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 3pq7_1_C DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.563 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 28 S CB 0.000 63.169 63.200 -0.053 0.000 0.593 29 L N 2.934 124.114 121.223 -0.072 0.000 2.375 29 L HA 0.372 4.742 4.340 0.050 0.000 0.215 29 L C 1.550 178.347 176.870 -0.123 0.000 1.108 29 L CA 0.646 55.439 54.840 -0.077 0.000 0.830 29 L CB -0.560 41.464 42.059 -0.058 0.000 0.959 29 L HN 0.739 nan 8.230 nan 0.000 0.457 30 A N 1.521 124.216 122.820 -0.208 0.000 2.445 30 A HA 0.352 4.702 4.320 0.050 0.000 0.242 30 A C -1.995 175.439 177.584 -0.249 0.000 1.075 30 A CA -0.958 50.839 52.037 -0.400 0.000 0.777 30 A CB -0.574 17.945 19.000 -0.801 0.000 1.013 30 A HN -0.005 nan 8.150 nan 0.000 0.493 31 P HA 0.110 nan 4.420 nan 0.000 0.271 31 P C 0.280 177.560 177.300 -0.033 0.000 1.218 31 P CA -0.047 63.016 63.100 -0.061 0.000 0.780 31 P CB 0.774 32.477 31.700 0.005 0.000 0.901 32 E N 1.447 121.638 120.200 -0.015 0.000 2.171 32 E HA -0.239 4.141 4.350 0.050 0.000 0.197 32 E C 1.095 177.713 176.600 0.029 0.000 0.997 32 E CA 1.879 58.280 56.400 0.002 0.000 0.810 32 E CB -0.277 29.423 29.700 0.000 0.000 0.738 32 E HN 0.539 nan 8.360 nan 0.000 0.467 33 D N -1.621 118.803 120.400 0.040 0.000 2.349 33 D HA 0.049 4.719 4.640 0.050 0.000 0.224 33 D C 1.192 177.539 176.300 0.079 0.000 1.029 33 D CA 0.731 54.760 54.000 0.048 0.000 0.879 33 D CB -0.222 40.599 40.800 0.036 0.000 0.906 33 D HN 0.230 nan 8.370 nan 0.000 0.528 34 G N 0.625 109.512 108.800 0.146 0.000 2.168 34 G HA2 -0.366 3.624 3.960 0.050 0.000 0.257 34 G HA3 -0.366 3.624 3.960 0.050 0.000 0.257 34 G C 1.020 176.016 174.900 0.160 0.000 0.997 34 G CA 0.904 46.142 45.100 0.230 0.000 0.708 34 G HN 0.701 nan 8.290 nan 0.000 0.520 35 S N 0.385 116.183 115.700 0.164 0.000 2.603 35 S HA -0.027 4.473 4.470 0.050 0.000 0.229 35 S C 1.893 176.556 174.600 0.105 0.000 0.972 35 S CA 1.115 59.368 58.200 0.089 0.000 0.935 35 S CB -0.498 62.742 63.200 0.066 0.000 0.769 35 S HN 0.926 nan 8.310 nan 0.000 0.536 36 H N 0.660 119.736 119.070 0.011 0.000 2.502 36 H HA 0.287 4.872 4.556 0.049 0.000 0.283 36 H C 0.767 176.106 175.328 0.019 0.000 1.015 36 H CA 0.230 56.286 56.048 0.012 0.000 1.298 36 H CB -0.316 29.453 29.762 0.011 0.000 1.411 36 H HN 0.303 nan 8.280 nan 0.000 0.556 37 R N 2.491 122.687 120.500 -0.507 0.000 2.255 37 R HA 0.348 4.718 4.340 0.050 0.000 0.326 37 R C -2.573 173.634 176.300 -0.154 0.000 0.986 37 R CA -2.047 53.820 56.100 -0.389 0.000 0.847 37 R CB 0.821 30.816 30.300 -0.508 0.000 1.111 37 R HN 0.123 nan 8.270 nan 0.000 0.452 38 P HA 0.129 nan 4.420 nan 0.000 0.271 38 P C -1.004 176.287 177.300 -0.015 0.000 1.216 38 P CA -0.338 62.752 63.100 -0.016 0.000 0.776 38 P CB 1.034 32.750 31.700 0.026 0.000 0.881 39 A N 2.942 125.759 122.820 -0.004 0.000 2.567 39 A HA 0.322 4.672 4.320 0.050 0.000 0.240 39 A C 0.905 178.499 177.584 0.017 0.000 1.053 39 A CA 0.306 52.345 52.037 0.003 0.000 0.755 39 A CB -0.537 18.468 19.000 0.007 0.000 0.978 39 A HN 0.578 nan 8.150 nan 0.000 0.507 40 A N 3.517 126.346 122.820 0.016 0.000 3.168 40 A HA 0.522 4.872 4.320 0.050 0.000 0.260 40 A C 0.309 177.911 177.584 0.030 0.000 1.598 40 A CA 0.135 52.188 52.037 0.026 0.000 1.285 40 A CB -0.729 18.283 19.000 0.020 0.000 1.149 40 A HN 0.950 nan 8.150 nan 0.000 0.630 41 E N -0.795 119.425 120.200 0.034 0.000 2.401 41 E HA 0.441 4.821 4.350 0.050 0.000 0.280 41 E C -3.314 173.309 176.600 0.037 0.000 1.039 41 E CA -2.357 54.065 56.400 0.036 0.000 0.814 41 E CB 0.498 30.214 29.700 0.026 0.000 1.275 41 E HN 0.037 nan 8.360 nan 0.000 0.448 42 P HA 0.081 nan 4.420 nan 0.000 0.263 42 P C -0.841 176.467 177.300 0.013 0.000 1.195 42 P CA 0.441 63.554 63.100 0.023 0.000 0.762 42 P CB 0.536 32.241 31.700 0.008 0.000 0.799 43 T N 0.969 115.527 114.554 0.006 0.000 2.900 43 T HA 0.664 5.044 4.350 0.050 0.000 0.303 43 T C -3.002 171.676 174.700 -0.038 0.000 1.142 43 T CA -2.572 59.527 62.100 -0.001 0.000 1.007 43 T CB 1.824 70.696 68.868 0.007 0.000 1.156 43 T HN 0.047 nan 8.240 nan 0.000 0.490 44 P HA 0.425 nan 4.420 nan 0.000 0.276 44 P C -2.836 174.333 177.300 -0.218 0.000 1.252 44 P CA -1.883 61.089 63.100 -0.213 0.000 0.802 44 P CB -0.851 30.788 31.700 -0.102 0.000 1.035 45 P HA 0.065 nan 4.420 nan 0.000 0.262 45 P C 1.033 178.283 177.300 -0.082 0.000 1.182 45 P CA 1.551 64.551 63.100 -0.168 0.000 0.761 45 P CB -0.306 31.283 31.700 -0.186 0.000 0.795 46 G N 2.823 111.604 108.800 -0.031 0.000 2.217 46 G HA2 -0.315 3.675 3.960 0.050 0.000 0.246 46 G HA3 -0.315 3.675 3.960 0.050 0.000 0.246 46 G C 1.113 176.010 174.900 -0.005 0.000 0.990 46 G CA 0.343 45.438 45.100 -0.008 0.000 0.627 46 G HN 0.658 nan 8.290 nan 0.000 0.522 47 A N -1.050 121.763 122.820 -0.011 0.000 1.970 47 A HA 0.461 4.811 4.320 0.050 0.000 0.216 47 A C 1.296 178.884 177.584 0.005 0.000 1.170 47 A CA 1.899 53.934 52.037 -0.002 0.000 0.645 47 A CB 0.025 19.022 19.000 -0.005 0.000 0.816 47 A HN 0.468 nan 8.150 nan 0.000 0.447 48 Q N -0.985 118.822 119.800 0.011 0.000 2.456 48 Q HA 0.446 4.816 4.340 0.050 0.000 0.284 48 Q C -2.960 173.055 176.000 0.024 0.000 1.061 48 Q CA -1.959 53.854 55.803 0.017 0.000 0.799 48 Q CB 1.128 29.880 28.738 0.024 0.000 1.445 48 Q HN 0.070 nan 8.270 nan 0.000 0.411 49 P HA 0.078 nan 4.420 nan 0.000 0.272 49 P C -0.333 176.997 177.300 0.050 0.000 1.223 49 P CA -0.050 63.064 63.100 0.024 0.000 0.784 49 P CB 0.274 31.985 31.700 0.018 0.000 0.923 50 T N -0.912 113.671 114.554 0.048 0.000 2.860 50 T HA 0.583 4.963 4.350 0.050 0.000 0.299 50 T C -0.012 174.772 174.700 0.139 0.000 1.045 50 T CA -0.524 61.651 62.100 0.124 0.000 1.071 50 T CB 0.579 69.455 68.868 0.013 0.000 0.985 50 T HN 0.552 nan 8.240 nan 0.000 0.537 51 A N 2.058 125.059 122.820 0.302 0.000 2.566 51 A HA 0.807 5.157 4.320 0.050 0.000 0.292 51 A C -2.959 174.891 177.584 0.442 0.000 1.112 51 A CA -2.157 50.034 52.037 0.257 0.000 0.707 51 A CB 0.753 19.858 19.000 0.176 0.000 1.302 51 A HN 0.672 nan 8.150 nan 0.000 0.409 52 P HA 0.117 nan 4.420 nan 0.000 0.265 52 P C 1.160 178.620 177.300 0.267 0.000 1.187 52 P CA 0.823 64.150 63.100 0.378 0.000 0.766 52 P CB 0.509 32.349 31.700 0.233 0.000 0.820 53 G N 2.010 110.931 108.800 0.203 0.000 2.440 53 G HA2 -0.275 3.714 3.960 0.050 0.000 0.218 53 G HA3 -0.275 3.714 3.960 0.050 0.000 0.218 53 G C 1.546 176.471 174.900 0.041 0.000 1.154 53 G CA 1.076 46.206 45.100 0.050 0.000 0.767 53 G HN 0.599 nan 8.290 nan 0.000 0.552 54 S N 0.003 115.730 115.700 0.046 0.000 2.453 54 S HA 0.139 4.639 4.470 0.050 0.000 0.231 54 S C 2.242 176.864 174.600 0.038 0.000 1.005 54 S CA 0.703 58.915 58.200 0.019 0.000 0.949 54 S CB -0.171 63.031 63.200 0.004 0.000 0.774 54 S HN 0.309 nan 8.310 nan 0.000 0.510 55 L N 0.096 121.359 121.223 0.067 0.000 2.168 55 L HA 0.210 4.580 4.340 0.050 0.000 0.203 55 L C 2.746 179.653 176.870 0.061 0.000 1.078 55 L CA 0.931 55.808 54.840 0.063 0.000 0.780 55 L CB -0.413 41.691 42.059 0.076 0.000 0.939 55 L HN 0.244 nan 8.230 nan 0.000 0.451 56 K N 1.397 121.847 120.400 0.083 0.000 2.097 56 K HA -0.045 4.305 4.320 0.050 0.000 0.206 56 K C 0.752 177.386 176.600 0.057 0.000 1.049 56 K CA 1.489 57.824 56.287 0.080 0.000 0.933 56 K CB 0.001 32.568 32.500 0.111 0.000 0.717 56 K HN 0.195 nan 8.250 nan 0.000 0.442 57 A N 0.364 123.210 122.820 0.044 0.000 3.410 57 A HA 0.337 4.687 4.320 0.050 0.000 0.276 57 A C -2.157 175.437 177.584 0.016 0.000 0.995 57 A CA -0.890 51.168 52.037 0.036 0.000 0.934 57 A CB 0.584 19.609 19.000 0.043 0.000 1.191 57 A HN 0.152 nan 8.150 nan 0.000 0.511 58 P HA -0.121 nan 4.420 nan 0.000 0.222 58 P C 0.148 177.443 177.300 -0.007 0.000 1.147 58 P CA 1.055 64.157 63.100 0.002 0.000 0.790 58 P CB 0.305 32.010 31.700 0.008 0.000 0.780 59 D N -0.566 119.834 120.400 0.000 0.000 2.347 59 D HA -0.003 4.667 4.640 0.050 0.000 0.213 59 D C 0.523 176.810 176.300 -0.021 0.000 0.985 59 D CA 0.672 54.668 54.000 -0.007 0.000 0.879 59 D CB -0.454 40.349 40.800 0.005 0.000 0.919 59 D HN 0.162 nan 8.370 nan 0.000 0.526 60 T N 2.519 117.059 114.554 -0.025 0.000 2.884 60 T HA 0.316 4.696 4.350 0.050 0.000 0.298 60 T C 0.603 175.259 174.700 -0.074 0.000 0.998 60 T CA -0.325 61.744 62.100 -0.052 0.000 1.124 60 T CB 1.319 70.156 68.868 -0.052 0.000 0.931 60 T HN 0.137 nan 8.240 nan 0.000 0.531 61 R N 1.614 122.059 120.500 -0.091 0.000 2.734 61 R HA 0.561 4.931 4.340 0.050 0.000 0.271 61 R C -1.577 174.660 176.300 -0.105 0.000 1.021 61 R CA -0.933 55.108 56.100 -0.097 0.000 0.893 61 R CB 1.045 31.296 30.300 -0.082 0.000 1.244 61 R HN 0.772 nan 8.270 nan 0.000 0.464 62 N N -1.555 117.088 118.700 -0.096 0.000 3.308 62 N HA 0.103 4.873 4.740 0.050 0.000 0.276 62 N C 0.065 175.530 175.510 -0.075 0.000 1.533 62 N CA -0.457 52.548 53.050 -0.075 0.000 0.878 62 N CB 0.524 38.997 38.487 -0.024 0.000 1.566 62 N HN 0.699 nan 8.380 nan 0.000 0.546 63 E N -0.356 119.815 120.200 -0.048 0.000 2.077 63 E HA -0.232 4.148 4.350 0.050 0.000 0.193 63 E C 1.069 177.601 176.600 -0.115 0.000 0.989 63 E CA 1.356 57.723 56.400 -0.056 0.000 0.800 63 E CB 0.057 29.751 29.700 -0.010 0.000 0.746 63 E HN 0.458 nan 8.360 nan 0.000 0.452 64 K N 0.853 121.149 120.400 -0.173 0.000 2.025 64 K HA -0.084 4.266 4.320 0.050 0.000 0.207 64 K C 2.112 178.547 176.600 -0.275 0.000 1.049 64 K CA 1.213 57.300 56.287 -0.334 0.000 0.933 64 K CB -0.516 31.619 32.500 -0.608 0.000 0.714 64 K HN 0.188 nan 8.250 nan 0.000 0.438 65 L N 0.935 122.013 121.223 -0.241 0.000 2.079 65 L HA -0.225 4.145 4.340 0.050 0.000 0.210 65 L C 1.848 178.606 176.870 -0.187 0.000 1.081 65 L CA 1.318 55.994 54.840 -0.272 0.000 0.752 65 L CB -0.616 41.281 42.059 -0.270 0.000 0.896 65 L HN 0.252 nan 8.230 nan 0.000 0.433 66 N N -0.324 118.291 118.700 -0.141 0.000 2.120 66 N HA -0.154 4.616 4.740 0.050 0.000 0.188 66 N C 2.046 177.497 175.510 -0.098 0.000 1.024 66 N CA 1.678 54.666 53.050 -0.102 0.000 0.852 66 N CB -0.440 38.000 38.487 -0.077 0.000 1.003 66 N HN 0.371 nan 8.380 nan 0.000 0.424 67 S N 0.119 115.750 115.700 -0.114 0.000 2.515 67 S HA 0.070 4.570 4.470 0.050 0.000 0.231 67 S C 1.743 176.281 174.600 -0.104 0.000 0.987 67 S CA 0.285 58.425 58.200 -0.100 0.000 0.936 67 S CB -0.388 62.749 63.200 -0.105 0.000 0.766 67 S HN 0.225 nan 8.310 nan 0.000 0.528 68 L N 0.729 121.874 121.223 -0.129 0.000 2.554 68 L HA 0.213 4.583 4.340 0.050 0.000 0.226 68 L C 2.588 179.409 176.870 -0.082 0.000 1.137 68 L CA 0.454 55.226 54.840 -0.114 0.000 0.863 68 L CB -0.323 41.647 42.059 -0.147 0.000 0.985 68 L HN 0.263 nan 8.230 nan 0.000 0.451 69 E N 1.202 121.357 120.200 -0.075 0.000 2.160 69 E HA -0.265 4.115 4.350 0.050 0.000 0.195 69 E C 1.625 178.204 176.600 -0.036 0.000 0.991 69 E CA 1.640 58.010 56.400 -0.051 0.000 0.810 69 E CB -0.049 29.624 29.700 -0.045 0.000 0.742 69 E HN 0.589 nan 8.360 nan 0.000 0.466 70 D N -0.609 119.769 120.400 -0.037 0.000 2.263 70 D HA -0.149 4.521 4.640 0.050 0.000 0.208 70 D C 1.676 177.962 176.300 -0.024 0.000 0.971 70 D CA 1.477 55.460 54.000 -0.028 0.000 0.867 70 D CB -0.461 40.323 40.800 -0.028 0.000 0.929 70 D HN 0.305 nan 8.370 nan 0.000 0.492 71 V N -3.524 116.374 119.914 -0.027 0.000 3.660 71 V HA 0.294 4.444 4.120 0.050 0.000 0.276 71 V C 0.837 176.924 176.094 -0.013 0.000 1.317 71 V CA -0.629 61.660 62.300 -0.018 0.000 1.097 71 V CB -0.625 31.188 31.823 -0.018 0.000 0.863 71 V HN -0.144 nan 8.190 nan 0.000 0.438 72 R N 2.329 122.820 120.500 -0.015 0.000 2.489 72 R HA 0.360 4.730 4.340 0.050 0.000 0.287 72 R C -0.353 175.946 176.300 -0.002 0.000 1.053 72 R CA 0.223 56.321 56.100 -0.002 0.000 1.036 72 R CB 0.483 30.781 30.300 -0.003 0.000 0.966 72 R HN 0.462 nan 8.270 nan 0.000 0.432 73 K N 1.721 122.124 120.400 0.004 0.000 2.307 73 K HA 0.263 4.613 4.320 0.050 0.000 0.263 73 K C 0.325 176.938 176.600 0.021 0.000 0.973 73 K CA -0.474 55.803 56.287 -0.017 0.000 0.846 73 K CB 2.246 34.724 32.500 -0.036 0.000 1.100 73 K HN 0.691 nan 8.250 nan 0.000 0.438 74 G N 0.524 109.353 108.800 0.048 0.000 2.504 74 G HA2 0.191 4.181 3.960 0.050 0.000 0.257 74 G HA3 0.191 4.181 3.960 0.050 0.000 0.257 74 G C 0.592 175.600 174.900 0.180 0.000 1.451 74 G CA 0.189 45.377 45.100 0.147 0.000 1.059 74 G HN 0.641 nan 8.290 nan 0.000 0.550 75 S N -2.891 113.001 115.700 0.320 0.000 2.126 75 S HA 0.100 4.600 4.470 0.050 0.000 0.242 75 S C 0.192 174.969 174.600 0.295 0.000 0.898 75 S CA -0.152 58.243 58.200 0.326 0.000 1.395 75 S CB -0.018 63.276 63.200 0.157 0.000 0.966 75 S HN 0.499 nan 8.310 nan 0.000 0.435 76 E N 2.840 123.126 120.200 0.142 0.000 2.415 76 E HA 0.272 4.652 4.350 0.050 0.000 0.263 76 E C -0.175 176.323 176.600 -0.169 0.000 0.995 76 E CA 0.188 56.592 56.400 0.007 0.000 0.915 76 E CB 0.119 29.817 29.700 -0.003 0.000 0.951 76 E HN 0.375 nan 8.360 nan 0.000 0.449 77 N N 0.793 119.415 118.700 -0.129 0.000 2.936 77 N HA -0.216 4.553 4.740 0.050 0.000 0.236 77 N C -0.997 174.364 175.510 -0.248 0.000 0.930 77 N CA 1.161 54.089 53.050 -0.204 0.000 0.966 77 N CB -1.315 37.009 38.487 -0.272 0.000 1.090 77 N HN 0.381 nan 8.380 nan 0.000 0.592 78 Y N 0.722 121.028 120.300 0.011 0.000 2.354 78 Y HA 0.628 5.209 4.550 0.051 0.000 0.322 78 Y C 1.081 176.985 175.900 0.006 0.000 1.253 78 Y CA -0.409 57.696 58.100 0.009 0.000 1.272 78 Y CB 0.809 39.275 38.460 0.009 0.000 1.255 78 Y HN 0.114 nan 8.280 nan 0.000 0.500 79 A N 2.118 125.058 122.820 0.200 0.000 2.371 79 A HA 0.407 4.757 4.320 0.050 0.000 0.257 79 A C -0.754 176.883 177.584 0.089 0.000 1.089 79 A CA -0.556 51.545 52.037 0.107 0.000 0.794 79 A CB 0.090 19.137 19.000 0.079 0.000 1.029 79 A HN 0.719 nan 8.150 nan 0.000 0.488 80 L N 2.678 123.933 121.223 0.053 0.000 2.410 80 L HA 0.485 4.855 4.340 0.050 0.000 0.273 80 L C 0.654 177.535 176.870 0.018 0.000 1.144 80 L CA 1.091 55.947 54.840 0.028 0.000 0.863 80 L CB 0.307 42.374 42.059 0.013 0.000 1.140 80 L HN 0.899 nan 8.230 nan 0.000 0.463 81 T N 0.417 114.976 114.554 0.008 0.000 2.887 81 T HA 0.657 5.037 4.350 0.050 0.000 0.292 81 T C 0.222 174.925 174.700 0.006 0.000 1.087 81 T CA -0.184 61.923 62.100 0.012 0.000 1.009 81 T CB 1.071 69.947 68.868 0.014 0.000 1.203 81 T HN 0.778 nan 8.240 nan 0.000 0.518 82 T N 0.450 115.022 114.554 0.030 0.000 2.701 82 T HA 0.189 4.569 4.350 0.050 0.000 0.303 82 T C 1.062 175.781 174.700 0.031 0.000 1.030 82 T CA -0.478 61.650 62.100 0.046 0.000 1.010 82 T CB -0.084 68.858 68.868 0.122 0.000 1.007 82 T HN 0.575 nan 8.240 nan 0.000 0.532 83 N N 0.531 119.251 118.700 0.033 0.000 2.520 83 N HA -0.063 4.707 4.740 0.050 0.000 0.185 83 N C 1.470 177.000 175.510 0.033 0.000 1.068 83 N CA 0.533 53.595 53.050 0.021 0.000 0.911 83 N CB -0.150 38.357 38.487 0.033 0.000 0.961 83 N HN 0.549 nan 8.380 nan 0.000 0.446 84 Q N -0.586 119.246 119.800 0.053 0.000 2.360 84 Q HA 0.203 4.573 4.340 0.050 0.000 0.202 84 Q C 0.806 176.828 176.000 0.036 0.000 0.915 84 Q CA 0.093 55.922 55.803 0.044 0.000 0.943 84 Q CB 0.408 29.179 28.738 0.054 0.000 1.064 84 Q HN 0.385 nan 8.270 nan 0.000 0.511 85 G N 0.476 109.296 108.800 0.033 0.000 2.132 85 G HA2 -0.239 3.751 3.960 0.050 0.000 0.234 85 G HA3 -0.239 3.751 3.960 0.050 0.000 0.234 85 G C 0.099 175.024 174.900 0.041 0.000 0.989 85 G CA 0.179 45.293 45.100 0.023 0.000 0.676 85 G HN 0.222 nan 8.290 nan 0.000 0.522 86 V N 1.555 121.510 119.914 0.068 0.000 2.461 86 V HA 0.355 4.505 4.120 0.050 0.000 0.275 86 V C 1.314 177.450 176.094 0.070 0.000 1.047 86 V CA -0.547 61.806 62.300 0.089 0.000 0.955 86 V CB 1.120 33.040 31.823 0.162 0.000 0.988 86 V HN 0.403 nan 8.190 nan 0.000 0.471 87 R N 4.325 124.859 120.500 0.056 0.000 2.537 87 R HA 0.363 4.733 4.340 0.050 0.000 0.280 87 R C -0.510 175.807 176.300 0.028 0.000 1.058 87 R CA -0.061 56.063 56.100 0.039 0.000 1.057 87 R CB 0.516 30.838 30.300 0.037 0.000 0.973 87 R HN 0.578 nan 8.270 nan 0.000 0.438 88 I N 1.938 122.512 120.570 0.007 0.000 2.385 88 I HA 0.133 4.333 4.170 0.050 0.000 0.294 88 I C 0.914 177.021 176.117 -0.016 0.000 0.988 88 I CA 0.048 61.336 61.300 -0.021 0.000 1.265 88 I CB 1.902 39.879 38.000 -0.039 0.000 1.388 88 I HN 0.766 nan 8.210 nan 0.000 0.480 89 A N 3.851 126.657 122.820 -0.023 0.000 1.924 89 A HA 0.050 4.400 4.320 0.050 0.000 0.211 89 A C 0.613 178.182 177.584 -0.025 0.000 1.198 89 A CA 0.726 52.754 52.037 -0.016 0.000 0.657 89 A CB 0.107 19.100 19.000 -0.011 0.000 0.852 89 A HN 0.668 nan 8.150 nan 0.000 0.454 90 D N -0.321 120.056 120.400 -0.038 0.000 2.454 90 D HA 0.345 5.015 4.640 0.050 0.000 0.247 90 D C -1.261 175.007 176.300 -0.052 0.000 1.129 90 D CA -0.331 53.645 54.000 -0.041 0.000 0.877 90 D CB 1.211 41.987 40.800 -0.040 0.000 1.082 90 D HN 0.083 nan 8.370 nan 0.000 0.537 91 D N 2.018 122.390 120.400 -0.046 0.000 2.395 91 D HA 0.045 4.715 4.640 0.050 0.000 0.226 91 D C 0.644 176.912 176.300 -0.052 0.000 1.146 91 D CA 0.245 54.214 54.000 -0.053 0.000 0.830 91 D CB 0.502 41.276 40.800 -0.043 0.000 0.958 91 D HN 0.215 nan 8.370 nan 0.000 0.501 92 Q N -0.606 119.165 119.800 -0.048 0.000 2.317 92 Q HA 0.270 4.640 4.340 0.050 0.000 0.220 92 Q C -0.154 175.817 176.000 -0.049 0.000 0.873 92 Q CA 0.224 55.999 55.803 -0.046 0.000 0.936 92 Q CB 0.758 29.474 28.738 -0.037 0.000 1.105 92 Q HN 0.205 nan 8.270 nan 0.000 0.520 93 N N 0.095 118.764 118.700 -0.053 0.000 2.277 93 N HA 0.295 5.065 4.740 0.050 0.000 0.286 93 N C -0.968 174.506 175.510 -0.059 0.000 1.140 93 N CA -0.233 52.787 53.050 -0.050 0.000 0.799 93 N CB 2.126 40.588 38.487 -0.041 0.000 1.596 93 N HN -0.166 nan 8.380 nan 0.000 0.473 94 S N 0.760 116.428 115.700 -0.053 0.000 2.593 94 S HA 0.238 4.738 4.470 0.050 0.000 0.269 94 S C 0.214 174.787 174.600 -0.045 0.000 1.334 94 S CA -0.541 57.627 58.200 -0.053 0.000 1.015 94 S CB 0.675 63.849 63.200 -0.043 0.000 0.912 94 S HN 0.411 nan 8.310 nan 0.000 0.541 95 L N 3.213 124.409 121.223 -0.045 0.000 2.290 95 L HA 0.452 4.822 4.340 0.050 0.000 0.284 95 L C 0.071 176.932 176.870 -0.016 0.000 1.078 95 L CA 0.215 55.037 54.840 -0.030 0.000 0.815 95 L CB -0.003 42.039 42.059 -0.027 0.000 1.162 95 L HN 0.751 nan 8.230 nan 0.000 0.435 96 R N 4.208 124.701 120.500 -0.012 0.000 2.808 96 R HA 0.859 5.228 4.340 0.050 0.000 0.272 96 R C -1.136 175.162 176.300 -0.002 0.000 0.995 96 R CA -0.798 55.298 56.100 -0.007 0.000 0.917 96 R CB 1.239 31.533 30.300 -0.010 0.000 1.217 96 R HN 0.581 nan 8.270 nan 0.000 0.471 97 A N 1.380 124.200 122.820 0.000 0.000 2.807 97 A HA 0.577 4.927 4.320 0.050 0.000 0.307 97 A C 0.603 178.186 177.584 -0.000 0.000 1.532 97 A CA 0.284 52.322 52.037 0.002 0.000 1.215 97 A CB -0.992 18.010 19.000 0.004 0.000 1.127 97 A HN 1.264 nan 8.150 nan 0.000 0.543 98 G N 0.830 109.629 108.800 -0.002 0.000 2.692 98 G HA2 0.031 4.021 3.960 0.050 0.000 0.686 98 G HA3 0.031 4.021 3.960 0.050 0.000 0.686 98 G C 0.673 175.570 174.900 -0.006 0.000 1.243 98 G CA 0.091 45.189 45.100 -0.003 0.000 0.782 98 G HN 1.744 nan 8.290 nan 0.000 0.625 99 S N -0.358 115.337 115.700 -0.007 0.000 2.515 99 S HA 0.016 4.516 4.470 0.050 0.000 0.231 99 S C 1.543 176.137 174.600 -0.010 0.000 0.987 99 S CA 1.386 59.581 58.200 -0.010 0.000 0.936 99 S CB 0.084 63.279 63.200 -0.010 0.000 0.766 99 S HN 0.742 nan 8.310 nan 0.000 0.528 100 R N 0.764 121.259 120.500 -0.008 0.000 2.577 100 R HA 0.341 4.711 4.340 0.050 0.000 0.344 100 R C 0.879 177.175 176.300 -0.007 0.000 1.037 100 R CA 0.043 56.139 56.100 -0.008 0.000 1.102 100 R CB 0.844 31.139 30.300 -0.007 0.000 1.313 100 R HN 0.439 nan 8.270 nan 0.000 0.561 101 G N 1.656 110.453 108.800 -0.006 0.000 2.568 101 G HA2 0.388 4.378 3.960 0.050 0.000 0.293 101 G HA3 0.388 4.378 3.960 0.050 0.000 0.293 101 G C -2.412 172.485 174.900 -0.004 0.000 1.347 101 G CA -1.093 44.004 45.100 -0.004 0.000 1.039 101 G HN -0.110 nan 8.290 nan 0.000 0.523 102 P HA 0.236 nan 4.420 nan 0.000 0.277 102 P C -0.281 177.018 177.300 -0.002 0.000 1.240 102 P CA -0.085 63.014 63.100 -0.001 0.000 0.798 102 P CB 0.961 32.662 31.700 0.002 0.000 0.979 103 T N 2.415 116.968 114.554 -0.003 0.000 2.884 103 T HA 0.278 4.658 4.350 0.050 0.000 0.298 103 T C 0.482 175.185 174.700 0.004 0.000 0.998 103 T CA -0.172 61.926 62.100 -0.003 0.000 1.124 103 T CB 0.033 68.896 68.868 -0.007 0.000 0.931 103 T HN 0.190 nan 8.240 nan 0.000 0.531 104 L N 3.492 124.720 121.223 0.007 0.000 2.334 104 L HA 0.306 4.676 4.340 0.050 0.000 0.277 104 L C 1.378 178.264 176.870 0.027 0.000 1.075 104 L CA -0.787 54.064 54.840 0.018 0.000 0.804 104 L CB 0.904 42.976 42.059 0.022 0.000 1.174 104 L HN 0.508 nan 8.230 nan 0.000 0.438 105 L N 2.341 123.584 121.223 0.033 0.000 2.131 105 L HA -0.185 4.185 4.340 0.050 0.000 0.210 105 L C 2.335 179.244 176.870 0.066 0.000 1.092 105 L CA 1.646 56.512 54.840 0.043 0.000 0.759 105 L CB -0.628 41.454 42.059 0.039 0.000 0.903 105 L HN 0.797 nan 8.230 nan 0.000 0.435 106 E N -1.376 118.867 120.200 0.071 0.000 2.515 106 E HA -0.198 4.182 4.350 0.050 0.000 0.201 106 E C 0.173 176.874 176.600 0.168 0.000 1.071 106 E CA 0.337 56.807 56.400 0.116 0.000 0.880 106 E CB -0.539 29.221 29.700 0.101 0.000 0.828 106 E HN 0.384 nan 8.360 nan 0.000 0.540 107 D N 1.061 121.515 120.400 0.089 0.000 2.455 107 D HA -0.034 4.636 4.640 0.050 0.000 0.234 107 D C 0.442 176.761 176.300 0.032 0.000 1.224 107 D CA -0.506 53.505 54.000 0.017 0.000 0.999 107 D CB -0.107 40.670 40.800 -0.038 0.000 1.072 107 D HN 0.297 nan 8.370 nan 0.000 0.514 108 F N 2.136 122.095 119.950 0.014 0.000 2.407 108 F HA 0.099 4.654 4.527 0.046 0.000 0.299 108 F C 1.562 177.374 175.800 0.020 0.000 1.097 108 F CA 0.162 58.173 58.000 0.019 0.000 1.422 108 F CB -0.575 38.435 39.000 0.018 0.000 1.067 108 F HN 0.193 nan 8.300 nan 0.000 0.539 109 I N 0.244 120.423 120.570 -0.652 0.000 2.333 109 I HA -0.156 4.044 4.170 0.050 0.000 0.246 109 I C 2.430 178.435 176.117 -0.186 0.000 1.106 109 I CA 0.807 61.827 61.300 -0.466 0.000 1.411 109 I CB -0.459 37.199 38.000 -0.570 0.000 1.082 109 I HN 0.263 nan 8.210 nan 0.000 0.420 110 L N 1.183 122.310 121.223 -0.159 0.000 1.989 110 L HA -0.191 4.179 4.340 0.050 0.000 0.211 110 L C 2.622 179.481 176.870 -0.018 0.000 1.071 110 L CA 1.912 56.706 54.840 -0.077 0.000 0.749 110 L CB -0.528 41.493 42.059 -0.063 0.000 0.890 110 L HN 0.044 nan 8.230 nan 0.000 0.431 111 R N -0.699 119.811 120.500 0.016 0.000 2.115 111 R HA -0.141 4.229 4.340 0.050 0.000 0.226 111 R C 2.292 178.647 176.300 0.092 0.000 1.100 111 R CA 1.275 57.413 56.100 0.063 0.000 0.980 111 R CB -0.329 30.023 30.300 0.087 0.000 0.875 111 R HN 0.571 nan 8.270 nan 0.000 0.445 112 E N 1.268 121.527 120.200 0.098 0.000 2.051 112 E HA -0.251 4.129 4.350 0.050 0.000 0.192 112 E C 1.895 178.569 176.600 0.124 0.000 0.991 112 E CA 1.312 57.786 56.400 0.125 0.000 0.799 112 E CB 0.114 29.894 29.700 0.133 0.000 0.748 112 E HN 0.149 nan 8.360 nan 0.000 0.449 113 K N 0.174 120.616 120.400 0.070 0.000 2.057 113 K HA -0.120 4.230 4.320 0.050 0.000 0.206 113 K C 2.114 178.784 176.600 0.118 0.000 1.050 113 K CA 1.162 57.489 56.287 0.067 0.000 0.935 113 K CB 0.020 32.519 32.500 -0.002 0.000 0.715 113 K HN 0.151 nan 8.250 nan 0.000 0.439 114 I N 1.274 121.895 120.570 0.085 0.000 2.500 114 I HA -0.154 4.046 4.170 0.050 0.000 0.252 114 I C 2.054 178.279 176.117 0.179 0.000 1.142 114 I CA 1.152 62.517 61.300 0.108 0.000 1.451 114 I CB -1.334 36.691 38.000 0.042 0.000 1.093 114 I HN 0.210 nan 8.210 nan 0.000 0.430 115 T N -0.109 114.545 114.554 0.166 0.000 2.684 115 T HA -0.244 4.135 4.350 0.050 0.000 0.267 115 T C 1.959 176.807 174.700 0.246 0.000 1.036 115 T CA 1.573 63.798 62.100 0.210 0.000 1.148 115 T CB -0.457 68.538 68.868 0.212 0.000 0.863 115 T HN 0.348 nan 8.240 nan 0.000 0.436 116 H N -0.085 119.082 119.070 0.162 0.000 2.326 116 H HA -0.056 4.526 4.556 0.044 0.000 0.301 116 H C 2.209 177.601 175.328 0.106 0.000 1.081 116 H CA 1.614 57.743 56.048 0.135 0.000 1.334 116 H CB -0.474 29.346 29.762 0.096 0.000 1.385 116 H HN 0.410 nan 8.280 nan 0.000 0.504 117 F N 2.106 122.120 119.950 0.107 0.000 2.091 117 F HA -0.233 4.237 4.527 -0.096 0.000 0.299 117 F C 1.957 177.700 175.800 -0.095 0.000 1.103 117 F CA 1.897 59.904 58.000 0.011 0.000 1.228 117 F CB -0.303 38.699 39.000 0.003 0.000 0.984 117 F HN 0.075 nan 8.300 nan 0.000 0.477 118 D N -1.179 119.162 120.400 -0.099 0.000 2.309 118 D HA -0.138 4.532 4.640 0.050 0.000 0.212 118 D C 1.097 176.977 176.300 -0.700 0.000 0.968 118 D CA 1.172 54.927 54.000 -0.408 0.000 0.882 118 D CB -0.331 40.214 40.800 -0.425 0.000 0.918 118 D HN 0.513 nan 8.370 nan 0.000 0.503 119 H N -0.766 118.189 119.070 -0.192 0.000 2.649 119 H HA 0.221 4.866 4.556 0.149 0.000 0.258 119 H C 0.955 176.125 175.328 -0.264 0.000 1.165 119 H CA -0.141 55.789 56.048 -0.196 0.000 1.006 119 H CB 0.549 30.212 29.762 -0.165 0.000 1.743 119 H HN 0.236 nan 8.280 nan 0.000 0.609 120 E N 0.675 120.713 120.200 -0.270 0.000 2.150 120 E HA -0.046 4.334 4.350 0.050 0.000 0.193 120 E C 0.494 176.939 176.600 -0.259 0.000 0.985 120 E CA 0.584 56.796 56.400 -0.313 0.000 0.814 120 E CB 0.463 29.952 29.700 -0.353 0.000 0.752 120 E HN 0.128 nan 8.360 nan 0.000 0.466 121 R N 1.124 121.531 120.500 -0.155 0.000 2.410 121 R HA 0.354 4.723 4.340 0.050 0.000 0.288 121 R C 0.429 176.764 176.300 0.058 0.000 1.051 121 R CA -0.263 55.819 56.100 -0.030 0.000 1.021 121 R CB 0.638 30.911 30.300 -0.045 0.000 1.032 121 R HN 0.171 nan 8.270 nan 0.000 0.481 122 I N -1.004 119.664 120.570 0.162 0.000 2.957 122 I HA 0.609 4.809 4.170 0.050 0.000 0.310 122 I C -2.204 173.969 176.117 0.094 0.000 1.063 122 I CA -2.920 58.461 61.300 0.136 0.000 1.033 122 I CB 1.861 39.973 38.000 0.188 0.000 1.230 122 I HN 0.237 nan 8.210 nan 0.000 0.447 123 P HA 0.094 nan 4.420 nan 0.000 0.266 123 P C -0.913 176.414 177.300 0.045 0.000 1.195 123 P CA -0.052 63.072 63.100 0.039 0.000 0.768 123 P CB 0.432 32.143 31.700 0.019 0.000 0.838 124 E N 2.727 122.957 120.200 0.050 0.000 2.369 124 E HA 0.183 4.563 4.350 0.050 0.000 0.255 124 E C -0.470 176.155 176.600 0.042 0.000 1.172 124 E CA -0.818 55.617 56.400 0.058 0.000 0.932 124 E CB 0.602 30.342 29.700 0.068 0.000 1.040 124 E HN 0.262 nan 8.360 nan 0.000 0.454 125 R N 0.766 121.298 120.500 0.053 0.000 2.623 125 R HA 0.008 4.378 4.340 0.050 0.000 0.271 125 R C 1.274 177.610 176.300 0.060 0.000 1.043 125 R CA -0.496 55.633 56.100 0.048 0.000 1.083 125 R CB 0.257 30.607 30.300 0.082 0.000 0.974 125 R HN 0.571 nan 8.270 nan 0.000 0.436 126 I N 1.798 122.398 120.570 0.049 0.000 2.208 126 I HA -0.153 4.047 4.170 0.050 0.000 0.245 126 I C 1.239 177.412 176.117 0.094 0.000 1.097 126 I CA 1.562 62.901 61.300 0.064 0.000 1.363 126 I CB -1.062 36.980 38.000 0.070 0.000 1.051 126 I HN 0.416 nan 8.210 nan 0.000 0.413 127 V N -3.528 116.477 119.914 0.152 0.000 3.040 127 V HA 0.511 4.661 4.120 0.050 0.000 0.312 127 V C 0.351 176.623 176.094 0.296 0.000 1.115 127 V CA -0.887 61.532 62.300 0.198 0.000 0.998 127 V CB 1.804 33.822 31.823 0.325 0.000 1.042 127 V HN 0.428 nan 8.190 nan 0.000 0.433 128 H N 0.343 119.482 119.070 0.115 0.000 2.820 128 H HA -0.219 4.366 4.556 0.049 0.000 0.295 128 H C 1.510 176.889 175.328 0.086 0.000 1.187 128 H CA 0.773 56.883 56.048 0.102 0.000 1.144 128 H CB -1.208 28.605 29.762 0.084 0.000 1.354 128 H HN 1.169 nan 8.280 nan 0.000 0.395 129 A N 0.693 123.605 122.820 0.153 0.000 2.015 129 A HA -0.083 4.267 4.320 0.050 0.000 0.219 129 A C 1.655 179.331 177.584 0.153 0.000 1.163 129 A CA 1.237 53.353 52.037 0.132 0.000 0.646 129 A CB -0.033 19.023 19.000 0.093 0.000 0.806 129 A HN 0.279 nan 8.150 nan 0.000 0.448 130 R N -0.010 120.581 120.500 0.152 0.000 2.207 130 R HA 0.534 4.903 4.340 0.050 0.000 0.334 130 R C -0.150 176.278 176.300 0.214 0.000 1.013 130 R CA 0.682 56.890 56.100 0.180 0.000 0.858 130 R CB 0.515 30.905 30.300 0.150 0.000 1.094 130 R HN 0.314 nan 8.270 nan 0.000 0.457 131 G N 0.796 109.750 108.800 0.257 0.000 2.646 131 G HA2 0.507 4.497 3.960 0.050 0.000 0.291 131 G HA3 0.507 4.497 3.960 0.050 0.000 0.291 131 G C -1.656 173.407 174.900 0.272 0.000 1.445 131 G CA -0.631 44.590 45.100 0.202 0.000 0.814 131 G HN 0.507 nan 8.290 nan 0.000 0.495 132 S N -1.093 114.708 115.700 0.168 0.000 2.547 132 S HA 0.889 5.389 4.470 0.050 0.000 0.281 132 S C -0.243 174.370 174.600 0.022 0.000 1.118 132 S CA -0.137 58.217 58.200 0.258 0.000 0.947 132 S CB 1.758 65.224 63.200 0.444 0.000 1.053 132 S HN 1.665 nan 8.310 nan 0.000 0.482 133 A N 1.491 124.282 122.820 -0.048 0.000 2.498 133 A HA 1.019 5.368 4.320 0.050 0.000 0.298 133 A C -0.935 176.426 177.584 -0.370 0.000 1.075 133 A CA -0.733 51.043 52.037 -0.435 0.000 0.714 133 A CB 1.624 20.225 19.000 -0.665 0.000 1.299 133 A HN 1.343 nan 8.150 nan 0.000 0.407 134 A N 0.783 123.238 122.820 -0.607 0.000 2.606 134 A HA 0.735 5.085 4.320 0.050 0.000 0.293 134 A C -0.974 176.399 177.584 -0.352 0.000 1.082 134 A CA -0.654 51.193 52.037 -0.318 0.000 0.685 134 A CB 0.774 19.689 19.000 -0.143 0.000 1.284 134 A HN 0.884 nan 8.150 nan 0.000 0.408 135 H N -0.244 118.857 119.070 0.052 0.000 2.505 135 H HA 0.639 5.224 4.556 0.049 0.000 0.351 135 H C 0.642 175.982 175.328 0.021 0.000 1.151 135 H CA 1.005 57.144 56.048 0.152 0.000 1.339 135 H CB 1.759 31.604 29.762 0.138 0.000 1.483 135 H HN 1.092 nan 8.280 nan 0.000 0.558 136 G N 0.570 109.477 108.800 0.178 0.000 2.570 136 G HA2 0.380 4.369 3.960 0.050 0.000 0.310 136 G HA3 0.380 4.369 3.960 0.050 0.000 0.310 136 G C -2.012 173.033 174.900 0.241 0.000 1.266 136 G CA -0.675 44.495 45.100 0.116 0.000 0.825 136 G HN 0.630 nan 8.290 nan 0.000 0.483 137 Y N -1.846 118.493 120.300 0.065 0.000 2.625 137 Y HA 0.849 5.429 4.550 0.049 0.000 0.338 137 Y C -1.788 174.252 175.900 0.232 0.000 1.123 137 Y CA -1.961 56.222 58.100 0.139 0.000 1.046 137 Y CB 2.057 40.569 38.460 0.086 0.000 1.299 137 Y HN 0.773 nan 8.280 nan 0.000 0.464 138 F N 1.949 122.028 119.950 0.214 0.000 2.565 138 F HA 0.667 5.224 4.527 0.050 0.000 0.313 138 F C -1.300 174.681 175.800 0.303 0.000 1.091 138 F CA -0.556 57.580 58.000 0.227 0.000 0.915 138 F CB 2.384 41.672 39.000 0.480 0.000 1.208 138 F HN 0.794 nan 8.300 nan 0.000 0.453 139 Q N 6.952 126.170 119.800 -0.970 0.000 2.315 139 Q HA 0.506 4.876 4.340 0.050 0.000 0.273 139 Q C -2.956 172.389 176.000 -1.092 0.000 1.053 139 Q CA -2.368 53.046 55.803 -0.648 0.000 0.817 139 Q CB 3.227 31.861 28.738 -0.175 0.000 1.326 139 Q HN 0.351 nan 8.270 nan 0.000 0.423 140 P HA 0.092 nan 4.420 nan 0.000 0.281 140 P C -0.475 176.662 177.300 -0.272 0.000 1.249 140 P CA 0.002 62.847 63.100 -0.426 0.000 0.810 140 P CB 0.654 32.288 31.700 -0.110 0.000 1.008 141 Y N 0.714 120.955 120.300 -0.097 0.000 2.263 141 Y HA -0.078 4.502 4.550 0.050 0.000 0.292 141 Y C 1.529 177.402 175.900 -0.045 0.000 1.130 141 Y CA 0.680 58.743 58.100 -0.063 0.000 1.179 141 Y CB 0.166 38.596 38.460 -0.050 0.000 0.998 141 Y HN 0.353 nan 8.280 nan 0.000 0.532 142 K N -0.996 119.465 120.400 0.101 0.000 2.522 142 K HA 0.408 4.758 4.320 0.050 0.000 0.275 142 K C -0.837 175.766 176.600 0.005 0.000 1.006 142 K CA -0.969 55.345 56.287 0.046 0.000 0.890 142 K CB 1.586 34.114 32.500 0.047 0.000 1.475 142 K HN -0.239 nan 8.250 nan 0.000 0.441 143 S N 0.743 116.443 115.700 0.000 0.000 2.537 143 S HA 0.106 4.606 4.470 0.050 0.000 0.286 143 S C 0.439 175.026 174.600 -0.022 0.000 1.299 143 S CA -0.560 57.630 58.200 -0.016 0.000 1.067 143 S CB -0.229 62.965 63.200 -0.009 0.000 0.864 143 S HN 0.543 nan 8.310 nan 0.000 0.494 144 L N 4.892 126.090 121.223 -0.042 0.000 2.848 144 L HA 0.138 4.508 4.340 0.050 0.000 0.240 144 L C 2.012 178.864 176.870 -0.031 0.000 1.232 144 L CA -0.034 54.789 54.840 -0.029 0.000 1.031 144 L CB -0.259 41.786 42.059 -0.024 0.000 1.338 144 L HN 0.870 nan 8.230 nan 0.000 0.509 145 S N -1.866 113.815 115.700 -0.032 0.000 2.442 145 S HA -0.181 4.319 4.470 0.050 0.000 0.236 145 S C 1.252 175.834 174.600 -0.031 0.000 1.007 145 S CA 1.041 59.220 58.200 -0.034 0.000 0.965 145 S CB -0.136 63.048 63.200 -0.026 0.000 0.773 145 S HN 0.401 nan 8.310 nan 0.000 0.504 146 D N 1.836 122.222 120.400 -0.022 0.000 2.264 146 D HA 0.039 4.709 4.640 0.050 0.000 0.208 146 D C 1.747 178.029 176.300 -0.030 0.000 0.966 146 D CA 1.332 55.319 54.000 -0.021 0.000 0.864 146 D CB -0.118 40.675 40.800 -0.012 0.000 0.933 146 D HN 0.823 nan 8.370 nan 0.000 0.499 147 I N -4.465 116.087 120.570 -0.029 0.000 4.471 147 I HA 0.224 4.424 4.170 0.050 0.000 0.326 147 I C 0.410 176.486 176.117 -0.069 0.000 1.300 147 I CA -0.050 61.225 61.300 -0.042 0.000 1.237 147 I CB 1.259 39.255 38.000 -0.007 0.000 1.195 147 I HN -0.261 nan 8.210 nan 0.000 0.427 148 T N 1.804 116.320 114.554 -0.062 0.000 2.956 148 T HA 0.328 4.708 4.350 0.050 0.000 0.312 148 T C -0.079 174.569 174.700 -0.087 0.000 1.151 148 T CA -0.697 61.347 62.100 -0.093 0.000 1.024 148 T CB 1.779 70.583 68.868 -0.107 0.000 1.140 148 T HN 0.419 nan 8.240 nan 0.000 0.473 149 K N 2.622 122.969 120.400 -0.088 0.000 2.504 149 K HA 0.559 4.909 4.320 0.050 0.000 0.199 149 K C 0.679 177.243 176.600 -0.060 0.000 1.028 149 K CA -0.397 55.850 56.287 -0.067 0.000 1.164 149 K CB 0.159 32.625 32.500 -0.057 0.000 0.877 149 K HN 0.485 nan 8.250 nan 0.000 0.508 150 A N 1.921 124.686 122.820 -0.093 0.000 2.524 150 A HA -0.040 4.310 4.320 0.050 0.000 0.250 150 A C 0.533 178.085 177.584 -0.054 0.000 1.078 150 A CA -0.010 51.985 52.037 -0.071 0.000 0.761 150 A CB 0.200 19.105 19.000 -0.158 0.000 1.012 150 A HN 0.478 nan 8.150 nan 0.000 0.500 151 D N 1.919 122.360 120.400 0.068 0.000 2.178 151 D HA -0.186 4.484 4.640 0.050 0.000 0.202 151 D C 1.349 177.713 176.300 0.107 0.000 0.974 151 D CA 1.999 56.047 54.000 0.080 0.000 0.841 151 D CB -0.232 40.639 40.800 0.118 0.000 0.953 151 D HN 0.710 nan 8.370 nan 0.000 0.478 152 F N -0.608 119.357 119.950 0.026 0.000 2.546 152 F HA 0.140 4.698 4.527 0.051 0.000 0.298 152 F C 1.132 177.013 175.800 0.135 0.000 1.120 152 F CA 0.448 58.503 58.000 0.093 0.000 1.456 152 F CB -0.245 38.802 39.000 0.079 0.000 1.088 152 F HN -0.064 nan 8.300 nan 0.000 0.572 153 L N 0.793 121.717 121.223 -0.498 0.000 2.769 153 L HA 0.185 4.555 4.340 0.050 0.000 0.240 153 L C 1.831 178.607 176.870 -0.158 0.000 1.163 153 L CA 0.344 54.943 54.840 -0.401 0.000 0.962 153 L CB -0.080 41.641 42.059 -0.564 0.000 1.258 153 L HN 0.325 nan 8.230 nan 0.000 0.513 154 S N -2.523 113.130 115.700 -0.079 0.000 2.548 154 S HA 0.069 4.569 4.470 0.050 0.000 0.215 154 S C 0.301 174.895 174.600 -0.010 0.000 0.976 154 S CA -0.204 57.973 58.200 -0.038 0.000 0.908 154 S CB 0.154 63.346 63.200 -0.013 0.000 0.781 154 S HN 0.337 nan 8.310 nan 0.000 0.519 155 D N 0.630 121.032 120.400 0.003 0.000 2.804 155 D HA 0.273 4.943 4.640 0.050 0.000 0.209 155 D C -2.584 173.728 176.300 0.021 0.000 1.314 155 D CA -1.568 52.443 54.000 0.018 0.000 0.894 155 D CB 2.017 42.835 40.800 0.031 0.000 1.615 155 D HN -0.157 nan 8.370 nan 0.000 0.571 156 P HA -0.082 nan 4.420 nan 0.000 0.221 156 P C 0.561 177.875 177.300 0.025 0.000 1.145 156 P CA 0.665 63.774 63.100 0.016 0.000 0.795 156 P CB 0.432 32.152 31.700 0.032 0.000 0.775 157 N N -0.277 118.442 118.700 0.032 0.000 2.467 157 N HA -0.026 4.744 4.740 0.050 0.000 0.184 157 N C 0.739 176.280 175.510 0.053 0.000 1.106 157 N CA 0.453 53.525 53.050 0.037 0.000 0.892 157 N CB -0.117 38.389 38.487 0.031 0.000 0.969 157 N HN 0.291 nan 8.380 nan 0.000 0.454 158 K N 1.495 121.937 120.400 0.070 0.000 2.316 158 K HA 0.211 4.561 4.320 0.050 0.000 0.289 158 K C -0.438 176.254 176.600 0.154 0.000 1.070 158 K CA -0.391 55.962 56.287 0.110 0.000 0.928 158 K CB 0.421 32.999 32.500 0.130 0.000 1.039 158 K HN 0.049 nan 8.250 nan 0.000 0.480 159 I N 1.438 122.103 120.570 0.159 0.000 2.404 159 I HA 0.338 4.538 4.170 0.050 0.000 0.293 159 I C -0.924 175.363 176.117 0.283 0.000 0.992 159 I CA 0.095 61.525 61.300 0.217 0.000 1.149 159 I CB 2.249 40.340 38.000 0.151 0.000 1.315 159 I HN 0.334 nan 8.210 nan 0.000 0.446 160 T N 7.907 122.716 114.554 0.424 0.000 2.791 160 T HA 0.491 4.871 4.350 0.050 0.000 0.288 160 T C -2.566 172.399 174.700 0.442 0.000 0.999 160 T CA -1.064 61.312 62.100 0.460 0.000 0.952 160 T CB 1.282 70.532 68.868 0.637 0.000 0.938 160 T HN 0.461 nan 8.240 nan 0.000 0.444 161 P HA 0.260 nan 4.420 nan 0.000 0.269 161 P C -0.621 176.923 177.300 0.408 0.000 1.209 161 P CA -0.414 62.881 63.100 0.325 0.000 0.776 161 P CB 0.576 32.385 31.700 0.182 0.000 0.876 162 V N -0.319 119.781 119.914 0.309 0.000 3.102 162 V HA 0.742 4.892 4.120 0.050 0.000 0.312 162 V C -1.283 174.985 176.094 0.291 0.000 1.135 162 V CA -0.941 61.459 62.300 0.166 0.000 1.022 162 V CB 2.232 33.927 31.823 -0.213 0.000 1.056 162 V HN 0.327 nan 8.190 nan 0.000 0.436 163 F N 1.639 121.585 119.950 -0.006 0.000 2.539 163 F HA 0.852 5.409 4.527 0.049 0.000 0.318 163 F C -0.990 174.718 175.800 -0.154 0.000 1.135 163 F CA -0.758 57.175 58.000 -0.111 0.000 0.915 163 F CB 2.045 41.014 39.000 -0.052 0.000 1.176 163 F HN 0.518 nan 8.300 nan 0.000 0.440 164 V N 6.566 126.026 119.914 -0.757 0.000 2.588 164 V HA 0.563 4.713 4.120 0.050 0.000 0.304 164 V C -0.779 174.653 176.094 -1.103 0.000 1.042 164 V CA -0.827 60.962 62.300 -0.853 0.000 0.877 164 V CB 2.014 33.266 31.823 -0.953 0.000 0.996 164 V HN 0.748 nan 8.190 nan 0.000 0.425 165 R N 3.765 123.605 120.500 -1.101 0.000 2.437 165 R HA 0.641 5.011 4.340 0.050 0.000 0.310 165 R C -1.626 174.071 176.300 -1.006 0.000 0.955 165 R CA -0.414 55.137 56.100 -0.915 0.000 0.851 165 R CB 1.152 31.084 30.300 -0.614 0.000 1.161 165 R HN 0.548 nan 8.270 nan 0.000 0.446 166 F N 1.909 121.433 119.950 -0.710 0.000 2.432 166 F HA 0.510 5.066 4.527 0.049 0.000 0.329 166 F C 0.434 175.877 175.800 -0.595 0.000 1.076 166 F CA -0.286 57.187 58.000 -0.878 0.000 1.018 166 F CB 2.160 40.118 39.000 -1.735 0.000 1.201 166 F HN 0.587 nan 8.300 nan 0.000 0.489 167 S N -1.080 114.553 115.700 -0.112 0.000 2.625 167 S HA 0.639 5.139 4.470 0.050 0.000 0.271 167 S C -0.547 174.191 174.600 0.230 0.000 1.161 167 S CA -0.933 57.340 58.200 0.121 0.000 0.820 167 S CB 1.383 64.709 63.200 0.210 0.000 1.137 167 S HN 0.709 nan 8.310 nan 0.000 0.470 168 T N -1.499 113.187 114.554 0.221 0.000 2.865 168 T HA 0.668 5.048 4.350 0.050 0.000 0.302 168 T C 0.774 175.445 174.700 -0.048 0.000 1.078 168 T CA -0.109 62.079 62.100 0.146 0.000 0.942 168 T CB 0.225 69.184 68.868 0.151 0.000 1.387 168 T HN 0.599 nan 8.240 nan 0.000 0.557 169 V N -0.281 119.560 119.914 -0.121 0.000 3.058 169 V HA 0.131 4.281 4.120 0.050 0.000 0.233 169 V C 2.697 178.720 176.094 -0.118 0.000 1.255 169 V CA 0.267 62.367 62.300 -0.334 0.000 1.267 169 V CB -0.130 31.583 31.823 -0.183 0.000 1.049 169 V HN 0.854 nan 8.190 nan 0.000 0.486 170 Q N 1.114 120.882 119.800 -0.053 0.000 2.033 170 Q HA 0.068 4.438 4.340 0.050 0.000 0.196 170 Q C 1.288 177.269 176.000 -0.033 0.000 0.970 170 Q CA 1.468 57.238 55.803 -0.054 0.000 0.828 170 Q CB -0.230 28.463 28.738 -0.076 0.000 0.895 170 Q HN 0.582 nan 8.270 nan 0.000 0.440 171 G N -0.224 108.569 108.800 -0.011 0.000 2.606 171 G HA2 0.398 4.388 3.960 0.050 0.000 0.252 171 G HA3 0.398 4.388 3.960 0.050 0.000 0.252 171 G C 0.099 175.007 174.900 0.013 0.000 1.206 171 G CA 0.048 45.145 45.100 -0.005 0.000 0.861 171 G HN 0.344 nan 8.290 nan 0.000 0.561 172 G N -1.274 107.530 108.800 0.006 0.000 2.651 172 G HA2 0.474 4.464 3.960 0.050 0.000 0.260 172 G HA3 0.474 4.464 3.960 0.050 0.000 0.260 172 G C 1.319 176.249 174.900 0.050 0.000 1.216 172 G CA 0.438 45.552 45.100 0.023 0.000 0.913 172 G HN 1.071 nan 8.290 nan 0.000 0.535 173 A N -0.684 122.176 122.820 0.067 0.000 2.070 173 A HA 0.132 4.482 4.320 0.050 0.000 0.220 173 A C 2.159 179.782 177.584 0.065 0.000 1.159 173 A CA 1.930 54.026 52.037 0.099 0.000 0.656 173 A CB -0.315 18.760 19.000 0.126 0.000 0.800 173 A HN 1.133 nan 8.150 nan 0.000 0.453 174 G N -0.183 108.636 108.800 0.031 0.000 3.434 174 G HA2 0.350 4.340 3.960 0.050 0.000 0.258 174 G HA3 0.350 4.340 3.960 0.050 0.000 0.258 174 G C 0.641 175.542 174.900 0.001 0.000 1.128 174 G CA 0.645 45.748 45.100 0.005 0.000 0.792 174 G HN 0.647 nan 8.290 nan 0.000 0.539 175 S N -0.223 115.487 115.700 0.016 0.000 2.661 175 S HA 0.753 5.253 4.470 0.050 0.000 0.265 175 S C 0.429 175.043 174.600 0.023 0.000 1.225 175 S CA -0.060 58.146 58.200 0.010 0.000 0.986 175 S CB 1.627 64.834 63.200 0.012 0.000 1.008 175 S HN 0.575 nan 8.310 nan 0.000 0.565 176 A N 0.165 122.995 122.820 0.016 0.000 2.293 176 A HA 0.467 4.817 4.320 0.050 0.000 0.302 176 A C 0.570 178.175 177.584 0.035 0.000 1.119 176 A CA -0.642 51.401 52.037 0.009 0.000 0.823 176 A CB 0.037 19.025 19.000 -0.019 0.000 1.097 176 A HN 0.858 nan 8.150 nan 0.000 0.491 177 D N 0.626 121.039 120.400 0.020 0.000 2.103 177 D HA -0.077 4.593 4.640 0.050 0.000 0.199 177 D C 1.636 177.912 176.300 -0.041 0.000 0.978 177 D CA 2.306 56.329 54.000 0.038 0.000 0.829 177 D CB -0.240 40.545 40.800 -0.026 0.000 0.981 177 D HN 0.678 nan 8.370 nan 0.000 0.464 178 T N -0.197 114.255 114.554 -0.170 0.000 3.332 178 T HA 0.282 4.662 4.350 0.050 0.000 0.246 178 T C 0.890 175.575 174.700 -0.025 0.000 0.943 178 T CA -0.554 61.433 62.100 -0.188 0.000 0.922 178 T CB -0.960 67.720 68.868 -0.313 0.000 1.086 178 T HN -0.065 nan 8.240 nan 0.000 0.590 179 V N -1.120 118.828 119.914 0.056 0.000 3.432 179 V HA 0.343 4.493 4.120 0.050 0.000 0.304 179 V C 0.746 176.983 176.094 0.238 0.000 1.107 179 V CA -1.246 61.141 62.300 0.145 0.000 1.153 179 V CB 0.244 32.141 31.823 0.123 0.000 1.072 179 V HN 0.593 nan 8.190 nan 0.000 0.485 180 R N 1.658 122.355 120.500 0.328 0.000 2.202 180 R HA 0.488 4.858 4.340 0.050 0.000 0.334 180 R C -1.037 175.342 176.300 0.132 0.000 1.036 180 R CA -0.143 56.097 56.100 0.234 0.000 0.878 180 R CB 0.292 30.663 30.300 0.120 0.000 1.067 180 R HN 1.065 nan 8.270 nan 0.000 0.457 181 D N 3.502 123.991 120.400 0.147 0.000 2.742 181 D HA 0.156 4.826 4.640 0.050 0.000 0.262 181 D C -0.542 175.871 176.300 0.189 0.000 1.240 181 D CA -0.625 53.454 54.000 0.131 0.000 0.752 181 D CB 1.232 42.101 40.800 0.114 0.000 1.290 181 D HN 0.245 nan 8.370 nan 0.000 0.420 182 I N 1.498 122.200 120.570 0.219 0.000 2.836 182 I HA 0.171 4.371 4.170 0.050 0.000 0.285 182 I C 0.880 177.137 176.117 0.233 0.000 1.174 182 I CA 0.076 61.520 61.300 0.240 0.000 1.405 182 I CB -0.107 38.073 38.000 0.300 0.000 1.385 182 I HN 0.236 nan 8.210 nan 0.000 0.594 183 R N 3.260 123.920 120.500 0.266 0.000 2.514 183 R HA 0.566 4.936 4.340 0.050 0.000 0.301 183 R C 0.035 176.527 176.300 0.320 0.000 0.962 183 R CA -0.739 55.534 56.100 0.288 0.000 0.882 183 R CB 1.405 31.894 30.300 0.314 0.000 1.143 183 R HN 0.810 nan 8.270 nan 0.000 0.452 184 G N 0.866 109.876 108.800 0.350 0.000 2.476 184 G HA2 0.492 4.482 3.960 0.050 0.000 0.286 184 G HA3 0.492 4.482 3.960 0.050 0.000 0.286 184 G C -1.280 173.714 174.900 0.158 0.000 1.177 184 G CA -0.073 45.211 45.100 0.307 0.000 0.870 184 G HN 0.364 nan 8.290 nan 0.000 0.528 185 F N 1.376 121.238 119.950 -0.147 0.000 3.034 185 F HA 0.624 5.181 4.527 0.050 0.000 0.371 185 F C -0.271 175.242 175.800 -0.478 0.000 1.233 185 F CA -1.734 56.076 58.000 -0.316 0.000 1.134 185 F CB 1.015 39.939 39.000 -0.127 0.000 1.495 185 F HN 0.672 nan 8.300 nan 0.000 0.563 186 A N 3.401 125.967 122.820 -0.423 0.000 2.303 186 A HA 0.784 5.134 4.320 0.050 0.000 0.320 186 A C -0.630 176.512 177.584 -0.737 0.000 1.192 186 A CA -0.456 51.172 52.037 -0.683 0.000 0.821 186 A CB 0.840 19.128 19.000 -1.188 0.000 1.188 186 A HN 0.528 nan 8.150 nan 0.000 0.492 187 T N 2.333 116.612 114.554 -0.459 0.000 2.809 187 T HA 0.370 4.750 4.350 0.050 0.000 0.284 187 T C -0.283 174.212 174.700 -0.341 0.000 0.992 187 T CA -0.461 61.359 62.100 -0.467 0.000 0.957 187 T CB 1.071 69.579 68.868 -0.601 0.000 0.942 187 T HN 0.623 nan 8.240 nan 0.000 0.439 188 K N 3.487 123.782 120.400 -0.175 0.000 2.264 188 K HA 0.407 4.757 4.320 0.050 0.000 0.277 188 K C -1.203 175.064 176.600 -0.555 0.000 1.067 188 K CA -0.539 55.548 56.287 -0.334 0.000 0.900 188 K CB 0.254 32.493 32.500 -0.434 0.000 1.124 188 K HN 0.404 nan 8.250 nan 0.000 0.469 189 F N 4.244 123.915 119.950 -0.464 0.000 2.405 189 F HA 0.222 4.779 4.527 0.050 0.000 0.355 189 F C -0.360 175.250 175.800 -0.317 0.000 1.121 189 F CA -0.556 57.243 58.000 -0.336 0.000 1.112 189 F CB 0.691 39.405 39.000 -0.476 0.000 1.126 189 F HN 0.441 nan 8.300 nan 0.000 0.481 190 Y N 1.838 122.201 120.300 0.105 0.000 2.714 190 Y HA 0.212 4.791 4.550 0.049 0.000 0.333 190 Y C 1.003 176.965 175.900 0.103 0.000 1.220 190 Y CA -0.884 57.258 58.100 0.070 0.000 1.513 190 Y CB -0.099 38.391 38.460 0.050 0.000 1.435 190 Y HN 0.540 nan 8.280 nan 0.000 0.489 191 T N -2.196 112.459 114.554 0.168 0.000 2.849 191 T HA 0.133 4.513 4.350 0.050 0.000 0.284 191 T C 1.008 175.803 174.700 0.158 0.000 1.004 191 T CA -0.676 61.526 62.100 0.170 0.000 1.021 191 T CB 1.023 69.960 68.868 0.116 0.000 1.013 191 T HN 0.671 nan 8.240 nan 0.000 0.527 192 E N 0.311 120.607 120.200 0.161 0.000 2.472 192 E HA -0.070 4.310 4.350 0.050 0.000 0.200 192 E C 1.043 177.710 176.600 0.111 0.000 1.046 192 E CA 0.791 57.267 56.400 0.128 0.000 0.871 192 E CB 0.090 29.861 29.700 0.119 0.000 0.806 192 E HN 0.745 nan 8.360 nan 0.000 0.533 193 E N -0.084 120.184 120.200 0.113 0.000 2.693 193 E HA 0.262 4.642 4.350 0.050 0.000 0.214 193 E C 0.080 176.730 176.600 0.084 0.000 0.990 193 E CA -0.210 56.249 56.400 0.099 0.000 1.047 193 E CB 1.398 31.159 29.700 0.102 0.000 1.039 193 E HN 0.175 nan 8.360 nan 0.000 0.475 194 G N 1.209 110.053 108.800 0.074 0.000 2.362 194 G HA2 -0.084 3.906 3.960 0.050 0.000 0.656 194 G HA3 -0.084 3.906 3.960 0.050 0.000 0.656 194 G C -0.850 174.063 174.900 0.021 0.000 1.376 194 G CA -1.140 43.982 45.100 0.036 0.000 0.971 194 G HN 0.020 nan 8.290 nan 0.000 0.636 195 I N 0.823 121.370 120.570 -0.038 0.000 2.668 195 I HA 0.257 4.457 4.170 0.050 0.000 0.285 195 I C 0.131 176.257 176.117 0.014 0.000 1.168 195 I CA 0.352 61.598 61.300 -0.090 0.000 1.424 195 I CB 0.397 38.270 38.000 -0.211 0.000 1.377 195 I HN 0.454 nan 8.210 nan 0.000 0.560 196 F N 7.077 126.926 119.950 -0.168 0.000 2.427 196 F HA 0.445 5.002 4.527 0.051 0.000 0.348 196 F C -0.600 175.168 175.800 -0.053 0.000 1.125 196 F CA -1.187 56.713 58.000 -0.167 0.000 0.989 196 F CB 0.794 39.541 39.000 -0.422 0.000 1.165 196 F HN 0.341 nan 8.300 nan 0.000 0.442 197 D N 6.903 127.095 120.400 -0.348 0.000 2.303 197 D HA 0.254 4.924 4.640 0.050 0.000 0.236 197 D C -0.689 175.138 176.300 -0.788 0.000 1.068 197 D CA -0.007 53.735 54.000 -0.430 0.000 0.830 197 D CB 2.386 43.136 40.800 -0.083 0.000 1.109 197 D HN 0.645 nan 8.370 nan 0.000 0.496 198 L N 3.190 123.919 121.223 -0.822 0.000 2.272 198 L HA 0.290 4.660 4.340 0.050 0.000 0.284 198 L C -0.977 175.674 176.870 -0.365 0.000 1.045 198 L CA -0.632 53.804 54.840 -0.673 0.000 0.842 198 L CB 0.687 42.358 42.059 -0.646 0.000 1.224 198 L HN 0.054 nan 8.230 nan 0.000 0.430 199 V N 5.435 125.175 119.914 -0.290 0.000 2.247 199 V HA 0.464 4.614 4.120 0.050 0.000 0.262 199 V C 0.846 176.857 176.094 -0.137 0.000 1.096 199 V CA -0.345 61.804 62.300 -0.252 0.000 0.895 199 V CB 0.489 32.126 31.823 -0.309 0.000 1.141 199 V HN 0.814 nan 8.190 nan 0.000 0.478 200 G N 3.008 111.741 108.800 -0.111 0.000 2.601 200 G HA2 0.654 4.644 3.960 0.050 0.000 0.317 200 G HA3 0.654 4.644 3.960 0.050 0.000 0.317 200 G C -0.784 174.157 174.900 0.068 0.000 1.246 200 G CA -0.567 44.525 45.100 -0.014 0.000 1.012 200 G HN 0.483 nan 8.290 nan 0.000 0.494 201 N N -1.119 117.666 118.700 0.143 0.000 2.701 201 N HA 0.248 5.018 4.740 0.050 0.000 0.290 201 N C 0.433 176.132 175.510 0.315 0.000 1.338 201 N CA -0.783 52.407 53.050 0.234 0.000 0.799 201 N CB 1.350 39.963 38.487 0.210 0.000 1.491 201 N HN 0.522 nan 8.380 nan 0.000 0.540 202 N N -1.325 117.577 118.700 0.336 0.000 2.314 202 N HA -0.002 4.768 4.740 0.050 0.000 0.200 202 N C -0.449 175.334 175.510 0.454 0.000 1.135 202 N CA -0.091 53.209 53.050 0.416 0.000 0.835 202 N CB -0.178 38.526 38.487 0.361 0.000 0.989 202 N HN 0.550 nan 8.380 nan 0.000 0.478 203 T N -3.743 110.904 114.554 0.155 0.000 2.906 203 T HA 0.478 4.858 4.350 0.050 0.000 0.295 203 T C -2.581 171.534 174.700 -0.974 0.000 1.075 203 T CA -1.613 60.144 62.100 -0.572 0.000 1.005 203 T CB 2.908 71.312 68.868 -0.772 0.000 1.136 203 T HN -0.253 nan 8.240 nan 0.000 0.498 204 P HA 0.220 nan 4.420 nan 0.000 0.249 204 P C 0.408 177.207 177.300 -0.835 0.000 1.229 204 P CA 0.080 62.333 63.100 -1.411 0.000 0.788 204 P CB -0.058 30.793 31.700 -1.415 0.000 1.072 205 I N -4.599 115.451 120.570 -0.866 0.000 3.343 205 I HA 0.555 4.755 4.170 0.050 0.000 0.315 205 I C -1.298 174.547 176.117 -0.453 0.000 1.153 205 I CA -1.962 58.972 61.300 -0.611 0.000 0.952 205 I CB 1.288 38.879 38.000 -0.683 0.000 1.287 205 I HN -0.249 nan 8.210 nan 0.000 0.472 206 F N 0.127 119.787 119.950 -0.484 0.000 2.639 206 F HA 0.520 5.076 4.527 0.050 0.000 0.339 206 F C 0.388 175.918 175.800 -0.450 0.000 1.071 206 F CA -0.705 57.041 58.000 -0.424 0.000 0.994 206 F CB 1.936 40.829 39.000 -0.178 0.000 1.341 206 F HN 0.370 nan 8.300 nan 0.000 0.498 207 F N 2.090 121.185 119.950 -1.425 0.000 2.259 207 F HA 0.042 4.599 4.527 0.050 0.000 0.298 207 F C 0.696 176.200 175.800 -0.493 0.000 1.088 207 F CA 0.864 58.274 58.000 -0.984 0.000 1.358 207 F CB -0.153 37.857 39.000 -1.651 0.000 1.040 207 F HN 0.137 nan 8.300 nan 0.000 0.505 208 I N -3.296 117.251 120.570 -0.039 0.000 3.002 208 I HA 0.371 4.571 4.170 0.050 0.000 0.310 208 I C 0.462 176.738 176.117 0.265 0.000 1.087 208 I CA -0.837 60.565 61.300 0.170 0.000 1.017 208 I CB 1.840 40.008 38.000 0.279 0.000 1.226 208 I HN -0.149 nan 8.210 nan 0.000 0.443 209 Q N 0.392 120.340 119.800 0.247 0.000 2.165 209 Q HA 0.111 4.481 4.340 0.050 0.000 0.197 209 Q C -0.213 175.957 176.000 0.284 0.000 0.952 209 Q CA 0.800 56.790 55.803 0.310 0.000 0.848 209 Q CB 0.366 29.353 28.738 0.415 0.000 0.931 209 Q HN 0.654 nan 8.270 nan 0.000 0.470 210 D N -1.239 119.299 120.400 0.230 0.000 2.505 210 D HA 0.305 4.975 4.640 0.050 0.000 0.249 210 D C -0.077 176.344 176.300 0.202 0.000 1.082 210 D CA -0.214 53.889 54.000 0.172 0.000 0.839 210 D CB 1.850 42.724 40.800 0.123 0.000 1.317 210 D HN 0.053 nan 8.370 nan 0.000 0.497 211 A N 3.287 126.196 122.820 0.148 0.000 2.076 211 A HA -0.228 4.122 4.320 0.050 0.000 0.220 211 A C 1.761 179.464 177.584 0.198 0.000 1.160 211 A CA 1.580 53.701 52.037 0.141 0.000 0.653 211 A CB -0.728 18.299 19.000 0.044 0.000 0.801 211 A HN 0.808 nan 8.150 nan 0.000 0.455 212 H N -0.004 119.122 119.070 0.094 0.000 2.489 212 H HA 0.003 4.589 4.556 0.050 0.000 0.293 212 H C 1.628 177.033 175.328 0.127 0.000 1.066 212 H CA 1.800 57.897 56.048 0.082 0.000 1.305 212 H CB 0.054 29.840 29.762 0.040 0.000 1.386 212 H HN 0.405 nan 8.280 nan 0.000 0.551 213 K N -0.624 119.913 120.400 0.228 0.000 2.444 213 K HA -0.047 4.302 4.320 0.050 0.000 0.193 213 K C 1.403 178.146 176.600 0.238 0.000 1.024 213 K CA 0.082 56.500 56.287 0.219 0.000 1.077 213 K CB 0.050 32.729 32.500 0.299 0.000 0.833 213 K HN 0.295 nan 8.250 nan 0.000 0.517 214 F N 2.824 122.832 119.950 0.096 0.000 2.126 214 F HA -0.141 4.416 4.527 0.049 0.000 0.299 214 F C -1.035 174.783 175.800 0.030 0.000 1.096 214 F CA 1.293 59.373 58.000 0.133 0.000 1.255 214 F CB -0.375 38.685 39.000 0.101 0.000 0.997 214 F HN 0.014 nan 8.300 nan 0.000 0.479 215 P HA -0.108 nan 4.420 nan 0.000 0.221 215 P C 0.962 177.961 177.300 -0.502 0.000 1.150 215 P CA 1.483 64.361 63.100 -0.370 0.000 0.800 215 P CB -0.021 31.464 31.700 -0.357 0.000 0.787 216 D N -1.261 118.982 120.400 -0.262 0.000 2.084 216 D HA -0.143 4.527 4.640 0.050 0.000 0.196 216 D C 1.757 177.786 176.300 -0.452 0.000 0.985 216 D CA 1.059 54.941 54.000 -0.198 0.000 0.826 216 D CB -0.792 40.051 40.800 0.071 0.000 0.978 216 D HN 0.150 nan 8.370 nan 0.000 0.456 217 F N 1.815 121.371 119.950 -0.657 0.000 2.102 217 F HA -0.218 4.339 4.527 0.050 0.000 0.298 217 F C 2.245 177.670 175.800 -0.625 0.000 1.105 217 F CA 1.111 58.514 58.000 -0.995 0.000 1.239 217 F CB -0.196 38.474 39.000 -0.551 0.000 0.991 217 F HN -0.250 nan 8.300 nan 0.000 0.474 218 V N 0.403 119.939 119.914 -0.629 0.000 2.343 218 V HA -0.346 3.804 4.120 0.050 0.000 0.247 218 V C 2.322 178.212 176.094 -0.340 0.000 1.051 218 V CA 2.445 64.407 62.300 -0.563 0.000 1.036 218 V CB -1.094 30.403 31.823 -0.544 0.000 0.654 218 V HN 0.475 nan 8.190 nan 0.000 0.451 219 H N -0.220 118.625 119.070 -0.376 0.000 2.352 219 H HA -0.179 4.407 4.556 0.050 0.000 0.299 219 H C 2.360 177.538 175.328 -0.250 0.000 1.097 219 H CA 1.172 57.076 56.048 -0.241 0.000 1.311 219 H CB -0.000 29.665 29.762 -0.161 0.000 1.377 219 H HN 0.487 nan 8.280 nan 0.000 0.504 220 A N 0.454 123.111 122.820 -0.272 0.000 1.883 220 A HA -0.148 4.202 4.320 0.050 0.000 0.217 220 A C 2.562 179.988 177.584 -0.264 0.000 1.186 220 A CA 1.661 53.516 52.037 -0.304 0.000 0.624 220 A CB -0.906 17.775 19.000 -0.531 0.000 0.822 220 A HN 0.305 nan 8.150 nan 0.000 0.444 221 V N -0.025 119.607 119.914 -0.471 0.000 2.591 221 V HA -0.034 4.116 4.120 0.050 0.000 0.249 221 V C 0.966 177.028 176.094 -0.053 0.000 1.053 221 V CA 0.925 63.042 62.300 -0.306 0.000 1.068 221 V CB -0.512 30.947 31.823 -0.606 0.000 0.689 221 V HN 0.365 nan 8.190 nan 0.000 0.462 222 K N 0.929 121.259 120.400 -0.117 0.000 2.286 222 K HA 0.181 4.531 4.320 0.050 0.000 0.256 222 K C -2.256 174.294 176.600 -0.083 0.000 0.999 222 K CA -1.454 54.778 56.287 -0.091 0.000 0.908 222 K CB -0.265 32.171 32.500 -0.106 0.000 0.981 222 K HN 0.182 nan 8.250 nan 0.000 0.500 223 P HA -0.032 nan 4.420 nan 0.000 0.265 223 P C -0.520 176.719 177.300 -0.101 0.000 1.187 223 P CA 0.432 63.400 63.100 -0.220 0.000 0.766 223 P CB 0.389 31.968 31.700 -0.202 0.000 0.820 224 E N 4.854 125.042 120.200 -0.019 0.000 2.383 224 E HA 0.011 4.391 4.350 0.050 0.000 0.264 224 E C -1.278 175.387 176.600 0.109 0.000 1.050 224 E CA -1.337 55.152 56.400 0.148 0.000 0.896 224 E CB 0.191 30.110 29.700 0.365 0.000 0.982 224 E HN 0.417 nan 8.360 nan 0.000 0.424 225 P HA -0.186 nan 4.420 nan 0.000 0.225 225 P C 0.974 178.340 177.300 0.111 0.000 1.156 225 P CA 1.290 64.424 63.100 0.057 0.000 0.787 225 P CB 0.053 31.762 31.700 0.015 0.000 0.802 226 H N -0.520 118.584 119.070 0.056 0.000 2.299 226 H HA -0.090 4.496 4.556 0.051 0.000 0.302 226 H C 1.510 176.934 175.328 0.160 0.000 1.078 226 H CA 1.530 57.602 56.048 0.040 0.000 1.323 226 H CB -1.442 28.274 29.762 -0.075 0.000 1.381 226 H HN 0.298 nan 8.280 nan 0.000 0.498 227 W N 0.222 121.139 121.300 -0.638 0.000 3.008 227 W HA 0.689 5.379 4.660 0.050 0.000 0.355 227 W C 0.544 176.895 176.519 -0.281 0.000 1.095 227 W CA -1.010 56.093 57.345 -0.403 0.000 1.738 227 W CB -0.759 28.451 29.460 -0.416 0.000 1.091 227 W HN 0.455 nan 8.180 nan 0.000 0.574 228 A N 1.292 124.085 122.820 -0.046 0.000 2.610 228 A HA -0.165 4.185 4.320 0.050 0.000 0.299 228 A C -0.351 177.009 177.584 -0.373 0.000 1.487 228 A CA 1.425 53.363 52.037 -0.165 0.000 0.743 228 A CB -2.409 16.519 19.000 -0.119 0.000 1.070 228 A HN 0.464 nan 8.150 nan 0.000 0.439 229 I N 0.527 120.732 120.570 -0.607 0.000 2.647 229 I HA 0.551 4.751 4.170 0.050 0.000 0.295 229 I C -2.437 173.370 176.117 -0.517 0.000 1.078 229 I CA -2.408 58.425 61.300 -0.777 0.000 1.048 229 I CB 2.912 39.941 38.000 -1.618 0.000 1.239 229 I HN 0.207 nan 8.210 nan 0.000 0.421 230 P HA 0.322 nan 4.420 nan 0.000 0.292 230 P C -1.580 175.552 177.300 -0.279 0.000 1.300 230 P CA -0.879 61.995 63.100 -0.376 0.000 0.900 230 P CB 1.649 33.197 31.700 -0.253 0.000 1.139 231 Q N 0.684 120.369 119.800 -0.192 0.000 2.267 231 Q HA 0.498 4.868 4.340 0.050 0.000 0.255 231 Q C 1.065 177.024 176.000 -0.069 0.000 0.923 231 Q CA 0.940 56.667 55.803 -0.127 0.000 0.925 231 Q CB -0.241 28.433 28.738 -0.106 0.000 1.195 231 Q HN 0.821 nan 8.270 nan 0.000 0.417 232 G N 3.247 112.016 108.800 -0.051 0.000 2.179 232 G HA2 -0.284 3.706 3.960 0.050 0.000 0.257 232 G HA3 -0.284 3.706 3.960 0.050 0.000 0.257 232 G C -0.404 174.509 174.900 0.021 0.000 1.010 232 G CA 0.495 45.592 45.100 -0.005 0.000 0.736 232 G HN 0.541 nan 8.290 nan 0.000 0.513 233 Q N -0.987 118.811 119.800 -0.004 0.000 2.315 233 Q HA 0.557 4.927 4.340 0.050 0.000 0.273 233 Q C 0.670 176.681 176.000 0.019 0.000 1.053 233 Q CA -0.134 55.695 55.803 0.044 0.000 0.817 233 Q CB 1.830 30.636 28.738 0.114 0.000 1.326 233 Q HN 0.444 nan 8.270 nan 0.000 0.423 234 S N -0.577 115.039 115.700 -0.141 0.000 2.575 234 S HA 0.233 4.733 4.470 0.050 0.000 0.215 234 S C 0.828 175.364 174.600 -0.107 0.000 0.966 234 S CA -0.070 57.821 58.200 -0.515 0.000 0.911 234 S CB 0.366 62.640 63.200 -1.543 0.000 0.780 234 S HN 0.587 nan 8.310 nan 0.000 0.514 235 A N 2.297 125.261 122.820 0.241 0.000 3.091 235 A HA 0.547 4.897 4.320 0.050 0.000 0.264 235 A C 0.083 177.910 177.584 0.405 0.000 1.673 235 A CA -0.645 51.614 52.037 0.370 0.000 1.362 235 A CB -1.124 18.030 19.000 0.256 0.000 1.137 235 A HN 0.882 nan 8.150 nan 0.000 0.617 236 H N -3.628 115.629 119.070 0.312 0.000 3.017 236 H HA 0.509 5.096 4.556 0.051 0.000 0.346 236 H C -0.239 175.279 175.328 0.318 0.000 1.286 236 H CA -0.797 55.403 56.048 0.253 0.000 1.120 236 H CB 0.336 30.205 29.762 0.178 0.000 1.860 236 H HN 0.059 nan 8.280 nan 0.000 0.542 237 D N 0.224 120.787 120.400 0.272 0.000 2.133 237 D HA -0.221 4.449 4.640 0.050 0.000 0.192 237 D C 2.105 178.456 176.300 0.084 0.000 1.001 237 D CA 3.155 57.252 54.000 0.161 0.000 0.844 237 D CB -0.382 40.491 40.800 0.123 0.000 0.944 237 D HN 0.780 nan 8.370 nan 0.000 0.447 238 T N -1.899 112.689 114.554 0.057 0.000 2.904 238 T HA -0.146 4.234 4.350 0.050 0.000 0.267 238 T C 1.890 176.514 174.700 -0.127 0.000 1.059 238 T CA 0.500 62.606 62.100 0.011 0.000 1.137 238 T CB -0.649 68.271 68.868 0.087 0.000 0.879 238 T HN 0.145 nan 8.240 nan 0.000 0.467 239 F N 0.913 120.540 119.950 -0.537 0.000 2.075 239 F HA 0.071 4.628 4.527 0.050 0.000 0.297 239 F C 1.884 177.398 175.800 -0.477 0.000 1.113 239 F CA 0.796 58.397 58.000 -0.665 0.000 1.218 239 F CB -0.644 37.764 39.000 -0.988 0.000 0.984 239 F HN 0.142 nan 8.300 nan 0.000 0.472 240 W N 0.649 121.898 121.300 -0.086 0.000 2.425 240 W HA -0.119 4.571 4.660 0.050 0.000 0.277 240 W C 2.306 178.754 176.519 -0.118 0.000 1.231 240 W CA 1.006 58.295 57.345 -0.093 0.000 1.248 240 W CB -0.572 28.910 29.460 0.037 0.000 1.117 240 W HN 0.098 nan 8.180 nan 0.000 0.568 241 D N -0.565 119.871 120.400 0.060 0.000 2.078 241 D HA -0.299 4.371 4.640 0.050 0.000 0.193 241 D C 1.888 178.187 176.300 -0.003 0.000 0.990 241 D CA 1.568 55.590 54.000 0.036 0.000 0.827 241 D CB -0.656 40.173 40.800 0.048 0.000 0.975 241 D HN 0.178 nan 8.370 nan 0.000 0.451 242 Y N 0.460 120.648 120.300 -0.187 0.000 2.114 242 Y HA -0.243 4.337 4.550 0.051 0.000 0.282 242 Y C 2.286 178.052 175.900 -0.222 0.000 1.165 242 Y CA 1.725 59.702 58.100 -0.205 0.000 1.148 242 Y CB -0.443 37.850 38.460 -0.278 0.000 0.972 242 Y HN -0.089 nan 8.280 nan 0.000 0.504 243 V N 0.042 119.829 119.914 -0.212 0.000 2.287 243 V HA -0.342 3.808 4.120 0.050 0.000 0.248 243 V C 2.623 178.665 176.094 -0.087 0.000 1.053 243 V CA 2.202 64.377 62.300 -0.209 0.000 1.027 243 V CB -1.248 30.357 31.823 -0.364 0.000 0.646 243 V HN 0.668 nan 8.190 nan 0.000 0.447 244 S N 0.035 115.730 115.700 -0.008 0.000 2.419 244 S HA -0.108 4.392 4.470 0.050 0.000 0.233 244 S C 1.726 176.300 174.600 -0.043 0.000 1.016 244 S CA 1.524 59.743 58.200 0.030 0.000 0.974 244 S CB -0.530 62.715 63.200 0.075 0.000 0.786 244 S HN 0.564 nan 8.310 nan 0.000 0.492 245 L N 0.018 121.167 121.223 -0.123 0.000 2.592 245 L HA 0.322 4.692 4.340 0.050 0.000 0.227 245 L C 0.518 177.221 176.870 -0.278 0.000 1.127 245 L CA 0.132 54.871 54.840 -0.169 0.000 0.884 245 L CB -0.021 41.940 42.059 -0.163 0.000 1.065 245 L HN 0.268 nan 8.230 nan 0.000 0.457 246 Q N 0.015 119.611 119.800 -0.340 0.000 3.255 246 Q HA 0.223 4.593 4.340 0.050 0.000 0.231 246 Q C -2.021 173.757 176.000 -0.369 0.000 0.935 246 Q CA -1.292 54.260 55.803 -0.418 0.000 0.714 246 Q CB 1.609 29.973 28.738 -0.623 0.000 1.345 246 Q HN -0.037 nan 8.270 nan 0.000 0.463 247 P HA -0.202 nan 4.420 nan 0.000 0.225 247 P C 1.065 178.053 177.300 -0.520 0.000 1.148 247 P CA 1.025 63.881 63.100 -0.407 0.000 0.779 247 P CB 0.239 31.672 31.700 -0.445 0.000 0.780 248 E N 0.664 120.403 120.200 -0.769 0.000 2.219 248 E HA -0.202 4.178 4.350 0.050 0.000 0.198 248 E C 1.310 177.840 176.600 -0.117 0.000 0.998 248 E CA 1.930 58.105 56.400 -0.375 0.000 0.818 248 E CB -1.377 28.184 29.700 -0.232 0.000 0.741 248 E HN 0.290 nan 8.360 nan 0.000 0.477 249 T N -0.750 113.749 114.554 -0.091 0.000 3.072 249 T HA 0.038 4.418 4.350 0.050 0.000 0.266 249 T C 1.908 176.671 174.700 0.106 0.000 1.127 249 T CA 0.399 62.525 62.100 0.043 0.000 1.107 249 T CB -0.257 68.679 68.868 0.113 0.000 0.910 249 T HN 0.134 nan 8.240 nan 0.000 0.513 250 L N -0.025 121.258 121.223 0.100 0.000 2.141 250 L HA -0.022 4.348 4.340 0.050 0.000 0.209 250 L C 2.829 179.860 176.870 0.268 0.000 1.094 250 L CA 1.503 56.479 54.840 0.226 0.000 0.763 250 L CB -0.732 41.471 42.059 0.240 0.000 0.908 250 L HN 0.460 nan 8.230 nan 0.000 0.437 251 H N 0.125 119.228 119.070 0.055 0.000 2.270 251 H HA -0.209 4.377 4.556 0.050 0.000 0.299 251 H C 2.126 177.427 175.328 -0.044 0.000 1.077 251 H CA 1.883 57.957 56.048 0.044 0.000 1.294 251 H CB 0.207 29.965 29.762 -0.007 0.000 1.371 251 H HN 0.359 nan 8.280 nan 0.000 0.491 252 N N -0.143 118.335 118.700 -0.370 0.000 2.309 252 N HA -0.127 4.642 4.740 0.050 0.000 0.182 252 N C 1.949 177.258 175.510 -0.335 0.000 1.018 252 N CA 0.733 53.341 53.050 -0.735 0.000 0.876 252 N CB 0.270 37.807 38.487 -1.582 0.000 0.972 252 N HN 0.122 nan 8.380 nan 0.000 0.434 253 V N 1.660 121.611 119.914 0.062 0.000 2.392 253 V HA -0.261 3.889 4.120 0.050 0.000 0.249 253 V C 2.479 178.714 176.094 0.236 0.000 1.059 253 V CA 1.237 63.744 62.300 0.344 0.000 1.051 253 V CB -0.378 31.723 31.823 0.463 0.000 0.658 253 V HN 0.409 nan 8.190 nan 0.000 0.455 254 M N -1.528 118.244 119.600 0.288 0.000 2.082 254 M HA -0.224 4.285 4.480 0.050 0.000 0.258 254 M C 2.080 178.387 176.300 0.011 0.000 1.069 254 M CA 1.971 57.438 55.300 0.278 0.000 1.102 254 M CB -1.245 31.557 32.600 0.335 0.000 1.336 254 M HN 0.472 nan 8.290 nan 0.000 0.404 255 W N 0.520 121.554 121.300 -0.444 0.000 2.355 255 W HA -0.093 4.597 4.660 0.050 0.000 0.309 255 W C 2.840 179.292 176.519 -0.113 0.000 1.206 255 W CA 1.869 58.940 57.345 -0.456 0.000 1.284 255 W CB -1.115 28.005 29.460 -0.568 0.000 1.145 255 W HN 0.298 nan 8.180 nan 0.000 0.502 256 A N -0.594 122.315 122.820 0.147 0.000 1.933 256 A HA -0.203 4.147 4.320 0.050 0.000 0.218 256 A C 1.947 179.579 177.584 0.080 0.000 1.175 256 A CA 1.834 53.959 52.037 0.147 0.000 0.628 256 A CB -0.592 18.537 19.000 0.215 0.000 0.814 256 A HN 0.128 nan 8.150 nan 0.000 0.444 257 M N 0.477 120.082 119.600 0.010 0.000 2.447 257 M HA 0.026 4.536 4.480 0.050 0.000 0.264 257 M C 1.474 177.806 176.300 0.053 0.000 1.095 257 M CA 0.814 56.049 55.300 -0.108 0.000 1.125 257 M CB -1.288 30.984 32.600 -0.547 0.000 1.389 257 M HN 0.552 nan 8.290 nan 0.000 0.459 258 S N 0.226 116.020 115.700 0.158 0.000 2.641 258 S HA 0.090 4.590 4.470 0.050 0.000 0.261 258 S C 0.759 175.485 174.600 0.211 0.000 1.257 258 S CA -0.428 57.908 58.200 0.228 0.000 0.983 258 S CB 0.970 64.353 63.200 0.304 0.000 0.990 258 S HN 0.179 nan 8.310 nan 0.000 0.572 259 D N 0.293 120.838 120.400 0.242 0.000 2.350 259 D HA -0.003 4.667 4.640 0.050 0.000 0.216 259 D C 1.918 178.364 176.300 0.244 0.000 0.968 259 D CA 0.401 54.565 54.000 0.273 0.000 0.894 259 D CB -0.181 40.848 40.800 0.381 0.000 0.909 259 D HN 0.392 nan 8.370 nan 0.000 0.520 260 R N 0.267 120.904 120.500 0.228 0.000 2.139 260 R HA -0.090 4.280 4.340 0.050 0.000 0.243 260 R C 2.054 178.513 176.300 0.265 0.000 1.145 260 R CA 1.105 57.365 56.100 0.267 0.000 0.976 260 R CB -0.905 29.616 30.300 0.368 0.000 0.866 260 R HN 0.195 nan 8.270 nan 0.000 0.449 261 G N 1.195 110.137 108.800 0.236 0.000 2.848 261 G HA2 0.008 3.998 3.960 0.050 0.000 0.208 261 G HA3 0.008 3.998 3.960 0.050 0.000 0.208 261 G C 1.018 176.060 174.900 0.236 0.000 1.152 261 G CA 0.052 45.283 45.100 0.219 0.000 0.789 261 G HN 0.427 nan 8.290 nan 0.000 0.531 262 I N -2.236 118.485 120.570 0.250 0.000 2.948 262 I HA 0.350 4.550 4.170 0.050 0.000 0.308 262 I C -2.866 173.409 176.117 0.262 0.000 1.478 262 I CA -2.543 58.912 61.300 0.259 0.000 0.843 262 I CB 1.660 39.819 38.000 0.265 0.000 2.100 262 I HN -0.260 nan 8.210 nan 0.000 0.625 263 P HA 0.071 nan 4.420 nan 0.000 0.269 263 P C 0.582 178.036 177.300 0.257 0.000 1.215 263 P CA -0.129 63.090 63.100 0.198 0.000 0.780 263 P CB 1.186 32.941 31.700 0.091 0.000 0.898 264 R N 1.661 122.288 120.500 0.212 0.000 2.115 264 R HA 0.019 4.389 4.340 0.050 0.000 0.230 264 R C 0.361 176.806 176.300 0.242 0.000 1.111 264 R CA 1.409 57.675 56.100 0.277 0.000 0.976 264 R CB -0.398 30.034 30.300 0.220 0.000 0.870 264 R HN 0.538 nan 8.270 nan 0.000 0.445 265 S N -2.599 113.033 115.700 -0.113 0.000 2.558 265 S HA 0.215 4.715 4.470 0.050 0.000 0.277 265 S C -0.365 173.895 174.600 -0.567 0.000 1.143 265 S CA -0.868 57.103 58.200 -0.381 0.000 0.865 265 S CB 0.153 63.261 63.200 -0.154 0.000 1.102 265 S HN 0.118 nan 8.310 nan 0.000 0.454 266 Y N 2.545 122.449 120.300 -0.660 0.000 2.315 266 Y HA -0.004 4.575 4.550 0.049 0.000 0.288 266 Y C 2.355 177.899 175.900 -0.593 0.000 1.154 266 Y CA 1.306 58.899 58.100 -0.845 0.000 1.229 266 Y CB -0.338 37.198 38.460 -1.539 0.000 0.980 266 Y HN 0.587 nan 8.280 nan 0.000 0.540 267 R N -0.530 119.831 120.500 -0.231 0.000 2.237 267 R HA -0.054 4.316 4.340 0.050 0.000 0.219 267 R C 1.068 177.326 176.300 -0.069 0.000 1.080 267 R CA 1.524 57.549 56.100 -0.126 0.000 0.995 267 R CB -0.394 29.826 30.300 -0.134 0.000 0.875 267 R HN 0.367 nan 8.270 nan 0.000 0.462 268 T N -2.347 112.182 114.554 -0.043 0.000 3.331 268 T HA 0.322 4.702 4.350 0.050 0.000 0.282 268 T C 0.160 174.896 174.700 0.060 0.000 1.010 268 T CA -0.697 61.406 62.100 0.004 0.000 0.928 268 T CB -0.010 68.845 68.868 -0.022 0.000 1.154 268 T HN 0.062 nan 8.240 nan 0.000 0.516 269 M N -0.887 118.787 119.600 0.123 0.000 2.662 269 M HA 0.736 5.246 4.480 0.050 0.000 0.310 269 M C -1.004 175.463 176.300 0.279 0.000 1.204 269 M CA -0.857 54.555 55.300 0.187 0.000 0.891 269 M CB 2.075 34.784 32.600 0.182 0.000 1.732 269 M HN -0.144 nan 8.290 nan 0.000 0.467 270 E N 0.507 120.861 120.200 0.257 0.000 2.349 270 E HA 0.597 4.977 4.350 0.050 0.000 0.262 270 E C -0.238 176.401 176.600 0.065 0.000 1.088 270 E CA -0.428 56.046 56.400 0.123 0.000 0.899 270 E CB 1.483 31.168 29.700 -0.025 0.000 1.044 270 E HN 0.857 nan 8.360 nan 0.000 0.420 271 G N 0.908 109.589 108.800 -0.199 0.000 2.524 271 G HA2 0.626 4.616 3.960 0.050 0.000 0.310 271 G HA3 0.626 4.616 3.960 0.050 0.000 0.310 271 G C -1.436 173.014 174.900 -0.750 0.000 1.279 271 G CA -0.462 44.501 45.100 -0.229 0.000 0.974 271 G HN 0.281 nan 8.290 nan 0.000 0.484 272 F N -0.493 119.414 119.950 -0.072 0.000 2.601 272 F HA 0.507 5.064 4.527 0.050 0.000 0.309 272 F C 1.070 176.788 175.800 -0.135 0.000 1.089 272 F CA -0.582 57.295 58.000 -0.205 0.000 0.940 272 F CB 2.500 41.331 39.000 -0.282 0.000 1.273 272 F HN 0.593 nan 8.300 nan 0.000 0.450 273 G N -0.461 108.409 108.800 0.116 0.000 2.744 273 G HA2 0.152 4.142 3.960 0.050 0.000 0.211 273 G HA3 0.152 4.142 3.960 0.050 0.000 0.211 273 G C 0.742 175.729 174.900 0.144 0.000 1.143 273 G CA 0.704 45.927 45.100 0.205 0.000 0.788 273 G HN 1.006 nan 8.290 nan 0.000 0.534 274 C N -1.512 117.754 119.300 -0.057 0.000 5.885 274 C HA -0.165 4.325 4.460 0.050 0.000 0.328 274 C C 0.835 175.512 174.990 -0.522 0.000 2.430 274 C CA 0.804 59.602 59.018 -0.368 0.000 2.194 274 C CB -1.917 25.488 27.740 -0.558 0.000 3.233 274 C HN 0.613 nan 8.230 nan 0.000 0.263 275 H N 0.143 119.260 119.070 0.079 0.000 2.710 275 H HA 0.481 5.066 4.556 0.050 0.000 0.361 275 H C -0.162 175.150 175.328 -0.027 0.000 1.175 275 H CA 0.095 56.109 56.048 -0.057 0.000 1.206 275 H CB 0.671 30.268 29.762 -0.275 0.000 1.750 275 H HN 0.313 nan 8.280 nan 0.000 0.553 276 T N 2.687 117.249 114.554 0.013 0.000 2.799 276 T HA 0.185 4.565 4.350 0.050 0.000 0.296 276 T C 0.119 174.784 174.700 -0.059 0.000 0.947 276 T CA 0.293 62.384 62.100 -0.015 0.000 1.141 276 T CB -0.463 68.342 68.868 -0.105 0.000 0.891 276 T HN 0.203 nan 8.240 nan 0.000 0.533 277 F N 1.367 121.282 119.950 -0.058 0.000 2.629 277 F HA 0.661 5.217 4.527 0.049 0.000 0.386 277 F C 1.062 176.824 175.800 -0.063 0.000 1.135 277 F CA -1.371 56.621 58.000 -0.014 0.000 1.116 277 F CB 1.387 40.363 39.000 -0.040 0.000 1.426 277 F HN 0.205 nan 8.300 nan 0.000 0.501 278 R N 0.504 121.074 120.500 0.117 0.000 2.740 278 R HA 0.635 5.005 4.340 0.050 0.000 0.282 278 R C -1.613 174.576 176.300 -0.184 0.000 0.969 278 R CA -0.890 55.139 56.100 -0.119 0.000 0.918 278 R CB 1.946 32.105 30.300 -0.236 0.000 1.175 278 R HN 0.417 nan 8.270 nan 0.000 0.464 279 L N 3.226 124.290 121.223 -0.265 0.000 2.325 279 L HA 0.527 4.897 4.340 0.050 0.000 0.279 279 L C -0.392 176.317 176.870 -0.269 0.000 1.054 279 L CA -0.869 53.820 54.840 -0.251 0.000 0.804 279 L CB 1.120 43.035 42.059 -0.241 0.000 1.200 279 L HN 0.362 nan 8.230 nan 0.000 0.436 280 I N 2.699 123.133 120.570 -0.225 0.000 2.439 280 I HA 0.243 4.442 4.170 0.050 0.000 0.285 280 I C -0.248 175.775 176.117 -0.158 0.000 1.021 280 I CA -0.707 60.458 61.300 -0.225 0.000 1.091 280 I CB 1.346 39.218 38.000 -0.213 0.000 1.242 280 I HN 0.644 nan 8.210 nan 0.000 0.439 281 N N 5.103 123.721 118.700 -0.137 0.000 2.418 281 N HA 0.323 5.093 4.740 0.050 0.000 0.283 281 N C 0.936 176.400 175.510 -0.076 0.000 1.267 281 N CA -0.164 52.829 53.050 -0.095 0.000 0.975 281 N CB 0.593 39.033 38.487 -0.078 0.000 1.167 281 N HN 0.524 nan 8.380 nan 0.000 0.581 282 A N -0.655 122.130 122.820 -0.057 0.000 1.972 282 A HA -0.116 4.234 4.320 0.050 0.000 0.219 282 A C 1.535 179.096 177.584 -0.039 0.000 1.169 282 A CA 1.124 53.133 52.037 -0.045 0.000 0.635 282 A CB -0.612 18.368 19.000 -0.033 0.000 0.810 282 A HN 0.678 nan 8.150 nan 0.000 0.446 283 E N -1.140 119.038 120.200 -0.037 0.000 2.482 283 E HA 0.127 4.507 4.350 0.050 0.000 0.196 283 E C 1.377 177.964 176.600 -0.022 0.000 1.047 283 E CA 0.705 57.089 56.400 -0.027 0.000 0.869 283 E CB -0.430 29.255 29.700 -0.026 0.000 0.836 283 E HN 0.827 nan 8.360 nan 0.000 0.520 284 G N 1.559 110.341 108.800 -0.031 0.000 2.157 284 G HA2 -0.327 3.663 3.960 0.050 0.000 0.239 284 G HA3 -0.327 3.663 3.960 0.050 0.000 0.239 284 G C 0.367 175.271 174.900 0.006 0.000 0.982 284 G CA 0.354 45.453 45.100 -0.001 0.000 0.650 284 G HN 0.298 nan 8.290 nan 0.000 0.527 285 K N 0.917 121.284 120.400 -0.055 0.000 2.322 285 K HA 0.644 4.994 4.320 0.050 0.000 0.283 285 K C 0.600 177.047 176.600 -0.255 0.000 1.042 285 K CA 0.241 56.466 56.287 -0.105 0.000 0.958 285 K CB 0.518 32.963 32.500 -0.091 0.000 0.984 285 K HN 0.573 nan 8.250 nan 0.000 0.473 286 A N 3.500 126.050 122.820 -0.451 0.000 2.301 286 A HA 0.413 4.763 4.320 0.050 0.000 0.312 286 A C -0.709 176.548 177.584 -0.546 0.000 1.182 286 A CA -0.490 51.120 52.037 -0.711 0.000 0.826 286 A CB 1.121 19.232 19.000 -1.482 0.000 1.134 286 A HN 0.724 nan 8.150 nan 0.000 0.501 287 T N 2.284 116.560 114.554 -0.464 0.000 2.841 287 T HA 0.549 4.929 4.350 0.050 0.000 0.283 287 T C -0.573 173.894 174.700 -0.389 0.000 1.000 287 T CA -0.079 61.797 62.100 -0.374 0.000 0.977 287 T CB 0.492 69.238 68.868 -0.202 0.000 0.979 287 T HN 0.342 nan 8.240 nan 0.000 0.446 288 F N 1.871 121.733 119.950 -0.146 0.000 2.471 288 F HA 0.508 5.065 4.527 0.050 0.000 0.353 288 F C 0.577 176.268 175.800 -0.181 0.000 1.113 288 F CA -0.420 57.492 58.000 -0.148 0.000 1.262 288 F CB 0.597 39.535 39.000 -0.105 0.000 1.146 288 F HN 0.169 nan 8.300 nan 0.000 0.578 289 V N 4.573 124.458 119.914 -0.048 0.000 2.760 289 V HA 0.597 4.747 4.120 0.050 0.000 0.309 289 V C -0.930 174.952 176.094 -0.354 0.000 1.077 289 V CA -0.736 61.385 62.300 -0.299 0.000 0.910 289 V CB 1.994 33.412 31.823 -0.676 0.000 1.008 289 V HN 0.779 nan 8.190 nan 0.000 0.424 290 R N 4.737 125.085 120.500 -0.255 0.000 2.562 290 R HA 0.567 4.937 4.340 0.050 0.000 0.298 290 R C -1.613 174.623 176.300 -0.107 0.000 0.961 290 R CA -0.497 55.474 56.100 -0.215 0.000 0.881 290 R CB 2.073 32.364 30.300 -0.014 0.000 1.159 290 R HN 0.590 nan 8.270 nan 0.000 0.450 291 F N 2.145 122.135 119.950 0.067 0.000 2.385 291 F HA 0.358 4.916 4.527 0.050 0.000 0.336 291 F C 0.909 176.662 175.800 -0.079 0.000 1.100 291 F CA -0.047 57.963 58.000 0.017 0.000 1.116 291 F CB 0.893 39.791 39.000 -0.170 0.000 1.166 291 F HN 0.208 nan 8.300 nan 0.000 0.511 292 H N 1.011 120.098 119.070 0.029 0.000 2.717 292 H HA 0.234 4.821 4.556 0.050 0.000 0.366 292 H C -1.542 173.574 175.328 -0.353 0.000 1.132 292 H CA -0.964 55.007 56.048 -0.129 0.000 1.180 292 H CB 1.906 31.677 29.762 0.016 0.000 1.678 292 H HN 0.665 nan 8.280 nan 0.000 0.537 293 W N 2.390 123.594 121.300 -0.160 0.000 2.532 293 W HA 0.322 5.012 4.660 0.050 0.000 0.321 293 W C -0.079 176.472 176.519 0.052 0.000 1.037 293 W CA -0.773 56.520 57.345 -0.088 0.000 1.220 293 W CB 1.751 30.967 29.460 -0.407 0.000 1.361 293 W HN 0.299 nan 8.180 nan 0.000 0.468 294 K N 5.729 126.404 120.400 0.457 0.000 2.265 294 K HA 0.397 4.747 4.320 0.050 0.000 0.267 294 K C -2.420 174.415 176.600 0.392 0.000 0.994 294 K CA -1.920 54.572 56.287 0.342 0.000 0.860 294 K CB 1.405 34.055 32.500 0.249 0.000 1.099 294 K HN 0.036 nan 8.250 nan 0.000 0.448 295 P HA 0.040 nan 4.420 nan 0.000 0.276 295 P C 0.307 177.621 177.300 0.023 0.000 1.253 295 P CA -0.060 63.117 63.100 0.130 0.000 0.766 295 P CB 0.757 32.546 31.700 0.147 0.000 0.845 296 L N 2.680 123.862 121.223 -0.070 0.000 2.395 296 L HA -0.041 4.329 4.340 0.050 0.000 0.218 296 L C 2.169 179.022 176.870 -0.028 0.000 1.130 296 L CA 0.972 55.806 54.840 -0.011 0.000 0.826 296 L CB -0.547 41.513 42.059 0.001 0.000 0.941 296 L HN 0.339 nan 8.230 nan 0.000 0.451 297 A N 0.106 122.881 122.820 -0.076 0.000 2.238 297 A HA 0.385 4.735 4.320 0.050 0.000 0.208 297 A C 1.270 178.850 177.584 -0.006 0.000 1.177 297 A CA 0.706 52.715 52.037 -0.047 0.000 0.804 297 A CB -0.429 18.526 19.000 -0.076 0.000 0.823 297 A HN 0.458 nan 8.150 nan 0.000 0.482 298 G N -0.719 108.091 108.800 0.016 0.000 2.756 298 G HA2 -0.138 3.852 3.960 0.050 0.000 0.678 298 G HA3 -0.138 3.852 3.960 0.050 0.000 0.678 298 G C -0.633 174.293 174.900 0.042 0.000 1.349 298 G CA -0.402 44.725 45.100 0.046 0.000 0.847 298 G HN 0.466 nan 8.290 nan 0.000 0.548 299 K N 0.190 120.618 120.400 0.047 0.000 2.183 299 K HA 0.710 5.060 4.320 0.050 0.000 0.274 299 K C 0.221 176.801 176.600 -0.032 0.000 1.009 299 K CA 0.247 56.543 56.287 0.016 0.000 0.888 299 K CB 1.720 34.218 32.500 -0.003 0.000 1.078 299 K HN 1.436 nan 8.250 nan 0.000 0.459 300 A N 1.830 124.620 122.820 -0.049 0.000 2.540 300 A HA 0.584 4.934 4.320 0.050 0.000 0.297 300 A C -1.134 176.486 177.584 0.060 0.000 1.056 300 A CA -0.674 51.288 52.037 -0.125 0.000 0.700 300 A CB 1.672 20.420 19.000 -0.419 0.000 1.280 300 A HN 0.510 nan 8.150 nan 0.000 0.398 301 S N 0.730 116.627 115.700 0.329 0.000 2.632 301 S HA 0.747 5.247 4.470 0.050 0.000 0.289 301 S C -0.062 174.857 174.600 0.531 0.000 1.115 301 S CA -0.619 57.816 58.200 0.393 0.000 0.889 301 S CB 1.210 64.627 63.200 0.362 0.000 1.116 301 S HN 0.654 nan 8.310 nan 0.000 0.486 302 L N 1.402 122.830 121.223 0.343 0.000 2.482 302 L HA 0.518 4.888 4.340 0.050 0.000 0.242 302 L C 0.206 177.206 176.870 0.216 0.000 1.210 302 L CA -0.728 54.238 54.840 0.210 0.000 0.819 302 L CB 0.108 42.196 42.059 0.049 0.000 1.203 302 L HN 0.499 nan 8.230 nan 0.000 0.495 303 V N -2.964 116.980 119.914 0.050 0.000 2.975 303 V HA 0.189 4.339 4.120 0.050 0.000 0.318 303 V C 0.660 176.705 176.094 -0.082 0.000 1.077 303 V CA -0.764 61.536 62.300 -0.000 0.000 1.000 303 V CB 1.629 33.433 31.823 -0.031 0.000 1.066 303 V HN 0.948 nan 8.190 nan 0.000 0.452 304 W N 1.572 122.739 121.300 -0.223 0.000 2.335 304 W HA -0.195 4.495 4.660 0.049 0.000 0.311 304 W C 1.759 178.121 176.519 -0.261 0.000 1.213 304 W CA 2.449 59.654 57.345 -0.233 0.000 1.274 304 W CB -0.076 29.223 29.460 -0.268 0.000 1.148 304 W HN 1.003 nan 8.180 nan 0.000 0.498 305 D N 0.281 120.404 120.400 -0.461 0.000 2.144 305 D HA -0.286 4.384 4.640 0.050 0.000 0.199 305 D C 2.148 178.105 176.300 -0.572 0.000 0.984 305 D CA 2.050 55.754 54.000 -0.495 0.000 0.834 305 D CB -0.444 40.305 40.800 -0.084 0.000 0.955 305 D HN 0.377 nan 8.370 nan 0.000 0.465 306 E N -0.466 119.277 120.200 -0.762 0.000 2.072 306 E HA -0.150 4.230 4.350 0.050 0.000 0.190 306 E C 1.983 178.239 176.600 -0.573 0.000 0.982 306 E CA 0.932 56.804 56.400 -0.879 0.000 0.803 306 E CB -0.173 28.881 29.700 -1.076 0.000 0.755 306 E HN 0.303 nan 8.360 nan 0.000 0.453 307 A N 1.175 123.682 122.820 -0.522 0.000 1.898 307 A HA -0.222 4.128 4.320 0.050 0.000 0.216 307 A C 2.179 179.438 177.584 -0.540 0.000 1.181 307 A CA 1.600 53.387 52.037 -0.418 0.000 0.620 307 A CB -0.613 18.254 19.000 -0.223 0.000 0.819 307 A HN 0.411 nan 8.150 nan 0.000 0.442 308 Q N -0.420 118.857 119.800 -0.872 0.000 2.050 308 Q HA -0.185 4.185 4.340 0.050 0.000 0.202 308 Q C 2.142 177.865 176.000 -0.461 0.000 0.980 308 Q CA 1.802 57.101 55.803 -0.840 0.000 0.840 308 Q CB -0.149 27.809 28.738 -1.299 0.000 0.898 308 Q HN 0.636 nan 8.270 nan 0.000 0.424 309 K N 0.033 120.184 120.400 -0.414 0.000 2.148 309 K HA -0.142 4.207 4.320 0.050 0.000 0.204 309 K C 2.041 178.499 176.600 -0.238 0.000 1.050 309 K CA 0.672 56.805 56.287 -0.258 0.000 0.942 309 K CB -0.027 32.361 32.500 -0.187 0.000 0.724 309 K HN 0.174 nan 8.250 nan 0.000 0.446 310 L N 1.200 122.239 121.223 -0.307 0.000 2.217 310 L HA -0.117 4.253 4.340 0.050 0.000 0.211 310 L C 2.182 178.914 176.870 -0.230 0.000 1.107 310 L CA 1.994 56.650 54.840 -0.307 0.000 0.783 310 L CB -0.806 40.980 42.059 -0.455 0.000 0.919 310 L HN 0.263 nan 8.230 nan 0.000 0.442 311 T N -4.223 110.200 114.554 -0.220 0.000 2.881 311 T HA -0.057 4.323 4.350 0.050 0.000 0.270 311 T C 1.871 176.506 174.700 -0.108 0.000 1.068 311 T CA 0.945 62.958 62.100 -0.145 0.000 1.131 311 T CB -0.978 67.816 68.868 -0.125 0.000 0.871 311 T HN 0.369 nan 8.240 nan 0.000 0.479 312 G N 1.375 110.104 108.800 -0.119 0.000 2.408 312 G HA2 -0.037 3.953 3.960 0.050 0.000 0.213 312 G HA3 -0.037 3.953 3.960 0.050 0.000 0.213 312 G C 1.915 176.771 174.900 -0.074 0.000 1.177 312 G CA -0.163 44.885 45.100 -0.087 0.000 0.802 312 G HN 0.327 nan 8.290 nan 0.000 0.533 313 R N 0.350 120.798 120.500 -0.088 0.000 2.092 313 R HA 0.017 4.387 4.340 0.050 0.000 0.231 313 R C -0.108 176.165 176.300 -0.045 0.000 1.119 313 R CA 0.948 57.009 56.100 -0.065 0.000 0.970 313 R CB -0.293 29.959 30.300 -0.079 0.000 0.864 313 R HN 0.355 nan 8.270 nan 0.000 0.440 314 D N -0.583 119.784 120.400 -0.055 0.000 2.337 314 D HA 0.137 4.807 4.640 0.050 0.000 0.238 314 D C -2.155 174.144 176.300 -0.002 0.000 1.331 314 D CA -1.765 52.235 54.000 -0.000 0.000 0.967 314 D CB 1.440 42.288 40.800 0.079 0.000 1.382 314 D HN -0.142 nan 8.370 nan 0.000 0.549 315 P HA 0.037 nan 4.420 nan 0.000 0.234 315 P C 0.037 177.343 177.300 0.010 0.000 1.167 315 P CA 0.548 63.636 63.100 -0.020 0.000 0.763 315 P CB 0.551 32.235 31.700 -0.026 0.000 0.835 316 D N -1.460 118.958 120.400 0.030 0.000 2.424 316 D HA 0.076 4.746 4.640 0.050 0.000 0.220 316 D C 1.241 177.584 176.300 0.071 0.000 1.150 316 D CA -0.443 53.581 54.000 0.040 0.000 0.831 316 D CB -0.490 40.311 40.800 0.002 0.000 0.981 316 D HN 0.110 nan 8.370 nan 0.000 0.500 317 F N 1.393 121.290 119.950 -0.087 0.000 2.091 317 F HA -0.260 4.296 4.527 0.049 0.000 0.299 317 F C 2.064 177.845 175.800 -0.032 0.000 1.103 317 F CA 1.910 59.857 58.000 -0.088 0.000 1.228 317 F CB 0.035 38.932 39.000 -0.171 0.000 0.984 317 F HN 0.109 nan 8.300 nan 0.000 0.477 318 H N -1.207 117.789 119.070 -0.124 0.000 2.395 318 H HA -0.082 4.503 4.556 0.050 0.000 0.299 318 H C 2.381 177.601 175.328 -0.180 0.000 1.070 318 H CA 0.826 56.645 56.048 -0.382 0.000 1.356 318 H CB -0.099 29.274 29.762 -0.647 0.000 1.401 318 H HN 0.194 nan 8.280 nan 0.000 0.524 319 R N 1.266 121.860 120.500 0.157 0.000 2.073 319 R HA -0.141 4.229 4.340 0.050 0.000 0.234 319 R C 2.447 178.847 176.300 0.167 0.000 1.134 319 R CA 1.403 57.645 56.100 0.236 0.000 0.952 319 R CB -0.046 30.379 30.300 0.209 0.000 0.850 319 R HN 0.193 nan 8.270 nan 0.000 0.433 320 R N 0.286 120.807 120.500 0.034 0.000 2.081 320 R HA -0.151 4.219 4.340 0.050 0.000 0.235 320 R C 2.169 178.461 176.300 -0.013 0.000 1.131 320 R CA 1.693 57.794 56.100 0.002 0.000 0.960 320 R CB -0.211 30.054 30.300 -0.058 0.000 0.856 320 R HN 0.274 nan 8.270 nan 0.000 0.436 321 E N 0.660 120.743 120.200 -0.194 0.000 2.051 321 E HA -0.199 4.181 4.350 0.050 0.000 0.192 321 E C 2.014 178.579 176.600 -0.058 0.000 0.991 321 E CA 1.083 57.337 56.400 -0.244 0.000 0.799 321 E CB -0.113 29.266 29.700 -0.534 0.000 0.748 321 E HN 0.253 nan 8.360 nan 0.000 0.449 322 L N 1.008 122.239 121.223 0.013 0.000 1.989 322 L HA -0.172 4.198 4.340 0.050 0.000 0.211 322 L C 2.245 179.219 176.870 0.173 0.000 1.071 322 L CA 1.943 56.846 54.840 0.105 0.000 0.749 322 L CB -1.009 41.181 42.059 0.217 0.000 0.890 322 L HN 0.336 nan 8.230 nan 0.000 0.431 323 W N 0.802 122.136 121.300 0.058 0.000 2.363 323 W HA -0.182 4.509 4.660 0.051 0.000 0.296 323 W C 2.184 178.732 176.519 0.048 0.000 1.212 323 W CA 1.983 59.375 57.345 0.079 0.000 1.260 323 W CB -0.072 29.439 29.460 0.085 0.000 1.131 323 W HN 0.370 nan 8.180 nan 0.000 0.530 324 E N 0.068 120.441 120.200 0.288 0.000 2.107 324 E HA -0.129 4.251 4.350 0.050 0.000 0.191 324 E C 2.395 179.018 176.600 0.039 0.000 0.982 324 E CA 1.074 57.561 56.400 0.146 0.000 0.809 324 E CB -0.369 29.370 29.700 0.064 0.000 0.756 324 E HN 0.165 nan 8.360 nan 0.000 0.459 325 A N 1.375 124.214 122.820 0.031 0.000 1.908 325 A HA -0.200 4.150 4.320 0.050 0.000 0.218 325 A C 2.164 179.753 177.584 0.009 0.000 1.181 325 A CA 1.206 53.250 52.037 0.012 0.000 0.627 325 A CB -0.583 18.427 19.000 0.017 0.000 0.818 325 A HN 0.149 nan 8.150 nan 0.000 0.445 326 I N -0.684 119.917 120.570 0.051 0.000 2.315 326 I HA -0.202 3.998 4.170 0.050 0.000 0.248 326 I C 2.412 178.584 176.117 0.092 0.000 1.117 326 I CA 1.260 62.642 61.300 0.137 0.000 1.404 326 I CB -0.381 37.650 38.000 0.051 0.000 1.071 326 I HN 0.420 nan 8.210 nan 0.000 0.419 327 E N 0.855 121.063 120.200 0.014 0.000 2.204 327 E HA -0.162 4.218 4.350 0.050 0.000 0.194 327 E C 2.160 178.764 176.600 0.007 0.000 0.989 327 E CA 1.136 57.558 56.400 0.037 0.000 0.824 327 E CB -0.038 29.718 29.700 0.094 0.000 0.756 327 E HN 0.490 nan 8.360 nan 0.000 0.477 328 A N 0.080 122.875 122.820 -0.042 0.000 2.123 328 A HA 0.199 4.549 4.320 0.050 0.000 0.214 328 A C 1.820 179.310 177.584 -0.156 0.000 1.152 328 A CA 1.012 53.003 52.037 -0.076 0.000 0.728 328 A CB -0.055 18.891 19.000 -0.089 0.000 0.814 328 A HN 0.335 nan 8.150 nan 0.000 0.464 329 G N -0.494 108.098 108.800 -0.348 0.000 2.175 329 G HA2 -0.191 3.799 3.960 0.050 0.000 0.244 329 G HA3 -0.191 3.799 3.960 0.050 0.000 0.244 329 G C -0.215 174.148 174.900 -0.896 0.000 0.982 329 G CA 0.231 44.803 45.100 -0.879 0.000 0.641 329 G HN 0.427 nan 8.290 nan 0.000 0.527 330 D N 1.077 121.218 120.400 -0.433 0.000 2.934 330 D HA 0.266 4.936 4.640 0.050 0.000 0.237 330 D C 0.768 176.982 176.300 -0.142 0.000 1.158 330 D CA -0.106 53.759 54.000 -0.225 0.000 0.971 330 D CB -0.758 40.016 40.800 -0.044 0.000 1.123 330 D HN 0.439 nan 8.370 nan 0.000 0.467 331 F N 1.352 121.307 119.950 0.008 0.000 2.602 331 F HA 0.086 4.643 4.527 0.049 0.000 0.385 331 F C -1.336 174.439 175.800 -0.041 0.000 1.063 331 F CA -1.942 56.056 58.000 -0.004 0.000 1.233 331 F CB -0.111 38.899 39.000 0.017 0.000 1.067 331 F HN -0.090 nan 8.300 nan 0.000 0.564 332 P HA -0.014 nan 4.420 nan 0.000 0.261 332 P C -0.971 176.276 177.300 -0.087 0.000 1.183 332 P CA 0.485 63.571 63.100 -0.023 0.000 0.761 332 P CB 0.430 32.210 31.700 0.132 0.000 0.785 333 E N 2.277 122.275 120.200 -0.337 0.000 2.266 333 E HA 0.472 4.852 4.350 0.050 0.000 0.268 333 E C -1.085 175.240 176.600 -0.458 0.000 0.879 333 E CA -0.584 55.682 56.400 -0.222 0.000 0.762 333 E CB 1.574 31.237 29.700 -0.062 0.000 1.199 333 E HN 0.384 nan 8.360 nan 0.000 0.422 334 Y N 0.231 120.614 120.300 0.138 0.000 2.470 334 Y HA 0.224 4.804 4.550 0.050 0.000 0.341 334 Y C -0.275 175.868 175.900 0.406 0.000 1.021 334 Y CA -0.962 57.296 58.100 0.264 0.000 1.025 334 Y CB 1.989 40.594 38.460 0.241 0.000 1.266 334 Y HN 0.457 nan 8.280 nan 0.000 0.448 335 E N 2.812 123.342 120.200 0.550 0.000 2.200 335 E HA 0.353 4.733 4.350 0.050 0.000 0.283 335 E C -1.346 175.544 176.600 0.485 0.000 1.015 335 E CA -0.891 55.796 56.400 0.477 0.000 0.819 335 E CB 0.944 30.854 29.700 0.351 0.000 1.081 335 E HN 0.578 nan 8.360 nan 0.000 0.397 336 L N 4.340 125.777 121.223 0.356 0.000 2.380 336 L HA 0.461 4.831 4.340 0.050 0.000 0.273 336 L C -0.014 176.789 176.870 -0.112 0.000 1.138 336 L CA 0.628 55.372 54.840 -0.161 0.000 0.832 336 L CB 1.031 42.928 42.059 -0.270 0.000 1.124 336 L HN 0.574 nan 8.230 nan 0.000 0.454 337 G N 4.371 113.113 108.800 -0.098 0.000 2.563 337 G HA2 0.568 4.558 3.960 0.050 0.000 0.302 337 G HA3 0.568 4.558 3.960 0.050 0.000 0.302 337 G C -1.588 173.438 174.900 0.210 0.000 1.301 337 G CA -0.518 44.562 45.100 -0.034 0.000 0.965 337 G HN 0.458 nan 8.290 nan 0.000 0.480 338 F N 0.289 120.258 119.950 0.032 0.000 2.507 338 F HA 0.370 4.927 4.527 0.050 0.000 0.325 338 F C 0.447 176.244 175.800 -0.006 0.000 1.116 338 F CA -0.979 57.042 58.000 0.035 0.000 0.930 338 F CB 2.494 41.498 39.000 0.007 0.000 1.146 338 F HN 0.145 nan 8.300 nan 0.000 0.447 339 Q N 4.295 124.218 119.800 0.205 0.000 2.294 339 Q HA 0.452 4.822 4.340 0.050 0.000 0.257 339 Q C -0.980 175.069 176.000 0.083 0.000 0.955 339 Q CA -0.335 55.533 55.803 0.107 0.000 0.936 339 Q CB 1.860 30.666 28.738 0.114 0.000 1.188 339 Q HN 0.541 nan 8.270 nan 0.000 0.420 340 L N 4.472 125.749 121.223 0.090 0.000 2.313 340 L HA 0.539 4.909 4.340 0.050 0.000 0.283 340 L C -0.883 176.046 176.870 0.098 0.000 1.013 340 L CA -0.794 54.090 54.840 0.074 0.000 0.816 340 L CB 1.168 43.277 42.059 0.083 0.000 1.236 340 L HN 0.518 nan 8.230 nan 0.000 0.419 341 I N 4.823 125.468 120.570 0.125 0.000 2.447 341 I HA 0.410 4.610 4.170 0.050 0.000 0.287 341 I C -2.310 173.918 176.117 0.185 0.000 1.023 341 I CA -1.867 59.552 61.300 0.198 0.000 1.083 341 I CB 1.750 39.909 38.000 0.265 0.000 1.245 341 I HN 0.295 nan 8.210 nan 0.000 0.434 342 P HA 0.055 nan 4.420 nan 0.000 0.269 342 P C 0.736 178.080 177.300 0.074 0.000 1.215 342 P CA -0.214 62.910 63.100 0.040 0.000 0.780 342 P CB 0.808 32.528 31.700 0.033 0.000 0.898 343 E N 2.368 122.519 120.200 -0.082 0.000 2.118 343 E HA -0.256 4.124 4.350 0.050 0.000 0.195 343 E C 1.289 177.964 176.600 0.125 0.000 0.992 343 E CA 1.112 57.467 56.400 -0.075 0.000 0.804 343 E CB -0.009 29.566 29.700 -0.208 0.000 0.741 343 E HN 0.484 nan 8.360 nan 0.000 0.458 344 E N 0.107 120.353 120.200 0.075 0.000 2.516 344 E HA -0.153 4.227 4.350 0.050 0.000 0.199 344 E C 0.244 176.894 176.600 0.083 0.000 1.069 344 E CA 0.716 57.168 56.400 0.087 0.000 0.876 344 E CB 0.107 29.840 29.700 0.055 0.000 0.843 344 E HN 0.241 nan 8.360 nan 0.000 0.530 345 D N 1.157 121.609 120.400 0.087 0.000 2.402 345 D HA 0.015 4.685 4.640 0.050 0.000 0.216 345 D C 1.283 177.579 176.300 -0.007 0.000 1.128 345 D CA -0.035 53.981 54.000 0.026 0.000 0.833 345 D CB 0.256 41.082 40.800 0.043 0.000 0.971 345 D HN 0.362 nan 8.370 nan 0.000 0.503 346 E N -0.169 120.003 120.200 -0.047 0.000 2.114 346 E HA -0.211 4.169 4.350 0.050 0.000 0.199 346 E C 0.374 176.630 176.600 -0.573 0.000 1.008 346 E CA 1.241 57.390 56.400 -0.418 0.000 0.810 346 E CB 0.016 29.276 29.700 -0.733 0.000 0.739 346 E HN 0.265 nan 8.360 nan 0.000 0.456 347 F N -0.528 119.405 119.950 -0.029 0.000 2.684 347 F HA 0.293 4.850 4.527 0.050 0.000 0.298 347 F C 1.203 176.905 175.800 -0.164 0.000 1.120 347 F CA -0.304 57.653 58.000 -0.071 0.000 1.332 347 F CB 0.599 39.575 39.000 -0.041 0.000 0.986 347 F HN -0.194 nan 8.300 nan 0.000 0.524 348 K N 0.141 120.411 120.400 -0.216 0.000 2.487 348 K HA 0.113 4.463 4.320 0.050 0.000 0.192 348 K C -0.314 175.860 176.600 -0.710 0.000 1.027 348 K CA 0.398 56.400 56.287 -0.474 0.000 1.054 348 K CB 0.140 32.294 32.500 -0.578 0.000 0.824 348 K HN 0.157 nan 8.250 nan 0.000 0.510 349 F N -0.363 119.434 119.950 -0.255 0.000 2.541 349 F HA 0.159 4.716 4.527 0.050 0.000 0.331 349 F C 1.175 176.784 175.800 -0.319 0.000 1.057 349 F CA -1.097 56.652 58.000 -0.419 0.000 0.975 349 F CB 0.855 39.227 39.000 -1.046 0.000 1.246 349 F HN -0.218 nan 8.300 nan 0.000 0.484 350 D N 0.514 120.926 120.400 0.019 0.000 2.384 350 D HA -0.037 4.633 4.640 0.050 0.000 0.222 350 D C -0.307 176.102 176.300 0.180 0.000 0.976 350 D CA 1.188 55.269 54.000 0.135 0.000 0.915 350 D CB -0.280 40.693 40.800 0.289 0.000 0.896 350 D HN 0.279 nan 8.370 nan 0.000 0.523 351 F N -1.738 118.295 119.950 0.138 0.000 2.664 351 F HA 0.484 5.040 4.527 0.050 0.000 0.329 351 F C -0.304 175.491 175.800 -0.008 0.000 1.090 351 F CA -1.598 56.408 58.000 0.010 0.000 0.978 351 F CB 0.885 39.844 39.000 -0.067 0.000 1.378 351 F HN -0.419 nan 8.300 nan 0.000 0.495 352 D N 1.252 121.681 120.400 0.049 0.000 2.225 352 D HA 0.260 4.930 4.640 0.050 0.000 0.248 352 D C 0.879 177.133 176.300 -0.076 0.000 1.096 352 D CA -0.197 53.770 54.000 -0.054 0.000 0.863 352 D CB 1.703 42.471 40.800 -0.054 0.000 1.156 352 D HN 0.735 nan 8.370 nan 0.000 0.450 353 L N 3.215 124.333 121.223 -0.175 0.000 2.265 353 L HA -0.108 4.262 4.340 0.050 0.000 0.215 353 L C 1.904 178.658 176.870 -0.193 0.000 1.117 353 L CA 0.706 55.422 54.840 -0.207 0.000 0.782 353 L CB -0.063 41.729 42.059 -0.446 0.000 0.914 353 L HN 0.436 nan 8.230 nan 0.000 0.441 354 L N -0.904 120.224 121.223 -0.158 0.000 2.591 354 L HA 0.069 4.439 4.340 0.050 0.000 0.228 354 L C 0.357 177.172 176.870 -0.092 0.000 1.133 354 L CA -0.136 54.679 54.840 -0.043 0.000 0.880 354 L CB -0.247 41.897 42.059 0.141 0.000 1.033 354 L HN 0.089 nan 8.230 nan 0.000 0.450 355 D N 1.694 121.828 120.400 -0.444 0.000 2.359 355 D HA 0.145 4.815 4.640 0.050 0.000 0.230 355 D C -1.744 174.346 176.300 -0.350 0.000 1.118 355 D CA -2.330 51.153 54.000 -0.861 0.000 0.844 355 D CB 1.674 41.665 40.800 -1.348 0.000 1.059 355 D HN -0.091 nan 8.370 nan 0.000 0.493 356 P HA 0.002 nan 4.420 nan 0.000 0.249 356 P C 0.832 178.045 177.300 -0.146 0.000 1.229 356 P CA 0.415 63.454 63.100 -0.102 0.000 0.788 356 P CB -0.043 31.683 31.700 0.044 0.000 1.072 357 T N -4.202 110.257 114.554 -0.157 0.000 3.129 357 T HA 0.137 4.517 4.350 0.050 0.000 0.251 357 T C 0.753 175.368 174.700 -0.141 0.000 1.117 357 T CA -0.026 61.987 62.100 -0.146 0.000 1.034 357 T CB -0.227 68.599 68.868 -0.070 0.000 0.968 357 T HN -0.135 nan 8.240 nan 0.000 0.526 358 K N 2.152 122.378 120.400 -0.290 0.000 2.182 358 K HA 0.560 4.910 4.320 0.050 0.000 0.262 358 K C -0.289 176.133 176.600 -0.297 0.000 0.957 358 K CA -0.861 55.126 56.287 -0.500 0.000 0.842 358 K CB 2.057 34.160 32.500 -0.662 0.000 1.099 358 K HN 0.305 nan 8.250 nan 0.000 0.438 359 L N -0.174 121.006 121.223 -0.072 0.000 2.352 359 L HA 0.643 5.013 4.340 0.050 0.000 0.269 359 L C -0.087 176.600 176.870 -0.304 0.000 1.034 359 L CA -0.455 54.303 54.840 -0.137 0.000 0.806 359 L CB 0.363 42.419 42.059 -0.005 0.000 1.244 359 L HN 0.446 nan 8.230 nan 0.000 0.447 360 I N 1.689 122.171 120.570 -0.147 0.000 2.307 360 I HA 0.375 4.575 4.170 0.050 0.000 0.289 360 I C -2.117 174.001 176.117 0.003 0.000 1.021 360 I CA -1.687 59.571 61.300 -0.070 0.000 1.224 360 I CB 1.096 39.081 38.000 -0.025 0.000 1.376 360 I HN 0.457 nan 8.210 nan 0.000 0.470 361 P HA 0.055 nan 4.420 nan 0.000 0.267 361 P C 0.301 177.650 177.300 0.082 0.000 1.205 361 P CA 0.002 63.130 63.100 0.047 0.000 0.765 361 P CB 0.624 32.345 31.700 0.034 0.000 0.828 362 E N 1.679 121.940 120.200 0.102 0.000 2.265 362 E HA -0.198 4.182 4.350 0.050 0.000 0.196 362 E C 1.405 178.050 176.600 0.076 0.000 0.996 362 E CA 0.727 57.177 56.400 0.084 0.000 0.832 362 E CB -0.013 29.740 29.700 0.088 0.000 0.756 362 E HN 0.492 nan 8.360 nan 0.000 0.491 363 E N 0.409 120.655 120.200 0.077 0.000 2.160 363 E HA -0.160 4.220 4.350 0.050 0.000 0.195 363 E C 2.004 178.662 176.600 0.098 0.000 0.991 363 E CA 0.866 57.311 56.400 0.075 0.000 0.810 363 E CB 0.046 29.785 29.700 0.064 0.000 0.742 363 E HN 0.361 nan 8.360 nan 0.000 0.466 364 L N -0.705 120.594 121.223 0.127 0.000 2.221 364 L HA 0.054 4.424 4.340 0.050 0.000 0.202 364 L C 0.612 177.595 176.870 0.188 0.000 1.074 364 L CA 0.341 55.297 54.840 0.193 0.000 0.795 364 L CB 0.441 42.680 42.059 0.300 0.000 0.960 364 L HN -0.220 nan 8.230 nan 0.000 0.458 365 V N 1.628 121.621 119.914 0.131 0.000 2.398 365 V HA 0.324 4.474 4.120 0.050 0.000 0.282 365 V C -2.344 173.790 176.094 0.066 0.000 1.014 365 V CA -1.470 60.896 62.300 0.109 0.000 0.838 365 V CB 1.386 33.259 31.823 0.084 0.000 1.018 365 V HN -0.039 nan 8.190 nan 0.000 0.432 366 P HA 0.200 nan 4.420 nan 0.000 0.274 366 P C -0.336 176.960 177.300 -0.006 0.000 1.237 366 P CA -0.076 63.040 63.100 0.026 0.000 0.793 366 P CB 1.261 32.981 31.700 0.034 0.000 0.977 367 V N 2.722 122.599 119.914 -0.062 0.000 2.455 367 V HA 0.100 4.250 4.120 0.050 0.000 0.273 367 V C 0.881 176.958 176.094 -0.028 0.000 1.045 367 V CA -0.002 62.227 62.300 -0.118 0.000 0.976 367 V CB 0.172 31.843 31.823 -0.253 0.000 0.993 367 V HN 0.547 nan 8.190 nan 0.000 0.475 368 Q N 6.056 125.860 119.800 0.006 0.000 2.279 368 Q HA 0.320 4.690 4.340 0.050 0.000 0.256 368 Q C 0.403 176.388 176.000 -0.025 0.000 0.937 368 Q CA -0.746 55.062 55.803 0.009 0.000 0.933 368 Q CB 0.746 29.504 28.738 0.034 0.000 1.189 368 Q HN 0.822 nan 8.270 nan 0.000 0.417 369 R N 2.036 122.547 120.500 0.019 0.000 2.543 369 R HA 0.137 4.507 4.340 0.050 0.000 0.277 369 R C -0.519 175.804 176.300 0.037 0.000 1.074 369 R CA -0.370 55.782 56.100 0.086 0.000 1.076 369 R CB 0.749 31.165 30.300 0.193 0.000 0.993 369 R HN 0.493 nan 8.270 nan 0.000 0.459 370 V N 1.268 121.133 119.914 -0.081 0.000 3.137 370 V HA 0.338 4.488 4.120 0.050 0.000 0.236 370 V C 0.765 176.632 176.094 -0.379 0.000 1.260 370 V CA 0.979 63.109 62.300 -0.284 0.000 1.244 370 V CB 0.852 32.212 31.823 -0.772 0.000 1.016 370 V HN 1.065 nan 8.190 nan 0.000 0.477 371 G N -0.241 108.232 108.800 -0.546 0.000 2.441 371 G HA2 0.496 4.486 3.960 0.050 0.000 0.294 371 G HA3 0.496 4.486 3.960 0.050 0.000 0.294 371 G C -1.890 172.651 174.900 -0.599 0.000 1.393 371 G CA -0.556 43.925 45.100 -1.031 0.000 0.796 371 G HN 0.052 nan 8.290 nan 0.000 0.494 372 K N -0.276 119.755 120.400 -0.614 0.000 2.324 372 K HA 0.735 5.085 4.320 0.050 0.000 0.253 372 K C -0.653 175.955 176.600 0.013 0.000 0.932 372 K CA -0.788 55.457 56.287 -0.070 0.000 0.799 372 K CB 1.938 34.450 32.500 0.020 0.000 1.154 372 K HN 0.591 nan 8.250 nan 0.000 0.425 373 M N 4.571 124.337 119.600 0.277 0.000 2.383 373 M HA 0.432 4.942 4.480 0.050 0.000 0.325 373 M C -1.755 174.525 176.300 -0.033 0.000 1.092 373 M CA -0.765 54.634 55.300 0.166 0.000 0.961 373 M CB 1.728 34.479 32.600 0.253 0.000 1.672 373 M HN 0.366 nan 8.290 nan 0.000 0.438 374 V N 6.124 125.857 119.914 -0.302 0.000 2.531 374 V HA 0.455 4.605 4.120 0.050 0.000 0.301 374 V C -0.712 175.258 176.094 -0.206 0.000 1.034 374 V CA -0.698 61.445 62.300 -0.262 0.000 0.865 374 V CB 1.891 33.441 31.823 -0.455 0.000 0.995 374 V HN 0.817 nan 8.190 nan 0.000 0.424 375 L N 5.449 126.639 121.223 -0.054 0.000 2.262 375 L HA 0.533 4.903 4.340 0.050 0.000 0.288 375 L C 0.423 177.240 176.870 -0.088 0.000 1.035 375 L CA -0.294 54.522 54.840 -0.040 0.000 0.820 375 L CB 1.148 43.227 42.059 0.032 0.000 1.204 375 L HN 0.873 nan 8.230 nan 0.000 0.424 376 N N 2.173 120.745 118.700 -0.214 0.000 2.143 376 N HA 0.130 4.900 4.740 0.050 0.000 0.229 376 N C -0.039 175.335 175.510 -0.226 0.000 1.294 376 N CA -0.386 52.325 53.050 -0.565 0.000 0.883 376 N CB 0.803 38.648 38.487 -1.071 0.000 1.148 376 N HN 0.429 nan 8.380 nan 0.000 0.511 377 R N 0.498 120.955 120.500 -0.072 0.000 2.515 377 R HA 0.307 4.677 4.340 0.050 0.000 0.278 377 R C -1.177 175.090 176.300 -0.055 0.000 1.107 377 R CA -0.543 55.527 56.100 -0.049 0.000 0.945 377 R CB 1.384 31.660 30.300 -0.039 0.000 1.219 377 R HN 0.082 nan 8.270 nan 0.000 0.434 378 N N 3.252 121.796 118.700 -0.261 0.000 2.444 378 N HA 0.215 4.985 4.740 0.050 0.000 0.255 378 N C -2.219 173.236 175.510 -0.091 0.000 1.255 378 N CA -1.074 51.668 53.050 -0.513 0.000 0.933 378 N CB 0.415 37.940 38.487 -1.604 0.000 1.143 378 N HN 0.281 nan 8.380 nan 0.000 0.453 379 P HA 0.068 nan 4.420 nan 0.000 0.271 379 P C 0.194 177.688 177.300 0.322 0.000 1.244 379 P CA -0.068 63.234 63.100 0.337 0.000 0.793 379 P CB 0.928 32.875 31.700 0.413 0.000 0.984 380 D N -0.953 119.606 120.400 0.266 0.000 2.197 380 D HA -0.032 4.638 4.640 0.050 0.000 0.212 380 D C 0.497 176.976 176.300 0.297 0.000 0.963 380 D CA 1.416 55.567 54.000 0.252 0.000 0.864 380 D CB 0.099 40.987 40.800 0.146 0.000 1.009 380 D HN 0.394 nan 8.370 nan 0.000 0.479 381 N N -0.229 118.637 118.700 0.276 0.000 2.448 381 N HA 0.008 4.778 4.740 0.050 0.000 0.279 381 N C 0.048 175.767 175.510 0.349 0.000 1.025 381 N CA -0.335 52.891 53.050 0.293 0.000 0.898 381 N CB 1.568 40.194 38.487 0.231 0.000 1.303 381 N HN -0.147 nan 8.380 nan 0.000 0.495 382 F N 4.328 124.433 119.950 0.257 0.000 2.095 382 F HA -0.172 4.383 4.527 0.048 0.000 0.298 382 F C 1.628 177.569 175.800 0.235 0.000 1.104 382 F CA 1.498 59.653 58.000 0.258 0.000 1.232 382 F CB -0.079 39.045 39.000 0.207 0.000 0.987 382 F HN 0.603 nan 8.300 nan 0.000 0.475 383 F N 0.749 120.944 119.950 0.408 0.000 2.102 383 F HA -0.107 4.458 4.527 0.064 0.000 0.298 383 F C 2.306 178.164 175.800 0.097 0.000 1.105 383 F CA 1.657 59.814 58.000 0.261 0.000 1.239 383 F CB -0.882 38.243 39.000 0.207 0.000 0.991 383 F HN -0.013 nan 8.300 nan 0.000 0.474 384 A N -0.210 122.757 122.820 0.245 0.000 1.902 384 A HA -0.169 4.181 4.320 0.050 0.000 0.217 384 A C 2.095 179.619 177.584 -0.101 0.000 1.181 384 A CA 2.021 54.107 52.037 0.082 0.000 0.623 384 A CB -0.690 18.409 19.000 0.165 0.000 0.818 384 A HN 0.587 nan 8.150 nan 0.000 0.443 385 E N -1.355 118.801 120.200 -0.073 0.000 2.162 385 E HA -0.066 4.314 4.350 0.050 0.000 0.193 385 E C 1.942 178.466 176.600 -0.126 0.000 0.953 385 E CA 0.513 56.811 56.400 -0.170 0.000 0.849 385 E CB -0.093 29.576 29.700 -0.051 0.000 0.810 385 E HN 0.579 nan 8.360 nan 0.000 0.470 386 N N 1.220 119.829 118.700 -0.152 0.000 2.240 386 N HA -0.145 4.625 4.740 0.050 0.000 0.187 386 N C 1.812 177.151 175.510 -0.285 0.000 1.042 386 N CA 1.244 54.146 53.050 -0.248 0.000 0.861 386 N CB 0.084 38.028 38.487 -0.904 0.000 1.026 386 N HN -0.081 nan 8.380 nan 0.000 0.441 387 E N 0.896 120.859 120.200 -0.395 0.000 2.110 387 E HA -0.083 4.297 4.350 0.050 0.000 0.193 387 E C 1.690 178.102 176.600 -0.313 0.000 0.988 387 E CA 1.413 57.661 56.400 -0.255 0.000 0.804 387 E CB -0.148 29.407 29.700 -0.243 0.000 0.745 387 E HN 0.485 nan 8.360 nan 0.000 0.458 388 Q N -0.305 119.238 119.800 -0.429 0.000 2.451 388 Q HA 0.219 4.589 4.340 0.050 0.000 0.206 388 Q C 0.099 175.975 176.000 -0.206 0.000 0.947 388 Q CA 0.270 55.871 55.803 -0.337 0.000 0.937 388 Q CB 0.343 28.862 28.738 -0.365 0.000 1.025 388 Q HN 0.217 nan 8.270 nan 0.000 0.511 389 A N 1.118 123.837 122.820 -0.168 0.000 2.498 389 A HA 0.460 4.810 4.320 0.050 0.000 0.239 389 A C -0.182 177.281 177.584 -0.202 0.000 1.068 389 A CA 0.175 52.087 52.037 -0.209 0.000 0.766 389 A CB 0.259 19.201 19.000 -0.095 0.000 1.003 389 A HN 0.266 nan 8.150 nan 0.000 0.497 390 A N 2.167 124.817 122.820 -0.283 0.000 2.319 390 A HA 0.725 5.075 4.320 0.050 0.000 0.310 390 A C -0.838 176.622 177.584 -0.207 0.000 1.152 390 A CA -0.411 51.533 52.037 -0.155 0.000 0.783 390 A CB 0.411 19.328 19.000 -0.139 0.000 1.184 390 A HN 0.653 nan 8.150 nan 0.000 0.474 391 F N 1.024 120.999 119.950 0.041 0.000 2.480 391 F HA 0.660 5.217 4.527 0.049 0.000 0.329 391 F C 0.254 176.063 175.800 0.015 0.000 1.091 391 F CA -0.096 57.907 58.000 0.005 0.000 0.972 391 F CB 2.141 41.083 39.000 -0.096 0.000 1.150 391 F HN 0.768 nan 8.300 nan 0.000 0.467 392 H N 3.307 122.273 119.070 -0.174 0.000 3.087 392 H HA 0.287 4.873 4.556 0.050 0.000 0.348 392 H C -2.509 172.440 175.328 -0.632 0.000 1.092 392 H CA -1.754 53.940 56.048 -0.589 0.000 1.285 392 H CB 2.783 32.127 29.762 -0.696 0.000 1.875 392 H HN 0.188 nan 8.280 nan 0.000 0.512 393 P HA 0.016 nan 4.420 nan 0.000 0.233 393 P C 1.154 178.310 177.300 -0.240 0.000 1.167 393 P CA 1.224 64.002 63.100 -0.536 0.000 0.770 393 P CB 0.146 31.576 31.700 -0.449 0.000 0.837 394 G N -0.839 107.589 108.800 -0.620 0.000 2.559 394 G HA2 -0.167 3.823 3.960 0.050 0.000 0.216 394 G HA3 -0.167 3.823 3.960 0.050 0.000 0.216 394 G C 0.472 175.559 174.900 0.311 0.000 1.126 394 G CA 0.049 45.166 45.100 0.029 0.000 0.778 394 G HN 0.437 nan 8.290 nan 0.000 0.543 395 H N 0.720 119.899 119.070 0.181 0.000 3.092 395 H HA 0.342 4.928 4.556 0.049 0.000 0.263 395 H C 0.593 176.028 175.328 0.179 0.000 1.611 395 H CA -0.786 55.344 56.048 0.137 0.000 1.457 395 H CB -0.114 29.694 29.762 0.076 0.000 1.731 395 H HN 0.383 nan 8.280 nan 0.000 0.532 396 I N -0.507 120.201 120.570 0.229 0.000 3.217 396 I HA 0.682 4.881 4.170 0.050 0.000 0.308 396 I C -0.131 175.985 176.117 -0.002 0.000 1.091 396 I CA -1.391 59.977 61.300 0.113 0.000 1.013 396 I CB 1.836 39.791 38.000 -0.076 0.000 1.250 396 I HN 0.104 nan 8.210 nan 0.000 0.496 397 V N -2.108 117.781 119.914 -0.041 0.000 3.102 397 V HA 0.686 4.836 4.120 0.050 0.000 0.312 397 V C -2.830 173.365 176.094 0.168 0.000 1.135 397 V CA -2.539 59.795 62.300 0.056 0.000 1.022 397 V CB 0.972 32.806 31.823 0.018 0.000 1.056 397 V HN 0.637 nan 8.190 nan 0.000 0.436 398 P HA 0.365 nan 4.420 nan 0.000 0.264 398 P C 0.909 178.206 177.300 -0.005 0.000 1.183 398 P CA 1.984 65.155 63.100 0.119 0.000 0.763 398 P CB 0.711 32.455 31.700 0.074 0.000 0.807 399 G N 1.381 110.131 108.800 -0.085 0.000 2.218 399 G HA2 -0.164 3.826 3.960 0.050 0.000 0.216 399 G HA3 -0.164 3.826 3.960 0.050 0.000 0.216 399 G C -0.246 174.563 174.900 -0.151 0.000 0.994 399 G CA -0.365 44.664 45.100 -0.118 0.000 0.637 399 G HN 0.448 nan 8.290 nan 0.000 0.505 400 L N 0.082 121.226 121.223 -0.132 0.000 2.319 400 L HA 0.932 5.302 4.340 0.050 0.000 0.267 400 L C -0.415 176.399 176.870 -0.095 0.000 1.011 400 L CA -1.071 53.675 54.840 -0.156 0.000 0.818 400 L CB 2.018 43.912 42.059 -0.274 0.000 1.316 400 L HN 0.096 nan 8.230 nan 0.000 0.432 401 D N -0.667 119.663 120.400 -0.117 0.000 2.665 401 D HA 0.459 5.129 4.640 0.050 0.000 0.287 401 D C -1.141 175.078 176.300 -0.135 0.000 1.266 401 D CA -0.387 53.496 54.000 -0.195 0.000 0.830 401 D CB 1.818 42.582 40.800 -0.060 0.000 1.356 401 D HN 0.134 nan 8.370 nan 0.000 0.437 402 F N -0.230 119.843 119.950 0.205 0.000 2.251 402 F HA 0.526 5.083 4.527 0.050 0.000 0.302 402 F C 1.521 177.335 175.800 0.024 0.000 1.143 402 F CA -0.176 57.858 58.000 0.057 0.000 1.104 402 F CB 1.003 40.013 39.000 0.018 0.000 1.516 402 F HN 0.250 nan 8.300 nan 0.000 0.511 403 T N -3.355 111.294 114.554 0.158 0.000 2.716 403 T HA 0.298 4.678 4.350 0.050 0.000 0.286 403 T C -0.185 174.553 174.700 0.063 0.000 1.052 403 T CA -0.982 61.201 62.100 0.138 0.000 1.024 403 T CB 1.148 70.079 68.868 0.106 0.000 1.349 403 T HN 0.329 nan 8.240 nan 0.000 0.525 404 N N 1.147 119.890 118.700 0.071 0.000 2.370 404 N HA 0.077 4.847 4.740 0.050 0.000 0.198 404 N C -0.013 175.510 175.510 0.023 0.000 1.156 404 N CA 0.028 53.103 53.050 0.041 0.000 0.839 404 N CB -0.389 38.138 38.487 0.066 0.000 0.989 404 N HN 0.673 nan 8.380 nan 0.000 0.468 405 D N 2.259 122.658 120.400 -0.001 0.000 2.662 405 D HA -0.089 4.581 4.640 0.050 0.000 0.233 405 D C -1.423 174.875 176.300 -0.004 0.000 1.129 405 D CA -0.736 53.282 54.000 0.030 0.000 0.851 405 D CB 1.286 42.059 40.800 -0.045 0.000 1.152 405 D HN 0.161 nan 8.370 nan 0.000 0.507 406 P HA -0.056 nan 4.420 nan 0.000 0.240 406 P C 1.485 178.798 177.300 0.022 0.000 1.190 406 P CA 0.007 63.121 63.100 0.023 0.000 0.781 406 P CB 0.447 32.151 31.700 0.005 0.000 0.931 407 L N -0.170 121.085 121.223 0.054 0.000 2.102 407 L HA 0.020 4.389 4.340 0.050 0.000 0.202 407 L C 2.349 179.129 176.870 -0.149 0.000 1.076 407 L CA 1.207 56.066 54.840 0.032 0.000 0.761 407 L CB -1.513 40.644 42.059 0.164 0.000 0.921 407 L HN -0.168 nan 8.230 nan 0.000 0.444 408 L N -0.471 120.510 121.223 -0.403 0.000 2.012 408 L HA -0.240 4.130 4.340 0.050 0.000 0.210 408 L C 2.468 179.082 176.870 -0.426 0.000 1.073 408 L CA 1.804 56.197 54.840 -0.745 0.000 0.748 408 L CB -0.971 40.436 42.059 -1.086 0.000 0.891 408 L HN 0.380 nan 8.230 nan 0.000 0.431 409 Q N -0.137 119.486 119.800 -0.295 0.000 2.096 409 Q HA -0.208 4.162 4.340 0.050 0.000 0.208 409 Q C 2.088 178.003 176.000 -0.141 0.000 0.993 409 Q CA 2.034 57.710 55.803 -0.212 0.000 0.862 409 Q CB -0.912 27.754 28.738 -0.120 0.000 0.915 409 Q HN 0.714 nan 8.270 nan 0.000 0.416 410 G N 0.284 109.032 108.800 -0.086 0.000 2.430 410 G HA2 -0.197 3.793 3.960 0.050 0.000 0.216 410 G HA3 -0.197 3.793 3.960 0.050 0.000 0.216 410 G C 1.483 176.397 174.900 0.024 0.000 1.146 410 G CA 0.242 45.338 45.100 -0.005 0.000 0.793 410 G HN 0.247 nan 8.290 nan 0.000 0.537 411 R N -0.025 120.436 120.500 -0.065 0.000 2.140 411 R HA -0.107 4.263 4.340 0.050 0.000 0.250 411 R C 2.508 178.885 176.300 0.128 0.000 1.150 411 R CA 1.355 57.474 56.100 0.031 0.000 0.966 411 R CB -0.600 29.655 30.300 -0.075 0.000 0.869 411 R HN 0.353 nan 8.270 nan 0.000 0.445 412 L N -0.548 120.641 121.223 -0.056 0.000 2.127 412 L HA -0.218 4.152 4.340 0.050 0.000 0.211 412 L C 2.324 179.324 176.870 0.217 0.000 1.089 412 L CA 1.172 55.998 54.840 -0.023 0.000 0.757 412 L CB -0.478 41.422 42.059 -0.264 0.000 0.899 412 L HN 0.174 nan 8.230 nan 0.000 0.434 413 F N 0.117 120.101 119.950 0.057 0.000 2.128 413 F HA -0.179 4.378 4.527 0.050 0.000 0.295 413 F C 2.811 178.648 175.800 0.062 0.000 1.100 413 F CA 1.585 59.611 58.000 0.043 0.000 1.260 413 F CB -0.288 38.716 39.000 0.007 0.000 1.009 413 F HN -0.065 nan 8.300 nan 0.000 0.476 414 S N -0.734 114.978 115.700 0.020 0.000 2.368 414 S HA -0.230 4.270 4.470 0.050 0.000 0.225 414 S C 2.038 176.511 174.600 -0.212 0.000 1.030 414 S CA 1.585 59.691 58.200 -0.155 0.000 0.999 414 S CB -0.772 62.353 63.200 -0.124 0.000 0.844 414 S HN 0.557 nan 8.310 nan 0.000 0.459 415 Y N 1.323 121.608 120.300 -0.024 0.000 2.439 415 Y HA -0.004 4.576 4.550 0.050 0.000 0.292 415 Y C 2.849 178.381 175.900 -0.614 0.000 1.130 415 Y CA 1.148 59.223 58.100 -0.042 0.000 1.254 415 Y CB -0.463 38.920 38.460 1.538 0.000 1.000 415 Y HN 0.279 nan 8.280 nan 0.000 0.554 416 T N -0.712 113.425 114.554 -0.694 0.000 2.770 416 T HA -0.174 4.206 4.350 0.050 0.000 0.258 416 T C 1.408 175.897 174.700 -0.352 0.000 1.039 416 T CA 1.480 63.310 62.100 -0.450 0.000 1.143 416 T CB -0.462 68.212 68.868 -0.324 0.000 0.866 416 T HN 0.304 nan 8.240 nan 0.000 0.428 417 D N 0.876 121.005 120.400 -0.452 0.000 2.126 417 D HA -0.166 4.504 4.640 0.050 0.000 0.190 417 D C 2.253 178.388 176.300 -0.275 0.000 1.001 417 D CA 1.904 55.655 54.000 -0.415 0.000 0.841 417 D CB -0.570 39.779 40.800 -0.750 0.000 0.949 417 D HN 0.263 nan 8.370 nan 0.000 0.446 418 T N -1.094 113.289 114.554 -0.286 0.000 2.803 418 T HA -0.165 4.215 4.350 0.050 0.000 0.269 418 T C 1.667 176.229 174.700 -0.231 0.000 1.052 418 T CA 1.414 63.384 62.100 -0.216 0.000 1.136 418 T CB -0.242 68.500 68.868 -0.211 0.000 0.864 418 T HN 0.171 nan 8.240 nan 0.000 0.467 419 Q N 0.574 120.159 119.800 -0.358 0.000 2.291 419 Q HA -0.001 4.369 4.340 0.050 0.000 0.206 419 Q C 2.265 178.126 176.000 -0.232 0.000 0.976 419 Q CA 0.692 56.219 55.803 -0.460 0.000 0.875 419 Q CB -0.440 27.590 28.738 -1.180 0.000 0.927 419 Q HN 0.518 nan 8.270 nan 0.000 0.450 420 I N 0.962 121.452 120.570 -0.133 0.000 2.286 420 I HA -0.208 3.992 4.170 0.050 0.000 0.248 420 I C 2.334 178.439 176.117 -0.019 0.000 1.115 420 I CA 1.713 63.000 61.300 -0.020 0.000 1.392 420 I CB -1.362 36.635 38.000 -0.004 0.000 1.065 420 I HN 0.201 nan 8.210 nan 0.000 0.418 421 S N 0.405 116.080 115.700 -0.042 0.000 2.387 421 S HA -0.073 4.427 4.470 0.050 0.000 0.221 421 S C 2.183 176.765 174.600 -0.030 0.000 1.041 421 S CA 0.190 58.376 58.200 -0.022 0.000 0.959 421 S CB -0.407 62.784 63.200 -0.015 0.000 0.843 421 S HN 0.280 nan 8.310 nan 0.000 0.488 422 R N 0.914 121.376 120.500 -0.063 0.000 2.083 422 R HA 0.100 4.470 4.340 0.050 0.000 0.237 422 R C 1.418 177.686 176.300 -0.053 0.000 1.137 422 R CA 1.617 57.681 56.100 -0.060 0.000 0.951 422 R CB -0.295 29.945 30.300 -0.100 0.000 0.851 422 R HN 0.457 nan 8.270 nan 0.000 0.434 423 L N -0.984 120.193 121.223 -0.076 0.000 2.769 423 L HA 0.305 4.675 4.340 0.050 0.000 0.240 423 L C 0.880 177.759 176.870 0.015 0.000 1.163 423 L CA 0.332 55.148 54.840 -0.040 0.000 0.962 423 L CB 1.140 43.158 42.059 -0.068 0.000 1.258 423 L HN 0.615 nan 8.230 nan 0.000 0.513 424 G N -0.150 108.660 108.800 0.016 0.000 2.176 424 G HA2 -0.131 3.859 3.960 0.050 0.000 0.253 424 G HA3 -0.131 3.859 3.960 0.050 0.000 0.253 424 G C 0.475 175.411 174.900 0.061 0.000 0.979 424 G CA -0.042 45.079 45.100 0.034 0.000 0.641 424 G HN 0.789 nan 8.290 nan 0.000 0.530 425 G N -1.375 107.481 108.800 0.093 0.000 2.350 425 G HA2 0.566 4.556 3.960 0.050 0.000 0.282 425 G HA3 0.566 4.556 3.960 0.050 0.000 0.282 425 G C -2.229 172.803 174.900 0.219 0.000 1.314 425 G CA 0.418 45.590 45.100 0.120 0.000 0.915 425 G HN 0.535 nan 8.290 nan 0.000 0.499 426 P HA 0.141 nan 4.420 nan 0.000 0.255 426 P C 0.228 177.549 177.300 0.036 0.000 1.248 426 P CA 0.322 63.523 63.100 0.169 0.000 0.807 426 P CB 0.209 31.966 31.700 0.096 0.000 1.150 427 N N 0.478 119.200 118.700 0.037 0.000 2.327 427 N HA 0.063 4.833 4.740 0.050 0.000 0.231 427 N C 1.049 176.426 175.510 -0.221 0.000 1.130 427 N CA -0.172 52.801 53.050 -0.129 0.000 0.845 427 N CB -0.619 37.824 38.487 -0.073 0.000 1.073 427 N HN 0.277 nan 8.380 nan 0.000 0.496 428 F N 0.720 120.640 119.950 -0.051 0.000 2.333 428 F HA -0.075 4.481 4.527 0.049 0.000 0.300 428 F C 2.240 177.966 175.800 -0.124 0.000 1.083 428 F CA 0.750 58.697 58.000 -0.088 0.000 1.395 428 F CB -0.721 38.247 39.000 -0.054 0.000 1.056 428 F HN 0.169 nan 8.300 nan 0.000 0.529 429 H N 0.527 119.244 119.070 -0.589 0.000 2.521 429 H HA 0.031 4.617 4.556 0.051 0.000 0.286 429 H C 0.908 176.087 175.328 -0.248 0.000 1.034 429 H CA 1.394 57.179 56.048 -0.437 0.000 1.278 429 H CB -0.775 28.588 29.762 -0.665 0.000 1.386 429 H HN 0.526 nan 8.280 nan 0.000 0.567 430 E N 0.967 120.731 120.200 -0.728 0.000 2.478 430 E HA 0.158 4.538 4.350 0.050 0.000 0.194 430 E C 0.405 176.900 176.600 -0.176 0.000 1.045 430 E CA -0.245 55.914 56.400 -0.401 0.000 0.868 430 E CB 0.450 29.934 29.700 -0.360 0.000 0.885 430 E HN 0.440 nan 8.360 nan 0.000 0.505 431 I N 2.510 122.994 120.570 -0.143 0.000 2.618 431 I HA -0.052 4.148 4.170 0.050 0.000 0.284 431 I C -1.538 174.523 176.117 -0.093 0.000 1.146 431 I CA -1.455 59.789 61.300 -0.093 0.000 1.425 431 I CB 0.656 38.612 38.000 -0.073 0.000 1.383 431 I HN -0.197 nan 8.210 nan 0.000 0.562 432 P HA -0.223 nan 4.420 nan 0.000 0.215 432 P C 1.728 178.958 177.300 -0.116 0.000 1.157 432 P CA 1.197 64.244 63.100 -0.089 0.000 0.874 432 P CB 0.176 31.830 31.700 -0.077 0.000 0.790 433 I N -0.580 119.892 120.570 -0.163 0.000 2.335 433 I HA -0.197 4.003 4.170 0.050 0.000 0.251 433 I C 1.306 177.355 176.117 -0.113 0.000 1.129 433 I CA 1.713 62.867 61.300 -0.242 0.000 1.402 433 I CB -0.657 37.087 38.000 -0.428 0.000 1.069 433 I HN -0.111 nan 8.210 nan 0.000 0.424 434 N N 0.698 119.342 118.700 -0.093 0.000 2.463 434 N HA 0.028 4.798 4.740 0.050 0.000 0.181 434 N C 0.294 175.808 175.510 0.007 0.000 1.078 434 N CA 0.212 53.232 53.050 -0.051 0.000 0.902 434 N CB -0.143 38.330 38.487 -0.024 0.000 0.970 434 N HN 0.381 nan 8.380 nan 0.000 0.451 435 R N 1.636 122.143 120.500 0.012 0.000 2.537 435 R HA 0.137 4.507 4.340 0.050 0.000 0.280 435 R C -2.222 174.148 176.300 0.115 0.000 1.058 435 R CA -1.161 54.953 56.100 0.023 0.000 1.057 435 R CB -0.077 30.222 30.300 -0.001 0.000 0.973 435 R HN 0.035 nan 8.270 nan 0.000 0.438 436 P HA -0.012 nan 4.420 nan 0.000 0.271 436 P C 0.578 177.956 177.300 0.130 0.000 1.218 436 P CA -0.057 63.122 63.100 0.132 0.000 0.780 436 P CB 0.755 32.487 31.700 0.052 0.000 0.901 437 T N -1.230 113.417 114.554 0.154 0.000 3.014 437 T HA 0.181 4.561 4.350 0.050 0.000 0.263 437 T C 0.977 175.729 174.700 0.087 0.000 1.078 437 T CA 0.200 62.347 62.100 0.080 0.000 1.135 437 T CB -0.428 68.476 68.868 0.059 0.000 0.895 437 T HN 0.471 nan 8.240 nan 0.000 0.480 438 A N 2.980 125.865 122.820 0.109 0.000 2.448 438 A HA 0.522 4.872 4.320 0.050 0.000 0.239 438 A C -2.161 175.484 177.584 0.101 0.000 1.080 438 A CA -1.236 50.861 52.037 0.100 0.000 0.779 438 A CB -0.493 18.567 19.000 0.100 0.000 1.026 438 A HN 0.298 nan 8.150 nan 0.000 0.499 439 P HA 0.326 nan 4.420 nan 0.000 0.269 439 P C -1.082 176.287 177.300 0.116 0.000 1.209 439 P CA 0.585 63.750 63.100 0.108 0.000 0.776 439 P CB 0.174 31.983 31.700 0.181 0.000 0.876 440 Y N 0.874 121.061 120.300 -0.187 0.000 2.421 440 Y HA 0.669 5.248 4.550 0.050 0.000 0.339 440 Y C -1.445 174.123 175.900 -0.555 0.000 0.996 440 Y CA -0.924 57.044 58.100 -0.220 0.000 1.046 440 Y CB 1.442 39.796 38.460 -0.177 0.000 1.226 440 Y HN 0.441 nan 8.280 nan 0.000 0.445 441 H N 3.857 122.802 119.070 -0.208 0.000 2.947 441 H HA 0.529 5.116 4.556 0.050 0.000 0.354 441 H C -1.170 174.035 175.328 -0.204 0.000 1.085 441 H CA -0.756 55.100 56.048 -0.321 0.000 1.253 441 H CB 1.625 31.239 29.762 -0.247 0.000 1.757 441 H HN 0.901 nan 8.280 nan 0.000 0.523 442 N N 0.465 119.047 118.700 -0.197 0.000 3.449 442 N HA 0.168 4.938 4.740 0.050 0.000 0.312 442 N C -1.222 174.040 175.510 -0.414 0.000 1.557 442 N CA -0.923 51.965 53.050 -0.269 0.000 0.864 442 N CB 0.594 39.087 38.487 0.010 0.000 1.799 442 N HN 0.300 nan 8.380 nan 0.000 0.554 443 F N -0.271 119.721 119.950 0.071 0.000 2.639 443 F HA 0.371 4.927 4.527 0.050 0.000 0.302 443 F C 0.414 176.257 175.800 0.071 0.000 1.097 443 F CA -0.357 57.679 58.000 0.061 0.000 1.294 443 F CB 0.212 39.242 39.000 0.051 0.000 1.027 443 F HN 0.134 nan 8.300 nan 0.000 0.550 444 Q N 1.473 121.382 119.800 0.182 0.000 2.340 444 Q HA 0.460 4.830 4.340 0.050 0.000 0.249 444 Q C 0.033 176.109 176.000 0.128 0.000 0.957 444 Q CA -0.172 55.716 55.803 0.143 0.000 0.882 444 Q CB 1.116 29.913 28.738 0.097 0.000 1.235 444 Q HN 0.093 nan 8.270 nan 0.000 0.439 445 R N 1.556 122.124 120.500 0.114 0.000 2.774 445 R HA 0.353 4.723 4.340 0.050 0.000 0.272 445 R C -0.732 175.616 176.300 0.080 0.000 1.000 445 R CA -0.623 55.536 56.100 0.098 0.000 0.906 445 R CB 1.325 31.685 30.300 0.100 0.000 1.227 445 R HN 0.731 nan 8.270 nan 0.000 0.468 446 D N -0.174 120.265 120.400 0.066 0.000 3.455 446 D HA -0.171 4.499 4.640 0.050 0.000 0.216 446 D C 0.395 176.727 176.300 0.054 0.000 1.510 446 D CA 1.928 55.959 54.000 0.051 0.000 1.128 446 D CB -1.094 39.735 40.800 0.048 0.000 0.680 446 D HN 0.912 nan 8.370 nan 0.000 0.828 447 G N -1.353 107.477 108.800 0.050 0.000 2.730 447 G HA2 0.187 4.177 3.960 0.050 0.000 0.686 447 G HA3 0.187 4.177 3.960 0.050 0.000 0.686 447 G C -0.279 174.653 174.900 0.053 0.000 1.343 447 G CA 0.070 45.203 45.100 0.054 0.000 0.826 447 G HN 0.831 nan 8.290 nan 0.000 0.582 448 M N 1.040 120.678 119.600 0.064 0.000 2.249 448 M HA 0.481 4.990 4.480 0.050 0.000 0.340 448 M C 1.102 177.478 176.300 0.125 0.000 1.166 448 M CA 1.302 56.648 55.300 0.077 0.000 1.115 448 M CB -0.566 32.081 32.600 0.078 0.000 1.606 448 M HN 1.685 nan 8.290 nan 0.000 0.448 449 H N 0.868 119.943 119.070 0.008 0.000 2.713 449 H HA -0.199 4.386 4.556 0.048 0.000 0.311 449 H C -0.610 174.711 175.328 -0.011 0.000 1.175 449 H CA 0.787 56.836 56.048 0.002 0.000 1.143 449 H CB -0.688 29.078 29.762 0.006 0.000 1.434 449 H HN 0.668 nan 8.280 nan 0.000 0.418 450 R N 1.164 121.669 120.500 0.010 0.000 2.446 450 R HA 0.003 4.373 4.340 0.050 0.000 0.314 450 R C 1.008 177.290 176.300 -0.030 0.000 1.003 450 R CA 0.333 56.435 56.100 0.004 0.000 1.018 450 R CB 0.215 30.519 30.300 0.008 0.000 0.945 450 R HN 0.407 nan 8.270 nan 0.000 0.419 451 M N 2.865 122.465 119.600 0.000 0.000 2.398 451 M HA 0.192 4.702 4.480 0.050 0.000 0.261 451 M C 1.050 177.343 176.300 -0.011 0.000 1.125 451 M CA 1.140 56.437 55.300 -0.005 0.000 1.183 451 M CB -0.929 31.681 32.600 0.017 0.000 1.322 451 M HN 0.700 nan 8.290 nan 0.000 0.467 452 G N 1.882 110.684 108.800 0.003 0.000 2.398 452 G HA2 0.393 4.383 3.960 0.050 0.000 0.246 452 G HA3 0.393 4.383 3.960 0.050 0.000 0.246 452 G C -0.371 174.523 174.900 -0.008 0.000 1.289 452 G CA -0.389 44.708 45.100 -0.004 0.000 0.869 452 G HN 0.326 nan 8.290 nan 0.000 0.543 453 I N 2.734 123.292 120.570 -0.020 0.000 2.337 453 I HA 0.107 4.307 4.170 0.050 0.000 0.285 453 I C -0.297 175.810 176.117 -0.017 0.000 1.041 453 I CA -0.547 60.745 61.300 -0.014 0.000 1.199 453 I CB 0.968 38.958 38.000 -0.016 0.000 1.370 453 I HN 0.362 nan 8.210 nan 0.000 0.470 454 D N 4.879 125.274 120.400 -0.008 0.000 2.348 454 D HA 0.060 4.730 4.640 0.050 0.000 0.253 454 D C 1.178 177.479 176.300 0.002 0.000 1.161 454 D CA 0.265 54.260 54.000 -0.010 0.000 0.876 454 D CB 1.803 42.606 40.800 0.004 0.000 1.160 454 D HN 0.565 nan 8.370 nan 0.000 0.459 455 T N -0.833 113.718 114.554 -0.005 0.000 3.069 455 T HA -0.053 4.326 4.350 0.050 0.000 0.252 455 T C 0.805 175.513 174.700 0.014 0.000 1.053 455 T CA -0.567 61.534 62.100 0.002 0.000 0.964 455 T CB 0.151 69.013 68.868 -0.010 0.000 1.005 455 T HN 0.114 nan 8.240 nan 0.000 0.532 456 N N 3.365 122.075 118.700 0.018 0.000 2.411 456 N HA 0.090 4.860 4.740 0.050 0.000 0.265 456 N C -1.648 173.904 175.510 0.069 0.000 1.266 456 N CA -1.487 51.587 53.050 0.042 0.000 0.889 456 N CB 1.439 39.954 38.487 0.046 0.000 1.069 456 N HN 0.066 nan 8.380 nan 0.000 0.476 457 P HA -0.043 nan 4.420 nan 0.000 0.221 457 P C -0.567 176.798 177.300 0.107 0.000 1.145 457 P CA 0.956 64.104 63.100 0.079 0.000 0.795 457 P CB 0.210 31.952 31.700 0.070 0.000 0.775 458 A N 0.654 123.532 122.820 0.096 0.000 2.317 458 A HA 0.407 4.757 4.320 0.050 0.000 0.327 458 A C 0.445 178.143 177.584 0.191 0.000 1.178 458 A CA -0.694 51.360 52.037 0.027 0.000 0.817 458 A CB 0.084 18.944 19.000 -0.234 0.000 1.189 458 A HN 0.260 nan 8.150 nan 0.000 0.489 459 N N 0.487 119.340 118.700 0.255 0.000 2.401 459 N HA 0.380 5.150 4.740 0.050 0.000 0.264 459 N C -0.914 174.764 175.510 0.280 0.000 1.238 459 N CA -0.357 52.918 53.050 0.375 0.000 0.889 459 N CB 0.260 38.916 38.487 0.282 0.000 1.196 459 N HN 0.685 nan 8.380 nan 0.000 0.511 460 Y N -1.340 118.814 120.300 -0.244 0.000 2.624 460 Y HA 0.629 5.209 4.550 0.049 0.000 0.334 460 Y C -1.502 173.789 175.900 -1.014 0.000 1.155 460 Y CA -1.378 56.410 58.100 -0.520 0.000 1.046 460 Y CB 0.960 39.285 38.460 -0.225 0.000 1.316 460 Y HN 0.090 nan 8.280 nan 0.000 0.457 461 E N 1.111 120.807 120.200 -0.839 0.000 2.367 461 E HA 0.693 5.073 4.350 0.050 0.000 0.273 461 E C -3.127 173.367 176.600 -0.177 0.000 0.903 461 E CA -2.079 53.956 56.400 -0.608 0.000 0.764 461 E CB 1.555 30.848 29.700 -0.677 0.000 1.252 461 E HN 0.562 nan 8.360 nan 0.000 0.446 462 P HA 0.275 nan 4.420 nan 0.000 0.275 462 P C -1.290 175.957 177.300 -0.089 0.000 1.228 462 P CA -0.419 62.609 63.100 -0.119 0.000 0.786 462 P CB 0.451 32.118 31.700 -0.055 0.000 0.927 463 N N -1.432 117.144 118.700 -0.207 0.000 2.262 463 N HA 0.343 5.113 4.740 0.050 0.000 0.295 463 N C 0.303 175.767 175.510 -0.077 0.000 1.161 463 N CA -0.769 52.180 53.050 -0.169 0.000 0.767 463 N CB 1.433 39.525 38.487 -0.659 0.000 1.499 463 N HN 0.190 nan 8.380 nan 0.000 0.476 464 S N 0.549 116.253 115.700 0.006 0.000 2.503 464 S HA -0.005 4.494 4.470 0.050 0.000 0.215 464 S C 1.488 176.102 174.600 0.024 0.000 1.003 464 S CA 0.014 58.219 58.200 0.007 0.000 0.910 464 S CB -0.774 62.442 63.200 0.026 0.000 0.790 464 S HN 0.715 nan 8.310 nan 0.000 0.514 465 I N -1.039 119.553 120.570 0.036 0.000 3.111 465 I HA 0.283 4.483 4.170 0.050 0.000 0.272 465 I C 1.108 177.258 176.117 0.055 0.000 1.268 465 I CA 0.942 62.275 61.300 0.056 0.000 1.467 465 I CB -0.350 37.702 38.000 0.087 0.000 1.087 465 I HN 0.161 nan 8.210 nan 0.000 0.467 466 N N 1.362 120.091 118.700 0.049 0.000 2.433 466 N HA 0.050 4.820 4.740 0.050 0.000 0.270 466 N C -0.092 175.526 175.510 0.179 0.000 1.354 466 N CA -0.092 53.029 53.050 0.118 0.000 0.889 466 N CB -0.023 38.546 38.487 0.136 0.000 1.285 466 N HN 0.172 nan 8.380 nan 0.000 0.503 467 D N 0.849 121.303 120.400 0.091 0.000 2.737 467 D HA -0.268 4.402 4.640 0.050 0.000 0.233 467 D C -0.021 176.172 176.300 -0.177 0.000 1.155 467 D CA 1.206 55.224 54.000 0.029 0.000 0.667 467 D CB -1.260 39.639 40.800 0.166 0.000 1.060 467 D HN 0.538 nan 8.370 nan 0.000 0.427 468 N N -1.749 116.878 118.700 -0.120 0.000 2.800 468 N HA -0.246 4.524 4.740 0.050 0.000 0.250 468 N C -0.804 174.623 175.510 -0.140 0.000 1.078 468 N CA 1.404 54.351 53.050 -0.172 0.000 0.804 468 N CB -1.325 37.015 38.487 -0.245 0.000 1.135 468 N HN 0.525 nan 8.380 nan 0.000 0.565 469 W N 1.081 122.432 121.300 0.084 0.000 2.313 469 W HA 0.439 5.129 4.660 0.050 0.000 0.328 469 W C -1.609 174.955 176.519 0.076 0.000 1.197 469 W CA -1.610 55.769 57.345 0.056 0.000 1.235 469 W CB 0.447 29.889 29.460 -0.029 0.000 1.158 469 W HN -0.026 nan 8.180 nan 0.000 0.578 470 P HA 0.168 nan 4.420 nan 0.000 0.275 470 P C -0.691 176.744 177.300 0.226 0.000 1.228 470 P CA -0.066 63.171 63.100 0.229 0.000 0.786 470 P CB 0.989 32.672 31.700 -0.028 0.000 0.927 471 R N 1.252 121.867 120.500 0.192 0.000 2.604 471 R HA 0.302 4.672 4.340 0.050 0.000 0.287 471 R C 0.362 176.693 176.300 0.051 0.000 0.970 471 R CA -0.820 55.261 56.100 -0.032 0.000 0.946 471 R CB 1.175 31.231 30.300 -0.407 0.000 1.127 471 R HN 0.499 nan 8.270 nan 0.000 0.473 472 E N 0.698 120.919 120.200 0.035 0.000 2.459 472 E HA -0.012 4.368 4.350 0.050 0.000 0.264 472 E C -0.530 176.093 176.600 0.038 0.000 1.055 472 E CA 0.795 57.226 56.400 0.052 0.000 0.957 472 E CB 0.575 30.296 29.700 0.034 0.000 0.952 472 E HN 0.346 nan 8.360 nan 0.000 0.448 473 T N 3.621 118.209 114.554 0.057 0.000 2.840 473 T HA 0.323 4.703 4.350 0.050 0.000 0.287 473 T C -2.423 172.302 174.700 0.042 0.000 0.991 473 T CA -1.519 60.612 62.100 0.053 0.000 0.964 473 T CB 1.473 70.385 68.868 0.073 0.000 0.954 473 T HN 0.238 nan 8.240 nan 0.000 0.438 474 P HA 0.187 nan 4.420 nan 0.000 0.268 474 P C -2.393 174.914 177.300 0.011 0.000 1.208 474 P CA -1.050 62.058 63.100 0.014 0.000 0.777 474 P CB -0.285 31.419 31.700 0.006 0.000 0.875 475 P HA 0.256 nan 4.420 nan 0.000 0.269 475 P C 0.013 177.302 177.300 -0.019 0.000 1.215 475 P CA 0.376 63.461 63.100 -0.024 0.000 0.780 475 P CB 0.676 32.339 31.700 -0.061 0.000 0.898 476 G N 0.698 109.485 108.800 -0.021 0.000 2.490 476 G HA2 0.398 4.388 3.960 0.050 0.000 0.308 476 G HA3 0.398 4.388 3.960 0.050 0.000 0.308 476 G C -2.600 172.289 174.900 -0.019 0.000 1.286 476 G CA -0.674 44.416 45.100 -0.016 0.000 0.825 476 G HN 0.111 nan 8.290 nan 0.000 0.479 477 P HA 0.161 nan 4.420 nan 0.000 0.220 477 P C 0.054 177.349 177.300 -0.009 0.000 1.152 477 P CA 1.038 64.129 63.100 -0.016 0.000 0.812 477 P CB 0.211 31.903 31.700 -0.012 0.000 0.792 478 K N -1.037 119.364 120.400 0.003 0.000 2.498 478 K HA 0.409 4.759 4.320 0.050 0.000 0.254 478 K C -0.192 176.424 176.600 0.026 0.000 0.933 478 K CA -0.923 55.372 56.287 0.015 0.000 0.806 478 K CB 2.137 34.648 32.500 0.017 0.000 1.301 478 K HN -0.355 nan 8.250 nan 0.000 0.432 479 R N -0.465 120.058 120.500 0.038 0.000 3.770 479 R HA -0.136 4.234 4.340 0.050 0.000 0.305 479 R C 0.005 176.336 176.300 0.051 0.000 1.184 479 R CA 0.985 57.115 56.100 0.050 0.000 0.823 479 R CB -2.157 28.172 30.300 0.048 0.000 1.285 479 R HN 1.020 nan 8.270 nan 0.000 0.499 480 G N -0.692 108.133 108.800 0.042 0.000 2.477 480 G HA2 0.594 4.584 3.960 0.050 0.000 0.304 480 G HA3 0.594 4.584 3.960 0.050 0.000 0.304 480 G C 0.409 175.345 174.900 0.059 0.000 1.175 480 G CA 0.112 45.235 45.100 0.038 0.000 0.907 480 G HN 0.242 nan 8.290 nan 0.000 0.509 481 G N -1.137 107.700 108.800 0.061 0.000 2.594 481 G HA2 0.386 4.376 3.960 0.050 0.000 0.243 481 G HA3 0.386 4.376 3.960 0.050 0.000 0.243 481 G C -0.576 174.384 174.900 0.101 0.000 1.229 481 G CA -0.510 44.649 45.100 0.098 0.000 0.843 481 G HN 0.471 nan 8.290 nan 0.000 0.578 482 F N 0.515 120.482 119.950 0.028 0.000 2.456 482 F HA 0.387 4.944 4.527 0.051 0.000 0.358 482 F C 0.539 176.355 175.800 0.026 0.000 1.095 482 F CA -0.242 57.770 58.000 0.020 0.000 1.216 482 F CB 0.895 39.910 39.000 0.025 0.000 1.125 482 F HN 0.450 nan 8.300 nan 0.000 0.549 483 E N 4.351 124.184 120.200 -0.612 0.000 2.246 483 E HA 0.302 4.682 4.350 0.050 0.000 0.266 483 E C -1.081 175.185 176.600 -0.557 0.000 0.880 483 E CA -0.772 55.430 56.400 -0.330 0.000 0.762 483 E CB 1.493 31.084 29.700 -0.182 0.000 1.180 483 E HN 0.641 nan 8.360 nan 0.000 0.416 484 S N 2.538 118.135 115.700 -0.172 0.000 2.568 484 S HA -0.030 4.470 4.470 0.050 0.000 0.282 484 S C -0.495 174.087 174.600 -0.030 0.000 1.338 484 S CA -0.279 57.903 58.200 -0.030 0.000 1.045 484 S CB 0.120 63.439 63.200 0.198 0.000 0.873 484 S HN 0.477 nan 8.310 nan 0.000 0.516 485 Y N 2.228 122.461 120.300 -0.112 0.000 2.526 485 Y HA 0.038 4.618 4.550 0.050 0.000 0.330 485 Y C 0.829 176.708 175.900 -0.036 0.000 1.156 485 Y CA -0.054 57.991 58.100 -0.092 0.000 1.419 485 Y CB 0.188 38.590 38.460 -0.095 0.000 1.250 485 Y HN 0.585 nan 8.280 nan 0.000 0.540 486 Q N 5.135 124.571 119.800 -0.607 0.000 3.254 486 Q HA 0.010 4.380 4.340 0.050 0.000 0.315 486 Q C -0.212 175.461 176.000 -0.544 0.000 1.405 486 Q CA -0.028 55.516 55.803 -0.431 0.000 0.966 486 Q CB -0.234 28.328 28.738 -0.294 0.000 1.706 486 Q HN 0.662 nan 8.270 nan 0.000 0.525 487 E N 1.495 121.425 120.200 -0.449 0.000 2.442 487 E HA -0.049 4.331 4.350 0.050 0.000 0.262 487 E C -0.081 176.468 176.600 -0.085 0.000 1.004 487 E CA -0.322 55.964 56.400 -0.190 0.000 0.928 487 E CB 0.611 30.350 29.700 0.065 0.000 0.937 487 E HN 0.166 nan 8.360 nan 0.000 0.446 488 R N 2.971 123.450 120.500 -0.035 0.000 2.389 488 R HA 0.236 4.606 4.340 0.050 0.000 0.295 488 R C -1.579 174.738 176.300 0.030 0.000 1.075 488 R CA -0.283 55.813 56.100 -0.007 0.000 1.005 488 R CB 0.923 31.230 30.300 0.011 0.000 0.987 488 R HN 0.262 nan 8.270 nan 0.000 0.452 489 V N 4.717 124.643 119.914 0.020 0.000 2.448 489 V HA 0.460 4.609 4.120 0.050 0.000 0.295 489 V C -0.555 175.551 176.094 0.020 0.000 1.025 489 V CA -0.615 61.702 62.300 0.028 0.000 0.859 489 V CB 1.398 33.234 31.823 0.023 0.000 0.988 489 V HN 0.901 nan 8.190 nan 0.000 0.431 490 E N 2.961 123.176 120.200 0.024 0.000 2.307 490 E HA 0.668 5.048 4.350 0.050 0.000 0.280 490 E C -0.459 176.147 176.600 0.010 0.000 0.900 490 E CA -0.132 56.276 56.400 0.014 0.000 0.790 490 E CB 2.077 31.786 29.700 0.014 0.000 1.261 490 E HN 0.999 nan 8.360 nan 0.000 0.405 491 G N 2.703 111.504 108.800 0.002 0.000 2.320 491 G HA2 0.068 4.058 3.960 0.050 0.000 0.297 491 G HA3 0.068 4.058 3.960 0.050 0.000 0.297 491 G C -1.450 173.445 174.900 -0.009 0.000 1.344 491 G CA -0.987 44.110 45.100 -0.004 0.000 0.851 491 G HN 0.432 nan 8.290 nan 0.000 0.567 492 N N 0.210 118.902 118.700 -0.014 0.000 2.463 492 N HA 0.325 5.094 4.740 0.050 0.000 0.270 492 N C -0.091 175.407 175.510 -0.021 0.000 1.205 492 N CA -0.218 52.822 53.050 -0.016 0.000 0.974 492 N CB 0.844 39.321 38.487 -0.018 0.000 1.197 492 N HN 0.487 nan 8.380 nan 0.000 0.504 493 K N 0.871 121.258 120.400 -0.021 0.000 2.351 493 K HA 0.172 4.522 4.320 0.050 0.000 0.287 493 K C -0.314 176.266 176.600 -0.034 0.000 1.068 493 K CA -0.149 56.121 56.287 -0.027 0.000 0.998 493 K CB -0.165 32.320 32.500 -0.025 0.000 0.968 493 K HN 0.341 nan 8.250 nan 0.000 0.464 494 V N 0.229 120.118 119.914 -0.042 0.000 2.876 494 V HA 0.481 4.631 4.120 0.050 0.000 0.312 494 V C -0.466 175.589 176.094 -0.066 0.000 1.085 494 V CA -1.362 60.908 62.300 -0.050 0.000 0.945 494 V CB 2.016 33.811 31.823 -0.047 0.000 1.017 494 V HN 0.611 nan 8.190 nan 0.000 0.428 495 R N 2.340 122.796 120.500 -0.073 0.000 2.522 495 R HA 0.591 4.961 4.340 0.050 0.000 0.290 495 R C -0.480 175.771 176.300 -0.082 0.000 1.216 495 R CA -0.127 55.917 56.100 -0.093 0.000 1.250 495 R CB 0.746 30.977 30.300 -0.116 0.000 1.143 495 R HN 0.937 nan 8.270 nan 0.000 0.553 496 E N 1.938 122.086 120.200 -0.087 0.000 2.321 496 E HA 0.244 4.624 4.350 0.050 0.000 0.278 496 E C -1.254 175.276 176.600 -0.116 0.000 0.902 496 E CA -1.025 55.327 56.400 -0.081 0.000 0.758 496 E CB 1.651 31.310 29.700 -0.068 0.000 1.213 496 E HN 0.126 nan 8.360 nan 0.000 0.426 497 R N 1.622 122.057 120.500 -0.108 0.000 2.390 497 R HA 0.232 4.602 4.340 0.050 0.000 0.291 497 R C -0.541 175.642 176.300 -0.195 0.000 1.070 497 R CA 0.058 56.053 56.100 -0.176 0.000 1.014 497 R CB 1.249 31.503 30.300 -0.077 0.000 1.007 497 R HN 0.387 nan 8.270 nan 0.000 0.466 498 S N 4.714 120.190 115.700 -0.373 0.000 2.533 498 S HA 0.124 4.624 4.470 0.050 0.000 0.282 498 S C -1.548 173.034 174.600 -0.030 0.000 1.304 498 S CA -1.278 56.797 58.200 -0.208 0.000 1.063 498 S CB 0.685 63.720 63.200 -0.275 0.000 0.881 498 S HN 0.532 nan 8.310 nan 0.000 0.493 499 P HA -0.122 nan 4.420 nan 0.000 0.217 499 P C 1.591 178.949 177.300 0.096 0.000 1.148 499 P CA 1.291 64.418 63.100 0.045 0.000 0.828 499 P CB -0.151 31.563 31.700 0.024 0.000 0.783 500 S N -1.912 113.884 115.700 0.160 0.000 2.465 500 S HA -0.145 4.355 4.470 0.050 0.000 0.241 500 S C 1.476 176.246 174.600 0.284 0.000 1.000 500 S CA 0.989 59.319 58.200 0.216 0.000 0.964 500 S CB -1.412 61.947 63.200 0.265 0.000 0.763 500 S HN -0.018 nan 8.310 nan 0.000 0.512 501 F N 2.003 121.950 119.950 -0.006 0.000 2.765 501 F HA 0.407 4.964 4.527 0.050 0.000 0.302 501 F C 1.938 177.683 175.800 -0.091 0.000 1.111 501 F CA -0.712 57.283 58.000 -0.008 0.000 1.359 501 F CB -0.434 38.592 39.000 0.044 0.000 1.097 501 F HN 0.348 nan 8.300 nan 0.000 0.577 502 G N 0.554 109.362 108.800 0.013 0.000 3.581 502 G HA2 0.099 4.089 3.960 0.050 0.000 0.255 502 G HA3 0.099 4.089 3.960 0.050 0.000 0.255 502 G C -0.072 174.426 174.900 -0.670 0.000 1.121 502 G CA 0.103 45.026 45.100 -0.295 0.000 1.739 502 G HN 0.038 nan 8.290 nan 0.000 0.646 503 E N 0.173 119.924 120.200 -0.749 0.000 2.263 503 E HA 0.336 4.716 4.350 0.050 0.000 0.268 503 E C -0.850 175.358 176.600 -0.654 0.000 0.884 503 E CA -0.761 55.263 56.400 -0.627 0.000 0.766 503 E CB 1.573 31.138 29.700 -0.225 0.000 1.196 503 E HN 0.209 nan 8.360 nan 0.000 0.416 504 Y N 2.565 122.675 120.300 -0.317 0.000 2.432 504 Y HA 0.198 4.779 4.550 0.050 0.000 0.252 504 Y C 0.705 176.325 175.900 -0.466 0.000 1.097 504 Y CA -0.094 57.701 58.100 -0.508 0.000 1.250 504 Y CB 0.427 38.412 38.460 -0.793 0.000 1.245 504 Y HN 0.436 nan 8.280 nan 0.000 0.522 505 Y N -1.444 118.939 120.300 0.138 0.000 2.467 505 Y HA 0.096 4.676 4.550 0.050 0.000 0.259 505 Y C 2.363 178.322 175.900 0.099 0.000 1.084 505 Y CA 0.212 58.388 58.100 0.126 0.000 1.275 505 Y CB -0.236 38.303 38.460 0.132 0.000 1.208 505 Y HN 0.041 nan 8.280 nan 0.000 0.511 506 S N -0.943 114.889 115.700 0.220 0.000 2.406 506 S HA -0.155 4.344 4.470 0.050 0.000 0.228 506 S C 1.396 176.070 174.600 0.125 0.000 1.020 506 S CA 1.395 59.705 58.200 0.183 0.000 0.965 506 S CB -0.494 62.818 63.200 0.187 0.000 0.798 506 S HN 0.400 nan 8.310 nan 0.000 0.488 507 H N 2.859 121.843 119.070 -0.144 0.000 2.333 507 H HA 0.191 4.777 4.556 0.050 0.000 0.302 507 H C -0.671 174.463 175.328 -0.323 0.000 1.075 507 H CA 1.216 57.035 56.048 -0.382 0.000 1.348 507 H CB -1.763 27.535 29.762 -0.773 0.000 1.393 507 H HN 0.365 nan 8.280 nan 0.000 0.509 508 P HA -0.196 nan 4.420 nan 0.000 0.216 508 P C 1.473 178.955 177.300 0.303 0.000 1.154 508 P CA 1.796 65.046 63.100 0.249 0.000 0.865 508 P CB 0.072 31.941 31.700 0.281 0.000 0.789 509 R N -0.403 120.224 120.500 0.213 0.000 2.075 509 R HA -0.121 4.249 4.340 0.050 0.000 0.232 509 R C 2.174 178.600 176.300 0.211 0.000 1.126 509 R CA 1.170 57.399 56.100 0.215 0.000 0.963 509 R CB -1.046 29.346 30.300 0.152 0.000 0.858 509 R HN 0.084 nan 8.270 nan 0.000 0.435 510 L N 0.364 121.654 121.223 0.111 0.000 2.046 510 L HA -0.093 4.277 4.340 0.050 0.000 0.208 510 L C 2.006 178.925 176.870 0.081 0.000 1.077 510 L CA 1.685 56.551 54.840 0.044 0.000 0.747 510 L CB -0.718 41.292 42.059 -0.082 0.000 0.896 510 L HN 0.233 nan 8.230 nan 0.000 0.432 511 F N -0.400 119.574 119.950 0.040 0.000 2.065 511 F HA -0.315 4.242 4.527 0.050 0.000 0.298 511 F C 2.356 178.165 175.800 0.016 0.000 1.112 511 F CA 2.456 60.466 58.000 0.018 0.000 1.212 511 F CB -0.693 38.361 39.000 0.091 0.000 0.975 511 F HN 0.410 nan 8.300 nan 0.000 0.476 512 W N 1.292 122.556 121.300 -0.060 0.000 2.335 512 W HA -0.245 4.444 4.660 0.050 0.000 0.311 512 W C 1.781 178.177 176.519 -0.206 0.000 1.213 512 W CA 1.767 59.037 57.345 -0.125 0.000 1.274 512 W CB -0.698 28.786 29.460 0.040 0.000 1.148 512 W HN 0.106 nan 8.180 nan 0.000 0.498 513 L N 1.090 122.249 121.223 -0.108 0.000 2.291 513 L HA -0.151 4.219 4.340 0.050 0.000 0.214 513 L C 2.321 179.005 176.870 -0.311 0.000 1.120 513 L CA 1.086 55.790 54.840 -0.227 0.000 0.799 513 L CB -0.663 41.384 42.059 -0.020 0.000 0.925 513 L HN -0.143 nan 8.230 nan 0.000 0.446 514 S N -1.382 114.115 115.700 -0.339 0.000 2.593 514 S HA 0.051 4.551 4.470 0.050 0.000 0.217 514 S C 0.705 175.024 174.600 -0.469 0.000 0.966 514 S CA 0.095 58.089 58.200 -0.343 0.000 0.914 514 S CB 0.014 63.046 63.200 -0.280 0.000 0.776 514 S HN 0.289 nan 8.310 nan 0.000 0.523 515 Q N 2.103 121.528 119.800 -0.626 0.000 2.227 515 Q HA 0.306 4.676 4.340 0.050 0.000 0.245 515 Q C 0.618 176.239 176.000 -0.632 0.000 0.926 515 Q CA -0.146 55.251 55.803 -0.676 0.000 0.895 515 Q CB 0.549 28.821 28.738 -0.776 0.000 1.230 515 Q HN 0.420 nan 8.270 nan 0.000 0.450 516 T N -1.929 112.209 114.554 -0.693 0.000 2.748 516 T HA 0.147 4.527 4.350 0.050 0.000 0.304 516 T C -1.749 172.504 174.700 -0.744 0.000 1.041 516 T CA -1.226 60.421 62.100 -0.755 0.000 1.033 516 T CB 0.263 68.407 68.868 -1.206 0.000 0.995 516 T HN 0.235 nan 8.240 nan 0.000 0.536 517 P HA 0.013 nan 4.420 nan 0.000 0.218 517 P C 1.353 178.462 177.300 -0.318 0.000 1.149 517 P CA 0.875 63.763 63.100 -0.352 0.000 0.817 517 P CB -0.252 31.356 31.700 -0.154 0.000 0.785 518 F N -0.189 119.567 119.950 -0.323 0.000 2.259 518 F HA 0.075 4.632 4.527 0.050 0.000 0.298 518 F C 1.800 177.247 175.800 -0.589 0.000 1.088 518 F CA 0.781 58.521 58.000 -0.434 0.000 1.358 518 F CB -1.567 37.157 39.000 -0.460 0.000 1.040 518 F HN -0.111 nan 8.300 nan 0.000 0.505 519 E N 0.584 120.237 120.200 -0.912 0.000 2.106 519 E HA -0.193 4.187 4.350 0.050 0.000 0.192 519 E C 2.201 178.612 176.600 -0.315 0.000 0.984 519 E CA 1.274 57.353 56.400 -0.535 0.000 0.806 519 E CB -0.274 29.068 29.700 -0.596 0.000 0.750 519 E HN 0.610 nan 8.360 nan 0.000 0.458 520 Q N 0.338 119.866 119.800 -0.453 0.000 2.096 520 Q HA -0.219 4.151 4.340 0.050 0.000 0.204 520 Q C 2.241 178.262 176.000 0.036 0.000 0.982 520 Q CA 1.365 56.930 55.803 -0.396 0.000 0.850 520 Q CB -0.135 28.090 28.738 -0.855 0.000 0.901 520 Q HN -0.002 nan 8.270 nan 0.000 0.422 521 R N 0.414 120.910 120.500 -0.008 0.000 2.073 521 R HA -0.155 4.215 4.340 0.050 0.000 0.234 521 R C 1.624 178.104 176.300 0.299 0.000 1.134 521 R CA 1.961 58.150 56.100 0.149 0.000 0.952 521 R CB -0.532 29.830 30.300 0.103 0.000 0.850 521 R HN 0.478 nan 8.270 nan 0.000 0.433 522 H N -0.740 118.419 119.070 0.149 0.000 2.423 522 H HA -0.015 4.571 4.556 0.050 0.000 0.297 522 H C 2.029 177.469 175.328 0.187 0.000 1.075 522 H CA 1.170 57.320 56.048 0.170 0.000 1.342 522 H CB 0.002 29.867 29.762 0.172 0.000 1.395 522 H HN 0.186 nan 8.280 nan 0.000 0.530 523 I N 0.215 121.001 120.570 0.361 0.000 2.179 523 I HA -0.268 3.932 4.170 0.050 0.000 0.242 523 I C 2.337 178.745 176.117 0.486 0.000 1.088 523 I CA 0.839 62.391 61.300 0.420 0.000 1.357 523 I CB -0.222 38.127 38.000 0.581 0.000 1.051 523 I HN 0.076 nan 8.210 nan 0.000 0.409 524 V N 0.957 121.150 119.914 0.464 0.000 2.252 524 V HA -0.340 3.810 4.120 0.050 0.000 0.249 524 V C 2.066 178.337 176.094 0.296 0.000 1.056 524 V CA 2.218 64.737 62.300 0.365 0.000 1.022 524 V CB -0.692 31.306 31.823 0.293 0.000 0.641 524 V HN 0.430 nan 8.190 nan 0.000 0.445 525 D N 0.249 120.803 120.400 0.256 0.000 2.178 525 D HA -0.085 4.585 4.640 0.050 0.000 0.202 525 D C 2.138 178.514 176.300 0.128 0.000 0.974 525 D CA 1.477 55.593 54.000 0.195 0.000 0.841 525 D CB -0.498 40.416 40.800 0.191 0.000 0.953 525 D HN 0.497 nan 8.370 nan 0.000 0.478 526 G N 0.171 109.026 108.800 0.092 0.000 2.414 526 G HA2 -0.234 3.756 3.960 0.050 0.000 0.215 526 G HA3 -0.234 3.756 3.960 0.050 0.000 0.215 526 G C 1.447 176.342 174.900 -0.008 0.000 1.188 526 G CA 0.124 45.177 45.100 -0.078 0.000 0.783 526 G HN 0.157 nan 8.290 nan 0.000 0.537 527 F N 1.841 121.823 119.950 0.054 0.000 2.120 527 F HA -0.111 4.446 4.527 0.050 0.000 0.300 527 F C 3.175 178.888 175.800 -0.145 0.000 1.095 527 F CA 1.671 59.633 58.000 -0.064 0.000 1.249 527 F CB -0.370 38.603 39.000 -0.045 0.000 0.995 527 F HN 0.086 nan 8.300 nan 0.000 0.480 528 S N -0.258 115.543 115.700 0.169 0.000 2.355 528 S HA -0.201 4.299 4.470 0.050 0.000 0.222 528 S C 1.868 176.499 174.600 0.050 0.000 1.031 528 S CA 1.267 59.512 58.200 0.076 0.000 0.993 528 S CB -0.749 62.519 63.200 0.113 0.000 0.859 528 S HN 0.398 nan 8.310 nan 0.000 0.453 529 F N 2.641 122.556 119.950 -0.059 0.000 2.102 529 F HA -0.094 4.462 4.527 0.049 0.000 0.298 529 F C 2.332 178.072 175.800 -0.100 0.000 1.105 529 F CA 1.476 59.434 58.000 -0.070 0.000 1.239 529 F CB -0.331 38.589 39.000 -0.134 0.000 0.991 529 F HN 0.123 nan 8.300 nan 0.000 0.474 530 E N 0.623 120.839 120.200 0.027 0.000 2.085 530 E HA -0.229 4.151 4.350 0.050 0.000 0.194 530 E C 2.326 178.737 176.600 -0.316 0.000 0.994 530 E CA 1.755 58.117 56.400 -0.064 0.000 0.801 530 E CB -0.562 29.225 29.700 0.145 0.000 0.743 530 E HN 0.485 nan 8.360 nan 0.000 0.453 531 L N 0.809 121.767 121.223 -0.442 0.000 2.291 531 L HA -0.083 4.286 4.340 0.050 0.000 0.214 531 L C 2.376 179.089 176.870 -0.261 0.000 1.120 531 L CA 0.486 55.050 54.840 -0.460 0.000 0.799 531 L CB -0.111 41.697 42.059 -0.418 0.000 0.925 531 L HN -0.018 nan 8.230 nan 0.000 0.446 532 S N -0.504 115.053 115.700 -0.238 0.000 2.453 532 S HA -0.048 4.452 4.470 0.050 0.000 0.231 532 S C 1.675 176.162 174.600 -0.189 0.000 1.005 532 S CA 0.789 58.875 58.200 -0.190 0.000 0.949 532 S CB -0.005 63.079 63.200 -0.194 0.000 0.774 532 S HN 0.292 nan 8.310 nan 0.000 0.510 533 K N 1.300 121.563 120.400 -0.228 0.000 2.444 533 K HA 0.211 4.561 4.320 0.050 0.000 0.193 533 K C 0.064 176.660 176.600 -0.008 0.000 1.024 533 K CA 0.094 56.307 56.287 -0.123 0.000 1.077 533 K CB -0.145 32.274 32.500 -0.134 0.000 0.833 533 K HN 0.205 nan 8.250 nan 0.000 0.517 534 V N 2.118 122.009 119.914 -0.039 0.000 2.455 534 V HA 0.007 4.157 4.120 0.050 0.000 0.273 534 V C 1.711 177.791 176.094 -0.024 0.000 1.045 534 V CA -0.091 62.212 62.300 0.004 0.000 0.976 534 V CB 1.393 33.190 31.823 -0.044 0.000 0.993 534 V HN -0.134 nan 8.190 nan 0.000 0.475 535 V N 4.944 124.864 119.914 0.009 0.000 2.591 535 V HA 0.009 4.159 4.120 0.050 0.000 0.249 535 V C 1.290 177.367 176.094 -0.028 0.000 1.053 535 V CA 1.114 63.416 62.300 0.003 0.000 1.068 535 V CB -0.413 31.430 31.823 0.034 0.000 0.689 535 V HN 0.750 nan 8.190 nan 0.000 0.462 536 R N 0.737 121.190 120.500 -0.078 0.000 2.210 536 R HA 0.202 4.572 4.340 0.050 0.000 0.338 536 R C -1.776 174.398 176.300 -0.210 0.000 1.062 536 R CA -1.442 54.580 56.100 -0.131 0.000 0.902 536 R CB 0.831 30.977 30.300 -0.258 0.000 1.050 536 R HN 0.209 nan 8.270 nan 0.000 0.461 537 P HA -0.203 nan 4.420 nan 0.000 0.218 537 P C 0.681 177.945 177.300 -0.060 0.000 1.148 537 P CA 1.100 64.169 63.100 -0.053 0.000 0.822 537 P CB 0.033 31.742 31.700 0.016 0.000 0.784 538 Y N -1.365 118.937 120.300 0.004 0.000 2.315 538 Y HA -0.120 4.460 4.550 0.050 0.000 0.288 538 Y C 1.827 177.735 175.900 0.014 0.000 1.154 538 Y CA 0.801 58.904 58.100 0.005 0.000 1.229 538 Y CB -1.763 36.700 38.460 0.005 0.000 0.980 538 Y HN -0.067 nan 8.280 nan 0.000 0.540 539 I N 0.714 120.922 120.570 -0.603 0.000 2.286 539 I HA -0.196 4.004 4.170 0.050 0.000 0.245 539 I C 2.484 178.523 176.117 -0.129 0.000 1.104 539 I CA 1.119 62.199 61.300 -0.368 0.000 1.397 539 I CB -0.363 37.398 38.000 -0.398 0.000 1.072 539 I HN 0.166 nan 8.210 nan 0.000 0.417 540 R N 0.924 121.337 120.500 -0.145 0.000 2.081 540 R HA -0.180 4.189 4.340 0.050 0.000 0.235 540 R C 2.096 178.354 176.300 -0.070 0.000 1.131 540 R CA 1.482 57.510 56.100 -0.120 0.000 0.960 540 R CB -0.393 29.832 30.300 -0.124 0.000 0.856 540 R HN 0.462 nan 8.270 nan 0.000 0.436 541 E N 0.438 120.619 120.200 -0.031 0.000 2.077 541 E HA -0.152 4.228 4.350 0.050 0.000 0.193 541 E C 2.112 178.725 176.600 0.021 0.000 0.989 541 E CA 0.936 57.337 56.400 0.002 0.000 0.800 541 E CB -0.030 29.693 29.700 0.038 0.000 0.746 541 E HN 0.282 nan 8.360 nan 0.000 0.452 542 R N 0.333 120.861 120.500 0.047 0.000 2.115 542 R HA -0.075 4.295 4.340 0.050 0.000 0.230 542 R C 2.326 178.659 176.300 0.054 0.000 1.111 542 R CA 0.833 56.973 56.100 0.065 0.000 0.976 542 R CB -0.094 30.267 30.300 0.101 0.000 0.870 542 R HN 0.057 nan 8.270 nan 0.000 0.445 543 V N 0.155 120.095 119.914 0.043 0.000 2.407 543 V HA -0.162 3.988 4.120 0.050 0.000 0.245 543 V C 2.258 178.342 176.094 -0.018 0.000 1.041 543 V CA 1.257 63.595 62.300 0.063 0.000 1.040 543 V CB -0.122 31.761 31.823 0.101 0.000 0.671 543 V HN 0.091 nan 8.190 nan 0.000 0.455 544 V N 0.642 120.519 119.914 -0.063 0.000 2.332 544 V HA -0.338 3.812 4.120 0.050 0.000 0.248 544 V C 2.318 178.378 176.094 -0.057 0.000 1.055 544 V CA 2.537 64.778 62.300 -0.100 0.000 1.038 544 V CB -0.724 31.045 31.823 -0.090 0.000 0.651 544 V HN 0.661 nan 8.190 nan 0.000 0.450 545 D N -0.715 119.684 120.400 -0.002 0.000 2.133 545 D HA -0.220 4.450 4.640 0.050 0.000 0.195 545 D C 2.262 178.644 176.300 0.137 0.000 0.997 545 D CA 1.307 55.340 54.000 0.054 0.000 0.840 545 D CB -0.032 40.814 40.800 0.077 0.000 0.947 545 D HN 0.341 nan 8.370 nan 0.000 0.452 546 Q N -0.206 119.649 119.800 0.091 0.000 2.084 546 Q HA -0.098 4.272 4.340 0.050 0.000 0.202 546 Q C 2.564 178.611 176.000 0.078 0.000 0.978 546 Q CA 0.732 56.604 55.803 0.116 0.000 0.844 546 Q CB -0.369 28.454 28.738 0.142 0.000 0.898 546 Q HN 0.470 nan 8.270 nan 0.000 0.426 547 L N -0.010 121.187 121.223 -0.043 0.000 2.141 547 L HA -0.106 4.264 4.340 0.050 0.000 0.209 547 L C 2.319 179.083 176.870 -0.175 0.000 1.094 547 L CA 0.888 55.623 54.840 -0.174 0.000 0.763 547 L CB -0.628 41.220 42.059 -0.352 0.000 0.908 547 L HN 0.099 nan 8.230 nan 0.000 0.437 548 A N -0.699 122.042 122.820 -0.131 0.000 2.067 548 A HA -0.204 4.146 4.320 0.050 0.000 0.219 548 A C 1.771 179.182 177.584 -0.288 0.000 1.158 548 A CA 1.228 53.150 52.037 -0.193 0.000 0.661 548 A CB -0.706 18.187 19.000 -0.178 0.000 0.801 548 A HN 0.437 nan 8.150 nan 0.000 0.452 549 H N -1.131 117.743 119.070 -0.327 0.000 2.547 549 H HA 0.216 4.802 4.556 0.050 0.000 0.272 549 H C 1.580 176.637 175.328 -0.451 0.000 0.989 549 H CA 1.154 56.867 56.048 -0.559 0.000 1.214 549 H CB 0.050 29.096 29.762 -1.193 0.000 1.389 549 H HN 0.508 nan 8.280 nan 0.000 0.577 550 I N -1.279 119.201 120.570 -0.149 0.000 2.900 550 I HA 0.081 4.281 4.170 0.050 0.000 0.251 550 I C -0.138 175.907 176.117 -0.121 0.000 1.102 550 I CA 0.401 61.673 61.300 -0.046 0.000 1.457 550 I CB 0.669 38.665 38.000 -0.007 0.000 1.285 550 I HN 0.085 nan 8.210 nan 0.000 0.459 551 D N -0.325 119.930 120.400 -0.242 0.000 2.931 551 D HA 0.174 4.843 4.640 0.050 0.000 0.215 551 D C 0.294 176.433 176.300 -0.268 0.000 1.297 551 D CA -0.364 53.477 54.000 -0.264 0.000 0.892 551 D CB 1.551 42.069 40.800 -0.470 0.000 1.642 551 D HN -0.043 nan 8.370 nan 0.000 0.560 552 L N 2.851 123.976 121.223 -0.163 0.000 2.083 552 L HA -0.097 4.273 4.340 0.050 0.000 0.209 552 L C 1.331 178.129 176.870 -0.119 0.000 1.083 552 L CA 1.786 56.544 54.840 -0.136 0.000 0.752 552 L CB -0.425 41.580 42.059 -0.089 0.000 0.899 552 L HN 0.581 nan 8.230 nan 0.000 0.433 553 T N 0.629 115.140 114.554 -0.071 0.000 2.708 553 T HA -0.212 4.168 4.350 0.050 0.000 0.266 553 T C 1.797 176.457 174.700 -0.066 0.000 1.037 553 T CA 1.578 63.683 62.100 0.007 0.000 1.146 553 T CB -0.362 68.603 68.868 0.162 0.000 0.865 553 T HN 0.275 nan 8.240 nan 0.000 0.435 554 L N 1.821 122.851 121.223 -0.322 0.000 1.971 554 L HA -0.049 4.321 4.340 0.050 0.000 0.215 554 L C 2.612 179.260 176.870 -0.369 0.000 1.072 554 L CA 2.291 56.753 54.840 -0.630 0.000 0.758 554 L CB -1.282 39.948 42.059 -1.382 0.000 0.889 554 L HN 0.224 nan 8.230 nan 0.000 0.433 555 A N -1.152 121.465 122.820 -0.339 0.000 1.883 555 A HA -0.293 4.057 4.320 0.050 0.000 0.217 555 A C 2.271 179.758 177.584 -0.161 0.000 1.186 555 A CA 2.046 53.932 52.037 -0.252 0.000 0.624 555 A CB -0.781 18.090 19.000 -0.216 0.000 0.822 555 A HN 0.699 nan 8.150 nan 0.000 0.444 556 Q N -0.948 118.782 119.800 -0.117 0.000 2.084 556 Q HA -0.108 4.262 4.340 0.050 0.000 0.202 556 Q C 2.420 178.395 176.000 -0.042 0.000 0.978 556 Q CA 1.368 57.131 55.803 -0.067 0.000 0.844 556 Q CB -0.368 28.345 28.738 -0.043 0.000 0.898 556 Q HN 0.703 nan 8.270 nan 0.000 0.426 557 A N -0.054 122.748 122.820 -0.030 0.000 1.902 557 A HA -0.157 4.193 4.320 0.050 0.000 0.217 557 A C 2.249 179.836 177.584 0.005 0.000 1.181 557 A CA 1.479 53.524 52.037 0.014 0.000 0.623 557 A CB -0.656 18.384 19.000 0.067 0.000 0.818 557 A HN 0.237 nan 8.150 nan 0.000 0.443 558 V N -0.206 119.682 119.914 -0.044 0.000 2.358 558 V HA -0.203 3.947 4.120 0.050 0.000 0.246 558 V C 3.059 179.121 176.094 -0.054 0.000 1.047 558 V CA 1.769 64.039 62.300 -0.050 0.000 1.035 558 V CB -1.313 30.424 31.823 -0.142 0.000 0.658 558 V HN 0.616 nan 8.190 nan 0.000 0.452 559 A N 0.131 122.908 122.820 -0.072 0.000 1.892 559 A HA -0.336 4.014 4.320 0.050 0.000 0.218 559 A C 2.337 179.903 177.584 -0.029 0.000 1.188 559 A CA 2.533 54.537 52.037 -0.055 0.000 0.631 559 A CB -0.588 18.377 19.000 -0.058 0.000 0.822 559 A HN 0.550 nan 8.150 nan 0.000 0.447 560 K N -0.497 119.894 120.400 -0.015 0.000 2.032 560 K HA -0.214 4.136 4.320 0.050 0.000 0.209 560 K C 1.557 178.163 176.600 0.010 0.000 1.048 560 K CA 1.734 58.022 56.287 0.001 0.000 0.927 560 K CB -0.243 32.264 32.500 0.012 0.000 0.712 560 K HN 0.442 nan 8.250 nan 0.000 0.441 561 N N 0.615 119.325 118.700 0.016 0.000 2.364 561 N HA -0.116 4.654 4.740 0.050 0.000 0.183 561 N C 1.303 176.818 175.510 0.008 0.000 1.022 561 N CA 0.941 54.007 53.050 0.027 0.000 0.883 561 N CB 0.053 38.569 38.487 0.047 0.000 0.965 561 N HN 0.300 nan 8.380 nan 0.000 0.438 562 L N -1.276 119.940 121.223 -0.011 0.000 2.693 562 L HA 0.279 4.649 4.340 0.050 0.000 0.235 562 L C 0.948 177.806 176.870 -0.019 0.000 1.127 562 L CA -0.013 54.811 54.840 -0.027 0.000 0.914 562 L CB 0.099 42.127 42.059 -0.051 0.000 1.193 562 L HN 0.071 nan 8.230 nan 0.000 0.502 563 G N 1.589 110.383 108.800 -0.010 0.000 2.198 563 G HA2 -0.271 3.719 3.960 0.050 0.000 0.257 563 G HA3 -0.271 3.719 3.960 0.050 0.000 0.257 563 G C -0.010 174.884 174.900 -0.010 0.000 1.042 563 G CA 0.010 45.106 45.100 -0.006 0.000 0.791 563 G HN 0.296 nan 8.290 nan 0.000 0.502 564 I N 0.002 120.562 120.570 -0.017 0.000 2.493 564 I HA 0.428 4.628 4.170 0.050 0.000 0.298 564 I C 0.185 176.290 176.117 -0.020 0.000 0.998 564 I CA -0.701 60.587 61.300 -0.019 0.000 1.137 564 I CB 1.711 39.693 38.000 -0.030 0.000 1.310 564 I HN 0.063 nan 8.210 nan 0.000 0.445 565 E N 6.052 126.242 120.200 -0.017 0.000 2.158 565 E HA 0.435 4.815 4.350 0.050 0.000 0.271 565 E C -1.043 175.543 176.600 -0.023 0.000 0.911 565 E CA -0.766 55.623 56.400 -0.018 0.000 0.767 565 E CB 2.195 31.888 29.700 -0.012 0.000 1.120 565 E HN 0.418 nan 8.360 nan 0.000 0.405 566 L N 3.105 124.309 121.223 -0.031 0.000 2.453 566 L HA 0.076 4.446 4.340 0.050 0.000 0.272 566 L C 1.219 178.069 176.870 -0.032 0.000 1.182 566 L CA -0.104 54.713 54.840 -0.039 0.000 0.858 566 L CB 0.039 42.067 42.059 -0.053 0.000 1.120 566 L HN 0.657 nan 8.230 nan 0.000 0.474 567 T N -1.774 112.761 114.554 -0.030 0.000 2.701 567 T HA 0.007 4.387 4.350 0.050 0.000 0.303 567 T C 0.759 175.439 174.700 -0.033 0.000 1.030 567 T CA -0.632 61.452 62.100 -0.026 0.000 1.010 567 T CB 0.859 69.715 68.868 -0.020 0.000 1.007 567 T HN 0.514 nan 8.240 nan 0.000 0.532 568 D N 0.227 120.610 120.400 -0.027 0.000 2.144 568 D HA -0.043 4.627 4.640 0.050 0.000 0.200 568 D C 1.777 178.054 176.300 -0.039 0.000 0.978 568 D CA 1.013 54.995 54.000 -0.030 0.000 0.833 568 D CB -0.311 40.476 40.800 -0.022 0.000 0.961 568 D HN 0.581 nan 8.370 nan 0.000 0.470 569 D N 0.375 120.753 120.400 -0.037 0.000 2.117 569 D HA -0.129 4.541 4.640 0.050 0.000 0.197 569 D C 2.036 178.291 176.300 -0.076 0.000 0.987 569 D CA 0.762 54.735 54.000 -0.046 0.000 0.829 569 D CB -0.267 40.514 40.800 -0.031 0.000 0.961 569 D HN 0.317 nan 8.370 nan 0.000 0.460 570 Q N -0.386 119.369 119.800 -0.075 0.000 2.124 570 Q HA -0.098 4.272 4.340 0.050 0.000 0.202 570 Q C 1.798 177.725 176.000 -0.121 0.000 0.977 570 Q CA 0.531 56.268 55.803 -0.110 0.000 0.850 570 Q CB 0.032 28.720 28.738 -0.083 0.000 0.901 570 Q HN 0.166 nan 8.270 nan 0.000 0.429 571 L N 0.360 121.531 121.223 -0.086 0.000 2.362 571 L HA -0.120 4.250 4.340 0.050 0.000 0.219 571 L C 0.662 177.483 176.870 -0.082 0.000 1.134 571 L CA 1.628 56.422 54.840 -0.077 0.000 0.807 571 L CB -0.457 41.570 42.059 -0.053 0.000 0.927 571 L HN 0.208 nan 8.230 nan 0.000 0.447 572 N N -1.674 116.972 118.700 -0.090 0.000 2.200 572 N HA 0.220 4.990 4.740 0.050 0.000 0.224 572 N C 0.092 175.539 175.510 -0.105 0.000 1.179 572 N CA -0.170 52.831 53.050 -0.080 0.000 0.877 572 N CB 0.687 39.140 38.487 -0.057 0.000 1.072 572 N HN 0.127 nan 8.380 nan 0.000 0.519 573 I N 1.683 122.154 120.570 -0.164 0.000 2.587 573 I HA -0.039 4.161 4.170 0.050 0.000 0.284 573 I C 0.349 176.367 176.117 -0.165 0.000 1.134 573 I CA 0.266 61.431 61.300 -0.225 0.000 1.410 573 I CB 0.467 38.194 38.000 -0.454 0.000 1.392 573 I HN 0.064 nan 8.210 nan 0.000 0.545 574 T N 8.340 122.827 114.554 -0.112 0.000 2.888 574 T HA 0.137 4.517 4.350 0.050 0.000 0.301 574 T C -1.989 172.669 174.700 -0.071 0.000 1.001 574 T CA -0.828 61.232 62.100 -0.067 0.000 1.147 574 T CB 0.044 68.893 68.868 -0.031 0.000 0.931 574 T HN 0.396 nan 8.240 nan 0.000 0.541 575 P HA 0.205 nan 4.420 nan 0.000 0.269 575 P C -2.318 174.992 177.300 0.017 0.000 1.215 575 P CA -1.374 61.709 63.100 -0.029 0.000 0.780 575 P CB -0.464 31.232 31.700 -0.007 0.000 0.898 576 P HA 0.203 nan 4.420 nan 0.000 0.272 576 P C -2.390 174.963 177.300 0.088 0.000 1.230 576 P CA -1.214 61.950 63.100 0.106 0.000 0.788 576 P CB -1.031 30.780 31.700 0.187 0.000 0.949 577 P HA 0.051 nan 4.420 nan 0.000 0.271 577 P C -0.409 176.940 177.300 0.083 0.000 1.233 577 P CA 0.129 63.276 63.100 0.079 0.000 0.789 577 P CB 0.040 31.789 31.700 0.082 0.000 0.951 578 D N -0.655 119.786 120.400 0.070 0.000 2.371 578 D HA 0.185 4.855 4.640 0.050 0.000 0.242 578 D C -0.430 175.921 176.300 0.084 0.000 1.218 578 D CA -0.444 53.595 54.000 0.064 0.000 0.945 578 D CB -0.096 40.735 40.800 0.050 0.000 1.137 578 D HN -0.016 nan 8.370 nan 0.000 0.464 579 V N 1.388 121.343 119.914 0.068 0.000 2.348 579 V HA 0.140 4.290 4.120 0.050 0.000 0.270 579 V C -0.079 176.110 176.094 0.159 0.000 1.037 579 V CA -0.802 61.570 62.300 0.120 0.000 0.872 579 V CB -0.341 31.462 31.823 -0.033 0.000 1.002 579 V HN 0.676 nan 8.190 nan 0.000 0.464 580 N N 4.524 123.342 118.700 0.196 0.000 2.707 580 N HA -0.234 4.536 4.740 0.050 0.000 0.253 580 N C 1.183 176.762 175.510 0.115 0.000 0.998 580 N CA 1.172 54.322 53.050 0.167 0.000 0.751 580 N CB -0.868 37.764 38.487 0.242 0.000 0.920 580 N HN 1.319 nan 8.380 nan 0.000 0.539 581 G N -2.138 106.714 108.800 0.087 0.000 2.179 581 G HA2 -0.332 3.658 3.960 0.050 0.000 0.260 581 G HA3 -0.332 3.658 3.960 0.050 0.000 0.260 581 G C 0.094 175.026 174.900 0.053 0.000 0.977 581 G CA 0.370 45.507 45.100 0.062 0.000 0.641 581 G HN 0.425 nan 8.290 nan 0.000 0.533 582 L N -0.002 121.256 121.223 0.058 0.000 2.305 582 L HA 0.448 4.818 4.340 0.050 0.000 0.281 582 L C 1.336 178.220 176.870 0.024 0.000 1.085 582 L CA -0.325 54.539 54.840 0.039 0.000 0.813 582 L CB 1.335 43.417 42.059 0.038 0.000 1.157 582 L HN 0.049 nan 8.230 nan 0.000 0.436 583 K N 3.161 123.570 120.400 0.014 0.000 2.373 583 K HA 0.160 4.510 4.320 0.050 0.000 0.202 583 K C -0.582 176.010 176.600 -0.013 0.000 1.025 583 K CA 0.007 56.298 56.287 0.007 0.000 1.115 583 K CB 0.454 32.959 32.500 0.009 0.000 0.858 583 K HN 0.548 nan 8.250 nan 0.000 0.525 584 K N -0.566 119.822 120.400 -0.021 0.000 2.870 584 K HA 0.162 4.512 4.320 0.050 0.000 0.290 584 K C -2.271 174.309 176.600 -0.034 0.000 1.070 584 K CA -0.934 55.325 56.287 -0.047 0.000 0.843 584 K CB 0.947 33.402 32.500 -0.076 0.000 1.475 584 K HN -0.218 nan 8.250 nan 0.000 0.359 585 D N 1.657 122.030 120.400 -0.044 0.000 2.479 585 D HA 0.341 5.011 4.640 0.050 0.000 0.246 585 D C -2.235 174.046 176.300 -0.032 0.000 1.336 585 D CA -2.013 51.978 54.000 -0.015 0.000 0.967 585 D CB 2.248 43.058 40.800 0.018 0.000 1.275 585 D HN 0.245 nan 8.370 nan 0.000 0.577 586 P HA -0.052 nan 4.420 nan 0.000 0.230 586 P C 1.223 178.512 177.300 -0.019 0.000 1.158 586 P CA 0.640 63.709 63.100 -0.052 0.000 0.769 586 P CB 0.220 31.899 31.700 -0.035 0.000 0.807 587 S N -1.090 114.630 115.700 0.034 0.000 2.507 587 S HA -0.049 4.451 4.470 0.050 0.000 0.235 587 S C 1.608 176.284 174.600 0.125 0.000 0.988 587 S CA 0.746 59.002 58.200 0.092 0.000 0.944 587 S CB -1.314 61.965 63.200 0.133 0.000 0.762 587 S HN 0.155 nan 8.310 nan 0.000 0.526 588 L N 1.213 122.468 121.223 0.054 0.000 2.509 588 L HA 0.223 4.593 4.340 0.050 0.000 0.222 588 L C 1.358 178.120 176.870 -0.181 0.000 1.123 588 L CA 0.084 54.946 54.840 0.037 0.000 0.856 588 L CB -0.143 41.917 42.059 0.001 0.000 0.985 588 L HN 0.330 nan 8.230 nan 0.000 0.456 589 S N -0.484 115.103 115.700 -0.188 0.000 2.554 589 S HA 0.310 4.810 4.470 0.050 0.000 0.278 589 S C 1.087 175.568 174.600 -0.199 0.000 1.242 589 S CA -0.654 57.378 58.200 -0.279 0.000 1.051 589 S CB 1.403 64.440 63.200 -0.272 0.000 0.986 589 S HN 0.165 nan 8.310 nan 0.000 0.502 590 L N 3.266 124.298 121.223 -0.318 0.000 2.093 590 L HA -0.026 4.344 4.340 0.050 0.000 0.208 590 L C 0.835 177.434 176.870 -0.452 0.000 1.085 590 L CA 1.302 55.852 54.840 -0.483 0.000 0.755 590 L CB -0.284 41.177 42.059 -0.996 0.000 0.904 590 L HN 0.778 nan 8.230 nan 0.000 0.435 591 Y N -2.616 117.675 120.300 -0.014 0.000 2.499 591 Y HA 0.337 4.917 4.550 0.050 0.000 0.253 591 Y C 2.066 177.988 175.900 0.038 0.000 1.105 591 Y CA -0.155 57.992 58.100 0.078 0.000 1.240 591 Y CB -0.423 38.131 38.460 0.158 0.000 1.289 591 Y HN -0.054 nan 8.280 nan 0.000 0.534 592 A N 0.736 123.583 122.820 0.046 0.000 1.917 592 A HA -0.110 4.240 4.320 0.050 0.000 0.219 592 A C 0.915 178.535 177.584 0.060 0.000 1.182 592 A CA 1.294 53.331 52.037 -0.000 0.000 0.633 592 A CB -0.725 18.222 19.000 -0.089 0.000 0.819 592 A HN 0.309 nan 8.150 nan 0.000 0.448 593 I N 0.847 121.460 120.570 0.071 0.000 2.354 593 I HA 0.255 4.455 4.170 0.050 0.000 0.286 593 I C -2.500 173.689 176.117 0.121 0.000 1.007 593 I CA -2.252 59.097 61.300 0.082 0.000 1.167 593 I CB 1.690 39.725 38.000 0.058 0.000 1.320 593 I HN 0.006 nan 8.210 nan 0.000 0.458 594 P HA 0.028 nan 4.420 nan 0.000 0.264 594 P C -0.603 176.774 177.300 0.129 0.000 1.193 594 P CA 0.144 63.341 63.100 0.162 0.000 0.763 594 P CB 0.365 32.145 31.700 0.134 0.000 0.810 595 D N 1.465 121.950 120.400 0.141 0.000 2.940 595 D HA 0.156 4.826 4.640 0.050 0.000 0.366 595 D C 0.363 176.724 176.300 0.102 0.000 1.446 595 D CA -0.544 53.520 54.000 0.105 0.000 0.780 595 D CB -0.322 40.534 40.800 0.093 0.000 1.206 595 D HN 0.301 nan 8.370 nan 0.000 0.454 596 G N 0.025 108.893 108.800 0.113 0.000 2.483 596 G HA2 0.377 4.367 3.960 0.050 0.000 0.248 596 G HA3 0.377 4.367 3.960 0.050 0.000 0.248 596 G C -0.686 174.252 174.900 0.064 0.000 1.248 596 G CA -0.122 45.039 45.100 0.102 0.000 0.838 596 G HN 0.213 nan 8.290 nan 0.000 0.566 597 D N 0.450 120.881 120.400 0.051 0.000 2.890 597 D HA 0.181 4.851 4.640 0.050 0.000 0.233 597 D C 0.861 177.175 176.300 0.023 0.000 1.306 597 D CA -0.567 53.450 54.000 0.028 0.000 0.929 597 D CB 1.816 42.626 40.800 0.016 0.000 1.512 597 D HN 0.318 nan 8.370 nan 0.000 0.568 598 V N 1.805 121.725 119.914 0.011 0.000 3.541 598 V HA 0.264 4.414 4.120 0.050 0.000 0.267 598 V C 0.980 177.058 176.094 -0.027 0.000 1.213 598 V CA 0.103 62.405 62.300 0.002 0.000 1.149 598 V CB -0.648 31.172 31.823 -0.005 0.000 0.822 598 V HN 0.398 nan 8.190 nan 0.000 0.462 599 K N 1.364 121.742 120.400 -0.037 0.000 2.447 599 K HA 0.400 4.750 4.320 0.050 0.000 0.281 599 K C 1.238 177.799 176.600 -0.064 0.000 1.031 599 K CA 1.038 57.281 56.287 -0.073 0.000 1.019 599 K CB 0.087 32.551 32.500 -0.060 0.000 0.918 599 K HN 0.702 nan 8.250 nan 0.000 0.476 600 G N 3.258 111.989 108.800 -0.115 0.000 2.195 600 G HA2 -0.211 3.779 3.960 0.050 0.000 0.246 600 G HA3 -0.211 3.779 3.960 0.050 0.000 0.246 600 G C 0.089 175.036 174.900 0.078 0.000 0.984 600 G CA -0.272 44.832 45.100 0.006 0.000 0.633 600 G HN 0.560 nan 8.290 nan 0.000 0.525 601 R N -0.167 120.348 120.500 0.026 0.000 2.738 601 R HA 0.670 5.040 4.340 0.050 0.000 0.275 601 R C 0.125 176.480 176.300 0.092 0.000 1.121 601 R CA -0.042 56.102 56.100 0.073 0.000 1.207 601 R CB 0.724 31.058 30.300 0.056 0.000 1.141 601 R HN 0.691 nan 8.270 nan 0.000 0.571 602 V N 0.315 120.300 119.914 0.118 0.000 2.841 602 V HA 0.455 4.605 4.120 0.050 0.000 0.310 602 V C -1.140 175.017 176.094 0.105 0.000 1.090 602 V CA -0.736 61.647 62.300 0.139 0.000 0.930 602 V CB 2.502 34.432 31.823 0.179 0.000 1.014 602 V HN 0.352 nan 8.190 nan 0.000 0.425 603 V N 5.496 125.466 119.914 0.094 0.000 2.555 603 V HA 0.815 4.965 4.120 0.050 0.000 0.302 603 V C 0.418 176.565 176.094 0.088 0.000 1.038 603 V CA -0.214 62.132 62.300 0.076 0.000 0.887 603 V CB 1.738 33.592 31.823 0.051 0.000 0.991 603 V HN 1.172 nan 8.190 nan 0.000 0.434 604 A N 5.895 128.773 122.820 0.097 0.000 2.328 604 A HA 0.782 5.132 4.320 0.050 0.000 0.284 604 A C -0.451 177.144 177.584 0.019 0.000 1.160 604 A CA -0.298 51.783 52.037 0.073 0.000 0.818 604 A CB 0.094 19.164 19.000 0.117 0.000 1.087 604 A HN 0.768 nan 8.150 nan 0.000 0.504 605 I N 3.333 123.909 120.570 0.010 0.000 2.330 605 I HA 0.178 4.378 4.170 0.050 0.000 0.289 605 I C -0.980 175.140 176.117 0.005 0.000 1.001 605 I CA -0.723 60.584 61.300 0.012 0.000 1.193 605 I CB 1.432 39.451 38.000 0.032 0.000 1.345 605 I HN 0.350 nan 8.210 nan 0.000 0.461 606 L N 7.697 128.914 121.223 -0.010 0.000 2.261 606 L HA 0.405 4.775 4.340 0.050 0.000 0.289 606 L C 0.093 177.054 176.870 0.151 0.000 1.059 606 L CA 0.024 54.901 54.840 0.063 0.000 0.816 606 L CB 0.454 42.429 42.059 -0.140 0.000 1.191 606 L HN 0.420 nan 8.230 nan 0.000 0.431 607 L N 3.531 124.894 121.223 0.233 0.000 2.439 607 L HA 0.452 4.822 4.340 0.050 0.000 0.259 607 L C 0.192 177.249 176.870 0.313 0.000 1.129 607 L CA -0.676 54.266 54.840 0.170 0.000 0.803 607 L CB 1.143 43.216 42.059 0.024 0.000 1.161 607 L HN 0.728 nan 8.230 nan 0.000 0.462 608 N N -1.951 116.848 118.700 0.166 0.000 2.577 608 N HA 0.225 4.995 4.740 0.050 0.000 0.285 608 N C -0.205 175.318 175.510 0.022 0.000 1.309 608 N CA -0.760 52.430 53.050 0.234 0.000 0.798 608 N CB 0.731 39.337 38.487 0.199 0.000 1.463 608 N HN 0.541 nan 8.380 nan 0.000 0.518 609 D N -1.718 118.732 120.400 0.083 0.000 2.348 609 D HA -0.089 4.581 4.640 0.050 0.000 0.216 609 D C -0.342 175.933 176.300 -0.042 0.000 0.970 609 D CA 0.939 54.915 54.000 -0.040 0.000 0.889 609 D CB -0.013 40.828 40.800 0.069 0.000 0.912 609 D HN 0.755 nan 8.370 nan 0.000 0.524 610 E N 0.396 120.590 120.200 -0.009 0.000 3.352 610 E HA 0.251 4.631 4.350 0.050 0.000 0.254 610 E C -1.240 175.355 176.600 -0.009 0.000 1.229 610 E CA -0.410 55.981 56.400 -0.015 0.000 0.949 610 E CB 1.001 30.699 29.700 -0.004 0.000 1.373 610 E HN -0.124 nan 8.360 nan 0.000 0.392 611 V N 2.234 122.135 119.914 -0.022 0.000 2.740 611 V HA 0.050 4.200 4.120 0.050 0.000 0.303 611 V C 0.817 176.901 176.094 -0.017 0.000 1.054 611 V CA 0.253 62.545 62.300 -0.012 0.000 1.106 611 V CB 0.849 32.660 31.823 -0.019 0.000 0.957 611 V HN 0.514 nan 8.190 nan 0.000 0.486 612 R N 3.369 123.859 120.500 -0.016 0.000 2.435 612 R HA 0.030 4.400 4.340 0.050 0.000 0.325 612 R C 1.683 177.965 176.300 -0.030 0.000 1.149 612 R CA 0.601 56.685 56.100 -0.026 0.000 0.995 612 R CB 0.125 30.404 30.300 -0.035 0.000 1.008 612 R HN 0.998 nan 8.270 nan 0.000 0.470 613 S N 2.850 118.533 115.700 -0.028 0.000 2.402 613 S HA -0.256 4.243 4.470 0.050 0.000 0.233 613 S C 1.880 176.463 174.600 -0.028 0.000 1.030 613 S CA 1.099 59.283 58.200 -0.026 0.000 1.003 613 S CB -0.117 63.069 63.200 -0.023 0.000 0.813 613 S HN 0.665 nan 8.310 nan 0.000 0.477 614 A N 1.638 124.438 122.820 -0.034 0.000 2.014 614 A HA -0.007 4.343 4.320 0.050 0.000 0.218 614 A C 1.925 179.477 177.584 -0.053 0.000 1.163 614 A CA 1.303 53.316 52.037 -0.039 0.000 0.652 614 A CB -0.592 18.384 19.000 -0.040 0.000 0.808 614 A HN 0.473 nan 8.150 nan 0.000 0.449 615 D N -0.077 120.283 120.400 -0.067 0.000 2.084 615 D HA -0.108 4.562 4.640 0.050 0.000 0.196 615 D C 1.932 178.201 176.300 -0.052 0.000 0.985 615 D CA 0.774 54.717 54.000 -0.096 0.000 0.826 615 D CB -0.328 40.406 40.800 -0.110 0.000 0.978 615 D HN 0.334 nan 8.370 nan 0.000 0.456 616 L N 0.236 121.441 121.223 -0.029 0.000 2.046 616 L HA -0.180 4.190 4.340 0.050 0.000 0.208 616 L C 2.262 179.131 176.870 -0.002 0.000 1.077 616 L CA 0.725 55.560 54.840 -0.007 0.000 0.747 616 L CB -0.155 41.899 42.059 -0.008 0.000 0.896 616 L HN 0.096 nan 8.230 nan 0.000 0.432 617 L N -0.102 121.115 121.223 -0.010 0.000 2.042 617 L HA -0.188 4.182 4.340 0.050 0.000 0.210 617 L C 2.731 179.602 176.870 0.002 0.000 1.076 617 L CA 2.138 56.975 54.840 -0.005 0.000 0.749 617 L CB -1.063 40.990 42.059 -0.010 0.000 0.893 617 L HN 0.223 nan 8.230 nan 0.000 0.432 618 A N -0.793 122.024 122.820 -0.005 0.000 1.898 618 A HA -0.151 4.199 4.320 0.050 0.000 0.216 618 A C 2.279 179.884 177.584 0.035 0.000 1.181 618 A CA 1.632 53.673 52.037 0.007 0.000 0.620 618 A CB -0.658 18.334 19.000 -0.014 0.000 0.819 618 A HN 0.391 nan 8.150 nan 0.000 0.442 619 I N -0.153 120.442 120.570 0.043 0.000 2.069 619 I HA -0.315 3.885 4.170 0.050 0.000 0.237 619 I C 2.441 178.590 176.117 0.054 0.000 1.053 619 I CA 1.561 62.908 61.300 0.079 0.000 1.311 619 I CB -0.467 37.583 38.000 0.084 0.000 1.030 619 I HN 0.285 nan 8.210 nan 0.000 0.398 620 L N 0.440 121.685 121.223 0.037 0.000 2.083 620 L HA -0.236 4.134 4.340 0.050 0.000 0.209 620 L C 2.666 179.549 176.870 0.022 0.000 1.083 620 L CA 1.406 56.263 54.840 0.029 0.000 0.752 620 L CB -0.672 41.401 42.059 0.023 0.000 0.899 620 L HN 0.297 nan 8.230 nan 0.000 0.433 621 K N 0.644 121.056 120.400 0.020 0.000 2.026 621 K HA -0.205 4.145 4.320 0.050 0.000 0.208 621 K C 2.093 178.703 176.600 0.016 0.000 1.048 621 K CA 1.570 57.866 56.287 0.015 0.000 0.929 621 K CB -0.059 32.449 32.500 0.013 0.000 0.713 621 K HN 0.268 nan 8.250 nan 0.000 0.439 622 A N 1.223 124.058 122.820 0.025 0.000 1.929 622 A HA -0.016 4.334 4.320 0.050 0.000 0.216 622 A C 2.125 179.715 177.584 0.010 0.000 1.176 622 A CA 0.821 52.871 52.037 0.023 0.000 0.628 622 A CB -0.410 18.614 19.000 0.040 0.000 0.816 622 A HN 0.292 nan 8.150 nan 0.000 0.444 623 L N -0.451 120.779 121.223 0.012 0.000 1.994 623 L HA -0.218 4.152 4.340 0.050 0.000 0.208 623 L C 2.596 179.448 176.870 -0.030 0.000 1.071 623 L CA 1.979 56.814 54.840 -0.008 0.000 0.745 623 L CB -0.570 41.491 42.059 0.004 0.000 0.892 623 L HN 0.428 nan 8.230 nan 0.000 0.431 624 K N 0.510 120.901 120.400 -0.014 0.000 2.059 624 K HA -0.275 4.075 4.320 0.050 0.000 0.212 624 K C 2.050 178.635 176.600 -0.025 0.000 1.050 624 K CA 1.855 58.132 56.287 -0.018 0.000 0.927 624 K CB -0.182 32.319 32.500 0.002 0.000 0.714 624 K HN 0.320 nan 8.250 nan 0.000 0.447 625 A N 0.703 123.514 122.820 -0.015 0.000 2.070 625 A HA -0.110 4.240 4.320 0.050 0.000 0.220 625 A C 1.578 179.148 177.584 -0.023 0.000 1.159 625 A CA 1.320 53.349 52.037 -0.013 0.000 0.656 625 A CB -0.073 18.925 19.000 -0.003 0.000 0.800 625 A HN 0.227 nan 8.150 nan 0.000 0.453 626 K N -1.654 118.725 120.400 -0.035 0.000 2.358 626 K HA 0.223 4.573 4.320 0.050 0.000 0.200 626 K C 0.819 177.372 176.600 -0.079 0.000 1.030 626 K CA 0.567 56.827 56.287 -0.044 0.000 1.097 626 K CB 0.401 32.880 32.500 -0.035 0.000 0.862 626 K HN 0.640 nan 8.250 nan 0.000 0.534 627 G N 1.787 110.524 108.800 -0.106 0.000 2.160 627 G HA2 -0.221 3.769 3.960 0.050 0.000 0.244 627 G HA3 -0.221 3.769 3.960 0.050 0.000 0.244 627 G C 0.035 174.730 174.900 -0.342 0.000 1.022 627 G CA 0.105 45.096 45.100 -0.183 0.000 0.741 627 G HN 0.105 nan 8.290 nan 0.000 0.508 628 V N 0.853 120.609 119.914 -0.262 0.000 2.439 628 V HA 0.525 4.675 4.120 0.050 0.000 0.282 628 V C 0.787 176.703 176.094 -0.297 0.000 1.039 628 V CA -0.787 61.353 62.300 -0.267 0.000 0.913 628 V CB 1.112 32.873 31.823 -0.102 0.000 0.983 628 V HN 0.454 nan 8.190 nan 0.000 0.460 629 H N 1.804 120.885 119.070 0.018 0.000 2.509 629 H HA 0.792 5.378 4.556 0.050 0.000 0.359 629 H C 0.187 175.534 175.328 0.032 0.000 1.253 629 H CA 0.075 56.136 56.048 0.022 0.000 1.373 629 H CB 1.122 30.898 29.762 0.023 0.000 1.555 629 H HN 0.858 nan 8.280 nan 0.000 0.586 630 A N 0.864 123.786 122.820 0.171 0.000 2.475 630 A HA 0.520 4.870 4.320 0.050 0.000 0.301 630 A C -1.170 176.469 177.584 0.091 0.000 1.059 630 A CA -1.053 51.047 52.037 0.105 0.000 0.710 630 A CB 1.253 20.297 19.000 0.073 0.000 1.288 630 A HN 0.775 nan 8.150 nan 0.000 0.408 631 K N 2.440 122.886 120.400 0.077 0.000 2.376 631 K HA 0.695 5.045 4.320 0.050 0.000 0.257 631 K C -1.548 175.075 176.600 0.037 0.000 0.939 631 K CA -0.546 55.776 56.287 0.057 0.000 0.809 631 K CB 1.499 34.039 32.500 0.068 0.000 1.121 631 K HN 0.531 nan 8.250 nan 0.000 0.425 632 L N 4.217 125.453 121.223 0.021 0.000 2.260 632 L HA 0.314 4.684 4.340 0.050 0.000 0.289 632 L C -0.734 176.131 176.870 -0.008 0.000 1.057 632 L CA -1.075 53.770 54.840 0.008 0.000 0.811 632 L CB 0.477 42.534 42.059 -0.003 0.000 1.184 632 L HN 0.485 nan 8.230 nan 0.000 0.429 633 L N 4.328 125.547 121.223 -0.007 0.000 2.334 633 L HA 0.598 4.968 4.340 0.050 0.000 0.273 633 L C -0.494 176.297 176.870 -0.132 0.000 1.013 633 L CA -0.272 54.519 54.840 -0.082 0.000 0.816 633 L CB 1.602 43.630 42.059 -0.052 0.000 1.278 633 L HN 0.343 nan 8.230 nan 0.000 0.431 634 Y N -0.552 119.330 120.300 -0.696 0.000 2.974 634 Y HA 0.317 4.897 4.550 0.050 0.000 0.310 634 Y C 0.927 176.068 175.900 -1.265 0.000 1.551 634 Y CA -0.312 57.278 58.100 -0.850 0.000 1.084 634 Y CB 1.322 39.599 38.460 -0.306 0.000 1.446 634 Y HN 0.549 nan 8.280 nan 0.000 0.472 635 S N 0.370 115.246 115.700 -1.373 0.000 2.524 635 S HA 0.286 4.786 4.470 0.050 0.000 0.216 635 S C 0.031 174.380 174.600 -0.418 0.000 0.987 635 S CA 0.177 57.908 58.200 -0.781 0.000 0.909 635 S CB 0.034 62.881 63.200 -0.588 0.000 0.781 635 S HN 0.580 nan 8.310 nan 0.000 0.521 636 R N -1.070 119.269 120.500 -0.269 0.000 2.846 636 R HA 0.657 5.027 4.340 0.050 0.000 0.263 636 R C -0.711 175.597 176.300 0.013 0.000 1.080 636 R CA -1.155 54.906 56.100 -0.064 0.000 0.961 636 R CB 0.439 30.743 30.300 0.006 0.000 1.231 636 R HN -0.072 nan 8.270 nan 0.000 0.465 637 M N -0.057 119.547 119.600 0.007 0.000 2.154 637 M HA 0.476 4.986 4.480 0.050 0.000 0.251 637 M C 0.988 177.304 176.300 0.027 0.000 1.200 637 M CA 0.891 56.197 55.300 0.011 0.000 0.967 637 M CB 0.558 33.156 32.600 -0.004 0.000 1.362 637 M HN 1.026 nan 8.290 nan 0.000 0.522 638 G N 0.829 109.633 108.800 0.007 0.000 2.715 638 G HA2 -0.113 3.876 3.960 0.050 0.000 0.221 638 G HA3 -0.113 3.876 3.960 0.050 0.000 0.221 638 G C -1.020 173.867 174.900 -0.023 0.000 1.204 638 G CA -0.098 45.000 45.100 -0.003 0.000 1.063 638 G HN 0.758 nan 8.290 nan 0.000 0.586 639 E N -0.889 119.287 120.200 -0.040 0.000 2.429 639 E HA 0.706 5.086 4.350 0.050 0.000 0.276 639 E C -0.463 176.060 176.600 -0.129 0.000 0.953 639 E CA -0.724 55.631 56.400 -0.076 0.000 0.787 639 E CB 2.733 32.401 29.700 -0.054 0.000 1.307 639 E HN 1.565 nan 8.360 nan 0.000 0.458 640 V N -2.430 117.377 119.914 -0.179 0.000 3.141 640 V HA 0.787 4.937 4.120 0.050 0.000 0.312 640 V C -0.697 175.314 176.094 -0.138 0.000 1.157 640 V CA -0.693 61.477 62.300 -0.217 0.000 1.041 640 V CB 1.915 33.485 31.823 -0.421 0.000 1.071 640 V HN 0.737 nan 8.190 nan 0.000 0.441 641 T N 1.751 116.237 114.554 -0.113 0.000 2.824 641 T HA 0.802 5.182 4.350 0.050 0.000 0.282 641 T C 0.164 174.826 174.700 -0.064 0.000 0.993 641 T CA 0.265 62.322 62.100 -0.073 0.000 0.967 641 T CB 1.369 70.207 68.868 -0.051 0.000 0.960 641 T HN 1.382 nan 8.240 nan 0.000 0.441 642 A N 2.164 124.953 122.820 -0.052 0.000 2.366 642 A HA 0.336 4.686 4.320 0.050 0.000 0.250 642 A C 1.534 179.100 177.584 -0.031 0.000 1.099 642 A CA -0.236 51.776 52.037 -0.041 0.000 0.794 642 A CB 0.016 18.994 19.000 -0.035 0.000 1.056 642 A HN 0.927 nan 8.150 nan 0.000 0.499 643 D N 0.115 120.500 120.400 -0.025 0.000 2.190 643 D HA -0.209 4.461 4.640 0.050 0.000 0.200 643 D C 0.570 176.858 176.300 -0.019 0.000 0.992 643 D CA 1.726 55.714 54.000 -0.020 0.000 0.854 643 D CB -0.278 40.511 40.800 -0.019 0.000 0.936 643 D HN 0.621 nan 8.370 nan 0.000 0.462 644 D N -1.706 118.682 120.400 -0.020 0.000 2.424 644 D HA 0.240 4.910 4.640 0.050 0.000 0.220 644 D C 1.554 177.843 176.300 -0.018 0.000 1.150 644 D CA 0.161 54.150 54.000 -0.018 0.000 0.831 644 D CB -0.035 40.754 40.800 -0.018 0.000 0.981 644 D HN 0.347 nan 8.370 nan 0.000 0.500 645 G N 0.191 108.979 108.800 -0.021 0.000 2.176 645 G HA2 -0.285 3.705 3.960 0.050 0.000 0.253 645 G HA3 -0.285 3.705 3.960 0.050 0.000 0.253 645 G C 0.452 175.338 174.900 -0.023 0.000 0.979 645 G CA 0.321 45.408 45.100 -0.021 0.000 0.641 645 G HN 0.454 nan 8.290 nan 0.000 0.530 646 T N 1.032 115.572 114.554 -0.024 0.000 2.902 646 T HA 0.388 4.768 4.350 0.050 0.000 0.301 646 T C 0.564 175.244 174.700 -0.033 0.000 1.012 646 T CA 0.098 62.183 62.100 -0.025 0.000 1.151 646 T CB 2.293 71.147 68.868 -0.023 0.000 0.946 646 T HN 0.444 nan 8.240 nan 0.000 0.542 647 V N 5.176 125.071 119.914 -0.031 0.000 2.406 647 V HA 0.234 4.383 4.120 0.050 0.000 0.272 647 V C -0.263 175.806 176.094 -0.040 0.000 1.043 647 V CA -0.702 61.575 62.300 -0.038 0.000 0.915 647 V CB 0.941 32.745 31.823 -0.031 0.000 0.988 647 V HN 0.563 nan 8.190 nan 0.000 0.466 648 L N 9.456 130.645 121.223 -0.057 0.000 2.276 648 L HA 0.528 4.898 4.340 0.050 0.000 0.286 648 L C -2.146 174.685 176.870 -0.064 0.000 1.024 648 L CA -2.383 52.422 54.840 -0.059 0.000 0.826 648 L CB 1.450 43.463 42.059 -0.077 0.000 1.211 648 L HN 0.416 nan 8.230 nan 0.000 0.422 649 P HA 0.293 nan 4.420 nan 0.000 0.279 649 P C -0.393 176.885 177.300 -0.037 0.000 1.239 649 P CA -0.271 62.807 63.100 -0.037 0.000 0.789 649 P CB 1.181 32.869 31.700 -0.020 0.000 0.933 650 I N 1.999 122.547 120.570 -0.036 0.000 2.353 650 I HA 0.240 4.440 4.170 0.050 0.000 0.293 650 I C 1.535 177.641 176.117 -0.017 0.000 0.992 650 I CA -0.403 60.879 61.300 -0.029 0.000 1.268 650 I CB 1.503 39.491 38.000 -0.021 0.000 1.387 650 I HN 0.360 nan 8.210 nan 0.000 0.478 651 A N 5.180 127.992 122.820 -0.013 0.000 1.903 651 A HA 0.582 4.932 4.320 0.050 0.000 0.213 651 A C 0.964 178.544 177.584 -0.006 0.000 1.185 651 A CA 1.197 53.232 52.037 -0.003 0.000 0.628 651 A CB 0.034 19.039 19.000 0.009 0.000 0.830 651 A HN 0.795 nan 8.150 nan 0.000 0.446 652 A N -1.869 120.939 122.820 -0.020 0.000 2.586 652 A HA 0.584 4.934 4.320 0.050 0.000 0.290 652 A C -0.076 177.453 177.584 -0.093 0.000 1.086 652 A CA 0.106 52.127 52.037 -0.026 0.000 0.665 652 A CB -0.087 18.923 19.000 0.015 0.000 1.279 652 A HN 0.746 nan 8.150 nan 0.000 0.423 653 T N -1.527 112.966 114.554 -0.102 0.000 2.874 653 T HA 0.541 4.921 4.350 0.050 0.000 0.281 653 T C 0.943 175.564 174.700 -0.132 0.000 0.994 653 T CA -0.047 61.916 62.100 -0.227 0.000 1.015 653 T CB 0.077 68.861 68.868 -0.141 0.000 1.028 653 T HN 0.479 nan 8.240 nan 0.000 0.523 654 F N 0.725 120.688 119.950 0.021 0.000 2.115 654 F HA -0.104 4.453 4.527 0.050 0.000 0.300 654 F C 2.878 178.808 175.800 0.217 0.000 1.092 654 F CA 1.245 59.307 58.000 0.103 0.000 1.245 654 F CB -0.639 38.403 39.000 0.070 0.000 0.995 654 F HN 0.721 nan 8.300 nan 0.000 0.481 655 A N 0.077 123.057 122.820 0.268 0.000 1.975 655 A HA 0.126 4.475 4.320 0.050 0.000 0.215 655 A C 2.420 180.077 177.584 0.121 0.000 1.170 655 A CA 1.189 53.332 52.037 0.176 0.000 0.656 655 A CB -1.304 17.760 19.000 0.108 0.000 0.821 655 A HN 0.372 nan 8.150 nan 0.000 0.449 656 G N -0.693 108.162 108.800 0.093 0.000 2.421 656 G HA2 0.279 4.269 3.960 0.050 0.000 0.217 656 G HA3 0.279 4.269 3.960 0.050 0.000 0.217 656 G C 0.672 175.624 174.900 0.086 0.000 1.143 656 G CA 0.958 46.096 45.100 0.063 0.000 0.784 656 G HN 1.012 nan 8.290 nan 0.000 0.541 657 A N 0.880 123.787 122.820 0.145 0.000 2.978 657 A HA 0.712 5.062 4.320 0.050 0.000 0.341 657 A C -2.674 175.081 177.584 0.285 0.000 1.105 657 A CA -1.201 50.940 52.037 0.173 0.000 0.819 657 A CB 1.279 20.372 19.000 0.155 0.000 1.080 657 A HN 0.105 nan 8.150 nan 0.000 0.476 658 P HA 0.092 nan 4.420 nan 0.000 0.273 658 P C 1.338 178.484 177.300 -0.256 0.000 1.250 658 P CA 0.138 63.211 63.100 -0.046 0.000 0.793 658 P CB 0.767 32.418 31.700 -0.082 0.000 1.011 659 S N 0.532 115.718 115.700 -0.855 0.000 2.419 659 S HA -0.155 4.345 4.470 0.050 0.000 0.233 659 S C 1.812 176.276 174.600 -0.226 0.000 1.016 659 S CA 1.072 58.906 58.200 -0.610 0.000 0.974 659 S CB -1.443 61.290 63.200 -0.778 0.000 0.786 659 S HN 0.331 nan 8.310 nan 0.000 0.492 660 L N 1.900 122.990 121.223 -0.222 0.000 2.137 660 L HA -0.133 4.237 4.340 0.050 0.000 0.213 660 L C 2.930 179.630 176.870 -0.283 0.000 1.085 660 L CA 1.730 56.428 54.840 -0.237 0.000 0.760 660 L CB -1.492 40.403 42.059 -0.274 0.000 0.893 660 L HN 0.654 nan 8.230 nan 0.000 0.434 661 T N -3.362 111.097 114.554 -0.160 0.000 3.129 661 T HA 0.229 4.609 4.350 0.050 0.000 0.251 661 T C 0.358 175.139 174.700 0.136 0.000 1.117 661 T CA 0.165 62.242 62.100 -0.037 0.000 1.034 661 T CB -0.342 68.599 68.868 0.121 0.000 0.968 661 T HN 0.166 nan 8.240 nan 0.000 0.526 662 V N -2.727 117.235 119.914 0.079 0.000 3.126 662 V HA 0.569 4.719 4.120 0.050 0.000 0.314 662 V C -0.109 176.032 176.094 0.078 0.000 1.138 662 V CA -0.989 61.386 62.300 0.125 0.000 1.034 662 V CB 2.135 34.048 31.823 0.151 0.000 1.075 662 V HN -0.026 nan 8.190 nan 0.000 0.442 663 D N 0.980 121.429 120.400 0.083 0.000 2.346 663 D HA 0.463 5.133 4.640 0.050 0.000 0.206 663 D C 0.575 176.866 176.300 -0.015 0.000 1.001 663 D CA 1.567 55.592 54.000 0.041 0.000 0.871 663 D CB 1.411 42.255 40.800 0.073 0.000 0.943 663 D HN 0.979 nan 8.370 nan 0.000 0.518 664 A N 0.031 122.856 122.820 0.010 0.000 2.601 664 A HA 0.542 4.892 4.320 0.050 0.000 0.291 664 A C -1.544 176.059 177.584 0.031 0.000 1.075 664 A CA -0.555 51.474 52.037 -0.013 0.000 0.671 664 A CB 1.539 20.517 19.000 -0.036 0.000 1.277 664 A HN -0.107 nan 8.150 nan 0.000 0.417 665 V N 0.959 120.884 119.914 0.018 0.000 2.709 665 V HA 0.615 4.765 4.120 0.050 0.000 0.308 665 V C -0.745 175.354 176.094 0.010 0.000 1.062 665 V CA -0.225 62.099 62.300 0.040 0.000 0.901 665 V CB 1.579 33.447 31.823 0.074 0.000 1.003 665 V HN 0.707 nan 8.190 nan 0.000 0.425 666 I N 3.917 124.499 120.570 0.020 0.000 2.498 666 I HA 0.562 4.762 4.170 0.050 0.000 0.290 666 I C -0.955 175.188 176.117 0.045 0.000 1.032 666 I CA -0.957 60.379 61.300 0.060 0.000 1.073 666 I CB 2.405 40.469 38.000 0.107 0.000 1.251 666 I HN 0.271 nan 8.210 nan 0.000 0.426 667 V N 7.429 127.386 119.914 0.071 0.000 2.326 667 V HA 0.367 4.517 4.120 0.050 0.000 0.281 667 V C -2.101 174.053 176.094 0.100 0.000 1.015 667 V CA -1.481 60.850 62.300 0.052 0.000 0.823 667 V CB 1.343 33.175 31.823 0.016 0.000 1.009 667 V HN 0.557 nan 8.190 nan 0.000 0.436 668 P HA 0.444 nan 4.420 nan 0.000 0.279 668 P C -0.196 177.129 177.300 0.041 0.000 1.276 668 P CA -0.255 62.867 63.100 0.037 0.000 0.801 668 P CB 1.233 32.943 31.700 0.016 0.000 1.127 669 A N -0.292 122.528 122.820 -0.001 0.000 2.262 669 A HA 0.674 5.024 4.320 0.050 0.000 0.273 669 A C 0.808 178.401 177.584 0.016 0.000 1.202 669 A CA 0.609 52.651 52.037 0.007 0.000 0.811 669 A CB -0.946 18.037 19.000 -0.029 0.000 1.159 669 A HN 0.886 nan 8.150 nan 0.000 0.505 670 G N -0.746 108.062 108.800 0.013 0.000 2.225 670 G HA2 -0.131 3.859 3.960 0.050 0.000 0.203 670 G HA3 -0.131 3.859 3.960 0.050 0.000 0.203 670 G C -0.105 174.807 174.900 0.020 0.000 1.335 670 G CA -0.035 45.073 45.100 0.012 0.000 1.183 670 G HN 1.043 nan 8.290 nan 0.000 0.488 671 N N 1.646 120.364 118.700 0.030 0.000 2.892 671 N HA 0.101 4.871 4.740 0.050 0.000 0.300 671 N C 1.556 177.101 175.510 0.057 0.000 1.211 671 N CA -0.500 52.572 53.050 0.036 0.000 1.158 671 N CB -0.242 38.269 38.487 0.041 0.000 1.455 671 N HN 0.378 nan 8.380 nan 0.000 0.524 672 I N 1.463 122.054 120.570 0.035 0.000 2.454 672 I HA -0.227 3.973 4.170 0.050 0.000 0.254 672 I C 2.410 178.527 176.117 0.000 0.000 1.156 672 I CA 0.709 62.028 61.300 0.032 0.000 1.433 672 I CB -1.479 36.496 38.000 -0.041 0.000 1.082 672 I HN 0.425 nan 8.210 nan 0.000 0.432 673 A N 0.728 123.542 122.820 -0.011 0.000 1.978 673 A HA -0.278 4.072 4.320 0.050 0.000 0.220 673 A C 2.091 179.689 177.584 0.023 0.000 1.170 673 A CA 2.040 54.065 52.037 -0.019 0.000 0.636 673 A CB -0.711 18.280 19.000 -0.015 0.000 0.810 673 A HN 0.438 nan 8.150 nan 0.000 0.448 674 D N 0.504 120.945 120.400 0.068 0.000 2.123 674 D HA -0.169 4.501 4.640 0.050 0.000 0.196 674 D C 1.585 177.964 176.300 0.132 0.000 0.992 674 D CA 1.851 55.919 54.000 0.113 0.000 0.833 674 D CB -0.226 40.677 40.800 0.171 0.000 0.954 674 D HN 0.639 nan 8.370 nan 0.000 0.455 675 I N -3.788 116.881 120.570 0.165 0.000 4.082 675 I HA 0.461 4.661 4.170 0.050 0.000 0.337 675 I C 1.870 178.114 176.117 0.211 0.000 1.352 675 I CA 0.037 61.457 61.300 0.201 0.000 1.097 675 I CB 0.014 38.176 38.000 0.270 0.000 1.048 675 I HN -0.069 nan 8.210 nan 0.000 0.393 676 A N 1.609 124.462 122.820 0.055 0.000 2.024 676 A HA -0.166 4.184 4.320 0.050 0.000 0.220 676 A C 1.399 178.964 177.584 -0.031 0.000 1.164 676 A CA 1.974 53.921 52.037 -0.149 0.000 0.643 676 A CB -0.413 18.428 19.000 -0.263 0.000 0.806 676 A HN 0.538 nan 8.150 nan 0.000 0.451 677 D N -1.040 119.372 120.400 0.020 0.000 2.479 677 D HA 0.050 4.720 4.640 0.050 0.000 0.218 677 D C -0.169 176.157 176.300 0.044 0.000 1.177 677 D CA -0.247 53.767 54.000 0.023 0.000 0.830 677 D CB -0.200 40.602 40.800 0.004 0.000 1.014 677 D HN 0.331 nan 8.370 nan 0.000 0.503 678 N N 1.196 119.936 118.700 0.067 0.000 2.420 678 N HA 0.040 4.810 4.740 0.050 0.000 0.262 678 N C 1.376 176.914 175.510 0.046 0.000 1.144 678 N CA 0.053 53.138 53.050 0.057 0.000 0.952 678 N CB 1.450 39.978 38.487 0.068 0.000 1.081 678 N HN 0.024 nan 8.380 nan 0.000 0.480 679 G N 3.516 112.344 108.800 0.047 0.000 2.446 679 G HA2 -0.280 3.710 3.960 0.050 0.000 0.217 679 G HA3 -0.280 3.710 3.960 0.050 0.000 0.217 679 G C 0.989 175.929 174.900 0.068 0.000 1.168 679 G CA 0.623 45.753 45.100 0.050 0.000 0.771 679 G HN 0.591 nan 8.290 nan 0.000 0.551 680 D N 0.811 121.254 120.400 0.073 0.000 2.117 680 D HA -0.013 4.657 4.640 0.050 0.000 0.197 680 D C 2.800 179.073 176.300 -0.045 0.000 0.987 680 D CA 1.246 55.318 54.000 0.120 0.000 0.829 680 D CB -0.426 40.517 40.800 0.239 0.000 0.961 680 D HN 0.316 nan 8.370 nan 0.000 0.460 681 A N 0.932 123.557 122.820 -0.325 0.000 1.873 681 A HA -0.170 4.180 4.320 0.050 0.000 0.215 681 A C 2.032 179.382 177.584 -0.390 0.000 1.186 681 A CA 1.165 52.760 52.037 -0.737 0.000 0.616 681 A CB -0.465 18.045 19.000 -0.816 0.000 0.823 681 A HN 0.131 nan 8.150 nan 0.000 0.442 682 N N -1.217 117.411 118.700 -0.120 0.000 2.043 682 N HA -0.221 4.549 4.740 0.050 0.000 0.193 682 N C 1.707 177.204 175.510 -0.023 0.000 1.037 682 N CA 1.980 55.025 53.050 -0.008 0.000 0.851 682 N CB -0.585 37.973 38.487 0.119 0.000 1.027 682 N HN 0.670 nan 8.380 nan 0.000 0.422 683 Y N 0.617 120.880 120.300 -0.063 0.000 2.207 683 Y HA -0.301 4.279 4.550 0.050 0.000 0.287 683 Y C 2.408 178.259 175.900 -0.082 0.000 1.156 683 Y CA 1.370 59.432 58.100 -0.063 0.000 1.182 683 Y CB -0.452 37.979 38.460 -0.048 0.000 0.979 683 Y HN 0.052 nan 8.280 nan 0.000 0.521 684 Y N -0.056 120.113 120.300 -0.219 0.000 2.062 684 Y HA -0.372 4.208 4.550 0.050 0.000 0.276 684 Y C 2.167 177.870 175.900 -0.329 0.000 1.189 684 Y CA 2.016 59.956 58.100 -0.266 0.000 1.130 684 Y CB -0.488 37.815 38.460 -0.261 0.000 0.959 684 Y HN 0.117 nan 8.280 nan 0.000 0.499 685 L N -0.703 120.441 121.223 -0.132 0.000 2.109 685 L HA -0.224 4.146 4.340 0.050 0.000 0.207 685 L C 2.297 179.052 176.870 -0.192 0.000 1.086 685 L CA 1.655 56.403 54.840 -0.153 0.000 0.760 685 L CB -1.382 40.555 42.059 -0.203 0.000 0.910 685 L HN 0.426 nan 8.230 nan 0.000 0.437 686 M N -0.675 118.758 119.600 -0.278 0.000 2.117 686 M HA -0.228 4.282 4.480 0.050 0.000 0.262 686 M C 2.168 178.219 176.300 -0.416 0.000 1.065 686 M CA 1.629 56.756 55.300 -0.289 0.000 1.114 686 M CB -0.379 32.058 32.600 -0.271 0.000 1.361 686 M HN 0.248 nan 8.290 nan 0.000 0.408 687 E N 0.596 120.353 120.200 -0.737 0.000 2.047 687 E HA -0.170 4.210 4.350 0.050 0.000 0.191 687 E C 2.011 178.243 176.600 -0.614 0.000 0.987 687 E CA 1.270 57.195 56.400 -0.791 0.000 0.799 687 E CB 0.024 29.208 29.700 -0.861 0.000 0.752 687 E HN 0.460 nan 8.360 nan 0.000 0.449 688 A N 0.244 122.826 122.820 -0.397 0.000 1.933 688 A HA -0.197 4.152 4.320 0.050 0.000 0.218 688 A C 2.019 179.491 177.584 -0.186 0.000 1.175 688 A CA 1.387 53.285 52.037 -0.233 0.000 0.628 688 A CB -0.856 18.067 19.000 -0.129 0.000 0.814 688 A HN 0.552 nan 8.150 nan 0.000 0.444 689 Y N 0.525 120.660 120.300 -0.275 0.000 2.145 689 Y HA -0.205 4.375 4.550 0.050 0.000 0.286 689 Y C 2.387 178.154 175.900 -0.222 0.000 1.145 689 Y CA 2.317 60.288 58.100 -0.215 0.000 1.148 689 Y CB -0.283 38.068 38.460 -0.181 0.000 0.981 689 Y HN 0.308 nan 8.280 nan 0.000 0.507 690 K N -0.594 119.667 120.400 -0.232 0.000 2.074 690 K HA -0.253 4.097 4.320 0.050 0.000 0.209 690 K C 1.266 177.714 176.600 -0.252 0.000 1.048 690 K CA 2.197 58.313 56.287 -0.286 0.000 0.926 690 K CB -0.458 31.814 32.500 -0.381 0.000 0.713 690 K HN 0.593 nan 8.250 nan 0.000 0.444 691 H N 0.115 119.063 119.070 -0.202 0.000 2.547 691 H HA 0.166 4.752 4.556 0.050 0.000 0.274 691 H C -0.029 175.141 175.328 -0.263 0.000 1.024 691 H CA 0.281 56.210 56.048 -0.198 0.000 1.155 691 H CB 0.061 29.706 29.762 -0.195 0.000 1.344 691 H HN 0.134 nan 8.280 nan 0.000 0.598 692 L N -0.159 120.912 121.223 -0.254 0.000 4.140 692 L HA -0.267 4.103 4.340 0.050 0.000 0.406 692 L C -0.343 176.267 176.870 -0.434 0.000 1.175 692 L CA 0.524 55.122 54.840 -0.402 0.000 0.939 692 L CB -1.732 40.067 42.059 -0.434 0.000 2.105 692 L HN 0.291 nan 8.230 nan 0.000 0.803 693 K N 0.841 121.055 120.400 -0.311 0.000 2.174 693 K HA 0.471 4.821 4.320 0.050 0.000 0.275 693 K C -2.123 174.343 176.600 -0.223 0.000 1.015 693 K CA -1.793 54.334 56.287 -0.267 0.000 0.933 693 K CB 0.709 33.108 32.500 -0.169 0.000 1.025 693 K HN -0.219 nan 8.250 nan 0.000 0.463 694 P HA 0.018 nan 4.420 nan 0.000 0.265 694 P C -0.767 176.469 177.300 -0.106 0.000 1.193 694 P CA 0.486 63.487 63.100 -0.165 0.000 0.765 694 P CB 0.420 32.023 31.700 -0.161 0.000 0.823 695 I N 1.780 122.302 120.570 -0.081 0.000 2.545 695 I HA 0.616 4.816 4.170 0.050 0.000 0.292 695 I C -0.341 175.730 176.117 -0.076 0.000 1.040 695 I CA -0.872 60.399 61.300 -0.048 0.000 1.068 695 I CB 2.249 40.249 38.000 0.001 0.000 1.251 695 I HN 0.251 nan 8.210 nan 0.000 0.424 696 A N 7.569 130.350 122.820 -0.065 0.000 2.343 696 A HA 0.884 5.234 4.320 0.050 0.000 0.308 696 A C -1.114 176.558 177.584 0.146 0.000 1.092 696 A CA -0.436 51.545 52.037 -0.093 0.000 0.751 696 A CB 0.991 19.793 19.000 -0.329 0.000 1.203 696 A HN 0.660 nan 8.150 nan 0.000 0.452 697 L N 2.103 123.470 121.223 0.239 0.000 2.356 697 L HA 0.755 5.125 4.340 0.050 0.000 0.277 697 L C 0.226 177.299 176.870 0.339 0.000 0.996 697 L CA -0.584 54.414 54.840 0.263 0.000 0.822 697 L CB 2.031 44.192 42.059 0.171 0.000 1.256 697 L HN 0.773 nan 8.230 nan 0.000 0.413 698 A N 2.195 125.124 122.820 0.182 0.000 2.330 698 A HA 0.864 5.214 4.320 0.050 0.000 0.327 698 A C 0.567 178.140 177.584 -0.018 0.000 1.155 698 A CA 0.236 52.251 52.037 -0.036 0.000 0.803 698 A CB 1.252 20.043 19.000 -0.349 0.000 1.208 698 A HN 0.992 nan 8.150 nan 0.000 0.477 699 G N 1.793 110.572 108.800 -0.034 0.000 2.611 699 G HA2 -0.330 3.660 3.960 0.050 0.000 0.301 699 G HA3 -0.330 3.660 3.960 0.050 0.000 0.301 699 G C 0.564 175.465 174.900 0.001 0.000 1.233 699 G CA 0.723 45.810 45.100 -0.023 0.000 0.993 699 G HN 0.719 nan 8.290 nan 0.000 0.553 700 D N 1.193 121.590 120.400 -0.005 0.000 2.263 700 D HA 0.063 4.733 4.640 0.050 0.000 0.208 700 D C 2.690 178.989 176.300 -0.001 0.000 0.971 700 D CA 1.559 55.550 54.000 -0.015 0.000 0.867 700 D CB -0.628 40.155 40.800 -0.027 0.000 0.929 700 D HN 0.793 nan 8.370 nan 0.000 0.492 701 A N 1.112 123.969 122.820 0.063 0.000 2.139 701 A HA -0.224 4.125 4.320 0.050 0.000 0.221 701 A C 2.073 179.761 177.584 0.174 0.000 1.159 701 A CA 0.976 53.121 52.037 0.181 0.000 0.662 701 A CB -0.568 18.556 19.000 0.207 0.000 0.796 701 A HN 0.162 nan 8.150 nan 0.000 0.463 702 R N -0.390 120.162 120.500 0.087 0.000 2.249 702 R HA -0.100 4.270 4.340 0.050 0.000 0.230 702 R C 1.810 178.116 176.300 0.010 0.000 1.121 702 R CA 1.238 57.375 56.100 0.062 0.000 0.997 702 R CB -0.167 30.157 30.300 0.041 0.000 0.867 702 R HN 0.522 nan 8.270 nan 0.000 0.465 703 K N -0.258 120.104 120.400 -0.064 0.000 2.211 703 K HA -0.106 4.244 4.320 0.050 0.000 0.203 703 K C 1.395 177.883 176.600 -0.188 0.000 1.050 703 K CA 1.089 57.281 56.287 -0.159 0.000 0.945 703 K CB -0.052 32.290 32.500 -0.263 0.000 0.732 703 K HN 0.190 nan 8.250 nan 0.000 0.451 704 F N 1.577 121.503 119.950 -0.040 0.000 2.583 704 F HA -0.123 4.434 4.527 0.050 0.000 0.297 704 F C 2.036 177.787 175.800 -0.081 0.000 1.131 704 F CA 0.820 58.785 58.000 -0.060 0.000 1.467 704 F CB -0.034 38.930 39.000 -0.060 0.000 1.097 704 F HN -0.042 nan 8.300 nan 0.000 0.586 705 K N 0.251 120.691 120.400 0.068 0.000 2.152 705 K HA -0.185 4.165 4.320 0.050 0.000 0.206 705 K C 2.366 178.937 176.600 -0.049 0.000 1.048 705 K CA 1.018 57.299 56.287 -0.010 0.000 0.933 705 K CB -0.330 32.161 32.500 -0.014 0.000 0.721 705 K HN 0.260 nan 8.250 nan 0.000 0.447 706 A N 0.433 123.230 122.820 -0.039 0.000 1.908 706 A HA -0.217 4.133 4.320 0.050 0.000 0.218 706 A C 2.225 179.781 177.584 -0.048 0.000 1.181 706 A CA 2.301 54.309 52.037 -0.048 0.000 0.627 706 A CB -0.988 17.980 19.000 -0.053 0.000 0.818 706 A HN 0.320 nan 8.150 nan 0.000 0.445 707 T N -0.172 114.372 114.554 -0.017 0.000 2.951 707 T HA 0.005 4.385 4.350 0.050 0.000 0.268 707 T C 1.294 175.940 174.700 -0.091 0.000 1.073 707 T CA 1.352 63.444 62.100 -0.013 0.000 1.134 707 T CB -0.544 68.367 68.868 0.073 0.000 0.884 707 T HN 0.599 nan 8.240 nan 0.000 0.479 708 I N -2.371 118.091 120.570 -0.180 0.000 3.941 708 I HA 0.479 4.679 4.170 0.050 0.000 0.335 708 I C 0.143 176.032 176.117 -0.381 0.000 1.402 708 I CA -0.543 60.524 61.300 -0.388 0.000 1.112 708 I CB -0.080 37.491 38.000 -0.715 0.000 1.043 708 I HN -0.074 nan 8.210 nan 0.000 0.395 709 K N 1.974 122.256 120.400 -0.197 0.000 3.150 709 K HA -0.090 4.260 4.320 0.050 0.000 0.267 709 K C -0.493 176.033 176.600 -0.124 0.000 1.028 709 K CA 0.419 56.629 56.287 -0.128 0.000 0.753 709 K CB -1.129 31.318 32.500 -0.088 0.000 1.288 709 K HN 0.396 nan 8.250 nan 0.000 0.473 710 I N 0.743 121.236 120.570 -0.128 0.000 2.365 710 I HA 0.336 4.536 4.170 0.050 0.000 0.291 710 I C 1.338 177.429 176.117 -0.044 0.000 1.004 710 I CA -0.666 60.583 61.300 -0.085 0.000 1.311 710 I CB 0.797 38.746 38.000 -0.085 0.000 1.401 710 I HN 0.274 nan 8.210 nan 0.000 0.491 711 A N 4.884 127.691 122.820 -0.022 0.000 2.366 711 A HA 0.148 4.498 4.320 0.050 0.000 0.249 711 A C 0.936 178.514 177.584 -0.009 0.000 1.084 711 A CA -0.206 51.824 52.037 -0.013 0.000 0.794 711 A CB 0.184 19.182 19.000 -0.004 0.000 1.034 711 A HN 0.748 nan 8.150 nan 0.000 0.491 712 D N 0.015 120.411 120.400 -0.008 0.000 2.144 712 D HA -0.152 4.518 4.640 0.050 0.000 0.200 712 D C 2.079 178.379 176.300 0.000 0.000 0.978 712 D CA 1.734 55.731 54.000 -0.005 0.000 0.833 712 D CB -0.138 40.658 40.800 -0.006 0.000 0.961 712 D HN 0.793 nan 8.370 nan 0.000 0.470 713 Q N 0.771 120.572 119.800 0.001 0.000 2.500 713 Q HA 0.062 4.432 4.340 0.050 0.000 0.213 713 Q C 0.852 176.855 176.000 0.006 0.000 0.974 713 Q CA 1.035 56.840 55.803 0.004 0.000 0.918 713 Q CB -0.088 28.652 28.738 0.004 0.000 0.980 713 Q HN 0.112 nan 8.270 nan 0.000 0.505 714 G N 1.385 110.187 108.800 0.004 0.000 2.728 714 G HA2 -0.228 3.762 3.960 0.050 0.000 0.294 714 G HA3 -0.228 3.762 3.960 0.050 0.000 0.294 714 G C -1.150 173.754 174.900 0.007 0.000 1.342 714 G CA -0.217 44.887 45.100 0.006 0.000 0.866 714 G HN 0.647 nan 8.290 nan 0.000 0.534 715 E N -0.838 119.368 120.200 0.010 0.000 2.372 715 E HA 0.561 4.940 4.350 0.050 0.000 0.279 715 E C -0.698 175.902 176.600 -0.001 0.000 0.946 715 E CA -1.107 55.300 56.400 0.012 0.000 0.769 715 E CB 1.566 31.287 29.700 0.035 0.000 1.230 715 E HN 0.423 nan 8.360 nan 0.000 0.442 716 E N 1.052 121.243 120.200 -0.015 0.000 2.652 716 E HA 0.133 4.513 4.350 0.050 0.000 0.255 716 E C 0.922 177.486 176.600 -0.060 0.000 0.952 716 E CA 1.790 58.166 56.400 -0.039 0.000 0.947 716 E CB 0.787 30.462 29.700 -0.043 0.000 0.912 716 E HN 0.958 nan 8.360 nan 0.000 0.489 717 G N 2.897 111.648 108.800 -0.083 0.000 2.195 717 G HA2 -0.200 3.790 3.960 0.050 0.000 0.224 717 G HA3 -0.200 3.790 3.960 0.050 0.000 0.224 717 G C 0.145 175.000 174.900 -0.075 0.000 0.990 717 G CA -0.280 44.753 45.100 -0.112 0.000 0.639 717 G HN 0.414 nan 8.290 nan 0.000 0.514 718 I N 1.996 122.541 120.570 -0.041 0.000 2.411 718 I HA 0.452 4.652 4.170 0.050 0.000 0.284 718 I C 0.369 176.449 176.117 -0.063 0.000 1.012 718 I CA -1.010 60.273 61.300 -0.028 0.000 1.119 718 I CB 1.412 39.424 38.000 0.019 0.000 1.261 718 I HN -0.113 nan 8.210 nan 0.000 0.448 719 V N 7.272 127.110 119.914 -0.128 0.000 2.498 719 V HA 0.392 4.542 4.120 0.050 0.000 0.279 719 V C 0.260 176.301 176.094 -0.088 0.000 1.048 719 V CA -0.346 61.831 62.300 -0.205 0.000 0.967 719 V CB 1.273 32.800 31.823 -0.493 0.000 0.988 719 V HN 0.883 nan 8.190 nan 0.000 0.473 720 E N 4.177 124.407 120.200 0.050 0.000 2.372 720 E HA 0.874 5.254 4.350 0.050 0.000 0.279 720 E C -1.056 175.700 176.600 0.259 0.000 0.946 720 E CA -0.966 55.561 56.400 0.212 0.000 0.769 720 E CB 2.544 32.311 29.700 0.112 0.000 1.230 720 E HN 0.861 nan 8.360 nan 0.000 0.442 721 A N 1.662 124.638 122.820 0.261 0.000 2.544 721 A HA 0.304 4.654 4.320 0.050 0.000 0.291 721 A C -0.581 177.018 177.584 0.025 0.000 1.055 721 A CA -0.533 51.590 52.037 0.143 0.000 0.651 721 A CB 0.946 20.075 19.000 0.215 0.000 1.296 721 A HN 0.624 nan 8.150 nan 0.000 0.431 722 D N 0.530 120.924 120.400 -0.011 0.000 2.218 722 D HA 0.032 4.702 4.640 0.050 0.000 0.204 722 D C 0.995 177.233 176.300 -0.104 0.000 0.976 722 D CA 2.241 56.215 54.000 -0.043 0.000 0.853 722 D CB 0.054 40.834 40.800 -0.032 0.000 0.939 722 D HN 0.849 nan 8.370 nan 0.000 0.481 723 S N -1.677 113.918 115.700 -0.177 0.000 2.579 723 S HA 0.621 5.121 4.470 0.050 0.000 0.272 723 S C -0.207 174.062 174.600 -0.552 0.000 1.141 723 S CA -0.595 57.442 58.200 -0.271 0.000 0.843 723 S CB 2.092 65.194 63.200 -0.165 0.000 1.122 723 S HN -0.044 nan 8.310 nan 0.000 0.468 724 A N 0.799 123.231 122.820 -0.646 0.000 2.416 724 A HA 0.478 4.828 4.320 0.050 0.000 0.252 724 A C 0.194 177.582 177.584 -0.327 0.000 1.353 724 A CA 0.221 51.698 52.037 -0.934 0.000 0.996 724 A CB -1.102 17.521 19.000 -0.629 0.000 0.961 724 A HN 0.775 nan 8.150 nan 0.000 0.523 725 D N -2.559 117.730 120.400 -0.185 0.000 4.259 725 D HA 0.493 5.163 4.640 0.050 0.000 0.281 725 D C 1.337 177.658 176.300 0.035 0.000 1.637 725 D CA 0.982 54.976 54.000 -0.010 0.000 0.993 725 D CB -0.266 40.553 40.800 0.030 0.000 1.417 725 D HN 0.536 nan 8.370 nan 0.000 0.663 726 G N 0.399 109.219 108.800 0.033 0.000 2.629 726 G HA2 -0.297 3.693 3.960 0.050 0.000 0.313 726 G HA3 -0.297 3.693 3.960 0.050 0.000 0.313 726 G C 0.712 175.662 174.900 0.082 0.000 1.217 726 G CA 1.762 46.891 45.100 0.048 0.000 0.994 726 G HN 1.050 nan 8.290 nan 0.000 0.549 727 S N -0.053 115.706 115.700 0.099 0.000 2.582 727 S HA 0.467 4.967 4.470 0.050 0.000 0.234 727 S C 1.557 176.233 174.600 0.128 0.000 0.961 727 S CA 0.860 59.114 58.200 0.090 0.000 0.953 727 S CB 0.174 63.407 63.200 0.054 0.000 0.800 727 S HN 0.964 nan 8.310 nan 0.000 0.471 728 F N 2.494 122.442 119.950 -0.003 0.000 2.102 728 F HA 0.016 4.573 4.527 0.050 0.000 0.298 728 F C 2.119 177.916 175.800 -0.005 0.000 1.105 728 F CA 1.513 59.510 58.000 -0.004 0.000 1.239 728 F CB -0.170 38.829 39.000 -0.002 0.000 0.991 728 F HN 0.170 nan 8.300 nan 0.000 0.474 729 M N 0.091 119.838 119.600 0.245 0.000 2.236 729 M HA -0.132 4.378 4.480 0.050 0.000 0.266 729 M C 1.743 178.045 176.300 0.004 0.000 1.070 729 M CA 1.129 56.489 55.300 0.099 0.000 1.137 729 M CB -1.265 31.429 32.600 0.157 0.000 1.378 729 M HN 0.132 nan 8.290 nan 0.000 0.426 730 D N 0.800 121.213 120.400 0.022 0.000 2.123 730 D HA -0.175 4.495 4.640 0.050 0.000 0.196 730 D C 1.905 178.180 176.300 -0.041 0.000 0.992 730 D CA 1.252 55.249 54.000 -0.005 0.000 0.833 730 D CB -0.182 40.623 40.800 0.008 0.000 0.954 730 D HN 0.498 nan 8.370 nan 0.000 0.455 731 E N 0.381 120.540 120.200 -0.068 0.000 2.051 731 E HA -0.129 4.251 4.350 0.050 0.000 0.192 731 E C 2.198 178.711 176.600 -0.145 0.000 0.991 731 E CA 0.267 56.603 56.400 -0.107 0.000 0.799 731 E CB -0.066 29.552 29.700 -0.136 0.000 0.748 731 E HN 0.186 nan 8.360 nan 0.000 0.449 732 L N 0.983 122.084 121.223 -0.204 0.000 2.056 732 L HA -0.146 4.224 4.340 0.050 0.000 0.207 732 L C 2.117 178.915 176.870 -0.120 0.000 1.078 732 L CA 1.131 55.848 54.840 -0.204 0.000 0.749 732 L CB -0.277 41.617 42.059 -0.275 0.000 0.901 732 L HN 0.212 nan 8.230 nan 0.000 0.433 733 L N -0.053 121.120 121.223 -0.083 0.000 2.083 733 L HA -0.159 4.211 4.340 0.050 0.000 0.209 733 L C 2.628 179.472 176.870 -0.044 0.000 1.083 733 L CA 1.657 56.467 54.840 -0.050 0.000 0.752 733 L CB -1.811 40.231 42.059 -0.029 0.000 0.899 733 L HN 0.251 nan 8.230 nan 0.000 0.433 734 T N 0.021 114.546 114.554 -0.048 0.000 2.720 734 T HA -0.172 4.208 4.350 0.050 0.000 0.268 734 T C 2.108 176.775 174.700 -0.054 0.000 1.037 734 T CA 1.129 63.205 62.100 -0.040 0.000 1.144 734 T CB -0.182 68.662 68.868 -0.039 0.000 0.864 734 T HN 0.207 nan 8.240 nan 0.000 0.444 735 L N 0.174 121.345 121.223 -0.086 0.000 2.093 735 L HA -0.045 4.325 4.340 0.050 0.000 0.208 735 L C 2.694 179.497 176.870 -0.112 0.000 1.085 735 L CA 1.183 55.953 54.840 -0.117 0.000 0.755 735 L CB -0.535 41.434 42.059 -0.150 0.000 0.904 735 L HN 0.303 nan 8.230 nan 0.000 0.435 736 M N -0.590 118.960 119.600 -0.082 0.000 2.159 736 M HA -0.186 4.324 4.480 0.050 0.000 0.263 736 M C 2.485 178.787 176.300 0.003 0.000 1.063 736 M CA 1.783 57.054 55.300 -0.047 0.000 1.110 736 M CB -0.544 32.039 32.600 -0.029 0.000 1.374 736 M HN 0.318 nan 8.290 nan 0.000 0.411 737 A N 0.259 123.081 122.820 0.004 0.000 2.019 737 A HA 0.019 4.369 4.320 0.050 0.000 0.219 737 A C 2.115 179.743 177.584 0.073 0.000 1.164 737 A CA 1.750 53.811 52.037 0.039 0.000 0.644 737 A CB -0.641 18.375 19.000 0.026 0.000 0.805 737 A HN 0.518 nan 8.150 nan 0.000 0.449 738 A N -2.776 120.066 122.820 0.036 0.000 2.307 738 A HA 0.386 4.736 4.320 0.050 0.000 0.218 738 A C 0.886 178.503 177.584 0.054 0.000 1.228 738 A CA 1.147 53.220 52.037 0.059 0.000 0.857 738 A CB -0.432 18.558 19.000 -0.017 0.000 0.897 738 A HN 0.929 nan 8.150 nan 0.000 0.495 739 H N -1.124 117.900 119.070 -0.077 0.000 4.856 739 H HA -0.188 4.398 4.556 0.050 0.000 0.059 739 H C 0.080 175.201 175.328 -0.344 0.000 0.596 739 H CA 2.412 58.400 56.048 -0.100 0.000 0.946 739 H CB -0.579 29.243 29.762 0.100 0.000 0.453 739 H HN 0.459 nan 8.280 nan 0.000 0.801 740 R N -0.412 119.518 120.500 -0.950 0.000 2.836 740 R HA 0.616 4.986 4.340 0.050 0.000 0.269 740 R C -0.721 174.710 176.300 -1.448 0.000 1.010 740 R CA -0.275 55.022 56.100 -1.339 0.000 0.930 740 R CB 1.783 30.942 30.300 -1.900 0.000 1.218 740 R HN 0.071 nan 8.270 nan 0.000 0.473 741 V N 2.262 121.549 119.914 -1.044 0.000 2.221 741 V HA 0.119 4.269 4.120 0.050 0.000 0.258 741 V C 0.631 176.340 176.094 -0.643 0.000 1.179 741 V CA -0.467 61.413 62.300 -0.700 0.000 1.022 741 V CB -0.213 31.345 31.823 -0.441 0.000 1.228 741 V HN 0.719 nan 8.190 nan 0.000 0.487 742 W N 1.559 122.562 121.300 -0.496 0.000 2.392 742 W HA -0.180 4.510 4.660 0.049 0.000 0.279 742 W C 2.550 178.840 176.519 -0.382 0.000 1.225 742 W CA 0.904 57.859 57.345 -0.650 0.000 1.233 742 W CB -0.433 28.177 29.460 -1.417 0.000 1.122 742 W HN 0.652 nan 8.180 nan 0.000 0.561 743 S N 0.820 116.455 115.700 -0.109 0.000 2.469 743 S HA -0.191 4.309 4.470 0.050 0.000 0.238 743 S C 1.769 176.327 174.600 -0.070 0.000 0.998 743 S CA 1.067 59.232 58.200 -0.058 0.000 0.957 743 S CB -0.464 62.703 63.200 -0.056 0.000 0.764 743 S HN 0.420 nan 8.310 nan 0.000 0.514 744 R N 0.744 121.159 120.500 -0.140 0.000 2.189 744 R HA 0.159 4.529 4.340 0.050 0.000 0.218 744 R C 1.955 178.187 176.300 -0.113 0.000 1.074 744 R CA 0.762 56.761 56.100 -0.169 0.000 0.991 744 R CB -0.447 29.645 30.300 -0.347 0.000 0.883 744 R HN 0.486 nan 8.270 nan 0.000 0.457 745 I N 1.983 122.520 120.570 -0.054 0.000 2.113 745 I HA -0.288 3.912 4.170 0.050 0.000 0.242 745 I C -0.741 175.396 176.117 0.033 0.000 1.057 745 I CA 1.628 62.940 61.300 0.020 0.000 1.314 745 I CB -1.038 37.019 38.000 0.094 0.000 1.022 745 I HN 0.209 nan 8.210 nan 0.000 0.408 746 P HA -0.201 nan 4.420 nan 0.000 0.217 746 P C 1.117 178.444 177.300 0.045 0.000 1.148 746 P CA 1.708 64.835 63.100 0.044 0.000 0.828 746 P CB -0.161 31.563 31.700 0.040 0.000 0.783 747 K N -0.431 119.992 120.400 0.039 0.000 2.305 747 K HA 0.045 4.395 4.320 0.050 0.000 0.199 747 K C 2.200 178.860 176.600 0.100 0.000 1.047 747 K CA 0.717 57.050 56.287 0.077 0.000 0.976 747 K CB -0.475 32.099 32.500 0.122 0.000 0.765 747 K HN 0.289 nan 8.250 nan 0.000 0.474 748 I N -0.810 119.787 120.570 0.045 0.000 2.394 748 I HA -0.162 4.037 4.170 0.050 0.000 0.251 748 I C 1.032 177.190 176.117 0.070 0.000 1.136 748 I CA 1.413 62.742 61.300 0.050 0.000 1.425 748 I CB -0.186 37.794 38.000 -0.033 0.000 1.079 748 I HN -0.116 nan 8.210 nan 0.000 0.425 749 D N 1.734 122.175 120.400 0.068 0.000 2.263 749 D HA -0.134 4.536 4.640 0.050 0.000 0.208 749 D C 1.848 178.186 176.300 0.064 0.000 0.971 749 D CA 1.127 55.169 54.000 0.069 0.000 0.867 749 D CB -0.084 40.758 40.800 0.070 0.000 0.929 749 D HN 0.361 nan 8.370 nan 0.000 0.492 750 K N -0.003 120.436 120.400 0.065 0.000 2.426 750 K HA 0.193 4.543 4.320 0.050 0.000 0.193 750 K C 0.665 177.296 176.600 0.053 0.000 1.028 750 K CA -0.110 56.210 56.287 0.055 0.000 1.047 750 K CB 0.460 32.990 32.500 0.051 0.000 0.821 750 K HN 0.187 nan 8.250 nan 0.000 0.513 751 I N 2.108 122.717 120.570 0.065 0.000 2.331 751 I HA 0.249 4.448 4.170 0.050 0.000 0.292 751 I C -2.319 173.829 176.117 0.053 0.000 0.998 751 I CA -2.648 58.685 61.300 0.056 0.000 1.267 751 I CB 1.206 39.255 38.000 0.080 0.000 1.386 751 I HN -0.046 nan 8.210 nan 0.000 0.476 752 P HA 0.325 nan 4.420 nan 0.000 0.252 752 P C -0.917 176.445 177.300 0.103 0.000 1.727 752 P CA 0.002 63.139 63.100 0.063 0.000 1.134 752 P CB 0.382 32.112 31.700 0.051 0.000 1.876 753 A N 0.000 122.883 122.820 0.105 0.000 2.254 753 A HA 0.000 4.350 4.320 0.050 0.000 0.244 753 A CA 0.000 52.151 52.037 0.191 0.000 0.836 753 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486