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 3pq3_1_D 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 0.000 174.564 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 29 L N 0.899 122.078 121.223 -0.073 0.000 2.477 29 L HA 0.362 4.717 4.340 0.025 0.000 0.220 29 L C 1.409 178.200 176.870 -0.132 0.000 1.106 29 L CA 0.249 55.041 54.840 -0.080 0.000 0.851 29 L CB -0.255 41.768 42.059 -0.060 0.000 0.994 29 L HN 0.697 nan 8.230 nan 0.000 0.462 30 A N 1.643 124.331 122.820 -0.220 0.000 2.445 30 A HA 0.353 4.688 4.320 0.025 0.000 0.242 30 A C -1.987 175.436 177.584 -0.269 0.000 1.075 30 A CA -0.906 50.872 52.037 -0.433 0.000 0.777 30 A CB -0.587 17.879 19.000 -0.890 0.000 1.013 30 A HN -0.008 nan 8.150 nan 0.000 0.493 31 P HA 0.099 nan 4.420 nan 0.000 0.268 31 P C 0.099 177.378 177.300 -0.035 0.000 1.205 31 P CA 0.062 63.125 63.100 -0.062 0.000 0.771 31 P CB 0.774 32.480 31.700 0.010 0.000 0.858 32 E N 1.093 121.283 120.200 -0.016 0.000 2.160 32 E HA -0.219 4.146 4.350 0.025 0.000 0.195 32 E C 1.197 177.816 176.600 0.031 0.000 0.991 32 E CA 1.656 58.058 56.400 0.002 0.000 0.810 32 E CB -0.115 29.584 29.700 -0.001 0.000 0.742 32 E HN 0.579 nan 8.360 nan 0.000 0.466 33 D N -1.424 119.001 120.400 0.040 0.000 2.363 33 D HA -0.007 4.648 4.640 0.025 0.000 0.220 33 D C 1.219 177.566 176.300 0.078 0.000 0.994 33 D CA 0.839 54.868 54.000 0.049 0.000 0.890 33 D CB -0.078 40.744 40.800 0.036 0.000 0.906 33 D HN 0.195 nan 8.370 nan 0.000 0.530 34 G N 0.183 109.072 108.800 0.148 0.000 2.136 34 G HA2 -0.336 3.639 3.960 0.025 0.000 0.242 34 G HA3 -0.336 3.639 3.960 0.025 0.000 0.242 34 G C 1.002 175.989 174.900 0.146 0.000 0.989 34 G CA 0.795 46.025 45.100 0.217 0.000 0.682 34 G HN 0.708 nan 8.290 nan 0.000 0.522 35 S N 0.424 116.222 115.700 0.164 0.000 2.607 35 S HA -0.026 4.459 4.470 0.025 0.000 0.224 35 S C 1.975 176.627 174.600 0.088 0.000 0.969 35 S CA 1.131 59.380 58.200 0.082 0.000 0.927 35 S CB -0.532 62.708 63.200 0.066 0.000 0.772 35 S HN 0.958 nan 8.310 nan 0.000 0.533 36 H N 1.211 120.288 119.070 0.011 0.000 2.462 36 H HA 0.188 4.759 4.556 0.025 0.000 0.292 36 H C 0.908 176.248 175.328 0.019 0.000 1.049 36 H CA 0.687 56.743 56.048 0.013 0.000 1.334 36 H CB -0.359 29.410 29.762 0.011 0.000 1.404 36 H HN 0.381 nan 8.280 nan 0.000 0.544 37 R N 2.705 122.901 120.500 -0.507 0.000 2.255 37 R HA 0.346 4.701 4.340 0.025 0.000 0.326 37 R C -2.643 173.566 176.300 -0.151 0.000 0.986 37 R CA -2.261 53.613 56.100 -0.377 0.000 0.847 37 R CB 0.799 30.765 30.300 -0.558 0.000 1.111 37 R HN 0.085 nan 8.270 nan 0.000 0.452 38 P HA 0.160 nan 4.420 nan 0.000 0.271 38 P C -0.898 176.394 177.300 -0.014 0.000 1.216 38 P CA -0.395 62.695 63.100 -0.017 0.000 0.776 38 P CB 1.012 32.726 31.700 0.025 0.000 0.881 39 A N 2.708 125.526 122.820 -0.004 0.000 2.540 39 A HA 0.345 4.680 4.320 0.025 0.000 0.239 39 A C 0.954 178.548 177.584 0.017 0.000 1.061 39 A CA 0.186 52.225 52.037 0.003 0.000 0.758 39 A CB -0.434 18.571 19.000 0.008 0.000 0.991 39 A HN 0.579 nan 8.150 nan 0.000 0.502 40 A N 3.026 125.856 122.820 0.016 0.000 3.118 40 A HA 0.498 4.833 4.320 0.025 0.000 0.256 40 A C 0.354 177.957 177.584 0.031 0.000 1.667 40 A CA 0.200 52.253 52.037 0.027 0.000 1.338 40 A CB -0.875 18.138 19.000 0.022 0.000 1.127 40 A HN 0.909 nan 8.150 nan 0.000 0.634 41 E N -0.441 119.780 120.200 0.034 0.000 2.412 41 E HA 0.538 4.903 4.350 0.025 0.000 0.279 41 E C -3.296 173.328 176.600 0.039 0.000 0.984 41 E CA -2.442 53.979 56.400 0.036 0.000 0.788 41 E CB 1.058 30.774 29.700 0.026 0.000 1.277 41 E HN 0.067 nan 8.360 nan 0.000 0.455 42 P HA 0.107 nan 4.420 nan 0.000 0.268 42 P C -0.730 176.581 177.300 0.018 0.000 1.204 42 P CA 0.145 63.262 63.100 0.028 0.000 0.768 42 P CB 0.660 32.363 31.700 0.006 0.000 0.842 43 T N 0.277 114.840 114.554 0.014 0.000 2.933 43 T HA 0.600 4.965 4.350 0.025 0.000 0.305 43 T C -2.988 171.697 174.700 -0.025 0.000 1.092 43 T CA -2.403 59.701 62.100 0.007 0.000 1.008 43 T CB 1.774 70.650 68.868 0.014 0.000 1.102 43 T HN 0.106 nan 8.240 nan 0.000 0.469 44 P HA 0.383 nan 4.420 nan 0.000 0.274 44 P C -2.775 174.400 177.300 -0.208 0.000 1.256 44 P CA -1.627 61.361 63.100 -0.186 0.000 0.795 44 P CB -0.899 30.761 31.700 -0.066 0.000 1.038 45 P HA 0.050 nan 4.420 nan 0.000 0.265 45 P C 1.085 178.334 177.300 -0.084 0.000 1.193 45 P CA 1.436 64.429 63.100 -0.178 0.000 0.765 45 P CB -0.247 31.327 31.700 -0.210 0.000 0.823 46 G N 2.669 111.452 108.800 -0.029 0.000 2.267 46 G HA2 -0.370 3.605 3.960 0.025 0.000 0.257 46 G HA3 -0.370 3.605 3.960 0.025 0.000 0.257 46 G C 1.196 176.095 174.900 -0.002 0.000 0.998 46 G CA 0.468 45.564 45.100 -0.006 0.000 0.620 46 G HN 0.675 nan 8.290 nan 0.000 0.529 47 A N -0.869 121.946 122.820 -0.008 0.000 2.014 47 A HA 0.395 4.730 4.320 0.025 0.000 0.218 47 A C 1.321 178.910 177.584 0.008 0.000 1.163 47 A CA 2.049 54.087 52.037 0.001 0.000 0.652 47 A CB -0.011 18.989 19.000 0.000 0.000 0.808 47 A HN 0.566 nan 8.150 nan 0.000 0.449 48 Q N -0.949 118.860 119.800 0.014 0.000 2.456 48 Q HA 0.421 4.776 4.340 0.025 0.000 0.284 48 Q C -2.961 173.055 176.000 0.027 0.000 1.061 48 Q CA -2.071 53.744 55.803 0.020 0.000 0.799 48 Q CB 1.174 29.927 28.738 0.025 0.000 1.445 48 Q HN 0.081 nan 8.270 nan 0.000 0.411 49 P HA 0.019 nan 4.420 nan 0.000 0.269 49 P C -0.213 177.120 177.300 0.054 0.000 1.215 49 P CA 0.023 63.139 63.100 0.027 0.000 0.780 49 P CB 0.204 31.916 31.700 0.021 0.000 0.898 50 T N -1.152 113.435 114.554 0.054 0.000 2.868 50 T HA 0.619 4.984 4.350 0.025 0.000 0.292 50 T C -0.030 174.757 174.700 0.146 0.000 1.028 50 T CA -0.496 61.685 62.100 0.136 0.000 1.059 50 T CB 0.686 69.586 68.868 0.053 0.000 0.991 50 T HN 0.602 nan 8.240 nan 0.000 0.531 51 A N 1.891 124.895 122.820 0.307 0.000 2.594 51 A HA 0.803 5.138 4.320 0.025 0.000 0.291 51 A C -3.020 174.834 177.584 0.450 0.000 1.105 51 A CA -2.109 50.087 52.037 0.265 0.000 0.694 51 A CB 0.639 19.744 19.000 0.176 0.000 1.291 51 A HN 0.662 nan 8.150 nan 0.000 0.410 52 P HA 0.128 nan 4.420 nan 0.000 0.265 52 P C 1.205 178.658 177.300 0.256 0.000 1.187 52 P CA 0.893 64.213 63.100 0.368 0.000 0.766 52 P CB 0.576 32.412 31.700 0.226 0.000 0.820 53 G N 2.175 111.087 108.800 0.186 0.000 2.469 53 G HA2 -0.290 3.685 3.960 0.025 0.000 0.220 53 G HA3 -0.290 3.685 3.960 0.025 0.000 0.220 53 G C 1.494 176.415 174.900 0.034 0.000 1.136 53 G CA 1.132 46.254 45.100 0.036 0.000 0.759 53 G HN 0.591 nan 8.290 nan 0.000 0.562 54 S N -0.142 115.584 115.700 0.044 0.000 2.489 54 S HA 0.186 4.671 4.470 0.025 0.000 0.228 54 S C 2.171 176.791 174.600 0.035 0.000 0.995 54 S CA 0.537 58.747 58.200 0.017 0.000 0.934 54 S CB -0.114 63.089 63.200 0.006 0.000 0.771 54 S HN 0.309 nan 8.310 nan 0.000 0.522 55 L N -0.052 121.209 121.223 0.062 0.000 2.298 55 L HA 0.270 4.625 4.340 0.025 0.000 0.209 55 L C 2.635 179.540 176.870 0.058 0.000 1.084 55 L CA 0.796 55.672 54.840 0.060 0.000 0.816 55 L CB -0.306 41.798 42.059 0.074 0.000 0.967 55 L HN 0.254 nan 8.230 nan 0.000 0.460 56 K N 1.426 121.872 120.400 0.076 0.000 2.116 56 K HA 0.044 4.379 4.320 0.025 0.000 0.203 56 K C 0.722 177.354 176.600 0.052 0.000 1.052 56 K CA 1.272 57.604 56.287 0.074 0.000 0.952 56 K CB 0.162 32.725 32.500 0.104 0.000 0.729 56 K HN 0.134 nan 8.250 nan 0.000 0.446 57 A N 0.708 123.551 122.820 0.038 0.000 3.410 57 A HA 0.351 4.686 4.320 0.025 0.000 0.276 57 A C -2.214 175.376 177.584 0.011 0.000 0.995 57 A CA -0.956 51.100 52.037 0.032 0.000 0.934 57 A CB 0.577 19.601 19.000 0.040 0.000 1.191 57 A HN 0.137 nan 8.150 nan 0.000 0.511 58 P HA -0.123 nan 4.420 nan 0.000 0.220 58 P C 0.176 177.469 177.300 -0.011 0.000 1.148 58 P CA 1.232 64.332 63.100 -0.001 0.000 0.803 58 P CB 0.290 31.994 31.700 0.007 0.000 0.782 59 D N -1.059 119.339 120.400 -0.004 0.000 2.340 59 D HA 0.014 4.669 4.640 0.025 0.000 0.220 59 D C 0.272 176.559 176.300 -0.022 0.000 1.039 59 D CA 0.585 54.579 54.000 -0.011 0.000 0.866 59 D CB -0.434 40.367 40.800 0.001 0.000 0.913 59 D HN 0.116 nan 8.370 nan 0.000 0.523 60 T N 2.704 117.242 114.554 -0.027 0.000 2.729 60 T HA 0.322 4.687 4.350 0.025 0.000 0.296 60 T C 0.388 175.042 174.700 -0.077 0.000 0.928 60 T CA -0.468 61.601 62.100 -0.051 0.000 1.045 60 T CB 1.027 69.863 68.868 -0.053 0.000 0.902 60 T HN -0.146 nan 8.240 nan 0.000 0.500 61 R N 3.097 123.543 120.500 -0.089 0.000 2.837 61 R HA 0.666 5.021 4.340 0.025 0.000 0.271 61 R C -0.462 175.775 176.300 -0.105 0.000 0.993 61 R CA -1.072 54.969 56.100 -0.097 0.000 0.931 61 R CB 1.630 31.882 30.300 -0.081 0.000 1.206 61 R HN 0.830 nan 8.270 nan 0.000 0.474 62 N N -2.242 116.399 118.700 -0.098 0.000 3.020 62 N HA 0.072 4.827 4.740 0.025 0.000 0.248 62 N C 0.257 175.721 175.510 -0.076 0.000 1.480 62 N CA -0.806 52.200 53.050 -0.074 0.000 0.874 62 N CB 0.828 39.302 38.487 -0.021 0.000 1.433 62 N HN 0.549 nan 8.380 nan 0.000 0.530 63 E N -0.135 120.035 120.200 -0.049 0.000 2.058 63 E HA -0.278 4.087 4.350 0.025 0.000 0.194 63 E C 1.050 177.581 176.600 -0.115 0.000 0.997 63 E CA 1.495 57.861 56.400 -0.057 0.000 0.801 63 E CB 0.041 29.733 29.700 -0.012 0.000 0.746 63 E HN 0.492 nan 8.360 nan 0.000 0.450 64 K N 0.849 121.146 120.400 -0.171 0.000 2.009 64 K HA -0.131 4.203 4.320 0.025 0.000 0.210 64 K C 2.153 178.588 176.600 -0.275 0.000 1.049 64 K CA 1.381 57.469 56.287 -0.332 0.000 0.929 64 K CB -0.597 31.539 32.500 -0.607 0.000 0.714 64 K HN 0.185 nan 8.250 nan 0.000 0.440 65 L N 0.796 121.869 121.223 -0.251 0.000 2.042 65 L HA -0.236 4.118 4.340 0.025 0.000 0.210 65 L C 1.973 178.727 176.870 -0.193 0.000 1.076 65 L CA 1.409 56.075 54.840 -0.289 0.000 0.749 65 L CB -0.590 41.291 42.059 -0.295 0.000 0.893 65 L HN 0.284 nan 8.230 nan 0.000 0.432 66 N N -0.398 118.214 118.700 -0.146 0.000 2.166 66 N HA -0.158 4.597 4.740 0.025 0.000 0.186 66 N C 2.048 177.498 175.510 -0.099 0.000 1.019 66 N CA 1.661 54.648 53.050 -0.104 0.000 0.856 66 N CB -0.412 38.027 38.487 -0.080 0.000 0.993 66 N HN 0.371 nan 8.380 nan 0.000 0.426 67 S N 0.300 115.930 115.700 -0.117 0.000 2.474 67 S HA 0.039 4.524 4.470 0.025 0.000 0.235 67 S C 1.762 176.299 174.600 -0.106 0.000 0.997 67 S CA 0.345 58.483 58.200 -0.104 0.000 0.949 67 S CB -0.402 62.730 63.200 -0.114 0.000 0.766 67 S HN 0.244 nan 8.310 nan 0.000 0.517 68 L N 0.734 121.879 121.223 -0.128 0.000 2.599 68 L HA 0.207 4.562 4.340 0.025 0.000 0.230 68 L C 2.588 179.411 176.870 -0.079 0.000 1.141 68 L CA 0.499 55.272 54.840 -0.112 0.000 0.877 68 L CB -0.344 41.630 42.059 -0.141 0.000 1.009 68 L HN 0.281 nan 8.230 nan 0.000 0.447 69 E N 1.129 121.286 120.200 -0.072 0.000 2.160 69 E HA -0.260 4.105 4.350 0.025 0.000 0.195 69 E C 1.701 178.280 176.600 -0.035 0.000 0.991 69 E CA 1.541 57.911 56.400 -0.049 0.000 0.810 69 E CB -0.057 29.617 29.700 -0.044 0.000 0.742 69 E HN 0.562 nan 8.360 nan 0.000 0.466 70 D N -0.470 119.909 120.400 -0.037 0.000 2.263 70 D HA -0.139 4.516 4.640 0.025 0.000 0.208 70 D C 1.596 177.882 176.300 -0.023 0.000 0.971 70 D CA 1.499 55.483 54.000 -0.028 0.000 0.867 70 D CB -0.217 40.566 40.800 -0.028 0.000 0.929 70 D HN 0.310 nan 8.370 nan 0.000 0.492 71 V N -3.636 116.263 119.914 -0.026 0.000 3.605 71 V HA 0.341 4.476 4.120 0.025 0.000 0.284 71 V C 0.852 176.940 176.094 -0.010 0.000 1.386 71 V CA -0.693 61.597 62.300 -0.016 0.000 1.053 71 V CB -0.445 31.368 31.823 -0.015 0.000 0.857 71 V HN -0.173 nan 8.190 nan 0.000 0.436 72 R N 1.922 122.414 120.500 -0.013 0.000 2.491 72 R HA 0.441 4.796 4.340 0.025 0.000 0.283 72 R C -0.260 176.042 176.300 0.003 0.000 1.072 72 R CA 0.115 56.215 56.100 0.000 0.000 1.048 72 R CB 0.732 31.031 30.300 -0.002 0.000 0.983 72 R HN 0.358 nan 8.270 nan 0.000 0.450 73 K N 1.171 121.577 120.400 0.011 0.000 2.413 73 K HA 0.331 4.666 4.320 0.025 0.000 0.257 73 K C -0.108 176.509 176.600 0.028 0.000 0.946 73 K CA -0.415 55.868 56.287 -0.007 0.000 0.823 73 K CB 1.835 34.321 32.500 -0.024 0.000 1.109 73 K HN 0.730 nan 8.250 nan 0.000 0.427 74 G N 0.457 109.292 108.800 0.058 0.000 2.582 74 G HA2 0.267 4.242 3.960 0.025 0.000 0.232 74 G HA3 0.267 4.242 3.960 0.025 0.000 0.232 74 G C 0.294 175.304 174.900 0.184 0.000 1.458 74 G CA 0.278 45.465 45.100 0.145 0.000 1.062 74 G HN 0.701 nan 8.290 nan 0.000 0.566 75 S N -2.535 113.355 115.700 0.317 0.000 2.501 75 S HA 0.120 4.605 4.470 0.025 0.000 0.250 75 S C 0.210 174.972 174.600 0.271 0.000 0.959 75 S CA -0.162 58.223 58.200 0.308 0.000 1.250 75 S CB 0.071 63.361 63.200 0.149 0.000 0.933 75 S HN 0.499 nan 8.310 nan 0.000 0.420 76 E N 3.049 123.322 120.200 0.122 0.000 2.392 76 E HA 0.334 4.699 4.350 0.025 0.000 0.264 76 E C -0.212 176.280 176.600 -0.181 0.000 1.024 76 E CA 0.115 56.515 56.400 -0.000 0.000 0.903 76 E CB 0.084 29.779 29.700 -0.007 0.000 0.963 76 E HN 0.377 nan 8.360 nan 0.000 0.432 77 N N 0.268 118.881 118.700 -0.145 0.000 2.863 77 N HA -0.214 4.541 4.740 0.025 0.000 0.245 77 N C -1.086 174.275 175.510 -0.249 0.000 1.001 77 N CA 1.198 54.119 53.050 -0.214 0.000 0.901 77 N CB -1.375 36.946 38.487 -0.276 0.000 1.124 77 N HN 0.386 nan 8.380 nan 0.000 0.582 78 Y N 0.707 121.013 120.300 0.011 0.000 2.387 78 Y HA 0.634 5.199 4.550 0.026 0.000 0.330 78 Y C 0.950 176.854 175.900 0.006 0.000 1.133 78 Y CA -0.688 57.417 58.100 0.009 0.000 1.152 78 Y CB 1.062 39.528 38.460 0.010 0.000 1.215 78 Y HN 0.134 nan 8.280 nan 0.000 0.466 79 A N 2.851 125.785 122.820 0.191 0.000 2.407 79 A HA 0.357 4.692 4.320 0.025 0.000 0.248 79 A C -0.585 177.049 177.584 0.083 0.000 1.082 79 A CA -0.510 51.588 52.037 0.101 0.000 0.785 79 A CB 0.013 19.058 19.000 0.075 0.000 1.020 79 A HN 0.734 nan 8.150 nan 0.000 0.489 80 L N 2.949 124.201 121.223 0.050 0.000 2.410 80 L HA 0.478 4.833 4.340 0.025 0.000 0.273 80 L C 0.670 177.549 176.870 0.016 0.000 1.144 80 L CA 1.271 56.127 54.840 0.026 0.000 0.863 80 L CB 0.314 42.380 42.059 0.011 0.000 1.140 80 L HN 0.907 nan 8.230 nan 0.000 0.463 81 T N 0.423 114.981 114.554 0.007 0.000 2.883 81 T HA 0.631 4.996 4.350 0.025 0.000 0.296 81 T C 0.179 174.881 174.700 0.003 0.000 1.117 81 T CA -0.201 61.905 62.100 0.010 0.000 1.006 81 T CB 1.044 69.920 68.868 0.013 0.000 1.191 81 T HN 0.822 nan 8.240 nan 0.000 0.508 82 T N 0.607 115.175 114.554 0.023 0.000 2.680 82 T HA 0.162 4.527 4.350 0.025 0.000 0.314 82 T C 1.140 175.857 174.700 0.027 0.000 1.045 82 T CA -0.350 61.772 62.100 0.036 0.000 1.025 82 T CB -0.081 68.848 68.868 0.103 0.000 1.000 82 T HN 0.585 nan 8.240 nan 0.000 0.535 83 N N 0.596 119.316 118.700 0.032 0.000 2.381 83 N HA -0.083 4.672 4.740 0.025 0.000 0.182 83 N C 1.640 177.170 175.510 0.034 0.000 1.025 83 N CA 0.721 53.784 53.050 0.022 0.000 0.888 83 N CB -0.215 38.295 38.487 0.038 0.000 0.965 83 N HN 0.583 nan 8.380 nan 0.000 0.438 84 Q N -0.322 119.512 119.800 0.056 0.000 2.415 84 Q HA 0.159 4.514 4.340 0.025 0.000 0.206 84 Q C 0.780 176.803 176.000 0.039 0.000 0.946 84 Q CA 0.266 56.097 55.803 0.048 0.000 0.951 84 Q CB 0.229 29.004 28.738 0.060 0.000 1.026 84 Q HN 0.433 nan 8.270 nan 0.000 0.510 85 G N 0.261 109.081 108.800 0.034 0.000 2.141 85 G HA2 -0.234 3.741 3.960 0.025 0.000 0.242 85 G HA3 -0.234 3.741 3.960 0.025 0.000 0.242 85 G C 0.059 174.984 174.900 0.041 0.000 0.982 85 G CA 0.110 45.225 45.100 0.024 0.000 0.662 85 G HN 0.232 nan 8.290 nan 0.000 0.527 86 V N 1.596 121.551 119.914 0.068 0.000 2.432 86 V HA 0.403 4.537 4.120 0.025 0.000 0.275 86 V C 1.244 177.378 176.094 0.066 0.000 1.043 86 V CA -0.695 61.657 62.300 0.087 0.000 0.925 86 V CB 1.217 33.138 31.823 0.164 0.000 0.985 86 V HN 0.400 nan 8.190 nan 0.000 0.466 87 R N 4.303 124.835 120.500 0.053 0.000 2.537 87 R HA 0.334 4.689 4.340 0.025 0.000 0.280 87 R C -0.507 175.809 176.300 0.025 0.000 1.058 87 R CA -0.006 56.116 56.100 0.036 0.000 1.057 87 R CB 0.476 30.797 30.300 0.035 0.000 0.973 87 R HN 0.576 nan 8.270 nan 0.000 0.438 88 I N 2.349 122.922 120.570 0.004 0.000 2.331 88 I HA 0.104 4.289 4.170 0.025 0.000 0.292 88 I C 1.036 177.143 176.117 -0.016 0.000 0.998 88 I CA 0.012 61.298 61.300 -0.022 0.000 1.267 88 I CB 1.832 39.808 38.000 -0.041 0.000 1.386 88 I HN 0.782 nan 8.210 nan 0.000 0.476 89 A N 4.323 127.130 122.820 -0.021 0.000 1.878 89 A HA -0.033 4.302 4.320 0.025 0.000 0.213 89 A C 0.760 178.329 177.584 -0.024 0.000 1.192 89 A CA 1.060 53.088 52.037 -0.016 0.000 0.619 89 A CB 0.008 19.001 19.000 -0.011 0.000 0.837 89 A HN 0.692 nan 8.150 nan 0.000 0.446 90 D N -0.588 119.790 120.400 -0.038 0.000 2.440 90 D HA 0.318 4.973 4.640 0.025 0.000 0.252 90 D C -1.278 174.991 176.300 -0.053 0.000 1.180 90 D CA -0.419 53.558 54.000 -0.040 0.000 0.894 90 D CB 1.091 41.869 40.800 -0.038 0.000 1.111 90 D HN 0.063 nan 8.370 nan 0.000 0.544 91 D N 2.120 122.492 120.400 -0.047 0.000 2.370 91 D HA 0.047 4.702 4.640 0.025 0.000 0.230 91 D C 0.524 176.792 176.300 -0.053 0.000 1.143 91 D CA 0.297 54.264 54.000 -0.054 0.000 0.834 91 D CB 0.465 41.238 40.800 -0.045 0.000 0.944 91 D HN 0.250 nan 8.370 nan 0.000 0.504 92 Q N -0.635 119.135 119.800 -0.049 0.000 2.214 92 Q HA 0.271 4.626 4.340 0.025 0.000 0.229 92 Q C -0.216 175.755 176.000 -0.049 0.000 0.835 92 Q CA 0.098 55.873 55.803 -0.047 0.000 0.953 92 Q CB 0.842 29.557 28.738 -0.038 0.000 1.131 92 Q HN 0.207 nan 8.270 nan 0.000 0.501 93 N N 0.044 118.713 118.700 -0.053 0.000 2.329 93 N HA 0.314 5.068 4.740 0.025 0.000 0.282 93 N C -0.997 174.478 175.510 -0.059 0.000 1.198 93 N CA -0.292 52.728 53.050 -0.050 0.000 0.790 93 N CB 2.055 40.517 38.487 -0.041 0.000 1.579 93 N HN -0.189 nan 8.380 nan 0.000 0.475 94 S N 0.745 116.413 115.700 -0.053 0.000 2.617 94 S HA 0.292 4.777 4.470 0.025 0.000 0.269 94 S C 0.158 174.731 174.600 -0.044 0.000 1.292 94 S CA -0.586 57.582 58.200 -0.053 0.000 1.010 94 S CB 0.782 63.956 63.200 -0.042 0.000 0.944 94 S HN 0.389 nan 8.310 nan 0.000 0.536 95 L N 3.553 124.749 121.223 -0.044 0.000 2.360 95 L HA 0.415 4.769 4.340 0.025 0.000 0.276 95 L C 0.117 176.979 176.870 -0.015 0.000 1.121 95 L CA 0.435 55.258 54.840 -0.028 0.000 0.845 95 L CB -0.028 42.017 42.059 -0.023 0.000 1.143 95 L HN 0.742 nan 8.230 nan 0.000 0.452 96 R N 4.120 124.614 120.500 -0.010 0.000 2.799 96 R HA 0.846 5.201 4.340 0.025 0.000 0.270 96 R C -1.184 175.115 176.300 -0.002 0.000 1.010 96 R CA -0.850 55.246 56.100 -0.006 0.000 0.916 96 R CB 1.131 31.425 30.300 -0.009 0.000 1.228 96 R HN 0.585 nan 8.270 nan 0.000 0.469 97 A N 1.304 124.125 122.820 0.001 0.000 2.666 97 A HA 0.579 4.914 4.320 0.025 0.000 0.312 97 A C 0.617 178.201 177.584 0.000 0.000 1.471 97 A CA 0.356 52.394 52.037 0.002 0.000 1.134 97 A CB -0.951 18.052 19.000 0.005 0.000 1.129 97 A HN 1.245 nan 8.150 nan 0.000 0.539 98 G N 1.170 109.969 108.800 -0.001 0.000 2.692 98 G HA2 0.046 4.021 3.960 0.025 0.000 0.686 98 G HA3 0.046 4.021 3.960 0.025 0.000 0.686 98 G C 0.663 175.560 174.900 -0.005 0.000 1.243 98 G CA 0.130 45.228 45.100 -0.003 0.000 0.782 98 G HN 1.837 nan 8.290 nan 0.000 0.625 99 S N -0.200 115.496 115.700 -0.006 0.000 2.515 99 S HA 0.003 4.488 4.470 0.025 0.000 0.231 99 S C 1.532 176.126 174.600 -0.010 0.000 0.987 99 S CA 1.361 59.556 58.200 -0.009 0.000 0.936 99 S CB 0.048 63.242 63.200 -0.010 0.000 0.766 99 S HN 0.754 nan 8.310 nan 0.000 0.528 100 R N 0.822 121.317 120.500 -0.008 0.000 2.586 100 R HA 0.352 4.707 4.340 0.025 0.000 0.336 100 R C 0.909 177.206 176.300 -0.006 0.000 1.060 100 R CA 0.079 56.175 56.100 -0.008 0.000 1.079 100 R CB 0.775 31.071 30.300 -0.007 0.000 1.317 100 R HN 0.446 nan 8.270 nan 0.000 0.568 101 G N 1.619 110.415 108.800 -0.006 0.000 2.671 101 G HA2 0.416 4.391 3.960 0.025 0.000 0.275 101 G HA3 0.416 4.391 3.960 0.025 0.000 0.275 101 G C -2.486 172.412 174.900 -0.004 0.000 1.368 101 G CA -1.087 44.011 45.100 -0.004 0.000 1.044 101 G HN -0.113 nan 8.290 nan 0.000 0.543 102 P HA 0.268 nan 4.420 nan 0.000 0.281 102 P C -0.330 176.969 177.300 -0.001 0.000 1.249 102 P CA -0.106 62.994 63.100 -0.001 0.000 0.810 102 P CB 1.046 32.748 31.700 0.002 0.000 1.008 103 T N 2.359 116.911 114.554 -0.002 0.000 2.907 103 T HA 0.266 4.631 4.350 0.025 0.000 0.298 103 T C 0.483 175.186 174.700 0.005 0.000 1.017 103 T CA -0.106 61.992 62.100 -0.003 0.000 1.118 103 T CB 0.003 68.866 68.868 -0.007 0.000 0.948 103 T HN 0.179 nan 8.240 nan 0.000 0.531 104 L N 3.445 124.673 121.223 0.008 0.000 2.334 104 L HA 0.320 4.675 4.340 0.025 0.000 0.277 104 L C 1.386 178.273 176.870 0.028 0.000 1.075 104 L CA -0.766 54.086 54.840 0.019 0.000 0.804 104 L CB 0.964 43.037 42.059 0.023 0.000 1.174 104 L HN 0.521 nan 8.230 nan 0.000 0.438 105 L N 2.218 123.461 121.223 0.034 0.000 2.191 105 L HA -0.183 4.172 4.340 0.025 0.000 0.212 105 L C 2.282 179.194 176.870 0.069 0.000 1.103 105 L CA 1.607 56.474 54.840 0.045 0.000 0.769 105 L CB -0.539 41.544 42.059 0.040 0.000 0.908 105 L HN 0.783 nan 8.230 nan 0.000 0.438 106 E N -1.535 118.711 120.200 0.076 0.000 2.516 106 E HA -0.172 4.193 4.350 0.025 0.000 0.199 106 E C 0.174 176.879 176.600 0.175 0.000 1.069 106 E CA 0.189 56.662 56.400 0.122 0.000 0.876 106 E CB -0.532 29.232 29.700 0.106 0.000 0.843 106 E HN 0.360 nan 8.360 nan 0.000 0.530 107 D N 1.211 121.666 120.400 0.091 0.000 2.455 107 D HA -0.044 4.611 4.640 0.025 0.000 0.234 107 D C 0.379 176.688 176.300 0.014 0.000 1.224 107 D CA -0.446 53.560 54.000 0.010 0.000 0.999 107 D CB -0.182 40.595 40.800 -0.039 0.000 1.072 107 D HN 0.319 nan 8.370 nan 0.000 0.514 108 F N 1.750 121.708 119.950 0.014 0.000 2.456 108 F HA 0.128 4.666 4.527 0.018 0.000 0.298 108 F C 1.620 177.433 175.800 0.021 0.000 1.104 108 F CA -0.011 58.000 58.000 0.020 0.000 1.435 108 F CB -0.572 38.439 39.000 0.018 0.000 1.078 108 F HN 0.160 nan 8.300 nan 0.000 0.546 109 I N 0.389 120.540 120.570 -0.697 0.000 2.193 109 I HA -0.202 3.983 4.170 0.025 0.000 0.240 109 I C 2.492 178.497 176.117 -0.188 0.000 1.084 109 I CA 1.030 62.043 61.300 -0.478 0.000 1.365 109 I CB -0.522 37.141 38.000 -0.563 0.000 1.064 109 I HN 0.261 nan 8.210 nan 0.000 0.410 110 L N 1.153 122.278 121.223 -0.164 0.000 1.990 110 L HA -0.235 4.120 4.340 0.025 0.000 0.213 110 L C 2.634 179.491 176.870 -0.022 0.000 1.072 110 L CA 1.957 56.749 54.840 -0.080 0.000 0.755 110 L CB -0.572 41.448 42.059 -0.066 0.000 0.889 110 L HN 0.066 nan 8.230 nan 0.000 0.432 111 R N -0.751 119.755 120.500 0.009 0.000 2.115 111 R HA -0.159 4.195 4.340 0.025 0.000 0.230 111 R C 2.287 178.641 176.300 0.089 0.000 1.111 111 R CA 1.351 57.486 56.100 0.059 0.000 0.976 111 R CB -0.327 30.023 30.300 0.085 0.000 0.870 111 R HN 0.604 nan 8.270 nan 0.000 0.445 112 E N 1.244 121.499 120.200 0.091 0.000 2.072 112 E HA -0.230 4.134 4.350 0.025 0.000 0.191 112 E C 1.904 178.579 176.600 0.124 0.000 0.985 112 E CA 1.196 57.669 56.400 0.122 0.000 0.801 112 E CB 0.133 29.908 29.700 0.126 0.000 0.750 112 E HN 0.148 nan 8.360 nan 0.000 0.452 113 K N 0.293 120.735 120.400 0.070 0.000 2.025 113 K HA -0.118 4.217 4.320 0.025 0.000 0.207 113 K C 2.139 178.810 176.600 0.118 0.000 1.049 113 K CA 1.265 57.592 56.287 0.066 0.000 0.933 113 K CB -0.006 32.490 32.500 -0.006 0.000 0.714 113 K HN 0.146 nan 8.250 nan 0.000 0.438 114 I N 1.310 121.930 120.570 0.084 0.000 2.353 114 I HA -0.174 4.011 4.170 0.025 0.000 0.248 114 I C 2.102 178.328 176.117 0.182 0.000 1.119 114 I CA 1.255 62.624 61.300 0.114 0.000 1.417 114 I CB -1.409 36.621 38.000 0.051 0.000 1.078 114 I HN 0.234 nan 8.210 nan 0.000 0.421 115 T N -0.178 114.473 114.554 0.163 0.000 2.684 115 T HA -0.236 4.129 4.350 0.025 0.000 0.267 115 T C 1.964 176.798 174.700 0.223 0.000 1.036 115 T CA 1.520 63.736 62.100 0.195 0.000 1.148 115 T CB -0.439 68.552 68.868 0.206 0.000 0.863 115 T HN 0.352 nan 8.240 nan 0.000 0.436 116 H N -0.205 118.960 119.070 0.158 0.000 2.357 116 H HA -0.049 4.522 4.556 0.025 0.000 0.301 116 H C 2.212 177.602 175.328 0.103 0.000 1.082 116 H CA 1.504 57.631 56.048 0.133 0.000 1.342 116 H CB -0.436 29.385 29.762 0.098 0.000 1.389 116 H HN 0.379 nan 8.280 nan 0.000 0.511 117 F N 2.204 122.220 119.950 0.109 0.000 2.091 117 F HA -0.232 4.307 4.527 0.020 0.000 0.299 117 F C 1.968 177.712 175.800 -0.093 0.000 1.103 117 F CA 1.908 59.916 58.000 0.012 0.000 1.228 117 F CB -0.390 38.609 39.000 -0.002 0.000 0.984 117 F HN 0.081 nan 8.300 nan 0.000 0.477 118 D N -1.265 119.064 120.400 -0.119 0.000 2.351 118 D HA -0.138 4.516 4.640 0.025 0.000 0.216 118 D C 1.049 176.929 176.300 -0.699 0.000 0.968 118 D CA 1.135 54.880 54.000 -0.425 0.000 0.899 118 D CB -0.354 40.174 40.800 -0.453 0.000 0.907 118 D HN 0.491 nan 8.370 nan 0.000 0.514 119 H N -0.615 118.335 119.070 -0.201 0.000 2.510 119 H HA 0.223 4.790 4.556 0.019 0.000 0.266 119 H C 0.960 176.127 175.328 -0.269 0.000 1.146 119 H CA -0.160 55.765 56.048 -0.205 0.000 0.993 119 H CB 0.500 30.158 29.762 -0.173 0.000 1.727 119 H HN 0.239 nan 8.280 nan 0.000 0.590 120 E N 0.573 120.612 120.200 -0.268 0.000 2.152 120 E HA -0.030 4.334 4.350 0.025 0.000 0.192 120 E C 0.487 176.935 176.600 -0.253 0.000 0.983 120 E CA 0.519 56.736 56.400 -0.306 0.000 0.818 120 E CB 0.502 29.993 29.700 -0.349 0.000 0.758 120 E HN 0.139 nan 8.360 nan 0.000 0.467 121 R N 1.185 121.594 120.500 -0.151 0.000 2.410 121 R HA 0.343 4.698 4.340 0.025 0.000 0.288 121 R C 0.398 176.732 176.300 0.056 0.000 1.051 121 R CA -0.241 55.839 56.100 -0.034 0.000 1.021 121 R CB 0.670 30.943 30.300 -0.045 0.000 1.032 121 R HN 0.167 nan 8.270 nan 0.000 0.481 122 I N -0.924 119.741 120.570 0.159 0.000 2.797 122 I HA 0.585 4.770 4.170 0.025 0.000 0.307 122 I C -2.223 173.955 176.117 0.102 0.000 1.033 122 I CA -2.958 58.427 61.300 0.141 0.000 1.071 122 I CB 1.804 39.925 38.000 0.201 0.000 1.255 122 I HN 0.255 nan 8.210 nan 0.000 0.445 123 P HA 0.083 nan 4.420 nan 0.000 0.265 123 P C -0.840 176.491 177.300 0.052 0.000 1.193 123 P CA -0.051 63.076 63.100 0.046 0.000 0.765 123 P CB 0.403 32.119 31.700 0.026 0.000 0.823 124 E N 2.776 123.009 120.200 0.055 0.000 2.391 124 E HA 0.184 4.549 4.350 0.025 0.000 0.255 124 E C -0.428 176.201 176.600 0.048 0.000 1.187 124 E CA -0.840 55.599 56.400 0.064 0.000 0.941 124 E CB 0.596 30.339 29.700 0.072 0.000 1.010 124 E HN 0.261 nan 8.360 nan 0.000 0.458 125 R N 0.551 121.086 120.500 0.058 0.000 2.623 125 R HA 0.013 4.368 4.340 0.025 0.000 0.271 125 R C 1.310 177.647 176.300 0.063 0.000 1.043 125 R CA -0.417 55.715 56.100 0.053 0.000 1.083 125 R CB 0.299 30.650 30.300 0.084 0.000 0.974 125 R HN 0.570 nan 8.270 nan 0.000 0.436 126 I N 1.767 122.369 120.570 0.054 0.000 2.226 126 I HA -0.128 4.057 4.170 0.025 0.000 0.245 126 I C 1.206 177.381 176.117 0.097 0.000 1.100 126 I CA 1.492 62.833 61.300 0.068 0.000 1.374 126 I CB -0.988 37.056 38.000 0.074 0.000 1.057 126 I HN 0.376 nan 8.210 nan 0.000 0.413 127 V N -3.185 116.823 119.914 0.157 0.000 3.074 127 V HA 0.508 4.643 4.120 0.025 0.000 0.314 127 V C 0.398 176.669 176.094 0.295 0.000 1.117 127 V CA -0.861 61.560 62.300 0.201 0.000 1.014 127 V CB 1.705 33.727 31.823 0.332 0.000 1.057 127 V HN 0.431 nan 8.190 nan 0.000 0.438 128 H N 0.180 119.317 119.070 0.112 0.000 2.862 128 H HA -0.221 4.350 4.556 0.025 0.000 0.290 128 H C 1.530 176.907 175.328 0.082 0.000 1.211 128 H CA 0.707 56.812 56.048 0.096 0.000 1.140 128 H CB -1.224 28.582 29.762 0.073 0.000 1.341 128 H HN 1.145 nan 8.280 nan 0.000 0.392 129 A N 0.747 123.659 122.820 0.153 0.000 2.019 129 A HA -0.106 4.229 4.320 0.025 0.000 0.219 129 A C 1.665 179.340 177.584 0.152 0.000 1.164 129 A CA 1.364 53.480 52.037 0.130 0.000 0.644 129 A CB -0.062 18.993 19.000 0.092 0.000 0.805 129 A HN 0.300 nan 8.150 nan 0.000 0.449 130 R N -0.054 120.537 120.500 0.151 0.000 2.229 130 R HA 0.523 4.878 4.340 0.025 0.000 0.328 130 R C -0.238 176.190 176.300 0.214 0.000 1.009 130 R CA 0.715 56.923 56.100 0.181 0.000 0.864 130 R CB 0.581 30.973 30.300 0.153 0.000 1.085 130 R HN 0.322 nan 8.270 nan 0.000 0.453 131 G N 1.060 110.015 108.800 0.258 0.000 2.732 131 G HA2 0.471 4.446 3.960 0.025 0.000 0.296 131 G HA3 0.471 4.446 3.960 0.025 0.000 0.296 131 G C -1.639 173.419 174.900 0.264 0.000 1.448 131 G CA -0.598 44.617 45.100 0.193 0.000 0.911 131 G HN 0.511 nan 8.290 nan 0.000 0.528 132 S N -0.808 115.000 115.700 0.180 0.000 2.538 132 S HA 0.901 5.386 4.470 0.025 0.000 0.288 132 S C -0.061 174.559 174.600 0.034 0.000 1.108 132 S CA -0.181 58.183 58.200 0.273 0.000 0.971 132 S CB 1.778 65.254 63.200 0.461 0.000 1.041 132 S HN 1.561 nan 8.310 nan 0.000 0.483 133 A N 1.596 124.393 122.820 -0.038 0.000 2.479 133 A HA 1.031 5.366 4.320 0.025 0.000 0.296 133 A C -0.968 176.413 177.584 -0.339 0.000 1.121 133 A CA -0.775 51.015 52.037 -0.413 0.000 0.743 133 A CB 1.623 20.203 19.000 -0.700 0.000 1.323 133 A HN 1.341 nan 8.150 nan 0.000 0.415 134 A N 0.479 122.938 122.820 -0.601 0.000 2.604 134 A HA 0.692 5.027 4.320 0.025 0.000 0.295 134 A C -1.108 176.305 177.584 -0.285 0.000 1.067 134 A CA -0.655 51.210 52.037 -0.287 0.000 0.683 134 A CB 0.719 19.642 19.000 -0.129 0.000 1.281 134 A HN 0.875 nan 8.150 nan 0.000 0.407 135 H N -0.126 118.989 119.070 0.074 0.000 2.505 135 H HA 0.651 5.221 4.556 0.025 0.000 0.351 135 H C 0.700 176.036 175.328 0.014 0.000 1.151 135 H CA 1.126 57.263 56.048 0.149 0.000 1.339 135 H CB 1.767 31.604 29.762 0.125 0.000 1.483 135 H HN 1.151 nan 8.280 nan 0.000 0.558 136 G N 0.909 109.813 108.800 0.173 0.000 2.510 136 G HA2 0.340 4.315 3.960 0.025 0.000 0.277 136 G HA3 0.340 4.315 3.960 0.025 0.000 0.277 136 G C -1.990 173.049 174.900 0.232 0.000 1.223 136 G CA -0.587 44.582 45.100 0.115 0.000 0.887 136 G HN 0.626 nan 8.290 nan 0.000 0.485 137 Y N -1.716 118.625 120.300 0.068 0.000 2.597 137 Y HA 0.839 5.404 4.550 0.025 0.000 0.340 137 Y C -1.692 174.354 175.900 0.244 0.000 1.097 137 Y CA -1.917 56.269 58.100 0.144 0.000 1.037 137 Y CB 1.897 40.411 38.460 0.091 0.000 1.305 137 Y HN 0.833 nan 8.280 nan 0.000 0.463 138 F N 2.079 122.166 119.950 0.228 0.000 2.563 138 F HA 0.707 5.250 4.527 0.025 0.000 0.316 138 F C -1.285 174.699 175.800 0.306 0.000 1.076 138 F CA -0.614 57.523 58.000 0.229 0.000 0.921 138 F CB 2.411 41.677 39.000 0.443 0.000 1.209 138 F HN 0.805 nan 8.300 nan 0.000 0.462 139 Q N 6.552 125.754 119.800 -0.997 0.000 2.309 139 Q HA 0.500 4.855 4.340 0.025 0.000 0.273 139 Q C -3.010 172.315 176.000 -1.125 0.000 1.040 139 Q CA -2.312 53.087 55.803 -0.672 0.000 0.834 139 Q CB 3.210 31.845 28.738 -0.171 0.000 1.345 139 Q HN 0.371 nan 8.270 nan 0.000 0.414 140 P HA 0.093 nan 4.420 nan 0.000 0.281 140 P C -0.450 176.694 177.300 -0.261 0.000 1.249 140 P CA -0.041 62.782 63.100 -0.462 0.000 0.810 140 P CB 0.674 32.294 31.700 -0.133 0.000 1.008 141 Y N 1.010 121.245 120.300 -0.108 0.000 2.242 141 Y HA -0.096 4.469 4.550 0.025 0.000 0.291 141 Y C 1.533 177.404 175.900 -0.049 0.000 1.137 141 Y CA 0.654 58.714 58.100 -0.066 0.000 1.181 141 Y CB 0.133 38.562 38.460 -0.051 0.000 0.989 141 Y HN 0.374 nan 8.280 nan 0.000 0.527 142 K N -1.025 119.435 120.400 0.098 0.000 2.555 142 K HA 0.403 4.738 4.320 0.025 0.000 0.279 142 K C -0.886 175.717 176.600 0.004 0.000 0.986 142 K CA -0.947 55.368 56.287 0.046 0.000 0.880 142 K CB 1.583 34.112 32.500 0.049 0.000 1.474 142 K HN -0.246 nan 8.250 nan 0.000 0.433 143 S N 0.943 116.643 115.700 0.000 0.000 2.537 143 S HA 0.126 4.611 4.470 0.025 0.000 0.286 143 S C 0.419 175.006 174.600 -0.022 0.000 1.299 143 S CA -0.572 57.619 58.200 -0.015 0.000 1.067 143 S CB -0.210 62.986 63.200 -0.008 0.000 0.864 143 S HN 0.551 nan 8.310 nan 0.000 0.494 144 L N 4.886 126.085 121.223 -0.041 0.000 2.872 144 L HA 0.127 4.482 4.340 0.025 0.000 0.245 144 L C 2.093 178.944 176.870 -0.031 0.000 1.211 144 L CA 0.015 54.837 54.840 -0.030 0.000 1.013 144 L CB -0.312 41.730 42.059 -0.027 0.000 1.326 144 L HN 0.872 nan 8.230 nan 0.000 0.525 145 S N -1.378 114.302 115.700 -0.033 0.000 2.420 145 S HA -0.215 4.270 4.470 0.025 0.000 0.237 145 S C 1.284 175.867 174.600 -0.029 0.000 1.023 145 S CA 1.316 59.496 58.200 -0.034 0.000 0.991 145 S CB -0.186 62.999 63.200 -0.025 0.000 0.792 145 S HN 0.419 nan 8.310 nan 0.000 0.488 146 D N 1.832 122.220 120.400 -0.020 0.000 2.309 146 D HA 0.011 4.666 4.640 0.025 0.000 0.212 146 D C 1.742 178.027 176.300 -0.026 0.000 0.968 146 D CA 1.402 55.391 54.000 -0.019 0.000 0.882 146 D CB -0.176 40.618 40.800 -0.010 0.000 0.918 146 D HN 0.839 nan 8.370 nan 0.000 0.503 147 I N -4.562 115.992 120.570 -0.026 0.000 4.456 147 I HA 0.231 4.416 4.170 0.025 0.000 0.329 147 I C 0.352 176.430 176.117 -0.066 0.000 1.313 147 I CA -0.107 61.171 61.300 -0.036 0.000 1.205 147 I CB 1.328 39.328 38.000 0.001 0.000 1.179 147 I HN -0.267 nan 8.210 nan 0.000 0.419 148 T N 1.731 116.247 114.554 -0.064 0.000 3.041 148 T HA 0.318 4.683 4.350 0.025 0.000 0.321 148 T C -0.113 174.530 174.700 -0.094 0.000 1.184 148 T CA -0.661 61.381 62.100 -0.097 0.000 1.050 148 T CB 1.749 70.550 68.868 -0.113 0.000 1.159 148 T HN 0.424 nan 8.240 nan 0.000 0.469 149 K N 2.561 122.904 120.400 -0.095 0.000 2.417 149 K HA 0.560 4.895 4.320 0.025 0.000 0.196 149 K C 0.750 177.305 176.600 -0.076 0.000 1.023 149 K CA -0.306 55.936 56.287 -0.074 0.000 1.122 149 K CB 0.225 32.688 32.500 -0.062 0.000 0.850 149 K HN 0.493 nan 8.250 nan 0.000 0.521 150 A N 2.192 124.940 122.820 -0.120 0.000 2.545 150 A HA -0.065 4.270 4.320 0.025 0.000 0.253 150 A C 0.589 178.114 177.584 -0.098 0.000 1.074 150 A CA 0.101 52.066 52.037 -0.119 0.000 0.760 150 A CB 0.021 18.863 19.000 -0.263 0.000 1.005 150 A HN 0.451 nan 8.150 nan 0.000 0.506 151 D N 2.356 122.776 120.400 0.033 0.000 2.149 151 D HA -0.239 4.416 4.640 0.025 0.000 0.198 151 D C 1.377 177.741 176.300 0.108 0.000 0.990 151 D CA 2.279 56.320 54.000 0.068 0.000 0.839 151 D CB -0.247 40.617 40.800 0.108 0.000 0.948 151 D HN 0.740 nan 8.370 nan 0.000 0.460 152 F N -0.520 119.449 119.950 0.031 0.000 2.494 152 F HA 0.105 4.648 4.527 0.026 0.000 0.298 152 F C 1.086 176.975 175.800 0.147 0.000 1.106 152 F CA 0.569 58.628 58.000 0.099 0.000 1.452 152 F CB -0.248 38.801 39.000 0.082 0.000 1.085 152 F HN -0.040 nan 8.300 nan 0.000 0.569 153 L N 0.795 121.744 121.223 -0.456 0.000 2.910 153 L HA 0.207 4.562 4.340 0.025 0.000 0.252 153 L C 1.736 178.517 176.870 -0.149 0.000 1.195 153 L CA 0.343 54.963 54.840 -0.367 0.000 1.003 153 L CB -0.053 41.656 42.059 -0.584 0.000 1.328 153 L HN 0.315 nan 8.230 nan 0.000 0.540 154 S N -2.486 113.169 115.700 -0.074 0.000 2.524 154 S HA 0.068 4.553 4.470 0.025 0.000 0.216 154 S C 0.318 174.913 174.600 -0.009 0.000 0.987 154 S CA -0.133 58.045 58.200 -0.037 0.000 0.909 154 S CB 0.185 63.376 63.200 -0.015 0.000 0.781 154 S HN 0.353 nan 8.310 nan 0.000 0.521 155 D N 0.673 121.076 120.400 0.006 0.000 2.804 155 D HA 0.285 4.940 4.640 0.025 0.000 0.209 155 D C -2.548 173.764 176.300 0.020 0.000 1.314 155 D CA -1.621 52.390 54.000 0.018 0.000 0.894 155 D CB 1.995 42.813 40.800 0.031 0.000 1.615 155 D HN -0.152 nan 8.370 nan 0.000 0.571 156 P HA -0.075 nan 4.420 nan 0.000 0.225 156 P C 0.404 177.718 177.300 0.022 0.000 1.148 156 P CA 0.657 63.765 63.100 0.013 0.000 0.779 156 P CB 0.436 32.156 31.700 0.032 0.000 0.780 157 N N -0.374 118.345 118.700 0.031 0.000 2.336 157 N HA 0.015 4.770 4.740 0.025 0.000 0.189 157 N C 0.610 176.151 175.510 0.051 0.000 1.113 157 N CA 0.212 53.284 53.050 0.036 0.000 0.858 157 N CB 0.127 38.632 38.487 0.030 0.000 0.970 157 N HN 0.272 nan 8.380 nan 0.000 0.471 158 K N 1.682 122.122 120.400 0.067 0.000 2.316 158 K HA 0.184 4.519 4.320 0.025 0.000 0.289 158 K C -0.559 176.131 176.600 0.151 0.000 1.070 158 K CA -0.199 56.152 56.287 0.107 0.000 0.928 158 K CB 0.479 33.056 32.500 0.128 0.000 1.039 158 K HN -0.133 nan 8.250 nan 0.000 0.480 159 I N 3.780 124.443 120.570 0.156 0.000 2.336 159 I HA 0.168 4.353 4.170 0.025 0.000 0.292 159 I C 0.085 176.370 176.117 0.281 0.000 0.991 159 I CA -0.424 61.001 61.300 0.210 0.000 1.227 159 I CB 1.534 39.607 38.000 0.123 0.000 1.366 159 I HN 0.516 nan 8.210 nan 0.000 0.466 160 T N 7.910 122.716 114.554 0.421 0.000 2.772 160 T HA 0.389 4.754 4.350 0.025 0.000 0.288 160 T C -2.470 172.490 174.700 0.435 0.000 0.994 160 T CA -1.346 61.024 62.100 0.451 0.000 0.951 160 T CB 1.690 70.928 68.868 0.617 0.000 0.933 160 T HN 0.266 nan 8.240 nan 0.000 0.447 161 P HA 0.293 nan 4.420 nan 0.000 0.271 161 P C -0.669 176.871 177.300 0.401 0.000 1.218 161 P CA -0.468 62.831 63.100 0.333 0.000 0.780 161 P CB 0.587 32.415 31.700 0.213 0.000 0.901 162 V N -0.262 119.830 119.914 0.297 0.000 3.040 162 V HA 0.725 4.860 4.120 0.025 0.000 0.312 162 V C -1.322 174.930 176.094 0.263 0.000 1.115 162 V CA -0.943 61.429 62.300 0.121 0.000 0.998 162 V CB 2.196 33.874 31.823 -0.241 0.000 1.042 162 V HN 0.311 nan 8.190 nan 0.000 0.433 163 F N 2.466 122.395 119.950 -0.035 0.000 2.507 163 F HA 0.833 5.375 4.527 0.025 0.000 0.328 163 F C -0.792 174.900 175.800 -0.179 0.000 1.136 163 F CA -0.861 57.056 58.000 -0.138 0.000 0.930 163 F CB 1.936 40.878 39.000 -0.096 0.000 1.166 163 F HN 0.515 nan 8.300 nan 0.000 0.436 164 V N 6.784 126.252 119.914 -0.743 0.000 2.495 164 V HA 0.556 4.691 4.120 0.025 0.000 0.298 164 V C -0.528 174.887 176.094 -1.131 0.000 1.031 164 V CA -0.812 60.958 62.300 -0.883 0.000 0.871 164 V CB 1.821 33.066 31.823 -0.963 0.000 0.988 164 V HN 0.732 nan 8.190 nan 0.000 0.432 165 R N 3.617 123.467 120.500 -1.084 0.000 2.494 165 R HA 0.648 5.003 4.340 0.025 0.000 0.305 165 R C -1.544 174.135 176.300 -1.036 0.000 0.959 165 R CA -0.414 55.133 56.100 -0.923 0.000 0.864 165 R CB 1.183 31.108 30.300 -0.627 0.000 1.159 165 R HN 0.547 nan 8.270 nan 0.000 0.446 166 F N 1.590 121.114 119.950 -0.710 0.000 2.440 166 F HA 0.558 5.100 4.527 0.025 0.000 0.328 166 F C 0.359 175.786 175.800 -0.621 0.000 1.070 166 F CA -0.293 57.169 58.000 -0.896 0.000 1.011 166 F CB 2.226 40.183 39.000 -1.737 0.000 1.226 166 F HN 0.622 nan 8.300 nan 0.000 0.491 167 S N -1.195 114.409 115.700 -0.161 0.000 2.587 167 S HA 0.596 5.081 4.470 0.025 0.000 0.269 167 S C -0.637 174.099 174.600 0.227 0.000 1.154 167 S CA -0.876 57.388 58.200 0.107 0.000 0.824 167 S CB 1.283 64.595 63.200 0.187 0.000 1.118 167 S HN 0.755 nan 8.310 nan 0.000 0.462 168 T N -1.280 113.407 114.554 0.221 0.000 2.891 168 T HA 0.690 5.055 4.350 0.025 0.000 0.294 168 T C 0.833 175.499 174.700 -0.058 0.000 1.065 168 T CA -0.022 62.166 62.100 0.147 0.000 0.936 168 T CB 0.250 69.210 68.868 0.155 0.000 1.415 168 T HN 0.689 nan 8.240 nan 0.000 0.572 169 V N -0.207 119.635 119.914 -0.120 0.000 3.058 169 V HA 0.150 4.285 4.120 0.025 0.000 0.233 169 V C 2.685 178.706 176.094 -0.121 0.000 1.255 169 V CA 0.294 62.398 62.300 -0.326 0.000 1.267 169 V CB -0.225 31.487 31.823 -0.185 0.000 1.049 169 V HN 0.855 nan 8.190 nan 0.000 0.486 170 Q N 0.981 120.747 119.800 -0.056 0.000 2.165 170 Q HA 0.115 4.470 4.340 0.025 0.000 0.197 170 Q C 1.264 177.242 176.000 -0.036 0.000 0.952 170 Q CA 1.202 56.970 55.803 -0.059 0.000 0.848 170 Q CB 0.046 28.736 28.738 -0.080 0.000 0.931 170 Q HN 0.587 nan 8.270 nan 0.000 0.470 171 G N -0.066 108.727 108.800 -0.012 0.000 2.572 171 G HA2 0.400 4.375 3.960 0.025 0.000 0.261 171 G HA3 0.400 4.375 3.960 0.025 0.000 0.261 171 G C 0.136 175.045 174.900 0.016 0.000 1.197 171 G CA 0.061 45.159 45.100 -0.003 0.000 0.870 171 G HN 0.313 nan 8.290 nan 0.000 0.548 172 G N -1.057 107.748 108.800 0.008 0.000 2.684 172 G HA2 0.462 4.437 3.960 0.025 0.000 0.255 172 G HA3 0.462 4.437 3.960 0.025 0.000 0.255 172 G C 1.363 176.295 174.900 0.054 0.000 1.219 172 G CA 0.443 45.558 45.100 0.025 0.000 0.901 172 G HN 1.102 nan 8.290 nan 0.000 0.548 173 A N -0.581 122.282 122.820 0.071 0.000 2.076 173 A HA 0.112 4.447 4.320 0.025 0.000 0.220 173 A C 2.183 179.809 177.584 0.070 0.000 1.160 173 A CA 2.010 54.109 52.037 0.104 0.000 0.653 173 A CB -0.322 18.756 19.000 0.130 0.000 0.801 173 A HN 1.170 nan 8.150 nan 0.000 0.455 174 G N -0.288 108.534 108.800 0.036 0.000 3.434 174 G HA2 0.348 4.323 3.960 0.025 0.000 0.258 174 G HA3 0.348 4.323 3.960 0.025 0.000 0.258 174 G C 0.649 175.552 174.900 0.005 0.000 1.128 174 G CA 0.654 45.760 45.100 0.010 0.000 0.792 174 G HN 0.649 nan 8.290 nan 0.000 0.539 175 S N -0.121 115.590 115.700 0.019 0.000 2.641 175 S HA 0.722 5.207 4.470 0.025 0.000 0.261 175 S C 0.490 175.105 174.600 0.025 0.000 1.257 175 S CA -0.023 58.185 58.200 0.013 0.000 0.983 175 S CB 1.559 64.768 63.200 0.015 0.000 0.990 175 S HN 0.593 nan 8.310 nan 0.000 0.572 176 A N 0.162 122.993 122.820 0.017 0.000 2.302 176 A HA 0.453 4.788 4.320 0.025 0.000 0.285 176 A C 0.621 178.227 177.584 0.036 0.000 1.105 176 A CA -0.627 51.417 52.037 0.010 0.000 0.816 176 A CB 0.027 19.015 19.000 -0.019 0.000 1.067 176 A HN 0.863 nan 8.150 nan 0.000 0.489 177 D N 0.531 120.941 120.400 0.017 0.000 2.103 177 D HA -0.073 4.582 4.640 0.025 0.000 0.199 177 D C 1.671 177.957 176.300 -0.023 0.000 0.978 177 D CA 2.306 56.328 54.000 0.036 0.000 0.829 177 D CB -0.229 40.544 40.800 -0.044 0.000 0.981 177 D HN 0.679 nan 8.370 nan 0.000 0.464 178 T N -0.116 114.343 114.554 -0.158 0.000 3.332 178 T HA 0.276 4.641 4.350 0.025 0.000 0.246 178 T C 0.853 175.546 174.700 -0.012 0.000 0.943 178 T CA -0.561 61.449 62.100 -0.151 0.000 0.922 178 T CB -0.998 67.695 68.868 -0.292 0.000 1.086 178 T HN -0.068 nan 8.240 nan 0.000 0.590 179 V N -1.224 118.731 119.914 0.068 0.000 3.376 179 V HA 0.418 4.553 4.120 0.025 0.000 0.303 179 V C 0.710 176.951 176.094 0.245 0.000 1.100 179 V CA -1.354 61.037 62.300 0.151 0.000 1.126 179 V CB 0.329 32.228 31.823 0.128 0.000 1.085 179 V HN 0.557 nan 8.190 nan 0.000 0.480 180 R N 1.555 122.258 120.500 0.339 0.000 2.216 180 R HA 0.473 4.828 4.340 0.025 0.000 0.332 180 R C -0.941 175.443 176.300 0.140 0.000 1.056 180 R CA -0.077 56.172 56.100 0.248 0.000 0.901 180 R CB 0.106 30.492 30.300 0.143 0.000 1.039 180 R HN 1.066 nan 8.270 nan 0.000 0.456 181 D N 3.204 123.697 120.400 0.155 0.000 2.725 181 D HA 0.190 4.845 4.640 0.025 0.000 0.292 181 D C -0.690 175.722 176.300 0.186 0.000 1.288 181 D CA -0.613 53.466 54.000 0.132 0.000 0.784 181 D CB 1.178 42.045 40.800 0.113 0.000 1.308 181 D HN 0.205 nan 8.370 nan 0.000 0.429 182 I N 1.241 121.938 120.570 0.211 0.000 2.882 182 I HA 0.265 4.450 4.170 0.025 0.000 0.286 182 I C 0.783 177.036 176.117 0.227 0.000 1.139 182 I CA -0.113 61.322 61.300 0.226 0.000 1.379 182 I CB 0.130 38.293 38.000 0.271 0.000 1.410 182 I HN 0.247 nan 8.210 nan 0.000 0.594 183 R N 2.684 123.340 120.500 0.261 0.000 2.514 183 R HA 0.516 4.871 4.340 0.025 0.000 0.301 183 R C -0.019 176.468 176.300 0.312 0.000 0.962 183 R CA -0.783 55.488 56.100 0.285 0.000 0.882 183 R CB 1.302 31.792 30.300 0.316 0.000 1.143 183 R HN 0.798 nan 8.270 nan 0.000 0.452 184 G N 1.224 110.230 108.800 0.344 0.000 2.467 184 G HA2 0.376 4.351 3.960 0.025 0.000 0.257 184 G HA3 0.376 4.351 3.960 0.025 0.000 0.257 184 G C -1.139 173.844 174.900 0.138 0.000 1.227 184 G CA 0.021 45.294 45.100 0.289 0.000 0.835 184 G HN 0.372 nan 8.290 nan 0.000 0.556 185 F N 1.974 121.825 119.950 -0.164 0.000 3.034 185 F HA 0.626 5.168 4.527 0.025 0.000 0.371 185 F C -0.247 175.252 175.800 -0.501 0.000 1.233 185 F CA -1.843 55.956 58.000 -0.335 0.000 1.134 185 F CB 1.014 39.939 39.000 -0.126 0.000 1.495 185 F HN 0.677 nan 8.300 nan 0.000 0.563 186 A N 3.333 125.889 122.820 -0.440 0.000 2.318 186 A HA 0.806 5.141 4.320 0.025 0.000 0.324 186 A C -0.678 176.474 177.584 -0.719 0.000 1.170 186 A CA -0.469 51.135 52.037 -0.722 0.000 0.810 186 A CB 0.949 19.107 19.000 -1.404 0.000 1.198 186 A HN 0.541 nan 8.150 nan 0.000 0.484 187 T N 2.290 116.570 114.554 -0.455 0.000 2.840 187 T HA 0.356 4.721 4.350 0.025 0.000 0.287 187 T C -0.403 174.085 174.700 -0.353 0.000 0.991 187 T CA -0.469 61.354 62.100 -0.462 0.000 0.964 187 T CB 1.009 69.521 68.868 -0.594 0.000 0.954 187 T HN 0.633 nan 8.240 nan 0.000 0.438 188 K N 3.709 123.985 120.400 -0.206 0.000 2.264 188 K HA 0.420 4.755 4.320 0.025 0.000 0.277 188 K C -1.223 175.023 176.600 -0.590 0.000 1.067 188 K CA -0.542 55.532 56.287 -0.355 0.000 0.900 188 K CB 0.238 32.471 32.500 -0.445 0.000 1.124 188 K HN 0.395 nan 8.250 nan 0.000 0.469 189 F N 4.357 124.003 119.950 -0.507 0.000 2.391 189 F HA 0.226 4.768 4.527 0.025 0.000 0.359 189 F C -0.421 175.169 175.800 -0.351 0.000 1.122 189 F CA -0.603 57.166 58.000 -0.384 0.000 1.120 189 F CB 0.680 39.366 39.000 -0.524 0.000 1.142 189 F HN 0.440 nan 8.300 nan 0.000 0.483 190 Y N 1.884 122.246 120.300 0.103 0.000 2.691 190 Y HA 0.217 4.781 4.550 0.024 0.000 0.338 190 Y C 1.009 176.969 175.900 0.100 0.000 1.148 190 Y CA -0.843 57.298 58.100 0.069 0.000 1.430 190 Y CB -0.082 38.407 38.460 0.047 0.000 1.303 190 Y HN 0.532 nan 8.280 nan 0.000 0.499 191 T N -2.158 112.496 114.554 0.167 0.000 2.874 191 T HA 0.174 4.539 4.350 0.025 0.000 0.281 191 T C 0.986 175.782 174.700 0.159 0.000 0.994 191 T CA -0.690 61.512 62.100 0.170 0.000 1.015 191 T CB 1.105 70.048 68.868 0.124 0.000 1.028 191 T HN 0.659 nan 8.240 nan 0.000 0.523 192 E N 0.149 120.446 120.200 0.161 0.000 2.418 192 E HA -0.043 4.322 4.350 0.025 0.000 0.197 192 E C 1.114 177.780 176.600 0.111 0.000 1.026 192 E CA 0.699 57.176 56.400 0.128 0.000 0.862 192 E CB 0.135 29.906 29.700 0.119 0.000 0.799 192 E HN 0.738 nan 8.360 nan 0.000 0.518 193 E N 0.174 120.444 120.200 0.116 0.000 2.558 193 E HA 0.243 4.608 4.350 0.025 0.000 0.205 193 E C 0.163 176.813 176.600 0.084 0.000 1.006 193 E CA -0.204 56.256 56.400 0.100 0.000 0.961 193 E CB 1.210 30.971 29.700 0.101 0.000 1.044 193 E HN 0.185 nan 8.360 nan 0.000 0.465 194 G N 1.105 109.951 108.800 0.076 0.000 2.392 194 G HA2 -0.114 3.861 3.960 0.025 0.000 0.677 194 G HA3 -0.114 3.861 3.960 0.025 0.000 0.677 194 G C -0.905 174.008 174.900 0.022 0.000 1.334 194 G CA -1.123 43.999 45.100 0.038 0.000 0.961 194 G HN 0.015 nan 8.290 nan 0.000 0.616 195 I N 0.672 121.219 120.570 -0.038 0.000 2.556 195 I HA 0.354 4.539 4.170 0.025 0.000 0.284 195 I C 0.140 176.269 176.117 0.020 0.000 1.114 195 I CA 0.072 61.322 61.300 -0.083 0.000 1.418 195 I CB 0.615 38.494 38.000 -0.202 0.000 1.394 195 I HN 0.465 nan 8.210 nan 0.000 0.552 196 F N 6.840 126.688 119.950 -0.170 0.000 2.449 196 F HA 0.443 4.985 4.527 0.025 0.000 0.342 196 F C -0.556 175.209 175.800 -0.059 0.000 1.127 196 F CA -1.237 56.663 58.000 -0.168 0.000 0.975 196 F CB 0.780 39.523 39.000 -0.429 0.000 1.146 196 F HN 0.349 nan 8.300 nan 0.000 0.444 197 D N 6.990 127.199 120.400 -0.318 0.000 2.303 197 D HA 0.267 4.922 4.640 0.025 0.000 0.236 197 D C -0.717 175.122 176.300 -0.768 0.000 1.068 197 D CA 0.024 53.771 54.000 -0.422 0.000 0.830 197 D CB 2.327 43.078 40.800 -0.081 0.000 1.109 197 D HN 0.630 nan 8.370 nan 0.000 0.496 198 L N 3.040 123.765 121.223 -0.830 0.000 2.283 198 L HA 0.301 4.655 4.340 0.025 0.000 0.281 198 L C -0.976 175.664 176.870 -0.382 0.000 1.033 198 L CA -0.638 53.780 54.840 -0.704 0.000 0.848 198 L CB 0.832 42.484 42.059 -0.678 0.000 1.226 198 L HN 0.058 nan 8.230 nan 0.000 0.429 199 V N 5.490 125.219 119.914 -0.309 0.000 2.240 199 V HA 0.499 4.634 4.120 0.025 0.000 0.265 199 V C 0.767 176.756 176.094 -0.175 0.000 1.073 199 V CA -0.284 61.846 62.300 -0.283 0.000 0.857 199 V CB 0.573 32.179 31.823 -0.361 0.000 1.114 199 V HN 0.827 nan 8.190 nan 0.000 0.469 200 G N 3.129 111.843 108.800 -0.144 0.000 2.820 200 G HA2 0.662 4.637 3.960 0.025 0.000 0.291 200 G HA3 0.662 4.637 3.960 0.025 0.000 0.291 200 G C -0.857 174.068 174.900 0.043 0.000 1.323 200 G CA -0.585 44.489 45.100 -0.044 0.000 1.055 200 G HN 0.477 nan 8.290 nan 0.000 0.520 201 N N -1.039 117.732 118.700 0.118 0.000 2.761 201 N HA 0.249 5.004 4.740 0.025 0.000 0.283 201 N C 0.308 176.004 175.510 0.309 0.000 1.377 201 N CA -0.762 52.417 53.050 0.215 0.000 0.791 201 N CB 1.401 39.998 38.487 0.183 0.000 1.540 201 N HN 0.524 nan 8.380 nan 0.000 0.539 202 N N -1.358 117.541 118.700 0.331 0.000 2.314 202 N HA -0.003 4.752 4.740 0.025 0.000 0.200 202 N C -0.427 175.338 175.510 0.426 0.000 1.135 202 N CA -0.091 53.215 53.050 0.426 0.000 0.835 202 N CB -0.150 38.562 38.487 0.375 0.000 0.989 202 N HN 0.554 nan 8.380 nan 0.000 0.478 203 T N -3.563 111.049 114.554 0.097 0.000 2.916 203 T HA 0.472 4.837 4.350 0.025 0.000 0.292 203 T C -2.639 171.419 174.700 -1.069 0.000 1.055 203 T CA -1.620 60.082 62.100 -0.663 0.000 1.009 203 T CB 2.968 71.343 68.868 -0.820 0.000 1.118 203 T HN -0.221 nan 8.240 nan 0.000 0.497 204 P HA 0.239 nan 4.420 nan 0.000 0.257 204 P C 0.268 177.060 177.300 -0.847 0.000 1.281 204 P CA -0.030 62.206 63.100 -1.439 0.000 0.826 204 P CB -0.097 30.680 31.700 -1.538 0.000 1.237 205 I N -4.375 115.673 120.570 -0.869 0.000 3.354 205 I HA 0.567 4.752 4.170 0.025 0.000 0.316 205 I C -1.617 174.223 176.117 -0.462 0.000 1.182 205 I CA -1.933 58.996 61.300 -0.619 0.000 0.942 205 I CB 1.498 39.083 38.000 -0.691 0.000 1.299 205 I HN -0.238 nan 8.210 nan 0.000 0.473 206 F N 0.116 119.767 119.950 -0.497 0.000 2.631 206 F HA 0.522 5.064 4.527 0.025 0.000 0.328 206 F C 0.249 175.793 175.800 -0.428 0.000 1.067 206 F CA -0.754 56.990 58.000 -0.427 0.000 0.969 206 F CB 2.073 40.956 39.000 -0.194 0.000 1.332 206 F HN 0.389 nan 8.300 nan 0.000 0.490 207 F N 2.397 121.504 119.950 -1.406 0.000 2.293 207 F HA 0.019 4.561 4.527 0.025 0.000 0.300 207 F C 0.696 176.199 175.800 -0.494 0.000 1.086 207 F CA 0.882 58.298 58.000 -0.973 0.000 1.375 207 F CB -0.134 37.870 39.000 -1.660 0.000 1.045 207 F HN 0.156 nan 8.300 nan 0.000 0.516 208 I N -3.547 116.997 120.570 -0.044 0.000 3.002 208 I HA 0.370 4.555 4.170 0.025 0.000 0.310 208 I C 0.356 176.624 176.117 0.252 0.000 1.087 208 I CA -0.843 60.553 61.300 0.159 0.000 1.017 208 I CB 1.894 40.053 38.000 0.264 0.000 1.226 208 I HN -0.187 nan 8.210 nan 0.000 0.443 209 Q N 0.277 120.224 119.800 0.244 0.000 2.324 209 Q HA 0.153 4.508 4.340 0.025 0.000 0.207 209 Q C -0.305 175.873 176.000 0.297 0.000 0.928 209 Q CA 0.615 56.603 55.803 0.307 0.000 0.890 209 Q CB 0.512 29.504 28.738 0.424 0.000 1.001 209 Q HN 0.642 nan 8.270 nan 0.000 0.517 210 D N -1.046 119.499 120.400 0.243 0.000 2.505 210 D HA 0.305 4.960 4.640 0.025 0.000 0.249 210 D C 0.028 176.457 176.300 0.215 0.000 1.082 210 D CA -0.192 53.921 54.000 0.188 0.000 0.839 210 D CB 1.851 42.734 40.800 0.137 0.000 1.317 210 D HN 0.060 nan 8.370 nan 0.000 0.497 211 A N 3.452 126.370 122.820 0.163 0.000 2.024 211 A HA -0.253 4.082 4.320 0.025 0.000 0.220 211 A C 1.789 179.497 177.584 0.206 0.000 1.164 211 A CA 1.697 53.825 52.037 0.153 0.000 0.643 211 A CB -0.751 18.284 19.000 0.057 0.000 0.806 211 A HN 0.811 nan 8.150 nan 0.000 0.451 212 H N 0.023 119.152 119.070 0.097 0.000 2.457 212 H HA -0.022 4.549 4.556 0.025 0.000 0.297 212 H C 1.544 176.950 175.328 0.130 0.000 1.092 212 H CA 1.874 57.972 56.048 0.085 0.000 1.309 212 H CB 0.040 29.828 29.762 0.044 0.000 1.382 212 H HN 0.419 nan 8.280 nan 0.000 0.535 213 K N -0.664 119.862 120.400 0.209 0.000 2.404 213 K HA -0.034 4.301 4.320 0.025 0.000 0.194 213 K C 1.338 178.075 176.600 0.227 0.000 1.023 213 K CA -0.019 56.385 56.287 0.195 0.000 1.094 213 K CB 0.068 32.737 32.500 0.282 0.000 0.841 213 K HN 0.298 nan 8.250 nan 0.000 0.523 214 F N 2.814 122.820 119.950 0.093 0.000 2.134 214 F HA -0.115 4.426 4.527 0.024 0.000 0.299 214 F C -1.043 174.774 175.800 0.028 0.000 1.097 214 F CA 1.133 59.218 58.000 0.142 0.000 1.264 214 F CB -0.331 38.737 39.000 0.114 0.000 1.001 214 F HN 0.016 nan 8.300 nan 0.000 0.479 215 P HA -0.125 nan 4.420 nan 0.000 0.218 215 P C 0.954 177.932 177.300 -0.535 0.000 1.149 215 P CA 1.582 64.440 63.100 -0.404 0.000 0.817 215 P CB -0.027 31.453 31.700 -0.365 0.000 0.785 216 D N -1.355 118.878 120.400 -0.278 0.000 2.091 216 D HA -0.132 4.523 4.640 0.025 0.000 0.199 216 D C 1.787 177.791 176.300 -0.494 0.000 0.980 216 D CA 0.988 54.862 54.000 -0.210 0.000 0.831 216 D CB -0.819 40.032 40.800 0.085 0.000 0.987 216 D HN 0.130 nan 8.370 nan 0.000 0.460 217 F N 2.024 121.560 119.950 -0.690 0.000 2.069 217 F HA -0.248 4.294 4.527 0.025 0.000 0.298 217 F C 2.284 177.699 175.800 -0.642 0.000 1.113 217 F CA 1.259 58.671 58.000 -0.981 0.000 1.214 217 F CB -0.297 38.351 39.000 -0.586 0.000 0.978 217 F HN -0.248 nan 8.300 nan 0.000 0.474 218 V N 0.433 119.922 119.914 -0.709 0.000 2.332 218 V HA -0.365 3.770 4.120 0.025 0.000 0.248 218 V C 2.318 178.180 176.094 -0.387 0.000 1.055 218 V CA 2.492 64.407 62.300 -0.641 0.000 1.038 218 V CB -1.139 30.340 31.823 -0.574 0.000 0.651 218 V HN 0.489 nan 8.190 nan 0.000 0.450 219 H N -0.236 118.597 119.070 -0.394 0.000 2.387 219 H HA -0.166 4.405 4.556 0.025 0.000 0.299 219 H C 2.336 177.508 175.328 -0.259 0.000 1.099 219 H CA 1.088 56.984 56.048 -0.252 0.000 1.315 219 H CB 0.007 29.671 29.762 -0.164 0.000 1.380 219 H HN 0.495 nan 8.280 nan 0.000 0.513 220 A N 0.433 123.074 122.820 -0.297 0.000 1.902 220 A HA -0.121 4.214 4.320 0.025 0.000 0.217 220 A C 2.532 179.956 177.584 -0.266 0.000 1.181 220 A CA 1.457 53.311 52.037 -0.305 0.000 0.623 220 A CB -0.751 17.943 19.000 -0.510 0.000 0.818 220 A HN 0.303 nan 8.150 nan 0.000 0.443 221 V N -0.248 119.373 119.914 -0.487 0.000 2.591 221 V HA -0.008 4.127 4.120 0.025 0.000 0.249 221 V C 0.909 176.963 176.094 -0.067 0.000 1.053 221 V CA 0.898 62.992 62.300 -0.344 0.000 1.068 221 V CB -0.478 30.934 31.823 -0.685 0.000 0.689 221 V HN 0.328 nan 8.190 nan 0.000 0.462 222 K N 0.942 121.268 120.400 -0.124 0.000 2.187 222 K HA 0.228 4.563 4.320 0.025 0.000 0.247 222 K C -2.301 174.251 176.600 -0.080 0.000 1.019 222 K CA -1.701 54.529 56.287 -0.095 0.000 0.893 222 K CB -0.211 32.225 32.500 -0.106 0.000 1.025 222 K HN 0.165 nan 8.250 nan 0.000 0.500 223 P HA -0.010 nan 4.420 nan 0.000 0.266 223 P C -0.497 176.749 177.300 -0.090 0.000 1.195 223 P CA 0.366 63.336 63.100 -0.217 0.000 0.768 223 P CB 0.392 31.970 31.700 -0.204 0.000 0.838 224 E N 4.691 124.887 120.200 -0.006 0.000 2.383 224 E HA 0.040 4.405 4.350 0.025 0.000 0.264 224 E C -1.372 175.322 176.600 0.156 0.000 1.050 224 E CA -1.434 55.069 56.400 0.172 0.000 0.896 224 E CB 0.224 30.164 29.700 0.400 0.000 0.982 224 E HN 0.417 nan 8.360 nan 0.000 0.424 225 P HA -0.155 nan 4.420 nan 0.000 0.227 225 P C 0.950 178.338 177.300 0.146 0.000 1.161 225 P CA 1.142 64.295 63.100 0.089 0.000 0.788 225 P CB 0.103 31.821 31.700 0.031 0.000 0.822 226 H N -0.276 118.835 119.070 0.068 0.000 2.321 226 H HA -0.101 4.470 4.556 0.025 0.000 0.300 226 H C 1.490 176.922 175.328 0.172 0.000 1.087 226 H CA 1.555 57.631 56.048 0.048 0.000 1.319 226 H CB -1.467 28.253 29.762 -0.070 0.000 1.379 226 H HN 0.307 nan 8.280 nan 0.000 0.501 227 W N -0.089 120.836 121.300 -0.625 0.000 2.871 227 W HA 0.696 5.370 4.660 0.024 0.000 0.340 227 W C 0.509 176.861 176.519 -0.278 0.000 1.058 227 W CA -0.879 56.220 57.345 -0.411 0.000 1.633 227 W CB -0.692 28.494 29.460 -0.457 0.000 1.067 227 W HN 0.463 nan 8.180 nan 0.000 0.554 228 A N 1.251 124.046 122.820 -0.042 0.000 2.734 228 A HA -0.138 4.197 4.320 0.025 0.000 0.296 228 A C -0.420 176.932 177.584 -0.387 0.000 1.474 228 A CA 1.371 53.305 52.037 -0.171 0.000 0.735 228 A CB -2.420 16.509 19.000 -0.118 0.000 1.062 228 A HN 0.453 nan 8.150 nan 0.000 0.463 229 I N 0.362 120.554 120.570 -0.629 0.000 2.730 229 I HA 0.559 4.744 4.170 0.025 0.000 0.298 229 I C -2.481 173.322 176.117 -0.524 0.000 1.089 229 I CA -2.428 58.407 61.300 -0.774 0.000 1.041 229 I CB 2.954 39.997 38.000 -1.595 0.000 1.235 229 I HN 0.204 nan 8.210 nan 0.000 0.423 230 P HA 0.297 nan 4.420 nan 0.000 0.292 230 P C -1.520 175.612 177.300 -0.280 0.000 1.300 230 P CA -0.841 62.033 63.100 -0.376 0.000 0.900 230 P CB 1.604 33.154 31.700 -0.249 0.000 1.139 231 Q N 1.037 120.718 119.800 -0.197 0.000 2.288 231 Q HA 0.470 4.825 4.340 0.025 0.000 0.258 231 Q C 1.118 177.078 176.000 -0.066 0.000 0.957 231 Q CA 1.159 56.886 55.803 -0.127 0.000 0.919 231 Q CB -0.437 28.239 28.738 -0.105 0.000 1.185 231 Q HN 0.827 nan 8.270 nan 0.000 0.408 232 G N 3.388 112.159 108.800 -0.050 0.000 2.176 232 G HA2 -0.276 3.699 3.960 0.025 0.000 0.252 232 G HA3 -0.276 3.699 3.960 0.025 0.000 0.252 232 G C -0.460 174.451 174.900 0.020 0.000 1.024 232 G CA 0.426 45.523 45.100 -0.005 0.000 0.755 232 G HN 0.547 nan 8.290 nan 0.000 0.507 233 Q N -0.980 118.816 119.800 -0.007 0.000 2.309 233 Q HA 0.558 4.913 4.340 0.025 0.000 0.273 233 Q C 0.678 176.684 176.000 0.011 0.000 1.040 233 Q CA -0.159 55.667 55.803 0.039 0.000 0.834 233 Q CB 1.807 30.614 28.738 0.115 0.000 1.345 233 Q HN 0.476 nan 8.270 nan 0.000 0.414 234 S N -0.507 115.094 115.700 -0.166 0.000 2.575 234 S HA 0.218 4.703 4.470 0.025 0.000 0.215 234 S C 0.862 175.393 174.600 -0.114 0.000 0.966 234 S CA -0.014 57.856 58.200 -0.550 0.000 0.911 234 S CB 0.323 62.628 63.200 -1.492 0.000 0.780 234 S HN 0.599 nan 8.310 nan 0.000 0.514 235 A N 2.321 125.274 122.820 0.221 0.000 3.063 235 A HA 0.539 4.873 4.320 0.025 0.000 0.263 235 A C 0.086 177.907 177.584 0.396 0.000 1.736 235 A CA -0.594 51.660 52.037 0.361 0.000 1.408 235 A CB -1.198 17.942 19.000 0.233 0.000 1.108 235 A HN 0.897 nan 8.150 nan 0.000 0.621 236 H N -3.487 115.784 119.070 0.336 0.000 3.014 236 H HA 0.481 5.052 4.556 0.025 0.000 0.337 236 H C -0.293 175.235 175.328 0.332 0.000 1.320 236 H CA -0.740 55.464 56.048 0.261 0.000 1.128 236 H CB 0.251 30.124 29.762 0.184 0.000 1.862 236 H HN 0.070 nan 8.280 nan 0.000 0.536 237 D N 0.278 120.849 120.400 0.285 0.000 2.116 237 D HA -0.211 4.444 4.640 0.025 0.000 0.193 237 D C 2.099 178.464 176.300 0.107 0.000 0.998 237 D CA 3.136 57.240 54.000 0.174 0.000 0.836 237 D CB -0.381 40.496 40.800 0.129 0.000 0.951 237 D HN 0.787 nan 8.370 nan 0.000 0.449 238 T N -1.691 112.921 114.554 0.097 0.000 2.867 238 T HA -0.182 4.183 4.350 0.025 0.000 0.268 238 T C 1.893 176.538 174.700 -0.092 0.000 1.057 238 T CA 0.637 62.761 62.100 0.039 0.000 1.136 238 T CB -0.678 68.259 68.868 0.115 0.000 0.874 238 T HN 0.171 nan 8.240 nan 0.000 0.466 239 F N 0.684 120.333 119.950 -0.502 0.000 2.084 239 F HA 0.100 4.642 4.527 0.025 0.000 0.296 239 F C 1.827 177.381 175.800 -0.409 0.000 1.111 239 F CA 0.679 58.313 58.000 -0.609 0.000 1.224 239 F CB -0.548 37.893 39.000 -0.932 0.000 0.991 239 F HN 0.138 nan 8.300 nan 0.000 0.471 240 W N 0.600 121.828 121.300 -0.119 0.000 2.467 240 W HA -0.056 4.619 4.660 0.025 0.000 0.275 240 W C 2.266 178.705 176.519 -0.134 0.000 1.239 240 W CA 0.959 58.223 57.345 -0.133 0.000 1.266 240 W CB -0.553 28.920 29.460 0.020 0.000 1.112 240 W HN 0.070 nan 8.180 nan 0.000 0.576 241 D N -0.543 119.904 120.400 0.078 0.000 2.092 241 D HA -0.298 4.357 4.640 0.025 0.000 0.193 241 D C 1.878 178.182 176.300 0.006 0.000 0.994 241 D CA 1.561 55.587 54.000 0.042 0.000 0.828 241 D CB -0.583 40.251 40.800 0.055 0.000 0.963 241 D HN 0.168 nan 8.370 nan 0.000 0.450 242 Y N 0.600 120.799 120.300 -0.168 0.000 2.053 242 Y HA -0.265 4.300 4.550 0.025 0.000 0.277 242 Y C 2.375 178.143 175.900 -0.221 0.000 1.159 242 Y CA 1.853 59.837 58.100 -0.193 0.000 1.125 242 Y CB -0.589 37.718 38.460 -0.255 0.000 0.969 242 Y HN -0.105 nan 8.280 nan 0.000 0.492 243 V N 0.220 120.012 119.914 -0.202 0.000 2.317 243 V HA -0.390 3.745 4.120 0.025 0.000 0.251 243 V C 2.608 178.648 176.094 -0.090 0.000 1.065 243 V CA 2.363 64.535 62.300 -0.213 0.000 1.049 243 V CB -1.341 30.255 31.823 -0.378 0.000 0.651 243 V HN 0.691 nan 8.190 nan 0.000 0.450 244 S N -0.414 115.275 115.700 -0.018 0.000 2.419 244 S HA -0.069 4.416 4.470 0.025 0.000 0.233 244 S C 1.685 176.256 174.600 -0.047 0.000 1.016 244 S CA 1.432 59.646 58.200 0.023 0.000 0.974 244 S CB -0.419 62.822 63.200 0.068 0.000 0.786 244 S HN 0.572 nan 8.310 nan 0.000 0.492 245 L N -0.070 121.074 121.223 -0.132 0.000 2.640 245 L HA 0.339 4.694 4.340 0.025 0.000 0.230 245 L C 0.478 177.180 176.870 -0.279 0.000 1.123 245 L CA 0.083 54.819 54.840 -0.173 0.000 0.900 245 L CB 0.104 42.057 42.059 -0.176 0.000 1.146 245 L HN 0.250 nan 8.230 nan 0.000 0.484 246 Q N 0.391 119.985 119.800 -0.344 0.000 3.244 246 Q HA 0.229 4.584 4.340 0.025 0.000 0.249 246 Q C -1.972 173.806 176.000 -0.371 0.000 0.951 246 Q CA -1.341 54.210 55.803 -0.420 0.000 0.740 246 Q CB 1.512 29.879 28.738 -0.619 0.000 1.334 246 Q HN 0.016 nan 8.270 nan 0.000 0.448 247 P HA -0.198 nan 4.420 nan 0.000 0.225 247 P C 0.961 177.937 177.300 -0.541 0.000 1.148 247 P CA 0.967 63.811 63.100 -0.426 0.000 0.779 247 P CB 0.272 31.705 31.700 -0.444 0.000 0.780 248 E N 0.842 120.566 120.200 -0.792 0.000 2.273 248 E HA -0.197 4.168 4.350 0.025 0.000 0.198 248 E C 1.465 177.999 176.600 -0.109 0.000 1.002 248 E CA 1.908 58.098 56.400 -0.349 0.000 0.828 248 E CB -1.350 28.233 29.700 -0.196 0.000 0.747 248 E HN 0.287 nan 8.360 nan 0.000 0.491 249 T N -0.795 113.699 114.554 -0.099 0.000 3.072 249 T HA 0.025 4.390 4.350 0.025 0.000 0.266 249 T C 1.893 176.646 174.700 0.089 0.000 1.127 249 T CA 0.399 62.509 62.100 0.018 0.000 1.107 249 T CB -0.264 68.639 68.868 0.059 0.000 0.910 249 T HN 0.150 nan 8.240 nan 0.000 0.513 250 L N -0.108 121.175 121.223 0.100 0.000 2.141 250 L HA -0.002 4.353 4.340 0.025 0.000 0.209 250 L C 2.827 179.864 176.870 0.279 0.000 1.094 250 L CA 1.469 56.444 54.840 0.226 0.000 0.763 250 L CB -0.716 41.495 42.059 0.252 0.000 0.908 250 L HN 0.460 nan 8.230 nan 0.000 0.437 251 H N 0.081 119.198 119.070 0.079 0.000 2.293 251 H HA -0.212 4.359 4.556 0.025 0.000 0.300 251 H C 2.118 177.444 175.328 -0.003 0.000 1.082 251 H CA 1.845 57.936 56.048 0.073 0.000 1.308 251 H CB 0.238 30.010 29.762 0.017 0.000 1.375 251 H HN 0.364 nan 8.280 nan 0.000 0.495 252 N N -0.141 118.374 118.700 -0.308 0.000 2.309 252 N HA -0.119 4.636 4.740 0.025 0.000 0.182 252 N C 1.924 177.249 175.510 -0.308 0.000 1.018 252 N CA 0.615 53.255 53.050 -0.683 0.000 0.876 252 N CB 0.303 37.930 38.487 -1.435 0.000 0.972 252 N HN 0.118 nan 8.380 nan 0.000 0.434 253 V N 1.669 121.626 119.914 0.072 0.000 2.343 253 V HA -0.261 3.874 4.120 0.025 0.000 0.247 253 V C 2.516 178.739 176.094 0.215 0.000 1.051 253 V CA 1.274 63.761 62.300 0.313 0.000 1.036 253 V CB -0.372 31.690 31.823 0.398 0.000 0.654 253 V HN 0.402 nan 8.190 nan 0.000 0.451 254 M N -1.542 118.226 119.600 0.280 0.000 2.082 254 M HA -0.233 4.262 4.480 0.025 0.000 0.258 254 M C 2.085 178.381 176.300 -0.007 0.000 1.069 254 M CA 1.976 57.443 55.300 0.278 0.000 1.102 254 M CB -1.290 31.504 32.600 0.325 0.000 1.336 254 M HN 0.472 nan 8.290 nan 0.000 0.404 255 W N 0.416 121.439 121.300 -0.461 0.000 2.338 255 W HA -0.130 4.545 4.660 0.025 0.000 0.304 255 W C 2.780 179.227 176.519 -0.119 0.000 1.212 255 W CA 1.957 59.010 57.345 -0.488 0.000 1.264 255 W CB -0.947 28.159 29.460 -0.589 0.000 1.142 255 W HN 0.303 nan 8.180 nan 0.000 0.512 256 A N -0.987 121.915 122.820 0.136 0.000 1.968 256 A HA -0.135 4.200 4.320 0.025 0.000 0.217 256 A C 1.907 179.544 177.584 0.090 0.000 1.169 256 A CA 1.378 53.502 52.037 0.144 0.000 0.638 256 A CB -0.500 18.620 19.000 0.200 0.000 0.812 256 A HN 0.086 nan 8.150 nan 0.000 0.446 257 M N 0.642 120.252 119.600 0.017 0.000 2.419 257 M HA 0.028 4.523 4.480 0.025 0.000 0.264 257 M C 1.439 177.785 176.300 0.076 0.000 1.082 257 M CA 0.673 55.922 55.300 -0.085 0.000 1.119 257 M CB -1.296 30.985 32.600 -0.532 0.000 1.398 257 M HN 0.525 nan 8.290 nan 0.000 0.453 258 S N 0.316 116.120 115.700 0.172 0.000 2.624 258 S HA 0.077 4.562 4.470 0.025 0.000 0.263 258 S C 0.716 175.452 174.600 0.226 0.000 1.287 258 S CA -0.449 57.897 58.200 0.243 0.000 0.990 258 S CB 0.965 64.363 63.200 0.330 0.000 0.950 258 S HN 0.199 nan 8.310 nan 0.000 0.561 259 D N 0.456 121.008 120.400 0.254 0.000 2.384 259 D HA -0.025 4.630 4.640 0.025 0.000 0.222 259 D C 1.851 178.300 176.300 0.249 0.000 0.976 259 D CA 0.415 54.584 54.000 0.283 0.000 0.915 259 D CB -0.166 40.869 40.800 0.392 0.000 0.896 259 D HN 0.414 nan 8.370 nan 0.000 0.523 260 R N 0.214 120.853 120.500 0.232 0.000 2.127 260 R HA -0.081 4.274 4.340 0.025 0.000 0.238 260 R C 2.114 178.575 176.300 0.267 0.000 1.134 260 R CA 1.110 57.373 56.100 0.271 0.000 0.975 260 R CB -0.868 29.655 30.300 0.372 0.000 0.865 260 R HN 0.209 nan 8.270 nan 0.000 0.447 261 G N 1.289 110.234 108.800 0.242 0.000 2.679 261 G HA2 -0.033 3.942 3.960 0.025 0.000 0.212 261 G HA3 -0.033 3.942 3.960 0.025 0.000 0.212 261 G C 1.027 176.072 174.900 0.242 0.000 1.137 261 G CA 0.128 45.363 45.100 0.224 0.000 0.787 261 G HN 0.425 nan 8.290 nan 0.000 0.534 262 I N -1.972 118.750 120.570 0.254 0.000 2.925 262 I HA 0.366 4.551 4.170 0.025 0.000 0.296 262 I C -2.857 173.415 176.117 0.259 0.000 1.413 262 I CA -2.652 58.804 61.300 0.260 0.000 0.932 262 I CB 1.780 39.938 38.000 0.262 0.000 1.873 262 I HN -0.265 nan 8.210 nan 0.000 0.619 263 P HA 0.102 nan 4.420 nan 0.000 0.272 263 P C 0.508 177.944 177.300 0.228 0.000 1.223 263 P CA -0.214 62.995 63.100 0.181 0.000 0.784 263 P CB 1.309 33.050 31.700 0.068 0.000 0.923 264 R N 1.736 122.353 120.500 0.195 0.000 2.115 264 R HA 0.024 4.379 4.340 0.025 0.000 0.230 264 R C 0.410 176.848 176.300 0.230 0.000 1.111 264 R CA 1.387 57.651 56.100 0.273 0.000 0.976 264 R CB -0.411 30.014 30.300 0.209 0.000 0.870 264 R HN 0.549 nan 8.270 nan 0.000 0.445 265 S N -2.648 112.985 115.700 -0.112 0.000 2.565 265 S HA 0.208 4.693 4.470 0.025 0.000 0.274 265 S C -0.379 173.920 174.600 -0.502 0.000 1.144 265 S CA -0.861 57.115 58.200 -0.372 0.000 0.849 265 S CB 0.101 63.216 63.200 -0.142 0.000 1.103 265 S HN 0.106 nan 8.310 nan 0.000 0.455 266 Y N 2.318 122.241 120.300 -0.629 0.000 2.403 266 Y HA 0.071 4.636 4.550 0.025 0.000 0.291 266 Y C 2.341 177.872 175.900 -0.615 0.000 1.143 266 Y CA 1.036 58.631 58.100 -0.842 0.000 1.257 266 Y CB -0.309 37.218 38.460 -1.556 0.000 0.984 266 Y HN 0.570 nan 8.280 nan 0.000 0.550 267 R N -0.521 119.840 120.500 -0.231 0.000 2.235 267 R HA -0.034 4.321 4.340 0.025 0.000 0.213 267 R C 1.043 177.307 176.300 -0.060 0.000 1.059 267 R CA 1.499 57.526 56.100 -0.121 0.000 0.997 267 R CB -0.383 29.838 30.300 -0.133 0.000 0.884 267 R HN 0.329 nan 8.270 nan 0.000 0.462 268 T N -1.879 112.655 114.554 -0.034 0.000 3.355 268 T HA 0.351 4.716 4.350 0.025 0.000 0.276 268 T C 0.164 174.909 174.700 0.075 0.000 1.003 268 T CA -0.696 61.414 62.100 0.015 0.000 0.943 268 T CB -0.069 68.791 68.868 -0.013 0.000 1.158 268 T HN 0.070 nan 8.240 nan 0.000 0.513 269 M N -1.144 118.542 119.600 0.144 0.000 2.644 269 M HA 0.738 5.233 4.480 0.025 0.000 0.304 269 M C -1.023 175.460 176.300 0.305 0.000 1.215 269 M CA -0.914 54.513 55.300 0.211 0.000 0.871 269 M CB 2.064 34.786 32.600 0.202 0.000 1.740 269 M HN -0.153 nan 8.290 nan 0.000 0.464 270 E N 0.386 120.768 120.200 0.304 0.000 2.345 270 E HA 0.613 4.978 4.350 0.025 0.000 0.259 270 E C -0.258 176.432 176.600 0.149 0.000 1.117 270 E CA -0.404 56.111 56.400 0.192 0.000 0.913 270 E CB 1.539 31.285 29.700 0.076 0.000 1.057 270 E HN 0.848 nan 8.360 nan 0.000 0.432 271 G N 0.814 109.539 108.800 -0.125 0.000 2.481 271 G HA2 0.632 4.607 3.960 0.025 0.000 0.315 271 G HA3 0.632 4.607 3.960 0.025 0.000 0.315 271 G C -1.435 173.042 174.900 -0.704 0.000 1.231 271 G CA -0.451 44.559 45.100 -0.151 0.000 0.968 271 G HN 0.293 nan 8.290 nan 0.000 0.482 272 F N -0.608 119.287 119.950 -0.092 0.000 2.601 272 F HA 0.520 5.062 4.527 0.025 0.000 0.309 272 F C 1.002 176.705 175.800 -0.161 0.000 1.089 272 F CA -0.612 57.247 58.000 -0.235 0.000 0.940 272 F CB 2.613 41.425 39.000 -0.312 0.000 1.273 272 F HN 0.593 nan 8.300 nan 0.000 0.450 273 G N -0.612 108.244 108.800 0.093 0.000 3.042 273 G HA2 0.219 4.194 3.960 0.025 0.000 0.212 273 G HA3 0.219 4.194 3.960 0.025 0.000 0.212 273 G C 0.683 175.670 174.900 0.145 0.000 1.166 273 G CA 0.574 45.780 45.100 0.177 0.000 0.767 273 G HN 1.010 nan 8.290 nan 0.000 0.546 274 C N -1.168 118.104 119.300 -0.046 0.000 5.885 274 C HA -0.169 4.305 4.460 0.025 0.000 0.327 274 C C 0.761 175.471 174.990 -0.467 0.000 2.426 274 C CA 0.726 59.543 59.018 -0.335 0.000 2.190 274 C CB -2.011 25.426 27.740 -0.504 0.000 3.229 274 C HN 0.589 nan 8.230 nan 0.000 0.266 275 H N 0.257 119.361 119.070 0.055 0.000 2.670 275 H HA 0.463 5.034 4.556 0.025 0.000 0.361 275 H C -0.076 175.213 175.328 -0.066 0.000 1.169 275 H CA 0.101 56.089 56.048 -0.100 0.000 1.198 275 H CB 0.903 30.452 29.762 -0.356 0.000 1.700 275 H HN 0.313 nan 8.280 nan 0.000 0.542 276 T N 3.141 117.686 114.554 -0.016 0.000 2.817 276 T HA 0.147 4.512 4.350 0.025 0.000 0.295 276 T C 0.248 174.893 174.700 -0.091 0.000 0.958 276 T CA 0.421 62.498 62.100 -0.038 0.000 1.157 276 T CB -0.378 68.422 68.868 -0.114 0.000 0.898 276 T HN 0.215 nan 8.240 nan 0.000 0.536 277 F N 1.248 121.152 119.950 -0.077 0.000 2.629 277 F HA 0.655 5.197 4.527 0.025 0.000 0.386 277 F C 1.084 176.832 175.800 -0.086 0.000 1.135 277 F CA -1.394 56.584 58.000 -0.036 0.000 1.116 277 F CB 1.333 40.299 39.000 -0.056 0.000 1.426 277 F HN 0.197 nan 8.300 nan 0.000 0.501 278 R N 0.566 121.117 120.500 0.085 0.000 2.670 278 R HA 0.622 4.977 4.340 0.025 0.000 0.289 278 R C -1.580 174.602 176.300 -0.197 0.000 0.965 278 R CA -0.845 55.169 56.100 -0.144 0.000 0.899 278 R CB 1.955 32.098 30.300 -0.262 0.000 1.173 278 R HN 0.409 nan 8.270 nan 0.000 0.456 279 L N 3.341 124.402 121.223 -0.271 0.000 2.343 279 L HA 0.543 4.898 4.340 0.025 0.000 0.275 279 L C -0.359 176.351 176.870 -0.266 0.000 1.056 279 L CA -0.928 53.761 54.840 -0.252 0.000 0.804 279 L CB 1.132 43.051 42.059 -0.233 0.000 1.203 279 L HN 0.369 nan 8.230 nan 0.000 0.440 280 I N 2.394 122.832 120.570 -0.220 0.000 2.478 280 I HA 0.264 4.449 4.170 0.025 0.000 0.287 280 I C -0.373 175.654 176.117 -0.150 0.000 1.042 280 I CA -0.705 60.468 61.300 -0.212 0.000 1.067 280 I CB 1.459 39.340 38.000 -0.198 0.000 1.233 280 I HN 0.637 nan 8.210 nan 0.000 0.431 281 N N 4.835 123.461 118.700 -0.124 0.000 2.448 281 N HA 0.424 5.179 4.740 0.025 0.000 0.274 281 N C 0.851 176.319 175.510 -0.070 0.000 1.239 281 N CA -0.339 52.658 53.050 -0.088 0.000 0.982 281 N CB 0.608 39.052 38.487 -0.071 0.000 1.199 281 N HN 0.510 nan 8.380 nan 0.000 0.576 282 A N -0.463 122.326 122.820 -0.053 0.000 1.972 282 A HA -0.121 4.214 4.320 0.025 0.000 0.219 282 A C 1.528 179.091 177.584 -0.035 0.000 1.169 282 A CA 1.384 53.396 52.037 -0.042 0.000 0.635 282 A CB -0.792 18.189 19.000 -0.031 0.000 0.810 282 A HN 0.748 nan 8.150 nan 0.000 0.446 283 E N -1.350 118.830 120.200 -0.032 0.000 2.482 283 E HA 0.261 4.626 4.350 0.025 0.000 0.196 283 E C 1.246 177.836 176.600 -0.017 0.000 1.047 283 E CA 0.796 57.182 56.400 -0.023 0.000 0.869 283 E CB -0.182 29.505 29.700 -0.021 0.000 0.836 283 E HN 0.770 nan 8.360 nan 0.000 0.520 284 G N 1.087 109.873 108.800 -0.023 0.000 2.141 284 G HA2 -0.352 3.623 3.960 0.025 0.000 0.231 284 G HA3 -0.352 3.623 3.960 0.025 0.000 0.231 284 G C 0.240 175.158 174.900 0.031 0.000 0.984 284 G CA 0.260 45.365 45.100 0.008 0.000 0.660 284 G HN 0.283 nan 8.290 nan 0.000 0.525 285 K N 0.743 121.122 120.400 -0.036 0.000 2.249 285 K HA 0.686 5.020 4.320 0.025 0.000 0.280 285 K C 0.593 177.056 176.600 -0.229 0.000 1.033 285 K CA 0.174 56.415 56.287 -0.077 0.000 0.946 285 K CB 0.666 33.121 32.500 -0.075 0.000 1.005 285 K HN 0.621 nan 8.250 nan 0.000 0.469 286 A N 3.353 125.914 122.820 -0.432 0.000 2.301 286 A HA 0.423 4.758 4.320 0.025 0.000 0.312 286 A C -0.759 176.506 177.584 -0.532 0.000 1.182 286 A CA -0.528 51.089 52.037 -0.700 0.000 0.826 286 A CB 1.043 19.201 19.000 -1.404 0.000 1.134 286 A HN 0.745 nan 8.150 nan 0.000 0.501 287 T N 2.223 116.507 114.554 -0.451 0.000 2.841 287 T HA 0.545 4.910 4.350 0.025 0.000 0.283 287 T C -0.601 173.878 174.700 -0.369 0.000 1.000 287 T CA -0.100 61.790 62.100 -0.350 0.000 0.977 287 T CB 0.536 69.295 68.868 -0.182 0.000 0.979 287 T HN 0.335 nan 8.240 nan 0.000 0.446 288 F N 1.961 121.816 119.950 -0.158 0.000 2.471 288 F HA 0.514 5.056 4.527 0.025 0.000 0.353 288 F C 0.553 176.236 175.800 -0.194 0.000 1.113 288 F CA -0.422 57.480 58.000 -0.163 0.000 1.262 288 F CB 0.703 39.626 39.000 -0.127 0.000 1.146 288 F HN 0.194 nan 8.300 nan 0.000 0.578 289 V N 4.870 124.748 119.914 -0.060 0.000 2.760 289 V HA 0.590 4.725 4.120 0.025 0.000 0.309 289 V C -0.939 174.935 176.094 -0.367 0.000 1.077 289 V CA -0.759 61.357 62.300 -0.307 0.000 0.910 289 V CB 1.970 33.394 31.823 -0.664 0.000 1.008 289 V HN 0.767 nan 8.190 nan 0.000 0.424 290 R N 4.793 125.132 120.500 -0.268 0.000 2.514 290 R HA 0.565 4.920 4.340 0.025 0.000 0.301 290 R C -1.558 174.651 176.300 -0.152 0.000 0.962 290 R CA -0.469 55.500 56.100 -0.219 0.000 0.882 290 R CB 2.008 32.309 30.300 0.001 0.000 1.143 290 R HN 0.595 nan 8.270 nan 0.000 0.452 291 F N 1.810 121.801 119.950 0.069 0.000 2.385 291 F HA 0.369 4.911 4.527 0.025 0.000 0.336 291 F C 0.975 176.736 175.800 -0.064 0.000 1.100 291 F CA -0.101 57.909 58.000 0.016 0.000 1.116 291 F CB 0.899 39.789 39.000 -0.184 0.000 1.166 291 F HN 0.204 nan 8.300 nan 0.000 0.511 292 H N 0.664 119.730 119.070 -0.006 0.000 2.768 292 H HA 0.259 4.830 4.556 0.025 0.000 0.371 292 H C -1.579 173.517 175.328 -0.386 0.000 1.151 292 H CA -0.980 54.953 56.048 -0.193 0.000 1.165 292 H CB 2.029 31.766 29.762 -0.041 0.000 1.722 292 H HN 0.667 nan 8.280 nan 0.000 0.543 293 W N 2.233 123.423 121.300 -0.183 0.000 2.538 293 W HA 0.318 4.993 4.660 0.025 0.000 0.322 293 W C -0.157 176.398 176.519 0.061 0.000 1.028 293 W CA -0.770 56.536 57.345 -0.065 0.000 1.228 293 W CB 1.801 31.067 29.460 -0.324 0.000 1.356 293 W HN 0.271 nan 8.180 nan 0.000 0.452 294 K N 5.686 126.357 120.400 0.451 0.000 2.213 294 K HA 0.394 4.729 4.320 0.025 0.000 0.270 294 K C -2.391 174.443 176.600 0.390 0.000 1.002 294 K CA -1.815 54.674 56.287 0.337 0.000 0.868 294 K CB 1.395 34.046 32.500 0.252 0.000 1.093 294 K HN 0.047 nan 8.250 nan 0.000 0.454 295 P HA 0.086 nan 4.420 nan 0.000 0.287 295 P C 0.194 177.508 177.300 0.024 0.000 1.294 295 P CA -0.188 62.992 63.100 0.133 0.000 0.776 295 P CB 0.894 32.689 31.700 0.159 0.000 0.889 296 L N 2.629 123.805 121.223 -0.078 0.000 2.478 296 L HA -0.013 4.342 4.340 0.025 0.000 0.223 296 L C 2.130 178.981 176.870 -0.032 0.000 1.140 296 L CA 0.846 55.675 54.840 -0.018 0.000 0.842 296 L CB -0.518 41.541 42.059 0.000 0.000 0.953 296 L HN 0.349 nan 8.230 nan 0.000 0.452 297 A N 0.037 122.811 122.820 -0.077 0.000 2.251 297 A HA 0.455 4.790 4.320 0.025 0.000 0.209 297 A C 1.210 178.793 177.584 -0.003 0.000 1.187 297 A CA 0.599 52.609 52.037 -0.046 0.000 0.823 297 A CB -0.336 18.618 19.000 -0.076 0.000 0.846 297 A HN 0.431 nan 8.150 nan 0.000 0.486 298 G N -0.626 108.187 108.800 0.022 0.000 2.712 298 G HA2 -0.102 3.873 3.960 0.025 0.000 0.683 298 G HA3 -0.102 3.873 3.960 0.025 0.000 0.683 298 G C -0.716 174.219 174.900 0.058 0.000 1.320 298 G CA -0.550 44.583 45.100 0.055 0.000 0.847 298 G HN 0.423 nan 8.290 nan 0.000 0.553 299 K N 0.142 120.584 120.400 0.071 0.000 2.183 299 K HA 0.734 5.069 4.320 0.025 0.000 0.274 299 K C 0.180 176.794 176.600 0.023 0.000 1.009 299 K CA 0.180 56.497 56.287 0.050 0.000 0.888 299 K CB 1.806 34.324 32.500 0.030 0.000 1.078 299 K HN 1.435 nan 8.250 nan 0.000 0.459 300 A N 1.772 124.590 122.820 -0.005 0.000 2.540 300 A HA 0.605 4.940 4.320 0.025 0.000 0.297 300 A C -1.126 176.506 177.584 0.080 0.000 1.056 300 A CA -0.663 51.324 52.037 -0.083 0.000 0.700 300 A CB 1.737 20.459 19.000 -0.464 0.000 1.280 300 A HN 0.513 nan 8.150 nan 0.000 0.398 301 S N 0.516 116.422 115.700 0.343 0.000 2.632 301 S HA 0.757 5.242 4.470 0.025 0.000 0.289 301 S C -0.092 174.829 174.600 0.535 0.000 1.115 301 S CA -0.609 57.831 58.200 0.399 0.000 0.889 301 S CB 1.169 64.599 63.200 0.382 0.000 1.116 301 S HN 0.647 nan 8.310 nan 0.000 0.486 302 L N 1.395 122.824 121.223 0.344 0.000 2.482 302 L HA 0.524 4.879 4.340 0.025 0.000 0.242 302 L C 0.114 177.106 176.870 0.204 0.000 1.210 302 L CA -0.759 54.206 54.840 0.209 0.000 0.819 302 L CB 0.154 42.247 42.059 0.057 0.000 1.203 302 L HN 0.483 nan 8.230 nan 0.000 0.495 303 V N -2.930 117.003 119.914 0.031 0.000 2.850 303 V HA 0.186 4.321 4.120 0.025 0.000 0.315 303 V C 0.694 176.731 176.094 -0.096 0.000 1.064 303 V CA -0.776 61.510 62.300 -0.023 0.000 0.979 303 V CB 1.639 33.425 31.823 -0.063 0.000 1.039 303 V HN 0.949 nan 8.190 nan 0.000 0.452 304 W N 1.767 122.932 121.300 -0.224 0.000 2.335 304 W HA -0.213 4.462 4.660 0.025 0.000 0.311 304 W C 1.794 178.152 176.519 -0.268 0.000 1.213 304 W CA 2.536 59.743 57.345 -0.230 0.000 1.274 304 W CB -0.123 29.186 29.460 -0.252 0.000 1.148 304 W HN 0.996 nan 8.180 nan 0.000 0.498 305 D N 0.292 120.408 120.400 -0.473 0.000 2.149 305 D HA -0.288 4.367 4.640 0.025 0.000 0.198 305 D C 2.131 178.066 176.300 -0.608 0.000 0.990 305 D CA 2.105 55.787 54.000 -0.530 0.000 0.839 305 D CB -0.484 40.258 40.800 -0.097 0.000 0.948 305 D HN 0.381 nan 8.370 nan 0.000 0.460 306 E N -0.421 119.295 120.200 -0.807 0.000 2.051 306 E HA -0.208 4.157 4.350 0.025 0.000 0.192 306 E C 1.997 178.241 176.600 -0.592 0.000 0.991 306 E CA 1.128 56.989 56.400 -0.899 0.000 0.799 306 E CB -0.220 28.833 29.700 -1.078 0.000 0.748 306 E HN 0.314 nan 8.360 nan 0.000 0.449 307 A N 1.016 123.507 122.820 -0.548 0.000 1.898 307 A HA -0.233 4.102 4.320 0.025 0.000 0.216 307 A C 2.162 179.406 177.584 -0.566 0.000 1.181 307 A CA 1.680 53.450 52.037 -0.446 0.000 0.620 307 A CB -0.602 18.249 19.000 -0.247 0.000 0.819 307 A HN 0.427 nan 8.150 nan 0.000 0.442 308 Q N -0.473 118.767 119.800 -0.933 0.000 2.046 308 Q HA -0.168 4.187 4.340 0.025 0.000 0.200 308 Q C 2.171 177.880 176.000 -0.484 0.000 0.975 308 Q CA 1.720 56.997 55.803 -0.878 0.000 0.836 308 Q CB -0.149 27.786 28.738 -1.339 0.000 0.896 308 Q HN 0.646 nan 8.270 nan 0.000 0.428 309 K N 0.088 120.224 120.400 -0.441 0.000 2.097 309 K HA -0.164 4.171 4.320 0.025 0.000 0.206 309 K C 2.082 178.534 176.600 -0.246 0.000 1.049 309 K CA 0.869 56.994 56.287 -0.269 0.000 0.933 309 K CB -0.089 32.298 32.500 -0.189 0.000 0.717 309 K HN 0.179 nan 8.250 nan 0.000 0.442 310 L N 1.358 122.391 121.223 -0.316 0.000 2.191 310 L HA -0.144 4.211 4.340 0.025 0.000 0.212 310 L C 2.169 178.900 176.870 -0.231 0.000 1.103 310 L CA 2.177 56.831 54.840 -0.311 0.000 0.769 310 L CB -0.906 40.881 42.059 -0.453 0.000 0.908 310 L HN 0.321 nan 8.230 nan 0.000 0.438 311 T N -4.282 110.141 114.554 -0.218 0.000 2.881 311 T HA -0.072 4.293 4.350 0.025 0.000 0.270 311 T C 1.835 176.471 174.700 -0.107 0.000 1.068 311 T CA 0.988 63.002 62.100 -0.143 0.000 1.131 311 T CB -0.981 67.816 68.868 -0.119 0.000 0.871 311 T HN 0.395 nan 8.240 nan 0.000 0.479 312 G N 1.075 109.804 108.800 -0.119 0.000 2.437 312 G HA2 0.008 3.983 3.960 0.025 0.000 0.212 312 G HA3 0.008 3.983 3.960 0.025 0.000 0.212 312 G C 1.902 176.757 174.900 -0.074 0.000 1.174 312 G CA -0.286 44.762 45.100 -0.086 0.000 0.811 312 G HN 0.303 nan 8.290 nan 0.000 0.537 313 R N 0.245 120.691 120.500 -0.091 0.000 2.115 313 R HA 0.052 4.407 4.340 0.025 0.000 0.226 313 R C -0.158 176.114 176.300 -0.047 0.000 1.100 313 R CA 0.760 56.820 56.100 -0.066 0.000 0.980 313 R CB -0.122 30.129 30.300 -0.081 0.000 0.875 313 R HN 0.336 nan 8.270 nan 0.000 0.445 314 D N -0.428 119.938 120.400 -0.057 0.000 2.527 314 D HA 0.129 4.784 4.640 0.025 0.000 0.242 314 D C -2.133 174.167 176.300 -0.001 0.000 1.285 314 D CA -1.671 52.330 54.000 0.000 0.000 0.886 314 D CB 1.318 42.167 40.800 0.081 0.000 1.402 314 D HN -0.123 nan 8.370 nan 0.000 0.528 315 P HA 0.028 nan 4.420 nan 0.000 0.234 315 P C 0.033 177.336 177.300 0.005 0.000 1.167 315 P CA 0.505 63.591 63.100 -0.023 0.000 0.763 315 P CB 0.533 32.217 31.700 -0.026 0.000 0.835 316 D N -1.202 119.213 120.400 0.024 0.000 2.427 316 D HA 0.068 4.723 4.640 0.025 0.000 0.224 316 D C 1.198 177.533 176.300 0.059 0.000 1.157 316 D CA -0.418 53.602 54.000 0.033 0.000 0.828 316 D CB -0.612 40.187 40.800 -0.002 0.000 0.974 316 D HN 0.136 nan 8.370 nan 0.000 0.498 317 F N 1.078 120.961 119.950 -0.112 0.000 2.126 317 F HA -0.223 4.319 4.527 0.025 0.000 0.299 317 F C 1.982 177.741 175.800 -0.069 0.000 1.096 317 F CA 1.824 59.753 58.000 -0.119 0.000 1.255 317 F CB 0.109 38.986 39.000 -0.205 0.000 0.997 317 F HN 0.113 nan 8.300 nan 0.000 0.479 318 H N -1.322 117.665 119.070 -0.140 0.000 2.403 318 H HA -0.025 4.545 4.556 0.025 0.000 0.298 318 H C 2.355 177.575 175.328 -0.179 0.000 1.059 318 H CA 0.711 56.527 56.048 -0.388 0.000 1.363 318 H CB -0.076 29.269 29.762 -0.694 0.000 1.410 318 H HN 0.160 nan 8.280 nan 0.000 0.528 319 R N 1.347 121.942 120.500 0.158 0.000 2.083 319 R HA -0.148 4.207 4.340 0.025 0.000 0.237 319 R C 2.442 178.845 176.300 0.171 0.000 1.137 319 R CA 1.453 57.700 56.100 0.246 0.000 0.951 319 R CB -0.043 30.387 30.300 0.216 0.000 0.851 319 R HN 0.197 nan 8.270 nan 0.000 0.434 320 R N 0.400 120.921 120.500 0.036 0.000 2.070 320 R HA -0.166 4.189 4.340 0.025 0.000 0.233 320 R C 2.215 178.505 176.300 -0.016 0.000 1.137 320 R CA 1.831 57.930 56.100 -0.002 0.000 0.945 320 R CB -0.323 29.939 30.300 -0.062 0.000 0.845 320 R HN 0.279 nan 8.270 nan 0.000 0.430 321 E N 0.624 120.698 120.200 -0.211 0.000 2.058 321 E HA -0.221 4.144 4.350 0.025 0.000 0.194 321 E C 2.028 178.592 176.600 -0.059 0.000 0.997 321 E CA 1.323 57.575 56.400 -0.247 0.000 0.801 321 E CB -0.141 29.230 29.700 -0.548 0.000 0.746 321 E HN 0.256 nan 8.360 nan 0.000 0.450 322 L N 1.000 122.232 121.223 0.014 0.000 1.989 322 L HA -0.178 4.177 4.340 0.025 0.000 0.211 322 L C 2.234 179.207 176.870 0.171 0.000 1.071 322 L CA 1.945 56.847 54.840 0.104 0.000 0.749 322 L CB -1.061 41.128 42.059 0.216 0.000 0.890 322 L HN 0.351 nan 8.230 nan 0.000 0.431 323 W N 0.794 122.129 121.300 0.058 0.000 2.338 323 W HA -0.215 4.459 4.660 0.025 0.000 0.304 323 W C 2.187 178.737 176.519 0.052 0.000 1.212 323 W CA 2.156 59.549 57.345 0.080 0.000 1.264 323 W CB -0.059 29.451 29.460 0.082 0.000 1.142 323 W HN 0.368 nan 8.180 nan 0.000 0.512 324 E N -0.223 120.147 120.200 0.282 0.000 2.216 324 E HA -0.082 4.283 4.350 0.025 0.000 0.192 324 E C 2.344 178.973 176.600 0.049 0.000 0.988 324 E CA 0.809 57.301 56.400 0.152 0.000 0.834 324 E CB -0.269 29.472 29.700 0.068 0.000 0.772 324 E HN 0.164 nan 8.360 nan 0.000 0.479 325 A N 1.328 124.173 122.820 0.043 0.000 1.902 325 A HA -0.167 4.168 4.320 0.025 0.000 0.217 325 A C 2.145 179.754 177.584 0.042 0.000 1.181 325 A CA 1.029 53.084 52.037 0.030 0.000 0.623 325 A CB -0.499 18.519 19.000 0.031 0.000 0.818 325 A HN 0.127 nan 8.150 nan 0.000 0.443 326 I N -0.459 120.156 120.570 0.074 0.000 2.252 326 I HA -0.222 3.963 4.170 0.025 0.000 0.245 326 I C 2.410 178.593 176.117 0.111 0.000 1.102 326 I CA 1.318 62.712 61.300 0.156 0.000 1.385 326 I CB -0.393 37.632 38.000 0.041 0.000 1.064 326 I HN 0.414 nan 8.210 nan 0.000 0.414 327 E N 0.834 121.049 120.200 0.025 0.000 2.204 327 E HA -0.196 4.169 4.350 0.025 0.000 0.195 327 E C 2.057 178.673 176.600 0.027 0.000 0.990 327 E CA 1.233 57.661 56.400 0.046 0.000 0.821 327 E CB -0.094 29.666 29.700 0.099 0.000 0.750 327 E HN 0.506 nan 8.360 nan 0.000 0.477 328 A N 0.040 122.852 122.820 -0.013 0.000 2.251 328 A HA 0.252 4.587 4.320 0.025 0.000 0.209 328 A C 1.772 179.284 177.584 -0.119 0.000 1.187 328 A CA 0.846 52.856 52.037 -0.044 0.000 0.823 328 A CB -0.100 18.868 19.000 -0.053 0.000 0.846 328 A HN 0.322 nan 8.150 nan 0.000 0.486 329 G N -0.247 108.394 108.800 -0.264 0.000 2.184 329 G HA2 -0.230 3.745 3.960 0.025 0.000 0.264 329 G HA3 -0.230 3.745 3.960 0.025 0.000 0.264 329 G C -0.135 174.250 174.900 -0.858 0.000 0.975 329 G CA 0.310 44.934 45.100 -0.793 0.000 0.642 329 G HN 0.480 nan 8.290 nan 0.000 0.536 330 D N 1.023 121.194 120.400 -0.381 0.000 2.801 330 D HA 0.268 4.923 4.640 0.025 0.000 0.232 330 D C 0.838 177.059 176.300 -0.132 0.000 1.128 330 D CA -0.137 53.734 54.000 -0.215 0.000 1.003 330 D CB -0.750 40.032 40.800 -0.030 0.000 1.110 330 D HN 0.435 nan 8.370 nan 0.000 0.477 331 F N 1.365 121.321 119.950 0.009 0.000 2.623 331 F HA 0.051 4.593 4.527 0.025 0.000 0.383 331 F C -1.344 174.431 175.800 -0.043 0.000 1.077 331 F CA -1.804 56.193 58.000 -0.005 0.000 1.268 331 F CB -0.144 38.865 39.000 0.015 0.000 1.053 331 F HN -0.063 nan 8.300 nan 0.000 0.571 332 P HA 0.027 nan 4.420 nan 0.000 0.263 332 P C -1.001 176.244 177.300 -0.092 0.000 1.195 332 P CA 0.370 63.458 63.100 -0.020 0.000 0.762 332 P CB 0.467 32.241 31.700 0.124 0.000 0.799 333 E N 2.325 122.330 120.200 -0.324 0.000 2.238 333 E HA 0.490 4.855 4.350 0.025 0.000 0.267 333 E C -1.064 175.261 176.600 -0.457 0.000 0.887 333 E CA -0.571 55.700 56.400 -0.214 0.000 0.769 333 E CB 1.448 31.110 29.700 -0.063 0.000 1.187 333 E HN 0.380 nan 8.360 nan 0.000 0.416 334 Y N 0.226 120.611 120.300 0.142 0.000 2.504 334 Y HA 0.240 4.805 4.550 0.025 0.000 0.344 334 Y C -0.387 175.757 175.900 0.407 0.000 1.023 334 Y CA -0.952 57.307 58.100 0.265 0.000 1.020 334 Y CB 2.042 40.630 38.460 0.215 0.000 1.282 334 Y HN 0.448 nan 8.280 nan 0.000 0.454 335 E N 2.625 123.167 120.200 0.571 0.000 2.156 335 E HA 0.414 4.779 4.350 0.025 0.000 0.279 335 E C -1.525 175.370 176.600 0.492 0.000 0.965 335 E CA -0.956 55.734 56.400 0.484 0.000 0.789 335 E CB 1.081 30.994 29.700 0.356 0.000 1.098 335 E HN 0.579 nan 8.360 nan 0.000 0.397 336 L N 4.247 125.685 121.223 0.357 0.000 2.380 336 L HA 0.535 4.890 4.340 0.025 0.000 0.273 336 L C -0.078 176.741 176.870 -0.085 0.000 1.138 336 L CA 0.583 55.344 54.840 -0.132 0.000 0.832 336 L CB 1.081 43.016 42.059 -0.206 0.000 1.124 336 L HN 0.583 nan 8.230 nan 0.000 0.454 337 G N 4.316 113.070 108.800 -0.077 0.000 2.612 337 G HA2 0.576 4.551 3.960 0.025 0.000 0.298 337 G HA3 0.576 4.551 3.960 0.025 0.000 0.298 337 G C -1.671 173.358 174.900 0.214 0.000 1.336 337 G CA -0.515 44.573 45.100 -0.021 0.000 0.953 337 G HN 0.457 nan 8.290 nan 0.000 0.482 338 F N 0.133 120.096 119.950 0.021 0.000 2.529 338 F HA 0.393 4.934 4.527 0.025 0.000 0.320 338 F C 0.287 176.072 175.800 -0.024 0.000 1.118 338 F CA -0.993 57.022 58.000 0.024 0.000 0.915 338 F CB 2.670 41.673 39.000 0.005 0.000 1.161 338 F HN 0.144 nan 8.300 nan 0.000 0.445 339 Q N 4.149 124.057 119.800 0.180 0.000 2.296 339 Q HA 0.496 4.851 4.340 0.025 0.000 0.257 339 Q C -1.041 175.002 176.000 0.071 0.000 0.942 339 Q CA -0.442 55.415 55.803 0.090 0.000 0.939 339 Q CB 2.117 30.908 28.738 0.088 0.000 1.198 339 Q HN 0.525 nan 8.270 nan 0.000 0.429 340 L N 4.462 125.735 121.223 0.084 0.000 2.322 340 L HA 0.592 4.947 4.340 0.025 0.000 0.281 340 L C -0.584 176.340 176.870 0.089 0.000 1.014 340 L CA -0.601 54.279 54.840 0.067 0.000 0.815 340 L CB 1.295 43.404 42.059 0.084 0.000 1.247 340 L HN 0.520 nan 8.230 nan 0.000 0.421 341 I N 4.397 125.036 120.570 0.115 0.000 2.447 341 I HA 0.351 4.536 4.170 0.025 0.000 0.287 341 I C -2.336 173.906 176.117 0.207 0.000 1.023 341 I CA -2.037 59.374 61.300 0.185 0.000 1.083 341 I CB 2.478 40.599 38.000 0.201 0.000 1.245 341 I HN 0.279 nan 8.210 nan 0.000 0.434 342 P HA 0.058 nan 4.420 nan 0.000 0.269 342 P C 0.644 178.020 177.300 0.127 0.000 1.209 342 P CA -0.076 63.067 63.100 0.072 0.000 0.776 342 P CB 0.849 32.583 31.700 0.056 0.000 0.876 343 E N 1.377 121.567 120.200 -0.017 0.000 2.114 343 E HA -0.299 4.066 4.350 0.025 0.000 0.199 343 E C 0.994 177.686 176.600 0.154 0.000 1.008 343 E CA 1.666 58.068 56.400 0.004 0.000 0.810 343 E CB -0.015 29.618 29.700 -0.113 0.000 0.739 343 E HN 0.460 nan 8.360 nan 0.000 0.456 344 E N 0.388 120.649 120.200 0.101 0.000 2.333 344 E HA -0.137 4.228 4.350 0.025 0.000 0.198 344 E C 0.666 177.330 176.600 0.106 0.000 1.007 344 E CA 1.078 57.540 56.400 0.104 0.000 0.845 344 E CB 0.093 29.834 29.700 0.067 0.000 0.766 344 E HN 0.248 nan 8.360 nan 0.000 0.507 345 D N -0.232 120.236 120.400 0.113 0.000 2.402 345 D HA -0.002 4.653 4.640 0.025 0.000 0.216 345 D C 1.106 177.438 176.300 0.053 0.000 1.128 345 D CA 0.019 54.060 54.000 0.068 0.000 0.833 345 D CB 0.088 40.938 40.800 0.085 0.000 0.971 345 D HN 0.252 nan 8.370 nan 0.000 0.503 346 E N -0.190 119.994 120.200 -0.026 0.000 2.130 346 E HA -0.192 4.173 4.350 0.025 0.000 0.196 346 E C 0.453 176.758 176.600 -0.492 0.000 0.998 346 E CA 1.127 57.286 56.400 -0.402 0.000 0.806 346 E CB 0.030 29.306 29.700 -0.707 0.000 0.738 346 E HN 0.272 nan 8.360 nan 0.000 0.459 347 F N -0.527 119.432 119.950 0.016 0.000 2.647 347 F HA 0.279 4.821 4.527 0.025 0.000 0.300 347 F C 1.166 176.905 175.800 -0.102 0.000 1.106 347 F CA -0.340 57.644 58.000 -0.028 0.000 1.313 347 F CB 0.673 39.664 39.000 -0.015 0.000 1.007 347 F HN -0.187 nan 8.300 nan 0.000 0.536 348 K N 0.196 120.535 120.400 -0.101 0.000 2.417 348 K HA 0.151 4.486 4.320 0.025 0.000 0.196 348 K C -0.409 175.802 176.600 -0.648 0.000 1.023 348 K CA 0.270 56.331 56.287 -0.377 0.000 1.122 348 K CB 0.175 32.366 32.500 -0.516 0.000 0.850 348 K HN 0.139 nan 8.250 nan 0.000 0.521 349 F N 0.189 119.984 119.950 -0.259 0.000 2.523 349 F HA 0.162 4.705 4.527 0.025 0.000 0.329 349 F C 1.258 176.851 175.800 -0.345 0.000 1.061 349 F CA -1.036 56.691 58.000 -0.455 0.000 0.967 349 F CB 1.017 39.366 39.000 -1.086 0.000 1.218 349 F HN -0.190 nan 8.300 nan 0.000 0.480 350 D N 0.741 121.124 120.400 -0.027 0.000 2.263 350 D HA -0.086 4.569 4.640 0.025 0.000 0.208 350 D C 0.070 176.443 176.300 0.122 0.000 0.971 350 D CA 1.309 55.362 54.000 0.089 0.000 0.867 350 D CB -0.193 40.744 40.800 0.228 0.000 0.929 350 D HN 0.268 nan 8.370 nan 0.000 0.492 351 F N -0.670 119.363 119.950 0.138 0.000 2.541 351 F HA 0.477 5.019 4.527 0.025 0.000 0.331 351 F C 0.179 175.967 175.800 -0.019 0.000 1.057 351 F CA -1.592 56.411 58.000 0.005 0.000 0.975 351 F CB 0.671 39.623 39.000 -0.079 0.000 1.246 351 F HN -0.391 nan 8.300 nan 0.000 0.484 352 D N 1.571 121.988 120.400 0.028 0.000 2.308 352 D HA 0.166 4.821 4.640 0.025 0.000 0.251 352 D C 1.023 177.267 176.300 -0.094 0.000 1.127 352 D CA -0.023 53.941 54.000 -0.059 0.000 0.876 352 D CB 1.418 42.194 40.800 -0.040 0.000 1.176 352 D HN 0.734 nan 8.370 nan 0.000 0.446 353 L N 3.427 124.530 121.223 -0.200 0.000 2.265 353 L HA -0.132 4.223 4.340 0.025 0.000 0.215 353 L C 1.984 178.723 176.870 -0.218 0.000 1.117 353 L CA 0.684 55.380 54.840 -0.240 0.000 0.782 353 L CB -0.081 41.679 42.059 -0.497 0.000 0.914 353 L HN 0.447 nan 8.230 nan 0.000 0.441 354 L N -0.920 120.197 121.223 -0.177 0.000 2.591 354 L HA 0.052 4.407 4.340 0.025 0.000 0.228 354 L C 0.380 177.169 176.870 -0.134 0.000 1.133 354 L CA -0.101 54.702 54.840 -0.062 0.000 0.880 354 L CB -0.268 41.871 42.059 0.133 0.000 1.033 354 L HN 0.099 nan 8.230 nan 0.000 0.450 355 D N 1.597 121.690 120.400 -0.510 0.000 2.359 355 D HA 0.134 4.789 4.640 0.025 0.000 0.230 355 D C -1.613 174.454 176.300 -0.389 0.000 1.118 355 D CA -2.319 51.111 54.000 -0.951 0.000 0.844 355 D CB 1.665 41.680 40.800 -1.308 0.000 1.059 355 D HN -0.087 nan 8.370 nan 0.000 0.493 356 P HA -0.033 nan 4.420 nan 0.000 0.245 356 P C 0.832 178.035 177.300 -0.161 0.000 1.212 356 P CA 0.496 63.522 63.100 -0.124 0.000 0.774 356 P CB -0.014 31.701 31.700 0.024 0.000 0.999 357 T N -3.960 110.493 114.554 -0.169 0.000 3.129 357 T HA 0.121 4.486 4.350 0.025 0.000 0.251 357 T C 0.749 175.356 174.700 -0.154 0.000 1.117 357 T CA 0.013 62.021 62.100 -0.153 0.000 1.034 357 T CB -0.262 68.565 68.868 -0.070 0.000 0.968 357 T HN -0.105 nan 8.240 nan 0.000 0.526 358 K N 1.976 122.195 120.400 -0.302 0.000 2.221 358 K HA 0.560 4.895 4.320 0.025 0.000 0.258 358 K C -0.334 176.075 176.600 -0.319 0.000 0.944 358 K CA -0.875 55.112 56.287 -0.499 0.000 0.823 358 K CB 2.222 34.295 32.500 -0.711 0.000 1.113 358 K HN 0.285 nan 8.250 nan 0.000 0.431 359 L N -0.328 120.837 121.223 -0.097 0.000 2.387 359 L HA 0.633 4.988 4.340 0.025 0.000 0.266 359 L C -0.023 176.649 176.870 -0.330 0.000 1.059 359 L CA -0.432 54.307 54.840 -0.168 0.000 0.801 359 L CB 0.310 42.354 42.059 -0.026 0.000 1.223 359 L HN 0.450 nan 8.230 nan 0.000 0.456 360 I N 1.537 122.014 120.570 -0.155 0.000 2.307 360 I HA 0.360 4.545 4.170 0.025 0.000 0.289 360 I C -2.108 174.032 176.117 0.038 0.000 1.021 360 I CA -1.697 59.568 61.300 -0.059 0.000 1.224 360 I CB 1.128 39.118 38.000 -0.017 0.000 1.376 360 I HN 0.458 nan 8.210 nan 0.000 0.470 361 P HA 0.039 nan 4.420 nan 0.000 0.265 361 P C 0.292 177.667 177.300 0.125 0.000 1.193 361 P CA 0.036 63.193 63.100 0.094 0.000 0.765 361 P CB 0.612 32.364 31.700 0.086 0.000 0.823 362 E N 1.674 121.953 120.200 0.132 0.000 2.268 362 E HA -0.183 4.182 4.350 0.025 0.000 0.195 362 E C 1.371 178.030 176.600 0.098 0.000 0.995 362 E CA 0.716 57.181 56.400 0.109 0.000 0.836 362 E CB 0.004 29.770 29.700 0.110 0.000 0.763 362 E HN 0.512 nan 8.360 nan 0.000 0.491 363 E N 0.457 120.716 120.200 0.099 0.000 2.153 363 E HA -0.144 4.221 4.350 0.025 0.000 0.194 363 E C 2.097 178.764 176.600 0.112 0.000 0.988 363 E CA 0.742 57.195 56.400 0.090 0.000 0.811 363 E CB 0.054 29.800 29.700 0.077 0.000 0.746 363 E HN 0.371 nan 8.360 nan 0.000 0.466 364 L N -0.266 121.049 121.223 0.152 0.000 2.127 364 L HA 0.022 4.377 4.340 0.025 0.000 0.203 364 L C 0.779 177.773 176.870 0.207 0.000 1.080 364 L CA 0.561 55.529 54.840 0.213 0.000 0.768 364 L CB 0.274 42.540 42.059 0.345 0.000 0.924 364 L HN -0.191 nan 8.230 nan 0.000 0.444 365 V N 0.841 120.856 119.914 0.169 0.000 2.439 365 V HA 0.313 4.448 4.120 0.025 0.000 0.277 365 V C -2.396 173.748 176.094 0.084 0.000 1.008 365 V CA -1.355 61.028 62.300 0.138 0.000 0.846 365 V CB 1.340 33.238 31.823 0.124 0.000 1.031 365 V HN -0.035 nan 8.190 nan 0.000 0.441 366 P HA 0.198 nan 4.420 nan 0.000 0.272 366 P C -0.342 176.957 177.300 -0.001 0.000 1.240 366 P CA -0.123 62.998 63.100 0.035 0.000 0.791 366 P CB 0.767 32.491 31.700 0.040 0.000 0.978 367 V N 2.603 122.484 119.914 -0.054 0.000 2.432 367 V HA 0.103 4.238 4.120 0.025 0.000 0.271 367 V C 0.515 176.595 176.094 -0.024 0.000 1.046 367 V CA -0.034 62.201 62.300 -0.108 0.000 0.945 367 V CB 0.160 31.837 31.823 -0.242 0.000 0.992 367 V HN 0.439 nan 8.190 nan 0.000 0.471 368 Q N 4.991 124.796 119.800 0.008 0.000 2.274 368 Q HA 0.414 4.769 4.340 0.025 0.000 0.256 368 Q C -0.281 175.706 176.000 -0.021 0.000 0.927 368 Q CA -0.527 55.283 55.803 0.011 0.000 0.939 368 Q CB 1.583 30.340 28.738 0.032 0.000 1.201 368 Q HN 0.630 nan 8.270 nan 0.000 0.426 369 R N 1.153 121.669 120.500 0.026 0.000 2.543 369 R HA 0.113 4.468 4.340 0.025 0.000 0.277 369 R C 0.391 176.724 176.300 0.055 0.000 1.074 369 R CA -0.174 55.985 56.100 0.097 0.000 1.076 369 R CB 0.558 30.992 30.300 0.224 0.000 0.993 369 R HN 0.409 nan 8.270 nan 0.000 0.459 370 V N 0.439 120.312 119.914 -0.069 0.000 3.250 370 V HA 0.343 4.478 4.120 0.025 0.000 0.240 370 V C 0.687 176.539 176.094 -0.404 0.000 1.275 370 V CA 0.994 63.126 62.300 -0.280 0.000 1.206 370 V CB 1.019 32.410 31.823 -0.720 0.000 0.976 370 V HN 1.044 nan 8.190 nan 0.000 0.467 371 G N -0.171 108.242 108.800 -0.645 0.000 2.321 371 G HA2 0.436 4.411 3.960 0.025 0.000 0.296 371 G HA3 0.436 4.411 3.960 0.025 0.000 0.296 371 G C -1.873 172.675 174.900 -0.586 0.000 1.287 371 G CA -0.529 43.825 45.100 -1.243 0.000 0.846 371 G HN 0.060 nan 8.290 nan 0.000 0.508 372 K N -0.267 119.809 120.400 -0.540 0.000 2.378 372 K HA 0.701 5.036 4.320 0.025 0.000 0.252 372 K C -0.770 175.887 176.600 0.095 0.000 0.931 372 K CA -0.780 55.496 56.287 -0.018 0.000 0.794 372 K CB 1.964 34.493 32.500 0.048 0.000 1.181 372 K HN 0.632 nan 8.250 nan 0.000 0.425 373 M N 4.664 124.472 119.600 0.347 0.000 2.364 373 M HA 0.414 4.909 4.480 0.025 0.000 0.334 373 M C -1.682 174.609 176.300 -0.013 0.000 1.107 373 M CA -0.746 54.681 55.300 0.211 0.000 0.988 373 M CB 1.644 34.407 32.600 0.272 0.000 1.673 373 M HN 0.343 nan 8.290 nan 0.000 0.441 374 V N 6.243 125.978 119.914 -0.299 0.000 2.487 374 V HA 0.445 4.580 4.120 0.025 0.000 0.298 374 V C -0.582 175.387 176.094 -0.209 0.000 1.028 374 V CA -0.719 61.427 62.300 -0.256 0.000 0.860 374 V CB 1.816 33.367 31.823 -0.454 0.000 0.991 374 V HN 0.813 nan 8.190 nan 0.000 0.427 375 L N 5.513 126.701 121.223 -0.058 0.000 2.262 375 L HA 0.510 4.865 4.340 0.025 0.000 0.288 375 L C 0.427 177.215 176.870 -0.138 0.000 1.035 375 L CA -0.307 54.499 54.840 -0.056 0.000 0.820 375 L CB 1.081 43.158 42.059 0.030 0.000 1.204 375 L HN 0.872 nan 8.230 nan 0.000 0.424 376 N N 2.445 120.978 118.700 -0.277 0.000 2.160 376 N HA 0.134 4.889 4.740 0.025 0.000 0.226 376 N C -0.044 175.280 175.510 -0.310 0.000 1.256 376 N CA -0.393 52.234 53.050 -0.707 0.000 0.890 376 N CB 0.796 38.541 38.487 -1.237 0.000 1.116 376 N HN 0.470 nan 8.380 nan 0.000 0.517 377 R N 0.333 120.762 120.500 -0.118 0.000 2.535 377 R HA 0.294 4.649 4.340 0.025 0.000 0.274 377 R C -1.227 175.032 176.300 -0.069 0.000 1.090 377 R CA -0.553 55.498 56.100 -0.083 0.000 0.930 377 R CB 1.265 31.523 30.300 -0.070 0.000 1.223 377 R HN 0.058 nan 8.270 nan 0.000 0.441 378 N N 3.538 122.072 118.700 -0.277 0.000 2.444 378 N HA 0.206 4.961 4.740 0.025 0.000 0.255 378 N C -2.256 173.207 175.510 -0.079 0.000 1.255 378 N CA -0.988 51.766 53.050 -0.493 0.000 0.933 378 N CB 0.447 37.966 38.487 -1.613 0.000 1.143 378 N HN 0.342 nan 8.380 nan 0.000 0.453 379 P HA 0.080 nan 4.420 nan 0.000 0.271 379 P C 0.095 177.594 177.300 0.332 0.000 1.244 379 P CA -0.061 63.240 63.100 0.334 0.000 0.793 379 P CB 1.001 32.945 31.700 0.406 0.000 0.984 380 D N -0.990 119.572 120.400 0.269 0.000 2.197 380 D HA -0.019 4.636 4.640 0.025 0.000 0.212 380 D C 0.512 176.990 176.300 0.297 0.000 0.963 380 D CA 1.352 55.505 54.000 0.254 0.000 0.864 380 D CB 0.118 41.008 40.800 0.150 0.000 1.009 380 D HN 0.401 nan 8.370 nan 0.000 0.479 381 N N -0.310 118.554 118.700 0.274 0.000 2.399 381 N HA 0.021 4.776 4.740 0.025 0.000 0.284 381 N C -0.094 175.626 175.510 0.351 0.000 1.025 381 N CA -0.347 52.879 53.050 0.294 0.000 0.885 381 N CB 1.769 40.397 38.487 0.234 0.000 1.339 381 N HN -0.150 nan 8.380 nan 0.000 0.487 382 F N 4.311 124.413 119.950 0.253 0.000 2.113 382 F HA -0.083 4.458 4.527 0.024 0.000 0.297 382 F C 1.715 177.649 175.800 0.224 0.000 1.103 382 F CA 1.227 59.379 58.000 0.254 0.000 1.248 382 F CB -0.121 39.002 39.000 0.206 0.000 0.999 382 F HN 0.604 nan 8.300 nan 0.000 0.475 383 F N 0.933 121.140 119.950 0.428 0.000 2.095 383 F HA -0.171 4.371 4.527 0.026 0.000 0.298 383 F C 2.294 178.160 175.800 0.110 0.000 1.104 383 F CA 1.848 60.009 58.000 0.268 0.000 1.232 383 F CB -0.883 38.243 39.000 0.210 0.000 0.987 383 F HN 0.002 nan 8.300 nan 0.000 0.475 384 A N -0.382 122.573 122.820 0.226 0.000 1.898 384 A HA -0.145 4.190 4.320 0.025 0.000 0.216 384 A C 2.091 179.607 177.584 -0.113 0.000 1.181 384 A CA 1.926 54.008 52.037 0.075 0.000 0.620 384 A CB -0.654 18.444 19.000 0.163 0.000 0.819 384 A HN 0.579 nan 8.150 nan 0.000 0.442 385 E N -1.227 118.923 120.200 -0.085 0.000 2.162 385 E HA -0.068 4.297 4.350 0.025 0.000 0.193 385 E C 1.960 178.471 176.600 -0.147 0.000 0.953 385 E CA 0.492 56.774 56.400 -0.196 0.000 0.849 385 E CB -0.113 29.520 29.700 -0.112 0.000 0.810 385 E HN 0.561 nan 8.360 nan 0.000 0.470 386 N N 1.308 119.921 118.700 -0.145 0.000 2.176 386 N HA -0.163 4.592 4.740 0.025 0.000 0.187 386 N C 1.835 177.175 175.510 -0.283 0.000 1.043 386 N CA 1.412 54.310 53.050 -0.252 0.000 0.851 386 N CB 0.053 37.980 38.487 -0.932 0.000 1.018 386 N HN -0.059 nan 8.380 nan 0.000 0.436 387 E N 0.832 120.803 120.200 -0.382 0.000 2.072 387 E HA -0.081 4.284 4.350 0.025 0.000 0.191 387 E C 1.757 178.171 176.600 -0.310 0.000 0.985 387 E CA 1.442 57.686 56.400 -0.259 0.000 0.801 387 E CB -0.210 29.345 29.700 -0.242 0.000 0.750 387 E HN 0.490 nan 8.360 nan 0.000 0.452 388 Q N -0.088 119.448 119.800 -0.439 0.000 2.472 388 Q HA 0.200 4.555 4.340 0.025 0.000 0.208 388 Q C 0.162 176.047 176.000 -0.191 0.000 0.958 388 Q CA 0.290 55.899 55.803 -0.324 0.000 0.932 388 Q CB 0.193 28.722 28.738 -0.348 0.000 1.007 388 Q HN 0.237 nan 8.270 nan 0.000 0.508 389 A N 1.230 123.960 122.820 -0.149 0.000 2.540 389 A HA 0.384 4.719 4.320 0.025 0.000 0.239 389 A C -0.083 177.399 177.584 -0.170 0.000 1.061 389 A CA 0.322 52.254 52.037 -0.175 0.000 0.758 389 A CB 0.160 19.134 19.000 -0.045 0.000 0.991 389 A HN 0.287 nan 8.150 nan 0.000 0.502 390 A N 2.608 125.277 122.820 -0.251 0.000 2.311 390 A HA 0.709 5.043 4.320 0.025 0.000 0.306 390 A C -0.696 176.772 177.584 -0.193 0.000 1.189 390 A CA -0.443 51.507 52.037 -0.146 0.000 0.791 390 A CB 0.302 19.203 19.000 -0.164 0.000 1.172 390 A HN 0.663 nan 8.150 nan 0.000 0.481 391 F N 1.111 121.069 119.950 0.012 0.000 2.450 391 F HA 0.647 5.189 4.527 0.025 0.000 0.332 391 F C 0.314 176.092 175.800 -0.038 0.000 1.093 391 F CA -0.212 57.773 58.000 -0.024 0.000 1.003 391 F CB 1.962 40.887 39.000 -0.125 0.000 1.151 391 F HN 0.760 nan 8.300 nan 0.000 0.474 392 H N 3.235 122.175 119.070 -0.216 0.000 3.026 392 H HA 0.291 4.862 4.556 0.026 0.000 0.352 392 H C -2.486 172.464 175.328 -0.629 0.000 1.090 392 H CA -1.815 53.871 56.048 -0.603 0.000 1.268 392 H CB 2.851 32.179 29.762 -0.724 0.000 1.816 392 H HN 0.182 nan 8.280 nan 0.000 0.518 393 P HA 0.021 nan 4.420 nan 0.000 0.229 393 P C 1.195 178.345 177.300 -0.251 0.000 1.160 393 P CA 1.202 63.970 63.100 -0.554 0.000 0.777 393 P CB 0.148 31.582 31.700 -0.444 0.000 0.814 394 G N -0.691 107.747 108.800 -0.603 0.000 2.535 394 G HA2 -0.185 3.790 3.960 0.025 0.000 0.218 394 G HA3 -0.185 3.790 3.960 0.025 0.000 0.218 394 G C 0.471 175.576 174.900 0.343 0.000 1.122 394 G CA 0.089 45.252 45.100 0.106 0.000 0.769 394 G HN 0.443 nan 8.290 nan 0.000 0.549 395 H N 0.698 119.880 119.070 0.186 0.000 3.216 395 H HA 0.338 4.909 4.556 0.024 0.000 0.263 395 H C 0.625 176.053 175.328 0.167 0.000 1.601 395 H CA -0.802 55.328 56.048 0.136 0.000 1.509 395 H CB -0.097 29.713 29.762 0.080 0.000 1.759 395 H HN 0.375 nan 8.280 nan 0.000 0.533 396 I N -0.338 120.350 120.570 0.196 0.000 3.217 396 I HA 0.669 4.854 4.170 0.025 0.000 0.308 396 I C -0.042 176.052 176.117 -0.038 0.000 1.091 396 I CA -1.395 59.943 61.300 0.063 0.000 1.013 396 I CB 1.746 39.671 38.000 -0.125 0.000 1.250 396 I HN 0.108 nan 8.210 nan 0.000 0.496 397 V N -2.305 117.567 119.914 -0.070 0.000 3.141 397 V HA 0.687 4.822 4.120 0.025 0.000 0.312 397 V C -2.837 173.358 176.094 0.169 0.000 1.157 397 V CA -2.552 59.771 62.300 0.039 0.000 1.041 397 V CB 0.978 32.809 31.823 0.014 0.000 1.071 397 V HN 0.616 nan 8.190 nan 0.000 0.441 398 P HA 0.419 nan 4.420 nan 0.000 0.268 398 P C 0.851 178.146 177.300 -0.009 0.000 1.204 398 P CA 1.801 64.979 63.100 0.131 0.000 0.768 398 P CB 0.851 32.599 31.700 0.081 0.000 0.842 399 G N 1.552 110.300 108.800 -0.086 0.000 2.218 399 G HA2 -0.156 3.819 3.960 0.025 0.000 0.216 399 G HA3 -0.156 3.819 3.960 0.025 0.000 0.216 399 G C -0.267 174.538 174.900 -0.158 0.000 0.994 399 G CA -0.423 44.603 45.100 -0.124 0.000 0.637 399 G HN 0.442 nan 8.290 nan 0.000 0.505 400 L N 0.117 121.261 121.223 -0.131 0.000 2.323 400 L HA 0.914 5.268 4.340 0.025 0.000 0.265 400 L C -0.509 176.296 176.870 -0.107 0.000 1.012 400 L CA -1.033 53.708 54.840 -0.166 0.000 0.820 400 L CB 2.115 44.003 42.059 -0.285 0.000 1.334 400 L HN 0.120 nan 8.230 nan 0.000 0.427 401 D N -0.618 119.703 120.400 -0.132 0.000 2.692 401 D HA 0.439 5.094 4.640 0.025 0.000 0.290 401 D C -1.272 174.950 176.300 -0.131 0.000 1.281 401 D CA -0.359 53.518 54.000 -0.206 0.000 0.804 401 D CB 1.807 42.565 40.800 -0.070 0.000 1.331 401 D HN 0.115 nan 8.370 nan 0.000 0.432 402 F N -0.180 119.888 119.950 0.196 0.000 2.321 402 F HA 0.549 5.091 4.527 0.025 0.000 0.318 402 F C 1.480 177.287 175.800 0.012 0.000 1.129 402 F CA -0.251 57.789 58.000 0.066 0.000 1.074 402 F CB 1.185 40.199 39.000 0.022 0.000 1.432 402 F HN 0.224 nan 8.300 nan 0.000 0.502 403 T N -3.300 111.342 114.554 0.147 0.000 2.742 403 T HA 0.301 4.666 4.350 0.025 0.000 0.282 403 T C -0.052 174.684 174.700 0.058 0.000 1.025 403 T CA -0.977 61.197 62.100 0.124 0.000 1.020 403 T CB 1.152 70.082 68.868 0.103 0.000 1.317 403 T HN 0.346 nan 8.240 nan 0.000 0.538 404 N N 1.165 119.909 118.700 0.073 0.000 2.449 404 N HA 0.050 4.805 4.740 0.025 0.000 0.191 404 N C 0.088 175.613 175.510 0.024 0.000 1.161 404 N CA 0.108 53.182 53.050 0.041 0.000 0.863 404 N CB -0.475 38.053 38.487 0.068 0.000 0.980 404 N HN 0.691 nan 8.380 nan 0.000 0.458 405 D N 2.246 122.646 120.400 -0.000 0.000 2.662 405 D HA -0.093 4.562 4.640 0.025 0.000 0.237 405 D C -1.486 174.813 176.300 -0.001 0.000 1.154 405 D CA -0.756 53.263 54.000 0.032 0.000 0.861 405 D CB 1.197 41.962 40.800 -0.059 0.000 1.146 405 D HN 0.162 nan 8.370 nan 0.000 0.518 406 P HA -0.049 nan 4.420 nan 0.000 0.241 406 P C 1.413 178.732 177.300 0.031 0.000 1.191 406 P CA 0.005 63.124 63.100 0.031 0.000 0.771 406 P CB 0.418 32.134 31.700 0.025 0.000 0.929 407 L N -0.108 121.152 121.223 0.061 0.000 2.084 407 L HA 0.035 4.390 4.340 0.025 0.000 0.202 407 L C 2.327 179.115 176.870 -0.136 0.000 1.074 407 L CA 1.190 56.057 54.840 0.045 0.000 0.757 407 L CB -1.499 40.673 42.059 0.187 0.000 0.918 407 L HN -0.183 nan 8.230 nan 0.000 0.444 408 L N -0.339 120.645 121.223 -0.399 0.000 2.013 408 L HA -0.260 4.095 4.340 0.025 0.000 0.212 408 L C 2.473 179.094 176.870 -0.416 0.000 1.073 408 L CA 1.870 56.257 54.840 -0.754 0.000 0.753 408 L CB -0.906 40.420 42.059 -1.222 0.000 0.890 408 L HN 0.393 nan 8.230 nan 0.000 0.432 409 Q N -0.137 119.490 119.800 -0.288 0.000 2.077 409 Q HA -0.191 4.164 4.340 0.025 0.000 0.206 409 Q C 2.118 178.039 176.000 -0.133 0.000 0.989 409 Q CA 1.946 57.622 55.803 -0.211 0.000 0.853 409 Q CB -0.907 27.758 28.738 -0.121 0.000 0.907 409 Q HN 0.723 nan 8.270 nan 0.000 0.418 410 G N 0.359 109.113 108.800 -0.076 0.000 2.448 410 G HA2 -0.197 3.778 3.960 0.025 0.000 0.218 410 G HA3 -0.197 3.778 3.960 0.025 0.000 0.218 410 G C 1.511 176.432 174.900 0.034 0.000 1.135 410 G CA 0.142 45.245 45.100 0.004 0.000 0.784 410 G HN 0.242 nan 8.290 nan 0.000 0.543 411 R N -0.067 120.405 120.500 -0.047 0.000 2.105 411 R HA 0.023 4.378 4.340 0.025 0.000 0.239 411 R C 2.496 178.895 176.300 0.166 0.000 1.135 411 R CA 0.923 57.060 56.100 0.062 0.000 0.967 411 R CB -0.493 29.805 30.300 -0.004 0.000 0.861 411 R HN 0.341 nan 8.270 nan 0.000 0.442 412 L N -0.351 120.857 121.223 -0.025 0.000 2.129 412 L HA -0.219 4.135 4.340 0.025 0.000 0.212 412 L C 2.313 179.323 176.870 0.232 0.000 1.087 412 L CA 1.227 56.081 54.840 0.022 0.000 0.757 412 L CB -0.511 41.405 42.059 -0.239 0.000 0.896 412 L HN 0.157 nan 8.230 nan 0.000 0.434 413 F N 0.212 120.194 119.950 0.053 0.000 2.163 413 F HA -0.185 4.357 4.527 0.025 0.000 0.297 413 F C 2.812 178.644 175.800 0.054 0.000 1.094 413 F CA 1.568 59.593 58.000 0.042 0.000 1.290 413 F CB -0.223 38.782 39.000 0.010 0.000 1.017 413 F HN -0.042 nan 8.300 nan 0.000 0.483 414 S N -0.695 115.042 115.700 0.061 0.000 2.355 414 S HA -0.227 4.258 4.470 0.025 0.000 0.222 414 S C 2.040 176.521 174.600 -0.199 0.000 1.031 414 S CA 1.522 59.648 58.200 -0.123 0.000 0.993 414 S CB -0.808 62.323 63.200 -0.115 0.000 0.859 414 S HN 0.532 nan 8.310 nan 0.000 0.453 415 Y N 1.823 122.126 120.300 0.005 0.000 2.439 415 Y HA -0.040 4.525 4.550 0.025 0.000 0.292 415 Y C 2.976 178.527 175.900 -0.582 0.000 1.130 415 Y CA 1.211 59.309 58.100 -0.003 0.000 1.254 415 Y CB -0.534 38.862 38.460 1.560 0.000 1.000 415 Y HN 0.526 nan 8.280 nan 0.000 0.554 416 T N -2.896 111.238 114.554 -0.701 0.000 2.894 416 T HA -0.146 4.219 4.350 0.025 0.000 0.258 416 T C 1.570 176.055 174.700 -0.360 0.000 1.043 416 T CA 1.230 63.043 62.100 -0.478 0.000 1.141 416 T CB -0.489 68.161 68.868 -0.364 0.000 0.873 416 T HN 0.242 nan 8.240 nan 0.000 0.449 417 D N 1.357 121.479 120.400 -0.463 0.000 2.104 417 D HA -0.145 4.510 4.640 0.025 0.000 0.194 417 D C 2.297 178.433 176.300 -0.272 0.000 0.994 417 D CA 1.959 55.706 54.000 -0.420 0.000 0.830 417 D CB -0.860 39.505 40.800 -0.725 0.000 0.959 417 D HN 0.395 nan 8.370 nan 0.000 0.452 418 T N -1.009 113.378 114.554 -0.278 0.000 2.833 418 T HA -0.146 4.218 4.350 0.025 0.000 0.269 418 T C 1.641 176.214 174.700 -0.212 0.000 1.054 418 T CA 1.246 63.226 62.100 -0.200 0.000 1.135 418 T CB -0.254 68.498 68.868 -0.194 0.000 0.869 418 T HN 0.137 nan 8.240 nan 0.000 0.466 419 Q N 0.746 120.345 119.800 -0.336 0.000 2.297 419 Q HA -0.033 4.322 4.340 0.025 0.000 0.208 419 Q C 2.202 178.084 176.000 -0.197 0.000 0.981 419 Q CA 0.763 56.316 55.803 -0.416 0.000 0.876 419 Q CB -0.500 27.588 28.738 -1.084 0.000 0.921 419 Q HN 0.517 nan 8.270 nan 0.000 0.446 420 I N 0.764 121.269 120.570 -0.109 0.000 2.315 420 I HA -0.190 3.995 4.170 0.025 0.000 0.248 420 I C 2.257 178.370 176.117 -0.006 0.000 1.117 420 I CA 1.620 62.918 61.300 -0.003 0.000 1.404 420 I CB -1.244 36.759 38.000 0.006 0.000 1.071 420 I HN 0.202 nan 8.210 nan 0.000 0.419 421 S N 0.236 115.918 115.700 -0.030 0.000 2.427 421 S HA -0.051 4.434 4.470 0.025 0.000 0.224 421 S C 2.159 176.749 174.600 -0.018 0.000 1.047 421 S CA 0.080 58.273 58.200 -0.012 0.000 0.953 421 S CB -0.331 62.866 63.200 -0.006 0.000 0.824 421 S HN 0.282 nan 8.310 nan 0.000 0.502 422 R N 0.984 121.455 120.500 -0.048 0.000 2.083 422 R HA 0.124 4.479 4.340 0.025 0.000 0.237 422 R C 1.374 177.653 176.300 -0.035 0.000 1.137 422 R CA 1.548 57.621 56.100 -0.045 0.000 0.951 422 R CB -0.274 29.979 30.300 -0.079 0.000 0.851 422 R HN 0.449 nan 8.270 nan 0.000 0.434 423 L N -0.901 120.290 121.223 -0.053 0.000 2.769 423 L HA 0.322 4.677 4.340 0.025 0.000 0.240 423 L C 0.830 177.716 176.870 0.027 0.000 1.163 423 L CA 0.296 55.124 54.840 -0.019 0.000 0.962 423 L CB 1.150 43.193 42.059 -0.028 0.000 1.258 423 L HN 0.583 nan 8.230 nan 0.000 0.513 424 G N -0.053 108.763 108.800 0.026 0.000 2.159 424 G HA2 -0.107 3.868 3.960 0.025 0.000 0.256 424 G HA3 -0.107 3.868 3.960 0.025 0.000 0.256 424 G C 0.442 175.380 174.900 0.063 0.000 0.977 424 G CA -0.018 45.105 45.100 0.038 0.000 0.652 424 G HN 0.794 nan 8.290 nan 0.000 0.531 425 G N -1.583 107.276 108.800 0.097 0.000 2.356 425 G HA2 0.586 4.561 3.960 0.025 0.000 0.288 425 G HA3 0.586 4.561 3.960 0.025 0.000 0.288 425 G C -2.228 172.802 174.900 0.216 0.000 1.302 425 G CA 0.374 45.546 45.100 0.121 0.000 0.887 425 G HN 0.478 nan 8.290 nan 0.000 0.521 426 P HA 0.134 nan 4.420 nan 0.000 0.249 426 P C 0.287 177.583 177.300 -0.006 0.000 1.229 426 P CA 0.325 63.510 63.100 0.140 0.000 0.788 426 P CB 0.200 31.948 31.700 0.081 0.000 1.072 427 N N 0.397 119.095 118.700 -0.003 0.000 2.327 427 N HA 0.066 4.820 4.740 0.025 0.000 0.231 427 N C 1.011 176.351 175.510 -0.284 0.000 1.130 427 N CA -0.177 52.770 53.050 -0.171 0.000 0.845 427 N CB -0.557 37.869 38.487 -0.101 0.000 1.073 427 N HN 0.260 nan 8.380 nan 0.000 0.496 428 F N 0.682 120.604 119.950 -0.047 0.000 2.365 428 F HA -0.072 4.469 4.527 0.023 0.000 0.300 428 F C 2.226 177.954 175.800 -0.121 0.000 1.090 428 F CA 0.750 58.698 58.000 -0.087 0.000 1.408 428 F CB -0.816 38.153 39.000 -0.052 0.000 1.060 428 F HN 0.186 nan 8.300 nan 0.000 0.534 429 H N 0.551 119.242 119.070 -0.631 0.000 2.545 429 H HA 0.036 4.607 4.556 0.025 0.000 0.282 429 H C 0.775 175.946 175.328 -0.263 0.000 1.020 429 H CA 1.406 57.196 56.048 -0.432 0.000 1.243 429 H CB -0.644 28.714 29.762 -0.674 0.000 1.377 429 H HN 0.543 nan 8.280 nan 0.000 0.581 430 E N 0.909 120.685 120.200 -0.708 0.000 2.447 430 E HA 0.186 4.551 4.350 0.025 0.000 0.195 430 E C 0.387 176.874 176.600 -0.189 0.000 1.028 430 E CA -0.315 55.839 56.400 -0.411 0.000 0.876 430 E CB 0.575 30.047 29.700 -0.380 0.000 0.885 430 E HN 0.424 nan 8.360 nan 0.000 0.500 431 I N 2.877 123.355 120.570 -0.154 0.000 2.668 431 I HA -0.072 4.113 4.170 0.025 0.000 0.285 431 I C -1.567 174.493 176.117 -0.096 0.000 1.168 431 I CA -1.209 60.032 61.300 -0.098 0.000 1.424 431 I CB 0.534 38.490 38.000 -0.073 0.000 1.377 431 I HN -0.182 nan 8.210 nan 0.000 0.560 432 P HA -0.236 nan 4.420 nan 0.000 0.216 432 P C 1.771 178.998 177.300 -0.121 0.000 1.157 432 P CA 1.219 64.265 63.100 -0.091 0.000 0.880 432 P CB 0.173 31.826 31.700 -0.078 0.000 0.791 433 I N -0.498 119.971 120.570 -0.168 0.000 2.248 433 I HA -0.249 3.936 4.170 0.025 0.000 0.248 433 I C 1.431 177.477 176.117 -0.119 0.000 1.107 433 I CA 1.799 62.950 61.300 -0.249 0.000 1.373 433 I CB -0.683 37.049 38.000 -0.448 0.000 1.055 433 I HN -0.095 nan 8.210 nan 0.000 0.418 434 N N 0.624 119.266 118.700 -0.095 0.000 2.457 434 N HA -0.007 4.748 4.740 0.025 0.000 0.180 434 N C 0.394 175.912 175.510 0.014 0.000 1.050 434 N CA 0.301 53.325 53.050 -0.042 0.000 0.906 434 N CB -0.228 38.252 38.487 -0.011 0.000 0.968 434 N HN 0.384 nan 8.380 nan 0.000 0.445 435 R N 1.440 121.941 120.500 0.002 0.000 2.585 435 R HA 0.082 4.436 4.340 0.025 0.000 0.275 435 R C -2.190 174.171 176.300 0.102 0.000 1.018 435 R CA -0.919 55.189 56.100 0.013 0.000 1.072 435 R CB -0.157 30.137 30.300 -0.011 0.000 0.953 435 R HN 0.059 nan 8.270 nan 0.000 0.419 436 P HA 0.019 nan 4.420 nan 0.000 0.274 436 P C 0.555 177.930 177.300 0.125 0.000 1.231 436 P CA -0.108 63.070 63.100 0.130 0.000 0.790 436 P CB 0.827 32.558 31.700 0.053 0.000 0.951 437 T N -1.936 112.707 114.554 0.148 0.000 3.054 437 T HA 0.233 4.598 4.350 0.025 0.000 0.259 437 T C 0.918 175.669 174.700 0.084 0.000 1.092 437 T CA 0.030 62.173 62.100 0.072 0.000 1.121 437 T CB -0.342 68.555 68.868 0.049 0.000 0.912 437 T HN 0.439 nan 8.240 nan 0.000 0.489 438 A N 3.007 125.891 122.820 0.107 0.000 2.425 438 A HA 0.546 4.881 4.320 0.025 0.000 0.242 438 A C -2.203 175.442 177.584 0.103 0.000 1.077 438 A CA -1.322 50.774 52.037 0.099 0.000 0.781 438 A CB -0.410 18.650 19.000 0.100 0.000 1.020 438 A HN 0.278 nan 8.150 nan 0.000 0.494 439 P HA 0.273 nan 4.420 nan 0.000 0.267 439 P C -1.039 176.333 177.300 0.119 0.000 1.200 439 P CA 0.663 63.831 63.100 0.114 0.000 0.772 439 P CB 0.104 31.923 31.700 0.198 0.000 0.855 440 Y N 0.896 121.066 120.300 -0.217 0.000 2.386 440 Y HA 0.670 5.235 4.550 0.024 0.000 0.334 440 Y C -1.372 174.196 175.900 -0.553 0.000 1.002 440 Y CA -0.938 57.024 58.100 -0.230 0.000 1.068 440 Y CB 1.444 39.795 38.460 -0.182 0.000 1.203 440 Y HN 0.435 nan 8.280 nan 0.000 0.443 441 H N 3.735 122.706 119.070 -0.166 0.000 2.947 441 H HA 0.537 5.108 4.556 0.025 0.000 0.354 441 H C -1.192 174.010 175.328 -0.209 0.000 1.085 441 H CA -0.780 55.074 56.048 -0.323 0.000 1.253 441 H CB 1.688 31.297 29.762 -0.255 0.000 1.757 441 H HN 0.900 nan 8.280 nan 0.000 0.523 442 N N 0.362 118.952 118.700 -0.183 0.000 3.378 442 N HA 0.164 4.919 4.740 0.025 0.000 0.294 442 N C -1.212 174.075 175.510 -0.371 0.000 1.544 442 N CA -0.927 51.970 53.050 -0.256 0.000 0.872 442 N CB 0.565 39.060 38.487 0.013 0.000 1.670 442 N HN 0.294 nan 8.380 nan 0.000 0.551 443 F N -0.306 119.685 119.950 0.068 0.000 2.664 443 F HA 0.356 4.897 4.527 0.024 0.000 0.303 443 F C 0.509 176.351 175.800 0.071 0.000 1.092 443 F CA -0.332 57.703 58.000 0.058 0.000 1.305 443 F CB 0.090 39.117 39.000 0.046 0.000 1.054 443 F HN 0.146 nan 8.300 nan 0.000 0.565 444 Q N 1.421 121.328 119.800 0.180 0.000 2.373 444 Q HA 0.409 4.764 4.340 0.025 0.000 0.255 444 Q C 0.066 176.145 176.000 0.131 0.000 0.980 444 Q CA -0.083 55.807 55.803 0.145 0.000 0.882 444 Q CB 1.009 29.810 28.738 0.105 0.000 1.249 444 Q HN 0.078 nan 8.270 nan 0.000 0.438 445 R N 1.465 122.034 120.500 0.116 0.000 2.836 445 R HA 0.357 4.711 4.340 0.025 0.000 0.269 445 R C -0.658 175.691 176.300 0.081 0.000 1.010 445 R CA -0.617 55.543 56.100 0.099 0.000 0.930 445 R CB 1.230 31.590 30.300 0.100 0.000 1.218 445 R HN 0.724 nan 8.270 nan 0.000 0.473 446 D N -0.187 120.253 120.400 0.067 0.000 3.455 446 D HA -0.174 4.481 4.640 0.025 0.000 0.216 446 D C 0.347 176.680 176.300 0.054 0.000 1.510 446 D CA 1.967 55.998 54.000 0.053 0.000 1.128 446 D CB -1.100 39.730 40.800 0.050 0.000 0.680 446 D HN 0.898 nan 8.370 nan 0.000 0.828 447 G N -1.207 107.624 108.800 0.051 0.000 2.733 447 G HA2 0.154 4.129 3.960 0.025 0.000 0.686 447 G HA3 0.154 4.129 3.960 0.025 0.000 0.686 447 G C -0.220 174.713 174.900 0.055 0.000 1.373 447 G CA 0.091 45.224 45.100 0.054 0.000 0.838 447 G HN 0.804 nan 8.290 nan 0.000 0.588 448 M N 1.171 120.809 119.600 0.064 0.000 2.250 448 M HA 0.437 4.932 4.480 0.025 0.000 0.337 448 M C 1.116 177.495 176.300 0.131 0.000 1.161 448 M CA 1.395 56.744 55.300 0.081 0.000 1.088 448 M CB -0.531 32.117 32.600 0.081 0.000 1.639 448 M HN 1.639 nan 8.290 nan 0.000 0.447 449 H N 1.070 120.144 119.070 0.006 0.000 2.604 449 H HA -0.200 4.370 4.556 0.023 0.000 0.321 449 H C -0.651 174.668 175.328 -0.014 0.000 1.132 449 H CA 0.617 56.665 56.048 -0.000 0.000 1.129 449 H CB -0.577 29.188 29.762 0.005 0.000 1.526 449 H HN 0.656 nan 8.280 nan 0.000 0.415 450 R N 1.503 122.023 120.500 0.033 0.000 2.449 450 R HA 0.043 4.398 4.340 0.025 0.000 0.296 450 R C 0.925 177.217 176.300 -0.012 0.000 1.047 450 R CA 0.210 56.321 56.100 0.018 0.000 1.018 450 R CB 0.313 30.622 30.300 0.014 0.000 0.962 450 R HN 0.436 nan 8.270 nan 0.000 0.428 451 M N 2.581 122.188 119.600 0.011 0.000 2.557 451 M HA 0.235 4.730 4.480 0.025 0.000 0.262 451 M C 0.950 177.247 176.300 -0.006 0.000 1.168 451 M CA 0.964 56.266 55.300 0.003 0.000 1.194 451 M CB -0.819 31.796 32.600 0.024 0.000 1.311 451 M HN 0.701 nan 8.290 nan 0.000 0.489 452 G N 2.047 110.851 108.800 0.006 0.000 2.365 452 G HA2 0.398 4.373 3.960 0.025 0.000 0.249 452 G HA3 0.398 4.373 3.960 0.025 0.000 0.249 452 G C -0.361 174.534 174.900 -0.009 0.000 1.288 452 G CA -0.357 44.741 45.100 -0.004 0.000 0.887 452 G HN 0.309 nan 8.290 nan 0.000 0.524 453 I N 2.822 123.380 120.570 -0.020 0.000 2.306 453 I HA 0.106 4.291 4.170 0.025 0.000 0.288 453 I C -0.297 175.809 176.117 -0.019 0.000 1.036 453 I CA -0.521 60.770 61.300 -0.015 0.000 1.221 453 I CB 0.999 38.990 38.000 -0.016 0.000 1.385 453 I HN 0.338 nan 8.210 nan 0.000 0.472 454 D N 4.824 125.219 120.400 -0.009 0.000 2.312 454 D HA 0.081 4.736 4.640 0.025 0.000 0.252 454 D C 1.201 177.501 176.300 0.001 0.000 1.150 454 D CA 0.190 54.183 54.000 -0.012 0.000 0.870 454 D CB 1.908 42.709 40.800 0.002 0.000 1.153 454 D HN 0.569 nan 8.370 nan 0.000 0.457 455 T N -0.615 113.935 114.554 -0.007 0.000 3.060 455 T HA -0.058 4.307 4.350 0.025 0.000 0.249 455 T C 0.863 175.571 174.700 0.014 0.000 1.079 455 T CA -0.502 61.598 62.100 0.001 0.000 1.013 455 T CB 0.157 69.018 68.868 -0.010 0.000 0.975 455 T HN 0.112 nan 8.240 nan 0.000 0.518 456 N N 3.420 122.130 118.700 0.017 0.000 2.411 456 N HA 0.085 4.840 4.740 0.025 0.000 0.261 456 N C -1.616 173.936 175.510 0.070 0.000 1.248 456 N CA -1.562 51.513 53.050 0.042 0.000 0.885 456 N CB 1.397 39.909 38.487 0.043 0.000 1.062 456 N HN 0.070 nan 8.380 nan 0.000 0.471 457 P HA -0.020 nan 4.420 nan 0.000 0.219 457 P C -0.527 176.839 177.300 0.110 0.000 1.146 457 P CA 0.920 64.068 63.100 0.080 0.000 0.808 457 P CB 0.187 31.929 31.700 0.070 0.000 0.779 458 A N 0.711 123.589 122.820 0.097 0.000 2.312 458 A HA 0.407 4.742 4.320 0.025 0.000 0.326 458 A C 0.542 178.242 177.584 0.194 0.000 1.172 458 A CA -0.632 51.420 52.037 0.026 0.000 0.821 458 A CB -0.029 18.823 19.000 -0.247 0.000 1.166 458 A HN 0.285 nan 8.150 nan 0.000 0.493 459 N N 0.242 119.087 118.700 0.242 0.000 2.291 459 N HA 0.325 5.080 4.740 0.025 0.000 0.244 459 N C -0.795 174.879 175.510 0.273 0.000 1.216 459 N CA -0.363 52.906 53.050 0.365 0.000 0.879 459 N CB 0.327 38.978 38.487 0.274 0.000 1.167 459 N HN 0.692 nan 8.380 nan 0.000 0.515 460 Y N -0.829 119.334 120.300 -0.228 0.000 2.597 460 Y HA 0.696 5.261 4.550 0.024 0.000 0.340 460 Y C -1.368 173.888 175.900 -1.073 0.000 1.097 460 Y CA -1.383 56.407 58.100 -0.516 0.000 1.037 460 Y CB 1.079 39.401 38.460 -0.231 0.000 1.305 460 Y HN 0.052 nan 8.280 nan 0.000 0.463 461 E N 0.968 120.631 120.200 -0.896 0.000 2.340 461 E HA 0.643 5.008 4.350 0.025 0.000 0.273 461 E C -3.132 173.356 176.600 -0.186 0.000 0.891 461 E CA -2.065 53.941 56.400 -0.656 0.000 0.757 461 E CB 1.642 30.916 29.700 -0.709 0.000 1.231 461 E HN 0.576 nan 8.360 nan 0.000 0.439 462 P HA 0.287 nan 4.420 nan 0.000 0.275 462 P C -1.265 175.973 177.300 -0.103 0.000 1.228 462 P CA -0.455 62.574 63.100 -0.119 0.000 0.786 462 P CB 0.500 32.168 31.700 -0.052 0.000 0.927 463 N N -1.529 117.040 118.700 -0.218 0.000 2.284 463 N HA 0.329 5.084 4.740 0.025 0.000 0.289 463 N C 0.232 175.689 175.510 -0.089 0.000 1.179 463 N CA -0.746 52.184 53.050 -0.199 0.000 0.774 463 N CB 1.429 39.484 38.487 -0.721 0.000 1.548 463 N HN 0.192 nan 8.380 nan 0.000 0.473 464 S N 0.732 116.431 115.700 -0.001 0.000 2.497 464 S HA -0.002 4.483 4.470 0.025 0.000 0.221 464 S C 1.574 176.186 174.600 0.020 0.000 1.037 464 S CA 0.043 58.245 58.200 0.003 0.000 0.920 464 S CB -0.766 62.449 63.200 0.024 0.000 0.800 464 S HN 0.710 nan 8.310 nan 0.000 0.505 465 I N -0.560 120.032 120.570 0.037 0.000 2.756 465 I HA 0.169 4.354 4.170 0.025 0.000 0.262 465 I C 1.271 177.420 176.117 0.054 0.000 1.225 465 I CA 1.348 62.681 61.300 0.055 0.000 1.472 465 I CB -0.424 37.628 38.000 0.086 0.000 1.094 465 I HN 0.180 nan 8.210 nan 0.000 0.454 466 N N 1.184 119.912 118.700 0.047 0.000 2.291 466 N HA 0.042 4.797 4.740 0.025 0.000 0.244 466 N C -0.098 175.517 175.510 0.174 0.000 1.216 466 N CA -0.041 53.078 53.050 0.115 0.000 0.879 466 N CB -0.020 38.550 38.487 0.138 0.000 1.167 466 N HN 0.200 nan 8.380 nan 0.000 0.515 467 D N 0.645 121.095 120.400 0.083 0.000 2.837 467 D HA -0.258 4.397 4.640 0.025 0.000 0.230 467 D C -0.040 176.140 176.300 -0.198 0.000 1.152 467 D CA 1.063 55.072 54.000 0.015 0.000 0.736 467 D CB -1.348 39.544 40.800 0.152 0.000 1.084 467 D HN 0.483 nan 8.370 nan 0.000 0.429 468 N N -1.731 116.893 118.700 -0.127 0.000 2.800 468 N HA -0.249 4.506 4.740 0.025 0.000 0.250 468 N C -0.770 174.666 175.510 -0.123 0.000 1.078 468 N CA 1.415 54.363 53.050 -0.170 0.000 0.804 468 N CB -1.322 37.018 38.487 -0.244 0.000 1.135 468 N HN 0.538 nan 8.380 nan 0.000 0.565 469 W N 1.124 122.473 121.300 0.081 0.000 2.313 469 W HA 0.414 5.089 4.660 0.024 0.000 0.328 469 W C -1.609 174.939 176.519 0.049 0.000 1.197 469 W CA -1.558 55.814 57.345 0.044 0.000 1.235 469 W CB 0.489 29.927 29.460 -0.036 0.000 1.158 469 W HN -0.014 nan 8.180 nan 0.000 0.578 470 P HA 0.201 nan 4.420 nan 0.000 0.274 470 P C -0.683 176.736 177.300 0.198 0.000 1.231 470 P CA -0.203 63.022 63.100 0.208 0.000 0.790 470 P CB 0.982 32.651 31.700 -0.051 0.000 0.951 471 R N 1.071 121.675 120.500 0.173 0.000 2.604 471 R HA 0.298 4.653 4.340 0.025 0.000 0.287 471 R C 0.369 176.701 176.300 0.054 0.000 0.970 471 R CA -0.774 55.312 56.100 -0.022 0.000 0.946 471 R CB 1.160 31.230 30.300 -0.382 0.000 1.127 471 R HN 0.502 nan 8.270 nan 0.000 0.473 472 E N 0.685 120.907 120.200 0.036 0.000 2.438 472 E HA 0.009 4.374 4.350 0.025 0.000 0.261 472 E C -0.532 176.090 176.600 0.038 0.000 1.103 472 E CA 0.717 57.148 56.400 0.051 0.000 0.959 472 E CB 0.607 30.328 29.700 0.035 0.000 0.958 472 E HN 0.361 nan 8.360 nan 0.000 0.447 473 T N 3.382 117.969 114.554 0.055 0.000 2.881 473 T HA 0.314 4.679 4.350 0.025 0.000 0.291 473 T C -2.466 172.257 174.700 0.039 0.000 0.990 473 T CA -1.549 60.581 62.100 0.051 0.000 0.976 473 T CB 1.427 70.337 68.868 0.070 0.000 0.970 473 T HN 0.239 nan 8.240 nan 0.000 0.438 474 P HA 0.155 nan 4.420 nan 0.000 0.266 474 P C -2.376 174.930 177.300 0.010 0.000 1.193 474 P CA -0.996 62.111 63.100 0.012 0.000 0.770 474 P CB -0.291 31.412 31.700 0.005 0.000 0.836 475 P HA 0.249 nan 4.420 nan 0.000 0.270 475 P C -0.017 177.272 177.300 -0.018 0.000 1.223 475 P CA 0.329 63.415 63.100 -0.023 0.000 0.785 475 P CB 0.764 32.430 31.700 -0.056 0.000 0.923 476 G N 0.687 109.475 108.800 -0.020 0.000 2.548 476 G HA2 0.400 4.375 3.960 0.025 0.000 0.301 476 G HA3 0.400 4.375 3.960 0.025 0.000 0.301 476 G C -2.527 172.362 174.900 -0.018 0.000 1.349 476 G CA -0.704 44.387 45.100 -0.015 0.000 0.792 476 G HN 0.151 nan 8.290 nan 0.000 0.481 477 P HA 0.118 nan 4.420 nan 0.000 0.221 477 P C 0.101 177.395 177.300 -0.010 0.000 1.150 477 P CA 1.094 64.184 63.100 -0.016 0.000 0.800 477 P CB 0.341 32.033 31.700 -0.012 0.000 0.787 478 K N -0.853 119.548 120.400 0.002 0.000 2.542 478 K HA 0.296 4.631 4.320 0.025 0.000 0.259 478 K C -0.112 176.502 176.600 0.024 0.000 0.932 478 K CA -0.852 55.443 56.287 0.013 0.000 0.820 478 K CB 2.279 34.788 32.500 0.015 0.000 1.345 478 K HN -0.328 nan 8.250 nan 0.000 0.432 479 R N -0.671 119.851 120.500 0.036 0.000 3.875 479 R HA -0.144 4.211 4.340 0.025 0.000 0.321 479 R C 0.107 176.436 176.300 0.048 0.000 1.196 479 R CA 1.089 57.217 56.100 0.048 0.000 0.868 479 R CB -2.203 28.124 30.300 0.045 0.000 1.333 479 R HN 0.964 nan 8.270 nan 0.000 0.522 480 G N -0.692 108.131 108.800 0.039 0.000 2.502 480 G HA2 0.605 4.579 3.960 0.025 0.000 0.305 480 G HA3 0.605 4.579 3.960 0.025 0.000 0.305 480 G C 0.395 175.327 174.900 0.054 0.000 1.190 480 G CA 0.100 45.221 45.100 0.035 0.000 0.933 480 G HN 0.242 nan 8.290 nan 0.000 0.503 481 G N -1.252 107.582 108.800 0.057 0.000 2.606 481 G HA2 0.402 4.377 3.960 0.025 0.000 0.252 481 G HA3 0.402 4.377 3.960 0.025 0.000 0.252 481 G C -0.655 174.301 174.900 0.094 0.000 1.206 481 G CA -0.560 44.596 45.100 0.093 0.000 0.861 481 G HN 0.457 nan 8.290 nan 0.000 0.561 482 F N 0.379 120.344 119.950 0.024 0.000 2.467 482 F HA 0.387 4.929 4.527 0.026 0.000 0.362 482 F C 0.552 176.366 175.800 0.023 0.000 1.090 482 F CA -0.159 57.851 58.000 0.016 0.000 1.202 482 F CB 0.847 39.859 39.000 0.021 0.000 1.113 482 F HN 0.444 nan 8.300 nan 0.000 0.541 483 E N 3.984 123.846 120.200 -0.563 0.000 2.272 483 E HA 0.322 4.687 4.350 0.025 0.000 0.269 483 E C -1.171 175.107 176.600 -0.536 0.000 0.877 483 E CA -0.797 55.413 56.400 -0.318 0.000 0.755 483 E CB 1.631 31.225 29.700 -0.177 0.000 1.192 483 E HN 0.609 nan 8.360 nan 0.000 0.422 484 S N 2.398 117.995 115.700 -0.172 0.000 2.576 484 S HA 0.037 4.522 4.470 0.025 0.000 0.276 484 S C -0.589 173.988 174.600 -0.038 0.000 1.339 484 S CA -0.383 57.789 58.200 -0.046 0.000 1.039 484 S CB 0.183 63.484 63.200 0.169 0.000 0.902 484 S HN 0.467 nan 8.310 nan 0.000 0.516 485 Y N 2.424 122.650 120.300 -0.123 0.000 2.610 485 Y HA -0.018 4.547 4.550 0.025 0.000 0.332 485 Y C 0.835 176.712 175.900 -0.040 0.000 1.201 485 Y CA 0.225 58.266 58.100 -0.097 0.000 1.465 485 Y CB 0.227 38.627 38.460 -0.100 0.000 1.283 485 Y HN 0.578 nan 8.280 nan 0.000 0.563 486 Q N 5.286 124.710 119.800 -0.627 0.000 3.247 486 Q HA 0.033 4.388 4.340 0.025 0.000 0.326 486 Q C -0.326 175.375 176.000 -0.498 0.000 1.402 486 Q CA -0.094 55.459 55.803 -0.417 0.000 0.994 486 Q CB -0.134 28.428 28.738 -0.294 0.000 1.647 486 Q HN 0.639 nan 8.270 nan 0.000 0.523 487 E N 1.675 121.667 120.200 -0.348 0.000 2.414 487 E HA -0.027 4.338 4.350 0.025 0.000 0.263 487 E C -0.270 176.297 176.600 -0.054 0.000 1.000 487 E CA -0.294 56.032 56.400 -0.123 0.000 0.914 487 E CB 0.643 30.408 29.700 0.109 0.000 0.948 487 E HN 0.253 nan 8.360 nan 0.000 0.444 488 R N 3.394 123.883 120.500 -0.018 0.000 2.401 488 R HA 0.146 4.501 4.340 0.025 0.000 0.299 488 R C -1.201 175.120 176.300 0.036 0.000 1.064 488 R CA -0.314 55.788 56.100 0.004 0.000 1.000 488 R CB 0.535 30.844 30.300 0.016 0.000 0.973 488 R HN 0.291 nan 8.270 nan 0.000 0.438 489 V N 4.638 124.567 119.914 0.024 0.000 2.483 489 V HA 0.420 4.554 4.120 0.025 0.000 0.295 489 V C -0.213 175.895 176.094 0.023 0.000 1.035 489 V CA -0.503 61.816 62.300 0.032 0.000 0.896 489 V CB 1.504 33.343 31.823 0.027 0.000 0.986 489 V HN 0.831 nan 8.190 nan 0.000 0.447 490 E N 2.473 122.688 120.200 0.025 0.000 2.343 490 E HA 0.599 4.964 4.350 0.025 0.000 0.288 490 E C -0.564 176.042 176.600 0.010 0.000 0.907 490 E CA -0.023 56.386 56.400 0.015 0.000 0.792 490 E CB 2.072 31.781 29.700 0.015 0.000 1.275 490 E HN 0.993 nan 8.360 nan 0.000 0.402 491 G N 2.923 111.725 108.800 0.002 0.000 2.324 491 G HA2 0.095 4.070 3.960 0.025 0.000 0.293 491 G HA3 0.095 4.070 3.960 0.025 0.000 0.293 491 G C -1.432 173.463 174.900 -0.009 0.000 1.297 491 G CA -0.899 44.198 45.100 -0.004 0.000 0.853 491 G HN 0.384 nan 8.290 nan 0.000 0.535 492 N N 0.163 118.855 118.700 -0.014 0.000 2.489 492 N HA 0.373 5.128 4.740 0.025 0.000 0.284 492 N C -0.214 175.283 175.510 -0.021 0.000 1.158 492 N CA -0.384 52.656 53.050 -0.016 0.000 0.965 492 N CB 1.264 39.740 38.487 -0.018 0.000 1.195 492 N HN 0.467 nan 8.380 nan 0.000 0.506 493 K N 0.901 121.288 120.400 -0.022 0.000 2.307 493 K HA 0.158 4.493 4.320 0.025 0.000 0.285 493 K C -0.359 176.220 176.600 -0.035 0.000 1.073 493 K CA -0.083 56.188 56.287 -0.028 0.000 0.996 493 K CB -0.192 32.292 32.500 -0.025 0.000 0.994 493 K HN 0.330 nan 8.250 nan 0.000 0.452 494 V N 0.276 120.164 119.914 -0.043 0.000 2.876 494 V HA 0.485 4.620 4.120 0.025 0.000 0.312 494 V C -0.534 175.520 176.094 -0.066 0.000 1.085 494 V CA -1.358 60.912 62.300 -0.050 0.000 0.945 494 V CB 2.033 33.828 31.823 -0.047 0.000 1.017 494 V HN 0.595 nan 8.190 nan 0.000 0.428 495 R N 2.374 122.830 120.500 -0.072 0.000 2.369 495 R HA 0.616 4.971 4.340 0.025 0.000 0.310 495 R C -0.537 175.716 176.300 -0.079 0.000 1.141 495 R CA -0.173 55.872 56.100 -0.091 0.000 1.116 495 R CB 0.939 31.171 30.300 -0.113 0.000 1.135 495 R HN 0.949 nan 8.270 nan 0.000 0.529 496 E N 2.118 122.268 120.200 -0.084 0.000 2.304 496 E HA 0.238 4.603 4.350 0.025 0.000 0.277 496 E C -1.222 175.310 176.600 -0.113 0.000 0.898 496 E CA -1.041 55.312 56.400 -0.079 0.000 0.764 496 E CB 1.546 31.205 29.700 -0.068 0.000 1.216 496 E HN 0.128 nan 8.360 nan 0.000 0.419 497 R N 1.824 122.261 120.500 -0.104 0.000 2.438 497 R HA 0.208 4.563 4.340 0.025 0.000 0.287 497 R C -0.500 175.683 176.300 -0.195 0.000 1.077 497 R CA 0.127 56.126 56.100 -0.169 0.000 1.034 497 R CB 1.105 31.364 30.300 -0.068 0.000 0.993 497 R HN 0.423 nan 8.270 nan 0.000 0.459 498 S N 4.713 120.192 115.700 -0.369 0.000 2.549 498 S HA 0.094 4.579 4.470 0.025 0.000 0.286 498 S C -1.532 173.040 174.600 -0.046 0.000 1.314 498 S CA -1.170 56.901 58.200 -0.215 0.000 1.062 498 S CB 0.640 63.669 63.200 -0.285 0.000 0.865 498 S HN 0.528 nan 8.310 nan 0.000 0.498 499 P HA -0.095 nan 4.420 nan 0.000 0.219 499 P C 1.489 178.838 177.300 0.082 0.000 1.146 499 P CA 1.135 64.255 63.100 0.033 0.000 0.808 499 P CB -0.069 31.640 31.700 0.016 0.000 0.779 500 S N -2.058 113.729 115.700 0.145 0.000 2.474 500 S HA -0.102 4.383 4.470 0.025 0.000 0.235 500 S C 1.418 176.187 174.600 0.281 0.000 0.997 500 S CA 0.823 59.144 58.200 0.201 0.000 0.949 500 S CB -1.320 62.031 63.200 0.253 0.000 0.766 500 S HN -0.020 nan 8.310 nan 0.000 0.517 501 F N 2.204 122.148 119.950 -0.009 0.000 2.797 501 F HA 0.400 4.942 4.527 0.025 0.000 0.302 501 F C 1.941 177.682 175.800 -0.098 0.000 1.130 501 F CA -0.874 57.117 58.000 -0.014 0.000 1.387 501 F CB -0.573 38.450 39.000 0.038 0.000 1.107 501 F HN 0.348 nan 8.300 nan 0.000 0.577 502 G N 0.515 109.317 108.800 0.004 0.000 3.471 502 G HA2 0.090 4.065 3.960 0.025 0.000 0.254 502 G HA3 0.090 4.065 3.960 0.025 0.000 0.254 502 G C -0.011 174.469 174.900 -0.699 0.000 1.199 502 G CA 0.147 45.068 45.100 -0.299 0.000 1.683 502 G HN 0.056 nan 8.290 nan 0.000 0.625 503 E N 0.003 119.713 120.200 -0.816 0.000 2.275 503 E HA 0.347 4.712 4.350 0.025 0.000 0.270 503 E C -0.929 175.254 176.600 -0.695 0.000 0.882 503 E CA -0.765 55.234 56.400 -0.668 0.000 0.758 503 E CB 1.606 31.167 29.700 -0.232 0.000 1.195 503 E HN 0.193 nan 8.360 nan 0.000 0.419 504 Y N 2.434 122.545 120.300 -0.315 0.000 2.448 504 Y HA 0.206 4.771 4.550 0.025 0.000 0.257 504 Y C 0.730 176.373 175.900 -0.429 0.000 1.089 504 Y CA -0.125 57.698 58.100 -0.462 0.000 1.245 504 Y CB 0.418 38.452 38.460 -0.709 0.000 1.282 504 Y HN 0.417 nan 8.280 nan 0.000 0.529 505 Y N -1.862 118.531 120.300 0.155 0.000 2.483 505 Y HA 0.172 4.737 4.550 0.025 0.000 0.258 505 Y C 2.203 178.170 175.900 0.113 0.000 1.083 505 Y CA 0.194 58.378 58.100 0.139 0.000 1.283 505 Y CB -0.093 38.450 38.460 0.139 0.000 1.178 505 Y HN -0.127 nan 8.280 nan 0.000 0.515 506 S N -0.458 115.384 115.700 0.236 0.000 2.368 506 S HA -0.164 4.321 4.470 0.025 0.000 0.224 506 S C 1.464 176.140 174.600 0.127 0.000 1.029 506 S CA 1.535 59.850 58.200 0.192 0.000 0.988 506 S CB -0.295 63.023 63.200 0.196 0.000 0.838 506 S HN 0.480 nan 8.310 nan 0.000 0.462 507 H N 1.489 120.484 119.070 -0.126 0.000 2.321 507 H HA 0.026 4.597 4.556 0.025 0.000 0.300 507 H C -0.621 174.511 175.328 -0.326 0.000 1.087 507 H CA 1.248 57.066 56.048 -0.384 0.000 1.319 507 H CB -1.816 27.477 29.762 -0.782 0.000 1.379 507 H HN 0.308 nan 8.280 nan 0.000 0.501 508 P HA -0.203 nan 4.420 nan 0.000 0.216 508 P C 1.551 179.037 177.300 0.311 0.000 1.157 508 P CA 1.794 65.046 63.100 0.253 0.000 0.880 508 P CB 0.059 31.938 31.700 0.298 0.000 0.791 509 R N -0.490 120.147 120.500 0.227 0.000 2.073 509 R HA -0.149 4.206 4.340 0.025 0.000 0.234 509 R C 2.212 178.643 176.300 0.219 0.000 1.134 509 R CA 1.342 57.579 56.100 0.229 0.000 0.952 509 R CB -1.155 29.241 30.300 0.161 0.000 0.850 509 R HN 0.058 nan 8.270 nan 0.000 0.433 510 L N 0.542 121.830 121.223 0.109 0.000 2.043 510 L HA -0.183 4.172 4.340 0.025 0.000 0.212 510 L C 2.007 178.938 176.870 0.103 0.000 1.075 510 L CA 1.793 56.661 54.840 0.047 0.000 0.752 510 L CB -0.671 41.335 42.059 -0.089 0.000 0.891 510 L HN 0.258 nan 8.230 nan 0.000 0.432 511 F N -0.926 119.053 119.950 0.047 0.000 2.113 511 F HA -0.260 4.282 4.527 0.025 0.000 0.297 511 F C 2.318 178.123 175.800 0.009 0.000 1.103 511 F CA 2.040 60.050 58.000 0.017 0.000 1.248 511 F CB -0.637 38.405 39.000 0.070 0.000 0.999 511 F HN 0.375 nan 8.300 nan 0.000 0.475 512 W N 1.465 122.778 121.300 0.022 0.000 2.318 512 W HA -0.261 4.414 4.660 0.025 0.000 0.313 512 W C 1.687 178.095 176.519 -0.185 0.000 1.221 512 W CA 1.913 59.211 57.345 -0.080 0.000 1.266 512 W CB -0.771 28.724 29.460 0.058 0.000 1.150 512 W HN 0.100 nan 8.180 nan 0.000 0.496 513 L N 1.095 122.235 121.223 -0.138 0.000 2.376 513 L HA -0.142 4.213 4.340 0.025 0.000 0.219 513 L C 2.385 179.066 176.870 -0.315 0.000 1.133 513 L CA 1.055 55.752 54.840 -0.238 0.000 0.816 513 L CB -0.659 41.391 42.059 -0.014 0.000 0.933 513 L HN -0.147 nan 8.230 nan 0.000 0.449 514 S N -1.385 114.113 115.700 -0.337 0.000 2.562 514 S HA 0.039 4.524 4.470 0.025 0.000 0.221 514 S C 0.748 175.058 174.600 -0.483 0.000 0.975 514 S CA 0.172 58.165 58.200 -0.346 0.000 0.918 514 S CB 0.005 63.035 63.200 -0.283 0.000 0.772 514 S HN 0.298 nan 8.310 nan 0.000 0.531 515 Q N 2.121 121.525 119.800 -0.659 0.000 2.260 515 Q HA 0.300 4.655 4.340 0.025 0.000 0.242 515 Q C 0.622 176.222 176.000 -0.667 0.000 0.932 515 Q CA -0.123 55.252 55.803 -0.713 0.000 0.891 515 Q CB 0.480 28.724 28.738 -0.824 0.000 1.222 515 Q HN 0.422 nan 8.270 nan 0.000 0.453 516 T N -1.930 112.184 114.554 -0.733 0.000 2.766 516 T HA 0.159 4.524 4.350 0.025 0.000 0.295 516 T C -1.761 172.464 174.700 -0.791 0.000 1.024 516 T CA -1.271 60.352 62.100 -0.796 0.000 1.018 516 T CB 0.290 68.405 68.868 -1.255 0.000 1.002 516 T HN 0.222 nan 8.240 nan 0.000 0.532 517 P HA 0.003 nan 4.420 nan 0.000 0.217 517 P C 1.399 178.486 177.300 -0.355 0.000 1.150 517 P CA 0.907 63.782 63.100 -0.375 0.000 0.832 517 P CB -0.248 31.351 31.700 -0.169 0.000 0.787 518 F N -0.081 119.680 119.950 -0.314 0.000 2.234 518 F HA -0.001 4.541 4.527 0.025 0.000 0.299 518 F C 1.800 177.258 175.800 -0.571 0.000 1.087 518 F CA 0.959 58.707 58.000 -0.420 0.000 1.340 518 F CB -1.572 37.169 39.000 -0.432 0.000 1.031 518 F HN -0.098 nan 8.300 nan 0.000 0.500 519 E N 0.500 120.151 120.200 -0.915 0.000 2.106 519 E HA -0.198 4.167 4.350 0.025 0.000 0.192 519 E C 2.237 178.649 176.600 -0.313 0.000 0.984 519 E CA 1.336 57.413 56.400 -0.538 0.000 0.806 519 E CB -0.251 29.068 29.700 -0.635 0.000 0.750 519 E HN 0.629 nan 8.360 nan 0.000 0.458 520 Q N 0.319 119.849 119.800 -0.449 0.000 2.050 520 Q HA -0.212 4.142 4.340 0.025 0.000 0.202 520 Q C 2.271 178.301 176.000 0.050 0.000 0.980 520 Q CA 1.348 56.920 55.803 -0.384 0.000 0.840 520 Q CB -0.182 28.065 28.738 -0.819 0.000 0.898 520 Q HN -0.004 nan 8.270 nan 0.000 0.424 521 R N 0.595 121.099 120.500 0.006 0.000 2.103 521 R HA -0.181 4.174 4.340 0.025 0.000 0.242 521 R C 1.630 178.114 176.300 0.307 0.000 1.142 521 R CA 2.004 58.199 56.100 0.159 0.000 0.960 521 R CB -0.547 29.818 30.300 0.108 0.000 0.858 521 R HN 0.505 nan 8.270 nan 0.000 0.439 522 H N -0.935 118.230 119.070 0.158 0.000 2.423 522 H HA 0.005 4.576 4.556 0.025 0.000 0.297 522 H C 2.042 177.492 175.328 0.202 0.000 1.075 522 H CA 1.131 57.290 56.048 0.184 0.000 1.342 522 H CB 0.032 29.909 29.762 0.193 0.000 1.395 522 H HN 0.185 nan 8.280 nan 0.000 0.530 523 I N 0.236 121.025 120.570 0.366 0.000 2.179 523 I HA -0.253 3.932 4.170 0.025 0.000 0.242 523 I C 2.316 178.733 176.117 0.500 0.000 1.088 523 I CA 0.762 62.316 61.300 0.423 0.000 1.357 523 I CB -0.148 38.193 38.000 0.569 0.000 1.051 523 I HN 0.078 nan 8.210 nan 0.000 0.409 524 V N 0.905 121.104 119.914 0.475 0.000 2.282 524 V HA -0.333 3.802 4.120 0.025 0.000 0.249 524 V C 2.005 178.285 176.094 0.310 0.000 1.057 524 V CA 2.139 64.667 62.300 0.380 0.000 1.032 524 V CB -0.656 31.345 31.823 0.297 0.000 0.645 524 V HN 0.423 nan 8.190 nan 0.000 0.447 525 D N 0.174 120.737 120.400 0.272 0.000 2.219 525 D HA -0.067 4.588 4.640 0.025 0.000 0.205 525 D C 2.132 178.521 176.300 0.147 0.000 0.970 525 D CA 1.389 55.513 54.000 0.208 0.000 0.851 525 D CB -0.444 40.480 40.800 0.208 0.000 0.943 525 D HN 0.485 nan 8.370 nan 0.000 0.488 526 G N 0.027 108.900 108.800 0.123 0.000 2.414 526 G HA2 -0.228 3.747 3.960 0.025 0.000 0.215 526 G HA3 -0.228 3.747 3.960 0.025 0.000 0.215 526 G C 1.426 176.332 174.900 0.009 0.000 1.188 526 G CA 0.079 45.160 45.100 -0.031 0.000 0.783 526 G HN 0.154 nan 8.290 nan 0.000 0.537 527 F N 1.930 121.925 119.950 0.074 0.000 2.126 527 F HA -0.106 4.436 4.527 0.025 0.000 0.299 527 F C 3.159 178.871 175.800 -0.146 0.000 1.096 527 F CA 1.656 59.629 58.000 -0.045 0.000 1.255 527 F CB -0.328 38.656 39.000 -0.026 0.000 0.997 527 F HN 0.088 nan 8.300 nan 0.000 0.479 528 S N -0.247 115.551 115.700 0.164 0.000 2.355 528 S HA -0.198 4.287 4.470 0.025 0.000 0.222 528 S C 1.881 176.491 174.600 0.015 0.000 1.031 528 S CA 1.234 59.471 58.200 0.063 0.000 0.993 528 S CB -0.796 62.467 63.200 0.104 0.000 0.859 528 S HN 0.404 nan 8.310 nan 0.000 0.453 529 F N 2.565 122.471 119.950 -0.074 0.000 2.102 529 F HA -0.101 4.441 4.527 0.025 0.000 0.298 529 F C 2.391 178.116 175.800 -0.125 0.000 1.105 529 F CA 1.474 59.416 58.000 -0.096 0.000 1.239 529 F CB -0.223 38.657 39.000 -0.200 0.000 0.991 529 F HN 0.119 nan 8.300 nan 0.000 0.474 530 E N 0.587 120.741 120.200 -0.076 0.000 2.077 530 E HA -0.205 4.160 4.350 0.025 0.000 0.193 530 E C 2.354 178.733 176.600 -0.369 0.000 0.989 530 E CA 1.558 57.875 56.400 -0.138 0.000 0.800 530 E CB -0.511 29.260 29.700 0.118 0.000 0.746 530 E HN 0.481 nan 8.360 nan 0.000 0.452 531 L N 1.398 122.328 121.223 -0.488 0.000 2.275 531 L HA -0.133 4.221 4.340 0.025 0.000 0.215 531 L C 2.689 179.377 176.870 -0.303 0.000 1.119 531 L CA 1.037 55.571 54.840 -0.511 0.000 0.790 531 L CB -0.434 41.350 42.059 -0.458 0.000 0.919 531 L HN 0.137 nan 8.230 nan 0.000 0.443 532 S N -0.619 114.914 115.700 -0.279 0.000 2.442 532 S HA -0.124 4.361 4.470 0.025 0.000 0.236 532 S C 1.752 176.218 174.600 -0.224 0.000 1.007 532 S CA 0.709 58.770 58.200 -0.231 0.000 0.965 532 S CB -0.098 62.968 63.200 -0.224 0.000 0.773 532 S HN 0.267 nan 8.310 nan 0.000 0.504 533 K N 1.199 121.442 120.400 -0.261 0.000 2.404 533 K HA 0.348 4.683 4.320 0.025 0.000 0.194 533 K C -0.175 176.411 176.600 -0.023 0.000 1.023 533 K CA -0.028 56.173 56.287 -0.144 0.000 1.094 533 K CB 0.179 32.589 32.500 -0.151 0.000 0.841 533 K HN 0.322 nan 8.250 nan 0.000 0.523 534 V N 2.113 121.989 119.914 -0.063 0.000 2.408 534 V HA 0.025 4.160 4.120 0.025 0.000 0.267 534 V C 1.654 177.727 176.094 -0.035 0.000 1.047 534 V CA -0.124 62.166 62.300 -0.016 0.000 0.937 534 V CB 1.373 33.150 31.823 -0.077 0.000 0.999 534 V HN -0.134 nan 8.190 nan 0.000 0.472 535 V N 5.040 124.958 119.914 0.007 0.000 2.407 535 V HA -0.016 4.119 4.120 0.025 0.000 0.245 535 V C 1.331 177.411 176.094 -0.024 0.000 1.041 535 V CA 1.091 63.394 62.300 0.005 0.000 1.040 535 V CB -0.439 31.407 31.823 0.039 0.000 0.671 535 V HN 0.763 nan 8.190 nan 0.000 0.455 536 R N 1.281 121.743 120.500 -0.063 0.000 2.291 536 R HA 0.138 4.493 4.340 0.025 0.000 0.333 536 R C -1.648 174.542 176.300 -0.184 0.000 1.082 536 R CA -1.217 54.818 56.100 -0.108 0.000 0.948 536 R CB 0.351 30.521 30.300 -0.216 0.000 1.009 536 R HN 0.286 nan 8.270 nan 0.000 0.460 537 P HA -0.204 nan 4.420 nan 0.000 0.219 537 P C 0.750 178.011 177.300 -0.064 0.000 1.146 537 P CA 1.112 64.179 63.100 -0.054 0.000 0.808 537 P CB -0.037 31.668 31.700 0.008 0.000 0.779 538 Y N -1.021 119.279 120.300 -0.001 0.000 2.256 538 Y HA -0.129 4.435 4.550 0.025 0.000 0.288 538 Y C 1.975 177.880 175.900 0.009 0.000 1.155 538 Y CA 0.788 58.889 58.100 0.001 0.000 1.203 538 Y CB -1.812 36.649 38.460 0.002 0.000 0.980 538 Y HN -0.117 nan 8.280 nan 0.000 0.530 539 I N 0.830 120.954 120.570 -0.743 0.000 2.179 539 I HA -0.263 3.922 4.170 0.025 0.000 0.242 539 I C 2.604 178.628 176.117 -0.155 0.000 1.088 539 I CA 1.475 62.525 61.300 -0.416 0.000 1.357 539 I CB -0.446 37.297 38.000 -0.429 0.000 1.051 539 I HN 0.191 nan 8.210 nan 0.000 0.409 540 R N 0.879 121.278 120.500 -0.169 0.000 2.096 540 R HA -0.221 4.134 4.340 0.025 0.000 0.240 540 R C 2.172 178.422 176.300 -0.083 0.000 1.139 540 R CA 1.793 57.810 56.100 -0.138 0.000 0.952 540 R CB -0.512 29.706 30.300 -0.136 0.000 0.854 540 R HN 0.481 nan 8.270 nan 0.000 0.436 541 E N 0.341 120.514 120.200 -0.044 0.000 2.058 541 E HA -0.192 4.173 4.350 0.025 0.000 0.194 541 E C 2.179 178.785 176.600 0.011 0.000 0.997 541 E CA 1.118 57.513 56.400 -0.008 0.000 0.801 541 E CB -0.086 29.635 29.700 0.034 0.000 0.746 541 E HN 0.299 nan 8.360 nan 0.000 0.450 542 R N 0.321 120.845 120.500 0.039 0.000 2.096 542 R HA -0.102 4.253 4.340 0.025 0.000 0.235 542 R C 2.395 178.725 176.300 0.050 0.000 1.127 542 R CA 1.026 57.163 56.100 0.061 0.000 0.968 542 R CB -0.182 30.175 30.300 0.096 0.000 0.861 542 R HN 0.062 nan 8.270 nan 0.000 0.440 543 V N 0.161 120.097 119.914 0.037 0.000 2.453 543 V HA -0.167 3.968 4.120 0.025 0.000 0.247 543 V C 2.253 178.335 176.094 -0.020 0.000 1.048 543 V CA 1.281 63.618 62.300 0.061 0.000 1.049 543 V CB -0.173 31.703 31.823 0.089 0.000 0.672 543 V HN 0.113 nan 8.190 nan 0.000 0.457 544 V N 0.569 120.445 119.914 -0.064 0.000 2.343 544 V HA -0.320 3.815 4.120 0.025 0.000 0.247 544 V C 2.320 178.375 176.094 -0.065 0.000 1.051 544 V CA 2.513 64.751 62.300 -0.104 0.000 1.036 544 V CB -0.638 31.126 31.823 -0.099 0.000 0.654 544 V HN 0.649 nan 8.190 nan 0.000 0.451 545 D N -0.530 119.866 120.400 -0.007 0.000 2.104 545 D HA -0.231 4.424 4.640 0.025 0.000 0.194 545 D C 2.270 178.650 176.300 0.134 0.000 0.994 545 D CA 1.702 55.730 54.000 0.046 0.000 0.830 545 D CB -0.087 40.762 40.800 0.082 0.000 0.959 545 D HN 0.530 nan 8.370 nan 0.000 0.452 546 Q N -0.318 119.545 119.800 0.104 0.000 2.061 546 Q HA -0.150 4.205 4.340 0.025 0.000 0.204 546 Q C 2.555 178.589 176.000 0.057 0.000 0.984 546 Q CA 1.083 56.962 55.803 0.126 0.000 0.846 546 Q CB -0.242 28.584 28.738 0.147 0.000 0.902 546 Q HN 0.407 nan 8.270 nan 0.000 0.421 547 L N 0.211 121.398 121.223 -0.060 0.000 2.129 547 L HA -0.225 4.130 4.340 0.025 0.000 0.212 547 L C 2.366 179.115 176.870 -0.202 0.000 1.087 547 L CA 0.986 55.705 54.840 -0.201 0.000 0.757 547 L CB -0.648 41.185 42.059 -0.377 0.000 0.896 547 L HN 0.242 nan 8.230 nan 0.000 0.434 548 A N -1.134 121.591 122.820 -0.159 0.000 2.119 548 A HA -0.151 4.184 4.320 0.025 0.000 0.217 548 A C 1.673 179.061 177.584 -0.327 0.000 1.153 548 A CA 0.887 52.787 52.037 -0.228 0.000 0.692 548 A CB -0.653 18.218 19.000 -0.214 0.000 0.799 548 A HN 0.445 nan 8.150 nan 0.000 0.458 549 H N -1.205 117.646 119.070 -0.366 0.000 2.548 549 H HA 0.283 4.854 4.556 0.025 0.000 0.265 549 H C 1.487 176.507 175.328 -0.514 0.000 0.969 549 H CA 0.878 56.560 56.048 -0.610 0.000 1.155 549 H CB 0.127 29.099 29.762 -1.317 0.000 1.394 549 H HN 0.497 nan 8.280 nan 0.000 0.570 550 I N -1.265 119.196 120.570 -0.183 0.000 2.899 550 I HA 0.106 4.291 4.170 0.025 0.000 0.257 550 I C -0.173 175.870 176.117 -0.124 0.000 1.115 550 I CA 0.351 61.618 61.300 -0.055 0.000 1.451 550 I CB 0.734 38.736 38.000 0.003 0.000 1.251 550 I HN 0.079 nan 8.210 nan 0.000 0.456 551 D N -0.522 119.730 120.400 -0.248 0.000 2.871 551 D HA 0.192 4.846 4.640 0.025 0.000 0.209 551 D C 0.335 176.460 176.300 -0.292 0.000 1.292 551 D CA -0.357 53.475 54.000 -0.279 0.000 0.869 551 D CB 1.343 41.855 40.800 -0.481 0.000 1.663 551 D HN -0.138 nan 8.370 nan 0.000 0.557 552 L N 2.406 123.520 121.223 -0.182 0.000 2.083 552 L HA -0.087 4.268 4.340 0.025 0.000 0.209 552 L C 1.681 178.463 176.870 -0.146 0.000 1.083 552 L CA 1.741 56.488 54.840 -0.156 0.000 0.752 552 L CB -0.782 41.217 42.059 -0.099 0.000 0.899 552 L HN 0.627 nan 8.230 nan 0.000 0.433 553 T N 0.296 114.787 114.554 -0.104 0.000 2.708 553 T HA -0.208 4.157 4.350 0.025 0.000 0.266 553 T C 1.841 176.465 174.700 -0.127 0.000 1.037 553 T CA 1.357 63.438 62.100 -0.031 0.000 1.146 553 T CB -0.396 68.550 68.868 0.130 0.000 0.865 553 T HN 0.182 nan 8.240 nan 0.000 0.435 554 L N 1.804 122.772 121.223 -0.424 0.000 1.990 554 L HA -0.069 4.286 4.340 0.025 0.000 0.213 554 L C 2.613 179.237 176.870 -0.409 0.000 1.072 554 L CA 2.225 56.645 54.840 -0.700 0.000 0.755 554 L CB -1.164 40.048 42.059 -1.412 0.000 0.889 554 L HN 0.233 nan 8.230 nan 0.000 0.432 555 A N -1.253 121.349 122.820 -0.364 0.000 1.902 555 A HA -0.259 4.076 4.320 0.025 0.000 0.217 555 A C 2.233 179.711 177.584 -0.176 0.000 1.181 555 A CA 1.893 53.767 52.037 -0.271 0.000 0.623 555 A CB -0.651 18.208 19.000 -0.234 0.000 0.818 555 A HN 0.701 nan 8.150 nan 0.000 0.443 556 Q N -0.912 118.807 119.800 -0.135 0.000 2.119 556 Q HA -0.080 4.275 4.340 0.025 0.000 0.201 556 Q C 2.413 178.381 176.000 -0.053 0.000 0.972 556 Q CA 1.286 57.041 55.803 -0.080 0.000 0.847 556 Q CB -0.321 28.384 28.738 -0.055 0.000 0.903 556 Q HN 0.697 nan 8.270 nan 0.000 0.433 557 A N 0.053 122.847 122.820 -0.043 0.000 1.929 557 A HA -0.099 4.236 4.320 0.025 0.000 0.216 557 A C 2.262 179.845 177.584 -0.001 0.000 1.176 557 A CA 1.034 53.075 52.037 0.007 0.000 0.628 557 A CB -0.456 18.580 19.000 0.059 0.000 0.816 557 A HN 0.197 nan 8.150 nan 0.000 0.444 558 V N -0.055 119.829 119.914 -0.050 0.000 2.307 558 V HA -0.213 3.922 4.120 0.025 0.000 0.245 558 V C 3.069 179.128 176.094 -0.058 0.000 1.045 558 V CA 1.768 64.037 62.300 -0.053 0.000 1.024 558 V CB -1.309 30.429 31.823 -0.143 0.000 0.651 558 V HN 0.598 nan 8.190 nan 0.000 0.449 559 A N 0.104 122.876 122.820 -0.079 0.000 1.903 559 A HA -0.353 3.982 4.320 0.025 0.000 0.219 559 A C 2.346 179.910 177.584 -0.034 0.000 1.191 559 A CA 2.633 54.632 52.037 -0.062 0.000 0.638 559 A CB -0.614 18.347 19.000 -0.066 0.000 0.823 559 A HN 0.547 nan 8.150 nan 0.000 0.451 560 K N -0.708 119.680 120.400 -0.020 0.000 2.063 560 K HA -0.201 4.134 4.320 0.025 0.000 0.208 560 K C 1.611 178.215 176.600 0.007 0.000 1.048 560 K CA 1.627 57.912 56.287 -0.002 0.000 0.928 560 K CB -0.231 32.275 32.500 0.009 0.000 0.713 560 K HN 0.436 nan 8.250 nan 0.000 0.442 561 N N 0.738 119.446 118.700 0.013 0.000 2.289 561 N HA -0.114 4.641 4.740 0.025 0.000 0.184 561 N C 1.294 176.807 175.510 0.005 0.000 1.016 561 N CA 0.908 53.973 53.050 0.024 0.000 0.872 561 N CB 0.041 38.555 38.487 0.045 0.000 0.973 561 N HN 0.276 nan 8.380 nan 0.000 0.433 562 L N -0.820 120.393 121.223 -0.017 0.000 2.607 562 L HA 0.250 4.605 4.340 0.025 0.000 0.228 562 L C 0.946 177.802 176.870 -0.024 0.000 1.123 562 L CA -0.077 54.743 54.840 -0.033 0.000 0.890 562 L CB -0.115 41.909 42.059 -0.058 0.000 1.103 562 L HN 0.090 nan 8.230 nan 0.000 0.468 563 G N 1.490 110.283 108.800 -0.013 0.000 2.198 563 G HA2 -0.292 3.683 3.960 0.025 0.000 0.260 563 G HA3 -0.292 3.683 3.960 0.025 0.000 0.260 563 G C 0.056 174.948 174.900 -0.013 0.000 1.025 563 G CA 0.174 45.269 45.100 -0.009 0.000 0.769 563 G HN 0.340 nan 8.290 nan 0.000 0.507 564 I N -0.234 120.323 120.570 -0.021 0.000 2.493 564 I HA 0.463 4.648 4.170 0.025 0.000 0.298 564 I C 0.251 176.353 176.117 -0.025 0.000 0.998 564 I CA -0.768 60.517 61.300 -0.024 0.000 1.137 564 I CB 1.942 39.920 38.000 -0.035 0.000 1.310 564 I HN 0.178 nan 8.210 nan 0.000 0.445 565 E N 6.280 126.467 120.200 -0.022 0.000 2.158 565 E HA 0.431 4.796 4.350 0.025 0.000 0.271 565 E C -1.092 175.490 176.600 -0.029 0.000 0.911 565 E CA -0.713 55.673 56.400 -0.023 0.000 0.767 565 E CB 1.281 30.972 29.700 -0.016 0.000 1.120 565 E HN 0.471 nan 8.360 nan 0.000 0.405 566 L N 3.530 124.730 121.223 -0.038 0.000 2.456 566 L HA 0.124 4.479 4.340 0.025 0.000 0.272 566 L C 0.992 177.839 176.870 -0.038 0.000 1.189 566 L CA -0.174 54.638 54.840 -0.046 0.000 0.846 566 L CB 0.374 42.396 42.059 -0.062 0.000 1.111 566 L HN 0.674 nan 8.230 nan 0.000 0.475 567 T N -2.386 112.145 114.554 -0.038 0.000 2.868 567 T HA 0.051 4.416 4.350 0.025 0.000 0.292 567 T C 0.809 175.486 174.700 -0.039 0.000 1.028 567 T CA -0.843 61.238 62.100 -0.032 0.000 1.059 567 T CB 1.112 69.963 68.868 -0.027 0.000 0.991 567 T HN 0.501 nan 8.240 nan 0.000 0.531 568 D N 1.015 121.396 120.400 -0.032 0.000 2.158 568 D HA -0.111 4.544 4.640 0.025 0.000 0.197 568 D C 1.570 177.843 176.300 -0.044 0.000 0.995 568 D CA 1.345 55.325 54.000 -0.034 0.000 0.846 568 D CB -0.282 40.503 40.800 -0.026 0.000 0.941 568 D HN 0.644 nan 8.370 nan 0.000 0.456 569 D N 0.519 120.893 120.400 -0.043 0.000 2.104 569 D HA -0.141 4.514 4.640 0.025 0.000 0.194 569 D C 2.170 178.419 176.300 -0.085 0.000 0.994 569 D CA 0.910 54.879 54.000 -0.053 0.000 0.830 569 D CB -0.282 40.495 40.800 -0.038 0.000 0.959 569 D HN 0.309 nan 8.370 nan 0.000 0.452 570 Q N -0.275 119.472 119.800 -0.088 0.000 2.084 570 Q HA -0.056 4.299 4.340 0.025 0.000 0.202 570 Q C 2.321 178.239 176.000 -0.136 0.000 0.978 570 Q CA 0.660 56.385 55.803 -0.130 0.000 0.844 570 Q CB -0.109 28.567 28.738 -0.103 0.000 0.898 570 Q HN 0.324 nan 8.270 nan 0.000 0.426 571 L N 0.715 121.880 121.223 -0.096 0.000 2.353 571 L HA -0.131 4.224 4.340 0.025 0.000 0.220 571 L C 1.114 177.932 176.870 -0.086 0.000 1.133 571 L CA 0.479 55.268 54.840 -0.086 0.000 0.798 571 L CB -0.117 41.906 42.059 -0.060 0.000 0.922 571 L HN 0.258 nan 8.230 nan 0.000 0.445 572 N N -0.328 118.318 118.700 -0.091 0.000 2.204 572 N HA 0.249 5.004 4.740 0.025 0.000 0.219 572 N C 0.280 175.728 175.510 -0.104 0.000 1.151 572 N CA -0.018 52.984 53.050 -0.080 0.000 0.867 572 N CB 0.873 39.325 38.487 -0.058 0.000 1.043 572 N HN 0.210 nan 8.380 nan 0.000 0.516 573 I N 1.711 122.183 120.570 -0.162 0.000 2.598 573 I HA -0.077 4.108 4.170 0.025 0.000 0.284 573 I C 1.260 177.282 176.117 -0.157 0.000 1.140 573 I CA 0.327 61.497 61.300 -0.216 0.000 1.420 573 I CB 0.519 38.253 38.000 -0.443 0.000 1.387 573 I HN -0.056 nan 8.210 nan 0.000 0.553 574 T N 7.679 122.172 114.554 -0.102 0.000 2.884 574 T HA 0.311 4.676 4.350 0.025 0.000 0.298 574 T C -1.949 172.716 174.700 -0.057 0.000 0.998 574 T CA -1.417 60.646 62.100 -0.061 0.000 1.124 574 T CB 0.833 69.685 68.868 -0.027 0.000 0.931 574 T HN 0.390 nan 8.240 nan 0.000 0.531 575 P HA 0.309 nan 4.420 nan 0.000 0.272 575 P C -2.504 174.813 177.300 0.028 0.000 1.230 575 P CA -1.367 61.720 63.100 -0.022 0.000 0.788 575 P CB -0.404 31.292 31.700 -0.007 0.000 0.949 576 P HA 0.280 nan 4.420 nan 0.000 0.274 576 P C -2.531 174.825 177.300 0.094 0.000 1.246 576 P CA -1.521 61.650 63.100 0.117 0.000 0.795 576 P CB -1.088 30.730 31.700 0.196 0.000 1.006 577 P HA 0.101 nan 4.420 nan 0.000 0.269 577 P C -0.247 177.103 177.300 0.084 0.000 1.215 577 P CA 0.176 63.324 63.100 0.080 0.000 0.780 577 P CB 0.085 31.835 31.700 0.082 0.000 0.898 578 D N 0.046 120.487 120.400 0.069 0.000 2.370 578 D HA 0.002 4.657 4.640 0.025 0.000 0.235 578 D C -0.084 176.264 176.300 0.081 0.000 1.228 578 D CA 0.310 54.348 54.000 0.063 0.000 0.884 578 D CB 0.193 41.025 40.800 0.053 0.000 1.201 578 D HN -0.039 nan 8.370 nan 0.000 0.456 579 V N 2.587 122.541 119.914 0.066 0.000 2.334 579 V HA 0.066 4.201 4.120 0.025 0.000 0.267 579 V C 0.185 176.372 176.094 0.155 0.000 1.040 579 V CA -0.505 61.864 62.300 0.116 0.000 0.866 579 V CB -0.064 31.743 31.823 -0.027 0.000 1.019 579 V HN 0.596 nan 8.190 nan 0.000 0.468 580 N N 4.518 123.326 118.700 0.179 0.000 2.707 580 N HA -0.230 4.525 4.740 0.025 0.000 0.253 580 N C 1.168 176.736 175.510 0.096 0.000 0.998 580 N CA 1.096 54.230 53.050 0.140 0.000 0.751 580 N CB -0.869 37.736 38.487 0.197 0.000 0.920 580 N HN 1.294 nan 8.380 nan 0.000 0.539 581 G N -2.622 106.223 108.800 0.075 0.000 2.184 581 G HA2 -0.320 3.655 3.960 0.025 0.000 0.264 581 G HA3 -0.320 3.655 3.960 0.025 0.000 0.264 581 G C -0.056 174.873 174.900 0.049 0.000 0.975 581 G CA 0.182 45.314 45.100 0.053 0.000 0.642 581 G HN 0.350 nan 8.290 nan 0.000 0.536 582 L N 0.266 121.523 121.223 0.056 0.000 2.331 582 L HA 0.527 4.881 4.340 0.025 0.000 0.278 582 L C 1.320 178.206 176.870 0.027 0.000 1.106 582 L CA 0.347 55.211 54.840 0.041 0.000 0.824 582 L CB 1.372 43.457 42.059 0.044 0.000 1.142 582 L HN 0.205 nan 8.230 nan 0.000 0.443 583 K N 2.863 123.273 120.400 0.017 0.000 2.358 583 K HA 0.151 4.486 4.320 0.025 0.000 0.197 583 K C -0.381 176.214 176.600 -0.009 0.000 1.025 583 K CA 0.136 56.430 56.287 0.011 0.000 1.104 583 K CB 0.413 32.920 32.500 0.011 0.000 0.855 583 K HN 0.616 nan 8.250 nan 0.000 0.531 584 K N -0.651 119.739 120.400 -0.016 0.000 2.685 584 K HA 0.255 4.590 4.320 0.025 0.000 0.290 584 K C -2.076 174.509 176.600 -0.025 0.000 1.018 584 K CA -1.035 55.226 56.287 -0.042 0.000 0.860 584 K CB 1.310 33.764 32.500 -0.076 0.000 1.498 584 K HN -0.255 nan 8.250 nan 0.000 0.390 585 D N 1.255 121.635 120.400 -0.033 0.000 2.479 585 D HA 0.318 4.973 4.640 0.025 0.000 0.246 585 D C -2.221 174.066 176.300 -0.022 0.000 1.336 585 D CA -2.036 51.964 54.000 -0.001 0.000 0.967 585 D CB 2.188 43.010 40.800 0.037 0.000 1.275 585 D HN 0.239 nan 8.370 nan 0.000 0.577 586 P HA -0.071 nan 4.420 nan 0.000 0.228 586 P C 1.260 178.552 177.300 -0.012 0.000 1.151 586 P CA 0.727 63.799 63.100 -0.047 0.000 0.770 586 P CB 0.223 31.906 31.700 -0.028 0.000 0.786 587 S N -1.175 114.551 115.700 0.044 0.000 2.507 587 S HA -0.043 4.441 4.470 0.025 0.000 0.235 587 S C 1.658 176.344 174.600 0.143 0.000 0.988 587 S CA 0.691 58.955 58.200 0.106 0.000 0.944 587 S CB -1.352 61.937 63.200 0.149 0.000 0.762 587 S HN 0.142 nan 8.310 nan 0.000 0.526 588 L N 1.198 122.467 121.223 0.076 0.000 2.395 588 L HA 0.179 4.534 4.340 0.025 0.000 0.218 588 L C 1.519 178.284 176.870 -0.175 0.000 1.130 588 L CA 0.217 55.090 54.840 0.054 0.000 0.826 588 L CB -0.342 41.744 42.059 0.045 0.000 0.941 588 L HN 0.311 nan 8.230 nan 0.000 0.451 589 S N -0.333 115.249 115.700 -0.195 0.000 2.562 589 S HA 0.282 4.767 4.470 0.025 0.000 0.275 589 S C 1.083 175.558 174.600 -0.208 0.000 1.281 589 S CA -0.624 57.402 58.200 -0.290 0.000 1.045 589 S CB 1.194 64.229 63.200 -0.276 0.000 0.962 589 S HN 0.168 nan 8.310 nan 0.000 0.503 590 L N 3.509 124.520 121.223 -0.353 0.000 2.217 590 L HA 0.012 4.367 4.340 0.025 0.000 0.211 590 L C 0.735 177.327 176.870 -0.462 0.000 1.107 590 L CA 1.077 55.610 54.840 -0.511 0.000 0.783 590 L CB -0.276 41.178 42.059 -1.008 0.000 0.919 590 L HN 0.752 nan 8.230 nan 0.000 0.442 591 Y N -2.448 117.848 120.300 -0.007 0.000 2.448 591 Y HA 0.339 4.904 4.550 0.025 0.000 0.257 591 Y C 2.114 178.036 175.900 0.037 0.000 1.089 591 Y CA -0.251 57.895 58.100 0.077 0.000 1.245 591 Y CB -0.402 38.134 38.460 0.126 0.000 1.282 591 Y HN -0.068 nan 8.280 nan 0.000 0.529 592 A N 0.557 123.405 122.820 0.047 0.000 1.972 592 A HA -0.026 4.309 4.320 0.025 0.000 0.219 592 A C 0.883 178.500 177.584 0.055 0.000 1.169 592 A CA 1.137 53.175 52.037 0.001 0.000 0.635 592 A CB -0.647 18.295 19.000 -0.096 0.000 0.810 592 A HN 0.284 nan 8.150 nan 0.000 0.446 593 I N 1.761 122.373 120.570 0.069 0.000 2.354 593 I HA 0.238 4.423 4.170 0.025 0.000 0.286 593 I C -2.298 173.891 176.117 0.119 0.000 1.007 593 I CA -2.316 59.033 61.300 0.080 0.000 1.167 593 I CB 1.670 39.706 38.000 0.060 0.000 1.320 593 I HN 0.091 nan 8.210 nan 0.000 0.458 594 P HA 0.042 nan 4.420 nan 0.000 0.264 594 P C -0.638 176.740 177.300 0.130 0.000 1.193 594 P CA 0.186 63.382 63.100 0.159 0.000 0.763 594 P CB 0.687 32.468 31.700 0.136 0.000 0.810 595 D N 1.032 121.519 120.400 0.146 0.000 2.865 595 D HA 0.155 4.810 4.640 0.025 0.000 0.347 595 D C 0.516 176.880 176.300 0.107 0.000 1.498 595 D CA -0.514 53.553 54.000 0.112 0.000 0.787 595 D CB -0.430 40.432 40.800 0.104 0.000 1.190 595 D HN 0.327 nan 8.370 nan 0.000 0.445 596 G N 0.063 108.934 108.800 0.118 0.000 2.491 596 G HA2 0.380 4.355 3.960 0.025 0.000 0.242 596 G HA3 0.380 4.355 3.960 0.025 0.000 0.242 596 G C -0.684 174.256 174.900 0.066 0.000 1.266 596 G CA -0.118 45.045 45.100 0.105 0.000 0.844 596 G HN 0.199 nan 8.290 nan 0.000 0.571 597 D N 0.438 120.868 120.400 0.051 0.000 2.855 597 D HA 0.180 4.835 4.640 0.025 0.000 0.241 597 D C 0.930 177.242 176.300 0.020 0.000 1.277 597 D CA -0.567 53.449 54.000 0.027 0.000 0.918 597 D CB 1.859 42.668 40.800 0.016 0.000 1.462 597 D HN 0.318 nan 8.370 nan 0.000 0.559 598 V N 1.822 121.741 119.914 0.008 0.000 3.406 598 V HA 0.228 4.363 4.120 0.025 0.000 0.263 598 V C 1.063 177.139 176.094 -0.029 0.000 1.172 598 V CA 0.217 62.517 62.300 -0.001 0.000 1.140 598 V CB -0.714 31.104 31.823 -0.009 0.000 0.784 598 V HN 0.428 nan 8.190 nan 0.000 0.467 599 K N 1.274 121.649 120.400 -0.042 0.000 2.451 599 K HA 0.377 4.712 4.320 0.025 0.000 0.280 599 K C 1.257 177.816 176.600 -0.068 0.000 1.020 599 K CA 1.081 57.321 56.287 -0.079 0.000 1.008 599 K CB 0.143 32.602 32.500 -0.068 0.000 0.917 599 K HN 0.689 nan 8.250 nan 0.000 0.478 600 G N 3.155 111.883 108.800 -0.120 0.000 2.217 600 G HA2 -0.218 3.757 3.960 0.025 0.000 0.246 600 G HA3 -0.218 3.757 3.960 0.025 0.000 0.246 600 G C 0.091 175.045 174.900 0.090 0.000 0.990 600 G CA -0.197 44.912 45.100 0.016 0.000 0.627 600 G HN 0.569 nan 8.290 nan 0.000 0.522 601 R N -0.099 120.419 120.500 0.029 0.000 2.738 601 R HA 0.675 5.029 4.340 0.025 0.000 0.275 601 R C 0.126 176.487 176.300 0.102 0.000 1.121 601 R CA 0.021 56.169 56.100 0.079 0.000 1.207 601 R CB 0.812 31.149 30.300 0.061 0.000 1.141 601 R HN 0.689 nan 8.270 nan 0.000 0.571 602 V N 0.162 120.153 119.914 0.128 0.000 2.925 602 V HA 0.494 4.629 4.120 0.025 0.000 0.311 602 V C -1.212 174.950 176.094 0.113 0.000 1.104 602 V CA -0.740 61.649 62.300 0.149 0.000 0.954 602 V CB 2.598 34.534 31.823 0.189 0.000 1.022 602 V HN 0.351 nan 8.190 nan 0.000 0.427 603 V N 5.207 125.182 119.914 0.102 0.000 2.588 603 V HA 0.801 4.936 4.120 0.025 0.000 0.304 603 V C 0.378 176.528 176.094 0.093 0.000 1.042 603 V CA -0.227 62.122 62.300 0.082 0.000 0.877 603 V CB 1.688 33.545 31.823 0.056 0.000 0.996 603 V HN 1.201 nan 8.190 nan 0.000 0.425 604 A N 5.976 128.859 122.820 0.105 0.000 2.363 604 A HA 0.787 5.122 4.320 0.025 0.000 0.270 604 A C -0.448 177.148 177.584 0.020 0.000 1.121 604 A CA -0.197 51.887 52.037 0.079 0.000 0.800 604 A CB 0.132 19.209 19.000 0.129 0.000 1.052 604 A HN 0.768 nan 8.150 nan 0.000 0.493 605 I N 3.230 123.804 120.570 0.006 0.000 2.382 605 I HA 0.206 4.391 4.170 0.025 0.000 0.286 605 I C -0.637 175.483 176.117 0.004 0.000 1.002 605 I CA -0.213 61.091 61.300 0.008 0.000 1.135 605 I CB 1.457 39.475 38.000 0.029 0.000 1.288 605 I HN 0.481 nan 8.210 nan 0.000 0.448 606 L N 7.261 128.475 121.223 -0.015 0.000 2.295 606 L HA 0.399 4.754 4.340 0.025 0.000 0.288 606 L C 0.111 177.074 176.870 0.155 0.000 1.079 606 L CA -0.385 54.500 54.840 0.074 0.000 0.830 606 L CB 0.259 42.215 42.059 -0.171 0.000 1.200 606 L HN 0.447 nan 8.230 nan 0.000 0.438 607 L N 3.588 124.946 121.223 0.225 0.000 2.472 607 L HA 0.195 4.550 4.340 0.025 0.000 0.260 607 L C 0.230 177.272 176.870 0.286 0.000 1.209 607 L CA -0.212 54.717 54.840 0.147 0.000 0.817 607 L CB 0.642 42.689 42.059 -0.021 0.000 1.106 607 L HN 0.701 nan 8.230 nan 0.000 0.479 608 N N -1.951 116.825 118.700 0.127 0.000 2.629 608 N HA 0.222 4.977 4.740 0.025 0.000 0.279 608 N C -0.257 175.229 175.510 -0.040 0.000 1.344 608 N CA -0.772 52.399 53.050 0.201 0.000 0.789 608 N CB 0.671 39.267 38.487 0.182 0.000 1.508 608 N HN 0.538 nan 8.380 nan 0.000 0.516 609 D N -1.651 118.766 120.400 0.028 0.000 2.378 609 D HA -0.091 4.563 4.640 0.025 0.000 0.227 609 D C -0.423 175.843 176.300 -0.057 0.000 1.012 609 D CA 0.831 54.783 54.000 -0.079 0.000 0.905 609 D CB -0.060 40.769 40.800 0.049 0.000 0.895 609 D HN 0.745 nan 8.370 nan 0.000 0.532 610 E N 0.476 120.660 120.200 -0.026 0.000 3.284 610 E HA 0.220 4.585 4.350 0.025 0.000 0.277 610 E C -1.251 175.338 176.600 -0.019 0.000 1.218 610 E CA -0.363 56.022 56.400 -0.025 0.000 0.925 610 E CB 1.109 30.803 29.700 -0.010 0.000 1.409 610 E HN -0.125 nan 8.360 nan 0.000 0.388 611 V N 2.136 122.030 119.914 -0.033 0.000 2.715 611 V HA 0.133 4.268 4.120 0.025 0.000 0.299 611 V C 0.879 176.957 176.094 -0.025 0.000 1.054 611 V CA -0.013 62.273 62.300 -0.023 0.000 1.077 611 V CB 1.123 32.925 31.823 -0.034 0.000 0.972 611 V HN 0.483 nan 8.190 nan 0.000 0.484 612 R N 2.839 123.325 120.500 -0.024 0.000 2.345 612 R HA 0.054 4.409 4.340 0.025 0.000 0.331 612 R C 1.490 177.768 176.300 -0.036 0.000 1.067 612 R CA 0.473 56.553 56.100 -0.032 0.000 0.962 612 R CB 0.446 30.723 30.300 -0.039 0.000 0.987 612 R HN 0.999 nan 8.270 nan 0.000 0.451 613 S N 3.307 118.987 115.700 -0.033 0.000 2.419 613 S HA -0.179 4.306 4.470 0.025 0.000 0.233 613 S C 1.918 176.499 174.600 -0.032 0.000 1.016 613 S CA 0.845 59.026 58.200 -0.031 0.000 0.974 613 S CB -0.009 63.174 63.200 -0.027 0.000 0.786 613 S HN 0.676 nan 8.310 nan 0.000 0.492 614 A N 2.147 124.945 122.820 -0.037 0.000 1.969 614 A HA -0.071 4.264 4.320 0.025 0.000 0.218 614 A C 1.946 179.497 177.584 -0.055 0.000 1.169 614 A CA 1.511 53.524 52.037 -0.041 0.000 0.635 614 A CB -0.767 18.208 19.000 -0.041 0.000 0.810 614 A HN 0.443 nan 8.150 nan 0.000 0.445 615 D N -0.133 120.223 120.400 -0.072 0.000 2.104 615 D HA -0.132 4.523 4.640 0.025 0.000 0.194 615 D C 1.882 178.144 176.300 -0.063 0.000 0.994 615 D CA 0.902 54.840 54.000 -0.105 0.000 0.830 615 D CB -0.298 40.428 40.800 -0.123 0.000 0.959 615 D HN 0.350 nan 8.370 nan 0.000 0.452 616 L N 0.355 121.555 121.223 -0.039 0.000 2.109 616 L HA -0.077 4.278 4.340 0.025 0.000 0.207 616 L C 2.350 179.214 176.870 -0.010 0.000 1.086 616 L CA 0.580 55.410 54.840 -0.017 0.000 0.760 616 L CB -0.165 41.884 42.059 -0.016 0.000 0.910 616 L HN 0.094 nan 8.230 nan 0.000 0.437 617 L N -0.496 120.718 121.223 -0.016 0.000 2.046 617 L HA -0.210 4.145 4.340 0.025 0.000 0.208 617 L C 2.782 179.650 176.870 -0.003 0.000 1.077 617 L CA 1.314 56.148 54.840 -0.009 0.000 0.747 617 L CB -0.605 41.446 42.059 -0.013 0.000 0.896 617 L HN 0.273 nan 8.230 nan 0.000 0.432 618 A N -0.003 122.811 122.820 -0.010 0.000 1.930 618 A HA -0.131 4.204 4.320 0.025 0.000 0.217 618 A C 2.163 179.764 177.584 0.028 0.000 1.175 618 A CA 1.241 53.279 52.037 0.001 0.000 0.627 618 A CB -0.514 18.475 19.000 -0.018 0.000 0.815 618 A HN 0.328 nan 8.150 nan 0.000 0.443 619 I N -0.308 120.281 120.570 0.031 0.000 2.163 619 I HA -0.248 3.937 4.170 0.025 0.000 0.240 619 I C 2.376 178.522 176.117 0.048 0.000 1.081 619 I CA 1.207 62.548 61.300 0.068 0.000 1.353 619 I CB -0.366 37.679 38.000 0.075 0.000 1.054 619 I HN 0.261 nan 8.210 nan 0.000 0.407 620 L N 0.356 121.598 121.223 0.031 0.000 2.083 620 L HA -0.217 4.138 4.340 0.025 0.000 0.209 620 L C 2.572 179.455 176.870 0.021 0.000 1.083 620 L CA 1.424 56.280 54.840 0.026 0.000 0.752 620 L CB -0.534 41.537 42.059 0.021 0.000 0.899 620 L HN 0.210 nan 8.230 nan 0.000 0.433 621 K N 0.063 120.474 120.400 0.017 0.000 2.155 621 K HA -0.086 4.249 4.320 0.025 0.000 0.203 621 K C 2.164 178.771 176.600 0.013 0.000 1.052 621 K CA 0.958 57.253 56.287 0.012 0.000 0.948 621 K CB 0.015 32.521 32.500 0.009 0.000 0.728 621 K HN 0.258 nan 8.250 nan 0.000 0.448 622 A N 1.098 123.931 122.820 0.022 0.000 1.930 622 A HA -0.107 4.228 4.320 0.025 0.000 0.217 622 A C 2.006 179.595 177.584 0.009 0.000 1.175 622 A CA 1.071 53.121 52.037 0.022 0.000 0.627 622 A CB -0.484 18.541 19.000 0.042 0.000 0.815 622 A HN 0.247 nan 8.150 nan 0.000 0.443 623 L N -0.674 120.555 121.223 0.011 0.000 2.027 623 L HA -0.163 4.192 4.340 0.025 0.000 0.206 623 L C 2.687 179.538 176.870 -0.031 0.000 1.074 623 L CA 1.596 56.431 54.840 -0.009 0.000 0.745 623 L CB -0.465 41.597 42.059 0.005 0.000 0.898 623 L HN 0.342 nan 8.230 nan 0.000 0.433 624 K N 0.860 121.251 120.400 -0.016 0.000 2.097 624 K HA -0.166 4.168 4.320 0.025 0.000 0.206 624 K C 1.970 178.551 176.600 -0.031 0.000 1.049 624 K CA 1.554 57.828 56.287 -0.023 0.000 0.933 624 K CB -0.063 32.437 32.500 -0.000 0.000 0.717 624 K HN 0.275 nan 8.250 nan 0.000 0.442 625 A N 0.926 123.735 122.820 -0.019 0.000 2.067 625 A HA -0.074 4.260 4.320 0.025 0.000 0.219 625 A C 1.614 179.182 177.584 -0.027 0.000 1.158 625 A CA 1.197 53.224 52.037 -0.017 0.000 0.661 625 A CB -0.039 18.957 19.000 -0.007 0.000 0.801 625 A HN 0.128 nan 8.150 nan 0.000 0.452 626 K N -1.425 118.952 120.400 -0.039 0.000 2.358 626 K HA 0.228 4.563 4.320 0.025 0.000 0.200 626 K C 0.968 177.518 176.600 -0.083 0.000 1.030 626 K CA 0.546 56.804 56.287 -0.048 0.000 1.097 626 K CB -0.022 32.456 32.500 -0.038 0.000 0.862 626 K HN 0.702 nan 8.250 nan 0.000 0.534 627 G N 1.435 110.166 108.800 -0.115 0.000 2.176 627 G HA2 -0.233 3.742 3.960 0.025 0.000 0.252 627 G HA3 -0.233 3.742 3.960 0.025 0.000 0.252 627 G C 0.040 174.729 174.900 -0.351 0.000 1.024 627 G CA 0.273 45.254 45.100 -0.198 0.000 0.755 627 G HN 0.100 nan 8.290 nan 0.000 0.507 628 V N 0.911 120.669 119.914 -0.260 0.000 2.465 628 V HA 0.461 4.596 4.120 0.025 0.000 0.279 628 V C 0.857 176.786 176.094 -0.275 0.000 1.045 628 V CA -0.707 61.442 62.300 -0.252 0.000 0.938 628 V CB 0.913 32.680 31.823 -0.093 0.000 0.986 628 V HN 0.452 nan 8.190 nan 0.000 0.467 629 H N 1.878 120.960 119.070 0.020 0.000 2.508 629 H HA 0.743 5.314 4.556 0.025 0.000 0.358 629 H C 0.259 175.607 175.328 0.033 0.000 1.212 629 H CA 0.182 56.244 56.048 0.024 0.000 1.356 629 H CB 1.094 30.871 29.762 0.025 0.000 1.525 629 H HN 0.858 nan 8.280 nan 0.000 0.578 630 A N 1.050 123.973 122.820 0.173 0.000 2.454 630 A HA 0.576 4.911 4.320 0.025 0.000 0.302 630 A C -1.111 176.529 177.584 0.094 0.000 1.079 630 A CA -1.038 51.064 52.037 0.109 0.000 0.731 630 A CB 1.219 20.264 19.000 0.075 0.000 1.299 630 A HN 0.798 nan 8.150 nan 0.000 0.413 631 K N 1.946 122.394 120.400 0.079 0.000 2.507 631 K HA 0.671 5.006 4.320 0.025 0.000 0.252 631 K C -1.614 175.011 176.600 0.041 0.000 0.943 631 K CA -0.502 55.821 56.287 0.061 0.000 0.808 631 K CB 1.440 33.985 32.500 0.075 0.000 1.142 631 K HN 0.504 nan 8.250 nan 0.000 0.426 632 L N 5.093 126.331 121.223 0.025 0.000 2.281 632 L HA 0.382 4.737 4.340 0.025 0.000 0.285 632 L C -0.415 176.454 176.870 -0.002 0.000 1.074 632 L CA -0.733 54.113 54.840 0.011 0.000 0.817 632 L CB 0.272 42.329 42.059 -0.003 0.000 1.168 632 L HN 0.532 nan 8.230 nan 0.000 0.434 633 L N 3.644 124.868 121.223 0.002 0.000 2.333 633 L HA 0.615 4.970 4.340 0.025 0.000 0.269 633 L C -0.856 175.941 176.870 -0.123 0.000 1.010 633 L CA -0.773 54.026 54.840 -0.068 0.000 0.818 633 L CB 2.056 44.093 42.059 -0.035 0.000 1.306 633 L HN 0.411 nan 8.230 nan 0.000 0.430 634 Y N -0.526 119.337 120.300 -0.729 0.000 2.900 634 Y HA 0.177 4.742 4.550 0.025 0.000 0.318 634 Y C 0.706 175.807 175.900 -1.332 0.000 1.457 634 Y CA -0.668 56.867 58.100 -0.941 0.000 1.082 634 Y CB 1.502 39.756 38.460 -0.343 0.000 1.419 634 Y HN 0.538 nan 8.280 nan 0.000 0.459 635 S N 0.614 115.415 115.700 -1.499 0.000 2.575 635 S HA 0.303 4.788 4.470 0.025 0.000 0.215 635 S C -0.037 174.288 174.600 -0.459 0.000 0.966 635 S CA 0.292 57.983 58.200 -0.849 0.000 0.911 635 S CB -0.163 62.682 63.200 -0.592 0.000 0.780 635 S HN 0.614 nan 8.310 nan 0.000 0.514 636 R N -1.206 119.094 120.500 -0.332 0.000 2.747 636 R HA 0.618 4.973 4.340 0.025 0.000 0.272 636 R C -0.848 175.441 176.300 -0.019 0.000 1.032 636 R CA -1.111 54.924 56.100 -0.110 0.000 0.896 636 R CB 0.442 30.720 30.300 -0.036 0.000 1.253 636 R HN -0.059 nan 8.270 nan 0.000 0.461 637 M N 0.172 119.767 119.600 -0.010 0.000 2.219 637 M HA 0.520 5.015 4.480 0.025 0.000 0.280 637 M C 0.986 177.300 176.300 0.024 0.000 1.189 637 M CA 0.901 56.203 55.300 0.003 0.000 1.010 637 M CB 0.565 33.160 32.600 -0.008 0.000 1.422 637 M HN 1.058 nan 8.290 nan 0.000 0.504 638 G N 0.998 109.803 108.800 0.009 0.000 2.826 638 G HA2 -0.125 3.850 3.960 0.025 0.000 0.233 638 G HA3 -0.125 3.850 3.960 0.025 0.000 0.233 638 G C -0.866 174.026 174.900 -0.013 0.000 1.296 638 G CA -0.445 44.656 45.100 0.002 0.000 1.001 638 G HN 0.639 nan 8.290 nan 0.000 0.576 639 E N -0.939 119.247 120.200 -0.024 0.000 2.393 639 E HA 0.622 4.987 4.350 0.025 0.000 0.273 639 E C -0.561 175.975 176.600 -0.106 0.000 0.918 639 E CA -0.561 55.803 56.400 -0.061 0.000 0.773 639 E CB 2.988 32.661 29.700 -0.045 0.000 1.275 639 E HN 1.260 nan 8.360 nan 0.000 0.451 640 V N -1.998 117.816 119.914 -0.166 0.000 3.040 640 V HA 0.715 4.850 4.120 0.025 0.000 0.312 640 V C -0.541 175.473 176.094 -0.132 0.000 1.115 640 V CA -0.752 61.425 62.300 -0.206 0.000 0.998 640 V CB 1.930 33.509 31.823 -0.407 0.000 1.042 640 V HN 0.649 nan 8.190 nan 0.000 0.433 641 T N 2.497 116.988 114.554 -0.106 0.000 2.771 641 T HA 0.778 5.143 4.350 0.025 0.000 0.281 641 T C 0.310 174.969 174.700 -0.067 0.000 0.982 641 T CA 0.236 62.294 62.100 -0.071 0.000 0.978 641 T CB 1.342 70.181 68.868 -0.048 0.000 0.930 641 T HN 1.351 nan 8.240 nan 0.000 0.447 642 A N 2.479 125.265 122.820 -0.056 0.000 2.327 642 A HA 0.368 4.703 4.320 0.025 0.000 0.255 642 A C 1.645 179.208 177.584 -0.035 0.000 1.099 642 A CA -0.366 51.643 52.037 -0.047 0.000 0.801 642 A CB 0.049 19.025 19.000 -0.041 0.000 1.062 642 A HN 0.933 nan 8.150 nan 0.000 0.496 643 D N 0.452 120.834 120.400 -0.029 0.000 2.170 643 D HA -0.266 4.389 4.640 0.025 0.000 0.193 643 D C 0.762 177.049 176.300 -0.021 0.000 1.004 643 D CA 2.005 55.992 54.000 -0.023 0.000 0.860 643 D CB -0.379 40.408 40.800 -0.021 0.000 0.931 643 D HN 0.646 nan 8.370 nan 0.000 0.448 644 D N -1.487 118.899 120.400 -0.022 0.000 2.328 644 D HA 0.171 4.826 4.640 0.025 0.000 0.221 644 D C 1.659 177.948 176.300 -0.019 0.000 1.072 644 D CA 0.674 54.662 54.000 -0.019 0.000 0.850 644 D CB -0.038 40.751 40.800 -0.019 0.000 0.922 644 D HN 0.469 nan 8.370 nan 0.000 0.516 645 G N -0.035 108.752 108.800 -0.022 0.000 2.175 645 G HA2 -0.256 3.719 3.960 0.025 0.000 0.244 645 G HA3 -0.256 3.719 3.960 0.025 0.000 0.244 645 G C 0.390 175.276 174.900 -0.024 0.000 0.982 645 G CA 0.247 45.334 45.100 -0.022 0.000 0.641 645 G HN 0.441 nan 8.290 nan 0.000 0.527 646 T N 1.325 115.864 114.554 -0.026 0.000 2.888 646 T HA 0.425 4.790 4.350 0.025 0.000 0.301 646 T C 0.665 175.345 174.700 -0.034 0.000 1.001 646 T CA 0.035 62.119 62.100 -0.026 0.000 1.147 646 T CB 2.254 71.107 68.868 -0.025 0.000 0.931 646 T HN 0.473 nan 8.240 nan 0.000 0.541 647 V N 5.069 124.964 119.914 -0.031 0.000 2.432 647 V HA 0.211 4.346 4.120 0.025 0.000 0.271 647 V C -0.168 175.901 176.094 -0.041 0.000 1.046 647 V CA -0.693 61.585 62.300 -0.038 0.000 0.945 647 V CB 0.792 32.597 31.823 -0.029 0.000 0.992 647 V HN 0.555 nan 8.190 nan 0.000 0.471 648 L N 9.044 130.232 121.223 -0.058 0.000 2.294 648 L HA 0.517 4.872 4.340 0.025 0.000 0.283 648 L C -2.077 174.756 176.870 -0.062 0.000 1.015 648 L CA -2.405 52.399 54.840 -0.060 0.000 0.831 648 L CB 1.481 43.491 42.059 -0.081 0.000 1.217 648 L HN 0.436 nan 8.230 nan 0.000 0.420 649 P HA 0.276 nan 4.420 nan 0.000 0.279 649 P C -0.488 176.793 177.300 -0.032 0.000 1.239 649 P CA -0.245 62.836 63.100 -0.032 0.000 0.789 649 P CB 1.225 32.914 31.700 -0.017 0.000 0.933 650 I N 2.326 122.878 120.570 -0.030 0.000 2.336 650 I HA 0.255 4.440 4.170 0.025 0.000 0.292 650 I C 1.547 177.655 176.117 -0.015 0.000 0.991 650 I CA -0.536 60.749 61.300 -0.025 0.000 1.227 650 I CB 1.600 39.592 38.000 -0.015 0.000 1.366 650 I HN 0.355 nan 8.210 nan 0.000 0.466 651 A N 5.229 128.043 122.820 -0.010 0.000 1.930 651 A HA 0.549 4.884 4.320 0.025 0.000 0.215 651 A C 0.988 178.570 177.584 -0.002 0.000 1.176 651 A CA 1.293 53.330 52.037 0.000 0.000 0.632 651 A CB 0.013 19.021 19.000 0.014 0.000 0.819 651 A HN 0.829 nan 8.150 nan 0.000 0.445 652 A N -2.194 120.616 122.820 -0.017 0.000 2.586 652 A HA 0.553 4.888 4.320 0.025 0.000 0.291 652 A C -0.042 177.493 177.584 -0.083 0.000 1.062 652 A CA 0.058 52.082 52.037 -0.022 0.000 0.666 652 A CB -0.336 18.676 19.000 0.021 0.000 1.281 652 A HN 0.826 nan 8.150 nan 0.000 0.421 653 T N -1.379 113.119 114.554 -0.093 0.000 2.849 653 T HA 0.537 4.902 4.350 0.025 0.000 0.284 653 T C 1.011 175.650 174.700 -0.102 0.000 1.004 653 T CA 0.198 62.173 62.100 -0.209 0.000 1.021 653 T CB 0.003 68.788 68.868 -0.138 0.000 1.013 653 T HN 0.506 nan 8.240 nan 0.000 0.527 654 F N 0.670 120.632 119.950 0.021 0.000 2.120 654 F HA -0.052 4.490 4.527 0.025 0.000 0.300 654 F C 2.934 178.861 175.800 0.211 0.000 1.095 654 F CA 1.124 59.181 58.000 0.095 0.000 1.249 654 F CB -0.667 38.371 39.000 0.064 0.000 0.995 654 F HN 0.705 nan 8.300 nan 0.000 0.480 655 A N 0.139 123.128 122.820 0.281 0.000 2.016 655 A HA 0.100 4.435 4.320 0.025 0.000 0.217 655 A C 2.397 180.054 177.584 0.121 0.000 1.162 655 A CA 1.239 53.384 52.037 0.181 0.000 0.662 655 A CB -1.307 17.758 19.000 0.109 0.000 0.812 655 A HN 0.388 nan 8.150 nan 0.000 0.450 656 G N -0.782 108.077 108.800 0.098 0.000 2.421 656 G HA2 0.280 4.255 3.960 0.025 0.000 0.217 656 G HA3 0.280 4.255 3.960 0.025 0.000 0.217 656 G C 0.667 175.619 174.900 0.087 0.000 1.143 656 G CA 0.956 46.094 45.100 0.064 0.000 0.784 656 G HN 1.051 nan 8.290 nan 0.000 0.541 657 A N 0.714 123.622 122.820 0.148 0.000 3.159 657 A HA 0.695 5.030 4.320 0.025 0.000 0.330 657 A C -2.717 175.035 177.584 0.280 0.000 1.032 657 A CA -1.129 51.012 52.037 0.172 0.000 0.841 657 A CB 1.147 20.241 19.000 0.156 0.000 1.093 657 A HN 0.096 nan 8.150 nan 0.000 0.478 658 P HA 0.025 nan 4.420 nan 0.000 0.269 658 P C 1.358 178.509 177.300 -0.248 0.000 1.217 658 P CA 0.422 63.495 63.100 -0.044 0.000 0.783 658 P CB 0.778 32.430 31.700 -0.080 0.000 0.898 659 S N 1.441 116.600 115.700 -0.900 0.000 2.440 659 S HA -0.171 4.314 4.470 0.025 0.000 0.238 659 S C 1.715 176.164 174.600 -0.253 0.000 1.010 659 S CA 1.106 58.916 58.200 -0.650 0.000 0.972 659 S CB -1.353 61.374 63.200 -0.788 0.000 0.774 659 S HN 0.353 nan 8.310 nan 0.000 0.501 660 L N 1.795 122.877 121.223 -0.235 0.000 2.129 660 L HA -0.110 4.245 4.340 0.025 0.000 0.212 660 L C 2.985 179.675 176.870 -0.300 0.000 1.087 660 L CA 1.679 56.373 54.840 -0.243 0.000 0.757 660 L CB -1.473 40.415 42.059 -0.284 0.000 0.896 660 L HN 0.645 nan 8.230 nan 0.000 0.434 661 T N -3.198 111.250 114.554 -0.176 0.000 3.129 661 T HA 0.192 4.557 4.350 0.025 0.000 0.251 661 T C 0.417 175.209 174.700 0.153 0.000 1.117 661 T CA 0.229 62.307 62.100 -0.037 0.000 1.034 661 T CB -0.359 68.586 68.868 0.129 0.000 0.968 661 T HN 0.172 nan 8.240 nan 0.000 0.526 662 V N -2.684 117.282 119.914 0.085 0.000 3.126 662 V HA 0.577 4.712 4.120 0.025 0.000 0.314 662 V C -0.204 175.938 176.094 0.079 0.000 1.138 662 V CA -0.970 61.407 62.300 0.129 0.000 1.034 662 V CB 2.163 34.078 31.823 0.154 0.000 1.075 662 V HN -0.000 nan 8.190 nan 0.000 0.442 663 D N 0.896 121.347 120.400 0.086 0.000 2.366 663 D HA 0.512 5.167 4.640 0.025 0.000 0.205 663 D C 0.533 176.823 176.300 -0.017 0.000 1.022 663 D CA 1.428 55.453 54.000 0.041 0.000 0.868 663 D CB 1.538 42.385 40.800 0.077 0.000 0.953 663 D HN 1.001 nan 8.370 nan 0.000 0.514 664 A N 0.105 122.931 122.820 0.010 0.000 2.586 664 A HA 0.530 4.865 4.320 0.025 0.000 0.291 664 A C -1.634 175.971 177.584 0.034 0.000 1.062 664 A CA -0.557 51.472 52.037 -0.013 0.000 0.666 664 A CB 1.411 20.389 19.000 -0.036 0.000 1.281 664 A HN -0.104 nan 8.150 nan 0.000 0.421 665 V N 0.957 120.882 119.914 0.020 0.000 2.709 665 V HA 0.604 4.739 4.120 0.025 0.000 0.308 665 V C -0.726 175.372 176.094 0.007 0.000 1.062 665 V CA -0.241 62.083 62.300 0.040 0.000 0.901 665 V CB 1.663 33.530 31.823 0.072 0.000 1.003 665 V HN 0.718 nan 8.190 nan 0.000 0.425 666 I N 3.900 124.481 120.570 0.018 0.000 2.465 666 I HA 0.565 4.750 4.170 0.025 0.000 0.291 666 I C -0.938 175.199 176.117 0.034 0.000 1.014 666 I CA -0.938 60.397 61.300 0.059 0.000 1.093 666 I CB 2.343 40.407 38.000 0.106 0.000 1.267 666 I HN 0.285 nan 8.210 nan 0.000 0.431 667 V N 7.619 127.567 119.914 0.057 0.000 2.378 667 V HA 0.392 4.527 4.120 0.025 0.000 0.288 667 V C -2.163 173.978 176.094 0.078 0.000 1.016 667 V CA -1.570 60.746 62.300 0.028 0.000 0.840 667 V CB 1.496 33.300 31.823 -0.031 0.000 0.994 667 V HN 0.553 nan 8.190 nan 0.000 0.431 668 P HA 0.422 nan 4.420 nan 0.000 0.278 668 P C -0.297 177.020 177.300 0.028 0.000 1.258 668 P CA -0.290 62.821 63.100 0.018 0.000 0.811 668 P CB 1.246 32.947 31.700 0.002 0.000 1.063 669 A N 0.581 123.395 122.820 -0.010 0.000 2.366 669 A HA 0.625 4.960 4.320 0.025 0.000 0.250 669 A C 0.824 178.413 177.584 0.008 0.000 1.099 669 A CA 0.834 52.872 52.037 0.001 0.000 0.794 669 A CB -0.907 18.073 19.000 -0.032 0.000 1.056 669 A HN 0.858 nan 8.150 nan 0.000 0.499 670 G N -0.570 108.237 108.800 0.013 0.000 2.366 670 G HA2 -0.030 3.945 3.960 0.025 0.000 0.190 670 G HA3 -0.030 3.945 3.960 0.025 0.000 0.190 670 G C -0.300 174.611 174.900 0.019 0.000 1.299 670 G CA -0.125 44.980 45.100 0.010 0.000 1.056 670 G HN 1.011 nan 8.290 nan 0.000 0.468 671 N N 1.493 120.209 118.700 0.027 0.000 2.971 671 N HA 0.099 4.854 4.740 0.025 0.000 0.294 671 N C 1.328 176.872 175.510 0.058 0.000 1.210 671 N CA -0.548 52.523 53.050 0.034 0.000 1.157 671 N CB -0.174 38.334 38.487 0.035 0.000 1.450 671 N HN 0.354 nan 8.380 nan 0.000 0.527 672 I N 1.660 122.255 120.570 0.042 0.000 2.454 672 I HA -0.202 3.983 4.170 0.025 0.000 0.254 672 I C 2.374 178.497 176.117 0.010 0.000 1.156 672 I CA 0.672 62.002 61.300 0.049 0.000 1.433 672 I CB -1.354 36.645 38.000 -0.001 0.000 1.082 672 I HN 0.454 nan 8.210 nan 0.000 0.432 673 A N 0.625 123.441 122.820 -0.006 0.000 2.019 673 A HA -0.269 4.066 4.320 0.025 0.000 0.219 673 A C 2.060 179.661 177.584 0.029 0.000 1.164 673 A CA 1.908 53.936 52.037 -0.015 0.000 0.644 673 A CB -0.671 18.319 19.000 -0.017 0.000 0.805 673 A HN 0.408 nan 8.150 nan 0.000 0.449 674 D N 0.445 120.889 120.400 0.073 0.000 2.158 674 D HA -0.186 4.469 4.640 0.025 0.000 0.197 674 D C 1.498 177.882 176.300 0.141 0.000 0.995 674 D CA 1.955 56.028 54.000 0.122 0.000 0.846 674 D CB -0.188 40.721 40.800 0.182 0.000 0.941 674 D HN 0.667 nan 8.370 nan 0.000 0.456 675 I N -4.389 116.280 120.570 0.165 0.000 4.327 675 I HA 0.485 4.670 4.170 0.025 0.000 0.331 675 I C 1.850 178.083 176.117 0.194 0.000 1.348 675 I CA -0.058 61.364 61.300 0.204 0.000 1.152 675 I CB 0.102 38.274 38.000 0.287 0.000 1.151 675 I HN -0.092 nan 8.210 nan 0.000 0.410 676 A N 1.533 124.377 122.820 0.041 0.000 1.978 676 A HA -0.172 4.163 4.320 0.025 0.000 0.220 676 A C 1.549 179.098 177.584 -0.058 0.000 1.170 676 A CA 2.117 54.044 52.037 -0.182 0.000 0.636 676 A CB -0.457 18.375 19.000 -0.279 0.000 0.810 676 A HN 0.526 nan 8.150 nan 0.000 0.448 677 D N -0.937 119.465 120.400 0.003 0.000 2.440 677 D HA 0.038 4.693 4.640 0.025 0.000 0.216 677 D C -0.089 176.235 176.300 0.039 0.000 1.150 677 D CA -0.206 53.801 54.000 0.012 0.000 0.832 677 D CB -0.167 40.632 40.800 -0.002 0.000 0.992 677 D HN 0.334 nan 8.370 nan 0.000 0.502 678 N N 1.145 119.883 118.700 0.064 0.000 2.420 678 N HA 0.029 4.784 4.740 0.025 0.000 0.262 678 N C 1.361 176.904 175.510 0.054 0.000 1.144 678 N CA 0.058 53.145 53.050 0.061 0.000 0.952 678 N CB 1.459 39.993 38.487 0.079 0.000 1.081 678 N HN 0.003 nan 8.380 nan 0.000 0.480 679 G N 3.347 112.178 108.800 0.052 0.000 2.440 679 G HA2 -0.261 3.714 3.960 0.025 0.000 0.218 679 G HA3 -0.261 3.714 3.960 0.025 0.000 0.218 679 G C 0.970 175.918 174.900 0.080 0.000 1.154 679 G CA 0.547 45.681 45.100 0.058 0.000 0.767 679 G HN 0.597 nan 8.290 nan 0.000 0.552 680 D N 0.981 121.431 120.400 0.082 0.000 2.117 680 D HA -0.022 4.633 4.640 0.025 0.000 0.197 680 D C 2.815 179.104 176.300 -0.017 0.000 0.987 680 D CA 1.192 55.268 54.000 0.126 0.000 0.829 680 D CB -0.491 40.446 40.800 0.228 0.000 0.961 680 D HN 0.308 nan 8.370 nan 0.000 0.460 681 A N 1.324 123.966 122.820 -0.296 0.000 1.858 681 A HA -0.215 4.120 4.320 0.025 0.000 0.216 681 A C 2.036 179.438 177.584 -0.304 0.000 1.190 681 A CA 1.448 53.098 52.037 -0.645 0.000 0.617 681 A CB -0.563 18.038 19.000 -0.666 0.000 0.827 681 A HN 0.148 nan 8.150 nan 0.000 0.443 682 N N -1.448 117.221 118.700 -0.051 0.000 2.069 682 N HA -0.204 4.551 4.740 0.025 0.000 0.191 682 N C 1.707 177.216 175.510 -0.001 0.000 1.031 682 N CA 1.892 54.965 53.050 0.039 0.000 0.852 682 N CB -0.573 37.995 38.487 0.134 0.000 1.018 682 N HN 0.684 nan 8.380 nan 0.000 0.423 683 Y N 0.490 120.764 120.300 -0.044 0.000 2.274 683 Y HA -0.272 4.293 4.550 0.025 0.000 0.290 683 Y C 2.389 178.246 175.900 -0.071 0.000 1.145 683 Y CA 1.247 59.317 58.100 -0.051 0.000 1.203 683 Y CB -0.346 38.089 38.460 -0.040 0.000 0.984 683 Y HN 0.045 nan 8.280 nan 0.000 0.533 684 Y N 0.262 120.441 120.300 -0.202 0.000 2.151 684 Y HA -0.322 4.242 4.550 0.025 0.000 0.284 684 Y C 2.064 177.774 175.900 -0.316 0.000 1.166 684 Y CA 2.101 60.054 58.100 -0.244 0.000 1.163 684 Y CB -0.408 37.905 38.460 -0.245 0.000 0.974 684 Y HN 0.122 nan 8.280 nan 0.000 0.511 685 L N -1.292 119.854 121.223 -0.129 0.000 2.109 685 L HA -0.227 4.127 4.340 0.025 0.000 0.207 685 L C 2.394 179.147 176.870 -0.194 0.000 1.086 685 L CA 1.218 55.966 54.840 -0.153 0.000 0.760 685 L CB -0.458 41.478 42.059 -0.205 0.000 0.910 685 L HN 0.274 nan 8.230 nan 0.000 0.437 686 M N -0.601 118.826 119.600 -0.289 0.000 2.132 686 M HA -0.211 4.284 4.480 0.025 0.000 0.263 686 M C 2.258 178.301 176.300 -0.429 0.000 1.065 686 M CA 1.635 56.756 55.300 -0.298 0.000 1.122 686 M CB -0.250 32.167 32.600 -0.306 0.000 1.365 686 M HN 0.205 nan 8.290 nan 0.000 0.411 687 E N 0.414 120.167 120.200 -0.744 0.000 2.047 687 E HA -0.187 4.178 4.350 0.025 0.000 0.191 687 E C 1.966 178.197 176.600 -0.615 0.000 0.987 687 E CA 1.302 57.226 56.400 -0.793 0.000 0.799 687 E CB 0.016 29.211 29.700 -0.842 0.000 0.752 687 E HN 0.473 nan 8.360 nan 0.000 0.449 688 A N 0.328 122.907 122.820 -0.401 0.000 1.902 688 A HA -0.211 4.124 4.320 0.025 0.000 0.217 688 A C 2.038 179.509 177.584 -0.187 0.000 1.181 688 A CA 1.492 53.387 52.037 -0.235 0.000 0.623 688 A CB -0.934 17.987 19.000 -0.131 0.000 0.818 688 A HN 0.544 nan 8.150 nan 0.000 0.443 689 Y N 0.604 120.742 120.300 -0.271 0.000 2.070 689 Y HA -0.246 4.319 4.550 0.025 0.000 0.280 689 Y C 2.430 178.199 175.900 -0.218 0.000 1.148 689 Y CA 2.431 60.402 58.100 -0.215 0.000 1.125 689 Y CB -0.313 38.035 38.460 -0.185 0.000 0.975 689 Y HN 0.322 nan 8.280 nan 0.000 0.492 690 K N -0.595 119.664 120.400 -0.235 0.000 2.113 690 K HA -0.260 4.075 4.320 0.025 0.000 0.208 690 K C 1.114 177.582 176.600 -0.220 0.000 1.047 690 K CA 2.217 58.341 56.287 -0.272 0.000 0.928 690 K CB -0.497 31.810 32.500 -0.322 0.000 0.716 690 K HN 0.613 nan 8.250 nan 0.000 0.446 691 H N 0.132 119.073 119.070 -0.213 0.000 2.524 691 H HA 0.188 4.759 4.556 0.025 0.000 0.280 691 H C -0.020 175.143 175.328 -0.275 0.000 1.018 691 H CA 0.159 56.083 56.048 -0.207 0.000 1.165 691 H CB 0.124 29.762 29.762 -0.207 0.000 1.411 691 H HN 0.130 nan 8.280 nan 0.000 0.569 692 L N -0.087 120.978 121.223 -0.263 0.000 4.089 692 L HA -0.273 4.082 4.340 0.025 0.000 0.408 692 L C -0.357 176.248 176.870 -0.442 0.000 1.184 692 L CA 0.597 55.193 54.840 -0.407 0.000 0.947 692 L CB -1.761 40.033 42.059 -0.441 0.000 2.066 692 L HN 0.297 nan 8.230 nan 0.000 0.851 693 K N 0.894 121.101 120.400 -0.321 0.000 2.174 693 K HA 0.483 4.818 4.320 0.025 0.000 0.275 693 K C -2.138 174.328 176.600 -0.224 0.000 1.015 693 K CA -1.803 54.321 56.287 -0.272 0.000 0.933 693 K CB 0.730 33.125 32.500 -0.176 0.000 1.025 693 K HN -0.213 nan 8.250 nan 0.000 0.463 694 P HA 0.074 nan 4.420 nan 0.000 0.268 694 P C -0.757 176.479 177.300 -0.106 0.000 1.205 694 P CA 0.354 63.356 63.100 -0.164 0.000 0.771 694 P CB 0.454 32.056 31.700 -0.163 0.000 0.858 695 I N 1.595 122.115 120.570 -0.083 0.000 2.569 695 I HA 0.595 4.780 4.170 0.025 0.000 0.290 695 I C -0.482 175.591 176.117 -0.073 0.000 1.088 695 I CA -0.828 60.442 61.300 -0.050 0.000 1.047 695 I CB 2.262 40.259 38.000 -0.005 0.000 1.237 695 I HN 0.253 nan 8.210 nan 0.000 0.421 696 A N 7.535 130.316 122.820 -0.065 0.000 2.343 696 A HA 0.915 5.250 4.320 0.025 0.000 0.316 696 A C -1.151 176.525 177.584 0.153 0.000 1.104 696 A CA -0.449 51.540 52.037 -0.081 0.000 0.768 696 A CB 1.084 19.889 19.000 -0.325 0.000 1.213 696 A HN 0.663 nan 8.150 nan 0.000 0.456 697 L N 2.068 123.441 121.223 0.251 0.000 2.376 697 L HA 0.720 5.075 4.340 0.025 0.000 0.275 697 L C 0.144 177.203 176.870 0.315 0.000 0.987 697 L CA -0.548 54.440 54.840 0.247 0.000 0.828 697 L CB 1.978 44.133 42.059 0.161 0.000 1.249 697 L HN 0.805 nan 8.230 nan 0.000 0.409 698 A N 2.214 125.130 122.820 0.160 0.000 2.337 698 A HA 0.889 5.224 4.320 0.025 0.000 0.329 698 A C 0.538 178.108 177.584 -0.023 0.000 1.146 698 A CA 0.244 52.249 52.037 -0.053 0.000 0.800 698 A CB 1.357 20.151 19.000 -0.342 0.000 1.220 698 A HN 0.983 nan 8.150 nan 0.000 0.472 699 G N 1.921 110.696 108.800 -0.041 0.000 2.614 699 G HA2 -0.350 3.625 3.960 0.025 0.000 0.303 699 G HA3 -0.350 3.625 3.960 0.025 0.000 0.303 699 G C 0.554 175.457 174.900 0.006 0.000 1.270 699 G CA 0.728 45.814 45.100 -0.023 0.000 0.988 699 G HN 1.265 nan 8.290 nan 0.000 0.551 700 D N 1.219 121.620 120.400 0.002 0.000 2.378 700 D HA 0.149 4.804 4.640 0.025 0.000 0.222 700 D C 2.299 178.611 176.300 0.020 0.000 0.980 700 D CA 1.456 55.454 54.000 -0.003 0.000 0.907 700 D CB -0.556 40.234 40.800 -0.017 0.000 0.899 700 D HN 0.934 nan 8.370 nan 0.000 0.527 701 A N 1.415 124.282 122.820 0.078 0.000 2.076 701 A HA -0.188 4.147 4.320 0.025 0.000 0.220 701 A C 2.225 179.928 177.584 0.199 0.000 1.160 701 A CA 0.717 52.872 52.037 0.196 0.000 0.653 701 A CB -0.678 18.445 19.000 0.205 0.000 0.801 701 A HN 0.138 nan 8.150 nan 0.000 0.455 702 R N -0.299 120.263 120.500 0.103 0.000 2.249 702 R HA -0.115 4.240 4.340 0.025 0.000 0.230 702 R C 1.789 178.107 176.300 0.030 0.000 1.121 702 R CA 1.342 57.489 56.100 0.078 0.000 0.997 702 R CB -0.221 30.109 30.300 0.051 0.000 0.867 702 R HN 0.534 nan 8.270 nan 0.000 0.465 703 K N -0.090 120.288 120.400 -0.038 0.000 2.152 703 K HA -0.140 4.195 4.320 0.025 0.000 0.206 703 K C 1.380 177.876 176.600 -0.174 0.000 1.048 703 K CA 1.321 57.524 56.287 -0.140 0.000 0.933 703 K CB -0.141 32.216 32.500 -0.237 0.000 0.721 703 K HN 0.157 nan 8.250 nan 0.000 0.447 704 F N 1.464 121.389 119.950 -0.042 0.000 2.494 704 F HA -0.141 4.401 4.527 0.025 0.000 0.298 704 F C 1.919 177.669 175.800 -0.082 0.000 1.106 704 F CA 0.826 58.789 58.000 -0.062 0.000 1.452 704 F CB -0.092 38.871 39.000 -0.061 0.000 1.085 704 F HN -0.042 nan 8.300 nan 0.000 0.569 705 K N 0.307 120.752 120.400 0.075 0.000 2.113 705 K HA -0.233 4.102 4.320 0.025 0.000 0.208 705 K C 2.330 178.902 176.600 -0.047 0.000 1.047 705 K CA 1.255 57.538 56.287 -0.006 0.000 0.928 705 K CB -0.382 32.112 32.500 -0.010 0.000 0.716 705 K HN 0.284 nan 8.250 nan 0.000 0.446 706 A N 0.633 123.430 122.820 -0.038 0.000 1.972 706 A HA -0.143 4.192 4.320 0.025 0.000 0.219 706 A C 2.132 179.686 177.584 -0.050 0.000 1.169 706 A CA 1.919 53.925 52.037 -0.051 0.000 0.635 706 A CB -0.790 18.177 19.000 -0.056 0.000 0.810 706 A HN 0.267 nan 8.150 nan 0.000 0.446 707 T N 0.749 115.291 114.554 -0.020 0.000 2.759 707 T HA -0.128 4.237 4.350 0.025 0.000 0.269 707 T C 1.513 176.156 174.700 -0.095 0.000 1.042 707 T CA 1.739 63.832 62.100 -0.011 0.000 1.140 707 T CB -0.481 68.441 68.868 0.089 0.000 0.864 707 T HN 0.733 nan 8.240 nan 0.000 0.455 708 I N -2.338 118.122 120.570 -0.184 0.000 3.976 708 I HA 0.378 4.563 4.170 0.025 0.000 0.337 708 I C -0.330 175.535 176.117 -0.420 0.000 1.359 708 I CA -0.474 60.579 61.300 -0.412 0.000 1.098 708 I CB 0.058 37.637 38.000 -0.702 0.000 1.027 708 I HN -0.126 nan 8.210 nan 0.000 0.394 709 K N 2.105 122.374 120.400 -0.218 0.000 3.239 709 K HA -0.095 4.239 4.320 0.025 0.000 0.270 709 K C -0.510 176.011 176.600 -0.131 0.000 1.049 709 K CA 0.414 56.617 56.287 -0.141 0.000 0.769 709 K CB -1.525 30.914 32.500 -0.101 0.000 1.305 709 K HN 0.351 nan 8.250 nan 0.000 0.469 710 I N 0.610 121.106 120.570 -0.123 0.000 2.385 710 I HA 0.292 4.477 4.170 0.025 0.000 0.294 710 I C 1.345 177.439 176.117 -0.039 0.000 0.988 710 I CA -0.980 60.273 61.300 -0.079 0.000 1.265 710 I CB 1.096 39.052 38.000 -0.073 0.000 1.388 710 I HN 0.294 nan 8.210 nan 0.000 0.480 711 A N 4.812 127.622 122.820 -0.018 0.000 2.466 711 A HA 0.071 4.406 4.320 0.025 0.000 0.238 711 A C 1.113 178.692 177.584 -0.008 0.000 1.074 711 A CA -0.137 51.894 52.037 -0.010 0.000 0.774 711 A CB 0.049 19.048 19.000 -0.000 0.000 1.015 711 A HN 0.775 nan 8.150 nan 0.000 0.498 712 D N 0.427 120.823 120.400 -0.007 0.000 2.133 712 D HA -0.188 4.467 4.640 0.025 0.000 0.195 712 D C 1.884 178.185 176.300 0.001 0.000 0.997 712 D CA 1.947 55.945 54.000 -0.004 0.000 0.840 712 D CB -0.042 40.755 40.800 -0.004 0.000 0.947 712 D HN 0.771 nan 8.370 nan 0.000 0.452 713 Q N 1.247 121.048 119.800 0.002 0.000 2.482 713 Q HA 0.096 4.451 4.340 0.025 0.000 0.209 713 Q C 0.701 176.705 176.000 0.006 0.000 0.961 713 Q CA 1.069 56.875 55.803 0.005 0.000 0.945 713 Q CB -0.026 28.715 28.738 0.005 0.000 1.012 713 Q HN 0.190 nan 8.270 nan 0.000 0.515 714 G N 1.091 109.895 108.800 0.006 0.000 2.631 714 G HA2 -0.185 3.790 3.960 0.025 0.000 0.504 714 G HA3 -0.185 3.790 3.960 0.025 0.000 0.504 714 G C -1.312 173.593 174.900 0.008 0.000 1.306 714 G CA -0.228 44.876 45.100 0.007 0.000 0.897 714 G HN 0.635 nan 8.290 nan 0.000 0.520 715 E N -0.875 119.331 120.200 0.010 0.000 2.375 715 E HA 0.526 4.891 4.350 0.025 0.000 0.280 715 E C -0.853 175.746 176.600 -0.001 0.000 0.972 715 E CA -1.023 55.384 56.400 0.013 0.000 0.782 715 E CB 1.389 31.111 29.700 0.036 0.000 1.229 715 E HN 0.392 nan 8.360 nan 0.000 0.439 716 E N 1.088 121.280 120.200 -0.014 0.000 2.558 716 E HA 0.176 4.540 4.350 0.025 0.000 0.255 716 E C 0.950 177.515 176.600 -0.059 0.000 0.968 716 E CA 1.775 58.151 56.400 -0.039 0.000 0.939 716 E CB 0.715 30.390 29.700 -0.042 0.000 0.921 716 E HN 0.937 nan 8.360 nan 0.000 0.477 717 G N 2.884 111.635 108.800 -0.083 0.000 2.195 717 G HA2 -0.208 3.767 3.960 0.025 0.000 0.224 717 G HA3 -0.208 3.767 3.960 0.025 0.000 0.224 717 G C 0.142 174.995 174.900 -0.079 0.000 0.990 717 G CA -0.280 44.752 45.100 -0.114 0.000 0.639 717 G HN 0.407 nan 8.290 nan 0.000 0.514 718 I N 2.074 122.620 120.570 -0.041 0.000 2.355 718 I HA 0.469 4.654 4.170 0.025 0.000 0.288 718 I C 0.482 176.559 176.117 -0.068 0.000 0.999 718 I CA -1.180 60.102 61.300 -0.031 0.000 1.163 718 I CB 1.320 39.330 38.000 0.017 0.000 1.316 718 I HN -0.108 nan 8.210 nan 0.000 0.454 719 V N 7.537 127.372 119.914 -0.131 0.000 2.432 719 V HA 0.343 4.478 4.120 0.025 0.000 0.275 719 V C 0.245 176.281 176.094 -0.096 0.000 1.043 719 V CA -0.419 61.757 62.300 -0.208 0.000 0.925 719 V CB 0.980 32.519 31.823 -0.474 0.000 0.985 719 V HN 0.858 nan 8.190 nan 0.000 0.466 720 E N 4.336 124.555 120.200 0.032 0.000 2.343 720 E HA 0.884 5.249 4.350 0.025 0.000 0.278 720 E C -0.959 175.778 176.600 0.229 0.000 0.910 720 E CA -0.988 55.522 56.400 0.182 0.000 0.757 720 E CB 2.607 32.370 29.700 0.104 0.000 1.218 720 E HN 0.745 nan 8.360 nan 0.000 0.435 721 A N 1.843 124.825 122.820 0.271 0.000 2.586 721 A HA 0.382 4.717 4.320 0.025 0.000 0.290 721 A C -0.489 177.123 177.584 0.047 0.000 1.086 721 A CA -0.652 51.479 52.037 0.157 0.000 0.665 721 A CB 1.251 20.380 19.000 0.215 0.000 1.279 721 A HN 0.595 nan 8.150 nan 0.000 0.423 722 D N 0.482 120.888 120.400 0.010 0.000 2.178 722 D HA 0.026 4.681 4.640 0.025 0.000 0.201 722 D C 1.060 177.312 176.300 -0.081 0.000 0.980 722 D CA 2.357 56.342 54.000 -0.025 0.000 0.842 722 D CB 0.088 40.877 40.800 -0.020 0.000 0.948 722 D HN 0.808 nan 8.370 nan 0.000 0.472 723 S N -2.130 113.488 115.700 -0.137 0.000 2.625 723 S HA 0.632 5.117 4.470 0.025 0.000 0.271 723 S C 0.094 174.400 174.600 -0.489 0.000 1.161 723 S CA -0.292 57.759 58.200 -0.247 0.000 0.820 723 S CB 1.656 64.765 63.200 -0.151 0.000 1.137 723 S HN -0.076 nan 8.310 nan 0.000 0.470 724 A N 0.722 123.185 122.820 -0.594 0.000 2.259 724 A HA 0.258 4.593 4.320 0.025 0.000 0.208 724 A C 0.728 178.147 177.584 -0.275 0.000 1.201 724 A CA 0.635 52.144 52.037 -0.881 0.000 0.824 724 A CB -1.157 17.463 19.000 -0.633 0.000 0.838 724 A HN 0.894 nan 8.150 nan 0.000 0.485 725 D N -1.460 118.848 120.400 -0.153 0.000 2.453 725 D HA 0.451 5.106 4.640 0.025 0.000 0.282 725 D C 1.172 177.495 176.300 0.038 0.000 1.222 725 D CA 0.352 54.333 54.000 -0.032 0.000 1.079 725 D CB -0.528 40.250 40.800 -0.038 0.000 1.128 725 D HN 0.633 nan 8.370 nan 0.000 0.568 726 G N -0.138 108.684 108.800 0.036 0.000 2.634 726 G HA2 -0.327 3.648 3.960 0.025 0.000 0.309 726 G HA3 -0.327 3.648 3.960 0.025 0.000 0.309 726 G C 0.853 175.802 174.900 0.081 0.000 1.265 726 G CA 1.994 47.125 45.100 0.051 0.000 0.998 726 G HN 1.327 nan 8.290 nan 0.000 0.551 727 S N -0.152 115.602 115.700 0.090 0.000 2.593 727 S HA 0.307 4.792 4.470 0.025 0.000 0.217 727 S C 1.804 176.474 174.600 0.117 0.000 0.966 727 S CA 1.108 59.356 58.200 0.080 0.000 0.914 727 S CB -0.024 63.205 63.200 0.049 0.000 0.776 727 S HN 1.006 nan 8.310 nan 0.000 0.523 728 F N 2.661 122.609 119.950 -0.004 0.000 2.069 728 F HA -0.075 4.467 4.527 0.025 0.000 0.298 728 F C 2.179 177.975 175.800 -0.007 0.000 1.113 728 F CA 1.640 59.637 58.000 -0.005 0.000 1.214 728 F CB -0.249 38.749 39.000 -0.003 0.000 0.978 728 F HN 0.149 nan 8.300 nan 0.000 0.474 729 M N 0.183 119.939 119.600 0.258 0.000 2.175 729 M HA -0.155 4.340 4.480 0.025 0.000 0.264 729 M C 1.782 178.085 176.300 0.006 0.000 1.063 729 M CA 1.287 56.654 55.300 0.111 0.000 1.119 729 M CB -1.362 31.324 32.600 0.144 0.000 1.377 729 M HN 0.138 nan 8.290 nan 0.000 0.415 730 D N 0.514 120.925 120.400 0.019 0.000 2.117 730 D HA -0.150 4.505 4.640 0.025 0.000 0.197 730 D C 1.971 178.246 176.300 -0.041 0.000 0.987 730 D CA 1.194 55.190 54.000 -0.007 0.000 0.829 730 D CB -0.137 40.666 40.800 0.006 0.000 0.961 730 D HN 0.470 nan 8.370 nan 0.000 0.460 731 E N 0.323 120.483 120.200 -0.067 0.000 2.072 731 E HA -0.105 4.260 4.350 0.025 0.000 0.191 731 E C 2.132 178.646 176.600 -0.142 0.000 0.985 731 E CA 0.130 56.469 56.400 -0.100 0.000 0.801 731 E CB -0.031 29.598 29.700 -0.119 0.000 0.750 731 E HN 0.149 nan 8.360 nan 0.000 0.452 732 L N 0.968 122.068 121.223 -0.205 0.000 2.017 732 L HA -0.191 4.164 4.340 0.025 0.000 0.208 732 L C 2.127 178.927 176.870 -0.118 0.000 1.073 732 L CA 1.630 56.346 54.840 -0.205 0.000 0.745 732 L CB -0.418 41.482 42.059 -0.264 0.000 0.894 732 L HN 0.244 nan 8.230 nan 0.000 0.432 733 L N -0.571 120.605 121.223 -0.079 0.000 2.131 733 L HA -0.196 4.159 4.340 0.025 0.000 0.210 733 L C 2.453 179.298 176.870 -0.043 0.000 1.092 733 L CA 1.406 56.217 54.840 -0.048 0.000 0.759 733 L CB -0.720 41.322 42.059 -0.029 0.000 0.903 733 L HN 0.252 nan 8.230 nan 0.000 0.435 734 T N 0.077 114.601 114.554 -0.050 0.000 2.777 734 T HA -0.123 4.242 4.350 0.025 0.000 0.266 734 T C 1.954 176.621 174.700 -0.055 0.000 1.040 734 T CA 1.142 63.218 62.100 -0.041 0.000 1.141 734 T CB -0.183 68.662 68.868 -0.039 0.000 0.868 734 T HN 0.192 nan 8.240 nan 0.000 0.444 735 L N 0.335 121.507 121.223 -0.086 0.000 2.046 735 L HA -0.074 4.281 4.340 0.025 0.000 0.208 735 L C 2.695 179.501 176.870 -0.108 0.000 1.077 735 L CA 1.319 56.089 54.840 -0.117 0.000 0.747 735 L CB -0.552 41.418 42.059 -0.149 0.000 0.896 735 L HN 0.306 nan 8.230 nan 0.000 0.432 736 M N -0.747 118.806 119.600 -0.079 0.000 2.229 736 M HA -0.144 4.351 4.480 0.025 0.000 0.264 736 M C 2.449 178.750 176.300 0.002 0.000 1.063 736 M CA 1.562 56.834 55.300 -0.047 0.000 1.114 736 M CB -0.478 32.105 32.600 -0.029 0.000 1.387 736 M HN 0.308 nan 8.290 nan 0.000 0.420 737 A N 0.316 123.137 122.820 0.001 0.000 2.019 737 A HA 0.049 4.384 4.320 0.025 0.000 0.219 737 A C 2.118 179.741 177.584 0.066 0.000 1.164 737 A CA 1.697 53.754 52.037 0.034 0.000 0.644 737 A CB -0.580 18.434 19.000 0.024 0.000 0.805 737 A HN 0.497 nan 8.150 nan 0.000 0.449 738 A N -2.697 120.141 122.820 0.030 0.000 2.307 738 A HA 0.385 4.720 4.320 0.025 0.000 0.218 738 A C 0.878 178.485 177.584 0.038 0.000 1.228 738 A CA 1.165 53.234 52.037 0.055 0.000 0.857 738 A CB -0.439 18.555 19.000 -0.011 0.000 0.897 738 A HN 0.959 nan 8.150 nan 0.000 0.495 739 H N -1.211 117.798 119.070 -0.102 0.000 4.823 739 H HA -0.182 4.389 4.556 0.025 0.000 0.064 739 H C 0.070 175.175 175.328 -0.371 0.000 0.599 739 H CA 2.367 58.336 56.048 -0.131 0.000 0.956 739 H CB -0.614 29.177 29.762 0.049 0.000 0.432 739 H HN 0.451 nan 8.280 nan 0.000 0.798 740 R N -0.302 119.613 120.500 -0.975 0.000 2.836 740 R HA 0.625 4.980 4.340 0.025 0.000 0.269 740 R C -0.602 174.855 176.300 -1.406 0.000 1.010 740 R CA -0.292 54.999 56.100 -1.348 0.000 0.930 740 R CB 1.716 30.892 30.300 -1.873 0.000 1.218 740 R HN 0.075 nan 8.270 nan 0.000 0.473 741 V N 2.297 121.603 119.914 -1.014 0.000 2.174 741 V HA 0.103 4.238 4.120 0.025 0.000 0.259 741 V C 0.687 176.391 176.094 -0.649 0.000 1.261 741 V CA -0.462 61.419 62.300 -0.699 0.000 1.137 741 V CB -0.420 31.144 31.823 -0.432 0.000 1.290 741 V HN 0.710 nan 8.190 nan 0.000 0.486 742 W N 1.473 122.474 121.300 -0.499 0.000 2.350 742 W HA -0.211 4.464 4.660 0.025 0.000 0.289 742 W C 2.586 178.884 176.519 -0.368 0.000 1.215 742 W CA 0.980 57.944 57.345 -0.636 0.000 1.236 742 W CB -0.514 28.122 29.460 -1.374 0.000 1.130 742 W HN 0.644 nan 8.180 nan 0.000 0.541 743 S N 0.851 116.491 115.700 -0.099 0.000 2.440 743 S HA -0.222 4.263 4.470 0.025 0.000 0.238 743 S C 1.753 176.315 174.600 -0.063 0.000 1.010 743 S CA 1.177 59.347 58.200 -0.050 0.000 0.972 743 S CB -0.504 62.668 63.200 -0.046 0.000 0.774 743 S HN 0.428 nan 8.310 nan 0.000 0.501 744 R N 0.619 121.039 120.500 -0.134 0.000 2.276 744 R HA 0.210 4.565 4.340 0.025 0.000 0.203 744 R C 1.867 178.100 176.300 -0.112 0.000 1.017 744 R CA 0.566 56.567 56.100 -0.165 0.000 1.010 744 R CB -0.418 29.671 30.300 -0.353 0.000 0.900 744 R HN 0.503 nan 8.270 nan 0.000 0.469 745 I N 1.469 122.012 120.570 -0.045 0.000 2.145 745 I HA -0.256 3.929 4.170 0.025 0.000 0.244 745 I C -0.819 175.323 176.117 0.042 0.000 1.075 745 I CA 1.505 62.822 61.300 0.029 0.000 1.332 745 I CB -0.869 37.200 38.000 0.114 0.000 1.033 745 I HN 0.157 nan 8.210 nan 0.000 0.410 746 P HA -0.128 nan 4.420 nan 0.000 0.221 746 P C 1.242 178.572 177.300 0.050 0.000 1.150 746 P CA 1.243 64.374 63.100 0.051 0.000 0.800 746 P CB 0.072 31.800 31.700 0.047 0.000 0.787 747 K N -0.294 120.131 120.400 0.042 0.000 2.228 747 K HA 0.007 4.342 4.320 0.025 0.000 0.202 747 K C 1.944 178.605 176.600 0.102 0.000 1.051 747 K CA 0.815 57.150 56.287 0.079 0.000 0.960 747 K CB -0.868 31.702 32.500 0.117 0.000 0.743 747 K HN 0.281 nan 8.250 nan 0.000 0.458 748 I N -1.939 118.659 120.570 0.047 0.000 2.617 748 I HA -0.060 4.125 4.170 0.025 0.000 0.256 748 I C 1.455 177.612 176.117 0.067 0.000 1.167 748 I CA 1.215 62.546 61.300 0.050 0.000 1.469 748 I CB -0.197 37.776 38.000 -0.045 0.000 1.098 748 I HN -0.080 nan 8.210 nan 0.000 0.436 749 D N 2.712 123.152 120.400 0.067 0.000 2.220 749 D HA -0.250 4.405 4.640 0.025 0.000 0.198 749 D C 1.803 178.144 176.300 0.069 0.000 1.001 749 D CA 1.983 56.027 54.000 0.073 0.000 0.875 749 D CB 0.063 40.907 40.800 0.072 0.000 0.921 749 D HN 0.643 nan 8.370 nan 0.000 0.454 750 K N -0.588 119.853 120.400 0.067 0.000 2.387 750 K HA 0.176 4.511 4.320 0.025 0.000 0.203 750 K C 0.589 177.223 176.600 0.057 0.000 1.030 750 K CA -0.377 55.945 56.287 0.059 0.000 1.099 750 K CB 0.680 33.211 32.500 0.052 0.000 0.863 750 K HN 0.182 nan 8.250 nan 0.000 0.529 751 I N 4.586 125.196 120.570 0.067 0.000 2.556 751 I HA 0.066 4.251 4.170 0.025 0.000 0.284 751 I C -2.086 174.062 176.117 0.053 0.000 1.114 751 I CA -2.199 59.138 61.300 0.062 0.000 1.418 751 I CB 0.984 39.038 38.000 0.089 0.000 1.394 751 I HN 0.010 nan 8.210 nan 0.000 0.552 752 P HA 0.381 nan 4.420 nan 0.000 0.241 752 P C -1.024 176.333 177.300 0.095 0.000 1.780 752 P CA -0.085 63.052 63.100 0.062 0.000 1.111 752 P CB 0.430 32.160 31.700 0.051 0.000 1.852 753 A N 0.000 122.878 122.820 0.096 0.000 2.254 753 A HA 0.000 4.335 4.320 0.025 0.000 0.244 753 A CA 0.000 52.138 52.037 0.169 0.000 0.836 753 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486