1.406 272 I CB 0.655 38.564 38.000 -0.151 0.000 1.333 272 I HN 0.247 nan 8.210 nan 0.000 0.594 273 G N 4.155 112.800 108.800 -0.258 0.000 2.883 273 G HA2 0.394 4.355 3.960 0.001 0.000 0.285 273 G HA3 0.394 4.355 3.960 0.001 0.000 0.285 273 G C -0.948 173.823 174.900 -0.216 0.000 1.526 273 G CA -0.503 44.423 45.100 -0.290 0.000 1.062 273 G HN 0.586 nan 8.290 nan 0.000 0.550 274 Y N 0.479 120.720 120.300 -0.097 0.000 3.093 274 Y HA -0.234 4.316 4.550 0.000 0.000 0.232 274 Y C 1.912 177.748 175.900 -0.107 0.000 0.963 274 Y CA 0.626 58.658 58.100 -0.112 0.000 0.735 274 Y CB -0.949 37.444 38.460 -0.112 0.000 1.008 274 Y HN 0.795 nan 8.280 nan 0.000 0.396 275 G N 2.405 111.195 108.800 -0.017 0.000 2.082 275 G HA2 -0.072 3.888 3.960 0.001 0.000 0.269 275 G HA3 -0.072 3.888 3.960 0.001 0.000 0.269 275 G C 0.347 175.254 174.900 0.012 0.000 0.578 275 G CA 0.300 45.396 45.100 -0.008 0.000 1.011 275 G HN 0.606 nan 8.290 nan 0.000 0.395 276 L N -0.260 120.968 121.223 0.008 0.000 2.664 276 L HA 0.618 4.958 4.340 0.001 0.000 0.253 276 L C 1.265 178.162 176.870 0.044 0.000 1.293 276 L CA -1.335 53.495 54.840 -0.016 0.000 1.280 276 L CB 0.717 42.691 42.059 -0.141 0.000 1.993 276 L HN 0.133 nan 8.230 nan 0.000 0.577 277 R N 0.983 121.520 120.500 0.060 0.000 2.410 277 R HA 0.296 4.636 4.340 0.001 0.000 0.288 277 R C -2.381 173.977 176.300 0.098 0.000 1.051 277 R CA -1.613 54.536 56.100 0.082 0.000 1.021 277 R CB 0.789 31.141 30.300 0.086 0.000 1.032 277 R HN 0.250 nan 8.270 nan 0.000 0.481 278 P HA 0.075 nan 4.420 nan 0.000 0.271 278 P C -0.644 176.701 177.300 0.075 0.000 1.220 278 P CA 0.280 63.425 63.100 0.075 0.000 0.768 278 P CB 1.233 32.967 31.700 0.057 0.000 0.848 279 E N -1.212 119.035 120.200 0.079 0.000 3.376 279 E HA -0.111 4.239 4.350 0.001 0.000 0.142 279 E C 0.387 177.024 176.600 0.062 0.000 0.601 279 E CA -0.030 56.404 56.400 0.057 0.000 2.970 279 E CB -1.275 28.456 29.700 0.053 0.000 1.416 279 E HN 0.622 nan 8.360 nan 0.000 0.768 280 H N 2.823 121.907 119.070 0.023 0.000 2.848 280 H HA 0.099 4.655 4.556 0.000 0.000 0.341 280 H C 1.021 176.364 175.328 0.024 0.000 1.060 280 H CA 1.160 57.220 56.048 0.019 0.000 1.444 280 H CB 0.934 30.709 29.762 0.022 0.000 1.446 280 H HN 0.267 nan 8.280 nan 0.000 0.583 281 Q N 3.951 123.658 119.800 -0.156 0.000 2.014 281 Q HA -0.196 4.144 4.340 0.001 0.000 0.207 281 Q C 2.491 178.575 176.000 0.139 0.000 0.993 281 Q CA 1.717 57.513 55.803 -0.011 0.000 0.850 281 Q CB -0.022 28.661 28.738 -0.091 0.000 0.916 281 Q HN 0.717 nan 8.270 nan 0.000 0.417 282 L N 0.776 122.173 121.223 0.290 0.000 2.151 282 L HA -0.293 4.047 4.340 0.001 0.000 0.215 282 L C 2.570 179.577 176.870 0.228 0.000 1.084 282 L CA 1.371 56.373 54.840 0.270 0.000 0.764 282 L CB -0.506 41.724 42.059 0.286 0.000 0.891 282 L HN 0.327 nan 8.230 nan 0.000 0.435 283 Q N -0.575 119.345 119.800 0.200 0.000 2.123 283 Q HA -0.055 4.285 4.340 0.001 0.000 0.196 283 Q C 2.433 178.488 176.000 0.091 0.000 0.958 283 Q CA 0.930 56.809 55.803 0.127 0.000 0.841 283 Q CB -0.007 28.800 28.738 0.115 0.000 0.915 283 Q HN 0.551 nan 8.270 nan 0.000 0.455 284 L N 0.493 121.768 121.223 0.087 0.000 2.012 284 L HA -0.173 4.167 4.340 0.001 0.000 0.210 284 L C 2.537 179.441 176.870 0.057 0.000 1.073 284 L CA 1.269 56.144 54.840 0.059 0.000 0.748 284 L CB -0.788 41.299 42.059 0.046 0.000 0.891 284 L HN 0.148 nan 8.230 nan 0.000 0.431 285 A N 0.280 123.141 122.820 0.068 0.000 2.019 285 A HA -0.015 4.306 4.320 0.001 0.000 0.219 285 A C 1.925 179.548 177.584 0.066 0.000 1.164 285 A CA 1.110 53.187 52.037 0.066 0.000 0.644 285 A CB -0.627 18.421 19.000 0.079 0.000 0.805 285 A HN 0.366 nan 8.150 nan 0.000 0.449 286 A N 0.806 123.668 122.820 0.070 0.000 2.863 286 A HA 0.241 4.562 4.320 0.001 0.000 0.246 286 A C 0.292 177.895 177.584 0.032 0.000 1.772 286 A CA -0.190 51.875 52.037 0.047 0.000 1.456 286 A CB -1.128 17.892 19.000 0.034 0.000 0.930 286 A HN 0.495 nan 8.150 nan 0.000 0.630 287 K N 0.381 120.802 120.400 0.035 0.000 2.405 287 K HA 0.207 4.527 4.320 0.001 0.000 0.273 287 K C 1.156 177.772 176.600 0.026 0.000 1.116 287 K CA 0.983 57.288 56.287 0.030 0.000 1.155 287 K CB -0.143 32.375 32.500 0.029 0.000 0.858 287 K HN 0.927 nan 8.250 nan 0.000 0.477 288 G N 1.658 110.472 108.800 0.024 0.000 2.168 288 G HA2 -0.240 3.720 3.960 0.001 0.000 0.197 288 G HA3 -0.240 3.720 3.960 0.001 0.000 0.197 288 G C 0.740 175.650 174.900 0.017 0.000 0.997 288 G CA -0.068 45.045 45.100 0.023 0.000 0.658 288 G HN 0.648 nan 8.290 nan 0.000 0.513 289 A N 0.126 122.952 122.820 0.011 0.000 2.119 289 A HA 0.621 4.942 4.320 0.001 0.000 0.216 289 A C 2.575 180.167 177.584 0.013 0.000 1.152 289 A CA 1.858 53.895 52.037 0.000 0.000 0.708 289 A CB -0.398 18.604 19.000 0.003 0.000 0.805 289 A HN 1.674 nan 8.150 nan 0.000 0.460 290 A N -0.533 122.300 122.820 0.021 0.000 2.015 290 A HA -0.075 4.246 4.320 0.001 0.000 0.219 290 A C 1.809 179.408 177.584 0.026 0.000 1.163 290 A CA 1.723 53.776 52.037 0.026 0.000 0.646 290 A CB -0.191 18.825 19.000 0.027 0.000 0.806 290 A HN 0.491 nan 8.150 nan 0.000 0.448 291 D N -1.304 119.110 120.400 0.024 0.000 2.685 291 D HA 0.402 5.043 4.640 0.001 0.000 0.257 291 D C 0.541 176.856 176.300 0.025 0.000 1.472 291 D CA 1.391 55.407 54.000 0.026 0.000 1.125 291 D CB 0.158 40.974 40.800 0.026 0.000 0.969 291 D HN 0.855 nan 8.370 nan 0.000 0.281 292 A N -1.186 121.655 122.820 0.034 0.000 2.109 292 A HA 0.298 4.619 4.320 0.001 0.000 0.556 292 A C 0.917 178.532 177.584 0.053 0.000 0.434 292 A CA 1.444 53.507 52.037 0.043 0.000 0.334 292 A CB -1.802 17.199 19.000 0.001 0.000 3.228 292 A HN 1.380 nan 8.150 nan 0.000 0.445 293 G N -0.166 108.689 108.800 0.091 0.000 2.134 293 G HA2 0.364 4.325 3.960 0.001 0.000 0.209 293 G HA3 0.364 4.325 3.960 0.001 0.000 0.209 293 G C 0.811 175.737 174.900 0.044 0.000 0.993 293 G CA 0.969 46.117 45.100 0.079 0.000 0.669 293 G HN 2.730 nan 8.290 nan 0.000 0.519 294 A N 0.153 122.995 122.820 0.037 0.000 2.363 294 A HA 0.795 5.116 4.320 0.001 0.000 0.270 294 A C 1.263 178.842 177.584 -0.008 0.000 1.121 294 A CA 0.387 52.433 52.037 0.016 0.000 0.800 294 A CB 0.362 19.372 19.000 0.017 0.000 1.052 294 A HN 0.230 nan 8.150 nan 0.000 0.493 295 M N 1.139 120.728 119.600 -0.018 0.000 2.473 295 M HA 0.131 4.611 4.480 0.001 0.000 0.230 295 M C 0.980 177.257 176.300 -0.038 0.000 1.226 295 M CA 2.138 57.411 55.300 -0.044 0.000 1.235 295 M CB -1.667 30.907 32.600 -0.044 0.000 1.162 295 M HN 1.370 nan 8.290 nan 0.000 0.486 296 T N 0.060 114.601 114.554 -0.022 0.000 1.309 296 T HA -0.057 4.293 4.350 0.001 0.000 0.685 296 T C -2.728 171.966 174.700 -0.010 0.000 0.967 296 T CA -0.582 61.510 62.100 -0.013 0.000 3.630 296 T CB -1.859 67.003 68.868 -0.011 0.000 2.070 296 T HN 0.060 nan 8.240 nan 0.000 0.393 297 P HA 0.398 nan 4.420 nan 0.000 0.272 297 P C 0.873 178.191 177.300 0.030 0.000 1.243 297 P CA 0.183 63.292 63.100 0.015 0.000 0.803 297 P CB 0.494 32.203 31.700 0.015 0.000 0.974 298 T N -2.729 111.861 114.554 0.060 0.000 2.630 298 T HA 0.347 4.698 4.350 0.001 0.000 0.225 298 T C -1.269 173.452 174.700 0.036 0.000 0.897 298 T CA -0.388 61.742 62.100 0.051 0.000 1.316 298 T CB 0.290 69.200 68.868 0.070 0.000 1.743 298 T HN 0.357 nan 8.240 nan 0.000 0.436 299 D N -0.750 119.646 120.400 -0.006 0.000 2.753 299 D HA 0.373 5.013 4.640 0.001 0.000 0.224 299 D C -0.220 175.904 176.300 -0.294 0.000 1.213 299 D CA -0.555 53.388 54.000 -0.094 0.000 0.833 299 D CB 2.398 43.153 40.800 -0.074 0.000 1.607 299 D HN 0.291 nan 8.370 nan 0.000 0.463 300 F N 2.876 122.421 119.950 -0.675 0.000 2.171 300 F HA -0.128 4.399 4.527 0.001 0.000 0.300 300 F C 1.814 177.353 175.800 -0.436 0.000 1.090 300 F CA 1.649 59.006 58.000 -1.072 0.000 1.293 300 F CB -0.078 38.520 39.000 -0.671 0.000 1.013 300 F HN 0.352 nan 8.300 nan 0.000 0.486 301 E N -0.034 119.939 120.200 -0.378 0.000 2.077 301 E HA -0.169 4.181 4.350 0.001 0.000 0.193 301 E C 2.162 178.646 176.600 -0.194 0.000 0.989 301 E CA 1.927 58.096 56.400 -0.385 0.000 0.800 301 E CB -1.278 28.260 29.700 -0.271 0.000 0.746 301 E HN 0.395 nan 8.360 nan 0.000 0.452 302 T N 1.600 116.091 114.554 -0.104 0.000 2.777 302 T HA -0.115 4.235 4.350 0.001 0.000 0.266 302 T C 1.601 176.312 174.700 0.018 0.000 1.040 302 T CA 1.125 63.201 62.100 -0.040 0.000 1.141 302 T CB -0.488 68.371 68.868 -0.014 0.000 0.868 302 T HN 0.145 nan 8.240 nan 0.000 0.444 303 F N 2.753 122.674 119.950 -0.047 0.000 2.026 303 F HA -0.088 4.439 4.527 0.001 0.000 0.296 303 F C 2.571 178.415 175.800 0.072 0.000 1.133 303 F CA 1.307 59.343 58.000 0.060 0.000 1.188 303 F CB -1.035 38.089 39.000 0.205 0.000 0.968 303 F HN 0.154 nan 8.300 nan 0.000 0.476 304 A N 0.603 123.475 122.820 0.087 0.000 1.940 304 A HA -0.275 4.046 4.320 0.001 0.000 0.221 304 A C 2.388 179.912 177.584 -0.099 0.000 1.190 304 A CA 2.696 54.722 52.037 -0.019 0.000 0.647 304 A CB -1.799 17.183 19.000 -0.031 0.000 0.821 304 A HN 0.686 nan 8.150 nan 0.000 0.457 305 A N -1.140 121.618 122.820 -0.103 0.000 1.969 305 A HA 0.099 4.419 4.320 0.001 0.000 0.218 305 A C 2.087 179.606 177.584 -0.108 0.000 1.169 305 A CA 1.602 53.585 52.037 -0.089 0.000 0.635 305 A CB -0.459 18.489 19.000 -0.087 0.000 0.810 305 A HN 0.815 nan 8.150 nan 0.000 0.445 306 L N 0.086 121.222 121.223 -0.145 0.000 2.072 306 L HA -0.045 4.296 4.340 0.001 0.000 0.205 306 L C 2.113 178.906 176.870 -0.128 0.000 1.079 306 L CA 1.974 56.730 54.840 -0.140 0.000 0.752 306 L CB -0.570 41.406 42.059 -0.139 0.000 0.906 306 L HN 0.125 nan 8.230 nan 0.000 0.436 307 V N -0.494 119.296 119.914 -0.206 0.000 2.913 307 V HA -0.132 3.988 4.120 0.001 0.000 0.260 307 V C 2.410 178.524 176.094 0.034 0.000 1.098 307 V CA 1.351 63.611 62.300 -0.066 0.000 1.121 307 V CB -1.077 30.580 31.823 -0.276 0.000 0.714 307 V HN 0.499 nan 8.190 nan 0.000 0.487 308 S N 0.180 115.864 115.700 -0.027 0.000 2.402 308 S HA -0.223 4.248 4.470 0.001 0.000 0.229 308 S C 1.932 176.347 174.600 -0.309 0.000 1.021 308 S CA 1.405 59.540 58.200 -0.108 0.000 0.974 308 S CB -0.231 62.963 63.200 -0.009 0.000 0.800 308 S HN 0.780 nan 8.310 nan 0.000 0.484 309 E N 0.621 120.636 120.200 -0.309 0.000 2.160 309 E HA -0.170 4.180 4.350 0.001 0.000 0.195 309 E C -0.382 175.914 176.600 -0.506 0.000 0.991 309 E CA 0.819 56.955 56.400 -0.439 0.000 0.810 309 E CB -0.058 29.287 29.700 -0.592 0.000 0.742 309 E HN 0.598 nan 8.360 nan 0.000 0.466 310 Y N 1.829 122.031 120.300 -0.164 0.000 2.636 310 Y HA 0.153 4.704 4.550 0.000 0.000 0.334 310 Y C 0.023 175.822 175.900 -0.168 0.000 1.286 310 Y CA -0.315 57.715 58.100 -0.116 0.000 1.688 310 Y CB -0.143 38.298 38.460 -0.031 0.000 1.662 310 Y HN -0.159 nan 8.280 nan 0.000 0.465 311 T N 1.481 115.957 114.554 -0.129 0.000 2.860 311 T HA -0.005 4.345 4.350 0.001 0.000 0.299 311 T C 1.420 176.058 174.700 -0.103 0.000 1.045 311 T CA -0.698 61.322 62.100 -0.134 0.000 1.071 311 T CB 1.087 69.888 68.868 -0.111 0.000 0.985 311 T HN 0.551 nan 8.240 nan 0.000 0.537 312 L N 1.177 122.314 121.223 -0.143 0.000 2.043 312 L HA -0.101 4.239 4.340 0.001 0.000 0.212 312 L C 2.184 178.871 176.870 -0.305 0.000 1.075 312 L CA 1.932 56.422 54.840 -0.583 0.000 0.752 312 L CB -0.908 40.938 42.059 -0.354 0.000 0.891 312 L HN 0.616 nan 8.230 nan 0.000 0.432 313 E N -0.229 119.886 120.200 -0.142 0.000 2.153 313 E HA -0.224 4.126 4.350 0.001 0.000 0.194 313 E C 2.182 178.733 176.600 -0.081 0.000 0.988 313 E CA 1.429 57.775 56.400 -0.089 0.000 0.811 313 E CB -0.175 29.495 29.700 -0.050 0.000 0.746 313 E HN 0.573 nan 8.360 nan 0.000 0.466 314 K N -0.235 120.115 120.400 -0.084 0.000 2.128 314 K HA 0.094 4.414 4.320 0.001 0.000 0.202 314 K C 2.056 178.636 176.600 -0.033 0.000 1.050 314 K CA 0.818 57.074 56.287 -0.051 0.000 0.966 314 K CB -0.067 32.402 32.500 -0.052 0.000 0.759 314 K HN 0.104 nan 8.250 nan 0.000 0.454 315 A N 1.481 124.275 122.820 -0.044 0.000 1.873 315 A HA -0.203 4.117 4.320 0.001 0.000 0.218 315 A C 2.378 179.927 177.584 -0.058 0.000 1.193 315 A CA 2.231 54.249 52.037 -0.033 0.000 0.629 315 A CB -1.163 17.796 19.000 -0.068 0.000 0.826 315 A HN 0.481 nan 8.150 nan 0.000 0.447 316 A N 0.102 122.860 122.820 -0.103 0.000 1.892 316 A HA -0.244 4.076 4.320 0.001 0.000 0.218 316 A C 1.983 179.555 177.584 -0.020 0.000 1.188 316 A CA 2.441 54.442 52.037 -0.059 0.000 0.631 316 A CB -0.682 18.272 19.000 -0.076 0.000 0.822 316 A HN 0.757 nan 8.150 nan 0.000 0.447 317 E N 0.582 120.767 120.200 -0.025 0.000 2.058 317 E HA -0.195 4.155 4.350 0.001 0.000 0.194 317 E C 1.662 178.265 176.600 0.004 0.000 0.997 317 E CA 2.009 58.406 56.400 -0.006 0.000 0.801 317 E CB -0.537 29.157 29.700 -0.010 0.000 0.746 317 E HN 0.678 nan 8.360 nan 0.000 0.450 318 I N 0.672 121.231 120.570 -0.018 0.000 2.353 318 I HA -0.171 4.000 4.170 0.001 0.000 0.248 318 I C 2.302 178.421 176.117 0.003 0.000 1.119 318 I CA 1.117 62.391 61.300 -0.042 0.000 1.417 318 I CB -0.455 37.444 38.000 -0.168 0.000 1.078 318 I HN 0.121 nan 8.210 nan 0.000 0.421 319 S N 0.807 116.523 115.700 0.027 0.000 2.336 319 S HA 0.183 4.654 4.470 0.001 0.000 0.216 319 S C 1.778 176.450 174.600 0.120 0.000 1.032 319 S CA 0.755 59.018 58.200 0.106 0.000 0.973 319 S CB -0.365 62.906 63.200 0.119 0.000 0.888 319 S HN 0.609 nan 8.310 nan 0.000 0.455 320 G N 0.735 109.585 108.800 0.084 0.000 2.164 320 G HA2 -0.129 3.831 3.960 0.001 0.000 0.154 320 G HA3 -0.129 3.831 3.960 0.001 0.000 0.154 320 G C -0.058 174.885 174.900 0.072 0.000 1.014 320 G CA -0.280 44.866 45.100 0.077 0.000 0.683 320 G HN 1.025 nan 8.290 nan 0.000 0.500 321 V N -1.205 118.752 119.914 0.073 0.000 2.481 321 V HA 0.718 4.838 4.120 0.001 0.000 0.286 321 V C 0.455 176.571 176.094 0.037 0.000 1.042 321 V CA -1.600 60.740 62.300 0.067 0.000 0.928 321 V CB 1.761 33.636 31.823 0.085 0.000 0.986 321 V HN 0.198 nan 8.190 nan 0.000 0.462 322 E N 6.065 126.286 120.200 0.035 0.000 2.415 322 E HA 0.086 4.436 4.350 0.001 0.000 0.263 322 E C -1.383 175.225 176.600 0.012 0.000 0.995 322 E CA -1.297 55.117 56.400 0.023 0.000 0.915 322 E CB 1.200 30.917 29.700 0.028 0.000 0.951 322 E HN 0.580 nan 8.360 nan 0.000 0.449 323 P HA -0.259 nan 4.420 nan 0.000 0.217 323 P C 1.052 178.354 177.300 0.003 0.000 1.148 323 P CA 1.610 64.690 63.100 -0.034 0.000 0.834 323 P CB 0.200 31.872 31.700 -0.045 0.000 0.783 324 A N -0.523 122.310 122.820 0.022 0.000 1.948 324 A HA -0.181 4.139 4.320 0.001 0.000 0.220 324 A C 2.217 179.829 177.584 0.048 0.000 1.177 324 A CA 1.560 53.620 52.037 0.039 0.000 0.636 324 A CB -1.384 17.638 19.000 0.037 0.000 0.815 324 A HN 0.104 nan 8.150 nan 0.000 0.449 325 L N -1.184 120.067 121.223 0.047 0.000 2.044 325 L HA -0.051 4.289 4.340 0.001 0.000 0.205 325 L C 2.239 179.154 176.870 0.075 0.000 1.075 325 L CA 1.230 56.105 54.840 0.058 0.000 0.747 325 L CB -0.993 41.100 42.059 0.056 0.000 0.903 325 L HN 0.253 nan 8.230 nan 0.000 0.435 326 L N -0.650 120.624 121.223 0.086 0.000 2.191 326 L HA -0.165 4.176 4.340 0.001 0.000 0.212 326 L C 2.478 179.493 176.870 0.241 0.000 1.103 326 L CA 1.385 56.330 54.840 0.176 0.000 0.769 326 L CB -0.898 41.220 42.059 0.100 0.000 0.908 326 L HN 0.353 nan 8.230 nan 0.000 0.438 327 E N -0.607 119.675 120.200 0.137 0.000 2.152 327 E HA -0.169 4.181 4.350 0.001 0.000 0.192 327 E C 1.982 178.578 176.600 -0.006 0.000 0.983 327 E CA 0.650 57.100 56.400 0.084 0.000 0.818 327 E CB 0.180 29.938 29.700 0.097 0.000 0.758 327 E HN 0.591 nan 8.360 nan 0.000 0.467 328 E N 0.470 120.687 120.200 0.028 0.000 2.072 328 E HA -0.166 4.184 4.350 0.001 0.000 0.191 328 E C 2.113 178.701 176.600 -0.020 0.000 0.985 328 E CA 0.413 56.821 56.400 0.013 0.000 0.801 328 E CB 0.038 29.766 29.700 0.046 0.000 0.750 328 E HN 0.047 nan 8.360 nan 0.000 0.452 329 L N 1.100 122.335 121.223 0.019 0.000 1.937 329 L HA -0.190 4.150 4.340 0.001 0.000 0.213 329 L C 2.328 179.149 176.870 -0.082 0.000 1.077 329 L CA 2.199 57.058 54.840 0.032 0.000 0.758 329 L CB -0.995 41.138 42.059 0.123 0.000 0.888 329 L HN 0.076 nan 8.230 nan 0.000 0.433 330 A N -0.801 121.950 122.820 -0.115 0.000 1.935 330 A HA -0.373 3.947 4.320 0.001 0.000 0.224 330 A C 2.171 179.554 177.584 -0.335 0.000 1.324 330 A CA 2.478 54.304 52.037 -0.353 0.000 0.686 330 A CB -1.041 17.456 19.000 -0.837 0.000 0.837 330 A HN 0.636 nan 8.150 nan 0.000 0.481 331 E N -0.946 119.064 120.200 -0.317 0.000 2.085 331 E HA -0.168 4.182 4.350 0.001 0.000 0.194 331 E C 2.030 178.468 176.600 -0.271 0.000 0.994 331 E CA 1.113 57.400 56.400 -0.189 0.000 0.801 331 E CB -0.421 29.223 29.700 -0.094 0.000 0.743 331 E HN 0.480 nan 8.360 nan 0.000 0.453 332 L N -0.052 120.896 121.223 -0.459 0.000 1.989 332 L HA -0.187 4.154 4.340 0.001 0.000 0.211 332 L C 2.238 178.393 176.870 -1.191 0.000 1.071 332 L CA 1.593 55.887 54.840 -0.910 0.000 0.749 332 L CB -1.303 39.891 42.059 -1.442 0.000 0.890 332 L HN 0.221 nan 8.230 nan 0.000 0.431 333 Y N -1.174 118.361 120.300 -1.274 0.000 2.651 333 Y HA -0.189 4.361 4.550 0.000 0.000 0.293 333 Y C 2.031 177.672 175.900 -0.432 0.000 1.151 333 Y CA 0.667 58.219 58.100 -0.913 0.000 1.362 333 Y CB -0.082 38.031 38.460 -0.578 0.000 0.973 333 Y HN 0.241 nan 8.280 nan 0.000 0.561 334 A N -0.629 122.069 122.820 -0.203 0.000 2.026 334 A HA 0.074 4.394 4.320 0.001 0.000 0.198 334 A C 0.165 177.715 177.584 -0.057 0.000 1.390 334 A CA 0.112 52.103 52.037 -0.077 0.000 0.915 334 A CB -0.392 18.606 19.000 -0.003 0.000 0.974 334 A HN 0.379 nan 8.150 nan 0.000 0.477 335 D N 1.947 122.305 120.400 -0.071 0.000 2.479 335 D HA 0.120 4.760 4.640 0.001 0.000 0.257 335 D C -1.965 174.323 176.300 -0.021 0.000 1.230 335 D CA -0.908 53.074 54.000 -0.030 0.000 0.912 335 D CB 0.234 41.023 40.800 -0.018 0.000 1.130 335 D HN 0.230 nan 8.370 nan 0.000 0.515 336 P HA -0.082 nan 4.420 nan 0.000 0.299 336 P C -0.472 176.830 177.300 0.002 0.000 1.515 336 P CA 0.439 63.537 63.100 -0.003 0.000 0.770 336 P CB 0.358 32.058 31.700 0.001 0.000 1.614 337 D N -1.377 119.027 120.400 0.007 0.000 2.267 337 D HA 0.083 4.724 4.640 0.001 0.000 0.297 337 D C 0.663 176.982 176.300 0.032 0.000 1.087 337 D CA -0.117 53.888 54.000 0.007 0.000 0.864 337 D CB 0.185 40.981 40.800 -0.007 0.000 1.557 337 D HN -0.012 nan 8.370 nan 0.000 0.523 338 R N 1.639 122.175 120.500 0.061 0.000 2.404 338 R HA 0.132 4.472 4.340 0.001 0.000 0.315 338 R C -0.265 176.147 176.300 0.187 0.000 1.032 338 R CA 0.239 56.431 56.100 0.152 0.000 0.992 338 R CB 0.261 30.675 30.300 0.191 0.000 0.959 338 R HN -0.193 nan 8.270 nan 0.000 0.428 339 K N 4.766 125.252 120.400 0.144 0.000 2.262 339 K HA -0.002 4.318 4.320 0.001 0.000 0.288 339 K C -0.393 176.292 176.600 0.142 0.000 1.090 339 K CA -0.081 56.268 56.287 0.103 0.000 0.918 339 K CB 0.612 33.113 32.500 0.002 0.000 1.139 339 K HN 0.475 nan 8.250 nan 0.000 0.462 340 W N 4.280 125.531 121.300 -0.081 0.000 2.161 340 W HA 0.164 4.824 4.660 0.001 0.000 0.344 340 W C 0.040 176.568 176.519 0.014 0.000 1.262 340 W CA -0.396 56.873 57.345 -0.127 0.000 1.270 340 W CB 1.221 30.528 29.460 -0.255 0.000 1.126 340 W HN 0.270 nan 8.180 nan 0.000 0.598 341 M N 4.386 123.683 119.600 -0.506 0.000 2.060 341 M HA 0.113 4.593 4.480 0.001 0.000 0.231 341 M C -1.241 175.014 176.300 -0.076 0.000 0.936 341 M CA -0.041 55.127 55.300 -0.220 0.000 0.981 341 M CB 0.790 33.096 32.600 -0.491 0.000 2.216 341 M HN 0.141 nan 8.290 nan 0.000 0.399 342 S N 4.486 120.388 115.700 0.337 0.000 2.523 342 S HA 0.723 5.194 4.470 0.001 0.000 0.275 342 S C -0.329 174.618 174.600 0.579 0.000 1.281 342 S CA -0.522 58.056 58.200 0.631 0.000 1.050 342 S CB 1.177 65.046 63.200 1.114 0.000 0.937 342 S HN 0.647 nan 8.310 nan 0.000 0.492 343 L N 2.929 124.490 121.223 0.562 0.000 2.381 343 L HA 0.821 5.161 4.340 0.001 0.000 0.268 343 L C -0.990 176.169 176.870 0.481 0.000 0.997 343 L CA -0.533 54.523 54.840 0.360 0.000 0.818 343 L CB 1.575 43.789 42.059 0.260 0.000 1.310 343 L HN 0.941 nan 8.230 nan 0.000 0.416 344 W N 1.277 122.638 121.300 0.102 0.000 3.479 344 W HA 0.816 5.477 4.660 0.001 0.000 0.304 344 W C -1.122 175.412 176.519 0.025 0.000 1.243 344 W CA -0.499 56.830 57.345 -0.026 0.000 1.202 344 W CB 0.828 30.150 29.460 -0.230 0.000 1.346 344 W HN 0.380 nan 8.180 nan 0.000 0.539 345 T N 1.457 116.129 114.554 0.197 0.000 2.511 345 T HA 0.169 4.519 4.350 0.001 0.000 0.209 345 T C 1.330 176.206 174.700 0.293 0.000 0.805 345 T CA -0.607 61.603 62.100 0.184 0.000 1.241 345 T CB 0.072 69.028 68.868 0.146 0.000 1.785 345 T HN 0.485 nan 8.240 nan 0.000 0.492 346 M N 1.498 121.257 119.600 0.264 0.000 2.435 346 M HA 0.015 4.496 4.480 0.001 0.000 0.262 346 M C 2.331 178.823 176.300 0.320 0.000 1.065 346 M CA 1.100 56.573 55.300 0.289 0.000 1.076 346 M CB -1.989 30.759 32.600 0.248 0.000 1.403 346 M HN 0.777 nan 8.290 nan 0.000 0.454 347 G N -0.183 108.795 108.800 0.297 0.000 2.446 347 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 347 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 347 G C 1.312 176.539 174.900 0.546 0.000 1.168 347 G CA 0.536 45.837 45.100 0.335 0.000 0.771 347 G HN 0.308 nan 8.290 nan 0.000 0.551 348 F N 1.149 121.309 119.950 0.350 0.000 2.317 348 F HA 0.150 4.678 4.527 0.000 0.000 0.293 348 F C 2.409 178.349 175.800 0.233 0.000 1.085 348 F CA 0.437 58.584 58.000 0.245 0.000 1.390 348 F CB -0.788 38.246 39.000 0.057 0.000 1.077 348 F HN 0.076 nan 8.300 nan 0.000 0.517 349 N N 0.173 119.162 118.700 0.481 0.000 2.142 349 N HA -0.127 4.614 4.740 0.001 0.000 0.186 349 N C 0.654 176.345 175.510 0.302 0.000 1.023 349 N CA 0.844 54.104 53.050 0.351 0.000 0.852 349 N CB -0.400 38.294 38.487 0.346 0.000 0.998 349 N HN 0.320 nan 8.380 nan 0.000 0.424 350 Q N 0.433 120.428 119.800 0.325 0.000 3.122 350 Q HA 0.096 4.436 4.340 0.001 0.000 0.360 350 Q C -0.724 175.423 176.000 0.244 0.000 1.300 350 Q CA 0.003 55.972 55.803 0.278 0.000 0.982 350 Q CB 0.026 28.971 28.738 0.345 0.000 1.534 350 Q HN 0.309 nan 8.270 nan 0.000 0.474 351 H N 0.536 119.676 119.070 0.117 0.000 2.609 351 H HA 0.107 4.663 4.556 0.000 0.000 0.344 351 H C 0.861 176.183 175.328 -0.010 0.000 1.040 351 H CA -0.660 55.436 56.048 0.080 0.000 1.216 351 H CB 1.832 31.657 29.762 0.106 0.000 1.529 351 H HN 0.178 nan 8.280 nan 0.000 0.519 352 V N 2.969 123.012 119.914 0.215 0.000 3.140 352 V HA 0.017 4.138 4.120 0.001 0.000 0.269 352 V C 0.930 176.953 176.094 -0.119 0.000 1.149 352 V CA 1.210 63.549 62.300 0.065 0.000 1.162 352 V CB -0.477 31.437 31.823 0.152 0.000 0.756 352 V HN 0.453 nan 8.190 nan 0.000 0.523 353 R N 0.231 120.702 120.500 -0.049 0.000 2.698 353 R HA 0.373 4.713 4.340 0.001 0.000 0.422 353 R C 1.531 177.528 176.300 -0.504 0.000 1.073 353 R CA 0.489 56.279 56.100 -0.516 0.000 1.054 353 R CB 0.532 30.509 30.300 -0.538 0.000 1.373 353 R HN 0.471 nan 8.270 nan 0.000 0.593 354 G N 0.180 108.822 108.800 -0.264 0.000 2.421 354 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 354 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 354 G C 1.302 176.084 174.900 -0.196 0.000 1.171 354 G CA 0.637 45.620 45.100 -0.195 0.000 0.775 354 G HN 0.143 nan 8.290 nan 0.000 0.543 355 V N -0.191 119.661 119.914 -0.103 0.000 2.324 355 V HA -0.202 3.919 4.120 0.001 0.000 0.250 355 V C 2.592 178.774 176.094 0.146 0.000 1.060 355 V CA 1.819 64.124 62.300 0.008 0.000 1.042 355 V CB -0.577 31.300 31.823 0.090 0.000 0.650 355 V HN 0.509 nan 8.190 nan 0.000 0.450 356 W N 0.145 121.358 121.300 -0.145 0.000 2.355 356 W HA -0.110 4.550 4.660 0.001 0.000 0.309 356 W C 2.737 179.035 176.519 -0.370 0.000 1.206 356 W CA 1.324 58.568 57.345 -0.167 0.000 1.284 356 W CB -1.555 27.773 29.460 -0.220 0.000 1.145 356 W HN 0.273 nan 8.180 nan 0.000 0.502 357 A N 0.519 123.102 122.820 -0.395 0.000 1.865 357 A HA -0.267 4.053 4.320 0.001 0.000 0.217 357 A C 2.060 178.991 177.584 -1.089 0.000 1.191 357 A CA 2.025 53.470 52.037 -0.987 0.000 0.623 357 A CB -1.194 16.921 19.000 -1.475 0.000 0.826 357 A HN 0.381 nan 8.150 nan 0.000 0.444 358 N N -1.208 117.008 118.700 -0.807 0.000 2.036 358 N HA -0.217 4.524 4.740 0.001 0.000 0.195 358 N C 1.735 176.882 175.510 -0.604 0.000 1.037 358 N CA 1.705 54.288 53.050 -0.779 0.000 0.855 358 N CB -0.482 37.792 38.487 -0.356 0.000 1.033 358 N HN 0.589 nan 8.380 nan 0.000 0.423 359 H N 1.160 120.076 119.070 -0.256 0.000 2.289 359 H HA -0.091 4.465 4.556 0.000 0.000 0.296 359 H C 2.332 177.517 175.328 -0.239 0.000 1.091 359 H CA 1.358 57.333 56.048 -0.121 0.000 1.274 359 H CB -0.328 29.361 29.762 -0.122 0.000 1.364 359 H HN 0.295 nan 8.280 nan 0.000 0.490 360 M N 0.258 119.717 119.600 -0.234 0.000 2.144 360 M HA -0.164 4.316 4.480 0.001 0.000 0.260 360 M C 2.522 178.573 176.300 -0.415 0.000 1.067 360 M CA 1.447 56.559 55.300 -0.314 0.000 1.095 360 M CB -0.368 31.985 32.600 -0.411 0.000 1.365 360 M HN 0.063 nan 8.290 nan 0.000 0.406 361 V N -1.556 117.965 119.914 -0.655 0.000 2.358 361 V HA -0.249 3.871 4.120 0.001 0.000 0.246 361 V C 1.953 177.908 176.094 -0.232 0.000 1.047 361 V CA 1.668 63.599 62.300 -0.616 0.000 1.035 361 V CB -1.514 29.715 31.823 -0.989 0.000 0.658 361 V HN 0.359 nan 8.190 nan 0.000 0.452 362 Y N 1.395 121.611 120.300 -0.140 0.000 2.224 362 Y HA -0.188 4.362 4.550 0.000 0.000 0.289 362 Y C 2.786 178.702 175.900 0.027 0.000 1.146 362 Y CA 1.531 59.657 58.100 0.045 0.000 1.182 362 Y CB -0.534 37.926 38.460 -0.000 0.000 0.983 362 Y HN 0.279 nan 8.280 nan 0.000 0.524 363 N N 0.556 119.286 118.700 0.050 0.000 2.036 363 N HA -0.203 4.537 4.740 0.001 0.000 0.195 363 N C 1.802 177.308 175.510 -0.006 0.000 1.037 363 N CA 1.576 54.603 53.050 -0.039 0.000 0.855 363 N CB -0.840 37.622 38.487 -0.042 0.000 1.033 363 N HN 0.332 nan 8.380 nan 0.000 0.423 364 L N 0.075 121.263 121.223 -0.058 0.000 2.081 364 L HA -0.203 4.137 4.340 0.001 0.000 0.212 364 L C 2.233 179.065 176.870 -0.062 0.000 1.080 364 L CA 1.246 55.996 54.840 -0.149 0.000 0.754 364 L CB -0.593 41.183 42.059 -0.471 0.000 0.893 364 L HN 0.378 nan 8.230 nan 0.000 0.433 365 H N -0.163 118.976 119.070 0.114 0.000 2.372 365 H HA -0.018 4.539 4.556 0.001 0.000 0.301 365 H C 2.449 177.830 175.328 0.088 0.000 1.065 365 H CA 1.254 57.412 56.048 0.184 0.000 1.364 365 H CB 0.095 30.043 29.762 0.310 0.000 1.406 365 H HN 0.299 nan 8.280 nan 0.000 0.521 366 L N 0.223 121.580 121.223 0.223 0.000 2.017 366 L HA -0.204 4.137 4.340 0.001 0.000 0.208 366 L C 2.487 179.439 176.870 0.136 0.000 1.073 366 L CA 0.560 55.529 54.840 0.215 0.000 0.745 366 L CB -0.424 41.678 42.059 0.073 0.000 0.894 366 L HN 0.131 nan 8.230 nan 0.000 0.432 367 L N -0.091 121.152 121.223 0.034 0.000 2.081 367 L HA -0.205 4.136 4.340 0.001 0.000 0.212 367 L C 2.698 179.582 176.870 0.024 0.000 1.080 367 L CA 2.460 57.315 54.840 0.024 0.000 0.754 367 L CB -1.240 40.839 42.059 0.033 0.000 0.893 367 L HN 0.503 nan 8.230 nan 0.000 0.433 368 T N -5.001 109.539 114.554 -0.023 0.000 3.044 368 T HA 0.320 4.671 4.350 0.001 0.000 0.250 368 T C 1.415 176.010 174.700 -0.176 0.000 1.081 368 T CA 0.413 62.479 62.100 -0.056 0.000 1.040 368 T CB 0.131 68.973 68.868 -0.043 0.000 0.962 368 T HN 0.398 nan 8.240 nan 0.000 0.506 369 G N 1.968 110.510 108.800 -0.430 0.000 2.147 369 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 369 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 369 G C -0.053 174.524 174.900 -0.540 0.000 1.005 369 G CA -0.034 44.396 45.100 -1.116 0.000 0.713 369 G HN 0.594 nan 8.290 nan 0.000 0.515 370 K N 0.088 120.385 120.400 -0.171 0.000 2.229 370 K HA 0.651 4.971 4.320 0.001 0.000 0.247 370 K C -0.121 176.643 176.600 0.273 0.000 1.117 370 K CA -0.190 56.146 56.287 0.083 0.000 1.036 370 K CB 0.728 33.336 32.500 0.181 0.000 1.654 370 K HN 0.501 nan 8.250 nan 0.000 0.405 371 I N -1.264 119.393 120.570 0.144 0.000 2.882 371 I HA 0.022 4.192 4.170 0.001 0.000 0.298 371 I C -0.704 175.538 176.117 0.208 0.000 1.462 371 I CA -0.211 61.240 61.300 0.251 0.000 1.000 371 I CB 2.191 40.438 38.000 0.412 0.000 1.340 371 I HN 0.397 nan 8.210 nan 0.000 0.462 372 S N 2.638 118.478 115.700 0.233 0.000 3.581 372 S HA -0.182 4.289 4.470 0.001 0.000 0.354 372 S C -0.396 174.204 174.600 -0.001 0.000 1.059 372 S CA 1.228 59.548 58.200 0.200 0.000 1.060 372 S CB -1.332 62.016 63.200 0.247 0.000 0.908 372 S HN 0.699 nan 8.310 nan 0.000 0.475 373 E N 0.366 120.461 120.200 -0.176 0.000 2.367 373 E HA 0.354 4.704 4.350 0.001 0.000 0.273 373 E C -2.855 173.278 176.600 -0.779 0.000 0.903 373 E CA -2.613 53.489 56.400 -0.496 0.000 0.764 373 E CB 1.863 31.438 29.700 -0.209 0.000 1.252 373 E HN -0.043 nan 8.360 nan 0.000 0.446 374 P HA -0.018 nan 4.420 nan 0.000 0.267 374 P C 0.615 177.769 177.300 -0.244 0.000 1.209 374 P CA 0.999 63.645 63.100 -0.757 0.000 0.763 374 P CB 0.613 31.799 31.700 -0.856 0.000 0.816 375 G N 3.863 112.625 108.800 -0.063 0.000 2.317 375 G HA2 -0.247 3.714 3.960 0.001 0.000 0.227 375 G HA3 -0.247 3.714 3.960 0.001 0.000 0.227 375 G C 0.225 175.088 174.900 -0.061 0.000 1.042 375 G CA -0.278 44.775 45.100 -0.078 0.000 0.623 375 G HN 0.574 nan 8.290 nan 0.000 0.509 376 N N 1.108 119.798 118.700 -0.017 0.000 2.527 376 N HA 0.548 5.289 4.740 0.001 0.000 0.236 376 N C -0.504 175.094 175.510 0.147 0.000 0.999 376 N CA 0.583 53.687 53.050 0.090 0.000 0.935 376 N CB 1.215 39.752 38.487 0.084 0.000 1.132 376 N HN 0.651 nan 8.380 nan 0.000 0.511 377 S N 2.227 118.030 115.700 0.171 0.000 2.548 377 S HA 0.436 4.906 4.470 0.001 0.000 0.278 377 S C -3.262 171.350 174.600 0.020 0.000 1.150 377 S CA -1.250 57.023 58.200 0.122 0.000 0.907 377 S CB 2.304 65.599 63.200 0.158 0.000 1.108 377 S HN 0.133 nan 8.310 nan 0.000 0.459 378 P HA 0.334 nan 4.420 nan 0.000 0.273 378 P C -1.283 176.104 177.300 0.144 0.000 1.531 378 P CA -0.194 62.928 63.100 0.037 0.000 1.027 378 P CB -0.249 31.430 31.700 -0.035 0.000 1.387 379 F N 2.865 122.722 119.950 -0.154 0.000 2.411 379 F HA 0.298 4.825 4.527 0.000 0.000 0.355 379 F C 0.812 176.066 175.800 -0.910 0.000 1.117 379 F CA -0.188 57.600 58.000 -0.354 0.000 1.139 379 F CB 1.170 40.030 39.000 -0.233 0.000 1.120 379 F HN 0.117 nan 8.300 nan 0.000 0.493 380 S N 7.216 122.113 115.700 -1.339 0.000 2.439 380 S HA 0.467 4.937 4.470 0.001 0.000 0.282 380 S C -0.411 173.724 174.600 -0.775 0.000 1.170 380 S CA -0.741 56.620 58.200 -1.399 0.000 1.054 380 S CB -0.095 62.666 63.200 -0.731 0.000 0.956 380 S HN 0.616 nan 8.310 nan 0.000 0.490 381 L N 4.830 125.780 121.223 -0.456 0.000 2.380 381 L HA 0.338 4.679 4.340 0.001 0.000 0.273 381 L C 0.719 177.602 176.870 0.022 0.000 1.138 381 L CA -0.297 54.484 54.840 -0.099 0.000 0.832 381 L CB 1.118 43.027 42.059 -0.250 0.000 1.124 381 L HN 0.557 nan 8.230 nan 0.000 0.454 382 T N 1.817 116.493 114.554 0.203 0.000 2.859 382 T HA 0.309 4.659 4.350 0.001 0.000 0.281 382 T C 0.943 175.872 174.700 0.382 0.000 1.005 382 T CA -0.093 62.158 62.100 0.251 0.000 1.025 382 T CB 1.867 70.866 68.868 0.219 0.000 0.977 382 T HN 0.807 nan 8.240 nan 0.000 0.458 383 G N 1.597 110.594 108.800 0.329 0.000 2.547 383 G HA2 -0.016 3.944 3.960 0.001 0.000 0.214 383 G HA3 -0.016 3.944 3.960 0.001 0.000 0.214 383 G C 0.495 175.605 174.900 0.351 0.000 1.254 383 G CA 0.437 45.735 45.100 0.330 0.000 0.817 383 G HN 0.642 nan 8.290 nan 0.000 0.551 384 Q N 0.731 120.740 119.800 0.349 0.000 2.535 384 Q HA 0.144 4.484 4.340 0.001 0.000 0.228 384 Q C -1.251 174.855 176.000 0.176 0.000 1.062 384 Q CA -1.242 54.794 55.803 0.388 0.000 0.967 384 Q CB 1.003 29.927 28.738 0.309 0.000 1.273 384 Q HN 0.137 nan 8.270 nan 0.000 0.554 385 P HA -0.170 nan 4.420 nan 0.000 0.216 385 P C 0.119 177.257 177.300 -0.271 0.000 1.150 385 P CA 1.825 64.755 63.100 -0.282 0.000 0.837 385 P CB 0.093 31.328 31.700 -0.776 0.000 0.786 386 F N -1.799 117.988 119.950 -0.272 0.000 2.677 386 F HA 0.757 5.284 4.527 0.001 0.000 0.388 386 F C 1.642 177.489 175.800 0.078 0.000 1.400 386 F CA -0.219 57.755 58.000 -0.043 0.000 1.162 386 F CB -0.368 38.664 39.000 0.054 0.000 1.135 386 F HN 0.076 nan 8.300 nan 0.000 0.516 387 A N -1.163 121.727 122.820 0.116 0.000 2.066 387 A HA 0.050 4.370 4.320 0.001 0.000 0.218 387 A C 2.118 179.832 177.584 0.217 0.000 1.157 387 A CA 1.930 54.070 52.037 0.171 0.000 0.670 387 A CB -1.020 18.103 19.000 0.205 0.000 0.804 387 A HN 0.683 nan 8.150 nan 0.000 0.453 388 C N -1.607 117.810 119.300 0.195 0.000 2.793 388 C HA 0.220 4.681 4.460 0.001 0.000 0.285 388 C C 3.054 178.175 174.990 0.218 0.000 1.325 388 C CA 0.493 59.640 59.018 0.216 0.000 1.694 388 C CB -1.353 26.504 27.740 0.194 0.000 2.151 388 C HN 0.618 nan 8.230 nan 0.000 0.532 389 G N 0.144 109.061 108.800 0.197 0.000 2.545 389 G HA2 -0.223 3.738 3.960 0.001 0.000 0.222 389 G HA3 -0.223 3.738 3.960 0.001 0.000 0.222 389 G C 1.459 176.425 174.900 0.110 0.000 1.126 389 G CA 2.253 47.460 45.100 0.178 0.000 0.754 389 G HN 0.576 nan 8.290 nan 0.000 0.583 390 T N 0.108 114.731 114.554 0.114 0.000 3.499 390 T HA 0.450 4.800 4.350 0.001 0.000 0.227 390 T C 2.715 177.486 174.700 0.118 0.000 0.946 390 T CA 0.854 62.995 62.100 0.068 0.000 1.368 390 T CB -0.727 68.215 68.868 0.124 0.000 1.227 390 T HN 0.281 nan 8.240 nan 0.000 0.398 391 A N 2.236 125.151 122.820 0.159 0.000 1.870 391 A HA -0.278 4.043 4.320 0.001 0.000 0.219 391 A C 2.295 180.152 177.584 0.456 0.000 1.224 391 A CA 2.377 54.515 52.037 0.168 0.000 0.650 391 A CB -0.782 18.244 19.000 0.043 0.000 0.836 391 A HN 0.451 nan 8.150 nan 0.000 0.454 392 R N -0.862 119.923 120.500 0.475 0.000 2.064 392 R HA -0.088 4.253 4.340 0.001 0.000 0.228 392 R C 2.358 178.773 176.300 0.191 0.000 1.144 392 R CA 1.633 57.956 56.100 0.372 0.000 0.932 392 R CB -0.491 29.971 30.300 0.271 0.000 0.833 392 R HN 0.717 nan 8.270 nan 0.000 0.429 393 E N 0.182 120.477 120.200 0.158 0.000 2.058 393 E HA -0.170 4.180 4.350 0.001 0.000 0.194 393 E C 1.931 178.575 176.600 0.072 0.000 0.997 393 E CA 1.477 57.922 56.400 0.076 0.000 0.801 393 E CB -0.026 29.731 29.700 0.095 0.000 0.746 393 E HN 0.091 nan 8.360 nan 0.000 0.450 394 V N -0.041 119.897 119.914 0.040 0.000 3.041 394 V HA -0.000 4.120 4.120 0.001 0.000 0.260 394 V C 1.048 177.163 176.094 0.034 0.000 1.105 394 V CA 0.908 63.186 62.300 -0.038 0.000 1.125 394 V CB -0.523 31.140 31.823 -0.266 0.000 0.730 394 V HN 0.517 nan 8.190 nan 0.000 0.479 395 G N 0.925 109.784 108.800 0.099 0.000 2.531 395 G HA2 -0.208 3.752 3.960 0.001 0.000 0.283 395 G HA3 -0.208 3.752 3.960 0.001 0.000 0.283 395 G C 0.157 175.161 174.900 0.173 0.000 1.068 395 G CA 0.274 45.456 45.100 0.137 0.000 1.273 395 G HN 0.351 nan 8.290 nan 0.000 0.532 396 T N 1.211 115.922 114.554 0.261 0.000 3.258 396 T HA 0.480 4.830 4.350 0.001 0.000 0.259 396 T C -0.016 174.678 174.700 -0.010 0.000 0.963 396 T CA 0.017 62.179 62.100 0.104 0.000 0.919 396 T CB -0.184 68.730 68.868 0.076 0.000 1.110 396 T HN 0.383 nan 8.240 nan 0.000 0.550 397 F N 0.188 120.162 119.950 0.040 0.000 2.538 397 F HA 0.620 5.147 4.527 0.001 0.000 0.325 397 F C 1.430 177.277 175.800 0.078 0.000 1.066 397 F CA -1.609 56.445 58.000 0.090 0.000 0.946 397 F CB 0.843 39.913 39.000 0.118 0.000 1.199 397 F HN 0.096 nan 8.300 nan 0.000 0.473 398 A N 1.092 124.128 122.820 0.361 0.000 1.985 398 A HA -0.266 4.054 4.320 0.001 0.000 0.223 398 A C 1.715 179.431 177.584 0.220 0.000 1.189 398 A CA 2.529 54.734 52.037 0.280 0.000 0.658 398 A CB -1.254 17.953 19.000 0.345 0.000 0.820 398 A HN 0.860 nan 8.150 nan 0.000 0.464 399 H N -2.286 116.890 119.070 0.177 0.000 2.542 399 H HA 0.472 5.029 4.556 0.001 0.000 0.283 399 H C 0.506 175.884 175.328 0.082 0.000 1.059 399 H CA -0.070 56.044 56.048 0.109 0.000 1.162 399 H CB -0.195 29.637 29.762 0.116 0.000 1.539 399 H HN 0.430 nan 8.280 nan 0.000 0.543 400 R N 0.416 120.706 120.500 -0.350 0.000 2.888 400 R HA 0.656 4.997 4.340 0.001 0.000 0.266 400 R C -1.122 175.096 176.300 -0.137 0.000 1.020 400 R CA -0.779 55.118 56.100 -0.338 0.000 0.963 400 R CB 2.138 32.173 30.300 -0.441 0.000 1.197 400 R HN 0.134 nan 8.270 nan 0.000 0.481 401 L N 1.296 122.429 121.223 -0.150 0.000 2.277 401 L HA 0.579 4.920 4.340 0.001 0.000 0.254 401 L C -2.264 174.476 176.870 -0.217 0.000 1.044 401 L CA -2.531 52.215 54.840 -0.158 0.000 0.842 401 L CB 2.539 44.491 42.059 -0.177 0.000 1.422 401 L HN 0.469 nan 8.230 nan 0.000 0.422 402 P HA -0.039 nan 4.420 nan 0.000 0.270 402 P C -0.463 176.630 177.300 -0.345 0.000 1.221 402 P CA 0.225 63.104 63.100 -0.369 0.000 0.788 402 P CB 0.306 31.465 31.700 -0.902 0.000 0.904 403 A N 1.833 124.410 122.820 -0.405 0.000 2.415 403 A HA -0.238 4.083 4.320 0.001 0.000 0.292 403 A C 0.789 178.038 177.584 -0.558 0.000 1.452 403 A CA 1.202 52.812 52.037 -0.711 0.000 0.750 403 A CB -2.442 16.170 19.000 -0.647 0.000 1.099 403 A HN 0.694 nan 8.150 nan 0.000 0.391 404 D N -2.938 117.255 120.400 -0.346 0.000 3.046 404 D HA -0.208 4.432 4.640 0.001 0.000 0.210 404 D C 0.318 176.496 176.300 -0.202 0.000 1.124 404 D CA 2.025 55.921 54.000 -0.173 0.000 0.986 404 D CB -1.492 39.291 40.800 -0.027 0.000 1.118 404 D HN 0.881 nan 8.370 nan 0.000 0.416 405 M N 0.232 119.633 119.600 -0.332 0.000 2.250 405 M HA 0.343 4.823 4.480 0.001 0.000 0.344 405 M C 0.632 176.828 176.300 -0.174 0.000 1.150 405 M CA -0.338 54.658 55.300 -0.508 0.000 1.147 405 M CB 1.674 33.882 32.600 -0.654 0.000 1.498 405 M HN -0.302 nan 8.290 nan 0.000 0.461 406 V N 2.543 122.514 119.914 0.096 0.000 2.713 406 V HA 0.158 4.278 4.120 0.001 0.000 0.307 406 V C 0.851 177.029 176.094 0.140 0.000 1.052 406 V CA -0.550 61.833 62.300 0.139 0.000 0.967 406 V CB 1.909 33.870 31.823 0.230 0.000 1.019 406 V HN 0.795 nan 8.190 nan 0.000 0.459 407 V N 2.581 122.531 119.914 0.059 0.000 2.809 407 V HA -0.161 3.959 4.120 0.001 0.000 0.256 407 V C 2.232 178.349 176.094 0.038 0.000 1.080 407 V CA 2.416 64.725 62.300 0.016 0.000 1.102 407 V CB -0.231 31.565 31.823 -0.045 0.000 0.705 407 V HN 1.146 nan 8.190 nan 0.000 0.475 408 T N -0.326 114.276 114.554 0.079 0.000 2.643 408 T HA -0.134 4.216 4.350 0.001 0.000 0.264 408 T C 1.148 175.867 174.700 0.032 0.000 1.045 408 T CA 0.903 63.045 62.100 0.070 0.000 1.155 408 T CB -0.389 68.535 68.868 0.093 0.000 0.863 408 T HN 0.458 nan 8.240 nan 0.000 0.420 409 N N 2.597 121.309 118.700 0.019 0.000 2.411 409 N HA -0.022 4.719 4.740 0.001 0.000 0.265 409 N C -2.191 173.256 175.510 -0.106 0.000 1.266 409 N CA -1.221 51.763 53.050 -0.111 0.000 0.889 409 N CB 1.472 39.748 38.487 -0.352 0.000 1.069 409 N HN 0.046 nan 8.380 nan 0.000 0.476 410 P HA -0.015 nan 4.420 nan 0.000 0.222 410 P C 0.748 178.004 177.300 -0.073 0.000 1.153 410 P CA 0.836 63.899 63.100 -0.063 0.000 0.798 410 P CB 0.403 32.075 31.700 -0.048 0.000 0.796 411 E N -0.917 119.199 120.200 -0.140 0.000 2.072 411 E HA -0.181 4.169 4.350 0.001 0.000 0.191 411 E C 1.898 178.489 176.600 -0.015 0.000 0.985 411 E CA 1.180 57.515 56.400 -0.109 0.000 0.801 411 E CB -0.810 28.793 29.700 -0.163 0.000 0.750 411 E HN 0.450 nan 8.360 nan 0.000 0.452 412 H N 0.901 119.963 119.070 -0.013 0.000 2.299 412 H HA 0.030 4.587 4.556 0.000 0.000 0.302 412 H C 2.226 177.544 175.328 -0.017 0.000 1.078 412 H CA 1.088 57.139 56.048 0.003 0.000 1.323 412 H CB -0.390 29.366 29.762 -0.011 0.000 1.381 412 H HN 0.062 nan 8.280 nan 0.000 0.498 413 R N 0.365 120.917 120.500 0.086 0.000 2.113 413 R HA -0.186 4.154 4.340 0.001 0.000 0.244 413 R C 2.382 178.657 176.300 -0.040 0.000 1.142 413 R CA 1.488 57.583 56.100 -0.009 0.000 0.953 413 R CB -0.264 30.024 30.300 -0.020 0.000 0.860 413 R HN 0.325 nan 8.270 nan 0.000 0.438 414 A N -0.146 122.666 122.820 -0.014 0.000 1.877 414 A HA -0.243 4.077 4.320 0.001 0.000 0.216 414 A C 1.931 179.506 177.584 -0.016 0.000 1.186 414 A CA 1.905 53.929 52.037 -0.022 0.000 0.620 414 A CB -0.898 18.095 19.000 -0.011 0.000 0.822 414 A HN 0.499 nan 8.150 nan 0.000 0.443 415 H N 0.305 119.312 119.070 -0.105 0.000 2.353 415 H HA -0.075 4.481 4.556 0.001 0.000 0.298 415 H C 2.174 177.332 175.328 -0.283 0.000 1.103 415 H CA 1.968 57.914 56.048 -0.169 0.000 1.293 415 H CB -0.434 29.246 29.762 -0.137 0.000 1.372 415 H HN 0.389 nan 8.280 nan 0.000 0.501 416 A N 0.594 123.232 122.820 -0.304 0.000 1.877 416 A HA -0.169 4.151 4.320 0.001 0.000 0.216 416 A C 2.325 179.598 177.584 -0.518 0.000 1.186 416 A CA 1.701 53.407 52.037 -0.552 0.000 0.620 416 A CB -0.499 18.134 19.000 -0.612 0.000 0.822 416 A HN 0.658 nan 8.150 nan 0.000 0.443 417 E N -0.177 119.869 120.200 -0.256 0.000 2.085 417 E HA -0.195 4.155 4.350 0.001 0.000 0.194 417 E C 1.961 178.509 176.600 -0.087 0.000 0.994 417 E CA 1.253 57.586 56.400 -0.111 0.000 0.801 417 E CB -0.142 29.503 29.700 -0.091 0.000 0.743 417 E HN 0.598 nan 8.360 nan 0.000 0.453 418 E N 0.446 120.565 120.200 -0.136 0.000 2.110 418 E HA -0.155 4.195 4.350 0.001 0.000 0.193 418 E C 2.186 178.705 176.600 -0.134 0.000 0.988 418 E CA 0.832 57.170 56.400 -0.103 0.000 0.804 418 E CB -0.097 29.554 29.700 -0.081 0.000 0.745 418 E HN 0.393 nan 8.360 nan 0.000 0.458 419 I N -0.481 119.915 120.570 -0.290 0.000 2.333 419 I HA -0.156 4.014 4.170 0.001 0.000 0.246 419 I C 1.687 177.845 176.117 0.067 0.000 1.106 419 I CA 0.522 61.662 61.300 -0.267 0.000 1.411 419 I CB -0.131 37.432 38.000 -0.728 0.000 1.082 419 I HN 0.102 nan 8.210 nan 0.000 0.420 420 W N 2.015 123.286 121.300 -0.048 0.000 3.204 420 W HA 0.096 4.756 4.660 0.001 0.000 0.249 420 W C 0.515 177.010 176.519 -0.040 0.000 1.322 420 W CA -0.418 56.912 57.345 -0.024 0.000 1.593 420 W CB -1.117 28.325 29.460 -0.031 0.000 1.122 420 W HN 0.077 nan 8.180 nan 0.000 0.710 421 K N 0.395 120.891 120.400 0.160 0.000 4.007 421 K HA -0.206 4.115 4.320 0.001 0.000 0.279 421 K C -0.330 176.374 176.600 0.172 0.000 0.919 421 K CA 0.305 56.672 56.287 0.132 0.000 0.800 421 K CB -1.768 30.800 32.500 0.113 0.000 1.572 421 K HN 0.122 nan 8.250 nan 0.000 0.443 422 L N 0.793 122.074 121.223 0.096 0.000 2.301 422 L HA 0.600 4.941 4.340 0.001 0.000 0.264 422 L C -1.915 174.910 176.870 -0.075 0.000 1.016 422 L CA -2.461 52.348 54.840 -0.052 0.000 0.821 422 L CB 1.552 43.538 42.059 -0.121 0.000 1.346 422 L HN 0.035 nan 8.230 nan 0.000 0.429 423 P HA 0.144 nan 4.420 nan 0.000 0.276 423 P C -0.619 176.595 177.300 -0.145 0.000 1.230 423 P CA -0.312 62.729 63.100 -0.099 0.000 0.776 423 P CB 1.067 32.680 31.700 -0.145 0.000 0.888 424 A N 2.876 125.660 122.820 -0.061 0.000 2.586 424 A HA 0.344 4.664 4.320 0.001 0.000 0.231 424 A C 1.572 179.102 177.584 -0.090 0.000 1.055 424 A CA 0.822 52.821 52.037 -0.064 0.000 0.756 424 A CB -1.330 17.653 19.000 -0.028 0.000 0.988 424 A HN 0.932 nan 8.150 nan 0.000 0.509 425 G N 0.475 109.224 108.800 -0.085 0.000 2.166 425 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 425 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 425 G C 0.656 175.479 174.900 -0.128 0.000 0.986 425 G CA 0.845 45.896 45.100 -0.080 0.000 0.683 425 G HN 1.422 nan 8.290 nan 0.000 0.527 426 L N -0.452 120.644 121.223 -0.212 0.000 2.049 426 L HA 0.452 4.792 4.340 0.001 0.000 0.203 426 L C 1.546 178.270 176.870 -0.243 0.000 1.074 426 L CA 0.981 55.611 54.840 -0.349 0.000 0.749 426 L CB -0.464 41.223 42.059 -0.621 0.000 0.907 426 L HN 0.232 nan 8.230 nan 0.000 0.439 427 L N 1.279 122.400 121.223 -0.169 0.000 2.525 427 L HA 0.094 4.435 4.340 0.001 0.000 0.278 427 L C -1.968 174.860 176.870 -0.069 0.000 1.218 427 L CA -0.801 53.982 54.840 -0.096 0.000 0.878 427 L CB -0.821 41.203 42.059 -0.058 0.000 1.127 427 L HN 0.114 nan 8.230 nan 0.000 0.492 428 P HA 0.135 nan 4.420 nan 0.000 0.275 428 P C -0.385 176.837 177.300 -0.130 0.000 1.228 428 P CA -0.228 62.830 63.100 -0.070 0.000 0.786 428 P CB 0.561 32.104 31.700 -0.263 0.000 0.927 429 D N 0.659 121.073 120.400 0.024 0.000 2.392 429 D HA 0.003 4.643 4.640 0.001 0.000 0.206 429 D C 0.274 176.628 176.300 0.091 0.000 1.046 429 D CA 0.244 54.273 54.000 0.047 0.000 0.865 429 D CB -0.092 40.771 40.800 0.105 0.000 0.969 429 D HN 0.473 nan 8.370 nan 0.000 0.509 430 W N 2.408 123.748 121.300 0.068 0.000 2.216 430 W HA 0.439 5.099 4.660 0.000 0.000 0.326 430 W C -0.393 176.192 176.519 0.111 0.000 1.319 430 W CA -1.123 56.272 57.345 0.083 0.000 1.213 430 W CB 0.261 29.767 29.460 0.075 0.000 1.171 430 W HN -0.416 nan 8.180 nan 0.000 0.557 431 V N 4.839 124.926 119.914 0.288 0.000 2.555 431 V HA 0.275 4.395 4.120 0.001 0.000 0.286 431 V C 1.305 177.597 176.094 0.329 0.000 1.044 431 V CA 0.209 62.645 62.300 0.225 0.000 1.026 431 V CB 0.214 32.182 31.823 0.241 0.000 0.981 431 V HN 0.771 nan 8.190 nan 0.000 0.480 432 G N 3.251 112.183 108.800 0.220 0.000 2.653 432 G HA2 0.484 4.444 3.960 0.001 0.000 0.265 432 G HA3 0.484 4.444 3.960 0.001 0.000 0.265 432 G C 0.088 175.175 174.900 0.312 0.000 1.237 432 G CA -0.092 45.194 45.100 0.310 0.000 0.946 432 G HN 1.135 nan 8.290 nan 0.000 0.522 433 A N 0.263 123.254 122.820 0.285 0.000 2.354 433 A HA 0.539 4.859 4.320 0.001 0.000 0.281 433 A C 0.417 178.094 177.584 0.154 0.000 1.174 433 A CA -0.486 51.639 52.037 0.146 0.000 0.828 433 A CB -0.540 18.532 19.000 0.119 0.000 1.099 433 A HN 0.960 nan 8.150 nan 0.000 0.516 434 H N 0.794 120.001 119.070 0.229 0.000 2.660 434 H HA 0.591 5.147 4.556 0.001 0.000 0.374 434 H C 1.296 176.757 175.328 0.222 0.000 1.291 434 H CA -0.163 56.033 56.048 0.245 0.000 1.437 434 H CB 0.378 30.275 29.762 0.225 0.000 1.509 434 H HN 0.596 nan 8.280 nan 0.000 0.614 435 A N 1.602 124.672 122.820 0.415 0.000 1.882 435 A HA -0.291 4.030 4.320 0.001 0.000 0.220 435 A C 2.488 180.186 177.584 0.189 0.000 1.253 435 A CA 2.983 55.193 52.037 0.288 0.000 0.664 435 A CB -1.446 17.717 19.000 0.272 0.000 0.838 435 A HN 0.592 nan 8.150 nan 0.000 0.460 436 V N -0.163 119.958 119.914 0.345 0.000 2.231 436 V HA -0.335 3.785 4.120 0.001 0.000 0.248 436 V C 2.600 178.729 176.094 0.059 0.000 1.054 436 V CA 2.741 65.181 62.300 0.234 0.000 1.015 436 V CB -0.824 31.185 31.823 0.309 0.000 0.638 436 V HN 0.830 nan 8.190 nan 0.000 0.444 437 E N -0.457 119.642 120.200 -0.168 0.000 2.065 437 E HA -0.372 3.978 4.350 0.001 0.000 0.201 437 E C 2.276 178.806 176.600 -0.117 0.000 1.016 437 E CA 2.271 58.503 56.400 -0.280 0.000 0.818 437 E CB -0.264 29.011 29.700 -0.708 0.000 0.749 437 E HN 0.647 nan 8.360 nan 0.000 0.453 438 Q N -0.062 119.689 119.800 -0.081 0.000 2.173 438 Q HA -0.240 4.100 4.340 0.001 0.000 0.208 438 Q C 1.766 177.700 176.000 -0.110 0.000 0.989 438 Q CA 2.088 57.871 55.803 -0.034 0.000 0.872 438 Q CB 0.020 28.791 28.738 0.057 0.000 0.909 438 Q HN 0.406 nan 8.270 nan 0.000 0.420 439 D N -0.742 119.617 120.400 -0.069 0.000 2.097 439 D HA -0.119 4.521 4.640 0.001 0.000 0.197 439 D C 1.962 178.256 176.300 -0.010 0.000 0.984 439 D CA 0.987 54.961 54.000 -0.043 0.000 0.826 439 D CB -0.024 40.781 40.800 0.009 0.000 0.973 439 D HN 0.287 nan 8.370 nan 0.000 0.460 440 R N 1.095 121.604 120.500 0.016 0.000 2.082 440 R HA -0.068 4.272 4.340 0.001 0.000 0.234 440 R C 2.281 178.607 176.300 0.044 0.000 1.136 440 R CA 0.885 57.023 56.100 0.063 0.000 0.935 440 R CB -0.280 30.047 30.300 0.045 0.000 0.842 440 R HN 0.125 nan 8.270 nan 0.000 0.430 441 K N 0.457 120.854 120.400 -0.006 0.000 2.362 441 K HA -0.159 4.161 4.320 0.001 0.000 0.202 441 K C 1.875 178.456 176.600 -0.031 0.000 1.045 441 K CA 0.800 57.078 56.287 -0.014 0.000 0.936 441 K CB -0.090 32.403 32.500 -0.011 0.000 0.747 441 K HN 0.034 nan 8.250 nan 0.000 0.467 442 L N -0.089 121.096 121.223 -0.063 0.000 2.162 442 L HA -0.084 4.257 4.340 0.001 0.000 0.205 442 L C 2.223 179.098 176.870 0.009 0.000 1.086 442 L CA 1.671 56.441 54.840 -0.117 0.000 0.778 442 L CB -0.581 41.319 42.059 -0.265 0.000 0.928 442 L HN 0.196 nan 8.230 nan 0.000 0.446 443 H N -0.016 119.017 119.070 -0.062 0.000 2.353 443 H HA -0.128 4.428 4.556 0.000 0.000 0.300 443 H C 1.576 176.886 175.328 -0.030 0.000 1.090 443 H CA 2.048 58.076 56.048 -0.033 0.000 1.327 443 H CB 0.021 29.776 29.762 -0.013 0.000 1.383 443 H HN 0.319 nan 8.280 nan 0.000 0.508 444 D N -1.261 119.144 120.400 0.008 0.000 2.194 444 D HA 0.064 4.704 4.640 0.001 0.000 0.204 444 D C 1.493 177.770 176.300 -0.038 0.000 0.964 444 D CA 1.459 55.413 54.000 -0.077 0.000 0.846 444 D CB -0.046 40.717 40.800 -0.062 0.000 0.962 444 D HN 0.607 nan 8.370 nan 0.000 0.490 445 G N 0.486 109.277 108.800 -0.014 0.000 2.159 445 G HA2 -0.197 3.764 3.960 0.001 0.000 0.170 445 G HA3 -0.197 3.764 3.960 0.001 0.000 0.170 445 G C 0.837 175.735 174.900 -0.002 0.000 1.007 445 G CA 0.109 45.205 45.100 -0.008 0.000 0.672 445 G HN 0.270 nan 8.290 nan 0.000 0.507 446 E N -0.208 119.989 120.200 -0.005 0.000 2.112 446 E HA 0.102 4.452 4.350 0.001 0.000 0.190 446 E C 1.100 177.715 176.600 0.025 0.000 0.979 446 E CA 0.575 56.977 56.400 0.003 0.000 0.814 446 E CB 0.498 30.198 29.700 0.000 0.000 0.762 446 E HN 0.614 nan 8.360 nan 0.000 0.460 447 I N 1.868 122.450 120.570 0.020 0.000 2.339 447 I HA 0.141 4.311 4.170 0.001 0.000 0.290 447 I C 0.402 176.552 176.117 0.054 0.000 0.994 447 I CA -0.153 61.184 61.300 0.061 0.000 1.191 447 I CB 1.161 39.187 38.000 0.043 0.000 1.343 447 I HN -0.066 nan 8.210 nan 0.000 0.458 448 N N 4.264 123.042 118.700 0.131 0.000 2.210 448 N HA 0.160 4.901 4.740 0.001 0.000 0.203 448 N C -0.449 175.221 175.510 0.267 0.000 1.175 448 N CA -0.142 52.995 53.050 0.146 0.000 0.894 448 N CB 0.816 39.377 38.487 0.124 0.000 1.041 448 N HN 0.415 nan 8.380 nan 0.000 0.506 449 F N 1.151 121.202 119.950 0.168 0.000 2.507 449 F HA 0.492 5.019 4.527 0.000 0.000 0.325 449 F C -1.561 174.440 175.800 0.335 0.000 1.116 449 F CA -0.977 57.169 58.000 0.243 0.000 0.930 449 F CB 1.101 40.216 39.000 0.191 0.000 1.146 449 F HN -0.167 nan 8.300 nan 0.000 0.447 450 Y N 6.309 126.420 120.300 -0.314 0.000 2.396 450 Y HA 0.356 4.907 4.550 0.000 0.000 0.332 450 Y C -2.102 173.709 175.900 -0.148 0.000 1.034 450 Y CA -1.454 56.574 58.100 -0.121 0.000 1.057 450 Y CB 1.140 39.482 38.460 -0.197 0.000 1.220 450 Y HN 0.669 nan 8.280 nan 0.000 0.440 451 W N 7.808 128.921 121.300 -0.311 0.000 2.362 451 W HA 0.676 5.336 4.660 0.001 0.000 0.316 451 W C -1.698 174.680 176.519 -0.236 0.000 1.024 451 W CA -1.426 55.804 57.345 -0.191 0.000 1.270 451 W CB 1.207 30.715 29.460 0.080 0.000 1.273 451 W HN 0.291 nan 8.180 nan 0.000 0.424 452 V N 6.395 126.450 119.914 0.235 0.000 2.481 452 V HA 0.404 4.524 4.120 0.001 0.000 0.286 452 V C -0.143 175.978 176.094 0.044 0.000 1.042 452 V CA -0.481 61.875 62.300 0.093 0.000 0.928 452 V CB 1.488 33.452 31.823 0.234 0.000 0.986 452 V HN 0.415 nan 8.190 nan 0.000 0.462 453 Q N 2.238 121.927 119.800 -0.185 0.000 2.305 453 Q HA 0.478 4.819 4.340 0.001 0.000 0.271 453 Q C -0.527 175.210 176.000 -0.438 0.000 1.046 453 Q CA -0.723 54.910 55.803 -0.283 0.000 0.798 453 Q CB 2.432 30.967 28.738 -0.338 0.000 1.286 453 Q HN 0.626 nan 8.270 nan 0.000 0.435 454 V N 2.217 122.021 119.914 -0.183 0.000 5.325 454 V HA -0.336 3.785 4.120 0.001 0.000 0.291 454 V C -0.373 175.667 176.094 -0.089 0.000 0.541 454 V CA 1.675 63.901 62.300 -0.122 0.000 0.687 454 V CB -2.510 29.191 31.823 -0.203 0.000 0.491 454 V HN 0.944 nan 8.190 nan 0.000 1.145 455 N N -0.972 117.728 118.700 -0.000 0.000 2.823 455 N HA 0.273 5.014 4.740 0.001 0.000 0.251 455 N C -0.806 174.813 175.510 0.182 0.000 1.392 455 N CA -0.735 52.370 53.050 0.091 0.000 0.864 455 N CB 1.983 40.478 38.487 0.013 0.000 1.481 455 N HN 0.091 nan 8.380 nan 0.000 0.508 456 N N 0.512 119.350 118.700 0.231 0.000 2.644 456 N HA 0.135 4.876 4.740 0.001 0.000 0.313 456 N C -0.088 175.559 175.510 0.229 0.000 1.863 456 N CA -0.310 52.874 53.050 0.223 0.000 0.918 456 N CB -0.719 37.901 38.487 0.221 0.000 1.320 456 N HN 0.663 nan 8.380 nan 0.000 0.490 457 N N 0.189 119.056 118.700 0.278 0.000 2.334 457 N HA -0.152 4.589 4.740 0.001 0.000 0.187 457 N C 1.258 176.817 175.510 0.082 0.000 1.016 457 N CA 0.590 53.803 53.050 0.271 0.000 0.879 457 N CB 0.207 38.936 38.487 0.402 0.000 0.965 457 N HN 0.290 nan 8.380 nan 0.000 0.438 458 M N 0.517 120.111 119.600 -0.011 0.000 2.549 458 M HA -0.070 4.410 4.480 0.001 0.000 0.260 458 M C 1.616 177.897 176.300 -0.030 0.000 1.076 458 M CA 1.266 56.490 55.300 -0.126 0.000 1.090 458 M CB -0.292 32.220 32.600 -0.147 0.000 1.418 458 M HN 0.253 nan 8.290 nan 0.000 0.486 459 Q N -2.067 117.766 119.800 0.054 0.000 2.471 459 Q HA 0.180 4.520 4.340 0.001 0.000 0.241 459 Q C 1.832 177.856 176.000 0.041 0.000 0.886 459 Q CA 0.588 56.453 55.803 0.105 0.000 0.953 459 Q CB 0.428 29.302 28.738 0.226 0.000 1.108 459 Q HN 0.434 nan 8.270 nan 0.000 0.575 460 A N 1.106 123.932 122.820 0.009 0.000 1.872 460 A HA 0.246 4.566 4.320 0.001 0.000 0.214 460 A C 1.196 178.538 177.584 -0.404 0.000 1.187 460 A CA 0.836 52.641 52.037 -0.387 0.000 0.614 460 A CB -0.629 18.312 19.000 -0.098 0.000 0.826 460 A HN 0.377 nan 8.150 nan 0.000 0.442 461 A N 0.975 123.737 122.820 -0.097 0.000 2.483 461 A HA 0.468 4.788 4.320 0.001 0.000 0.238 461 A C -2.146 175.421 177.584 -0.028 0.000 1.070 461 A CA -0.778 51.230 52.037 -0.049 0.000 0.770 461 A CB -0.339 18.710 19.000 0.081 0.000 1.008 461 A HN 0.371 nan 8.150 nan 0.000 0.497 462 P HA 0.103 nan 4.420 nan 0.000 0.278 462 P C -0.189 177.084 177.300 -0.045 0.000 1.238 462 P CA -0.262 62.820 63.100 -0.031 0.000 0.794 462 P CB 0.531 32.087 31.700 -0.240 0.000 0.955 463 N N 0.622 119.294 118.700 -0.046 0.000 2.721 463 N HA -0.183 4.558 4.740 0.001 0.000 0.249 463 N C 1.203 176.693 175.510 -0.033 0.000 1.072 463 N CA 0.686 53.712 53.050 -0.039 0.000 0.710 463 N CB -1.316 37.148 38.487 -0.039 0.000 0.993 463 N HN 0.491 nan 8.380 nan 0.000 0.547 464 I N -2.745 117.804 120.570 -0.036 0.000 2.182 464 I HA -0.330 3.840 4.170 0.001 0.000 0.248 464 I C 2.032 178.145 176.117 -0.008 0.000 1.073 464 I CA 2.025 63.306 61.300 -0.032 0.000 1.335 464 I CB -0.357 37.614 38.000 -0.050 0.000 1.031 464 I HN 0.032 nan 8.210 nan 0.000 0.420 465 D N 0.398 120.786 120.400 -0.020 0.000 2.144 465 D HA -0.204 4.436 4.640 0.001 0.000 0.200 465 D C 2.234 178.535 176.300 0.001 0.000 0.978 465 D CA 1.377 55.377 54.000 0.001 0.000 0.833 465 D CB -0.031 40.756 40.800 -0.021 0.000 0.961 465 D HN 0.576 nan 8.370 nan 0.000 0.470 466 Q N -0.273 119.515 119.800 -0.019 0.000 1.994 466 Q HA -0.091 4.249 4.340 0.001 0.000 0.198 466 Q C 1.318 177.241 176.000 -0.129 0.000 0.976 466 Q CA 1.494 57.285 55.803 -0.021 0.000 0.828 466 Q CB 0.166 28.910 28.738 0.010 0.000 0.894 466 Q HN 0.150 nan 8.270 nan 0.000 0.432 467 E N -2.001 118.124 120.200 -0.126 0.000 2.541 467 E HA 0.095 4.446 4.350 0.001 0.000 0.219 467 E C 1.184 177.687 176.600 -0.162 0.000 0.922 467 E CA 0.385 56.653 56.400 -0.219 0.000 1.095 467 E CB 1.036 30.735 29.700 -0.001 0.000 1.112 467 E HN 0.226 nan 8.360 nan 0.000 0.516 468 T N -0.179 114.330 114.554 -0.075 0.000 2.983 468 T HA -0.060 4.291 4.350 0.001 0.000 0.250 468 T C 1.335 176.033 174.700 -0.003 0.000 1.037 468 T CA 0.474 62.560 62.100 -0.023 0.000 1.142 468 T CB -0.232 68.603 68.868 -0.054 0.000 0.876 468 T HN 0.161 nan 8.240 nan 0.000 0.455 469 Y N 3.890 124.108 120.300 -0.137 0.000 2.133 469 Y HA -0.022 4.528 4.550 0.001 0.000 0.287 469 Y C -0.816 175.062 175.900 -0.036 0.000 1.134 469 Y CA 0.792 58.832 58.100 -0.100 0.000 1.133 469 Y CB -1.226 37.180 38.460 -0.091 0.000 0.987 469 Y HN 0.125 nan 8.280 nan 0.000 0.502 470 P HA -0.109 nan 4.420 nan 0.000 0.218 470 P C 1.657 178.866 177.300 -0.151 0.000 1.149 470 P CA 2.207 65.142 63.100 -0.275 0.000 0.817 470 P CB -0.392 31.128 31.700 -0.301 0.000 0.785 471 G N -1.269 107.469 108.800 -0.103 0.000 2.422 471 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 471 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 471 G C 1.295 176.202 174.900 0.012 0.000 1.140 471 G CA 0.387 45.488 45.100 0.003 0.000 0.775 471 G HN 0.185 nan 8.290 nan 0.000 0.545 472 Y N 0.493 120.691 120.300 -0.170 0.000 2.420 472 Y HA 0.173 4.723 4.550 0.001 0.000 0.292 472 Y C 2.536 178.346 175.900 -0.149 0.000 1.119 472 Y CA 0.540 58.565 58.100 -0.125 0.000 1.229 472 Y CB 0.356 38.782 38.460 -0.057 0.000 1.026 472 Y HN 0.002 nan 8.280 nan 0.000 0.554 473 R N -0.002 120.436 120.500 -0.104 0.000 2.334 473 R HA 0.048 4.389 4.340 0.001 0.000 0.216 473 R C -0.128 176.111 176.300 -0.101 0.000 0.905 473 R CA -0.134 55.871 56.100 -0.158 0.000 1.064 473 R CB -1.060 29.018 30.300 -0.369 0.000 1.046 473 R HN 0.344 nan 8.270 nan 0.000 0.508 474 N N 3.356 122.018 118.700 -0.064 0.000 2.429 474 N HA -0.023 4.717 4.740 0.001 0.000 0.271 474 N C -1.686 173.812 175.510 -0.019 0.000 1.272 474 N CA -1.196 51.839 53.050 -0.025 0.000 0.921 474 N CB 1.081 39.570 38.487 0.003 0.000 1.128 474 N HN -0.114 nan 8.380 nan 0.000 0.481 475 P HA -0.128 nan 4.420 nan 0.000 0.222 475 P C 0.381 177.683 177.300 0.003 0.000 1.142 475 P CA 1.021 64.102 63.100 -0.030 0.000 0.788 475 P CB 0.286 31.953 31.700 -0.055 0.000 0.767 476 E N -0.469 119.739 120.200 0.014 0.000 2.489 476 E HA 0.085 4.435 4.350 0.001 0.000 0.193 476 E C 0.063 176.702 176.600 0.065 0.000 1.057 476 E CA 0.113 56.533 56.400 0.033 0.000 0.866 476 E CB -0.585 29.128 29.700 0.021 0.000 0.916 476 E HN 0.489 nan 8.360 nan 0.000 0.500 477 N N -0.370 118.370 118.700 0.066 0.000 2.370 477 N HA 0.353 5.094 4.740 0.001 0.000 0.303 477 N C -1.195 174.420 175.510 0.175 0.000 1.103 477 N CA -0.623 52.480 53.050 0.088 0.000 0.848 477 N CB 1.419 39.902 38.487 -0.008 0.000 1.235 477 N HN -0.139 nan 8.380 nan 0.000 0.496 478 F N 2.041 121.987 119.950 -0.007 0.000 2.507 478 F HA 0.614 5.142 4.527 0.001 0.000 0.325 478 F C -1.411 174.293 175.800 -0.160 0.000 1.116 478 F CA -0.745 57.233 58.000 -0.038 0.000 0.930 478 F CB 0.809 39.799 39.000 -0.017 0.000 1.146 478 F HN 0.307 nan 8.300 nan 0.000 0.447 479 I N 6.530 126.732 120.570 -0.614 0.000 2.447 479 I HA 0.425 4.595 4.170 0.001 0.000 0.287 479 I C -1.133 174.645 176.117 -0.564 0.000 1.023 479 I CA -0.733 60.281 61.300 -0.477 0.000 1.083 479 I CB 1.946 39.788 38.000 -0.262 0.000 1.245 479 I HN 0.290 nan 8.210 nan 0.000 0.434 480 V N 6.819 126.451 119.914 -0.470 0.000 2.483 480 V HA 0.543 4.663 4.120 0.001 0.000 0.295 480 V C -0.277 175.851 176.094 0.056 0.000 1.035 480 V CA -0.769 61.328 62.300 -0.337 0.000 0.896 480 V CB 1.934 33.374 31.823 -0.638 0.000 0.986 480 V HN 0.379 nan 8.190 nan 0.000 0.447 481 V N 3.190 123.183 119.914 0.132 0.000 2.447 481 V HA 0.364 4.484 4.120 0.001 0.000 0.292 481 V C -0.050 176.207 176.094 0.272 0.000 1.021 481 V CA -0.250 62.197 62.300 0.245 0.000 0.850 481 V CB 2.019 33.961 31.823 0.198 0.000 1.005 481 V HN 0.928 nan 8.190 nan 0.000 0.426 482 S N 4.312 120.241 115.700 0.381 0.000 2.499 482 S HA 0.655 5.125 4.470 0.001 0.000 0.279 482 S C -0.501 174.233 174.600 0.223 0.000 1.219 482 S CA -0.366 58.051 58.200 0.361 0.000 1.062 482 S CB 1.121 64.594 63.200 0.455 0.000 0.978 482 S HN 0.867 nan 8.310 nan 0.000 0.489 483 D N -0.079 120.427 120.400 0.177 0.000 2.738 483 D HA 0.473 5.113 4.640 0.001 0.000 0.308 483 D C -0.595 175.744 176.300 0.064 0.000 1.311 483 D CA -0.477 53.597 54.000 0.123 0.000 0.799 483 D CB 1.486 42.358 40.800 0.120 0.000 1.332 483 D HN 0.469 nan 8.370 nan 0.000 0.441 484 A N 0.060 122.877 122.820 -0.005 0.000 2.419 484 A HA 0.380 4.700 4.320 0.001 0.000 0.233 484 A C -0.543 176.804 177.584 -0.394 0.000 1.217 484 A CA 0.243 52.159 52.037 -0.203 0.000 0.944 484 A CB 0.309 19.132 19.000 -0.294 0.000 1.025 484 A HN 0.389 nan 8.150 nan 0.000 0.524 485 Y N -2.362 117.962 120.300 0.041 0.000 2.597 485 Y HA 0.381 4.931 4.550 0.001 0.000 0.340 485 Y C -1.938 173.966 175.900 0.007 0.000 1.097 485 Y CA -2.129 55.982 58.100 0.019 0.000 1.037 485 Y CB 1.314 39.789 38.460 0.025 0.000 1.305 485 Y HN -0.082 nan 8.280 nan 0.000 0.463 486 P HA -0.236 nan 4.420 nan 0.000 0.223 486 P C -0.487 176.853 177.300 0.067 0.000 0.816 486 P CA 2.757 65.895 63.100 0.064 0.000 1.074 486 P CB -0.170 31.557 31.700 0.045 0.000 0.700 487 T N -3.851 110.745 114.554 0.071 0.000 0.542 487 T HA -0.133 4.217 4.350 0.001 0.000 0.774 487 T C 0.556 175.294 174.700 0.063 0.000 0.992 487 T CA 0.218 62.366 62.100 0.080 0.000 4.076 487 T CB -0.779 68.158 68.868 0.116 0.000 2.302 487 T HN 0.080 nan 8.240 nan 0.000 0.398 488 V N 3.466 123.417 119.914 0.060 0.000 2.358 488 V HA -0.156 3.964 4.120 0.001 0.000 0.246 488 V C 2.410 178.549 176.094 0.075 0.000 1.047 488 V CA 2.875 65.208 62.300 0.054 0.000 1.035 488 V CB -0.657 31.184 31.823 0.029 0.000 0.658 488 V HN 1.146 nan 8.190 nan 0.000 0.452 489 T N 0.362 114.966 114.554 0.082 0.000 2.699 489 T HA -0.153 4.197 4.350 0.001 0.000 0.268 489 T C 1.704 176.501 174.700 0.163 0.000 1.036 489 T CA 1.700 63.860 62.100 0.101 0.000 1.147 489 T CB -0.867 68.087 68.868 0.143 0.000 0.862 489 T HN 0.680 nan 8.240 nan 0.000 0.446 490 G N 0.793 109.671 108.800 0.129 0.000 2.408 490 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 490 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 490 G C 1.579 176.549 174.900 0.117 0.000 1.150 490 G CA 0.370 45.530 45.100 0.100 0.000 0.776 490 G HN 0.381 nan 8.290 nan 0.000 0.542 491 R N 0.509 121.075 120.500 0.110 0.000 2.120 491 R HA 0.014 4.354 4.340 0.001 0.000 0.234 491 R C 2.340 178.815 176.300 0.291 0.000 1.123 491 R CA 1.155 57.366 56.100 0.184 0.000 0.975 491 R CB -0.202 30.174 30.300 0.126 0.000 0.866 491 R HN 0.309 nan 8.270 nan 0.000 0.446 492 A N -0.355 122.610 122.820 0.243 0.000 2.337 492 A HA 0.398 4.719 4.320 0.001 0.000 0.227 492 A C 0.435 178.200 177.584 0.302 0.000 1.259 492 A CA 0.353 52.551 52.037 0.268 0.000 0.870 492 A CB -0.010 19.132 19.000 0.237 0.000 0.927 492 A HN 0.395 nan 8.150 nan 0.000 0.497 493 A N -0.768 122.244 122.820 0.320 0.000 2.624 493 A HA 0.640 4.960 4.320 0.001 0.000 0.267 493 A C 0.291 177.993 177.584 0.196 0.000 1.282 493 A CA -0.058 52.128 52.037 0.248 0.000 0.934 493 A CB 0.632 19.757 19.000 0.208 0.000 1.510 493 A HN 0.148 nan 8.150 nan 0.000 0.477 494 D N -1.749 118.647 120.400 -0.006 0.000 2.482 494 D HA 0.190 4.831 4.640 0.001 0.000 0.251 494 D C -0.615 175.658 176.300 -0.046 0.000 1.073 494 D CA 0.478 54.430 54.000 -0.080 0.000 0.892 494 D CB 0.623 41.275 40.800 -0.245 0.000 1.202 494 D HN 0.193 nan 8.370 nan 0.000 0.496 495 L N 1.448 122.562 121.223 -0.181 0.000 2.409 495 L HA 0.449 4.789 4.340 0.001 0.000 0.272 495 L C -1.541 175.314 176.870 -0.024 0.000 0.980 495 L CA -0.822 53.966 54.840 -0.087 0.000 0.826 495 L CB 2.277 44.181 42.059 -0.258 0.000 1.268 495 L HN -0.332 nan 8.230 nan 0.000 0.407 496 V N 6.540 126.467 119.914 0.022 0.000 2.378 496 V HA 0.473 4.593 4.120 0.001 0.000 0.288 496 V C -0.272 175.793 176.094 -0.047 0.000 1.016 496 V CA -0.436 61.854 62.300 -0.018 0.000 0.840 496 V CB 1.629 33.376 31.823 -0.126 0.000 0.994 496 V HN 0.621 nan 8.190 nan 0.000 0.431 497 L N 8.258 129.512 121.223 0.052 0.000 2.282 497 L HA 0.517 4.858 4.340 0.001 0.000 0.288 497 L C -2.189 174.779 176.870 0.163 0.000 1.033 497 L CA -1.820 53.060 54.840 0.067 0.000 0.807 497 L CB 1.920 44.189 42.059 0.351 0.000 1.209 497 L HN 0.388 nan 8.230 nan 0.000 0.423 498 P HA 0.165 nan 4.420 nan 0.000 0.271 498 P C -1.026 176.453 177.300 0.297 0.000 1.220 498 P CA -0.151 63.027 63.100 0.130 0.000 0.768 498 P CB 1.515 33.230 31.700 0.024 0.000 0.848 499 A N 3.461 126.395 122.820 0.191 0.000 2.350 499 A HA 0.691 5.011 4.320 0.001 0.000 0.324 499 A C -0.086 177.562 177.584 0.107 0.000 1.118 499 A CA -0.849 51.314 52.037 0.210 0.000 0.783 499 A CB 1.227 20.358 19.000 0.218 0.000 1.236 499 A HN 0.571 nan 8.150 nan 0.000 0.457 500 A N 2.524 125.413 122.820 0.116 0.000 2.409 500 A HA 0.579 4.899 4.320 0.001 0.000 0.262 500 A C 0.174 177.813 177.584 0.091 0.000 1.113 500 A CA -0.096 51.959 52.037 0.029 0.000 0.790 500 A CB 0.111 19.086 19.000 -0.042 0.000 1.046 500 A HN 1.019 nan 8.150 nan 0.000 0.496 501 M N 2.531 122.162 119.600 0.051 0.000 2.706 501 M HA 0.342 4.823 4.480 0.001 0.000 0.304 501 M C 0.677 177.096 176.300 0.198 0.000 1.217 501 M CA -0.480 54.883 55.300 0.105 0.000 0.922 501 M CB 0.786 33.388 32.600 0.003 0.000 1.637 501 M HN 1.016 nan 8.290 nan 0.000 0.492 502 W N 1.751 123.052 121.300 0.003 0.000 2.464 502 W HA -0.376 4.285 4.660 0.001 0.000 0.330 502 W C 0.882 177.448 176.519 0.078 0.000 1.543 502 W CA 2.820 60.128 57.345 -0.062 0.000 1.475 502 W CB -1.661 27.645 29.460 -0.258 0.000 0.908 502 W HN 0.422 nan 8.180 nan 0.000 0.500 503 V N 1.561 121.281 119.914 -0.324 0.000 3.646 503 V HA -0.051 4.069 4.120 0.001 0.000 0.277 503 V C 1.516 177.561 176.094 -0.082 0.000 1.274 503 V CA 1.744 63.789 62.300 -0.426 0.000 1.164 503 V CB -0.510 30.722 31.823 -0.986 0.000 0.926 503 V HN 0.354 nan 8.190 nan 0.000 0.442 504 E N 0.909 121.106 120.200 -0.005 0.000 2.489 504 E HA 0.060 4.410 4.350 0.001 0.000 0.193 504 E C 0.732 177.328 176.600 -0.008 0.000 1.057 504 E CA 0.078 56.455 56.400 -0.039 0.000 0.866 504 E CB 0.316 29.971 29.700 -0.075 0.000 0.916 504 E HN 0.533 nan 8.360 nan 0.000 0.500 505 K N 1.242 121.725 120.400 0.138 0.000 2.498 505 K HA 0.254 4.574 4.320 0.001 0.000 0.254 505 K C -1.216 175.493 176.600 0.181 0.000 0.933 505 K CA -0.680 55.733 56.287 0.210 0.000 0.806 505 K CB 2.043 34.708 32.500 0.275 0.000 1.301 505 K HN -0.135 nan 8.250 nan 0.000 0.432 506 E N 1.734 121.996 120.200 0.103 0.000 2.360 506 E HA 0.390 4.740 4.350 0.001 0.000 0.269 506 E C -0.543 175.913 176.600 -0.241 0.000 1.022 506 E CA -0.157 56.199 56.400 -0.072 0.000 0.887 506 E CB 0.710 30.465 29.700 0.092 0.000 0.990 506 E HN 0.775 nan 8.360 nan 0.000 0.426 507 G N 1.766 109.868 108.800 -1.164 0.000 2.687 507 G HA2 0.712 4.672 3.960 0.001 0.000 0.291 507 G HA3 0.712 4.672 3.960 0.001 0.000 0.291 507 G C -1.697 171.901 174.900 -2.170 0.000 1.420 507 G CA -0.285 43.849 45.100 -1.610 0.000 0.796 507 G HN 0.720 nan 8.290 nan 0.000 0.485 508 A N -1.017 120.583 122.820 -2.032 0.000 2.549 508 A HA 0.841 5.161 4.320 0.001 0.000 0.297 508 A C -2.074 175.194 177.584 -0.528 0.000 1.061 508 A CA -0.552 50.745 52.037 -1.232 0.000 0.690 508 A CB 1.603 19.570 19.000 -1.721 0.000 1.287 508 A HN 0.826 nan 8.150 nan 0.000 0.402 509 Y N -0.530 119.800 120.300 0.050 0.000 2.638 509 Y HA 0.744 5.295 4.550 0.001 0.000 0.339 509 Y C 0.574 176.514 175.900 0.066 0.000 1.084 509 Y CA -1.105 57.090 58.100 0.158 0.000 1.068 509 Y CB 2.517 41.215 38.460 0.396 0.000 1.294 509 Y HN 1.061 nan 8.280 nan 0.000 0.480 510 G N 2.055 110.991 108.800 0.228 0.000 2.737 510 G HA2 0.392 4.353 3.960 0.001 0.000 0.290 510 G HA3 0.392 4.353 3.960 0.001 0.000 0.290 510 G C -1.014 173.936 174.900 0.083 0.000 1.482 510 G CA -0.847 44.304 45.100 0.084 0.000 1.017 510 G HN 0.584 nan 8.290 nan 0.000 0.529 511 N N 1.220 119.924 118.700 0.008 0.000 2.379 511 N HA 0.391 5.131 4.740 0.001 0.000 0.260 511 N C 1.531 177.114 175.510 0.120 0.000 1.254 511 N CA -0.006 53.118 53.050 0.122 0.000 0.958 511 N CB 1.102 39.711 38.487 0.203 0.000 1.208 511 N HN 0.371 nan 8.380 nan 0.000 0.532 512 A N -0.497 122.467 122.820 0.240 0.000 2.139 512 A HA -0.210 4.110 4.320 0.001 0.000 0.221 512 A C 1.213 178.885 177.584 0.147 0.000 1.159 512 A CA 1.733 53.913 52.037 0.240 0.000 0.662 512 A CB -0.979 18.293 19.000 0.454 0.000 0.796 512 A HN 0.879 nan 8.150 nan 0.000 0.463 513 E N -1.282 118.897 120.200 -0.036 0.000 2.496 513 E HA 0.387 4.737 4.350 0.001 0.000 0.202 513 E C 0.218 176.643 176.600 -0.291 0.000 1.021 513 E CA -0.649 55.631 56.400 -0.199 0.000 1.015 513 E CB -0.190 29.024 29.700 -0.809 0.000 1.102 513 E HN 0.396 nan 8.360 nan 0.000 0.452 514 R N 0.255 120.577 120.500 -0.297 0.000 3.776 514 R HA -0.189 4.151 4.340 0.001 0.000 0.312 514 R C -0.257 175.893 176.300 -0.251 0.000 1.181 514 R CA 0.821 56.622 56.100 -0.498 0.000 0.836 514 R CB -1.844 27.771 30.300 -1.143 0.000 1.324 514 R HN 0.352 nan 8.270 nan 0.000 0.501 515 R N 1.011 121.404 120.500 -0.178 0.000 2.207 515 R HA 0.221 4.562 4.340 0.001 0.000 0.334 515 R C -0.840 175.294 176.300 -0.277 0.000 1.013 515 R CA -0.098 55.873 56.100 -0.215 0.000 0.858 515 R CB 1.108 31.220 30.300 -0.313 0.000 1.094 515 R HN -0.052 nan 8.270 nan 0.000 0.457 516 T N 5.886 120.365 114.554 -0.125 0.000 2.753 516 T HA 0.274 4.624 4.350 0.001 0.000 0.297 516 T C -1.179 173.386 174.700 -0.226 0.000 0.981 516 T CA -0.605 61.384 62.100 -0.185 0.000 0.956 516 T CB 0.274 69.056 68.868 -0.143 0.000 0.936 516 T HN 0.660 nan 8.240 nan 0.000 0.463 517 H N 1.273 120.379 119.070 0.060 0.000 2.622 517 H HA 0.754 5.311 4.556 0.000 0.000 0.363 517 H C -1.051 174.429 175.328 0.254 0.000 1.151 517 H CA -1.595 54.516 56.048 0.105 0.000 1.184 517 H CB 0.369 30.213 29.762 0.137 0.000 1.643 517 H HN 0.236 nan 8.280 nan 0.000 0.531 518 F N 0.499 120.418 119.950 -0.052 0.000 2.452 518 F HA 0.609 5.136 4.527 0.000 0.000 0.353 518 F C -0.460 175.404 175.800 0.105 0.000 1.089 518 F CA -1.408 56.443 58.000 -0.249 0.000 1.080 518 F CB 1.023 39.585 39.000 -0.730 0.000 1.399 518 F HN 0.870 nan 8.300 nan 0.000 0.492 519 W N -0.281 121.038 121.300 0.032 0.000 3.901 519 W HA 0.412 5.072 4.660 0.000 0.000 0.274 519 W C -1.761 174.758 176.519 -0.000 0.000 1.278 519 W CA -0.793 56.531 57.345 -0.036 0.000 1.235 519 W CB 0.025 29.395 29.460 -0.150 0.000 1.261 519 W HN 0.351 nan 8.180 nan 0.000 0.546 520 H N 1.702 120.863 119.070 0.152 0.000 2.534 520 H HA 0.224 4.780 4.556 0.001 0.000 0.364 520 H C -0.453 174.910 175.328 0.059 0.000 1.328 520 H CA -0.218 55.784 56.048 -0.076 0.000 1.415 520 H CB 1.337 30.745 29.762 -0.591 0.000 1.573 520 H HN 0.645 nan 8.280 nan 0.000 0.601 521 Q N 1.255 121.176 119.800 0.202 0.000 2.294 521 Q HA 0.083 4.423 4.340 0.001 0.000 0.257 521 Q C -0.219 175.861 176.000 0.134 0.000 0.955 521 Q CA -0.564 55.328 55.803 0.149 0.000 0.936 521 Q CB 0.529 29.335 28.738 0.114 0.000 1.188 521 Q HN 0.342 nan 8.270 nan 0.000 0.420 522 L N 4.455 125.716 121.223 0.064 0.000 2.556 522 L HA 0.184 4.524 4.340 0.001 0.000 0.226 522 L C 0.321 177.181 176.870 -0.017 0.000 1.089 522 L CA 0.495 55.356 54.840 0.034 0.000 0.864 522 L CB 0.301 42.337 42.059 -0.039 0.000 1.067 522 L HN 0.548 nan 8.230 nan 0.000 0.477 523 V N -4.715 115.181 119.914 -0.031 0.000 3.206 523 V HA 0.558 4.678 4.120 0.001 0.000 0.305 523 V C -0.677 175.386 176.094 -0.053 0.000 1.257 523 V CA -1.164 61.117 62.300 -0.032 0.000 1.057 523 V CB 2.179 33.998 31.823 -0.006 0.000 1.075 523 V HN 0.076 nan 8.190 nan 0.000 0.443 524 E N 1.277 121.444 120.200 -0.055 0.000 2.277 524 E HA 0.682 5.033 4.350 0.001 0.000 0.274 524 E C 0.013 176.556 176.600 -0.095 0.000 1.022 524 E CA -0.475 55.866 56.400 -0.099 0.000 0.853 524 E CB 2.009 31.657 29.700 -0.086 0.000 1.086 524 E HN 1.107 nan 8.360 nan 0.000 0.397 525 A N 3.788 126.512 122.820 -0.159 0.000 2.366 525 A HA 0.295 4.616 4.320 0.001 0.000 0.249 525 A C -1.933 175.606 177.584 -0.077 0.000 1.084 525 A CA -1.052 50.910 52.037 -0.126 0.000 0.794 525 A CB -0.317 18.582 19.000 -0.169 0.000 1.034 525 A HN 0.434 nan 8.150 nan 0.000 0.491 526 P HA 0.375 nan 4.420 nan 0.000 0.275 526 P C 0.888 178.177 177.300 -0.019 0.000 1.227 526 P CA 1.082 64.173 63.100 -0.014 0.000 0.781 526 P CB 0.848 32.552 31.700 0.007 0.000 0.906 527 G N 3.650 112.444 108.800 -0.011 0.000 2.651 527 G HA2 -0.290 3.670 3.960 0.001 0.000 0.315 527 G HA3 -0.290 3.670 3.960 0.001 0.000 0.315 527 G C 0.474 175.378 174.900 0.005 0.000 1.258 527 G CA 0.148 45.245 45.100 -0.005 0.000 1.002 527 G HN 0.572 nan 8.290 nan 0.000 0.551 528 E N 1.745 121.966 120.200 0.035 0.000 2.437 528 E HA 0.497 4.847 4.350 0.001 0.000 0.195 528 E C 1.156 177.908 176.600 0.255 0.000 1.029 528 E CA 0.552 57.032 56.400 0.132 0.000 0.948 528 E CB 0.253 30.034 29.700 0.135 0.000 1.082 528 E HN 0.844 nan 8.360 nan 0.000 0.456 529 A N 1.712 124.603 122.820 0.119 0.000 2.371 529 A HA 0.449 4.770 4.320 0.001 0.000 0.257 529 A C 0.324 177.930 177.584 0.037 0.000 1.089 529 A CA -0.118 52.016 52.037 0.162 0.000 0.794 529 A CB 0.560 19.596 19.000 0.060 0.000 1.029 529 A HN 0.007 nan 8.150 nan 0.000 0.488 530 R N 1.237 121.794 120.500 0.095 0.000 2.698 530 R HA 0.425 4.766 4.340 0.001 0.000 0.275 530 R C -0.230 176.236 176.300 0.277 0.000 1.001 530 R CA -0.355 55.738 56.100 -0.012 0.000 0.896 530 R CB 1.444 31.282 30.300 -0.771 0.000 1.218 530 R HN 0.938 nan 8.270 nan 0.000 0.462 531 S N -0.098 115.900 115.700 0.498 0.000 2.559 531 S HA -0.061 4.410 4.470 0.001 0.000 0.282 531 S C 0.403 175.234 174.600 0.385 0.000 1.336 531 S CA 0.092 58.524 58.200 0.387 0.000 1.037 531 S CB 0.447 63.869 63.200 0.369 0.000 0.853 531 S HN 0.550 nan 8.310 nan 0.000 0.523 532 D N 0.535 121.140 120.400 0.343 0.000 2.218 532 D HA -0.051 4.589 4.640 0.001 0.000 0.204 532 D C 1.681 178.118 176.300 0.228 0.000 0.976 532 D CA 0.826 55.028 54.000 0.337 0.000 0.853 532 D CB -0.195 40.844 40.800 0.400 0.000 0.939 532 D HN 0.445 nan 8.370 nan 0.000 0.481 533 L N -0.384 120.948 121.223 0.181 0.000 1.989 533 L HA -0.110 4.230 4.340 0.001 0.000 0.211 533 L C 1.919 178.859 176.870 0.117 0.000 1.071 533 L CA 1.655 56.536 54.840 0.068 0.000 0.749 533 L CB -0.675 41.437 42.059 0.087 0.000 0.890 533 L HN 0.278 nan 8.230 nan 0.000 0.431 534 W N 0.442 121.744 121.300 0.003 0.000 2.335 534 W HA -0.269 4.391 4.660 0.000 0.000 0.311 534 W C 2.564 179.173 176.519 0.151 0.000 1.213 534 W CA 2.245 59.605 57.345 0.025 0.000 1.274 534 W CB -0.333 29.025 29.460 -0.170 0.000 1.148 534 W HN 0.272 nan 8.180 nan 0.000 0.498 535 Q N -0.347 119.740 119.800 0.479 0.000 2.062 535 Q HA -0.290 4.051 4.340 0.001 0.000 0.209 535 Q C 2.137 178.395 176.000 0.430 0.000 0.996 535 Q CA 2.039 58.147 55.803 0.508 0.000 0.859 535 Q CB -0.812 28.380 28.738 0.757 0.000 0.920 535 Q HN 0.271 nan 8.270 nan 0.000 0.415 536 L N 0.262 121.639 121.223 0.257 0.000 1.961 536 L HA -0.216 4.124 4.340 0.001 0.000 0.210 536 L C 2.355 179.287 176.870 0.104 0.000 1.072 536 L CA 1.821 56.775 54.840 0.191 0.000 0.749 536 L CB -0.990 41.030 42.059 -0.066 0.000 0.889 536 L HN 0.345 nan 8.230 nan 0.000 0.432 537 M N -1.308 118.189 119.600 -0.172 0.000 2.082 537 M HA -0.272 4.208 4.480 0.001 0.000 0.258 537 M C 2.188 178.479 176.300 -0.014 0.000 1.069 537 M CA 2.029 57.140 55.300 -0.316 0.000 1.102 537 M CB -0.842 31.434 32.600 -0.539 0.000 1.336 537 M HN 0.218 nan 8.290 nan 0.000 0.404 538 E N 0.715 120.764 120.200 -0.252 0.000 2.077 538 E HA -0.188 4.163 4.350 0.001 0.000 0.193 538 E C 1.658 177.989 176.600 -0.448 0.000 0.989 538 E CA 1.248 57.376 56.400 -0.453 0.000 0.800 538 E CB -0.413 28.660 29.700 -1.046 0.000 0.746 538 E HN 0.401 nan 8.360 nan 0.000 0.452 539 F N 0.337 119.921 119.950 -0.610 0.000 2.408 539 F HA -0.053 4.474 4.527 0.000 0.000 0.300 539 F C 2.024 177.810 175.800 -0.024 0.000 1.090 539 F CA 1.013 58.665 58.000 -0.580 0.000 1.427 539 F CB -0.362 38.575 39.000 -0.104 0.000 1.070 539 F HN -0.034 nan 8.300 nan 0.000 0.549 540 S N 0.312 116.004 115.700 -0.014 0.000 2.345 540 S HA -0.159 4.312 4.470 0.001 0.000 0.219 540 S C 1.716 176.322 174.600 0.010 0.000 1.031 540 S CA 1.034 59.267 58.200 0.055 0.000 0.984 540 S CB -0.209 63.231 63.200 0.400 0.000 0.874 540 S HN 0.352 nan 8.310 nan 0.000 0.451 541 K N 0.538 120.855 120.400 -0.139 0.000 2.588 541 K HA -0.103 4.217 4.320 0.001 0.000 0.196 541 K C 1.702 178.169 176.600 -0.221 0.000 1.044 541 K CA 0.730 56.844 56.287 -0.288 0.000 0.934 541 K CB -0.048 32.151 32.500 -0.502 0.000 0.773 541 K HN 0.037 nan 8.250 nan 0.000 0.489 542 R N -0.687 119.679 120.500 -0.223 0.000 2.225 542 R HA 0.159 4.499 4.340 0.001 0.000 0.194 542 R C -0.114 175.867 176.300 -0.532 0.000 0.957 542 R CA 0.407 56.256 56.100 -0.418 0.000 1.042 542 R CB 0.418 30.300 30.300 -0.696 0.000 1.004 542 R HN -0.042 nan 8.270 nan 0.000 0.509 543 F N -1.218 118.602 119.950 -0.218 0.000 2.440 543 F HA 0.472 4.999 4.527 0.001 0.000 0.328 543 F C 0.666 176.356 175.800 -0.184 0.000 1.070 543 F CA -0.737 57.165 58.000 -0.163 0.000 1.011 543 F CB 1.468 40.419 39.000 -0.082 0.000 1.226 543 F HN -0.330 nan 8.300 nan 0.000 0.491 544 T N -0.524 114.026 114.554 -0.006 0.000 2.887 544 T HA 0.277 4.627 4.350 0.001 0.000 0.288 544 T C 0.916 175.488 174.700 -0.214 0.000 1.021 544 T CA -0.408 61.623 62.100 -0.115 0.000 1.000 544 T CB 1.212 70.024 68.868 -0.094 0.000 1.034 544 T HN 0.756 nan 8.240 nan 0.000 0.467 545 T N 1.982 116.328 114.554 -0.347 0.000 2.822 545 T HA -0.120 4.230 4.350 0.001 0.000 0.270 545 T C 0.977 175.543 174.700 -0.223 0.000 1.064 545 T CA 1.212 62.974 62.100 -0.564 0.000 1.131 545 T CB -0.274 68.287 68.868 -0.512 0.000 0.858 545 T HN 0.610 nan 8.240 nan 0.000 0.483 546 D N 1.398 121.739 120.400 -0.099 0.000 1.825 546 D HA 0.019 4.659 4.640 0.001 0.000 0.312 546 D C 1.704 178.006 176.300 0.003 0.000 1.066 546 D CA 0.328 54.322 54.000 -0.010 0.000 0.826 546 D CB -0.721 40.071 40.800 -0.013 0.000 1.144 546 D HN 0.313 nan 8.370 nan 0.000 0.392 547 E N -1.038 119.168 120.200 0.010 0.000 2.980 547 E HA -0.322 4.029 4.350 0.001 0.000 0.225 547 E C 1.747 178.401 176.600 0.090 0.000 0.998 547 E CA 3.111 59.535 56.400 0.040 0.000 1.773 547 E CB -0.423 29.301 29.700 0.039 0.000 1.664 547 E HN 0.232 nan 8.360 nan 0.000 0.401 548 V N -2.230 117.745 119.914 0.101 0.000 3.085 548 V HA 0.063 4.183 4.120 0.001 0.000 0.245 548 V C 0.725 177.015 176.094 0.328 0.000 1.114 548 V CA 0.399 62.810 62.300 0.185 0.000 1.108 548 V CB -0.186 31.758 31.823 0.202 0.000 0.798 548 V HN 0.185 nan 8.190 nan 0.000 0.471 549 W N 1.955 123.280 121.300 0.042 0.000 2.303 549 W HA 0.490 5.151 4.660 0.001 0.000 0.334 549 W C -2.243 174.293 176.519 0.029 0.000 1.197 549 W CA -2.990 54.367 57.345 0.021 0.000 1.262 549 W CB -0.619 28.833 29.460 -0.014 0.000 1.153 549 W HN 0.002 nan 8.180 nan 0.000 0.596 550 P HA 0.017 nan 4.420 nan 0.000 0.271 550 P C 0.477 177.860 177.300 0.137 0.000 1.216 550 P CA 0.261 63.440 63.100 0.132 0.000 0.776 550 P CB 0.943 32.686 31.700 0.071 0.000 0.881 551 E N 2.405 122.669 120.200 0.107 0.000 2.118 551 E HA -0.221 4.129 4.350 0.001 0.000 0.195 551 E C 1.293 177.945 176.600 0.087 0.000 0.992 551 E CA 1.183 57.641 56.400 0.097 0.000 0.804 551 E CB -0.263 29.479 29.700 0.070 0.000 0.741 551 E HN 0.559 nan 8.360 nan 0.000 0.458 552 E N 1.174 121.414 120.200 0.066 0.000 2.021 552 E HA -0.218 4.132 4.350 0.001 0.000 0.200 552 E C 2.320 178.958 176.600 0.063 0.000 1.015 552 E CA 1.412 57.844 56.400 0.053 0.000 0.824 552 E CB -0.397 29.324 29.700 0.036 0.000 0.762 552 E HN 0.278 nan 8.360 nan 0.000 0.454 553 I N 1.385 121.988 120.570 0.055 0.000 2.185 553 I HA -0.333 3.838 4.170 0.001 0.000 0.246 553 I C 2.525 178.724 176.117 0.137 0.000 1.088 553 I CA 1.129 62.458 61.300 0.049 0.000 1.347 553 I CB -0.299 37.678 38.000 -0.038 0.000 1.041 553 I HN 0.136 nan 8.210 nan 0.000 0.415 554 L N 0.118 121.451 121.223 0.183 0.000 1.970 554 L HA -0.265 4.075 4.340 0.001 0.000 0.212 554 L C 2.899 179.864 176.870 0.159 0.000 1.071 554 L CA 2.096 57.070 54.840 0.224 0.000 0.751 554 L CB -1.075 41.098 42.059 0.190 0.000 0.889 554 L HN 0.454 nan 8.230 nan 0.000 0.432 555 S N 0.626 116.392 115.700 0.109 0.000 2.390 555 S HA -0.345 4.126 4.470 0.001 0.000 0.234 555 S C 2.146 176.793 174.600 0.079 0.000 1.063 555 S CA 1.705 59.952 58.200 0.078 0.000 1.108 555 S CB -0.708 62.527 63.200 0.059 0.000 0.975 555 S HN 0.413 nan 8.310 nan 0.000 0.442 556 A N 1.921 124.792 122.820 0.086 0.000 1.940 556 A HA 0.435 4.755 4.320 0.001 0.000 0.219 556 A C 1.491 179.138 177.584 0.105 0.000 1.176 556 A CA 1.467 53.553 52.037 0.081 0.000 0.631 556 A CB -0.913 18.131 19.000 0.073 0.000 0.814 556 A HN 1.525 nan 8.150 nan 0.000 0.446 557 A N -1.139 121.783 122.820 0.169 0.000 2.605 557 A HA 0.599 4.919 4.320 0.001 0.000 0.293 557 A C -1.594 176.077 177.584 0.146 0.000 1.216 557 A CA -1.217 50.925 52.037 0.175 0.000 0.742 557 A CB 0.808 20.010 19.000 0.337 0.000 1.170 557 A HN 0.081 nan 8.150 nan 0.000 0.443 558 P HA -0.210 nan 4.420 nan 0.000 0.215 558 P C 0.949 178.226 177.300 -0.037 0.000 1.163 558 P CA 1.973 65.084 63.100 0.017 0.000 0.894 558 P CB 0.072 31.765 31.700 -0.011 0.000 0.791 559 A N -0.555 122.167 122.820 -0.164 0.000 2.770 559 A HA 0.125 4.445 4.320 0.001 0.000 0.292 559 A C -0.568 176.699 177.584 -0.529 0.000 1.604 559 A CA 0.309 52.169 52.037 -0.295 0.000 1.271 559 A CB -2.064 16.721 19.000 -0.358 0.000 1.075 559 A HN 0.375 nan 8.150 nan 0.000 0.573 560 Y N -0.052 120.253 120.300 0.009 0.000 3.513 560 Y HA 0.014 4.565 4.550 0.001 0.000 0.188 560 Y C 0.127 176.008 175.900 -0.032 0.000 0.543 560 Y CA -0.606 57.491 58.100 -0.005 0.000 1.090 560 Y CB -0.431 38.161 38.460 0.220 0.000 1.081 560 Y HN 0.658 nan 8.280 nan 0.000 0.541 561 R N 0.673 121.204 120.500 0.051 0.000 2.569 561 R HA 0.555 4.895 4.340 0.001 0.000 0.293 561 R C 0.470 176.755 176.300 -0.026 0.000 1.186 561 R CA 0.138 56.248 56.100 0.017 0.000 0.956 561 R CB 1.779 32.098 30.300 0.031 0.000 1.196 561 R HN 0.495 nan 8.270 nan 0.000 0.444 562 G N 2.413 111.182 108.800 -0.052 0.000 3.076 562 G HA2 -0.347 3.613 3.960 0.001 0.000 0.256 562 G HA3 -0.347 3.613 3.960 0.001 0.000 0.256 562 G C 0.321 175.168 174.900 -0.087 0.000 1.589 562 G CA 0.152 45.216 45.100 -0.061 0.000 1.044 562 G HN 0.511 nan 8.290 nan 0.000 0.563 563 K N -0.208 120.149 120.400 -0.071 0.000 11.155 563 K HA -0.340 3.980 4.320 0.001 0.000 0.529 563 K C 1.115 177.666 176.600 -0.080 0.000 0.388 563 K CA 4.344 60.585 56.287 -0.076 0.000 1.934 563 K CB -2.310 30.135 32.500 -0.091 0.000 0.783 563 K HN 3.003 nan 8.250 nan 0.000 1.245 564 T N -2.130 112.346 114.554 -0.130 0.000 0.554 564 T HA -0.117 4.233 4.350 0.001 0.000 0.772 564 T C -0.138 174.494 174.700 -0.114 0.000 0.992 564 T CA 0.448 62.484 62.100 -0.107 0.000 4.069 564 T CB -1.534 67.297 68.868 -0.061 0.000 2.299 564 T HN 0.327 nan 8.240 nan 0.000 0.397 565 L N 4.764 125.893 121.223 -0.156 0.000 2.742 565 L HA 0.430 4.770 4.340 0.001 0.000 0.275 565 L C 1.183 178.026 176.870 -0.044 0.000 1.141 565 L CA 0.833 55.541 54.840 -0.220 0.000 0.987 565 L CB -0.712 41.184 42.059 -0.270 0.000 1.319 565 L HN 0.819 nan 8.230 nan 0.000 0.478 566 F N 0.130 119.900 119.950 -0.301 0.000 1.692 566 F HA -0.180 4.347 4.527 0.001 0.000 0.287 566 F C 1.637 177.321 175.800 -0.193 0.000 1.241 566 F CA 0.299 58.193 58.000 -0.176 0.000 1.255 566 F CB -0.124 38.843 39.000 -0.053 0.000 2.008 566 F HN 0.338 nan 8.300 nan 0.000 0.119 567 E N 0.769 121.012 120.200 0.071 0.000 2.051 567 E HA -0.128 4.222 4.350 0.001 0.000 0.192 567 E C 1.810 178.314 176.600 -0.161 0.000 0.991 567 E CA 1.836 58.216 56.400 -0.032 0.000 0.799 567 E CB -0.172 29.534 29.700 0.009 0.000 0.748 567 E HN 0.368 nan 8.360 nan 0.000 0.449 568 V N 1.243 121.058 119.914 -0.166 0.000 2.667 568 V HA -0.167 3.953 4.120 0.001 0.000 0.252 568 V C 2.035 177.943 176.094 -0.311 0.000 1.065 568 V CA 1.251 63.464 62.300 -0.144 0.000 1.083 568 V CB -0.211 31.521 31.823 -0.152 0.000 0.692 568 V HN 0.233 nan 8.190 nan 0.000 0.468 569 L N -2.558 118.306 121.223 -0.597 0.000 2.500 569 L HA 0.251 4.591 4.340 0.001 0.000 0.219 569 L C 1.642 177.765 176.870 -1.245 0.000 1.057 569 L CA 0.878 55.084 54.840 -1.056 0.000 0.854 569 L CB 0.110 41.208 42.059 -1.602 0.000 1.078 569 L HN 0.285 nan 8.230 nan 0.000 0.480 570 F N -1.071 118.506 119.950 -0.622 0.000 2.817 570 F HA 0.362 4.890 4.527 0.000 0.000 0.333 570 F C 1.241 176.520 175.800 -0.869 0.000 1.085 570 F CA -0.150 57.409 58.000 -0.735 0.000 1.170 570 F CB 0.481 38.915 39.000 -0.944 0.000 1.066 570 F HN -0.131 nan 8.300 nan 0.000 0.564 571 A N 0.000 122.450 122.820 -0.618 0.000 2.911 571 A HA 0.323 4.644 4.320 0.001 0.000 0.304 571 A C 0.786 178.176 177.584 -0.324 0.000 1.144 571 A CA -0.177 51.550 52.037 -0.516 0.000 0.988 571 A CB -0.597 18.233 19.000 -0.283 0.000 1.141 571 A HN 0.075 nan 8.150 nan 0.000 0.552 572 N N 0.709 119.226 118.700 -0.305 0.000 2.459 572 N HA 0.026 4.766 4.740 0.001 0.000 0.181 572 N C 1.470 176.881 175.510 -0.165 0.000 1.046 572 N CA 1.489 54.427 53.050 -0.186 0.000 0.904 572 N CB 0.112 38.511 38.487 -0.147 0.000 0.964 572 N HN 0.869 nan 8.380 nan 0.000 0.444 573 G N -1.052 107.613 108.800 -0.225 0.000 2.157 573 G HA2 -0.285 3.675 3.960 0.001 0.000 0.248 573 G HA3 -0.285 3.675 3.960 0.001 0.000 0.248 573 G C 0.932 175.721 174.900 -0.186 0.000 0.979 573 G CA 0.912 45.895 45.100 -0.195 0.000 0.650 573 G HN 0.470 nan 8.290 nan 0.000 0.529 574 S N -1.566 114.028 115.700 -0.176 0.000 2.655 574 S HA 0.257 4.728 4.470 0.001 0.000 0.231 574 S C 2.291 176.811 174.600 -0.133 0.000 1.044 574 S CA 1.567 59.692 58.200 -0.126 0.000 0.910 574 S CB 0.067 63.237 63.200 -0.049 0.000 0.833 574 S HN 0.581 nan 8.310 nan 0.000 0.581 575 V N 2.682 122.511 119.914 -0.142 0.000 2.871 575 V HA 0.004 4.125 4.120 0.001 0.000 0.256 575 V C 1.280 177.242 176.094 -0.221 0.000 1.082 575 V CA 1.765 64.007 62.300 -0.096 0.000 1.105 575 V CB -0.652 31.128 31.823 -0.072 0.000 0.713 575 V HN 0.454 nan 8.190 nan 0.000 0.473 576 D N -0.363 119.766 120.400 -0.453 0.000 2.347 576 D HA -0.030 4.610 4.640 0.001 0.000 0.213 576 D C 2.047 178.210 176.300 -0.229 0.000 0.985 576 D CA 0.161 53.843 54.000 -0.531 0.000 0.879 576 D CB -0.308 40.160 40.800 -0.553 0.000 0.919 576 D HN 0.238 nan 8.370 nan 0.000 0.526 577 R N -0.054 120.255 120.500 -0.319 0.000 2.224 577 R HA -0.198 4.143 4.340 0.001 0.000 0.255 577 R C -0.134 175.835 176.300 -0.552 0.000 1.130 577 R CA 1.199 56.977 56.100 -0.538 0.000 0.957 577 R CB -0.245 29.517 30.300 -0.898 0.000 0.907 577 R HN 0.152 nan 8.270 nan 0.000 0.446 578 F N 1.503 121.474 119.950 0.035 0.000 2.420 578 F HA 0.399 4.927 4.527 0.001 0.000 0.342 578 F C -1.670 174.233 175.800 0.171 0.000 1.113 578 F CA -3.049 55.005 58.000 0.091 0.000 1.059 578 F CB 1.033 40.074 39.000 0.068 0.000 1.128 578 F HN 0.050 nan 8.300 nan 0.000 0.475 579 P HA 0.064 nan 4.420 nan 0.000 0.272 579 P C 0.102 177.511 177.300 0.181 0.000 1.240 579 P CA -0.194 63.033 63.100 0.212 0.000 0.791 579 P CB 0.998 32.781 31.700 0.139 0.000 0.978 580 A N 0.823 123.707 122.820 0.107 0.000 2.225 580 A HA -0.057 4.263 4.320 0.001 0.000 0.215 580 A C 1.642 179.191 177.584 -0.060 0.000 1.164 580 A CA 1.295 53.335 52.037 0.006 0.000 0.710 580 A CB -0.964 18.040 19.000 0.006 0.000 0.780 580 A HN 0.672 nan 8.150 nan 0.000 0.473 581 S N -1.024 114.675 115.700 -0.002 0.000 2.397 581 S HA 0.294 4.765 4.470 0.001 0.000 0.261 581 S C 0.478 175.067 174.600 -0.019 0.000 1.187 581 S CA 0.544 58.736 58.200 -0.014 0.000 1.023 581 S CB 0.192 63.410 63.200 0.031 0.000 1.103 581 S HN 0.401 nan 8.310 nan 0.000 0.474 582 D N -1.368 119.056 120.400 0.040 0.000 2.955 582 D HA -0.124 4.517 4.640 0.001 0.000 0.226 582 D C -0.367 175.942 176.300 0.015 0.000 1.178 582 D CA 1.025 55.091 54.000 0.110 0.000 0.808 582 D CB -1.270 39.681 40.800 0.251 0.000 1.099 582 D HN 0.292 nan 8.370 nan 0.000 0.421 583 V N 0.636 120.450 119.914 -0.167 0.000 2.771 583 V HA 0.190 4.311 4.120 0.001 0.000 0.355 583 V C -0.089 175.909 176.094 -0.161 0.000 1.289 583 V CA -0.140 61.943 62.300 -0.362 0.000 1.231 583 V CB 0.167 31.549 31.823 -0.735 0.000 1.396 583 V HN 0.482 nan 8.190 nan 0.000 0.628 584 N N 1.765 120.440 118.700 -0.040 0.000 2.621 584 N HA -0.142 4.598 4.740 0.001 0.000 0.291 584 N C -1.914 173.545 175.510 -0.084 0.000 1.580 584 N CA 0.783 53.804 53.050 -0.047 0.000 1.058 584 N CB 0.487 38.897 38.487 -0.128 0.000 0.975 584 N HN 0.241 nan 8.380 nan 0.000 0.477 585 P HA -0.173 nan 4.420 nan 0.000 0.217 585 P C -0.089 177.142 177.300 -0.116 0.000 1.162 585 P CA 1.539 64.593 63.100 -0.076 0.000 0.901 585 P CB 0.043 31.710 31.700 -0.055 0.000 0.793 586 D N -1.053 119.253 120.400 -0.157 0.000 2.371 586 D HA 0.056 4.696 4.640 0.001 0.000 0.242 586 D C 0.067 176.179 176.300 -0.314 0.000 1.218 586 D CA 0.286 54.105 54.000 -0.301 0.000 0.945 586 D CB -0.126 40.397 40.800 -0.461 0.000 1.137 586 D HN 0.313 nan 8.370 nan 0.000 0.464 587 H N -1.775 117.173 119.070 -0.204 0.000 4.237 587 H HA -0.033 4.523 4.556 0.001 0.000 0.290 587 H C -0.666 174.555 175.328 -0.179 0.000 0.689 587 H CA 0.502 56.413 56.048 -0.228 0.000 0.817 587 H CB -1.119 28.364 29.762 -0.465 0.000 1.217 587 H HN 0.617 nan 8.280 nan 0.000 0.320 588 A N 2.754 125.571 122.820 -0.005 0.000 2.248 588 A HA 0.612 4.932 4.320 0.001 0.000 0.316 588 A C 0.615 178.197 177.584 -0.004 0.000 1.101 588 A CA -0.263 51.756 52.037 -0.030 0.000 0.875 588 A CB 1.146 20.125 19.000 -0.035 0.000 1.207 588 A HN 0.637 nan 8.150 nan 0.000 0.504 589 N N -0.559 118.130 118.700 -0.018 0.000 2.701 589 N HA 0.045 4.785 4.740 0.001 0.000 0.258 589 N C 0.501 176.013 175.510 0.003 0.000 1.262 589 N CA -0.327 52.729 53.050 0.011 0.000 0.780 589 N CB 0.468 38.913 38.487 -0.070 0.000 1.380 589 N HN 0.812 nan 8.380 nan 0.000 0.548 590 H N 2.008 121.008 119.070 -0.117 0.000 2.426 590 H HA -0.075 4.481 4.556 0.000 0.000 0.298 590 H C 0.070 175.255 175.328 -0.237 0.000 1.107 590 H CA 1.537 57.476 56.048 -0.183 0.000 1.298 590 H CB 0.134 29.768 29.762 -0.213 0.000 1.377 590 H HN 0.491 nan 8.280 nan 0.000 0.519 591 E N 0.492 120.337 120.200 -0.592 0.000 2.511 591 E HA 0.201 4.551 4.350 0.001 0.000 0.196 591 E C 1.793 178.200 176.600 -0.321 0.000 1.066 591 E CA 0.614 56.695 56.400 -0.532 0.000 0.871 591 E CB 0.272 29.764 29.700 -0.347 0.000 0.863 591 E HN 0.664 nan 8.360 nan 0.000 0.520 592 A N 0.379 123.064 122.820 -0.224 0.000 2.259 592 A HA 0.476 4.796 4.320 0.001 0.000 0.213 592 A C 2.057 179.558 177.584 -0.139 0.000 1.209 592 A CA 0.499 52.447 52.037 -0.147 0.000 0.910 592 A CB 0.202 19.130 19.000 -0.120 0.000 0.946 592 A HN 0.242 nan 8.150 nan 0.000 0.497 593 A N 0.035 122.759 122.820 -0.160 0.000 1.930 593 A HA 0.374 4.694 4.320 0.001 0.000 0.215 593 A C 0.933 178.436 177.584 -0.135 0.000 1.176 593 A CA 0.418 52.386 52.037 -0.116 0.000 0.632 593 A CB -0.354 18.586 19.000 -0.100 0.000 0.819 593 A HN 0.414 nan 8.150 nan 0.000 0.445 594 L N -0.290 120.773 121.223 -0.266 0.000 2.375 594 L HA 0.535 4.875 4.340 0.001 0.000 0.271 594 L C -0.610 176.039 176.870 -0.369 0.000 1.107 594 L CA -0.678 53.964 54.840 -0.329 0.000 0.806 594 L CB 0.215 41.967 42.059 -0.512 0.000 1.146 594 L HN 0.340 nan 8.230 nan 0.000 0.447 595 F N -0.065 119.857 119.950 -0.048 0.000 2.183 595 F HA -0.145 4.382 4.527 0.000 0.000 0.318 595 F C 1.004 176.728 175.800 -0.127 0.000 1.277 595 F CA 0.280 58.191 58.000 -0.147 0.000 0.914 595 F CB -1.214 37.431 39.000 -0.591 0.000 4.133 595 F HN 0.660 nan 8.300 nan 0.000 0.140 596 G N -0.345 108.604 108.800 0.248 0.000 3.126 596 G HA2 0.388 4.348 3.960 0.001 0.000 0.224 596 G HA3 0.388 4.348 3.960 0.001 0.000 0.224 596 G C 0.261 175.349 174.900 0.313 0.000 1.142 596 G CA 0.423 45.672 45.100 0.249 0.000 0.759 596 G HN 0.470 nan 8.290 nan 0.000 0.550 597 F N -1.138 118.915 119.950 0.172 0.000 2.484 597 F HA 0.701 5.228 4.527 0.000 0.000 0.260 597 F C -0.193 175.740 175.800 0.223 0.000 0.995 597 F CA -3.127 54.968 58.000 0.158 0.000 1.075 597 F CB 0.023 39.086 39.000 0.104 0.000 2.044 597 F HN -0.129 nan 8.300 nan 0.000 0.607 598 Y N 2.098 122.547 120.300 0.248 0.000 2.541 598 Y HA 0.450 5.000 4.550 0.001 0.000 0.350 598 Y C -2.509 173.400 175.900 0.014 0.000 1.075 598 Y CA -4.136 53.984 58.100 0.034 0.000 1.302 598 Y CB 0.329 38.803 38.460 0.024 0.000 1.094 598 Y HN 0.126 nan 8.280 nan 0.000 0.579 599 P HA -0.283 nan 4.420 nan 0.000 0.214 599 P C 1.562 178.646 177.300 -0.360 0.000 1.172 599 P CA 2.671 65.741 63.100 -0.050 0.000 0.925 599 P CB 0.323 31.952 31.700 -0.118 0.000 0.793 600 Q N 0.415 119.778 119.800 -0.728 0.000 2.029 600 Q HA -0.256 4.085 4.340 0.001 0.000 0.209 600 Q C 2.154 177.505 176.000 -1.082 0.000 0.999 600 Q CA 1.855 56.831 55.803 -1.380 0.000 0.857 600 Q CB -1.345 26.349 28.738 -1.740 0.000 0.926 600 Q HN 0.316 nan 8.270 nan 0.000 0.415 601 K N 0.799 120.207 120.400 -1.655 0.000 2.020 601 K HA -0.148 4.173 4.320 0.001 0.000 0.212 601 K C 2.295 178.495 176.600 -0.667 0.000 1.050 601 K CA 1.621 56.781 56.287 -1.879 0.000 0.929 601 K CB -0.600 30.489 32.500 -2.351 0.000 0.714 601 K HN 0.352 nan 8.250 nan 0.000 0.443 602 G N 1.075 109.738 108.800 -0.228 0.000 2.459 602 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 602 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 602 G C 1.448 176.446 174.900 0.163 0.000 1.183 602 G CA 1.077 46.286 45.100 0.183 0.000 0.776 602 G HN 0.203 nan 8.290 nan 0.000 0.552 603 L N -0.796 120.501 121.223 0.123 0.000 2.017 603 L HA 0.044 4.384 4.340 0.001 0.000 0.208 603 L C 2.489 179.515 176.870 0.260 0.000 1.073 603 L CA 1.177 56.200 54.840 0.304 0.000 0.745 603 L CB -0.579 41.684 42.059 0.340 0.000 0.894 603 L HN 0.212 nan 8.230 nan 0.000 0.432 604 F N 0.708 120.752 119.950 0.158 0.000 2.046 604 F HA -0.258 4.269 4.527 0.000 0.000 0.297 604 F C 2.643 178.582 175.800 0.232 0.000 1.123 604 F CA 1.811 59.998 58.000 0.311 0.000 1.199 604 F CB -0.226 39.109 39.000 0.558 0.000 0.972 604 F HN 0.054 nan 8.300 nan 0.000 0.474 605 E N 0.235 120.578 120.200 0.239 0.000 2.153 605 E HA -0.249 4.101 4.350 0.001 0.000 0.194 605 E C 2.133 178.788 176.600 0.092 0.000 0.988 605 E CA 1.319 57.818 56.400 0.164 0.000 0.811 605 E CB -0.452 29.410 29.700 0.269 0.000 0.746 605 E HN 0.667 nan 8.360 nan 0.000 0.466 606 E N 0.013 120.302 120.200 0.148 0.000 2.006 606 E HA -0.209 4.141 4.350 0.001 0.000 0.192 606 E C 2.165 178.843 176.600 0.131 0.000 0.993 606 E CA 0.784 57.298 56.400 0.189 0.000 0.808 606 E CB -0.375 29.535 29.700 0.350 0.000 0.764 606 E HN 0.222 nan 8.360 nan 0.000 0.449 607 Y N 1.109 121.261 120.300 -0.245 0.000 2.228 607 Y HA -0.286 4.265 4.550 0.000 0.000 0.285 607 Y C 1.891 177.646 175.900 -0.242 0.000 1.178 607 Y CA 1.781 59.514 58.100 -0.612 0.000 1.202 607 Y CB -0.684 36.813 38.460 -1.605 0.000 0.974 607 Y HN 0.167 nan 8.280 nan 0.000 0.527 608 A N 0.710 123.202 122.820 -0.547 0.000 1.972 608 A HA -0.062 4.258 4.320 0.001 0.000 0.219 608 A C 2.405 179.810 177.584 -0.298 0.000 1.169 608 A CA 1.622 53.322 52.037 -0.562 0.000 0.635 608 A CB -1.418 17.347 19.000 -0.391 0.000 0.810 608 A HN 0.689 nan 8.150 nan 0.000 0.446 609 A N -1.645 121.077 122.820 -0.164 0.000 2.172 609 A HA 0.122 4.442 4.320 0.001 0.000 0.216 609 A C 1.728 179.200 177.584 -0.187 0.000 1.154 609 A CA 0.943 52.900 52.037 -0.134 0.000 0.701 609 A CB -0.699 18.215 19.000 -0.143 0.000 0.789 609 A HN 0.458 nan 8.150 nan 0.000 0.465 610 F N 0.211 119.979 119.950 -0.304 0.000 2.206 610 F HA 0.106 4.634 4.527 0.000 0.000 0.298 610 F C 2.039 177.698 175.800 -0.236 0.000 1.090 610 F CA 0.784 58.603 58.000 -0.302 0.000 1.323 610 F CB -0.477 38.288 39.000 -0.391 0.000 1.028 610 F HN 0.286 nan 8.300 nan 0.000 0.492 611 G N -1.351 107.396 108.800 -0.088 0.000 2.695 611 G HA2 0.485 4.445 3.960 0.001 0.000 0.213 611 G HA3 0.485 4.445 3.960 0.001 0.000 0.213 611 G C -0.618 174.354 174.900 0.120 0.000 1.406 611 G CA -0.706 44.401 45.100 0.010 0.000 1.049 611 G HN 0.112 nan 8.290 nan 0.000 0.573 612 R N -1.121 119.436 120.500 0.094 0.000 2.022 612 R HA -0.100 4.240 4.340 0.001 0.000 0.372 612 R C 0.650 176.998 176.300 0.080 0.000 1.161 612 R CA 0.591 56.744 56.100 0.089 0.000 0.928 612 R CB -1.603 28.724 30.300 0.046 0.000 2.817 612 R HN 2.317 nan 8.270 nan 0.000 0.489 613 G N 1.595 110.432 108.800 0.061 0.000 3.050 613 G HA2 -0.294 3.667 3.960 0.001 0.000 0.234 613 G HA3 -0.294 3.667 3.960 0.001 0.000 0.234 613 G C -0.800 174.060 174.900 -0.067 0.000 1.521 613 G CA 0.031 45.059 45.100 -0.120 0.000 1.090 613 G HN 0.854 nan 8.290 nan 0.000 0.556 614 H N 2.718 121.839 119.070 0.086 0.000 3.299 614 H HA 0.382 4.938 4.556 0.000 0.000 0.225 614 H C 1.747 177.014 175.328 -0.102 0.000 0.834 614 H CA 1.153 57.222 56.048 0.035 0.000 1.370 614 H CB -0.773 29.033 29.762 0.073 0.000 1.526 614 H HN 1.945 nan 8.280 nan 0.000 0.504 615 G N 2.953 111.462 108.800 -0.484 0.000 2.596 615 G HA2 -0.479 3.482 3.960 0.001 0.000 0.421 615 G HA3 -0.479 3.482 3.960 0.001 0.000 0.421 615 G C 0.439 175.120 174.900 -0.364 0.000 1.364 615 G CA 0.619 45.267 45.100 -0.753 0.000 0.954 615 G HN 1.047 nan 8.290 nan 0.000 0.524 616 H N -0.021 118.944 119.070 -0.175 0.000 2.814 616 H HA -0.173 4.383 4.556 0.001 0.000 0.313 616 H C 0.491 175.644 175.328 -0.292 0.000 1.027 616 H CA 1.375 57.126 56.048 -0.495 0.000 1.180 616 H CB -1.856 27.568 29.762 -0.563 0.000 1.366 616 H HN 0.626 nan 8.280 nan 0.000 0.364 617 D N 1.033 121.454 120.400 0.035 0.000 2.426 617 D HA 0.162 4.802 4.640 0.001 0.000 0.261 617 D C 0.718 177.110 176.300 0.153 0.000 1.245 617 D CA 0.307 54.369 54.000 0.103 0.000 0.917 617 D CB 0.505 41.416 40.800 0.186 0.000 1.123 617 D HN 0.236 nan 8.370 nan 0.000 0.508 618 L N 2.013 123.299 121.223 0.104 0.000 2.360 618 L HA 0.590 4.930 4.340 0.001 0.000 0.271 618 L C 0.836 177.895 176.870 0.316 0.000 1.057 618 L CA -1.068 53.940 54.840 0.279 0.000 0.803 618 L CB 1.275 43.450 42.059 0.193 0.000 1.207 618 L HN 0.393 nan 8.230 nan 0.000 0.445 619 A N 3.126 126.181 122.820 0.390 0.000 2.280 619 A HA 0.549 4.869 4.320 0.001 0.000 0.268 619 A C -2.367 175.341 177.584 0.207 0.000 1.111 619 A CA -1.244 50.826 52.037 0.055 0.000 0.814 619 A CB -0.493 18.218 19.000 -0.482 0.000 1.093 619 A HN 0.439 nan 8.150 nan 0.000 0.498 620 P HA 0.095 nan 4.420 nan 0.000 0.268 620 P C 0.567 178.037 177.300 0.284 0.000 1.204 620 P CA -0.074 63.149 63.100 0.204 0.000 0.768 620 P CB 0.190 31.952 31.700 0.103 0.000 0.842 621 F N 4.016 124.185 119.950 0.364 0.000 2.039 621 F HA -0.379 4.148 4.527 0.001 0.000 0.296 621 F C 1.706 177.531 175.800 0.042 0.000 1.119 621 F CA 2.082 60.257 58.000 0.291 0.000 1.211 621 F CB -0.486 38.665 39.000 0.252 0.000 0.956 621 F HN 0.281 nan 8.300 nan 0.000 0.496 622 D N -0.304 120.339 120.400 0.405 0.000 2.172 622 D HA -0.192 4.448 4.640 0.001 0.000 0.196 622 D C 2.275 178.540 176.300 -0.059 0.000 0.999 622 D CA 2.001 56.136 54.000 0.225 0.000 0.856 622 D CB -0.755 40.200 40.800 0.258 0.000 0.934 622 D HN 0.392 nan 8.370 nan 0.000 0.453 623 T N 0.051 114.515 114.554 -0.151 0.000 2.684 623 T HA -0.198 4.152 4.350 0.001 0.000 0.267 623 T C 1.746 176.190 174.700 -0.428 0.000 1.036 623 T CA 0.949 62.886 62.100 -0.273 0.000 1.148 623 T CB -0.541 68.118 68.868 -0.349 0.000 0.863 623 T HN 0.308 nan 8.240 nan 0.000 0.436 624 Y N 0.246 120.149 120.300 -0.662 0.000 2.465 624 Y HA -0.161 4.389 4.550 0.000 0.000 0.289 624 Y C 2.336 177.726 175.900 -0.850 0.000 1.150 624 Y CA 1.176 58.664 58.100 -1.020 0.000 1.293 624 Y CB -0.342 36.803 38.460 -2.192 0.000 0.977 624 Y HN 0.489 nan 8.280 nan 0.000 0.556 625 H N -1.378 117.411 119.070 -0.468 0.000 2.525 625 H HA -0.031 4.526 4.556 0.001 0.000 0.275 625 H C 1.750 177.015 175.328 -0.106 0.000 0.984 625 H CA 0.406 56.302 56.048 -0.253 0.000 1.264 625 H CB 0.437 30.088 29.762 -0.184 0.000 1.432 625 H HN 0.168 nan 8.280 nan 0.000 0.549 626 E N 0.390 120.597 120.200 0.012 0.000 2.400 626 E HA 0.052 4.402 4.350 0.001 0.000 0.195 626 E C -0.062 176.540 176.600 0.003 0.000 1.012 626 E CA 0.202 56.618 56.400 0.027 0.000 0.875 626 E CB 0.816 30.524 29.700 0.015 0.000 0.859 626 E HN 0.134 nan 8.360 nan 0.000 0.498 627 V N 0.448 120.340 119.914 -0.037 0.000 3.046 627 V HA 0.356 4.476 4.120 0.001 0.000 0.316 627 V C 0.053 176.156 176.094 0.015 0.000 1.104 627 V CA -0.909 61.379 62.300 -0.021 0.000 1.006 627 V CB 1.934 33.720 31.823 -0.061 0.000 1.058 627 V HN -0.135 nan 8.190 nan 0.000 0.440 628 R N 2.130 122.651 120.500 0.035 0.000 4.071 628 R HA 0.554 4.895 4.340 0.001 0.000 0.220 628 R C 0.551 176.913 176.300 0.104 0.000 1.614 628 R CA 0.682 56.824 56.100 0.071 0.000 1.505 628 R CB 0.095 30.427 30.300 0.054 0.000 1.384 628 R HN 1.231 nan 8.270 nan 0.000 0.758 629 G N 0.540 109.424 108.800 0.139 0.000 2.785 629 G HA2 -0.229 3.731 3.960 0.001 0.000 0.685 629 G HA3 -0.229 3.731 3.960 0.001 0.000 0.685 629 G C -0.978 173.960 174.900 0.064 0.000 1.480 629 G CA -0.961 44.230 45.100 0.153 0.000 0.915 629 G HN 0.335 nan 8.290 nan 0.000 0.576 630 L N 1.355 122.658 121.223 0.132 0.000 2.464 630 L HA 0.425 4.765 4.340 0.001 0.000 0.266 630 L C -0.314 176.638 176.870 0.137 0.000 0.965 630 L CA -1.323 53.577 54.840 0.099 0.000 0.833 630 L CB 2.370 44.497 42.059 0.113 0.000 1.296 630 L HN 0.795 nan 8.230 nan 0.000 0.405 631 H N 1.186 120.242 119.070 -0.024 0.000 2.683 631 H HA 0.165 4.721 4.556 0.001 0.000 0.339 631 H C -0.597 174.702 175.328 -0.048 0.000 1.081 631 H CA -0.720 55.246 56.048 -0.136 0.000 1.432 631 H CB 0.321 29.903 29.762 -0.300 0.000 1.462 631 H HN 0.537 nan 8.280 nan 0.000 0.557 632 W N 2.195 123.557 121.300 0.104 0.000 2.381 632 W HA 0.391 5.052 4.660 0.001 0.000 0.329 632 W C -2.674 173.846 176.519 0.002 0.000 1.157 632 W CA -3.013 54.380 57.345 0.079 0.000 1.240 632 W CB 0.477 30.000 29.460 0.105 0.000 1.199 632 W HN 0.426 nan 8.180 nan 0.000 0.579 633 P HA -0.037 nan 4.420 nan 0.000 0.250 633 P C -0.098 177.368 177.300 0.277 0.000 1.161 633 P CA 0.304 63.625 63.100 0.368 0.000 0.863 633 P CB -0.057 31.808 31.700 0.274 0.000 0.827 634 V N 5.666 125.741 119.914 0.268 0.000 2.320 634 V HA 0.125 4.246 4.120 0.001 0.000 0.265 634 V C 0.570 176.755 176.094 0.152 0.000 1.048 634 V CA -0.512 61.899 62.300 0.185 0.000 0.865 634 V CB 1.133 33.053 31.823 0.162 0.000 1.043 634 V HN 0.220 nan 8.190 nan 0.000 0.474 635 V N 4.614 124.611 119.914 0.138 0.000 2.347 635 V HA 0.411 4.532 4.120 0.001 0.000 0.280 635 V C 0.659 176.786 176.094 0.055 0.000 1.021 635 V CA -0.477 61.886 62.300 0.105 0.000 0.847 635 V CB 0.878 32.766 31.823 0.107 0.000 0.990 635 V HN 1.017 nan 8.190 nan 0.000 0.444 636 E N 3.655 123.878 120.200 0.039 0.000 2.513 636 E HA -0.250 4.101 4.350 0.001 0.000 0.257 636 E C 1.166 177.776 176.600 0.017 0.000 1.098 636 E CA 0.578 56.990 56.400 0.020 0.000 0.752 636 E CB -1.248 28.457 29.700 0.009 0.000 1.324 636 E HN 1.511 nan 8.360 nan 0.000 0.403 637 G N 0.277 109.085 108.800 0.014 0.000 2.168 637 G HA2 -0.334 3.626 3.960 0.001 0.000 0.257 637 G HA3 -0.334 3.626 3.960 0.001 0.000 0.257 637 G C -0.093 174.809 174.900 0.004 0.000 0.997 637 G CA 0.871 45.965 45.100 -0.009 0.000 0.708 637 G HN 0.351 nan 8.290 nan 0.000 0.520 638 E N 0.790 121.009 120.200 0.032 0.000 2.191 638 E HA 0.334 4.684 4.350 0.001 0.000 0.263 638 E C 0.438 177.081 176.600 0.072 0.000 0.881 638 E CA -0.566 55.862 56.400 0.047 0.000 0.757 638 E CB 1.178 30.907 29.700 0.048 0.000 1.147 638 E HN 0.755 nan 8.360 nan 0.000 0.414 639 E N 1.498 121.744 120.200 0.077 0.000 2.371 639 E HA 0.291 4.641 4.350 0.001 0.000 0.257 639 E C -0.611 176.011 176.600 0.036 0.000 1.134 639 E CA -0.356 56.102 56.400 0.097 0.000 0.919 639 E CB 0.656 30.460 29.700 0.174 0.000 1.025 639 E HN 0.056 nan 8.360 nan 0.000 0.438 640 T N 1.714 116.250 114.554 -0.030 0.000 2.791 640 T HA 0.243 4.593 4.350 0.001 0.000 0.288 640 T C 0.519 174.971 174.700 -0.414 0.000 0.999 640 T CA -0.689 61.341 62.100 -0.117 0.000 0.952 640 T CB 1.155 70.004 68.868 -0.031 0.000 0.938 640 T HN 0.440 nan 8.240 nan 0.000 0.444 641 R N 2.125 122.304 120.500 -0.536 0.000 2.052 641 R HA 0.098 4.439 4.340 0.001 0.000 0.224 641 R C 0.313 176.015 176.300 -0.995 0.000 1.165 641 R CA 0.768 56.229 56.100 -1.065 0.000 0.939 641 R CB 0.225 29.665 30.300 -1.433 0.000 0.834 641 R HN 0.516 nan 8.270 nan 0.000 0.435 642 W N 2.254 123.326 121.300 -0.379 0.000 2.391 642 W HA 0.394 5.055 4.660 0.001 0.000 0.311 642 W C 0.024 176.428 176.519 -0.193 0.000 1.087 642 W CA -0.741 56.412 57.345 -0.320 0.000 1.209 642 W CB 0.718 29.915 29.460 -0.437 0.000 1.273 642 W HN 0.052 nan 8.180 nan 0.000 0.482 643 R N 1.979 122.385 120.500 -0.156 0.000 2.457 643 R HA 0.260 4.600 4.340 0.001 0.000 0.284 643 R C -0.618 175.490 176.300 -0.319 0.000 1.024 643 R CA -0.478 55.392 56.100 -0.385 0.000 1.025 643 R CB 0.746 30.502 30.300 -0.907 0.000 1.063 643 R HN 0.415 nan 8.270 nan 0.000 0.493 644 Y N -1.509 118.857 120.300 0.111 0.000 4.569 644 Y HA -0.261 4.289 4.550 0.000 0.000 0.237 644 Y C -0.301 175.609 175.900 0.017 0.000 1.090 644 Y CA 0.151 58.257 58.100 0.009 0.000 2.052 644 Y CB -1.591 36.745 38.460 -0.206 0.000 1.621 644 Y HN 0.504 nan 8.280 nan 0.000 0.682 645 R N 1.401 122.052 120.500 0.252 0.000 2.476 645 R HA 0.330 4.670 4.340 0.001 0.000 0.305 645 R C 0.112 176.515 176.300 0.171 0.000 0.965 645 R CA -0.813 55.411 56.100 0.207 0.000 0.867 645 R CB 1.732 32.236 30.300 0.340 0.000 1.176 645 R HN 0.478 nan 8.270 nan 0.000 0.447 646 E N 1.088 121.337 120.200 0.081 0.000 2.465 646 E HA 0.098 4.449 4.350 0.001 0.000 0.260 646 E C 0.747 177.310 176.600 -0.063 0.000 0.980 646 E CA 1.292 57.709 56.400 0.028 0.000 0.927 646 E CB 0.331 30.034 29.700 0.004 0.000 0.934 646 E HN 0.783 nan 8.360 nan 0.000 0.459 647 G N 3.588 112.346 108.800 -0.071 0.000 2.358 647 G HA2 -0.323 3.637 3.960 0.001 0.000 0.224 647 G HA3 -0.323 3.637 3.960 0.001 0.000 0.224 647 G C 0.495 175.300 174.900 -0.158 0.000 1.073 647 G CA 0.235 45.219 45.100 -0.194 0.000 0.635 647 G HN 0.533 nan 8.290 nan 0.000 0.509 648 F N 1.596 121.598 119.950 0.087 0.000 2.274 648 F HA 0.391 4.919 4.527 0.000 0.000 0.288 648 F C 1.214 177.085 175.800 0.118 0.000 1.069 648 F CA 0.446 58.529 58.000 0.139 0.000 1.343 648 F CB 0.131 39.266 39.000 0.226 0.000 1.089 648 F HN 0.128 nan 8.300 nan 0.000 0.517 649 D N 1.298 121.883 120.400 0.308 0.000 2.233 649 D HA 0.195 4.835 4.640 0.001 0.000 0.240 649 D C -1.923 174.496 176.300 0.199 0.000 1.074 649 D CA -2.488 51.669 54.000 0.262 0.000 0.838 649 D CB 1.977 42.965 40.800 0.313 0.000 1.124 649 D HN -0.042 nan 8.370 nan 0.000 0.475 650 P HA -0.060 nan 4.420 nan 0.000 0.236 650 P C 0.633 177.830 177.300 -0.172 0.000 1.177 650 P CA 0.418 63.509 63.100 -0.015 0.000 0.773 650 P CB 0.121 31.785 31.700 -0.061 0.000 0.878 651 Y N -0.193 120.076 120.300 -0.051 0.000 2.529 651 Y HA 0.074 4.624 4.550 0.000 0.000 0.290 651 Y C 1.128 176.902 175.900 -0.209 0.000 1.177 651 Y CA 0.103 58.041 58.100 -0.270 0.000 1.305 651 Y CB -0.127 37.912 38.460 -0.701 0.000 1.047 651 Y HN -0.271 nan 8.280 nan 0.000 0.522 652 V N 1.581 121.545 119.914 0.082 0.000 2.350 652 V HA 0.154 4.275 4.120 0.001 0.000 0.276 652 V C -0.021 176.086 176.094 0.021 0.000 1.028 652 V CA -1.472 60.898 62.300 0.117 0.000 0.860 652 V CB 1.076 33.010 31.823 0.185 0.000 0.990 652 V HN 0.086 nan 8.190 nan 0.000 0.453 653 K N 6.122 126.524 120.400 0.004 0.000 2.401 653 K HA 0.172 4.492 4.320 0.001 0.000 0.278 653 K C -1.562 175.032 176.600 -0.010 0.000 1.018 653 K CA -1.132 55.142 56.287 -0.022 0.000 0.981 653 K CB 0.555 33.042 32.500 -0.021 0.000 0.933 653 K HN 0.325 nan 8.250 nan 0.000 0.477 654 P HA -0.266 nan 4.420 nan 0.000 0.222 654 P C 0.393 177.687 177.300 -0.010 0.000 1.147 654 P CA 1.483 64.571 63.100 -0.021 0.000 0.958 654 P CB 0.018 31.701 31.700 -0.027 0.000 0.788 655 G N -1.054 107.742 108.800 -0.007 0.000 2.915 655 G HA2 0.167 4.128 3.960 0.001 0.000 0.298 655 G HA3 0.167 4.128 3.960 0.001 0.000 0.298 655 G C 0.251 175.158 174.900 0.012 0.000 0.837 655 G CA 0.007 45.107 45.100 0.000 0.000 1.752 655 G HN 0.242 nan 8.290 nan 0.000 0.526 656 E N 0.210 120.423 120.200 0.022 0.000 3.575 656 E HA 0.342 4.692 4.350 0.001 0.000 0.263 656 E C 1.597 178.236 176.600 0.064 0.000 1.230 656 E CA 0.578 57.003 56.400 0.043 0.000 1.875 656 E CB 0.254 29.982 29.700 0.048 0.000 1.961 656 E HN 0.660 nan 8.360 nan 0.000 0.904 657 G N 0.979 109.807 108.800 0.047 0.000 4.731 657 G HA2 -0.223 3.737 3.960 0.001 0.000 0.266 657 G HA3 -0.223 3.737 3.960 0.001 0.000 0.266 657 G C -0.382 174.522 174.900 0.008 0.000 1.635 657 G CA 0.103 45.231 45.100 0.047 0.000 1.229 657 G HN 0.178 nan 8.290 nan 0.000 0.663 658 L N 0.355 121.542 121.223 -0.060 0.000 2.354 658 L HA 0.926 5.267 4.340 0.001 0.000 0.264 658 L C -0.066 176.666 176.870 -0.229 0.000 1.008 658 L CA -0.763 53.909 54.840 -0.280 0.000 0.819 658 L CB 2.388 43.989 42.059 -0.764 0.000 1.339 658 L HN 0.741 nan 8.230 nan 0.000 0.420 659 R N 2.362 122.685 120.500 -0.294 0.000 3.154 659 R HA 0.250 4.591 4.340 0.001 0.000 0.260 659 R C -1.747 174.410 176.300 -0.238 0.000 1.515 659 R CA -0.379 55.636 56.100 -0.143 0.000 0.997 659 R CB 0.107 30.467 30.300 0.100 0.000 1.437 659 R HN 0.326 nan 8.270 nan 0.000 0.398 660 F N 5.955 125.760 119.950 -0.243 0.000 2.670 660 F HA 0.081 4.609 4.527 0.000 0.000 0.345 660 F C 0.956 176.508 175.800 -0.413 0.000 1.303 660 F CA -0.158 57.430 58.000 -0.687 0.000 1.172 660 F CB -0.402 38.338 39.000 -0.434 0.000 1.602 660 F HN 0.515 nan 8.300 nan 0.000 0.679 661 Y N -1.164 119.109 120.300 -0.045 0.000 2.749 661 Y HA 0.142 4.692 4.550 0.001 0.000 0.321 661 Y C 1.636 177.581 175.900 0.075 0.000 1.195 661 Y CA -0.139 57.997 58.100 0.060 0.000 1.338 661 Y CB -1.214 37.323 38.460 0.129 0.000 1.017 661 Y HN 0.378 nan 8.280 nan 0.000 0.517 662 G N 0.502 109.307 108.800 0.008 0.000 2.408 662 G HA2 -0.057 3.903 3.960 0.001 0.000 0.215 662 G HA3 -0.057 3.903 3.960 0.001 0.000 0.215 662 G C 0.824 175.785 174.900 0.102 0.000 1.156 662 G CA -0.144 45.016 45.100 0.099 0.000 0.793 662 G HN 0.068 nan 8.290 nan 0.000 0.535 663 K N 0.605 121.041 120.400 0.060 0.000 2.185 663 K HA 0.253 4.573 4.320 0.001 0.000 0.271 663 K C -1.620 175.026 176.600 0.077 0.000 1.013 663 K CA -2.025 54.291 56.287 0.050 0.000 0.943 663 K CB 1.788 34.293 32.500 0.008 0.000 0.998 663 K HN -0.103 nan 8.250 nan 0.000 0.468 664 P HA -0.160 nan 4.420 nan 0.000 0.214 664 P C 0.601 177.936 177.300 0.059 0.000 1.162 664 P CA 1.259 64.398 63.100 0.066 0.000 0.879 664 P CB 0.173 31.901 31.700 0.048 0.000 0.786 665 D N -1.238 119.186 120.400 0.040 0.000 2.348 665 D HA -0.009 4.631 4.640 0.001 0.000 0.216 665 D C 1.252 177.579 176.300 0.045 0.000 0.970 665 D CA 1.055 55.074 54.000 0.031 0.000 0.889 665 D CB -1.071 39.736 40.800 0.012 0.000 0.912 665 D HN 0.265 nan 8.370 nan 0.000 0.524 666 G N 0.792 109.632 108.800 0.066 0.000 2.225 666 G HA2 -0.301 3.660 3.960 0.001 0.000 0.264 666 G HA3 -0.301 3.660 3.960 0.001 0.000 0.264 666 G C -0.122 174.860 174.900 0.137 0.000 1.060 666 G CA -0.058 45.100 45.100 0.098 0.000 0.833 666 G HN 0.456 nan 8.290 nan 0.000 0.498 667 R N -0.473 120.082 120.500 0.093 0.000 2.621 667 R HA 0.712 5.052 4.340 0.001 0.000 0.292 667 R C 0.197 176.452 176.300 -0.075 0.000 0.969 667 R CA -0.192 55.953 56.100 0.075 0.000 0.887 667 R CB 1.898 32.183 30.300 -0.025 0.000 1.180 667 R HN 0.522 nan 8.270 nan 0.000 0.450 668 A N 2.568 125.247 122.820 -0.234 0.000 2.327 668 A HA 0.429 4.749 4.320 0.001 0.000 0.283 668 A C 0.110 177.367 177.584 -0.545 0.000 1.127 668 A CA -0.532 51.095 52.037 -0.684 0.000 0.810 668 A CB 0.770 18.986 19.000 -1.306 0.000 1.066 668 A HN 0.442 nan 8.150 nan 0.000 0.492 669 V N 3.094 122.677 119.914 -0.552 0.000 2.649 669 V HA 0.230 4.350 4.120 0.001 0.000 0.292 669 V C 0.196 175.981 176.094 -0.514 0.000 1.055 669 V CA 0.103 62.132 62.300 -0.453 0.000 1.023 669 V CB 0.947 32.579 31.823 -0.319 0.000 0.992 669 V HN 0.663 nan 8.190 nan 0.000 0.480 670 I N 5.022 125.222 120.570 -0.618 0.000 2.382 670 I HA 0.326 4.496 4.170 0.001 0.000 0.286 670 I C -0.687 175.139 176.117 -0.486 0.000 1.002 670 I CA -0.586 60.303 61.300 -0.685 0.000 1.135 670 I CB 1.674 38.926 38.000 -1.247 0.000 1.288 670 I HN 0.401 nan 8.210 nan 0.000 0.448 671 L N 5.968 126.989 121.223 -0.338 0.000 2.289 671 L HA 0.571 4.911 4.340 0.001 0.000 0.285 671 L C 0.478 177.351 176.870 0.003 0.000 1.049 671 L CA 0.055 54.736 54.840 -0.265 0.000 0.804 671 L CB 1.522 43.258 42.059 -0.538 0.000 1.195 671 L HN 0.587 nan 8.230 nan 0.000 0.428 672 G N 4.427 113.288 108.800 0.103 0.000 2.393 672 G HA2 0.534 4.494 3.960 0.001 0.000 0.311 672 G HA3 0.534 4.494 3.960 0.001 0.000 0.311 672 G C -1.230 173.580 174.900 -0.149 0.000 1.067 672 G CA -0.195 45.036 45.100 0.218 0.000 1.000 672 G HN 0.483 nan 8.290 nan 0.000 0.422 673 V N 4.867 124.623 119.914 -0.263 0.000 2.962 673 V HA 0.726 4.846 4.120 0.001 0.000 0.313 673 V C -2.212 173.649 176.094 -0.389 0.000 1.099 673 V CA -1.689 60.250 62.300 -0.602 0.000 0.971 673 V CB 3.522 34.707 31.823 -1.063 0.000 1.028 673 V HN 0.695 nan 8.190 nan 0.000 0.430 674 P HA 0.288 nan 4.420 nan 0.000 0.296 674 P C -1.382 176.047 177.300 0.215 0.000 1.301 674 P CA -0.526 62.594 63.100 0.034 0.000 0.862 674 P CB 1.087 32.821 31.700 0.057 0.000 1.046 675 Y N 2.024 122.459 120.300 0.225 0.000 2.683 675 Y HA 0.167 4.718 4.550 0.001 0.000 0.340 675 Y C 0.023 176.111 175.900 0.315 0.000 1.245 675 Y CA 0.806 59.036 58.100 0.217 0.000 1.485 675 Y CB 0.529 39.099 38.460 0.183 0.000 1.328 675 Y HN 0.458 nan 8.280 nan 0.000 0.603 676 E N 6.066 125.725 120.200 -0.901 0.000 2.446 676 E HA 0.486 4.836 4.350 0.001 0.000 0.276 676 E C -2.790 173.257 176.600 -0.921 0.000 0.969 676 E CA -2.421 53.565 56.400 -0.689 0.000 0.800 676 E CB 2.527 32.119 29.700 -0.179 0.000 1.341 676 E HN 0.432 nan 8.360 nan 0.000 0.460 677 P HA 0.346 nan 4.420 nan 0.000 0.283 677 P C -2.729 174.693 177.300 0.203 0.000 1.271 677 P CA -1.819 61.301 63.100 0.033 0.000 0.841 677 P CB 0.796 32.598 31.700 0.171 0.000 1.122 678 P HA 0.033 nan 4.420 nan 0.000 0.272 678 P C 0.715 177.957 177.300 -0.097 0.000 1.230 678 P CA 0.000 63.196 63.100 0.160 0.000 0.788 678 P CB 0.340 32.171 31.700 0.219 0.000 0.949 679 A N 1.465 124.117 122.820 -0.280 0.000 1.908 679 A HA -0.173 4.148 4.320 0.001 0.000 0.218 679 A C 1.037 178.385 177.584 -0.394 0.000 1.181 679 A CA 1.544 53.139 52.037 -0.735 0.000 0.627 679 A CB -0.687 18.065 19.000 -0.414 0.000 0.818 679 A HN 0.714 nan 8.150 nan 0.000 0.445 680 E N -0.296 119.809 120.200 -0.159 0.000 2.241 680 E HA 0.518 4.869 4.350 0.001 0.000 0.263 680 E C -1.293 175.278 176.600 -0.048 0.000 0.882 680 E CA -0.409 55.923 56.400 -0.114 0.000 0.769 680 E CB 1.410 31.036 29.700 -0.123 0.000 1.185 680 E HN 0.255 nan 8.360 nan 0.000 0.415 681 S N 4.057 119.678 115.700 -0.132 0.000 2.621 681 S HA 0.582 5.052 4.470 0.001 0.000 0.302 681 S C -2.511 171.820 174.600 -0.448 0.000 1.093 681 S CA -1.324 56.667 58.200 -0.348 0.000 1.017 681 S CB 1.494 64.615 63.200 -0.132 0.000 1.077 681 S HN 0.509 nan 8.310 nan 0.000 0.517 682 P HA 0.197 nan 4.420 nan 0.000 0.268 682 P C -0.661 176.498 177.300 -0.235 0.000 1.205 682 P CA 0.040 62.868 63.100 -0.453 0.000 0.771 682 P CB 0.505 31.831 31.700 -0.624 0.000 0.858 683 D N 1.018 121.361 120.400 -0.094 0.000 2.577 683 D HA 0.110 4.751 4.640 0.001 0.000 0.248 683 D C 0.932 177.205 176.300 -0.046 0.000 1.181 683 D CA -0.413 53.567 54.000 -0.032 0.000 1.083 683 D CB 0.874 41.714 40.800 0.068 0.000 1.198 683 D HN 0.418 nan 8.370 nan 0.000 0.626 684 E N 0.133 120.318 120.200 -0.025 0.000 2.166 684 E HA -0.075 4.275 4.350 0.001 0.000 0.192 684 E C 1.546 178.095 176.600 -0.085 0.000 0.967 684 E CA 0.257 56.622 56.400 -0.059 0.000 0.840 684 E CB 0.450 30.122 29.700 -0.046 0.000 0.795 684 E HN 0.363 nan 8.360 nan 0.000 0.470 685 E N -0.445 119.716 120.200 -0.065 0.000 2.028 685 E HA -0.090 4.260 4.350 0.001 0.000 0.190 685 E C -0.312 176.045 176.600 -0.406 0.000 0.984 685 E CA 0.661 56.913 56.400 -0.247 0.000 0.800 685 E CB 0.134 29.686 29.700 -0.247 0.000 0.758 685 E HN 0.082 nan 8.360 nan 0.000 0.448 686 F N 0.189 120.101 119.950 -0.064 0.000 2.300 686 F HA 0.362 4.889 4.527 0.000 0.000 0.364 686 F C 1.043 176.773 175.800 -0.117 0.000 1.090 686 F CA -0.444 57.524 58.000 -0.054 0.000 1.200 686 F CB 1.346 40.319 39.000 -0.045 0.000 1.493 686 F HN 0.006 nan 8.300 nan 0.000 0.518 687 G N 1.427 110.192 108.800 -0.058 0.000 2.572 687 G HA2 -0.049 3.911 3.960 0.001 0.000 0.216 687 G HA3 -0.049 3.911 3.960 0.001 0.000 0.216 687 G C 0.307 175.020 174.900 -0.312 0.000 1.133 687 G CA 0.182 45.141 45.100 -0.234 0.000 0.791 687 G HN 0.318 nan 8.290 nan 0.000 0.538 688 F N -1.111 118.823 119.950 -0.027 0.000 2.397 688 F HA 0.507 5.035 4.527 0.001 0.000 0.331 688 F C 0.005 175.818 175.800 0.022 0.000 1.090 688 F CA -1.415 56.596 58.000 0.019 0.000 1.065 688 F CB 1.217 40.267 39.000 0.083 0.000 1.184 688 F HN -0.036 nan 8.300 nan 0.000 0.499 689 W N 4.397 125.888 121.300 0.317 0.000 2.316 689 W HA 0.431 5.091 4.660 0.000 0.000 0.311 689 W C -0.700 175.930 176.519 0.185 0.000 1.217 689 W CA -0.742 56.724 57.345 0.202 0.000 1.199 689 W CB 1.052 30.616 29.460 0.175 0.000 1.202 689 W HN 0.123 nan 8.180 nan 0.000 0.528 690 L N 6.441 127.929 121.223 0.442 0.000 2.272 690 L HA 0.466 4.806 4.340 0.001 0.000 0.284 690 L C -0.630 176.383 176.870 0.239 0.000 1.045 690 L CA -0.561 54.437 54.840 0.262 0.000 0.842 690 L CB 0.135 42.292 42.059 0.164 0.000 1.224 690 L HN 0.120 nan 8.230 nan 0.000 0.430 691 V N 3.738 123.793 119.914 0.236 0.000 2.567 691 V HA 0.598 4.718 4.120 0.001 0.000 0.289 691 V C 0.494 176.653 176.094 0.109 0.000 1.049 691 V CA -0.379 62.085 62.300 0.273 0.000 0.969 691 V CB 1.526 33.629 31.823 0.468 0.000 0.995 691 V HN 0.797 nan 8.190 nan 0.000 0.471 692 T N 2.588 117.199 114.554 0.095 0.000 2.886 692 T HA 0.790 5.140 4.350 0.001 0.000 0.292 692 T C 0.211 174.916 174.700 0.009 0.000 1.012 692 T CA 0.318 62.324 62.100 -0.158 0.000 0.982 692 T CB 1.755 70.586 68.868 -0.063 0.000 1.018 692 T HN 1.138 nan 8.240 nan 0.000 0.451 693 G N 2.478 111.200 108.800 -0.130 0.000 2.635 693 G HA2 0.640 4.600 3.960 0.001 0.000 0.194 693 G HA3 0.640 4.600 3.960 0.001 0.000 0.194 693 G C -1.395 173.759 174.900 0.422 0.000 1.198 693 G CA -0.620 44.708 45.100 0.380 0.000 0.972 693 G HN 0.642 nan 8.290 nan 0.000 0.520 694 R N -2.000 118.781 120.500 0.470 0.000 2.987 694 R HA 0.820 5.161 4.340 0.001 0.000 0.248 694 R C -1.518 174.897 176.300 0.192 0.000 1.264 694 R CA -0.695 55.541 56.100 0.227 0.000 1.026 694 R CB 2.230 32.581 30.300 0.086 0.000 1.286 694 R HN 0.367 nan 8.270 nan 0.000 0.483 695 V N 1.357 121.261 119.914 -0.016 0.000 2.888 695 V HA 0.106 4.226 4.120 0.001 0.000 0.309 695 V C 0.630 176.597 176.094 -0.212 0.000 1.114 695 V CA -0.621 61.607 62.300 -0.121 0.000 0.940 695 V CB 2.019 33.629 31.823 -0.356 0.000 1.021 695 V HN 0.714 nan 8.190 nan 0.000 0.426 696 L N 3.861 124.983 121.223 -0.169 0.000 2.034 696 L HA -0.213 4.127 4.340 0.001 0.000 0.217 696 L C 1.999 178.707 176.870 -0.272 0.000 1.077 696 L CA 2.527 57.258 54.840 -0.182 0.000 0.769 696 L CB -0.246 41.742 42.059 -0.119 0.000 0.890 696 L HN 0.871 nan 8.230 nan 0.000 0.435 697 E N -1.273 118.708 120.200 -0.366 0.000 2.347 697 E HA -0.019 4.331 4.350 0.001 0.000 0.196 697 E C -0.060 176.021 176.600 -0.864 0.000 1.008 697 E CA 0.679 56.742 56.400 -0.562 0.000 0.852 697 E CB -0.073 29.268 29.700 -0.599 0.000 0.783 697 E HN 0.545 nan 8.360 nan 0.000 0.505 698 H N -1.288 117.477 119.070 -0.508 0.000 2.637 698 H HA 0.152 4.709 4.556 0.000 0.000 0.363 698 H C -1.131 173.931 175.328 -0.444 0.000 1.131 698 H CA -0.881 54.832 56.048 -0.557 0.000 1.183 698 H CB 0.964 30.155 29.762 -0.951 0.000 1.637 698 H HN 0.157 nan 8.280 nan 0.000 0.531 699 W N 5.574 126.604 121.300 -0.450 0.000 2.291 699 W HA 0.133 4.794 4.660 0.000 0.000 0.312 699 W C -0.234 176.052 176.519 -0.389 0.000 1.061 699 W CA -0.149 56.873 57.345 -0.538 0.000 1.296 699 W CB 0.107 29.156 29.460 -0.685 0.000 1.223 699 W HN 0.846 nan 8.180 nan 0.000 0.421 700 H N 1.787 120.282 119.070 -0.959 0.000 1.452 700 H HA -0.300 4.257 4.556 0.000 0.000 0.090 700 H C 1.791 176.418 175.328 -1.168 0.000 1.080 700 H CA 2.392 57.716 56.048 -1.206 0.000 1.901 700 H CB -1.633 27.678 29.762 -0.753 0.000 2.257 700 H HN 0.409 nan 8.280 nan 0.000 0.961 701 S N 1.383 116.848 115.700 -0.392 0.000 2.561 701 S HA 0.197 4.668 4.470 0.001 0.000 0.225 701 S C 1.721 176.265 174.600 -0.093 0.000 0.977 701 S CA 1.454 59.544 58.200 -0.183 0.000 0.926 701 S CB 0.011 63.245 63.200 0.058 0.000 0.769 701 S HN 1.025 nan 8.310 nan 0.000 0.533 702 G N 1.509 110.259 108.800 -0.084 0.000 2.175 702 G HA2 -0.355 3.605 3.960 0.001 0.000 0.265 702 G HA3 -0.355 3.605 3.960 0.001 0.000 0.265 702 G C 0.956 175.853 174.900 -0.006 0.000 0.979 702 G CA 0.757 45.824 45.100 -0.055 0.000 0.663 702 G HN 0.662 nan 8.290 nan 0.000 0.533 703 S N -0.680 115.050 115.700 0.051 0.000 2.440 703 S HA 0.021 4.492 4.470 0.001 0.000 0.238 703 S C 2.167 176.748 174.600 -0.032 0.000 1.010 703 S CA 1.761 59.979 58.200 0.030 0.000 0.972 703 S CB -0.150 63.151 63.200 0.168 0.000 0.774 703 S HN 0.606 nan 8.310 nan 0.000 0.501 704 M N 1.028 120.689 119.600 0.102 0.000 2.858 704 M HA 0.029 4.510 4.480 0.001 0.000 0.255 704 M C 2.619 178.967 176.300 0.081 0.000 1.336 704 M CA 1.352 56.725 55.300 0.121 0.000 1.220 704 M CB -0.595 32.160 32.600 0.259 0.000 1.252 704 M HN 0.473 nan 8.290 nan 0.000 0.538 705 T N -0.317 114.308 114.554 0.118 0.000 2.904 705 T HA 0.028 4.378 4.350 0.001 0.000 0.267 705 T C 1.626 176.397 174.700 0.119 0.000 1.059 705 T CA 0.780 62.933 62.100 0.088 0.000 1.137 705 T CB -0.605 68.287 68.868 0.040 0.000 0.879 705 T HN 0.267 nan 8.240 nan 0.000 0.467 706 L N 0.135 121.403 121.223 0.075 0.000 2.633 706 L HA 0.179 4.519 4.340 0.001 0.000 0.235 706 L C 2.769 179.588 176.870 -0.084 0.000 1.163 706 L CA 0.649 55.512 54.840 0.039 0.000 0.859 706 L CB -0.258 41.754 42.059 -0.078 0.000 0.973 706 L HN 0.234 nan 8.230 nan 0.000 0.451 707 R N -1.611 118.827 120.500 -0.103 0.000 2.307 707 R HA 0.030 4.371 4.340 0.001 0.000 0.200 707 R C 0.628 176.889 176.300 -0.064 0.000 0.893 707 R CA 0.213 56.219 56.100 -0.157 0.000 1.042 707 R CB 0.045 30.164 30.300 -0.302 0.000 1.059 707 R HN 0.319 nan 8.270 nan 0.000 0.530 708 W N 2.849 124.134 121.300 -0.026 0.000 2.388 708 W HA 0.258 4.918 4.660 0.001 0.000 0.308 708 W C -2.128 174.351 176.519 -0.066 0.000 1.263 708 W CA -2.612 54.708 57.345 -0.042 0.000 1.286 708 W CB -0.084 29.340 29.460 -0.059 0.000 1.294 708 W HN -0.083 nan 8.180 nan 0.000 0.493 709 P HA -0.287 nan 4.420 nan 0.000 0.214 709 P C 1.676 178.925 177.300 -0.086 0.000 1.163 709 P CA 3.175 66.265 63.100 -0.015 0.000 0.889 709 P CB 0.224 31.912 31.700 -0.020 0.000 0.790 710 E N -0.197 119.830 120.200 -0.289 0.000 2.153 710 E HA -0.136 4.214 4.350 0.001 0.000 0.194 710 E C 2.157 178.580 176.600 -0.296 0.000 0.988 710 E CA 1.065 57.259 56.400 -0.344 0.000 0.811 710 E CB -1.256 28.084 29.700 -0.601 0.000 0.746 710 E HN 0.338 nan 8.360 nan 0.000 0.466 711 L N -0.201 120.829 121.223 -0.322 0.000 2.095 711 L HA -0.106 4.234 4.340 0.001 0.000 0.204 711 L C 2.667 179.465 176.870 -0.120 0.000 1.080 711 L CA 1.000 55.675 54.840 -0.274 0.000 0.759 711 L CB -0.569 41.304 42.059 -0.309 0.000 0.914 711 L HN 0.037 nan 8.230 nan 0.000 0.439 712 Y N 1.520 121.786 120.300 -0.057 0.000 2.089 712 Y HA -0.273 4.277 4.550 0.001 0.000 0.282 712 Y C 2.560 178.494 175.900 0.057 0.000 1.139 712 Y CA 1.502 59.648 58.100 0.078 0.000 1.123 712 Y CB -0.331 38.144 38.460 0.026 0.000 0.980 712 Y HN -0.054 nan 8.280 nan 0.000 0.493 713 K N 0.060 120.320 120.400 -0.234 0.000 2.089 713 K HA -0.244 4.076 4.320 0.001 0.000 0.210 713 K C 2.261 178.730 176.600 -0.219 0.000 1.048 713 K CA 1.492 57.609 56.287 -0.285 0.000 0.926 713 K CB -0.538 31.891 32.500 -0.120 0.000 0.714 713 K HN 0.453 nan 8.250 nan 0.000 0.448 714 A N -0.037 122.697 122.820 -0.142 0.000 2.070 714 A HA -0.104 4.217 4.320 0.001 0.000 0.220 714 A C 0.907 178.493 177.584 0.002 0.000 1.159 714 A CA 0.973 52.960 52.037 -0.083 0.000 0.656 714 A CB -0.108 18.840 19.000 -0.087 0.000 0.800 714 A HN 0.403 nan 8.150 nan 0.000 0.453 715 F N -1.044 118.812 119.950 -0.156 0.000 3.092 715 F HA 0.200 4.727 4.527 0.000 0.000 0.431 715 F C -2.102 173.719 175.800 0.034 0.000 1.096 715 F CA -1.132 56.846 58.000 -0.036 0.000 1.220 715 F CB 1.158 40.148 39.000 -0.018 0.000 2.714 715 F HN -0.012 nan 8.300 nan 0.000 0.590 716 P HA -0.077 nan 4.420 nan 0.000 0.216 716 P C 0.638 178.144 177.300 0.342 0.000 1.157 716 P CA 1.685 64.626 63.100 -0.264 0.000 0.880 716 P CB 0.543 31.931 31.700 -0.520 0.000 0.791 717 G N -1.832 107.200 108.800 0.387 0.000 2.694 717 G HA2 0.592 4.552 3.960 0.001 0.000 0.290 717 G HA3 0.592 4.552 3.960 0.001 0.000 0.290 717 G C -1.142 173.976 174.900 0.364 0.000 1.386 717 G CA -0.159 45.157 45.100 0.360 0.000 0.872 717 G HN 0.273 nan 8.290 nan 0.000 0.475 718 A N -0.897 121.846 122.820 -0.128 0.000 2.448 718 A HA 0.625 4.945 4.320 0.001 0.000 0.239 718 A C 0.085 177.654 177.584 -0.025 0.000 1.080 718 A CA 0.189 52.075 52.037 -0.251 0.000 0.779 718 A CB 0.294 18.970 19.000 -0.540 0.000 1.026 718 A HN 1.616 nan 8.150 nan 0.000 0.499 719 V N -0.577 119.331 119.914 -0.009 0.000 3.120 719 V HA 0.420 4.540 4.120 0.001 0.000 0.303 719 V C -0.386 175.597 176.094 -0.185 0.000 1.238 719 V CA -0.953 61.264 62.300 -0.137 0.000 1.008 719 V CB 1.173 32.827 31.823 -0.281 0.000 1.064 719 V HN 1.183 nan 8.190 nan 0.000 0.434 720 C N 3.744 122.920 119.300 -0.206 0.000 2.265 720 C HA 0.710 5.170 4.460 0.001 0.000 0.332 720 C C -0.141 174.740 174.990 -0.180 0.000 1.248 720 C CA -0.450 58.489 59.018 -0.132 0.000 1.727 720 C CB -1.509 26.158 27.740 -0.122 0.000 2.348 720 C HN 0.607 nan 8.230 nan 0.000 0.519 721 F N 6.707 126.671 119.950 0.024 0.000 2.427 721 F HA 0.519 5.047 4.527 0.001 0.000 0.352 721 F C 0.562 176.337 175.800 -0.042 0.000 1.100 721 F CA 0.171 58.173 58.000 0.004 0.000 1.191 721 F CB 0.772 39.775 39.000 0.005 0.000 1.128 721 F HN 0.513 nan 8.300 nan 0.000 0.533 722 M N 2.282 121.940 119.600 0.098 0.000 2.667 722 M HA 0.371 4.851 4.480 0.001 0.000 0.286 722 M C -1.326 175.045 176.300 0.118 0.000 1.270 722 M CA -0.886 54.449 55.300 0.059 0.000 0.826 722 M CB 2.175 34.750 32.600 -0.042 0.000 1.743 722 M HN 0.693 nan 8.290 nan 0.000 0.460 723 H N 2.540 121.663 119.070 0.089 0.000 2.683 723 H HA 0.260 4.816 4.556 0.000 0.000 0.339 723 H C -1.841 173.533 175.328 0.076 0.000 1.081 723 H CA -0.589 55.518 56.048 0.098 0.000 1.432 723 H CB 1.038 30.879 29.762 0.132 0.000 1.462 723 H HN 0.255 nan 8.280 nan 0.000 0.557 724 P HA -0.196 nan 4.420 nan 0.000 0.219 724 P C 0.845 178.241 177.300 0.160 0.000 1.146 724 P CA 1.348 64.448 63.100 -0.001 0.000 0.808 724 P CB 0.422 32.063 31.700 -0.099 0.000 0.779 725 E N -0.461 120.004 120.200 0.442 0.000 2.216 725 E HA -0.074 4.277 4.350 0.001 0.000 0.192 725 E C 1.160 177.886 176.600 0.211 0.000 0.973 725 E CA 0.212 56.789 56.400 0.295 0.000 0.851 725 E CB -0.038 29.822 29.700 0.265 0.000 0.804 725 E HN 0.037 nan 8.360 nan 0.000 0.477 726 D N 0.234 120.794 120.400 0.267 0.000 2.351 726 D HA -0.079 4.561 4.640 0.001 0.000 0.216 726 D C 1.253 177.680 176.300 0.212 0.000 0.968 726 D CA 0.683 54.828 54.000 0.241 0.000 0.899 726 D CB 0.206 41.237 40.800 0.385 0.000 0.907 726 D HN 0.204 nan 8.370 nan 0.000 0.514 727 A N 0.244 123.160 122.820 0.159 0.000 1.887 727 A HA 0.015 4.335 4.320 0.001 0.000 0.210 727 A C 2.092 179.721 177.584 0.075 0.000 1.221 727 A CA 0.295 52.389 52.037 0.096 0.000 0.635 727 A CB -0.108 18.928 19.000 0.060 0.000 0.881 727 A HN 0.023 nan 8.150 nan 0.000 0.456 728 R N 0.894 121.439 120.500 0.074 0.000 2.133 728 R HA -0.216 4.124 4.340 0.001 0.000 0.245 728 R C 2.614 178.943 176.300 0.049 0.000 1.137 728 R CA 2.160 58.292 56.100 0.054 0.000 0.947 728 R CB -0.797 29.537 30.300 0.057 0.000 0.865 728 R HN 0.678 nan 8.270 nan 0.000 0.437 729 S N 1.102 116.838 115.700 0.059 0.000 2.368 729 S HA -0.231 4.239 4.470 0.001 0.000 0.226 729 S C 1.905 176.530 174.600 0.042 0.000 1.044 729 S CA 1.517 59.745 58.200 0.046 0.000 1.062 729 S CB -0.282 62.947 63.200 0.047 0.000 0.931 729 S HN 0.275 nan 8.310 nan 0.000 0.440 730 R N 1.187 121.722 120.500 0.059 0.000 2.328 730 R HA 0.284 4.624 4.340 0.001 0.000 0.200 730 R C 1.453 177.772 176.300 0.032 0.000 0.983 730 R CA 0.543 56.673 56.100 0.050 0.000 1.062 730 R CB -0.607 29.740 30.300 0.079 0.000 0.956 730 R HN 0.717 nan 8.270 nan 0.000 0.479 731 G N 0.283 109.100 108.800 0.029 0.000 2.176 731 G HA2 -0.235 3.726 3.960 0.001 0.000 0.252 731 G HA3 -0.235 3.726 3.960 0.001 0.000 0.252 731 G C -0.411 174.497 174.900 0.013 0.000 1.024 731 G CA -0.227 44.884 45.100 0.017 0.000 0.755 731 G HN 0.048 nan 8.290 nan 0.000 0.507 732 L N 0.116 121.350 121.223 0.019 0.000 2.331 732 L HA 0.595 4.935 4.340 0.001 0.000 0.275 732 L C 0.540 177.413 176.870 0.005 0.000 1.022 732 L CA -1.102 53.742 54.840 0.008 0.000 0.812 732 L CB 1.352 43.416 42.059 0.008 0.000 1.257 732 L HN 0.408 nan 8.230 nan 0.000 0.435 733 N N 0.716 119.411 118.700 -0.009 0.000 2.890 733 N HA 0.525 5.265 4.740 0.001 0.000 0.317 733 N C -0.780 174.713 175.510 -0.028 0.000 1.355 733 N CA -1.077 51.966 53.050 -0.013 0.000 0.803 733 N CB 1.468 39.946 38.487 -0.016 0.000 1.465 733 N HN 0.375 nan 8.380 nan 0.000 0.591 734 R N 0.161 120.640 120.500 -0.035 0.000 2.401 734 R HA 0.244 4.584 4.340 0.001 0.000 0.299 734 R C 0.434 176.698 176.300 -0.060 0.000 1.064 734 R CA 1.002 57.069 56.100 -0.054 0.000 1.000 734 R CB -0.230 30.038 30.300 -0.055 0.000 0.973 734 R HN 0.917 nan 8.270 nan 0.000 0.438 735 G N 2.287 111.041 108.800 -0.076 0.000 2.213 735 G HA2 -0.247 3.714 3.960 0.001 0.000 0.226 735 G HA3 -0.247 3.714 3.960 0.001 0.000 0.226 735 G C -0.160 174.702 174.900 -0.062 0.000 0.992 735 G CA 0.059 45.115 45.100 -0.074 0.000 0.632 735 G HN 0.627 nan 8.290 nan 0.000 0.511 736 S N 0.707 116.374 115.700 -0.055 0.000 2.560 736 S HA 0.337 4.807 4.470 0.001 0.000 0.284 736 S C 0.313 174.881 174.600 -0.052 0.000 1.327 736 S CA 0.039 58.212 58.200 -0.045 0.000 1.055 736 S CB 1.530 64.708 63.200 -0.036 0.000 0.868 736 S HN 0.430 nan 8.310 nan 0.000 0.506 737 E N 2.291 122.464 120.200 -0.044 0.000 2.052 737 E HA 0.296 4.647 4.350 0.001 0.000 0.283 737 E C -0.198 176.376 176.600 -0.043 0.000 1.071 737 E CA -0.518 55.855 56.400 -0.046 0.000 0.851 737 E CB 0.336 30.013 29.700 -0.039 0.000 1.066 737 E HN 0.500 nan 8.360 nan 0.000 0.396 738 V N 1.710 121.592 119.914 -0.053 0.000 2.966 738 V HA 0.588 4.708 4.120 0.001 0.000 0.317 738 V C -0.039 176.028 176.094 -0.045 0.000 1.070 738 V CA -1.019 61.251 62.300 -0.049 0.000 1.008 738 V CB 1.749 33.533 31.823 -0.065 0.000 1.070 738 V HN 0.541 nan 8.190 nan 0.000 0.457 739 R N 1.181 121.661 120.500 -0.033 0.000 2.337 739 R HA 0.642 4.983 4.340 0.001 0.000 0.319 739 R C -1.357 174.934 176.300 -0.015 0.000 0.954 739 R CA -0.514 55.572 56.100 -0.023 0.000 0.840 739 R CB 1.840 32.133 30.300 -0.012 0.000 1.164 739 R HN 0.729 nan 8.270 nan 0.000 0.472 740 V N 6.622 126.524 119.914 -0.020 0.000 2.408 740 V HA 0.298 4.418 4.120 0.001 0.000 0.267 740 V C 0.254 176.369 176.094 0.034 0.000 1.047 740 V CA -0.063 62.235 62.300 -0.004 0.000 0.937 740 V CB 0.808 32.614 31.823 -0.028 0.000 0.999 740 V HN 0.609 nan 8.190 nan 0.000 0.472 741 I N 3.956 124.578 120.570 0.087 0.000 2.530 741 I HA 0.620 4.790 4.170 0.001 0.000 0.297 741 I C 0.167 176.435 176.117 0.252 0.000 1.011 741 I CA -0.092 61.290 61.300 0.136 0.000 1.107 741 I CB 2.204 40.277 38.000 0.122 0.000 1.285 741 I HN 0.519 nan 8.210 nan 0.000 0.436 742 S N 2.619 118.439 115.700 0.201 0.000 2.697 742 S HA 0.448 4.918 4.470 0.001 0.000 0.289 742 S C 0.664 175.301 174.600 0.061 0.000 1.149 742 S CA -0.818 57.438 58.200 0.093 0.000 0.850 742 S CB 2.090 65.273 63.200 -0.028 0.000 1.151 742 S HN 0.561 nan 8.310 nan 0.000 0.491 743 R N 0.433 120.808 120.500 -0.209 0.000 2.328 743 R HA 0.075 4.416 4.340 0.001 0.000 0.207 743 R C 1.283 177.566 176.300 -0.028 0.000 1.056 743 R CA 0.888 56.928 56.100 -0.101 0.000 1.016 743 R CB -0.047 30.119 30.300 -0.224 0.000 0.872 743 R HN 0.386 nan 8.270 nan 0.000 0.471 744 R N -0.479 120.001 120.500 -0.034 0.000 2.250 744 R HA 0.202 4.542 4.340 0.001 0.000 0.194 744 R C 0.730 177.030 176.300 -0.000 0.000 0.927 744 R CA 0.481 56.572 56.100 -0.015 0.000 1.052 744 R CB 1.272 31.553 30.300 -0.032 0.000 1.055 744 R HN 0.180 nan 8.270 nan 0.000 0.537 745 G N 0.044 108.850 108.800 0.011 0.000 2.430 745 G HA2 0.329 4.289 3.960 0.001 0.000 0.300 745 G HA3 0.329 4.289 3.960 0.001 0.000 0.300 745 G C -1.818 173.094 174.900 0.021 0.000 1.330 745 G CA -0.760 44.345 45.100 0.009 0.000 0.813 745 G HN 0.018 nan 8.290 nan 0.000 0.487 746 E N -1.085 119.118 120.200 0.004 0.000 2.393 746 E HA 0.723 5.073 4.350 0.001 0.000 0.273 746 E C -0.882 175.706 176.600 -0.020 0.000 0.918 746 E CA -0.743 55.659 56.400 0.003 0.000 0.773 746 E CB 2.986 32.689 29.700 0.005 0.000 1.275 746 E HN 0.447 nan 8.360 nan 0.000 0.451 747 I N 0.530 121.085 120.570 -0.025 0.000 3.074 747 I HA 0.477 4.648 4.170 0.001 0.000 0.310 747 I C -0.713 175.378 176.117 -0.043 0.000 1.153 747 I CA -1.051 60.224 61.300 -0.042 0.000 0.993 747 I CB 2.259 40.225 38.000 -0.056 0.000 1.237 747 I HN 0.221 nan 8.210 nan 0.000 0.443 748 R N 2.105 122.575 120.500 -0.051 0.000 2.388 748 R HA 0.507 4.847 4.340 0.001 0.000 0.314 748 R C -0.948 175.314 176.300 -0.065 0.000 0.959 748 R CA -0.461 55.609 56.100 -0.051 0.000 0.851 748 R CB 2.036 32.310 30.300 -0.044 0.000 1.168 748 R HN 0.780 nan 8.270 nan 0.000 0.472 749 T N -0.357 114.152 114.554 -0.074 0.000 2.907 749 T HA 0.560 4.911 4.350 0.001 0.000 0.290 749 T C 0.100 174.747 174.700 -0.089 0.000 1.066 749 T CA -1.087 60.960 62.100 -0.089 0.000 1.012 749 T CB 2.139 70.943 68.868 -0.106 0.000 1.184 749 T HN 0.349 nan 8.240 nan 0.000 0.522 750 R N 0.143 120.583 120.500 -0.100 0.000 2.598 750 R HA 0.571 4.911 4.340 0.001 0.000 0.279 750 R C -0.680 175.540 176.300 -0.134 0.000 0.984 750 R CA -1.018 55.021 56.100 -0.102 0.000 0.999 750 R CB 1.002 31.245 30.300 -0.096 0.000 1.114 750 R HN 0.367 nan 8.270 nan 0.000 0.493 751 L N 1.478 122.628 121.223 -0.122 0.000 2.439 751 L HA 0.153 4.494 4.340 0.001 0.000 0.269 751 L C 0.133 176.899 176.870 -0.173 0.000 1.179 751 L CA 0.800 55.558 54.840 -0.136 0.000 0.828 751 L CB 0.342 42.344 42.059 -0.095 0.000 1.106 751 L HN 0.609 nan 8.230 nan 0.000 0.467 752 E N 1.032 121.103 120.200 -0.216 0.000 2.317 752 E HA 0.258 4.609 4.350 0.001 0.000 0.270 752 E C -1.391 175.123 176.600 -0.143 0.000 0.899 752 E CA -0.269 55.991 56.400 -0.233 0.000 0.814 752 E CB 1.522 30.975 29.700 -0.412 0.000 1.296 752 E HN 0.666 nan 8.360 nan 0.000 0.404 753 T N 1.797 116.311 114.554 -0.068 0.000 2.912 753 T HA 0.480 4.830 4.350 0.001 0.000 0.288 753 T C 0.329 175.024 174.700 -0.008 0.000 1.030 753 T CA -0.195 61.897 62.100 -0.013 0.000 1.020 753 T CB 1.117 69.974 68.868 -0.020 0.000 1.056 753 T HN 0.720 nan 8.240 nan 0.000 0.480 754 R N 0.555 121.064 120.500 0.017 0.000 3.854 754 R HA -0.117 4.223 4.340 0.001 0.000 0.352 754 R C 0.725 177.058 176.300 0.054 0.000 1.156 754 R CA 0.596 56.705 56.100 0.016 0.000 0.917 754 R CB -2.105 28.188 30.300 -0.011 0.000 1.471 754 R HN 0.968 nan 8.270 nan 0.000 0.521 755 G N 0.324 109.209 108.800 0.142 0.000 2.543 755 G HA2 0.276 4.236 3.960 0.001 0.000 0.267 755 G HA3 0.276 4.236 3.960 0.001 0.000 0.267 755 G C 0.964 176.001 174.900 0.229 0.000 1.406 755 G CA -0.010 45.236 45.100 0.244 0.000 1.048 755 G HN 0.281 nan 8.290 nan 0.000 0.548 756 R N -0.772 119.885 120.500 0.262 0.000 2.075 756 R HA 0.009 4.349 4.340 0.001 0.000 0.232 756 R C -0.175 176.103 176.300 -0.036 0.000 1.126 756 R CA 0.779 56.929 56.100 0.084 0.000 0.963 756 R CB -0.514 29.829 30.300 0.072 0.000 0.858 756 R HN 0.247 nan 8.270 nan 0.000 0.435 757 N N 2.116 120.651 118.700 -0.276 0.000 2.406 757 N HA 0.109 4.849 4.740 0.001 0.000 0.251 757 N C -0.914 174.511 175.510 -0.142 0.000 1.069 757 N CA -0.089 52.733 53.050 -0.380 0.000 0.947 757 N CB 1.305 39.090 38.487 -1.170 0.000 1.111 757 N HN 0.169 nan 8.380 nan 0.000 0.497 758 R N 2.261 122.749 120.500 -0.020 0.000 2.287 758 R HA 0.293 4.633 4.340 0.001 0.000 0.327 758 R C 0.195 176.521 176.300 0.044 0.000 1.109 758 R CA -0.554 55.554 56.100 0.012 0.000 1.013 758 R CB 0.406 30.713 30.300 0.011 0.000 1.126 758 R HN 0.315 nan 8.270 nan 0.000 0.503 759 M N 3.456 123.086 119.600 0.050 0.000 2.240 759 M HA 0.247 4.728 4.480 0.001 0.000 0.333 759 M C -2.010 174.435 176.300 0.243 0.000 1.110 759 M CA -2.886 52.487 55.300 0.122 0.000 1.173 759 M CB -0.194 32.480 32.600 0.124 0.000 1.458 759 M HN 0.243 nan 8.290 nan 0.000 0.458 760 P HA 0.377 nan 4.420 nan 0.000 0.281 760 P C -0.738 176.710 177.300 0.247 0.000 1.264 760 P CA -0.730 62.515 63.100 0.242 0.000 0.824 760 P CB 0.601 32.389 31.700 0.145 0.000 1.092 761 R N 0.989 121.544 120.500 0.091 0.000 2.484 761 R HA 0.316 4.656 4.340 0.001 0.000 0.293 761 R C 1.130 177.515 176.300 0.141 0.000 1.023 761 R CA 1.043 57.140 56.100 -0.006 0.000 1.037 761 R CB -0.913 29.269 30.300 -0.196 0.000 0.951 761 R HN 0.943 nan 8.270 nan 0.000 0.418 762 G N 1.275 110.226 108.800 0.252 0.000 2.175 762 G HA2 -0.250 3.711 3.960 0.001 0.000 0.244 762 G HA3 -0.250 3.711 3.960 0.001 0.000 0.244 762 G C -0.087 175.155 174.900 0.570 0.000 0.982 762 G CA -0.111 45.139 45.100 0.250 0.000 0.641 762 G HN 0.451 nan 8.290 nan 0.000 0.527 763 V N 0.437 120.672 119.914 0.534 0.000 2.540 763 V HA 0.784 4.905 4.120 0.001 0.000 0.302 763 V C 0.003 176.288 176.094 0.319 0.000 1.035 763 V CA -0.841 61.745 62.300 0.476 0.000 0.873 763 V CB 2.038 34.060 31.823 0.332 0.000 0.992 763 V HN 0.262 nan 8.190 nan 0.000 0.428 764 V N 4.569 124.633 119.914 0.250 0.000 2.735 764 V HA 0.588 4.709 4.120 0.001 0.000 0.310 764 V C -1.209 174.978 176.094 0.156 0.000 1.061 764 V CA -0.657 61.702 62.300 0.098 0.000 0.913 764 V CB 2.138 33.899 31.823 -0.104 0.000 1.005 764 V HN 0.744 nan 8.190 nan 0.000 0.428 765 F N 5.588 125.513 119.950 -0.041 0.000 2.518 765 F HA 0.780 5.307 4.527 0.001 0.000 0.323 765 F C -0.594 175.284 175.800 0.130 0.000 1.129 765 F CA -0.625 57.340 58.000 -0.058 0.000 0.920 765 F CB 1.813 40.532 39.000 -0.469 0.000 1.160 765 F HN 0.340 nan 8.300 nan 0.000 0.440 766 V N 4.844 124.447 119.914 -0.517 0.000 2.577 766 V HA 0.715 4.835 4.120 0.001 0.000 0.303 766 V C -2.866 172.903 176.094 -0.541 0.000 1.042 766 V CA -2.225 59.878 62.300 -0.328 0.000 0.872 766 V CB 1.448 33.171 31.823 -0.166 0.000 0.998 766 V HN 0.628 nan 8.190 nan 0.000 0.423 767 P HA 0.202 nan 4.420 nan 0.000 0.278 767 P C 0.018 177.225 177.300 -0.155 0.000 1.238 767 P CA -0.225 62.801 63.100 -0.123 0.000 0.794 767 P CB 1.014 32.819 31.700 0.175 0.000 0.955 768 W N 3.157 124.316 121.300 -0.234 0.000 3.239 768 W HA 0.108 4.768 4.660 0.000 0.000 0.368 768 W C 0.852 177.236 176.519 -0.225 0.000 1.154 768 W CA -0.479 56.709 57.345 -0.261 0.000 1.860 768 W CB -1.757 27.569 29.460 -0.224 0.000 1.094 768 W HN 0.237 nan 8.180 nan 0.000 0.643 769 F N 1.259 120.892 119.950 -0.527 0.000 2.408 769 F HA 0.068 4.595 4.527 0.000 0.000 0.300 769 F C 0.444 176.047 175.800 -0.328 0.000 1.090 769 F CA 0.528 58.190 58.000 -0.564 0.000 1.427 769 F CB -0.709 37.942 39.000 -0.583 0.000 1.070 769 F HN -0.281 nan 8.300 nan 0.000 0.549 770 D N 1.294 121.333 120.400 -0.601 0.000 2.347 770 D HA 0.332 4.972 4.640 0.001 0.000 0.235 770 D C 1.113 177.313 176.300 -0.168 0.000 1.149 770 D CA 0.235 54.028 54.000 -0.345 0.000 0.850 770 D CB 1.752 42.238 40.800 -0.522 0.000 1.061 770 D HN 0.195 nan 8.370 nan 0.000 0.487 771 A N 3.033 125.804 122.820 -0.082 0.000 2.067 771 A HA -0.133 4.187 4.320 0.001 0.000 0.219 771 A C 2.095 179.643 177.584 -0.059 0.000 1.158 771 A CA 1.522 53.530 52.037 -0.048 0.000 0.661 771 A CB -0.273 18.713 19.000 -0.023 0.000 0.801 771 A HN 0.578 nan 8.150 nan 0.000 0.452 772 S N -0.489 115.170 115.700 -0.069 0.000 2.406 772 S HA -0.098 4.372 4.470 0.001 0.000 0.228 772 S C 1.018 175.571 174.600 -0.079 0.000 1.020 772 S CA 0.838 59.000 58.200 -0.063 0.000 0.965 772 S CB -0.253 62.916 63.200 -0.051 0.000 0.798 772 S HN 0.631 nan 8.310 nan 0.000 0.488 773 Q N 1.476 121.212 119.800 -0.107 0.000 2.788 773 Q HA 0.392 4.733 4.340 0.001 0.000 0.278 773 Q C -1.131 174.809 176.000 -0.099 0.000 1.126 773 Q CA -0.199 55.536 55.803 -0.113 0.000 1.017 773 Q CB 0.808 29.454 28.738 -0.154 0.000 1.219 773 Q HN 0.498 nan 8.270 nan 0.000 0.503 774 L N 2.707 123.887 121.223 -0.073 0.000 2.574 774 L HA 0.058 4.399 4.340 0.001 0.000 0.281 774 L C 1.152 177.993 176.870 -0.049 0.000 1.212 774 L CA 0.054 54.864 54.840 -0.050 0.000 1.082 774 L CB -0.354 41.669 42.059 -0.060 0.000 1.362 774 L HN 0.586 nan 8.230 nan 0.000 0.451 775 I N 0.837 121.382 120.570 -0.042 0.000 2.567 775 I HA -0.212 3.958 4.170 0.001 0.000 0.257 775 I C 1.887 177.981 176.117 -0.039 0.000 1.184 775 I CA 0.705 61.978 61.300 -0.045 0.000 1.451 775 I CB -0.310 37.659 38.000 -0.051 0.000 1.089 775 I HN 0.618 nan 8.210 nan 0.000 0.441 776 N N 1.312 119.985 118.700 -0.044 0.000 2.609 776 N HA -0.110 4.630 4.740 0.001 0.000 0.190 776 N C 1.495 176.982 175.510 -0.038 0.000 1.157 776 N CA 0.783 53.805 53.050 -0.046 0.000 0.918 776 N CB 0.002 38.441 38.487 -0.081 0.000 0.978 776 N HN 0.495 nan 8.380 nan 0.000 0.448 777 K N -0.130 120.245 120.400 -0.042 0.000 2.167 777 K HA 0.053 4.373 4.320 0.001 0.000 0.203 777 K C 1.699 178.281 176.600 -0.031 0.000 1.052 777 K CA 0.617 56.879 56.287 -0.042 0.000 0.956 777 K CB 0.257 32.726 32.500 -0.051 0.000 0.735 777 K HN -0.007 nan 8.250 nan 0.000 0.451 778 V N 1.784 121.683 119.914 -0.025 0.000 2.719 778 V HA -0.091 4.030 4.120 0.001 0.000 0.252 778 V C 0.930 177.011 176.094 -0.021 0.000 1.065 778 V CA 1.018 63.309 62.300 -0.016 0.000 1.086 778 V CB -0.638 31.181 31.823 -0.006 0.000 0.700 778 V HN 0.300 nan 8.190 nan 0.000 0.467 779 T N 2.130 116.672 114.554 -0.020 0.000 2.918 779 T HA 0.411 4.761 4.350 0.001 0.000 0.302 779 T C -0.445 174.217 174.700 -0.063 0.000 1.045 779 T CA -0.249 61.838 62.100 -0.023 0.000 1.114 779 T CB 1.522 70.400 68.868 0.017 0.000 0.965 779 T HN 0.099 nan 8.240 nan 0.000 0.540 780 L N 2.160 123.330 121.223 -0.088 0.000 2.312 780 L HA 0.313 4.653 4.340 0.001 0.000 0.281 780 L C 1.173 177.944 176.870 -0.165 0.000 1.070 780 L CA -0.202 54.569 54.840 -0.115 0.000 0.805 780 L CB 0.788 42.778 42.059 -0.115 0.000 1.174 780 L HN 0.615 nan 8.230 nan 0.000 0.434 781 D N 3.273 123.588 120.400 -0.140 0.000 2.411 781 D HA -0.074 4.566 4.640 0.001 0.000 0.226 781 D C 0.343 176.556 176.300 -0.144 0.000 0.988 781 D CA 0.645 54.562 54.000 -0.137 0.000 0.938 781 D CB 0.137 40.890 40.800 -0.079 0.000 0.883 781 D HN 0.690 nan 8.370 nan 0.000 0.525 782 A N 0.163 122.889 122.820 -0.157 0.000 2.445 782 A HA 0.323 4.643 4.320 0.001 0.000 0.242 782 A C 0.203 177.728 177.584 -0.099 0.000 1.075 782 A CA -0.047 51.927 52.037 -0.105 0.000 0.777 782 A CB 0.270 19.227 19.000 -0.072 0.000 1.013 782 A HN 0.348 nan 8.150 nan 0.000 0.493 783 N N 0.136 118.806 118.700 -0.049 0.000 2.577 783 N HA 0.367 5.107 4.740 0.001 0.000 0.285 783 N C -1.513 173.961 175.510 -0.060 0.000 1.309 783 N CA -0.919 52.098 53.050 -0.054 0.000 0.798 783 N CB 1.208 39.665 38.487 -0.050 0.000 1.463 783 N HN 0.720 nan 8.380 nan 0.000 0.518 784 D N 1.428 121.787 120.400 -0.068 0.000 2.339 784 D HA 0.097 4.737 4.640 0.001 0.000 0.241 784 D C -1.596 174.619 176.300 -0.142 0.000 1.183 784 D CA -1.958 51.963 54.000 -0.131 0.000 0.859 784 D CB 0.949 41.686 40.800 -0.105 0.000 1.067 784 D HN 0.303 nan 8.370 nan 0.000 0.484 785 P HA -0.160 nan 4.420 nan 0.000 0.221 785 P C 1.477 178.712 177.300 -0.108 0.000 1.141 785 P CA 0.954 63.971 63.100 -0.139 0.000 0.794 785 P CB 0.383 31.985 31.700 -0.163 0.000 0.764 786 I N -0.246 120.261 120.570 -0.104 0.000 2.512 786 I HA -0.098 4.072 4.170 0.001 0.000 0.247 786 I C 2.565 178.643 176.117 -0.064 0.000 1.094 786 I CA 1.550 62.818 61.300 -0.054 0.000 1.427 786 I CB -0.694 37.304 38.000 -0.002 0.000 1.149 786 I HN 0.019 nan 8.210 nan 0.000 0.438 787 S N -0.056 115.610 115.700 -0.056 0.000 2.478 787 S HA 0.027 4.497 4.470 0.001 0.000 0.222 787 S C 1.107 175.675 174.600 -0.053 0.000 1.008 787 S CA -0.124 58.057 58.200 -0.031 0.000 0.928 787 S CB 0.170 63.383 63.200 0.020 0.000 0.781 787 S HN 0.305 nan 8.310 nan 0.000 0.518 788 R N 0.738 121.173 120.500 -0.107 0.000 3.656 788 R HA -0.129 4.211 4.340 0.001 0.000 0.297 788 R C -0.281 175.996 176.300 -0.039 0.000 1.166 788 R CA 0.950 56.935 56.100 -0.192 0.000 0.799 788 R CB -2.677 27.297 30.300 -0.544 0.000 1.285 788 R HN 0.874 nan 8.270 nan 0.000 0.477 789 Q N 1.018 120.840 119.800 0.036 0.000 2.322 789 Q HA 0.250 4.590 4.340 0.001 0.000 0.256 789 Q C 0.159 176.199 176.000 0.067 0.000 0.960 789 Q CA 0.033 55.916 55.803 0.132 0.000 0.934 789 Q CB 1.080 29.921 28.738 0.171 0.000 1.200 789 Q HN 0.206 nan 8.270 nan 0.000 0.435 790 T N 1.935 116.513 114.554 0.040 0.000 2.906 790 T HA -0.046 4.305 4.350 0.001 0.000 0.320 790 T C -0.233 174.247 174.700 -0.367 0.000 1.088 790 T CA -0.304 61.649 62.100 -0.245 0.000 1.120 790 T CB 0.678 69.253 68.868 -0.490 0.000 1.000 790 T HN 0.704 nan 8.240 nan 0.000 0.550 791 D N 2.928 123.099 120.400 -0.383 0.000 2.427 791 D HA 0.215 4.855 4.640 0.001 0.000 0.226 791 D C -0.139 175.997 176.300 -0.273 0.000 1.076 791 D CA -0.728 53.151 54.000 -0.202 0.000 0.849 791 D CB 0.100 40.863 40.800 -0.061 0.000 1.052 791 D HN 0.579 nan 8.370 nan 0.000 0.515 792 F N 2.058 121.992 119.950 -0.026 0.000 2.727 792 F HA 0.192 4.720 4.527 0.000 0.000 0.302 792 F C 2.002 177.799 175.800 -0.005 0.000 1.097 792 F CA -0.307 57.655 58.000 -0.064 0.000 1.330 792 F CB 0.458 39.363 39.000 -0.158 0.000 1.084 792 F HN 0.132 nan 8.300 nan 0.000 0.578 793 K N 1.502 122.017 120.400 0.192 0.000 2.426 793 K HA 0.103 4.423 4.320 0.001 0.000 0.193 793 K C 0.188 176.862 176.600 0.123 0.000 1.028 793 K CA 0.366 56.753 56.287 0.167 0.000 1.047 793 K CB -0.053 32.539 32.500 0.153 0.000 0.821 793 K HN 0.333 nan 8.250 nan 0.000 0.513 794 K N -0.177 120.299 120.400 0.126 0.000 2.569 794 K HA 0.389 4.710 4.320 0.001 0.000 0.259 794 K C -0.803 175.970 176.600 0.289 0.000 0.932 794 K CA -0.829 55.601 56.287 0.238 0.000 0.833 794 K CB 1.255 33.813 32.500 0.097 0.000 1.340 794 K HN 0.069 nan 8.250 nan 0.000 0.429 795 C N -1.235 118.293 119.300 0.380 0.000 3.197 795 C HA 0.809 5.269 4.460 0.001 0.000 0.343 795 C C -0.825 174.233 174.990 0.114 0.000 1.291 795 C CA -0.650 58.469 59.018 0.169 0.000 1.191 795 C CB 0.842 28.615 27.740 0.054 0.000 1.444 795 C HN 1.132 nan 8.230 nan 0.000 0.468 796 A N 1.061 123.847 122.820 -0.057 0.000 2.331 796 A HA 0.804 5.124 4.320 0.001 0.000 0.283 796 A C -0.427 177.182 177.584 0.042 0.000 1.142 796 A CA -0.337 51.656 52.037 -0.074 0.000 0.812 796 A CB 0.474 19.380 19.000 -0.156 0.000 1.074 796 A HN 1.774 nan 8.150 nan 0.000 0.497 797 V N 2.287 122.328 119.914 0.212 0.000 2.971 797 V HA 0.462 4.582 4.120 0.001 0.000 0.309 797 V C -0.180 176.150 176.094 0.393 0.000 1.130 797 V CA -0.819 61.669 62.300 0.313 0.000 0.964 797 V CB 2.250 34.193 31.823 0.200 0.000 1.029 797 V HN 0.985 nan 8.190 nan 0.000 0.427 798 K N 2.610 123.223 120.400 0.354 0.000 2.208 798 K HA 0.790 5.110 4.320 0.001 0.000 0.247 798 K C -1.594 175.102 176.600 0.160 0.000 0.953 798 K CA -0.731 55.682 56.287 0.211 0.000 0.837 798 K CB 1.837 34.294 32.500 -0.072 0.000 1.131 798 K HN 0.594 nan 8.250 nan 0.000 0.431 799 I N 2.531 123.204 120.570 0.172 0.000 2.447 799 I HA 0.318 4.488 4.170 0.001 0.000 0.287 799 I C -0.404 175.743 176.117 0.051 0.000 1.023 799 I CA -0.617 60.722 61.300 0.064 0.000 1.083 799 I CB 1.888 39.862 38.000 -0.044 0.000 1.245 799 I HN 0.478 nan 8.210 nan 0.000 0.434 800 E N 4.162 124.370 120.200 0.013 0.000 2.392 800 E HA 0.914 5.264 4.350 0.001 0.000 0.269 800 E C -1.201 175.395 176.600 -0.007 0.000 0.924 800 E CA -0.811 55.592 56.400 0.005 0.000 0.784 800 E CB 3.158 32.855 29.700 -0.006 0.000 1.292 800 E HN 0.728 nan 8.360 nan 0.000 0.447 801 A N 0.000 122.815 122.820 -0.008 0.000 2.254 801 A HA 0.000 4.320 4.320 0.001 0.000 0.244 801 A CA 0.000 nan 52.037 nan 0.000 0.836 801 A CB 0.000 19.000 19.000 0.001 0.000 0.831 801 A HN 0.000 nan 8.150 nan 0.000 0.486