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 3pq2_1_C DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.563 174.600 -0.062 0.000 1.055 28 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 28 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 29 L N 2.687 123.865 121.223 -0.075 0.000 2.477 29 L HA 0.401 4.772 4.340 0.051 0.000 0.220 29 L C 1.456 178.251 176.870 -0.126 0.000 1.106 29 L CA 0.395 55.187 54.840 -0.080 0.000 0.851 29 L CB -0.409 41.614 42.059 -0.059 0.000 0.994 29 L HN 0.700 nan 8.230 nan 0.000 0.462 30 A N 1.757 124.449 122.820 -0.213 0.000 2.445 30 A HA 0.360 4.711 4.320 0.051 0.000 0.242 30 A C -1.966 175.470 177.584 -0.247 0.000 1.075 30 A CA -0.945 50.846 52.037 -0.410 0.000 0.777 30 A CB -0.543 17.948 19.000 -0.849 0.000 1.013 30 A HN -0.006 nan 8.150 nan 0.000 0.493 31 P HA 0.084 nan 4.420 nan 0.000 0.269 31 P C 0.182 177.467 177.300 -0.026 0.000 1.209 31 P CA 0.020 63.088 63.100 -0.054 0.000 0.776 31 P CB 0.823 32.531 31.700 0.013 0.000 0.876 32 E N 1.073 121.267 120.200 -0.009 0.000 2.153 32 E HA -0.210 4.170 4.350 0.051 0.000 0.194 32 E C 1.132 177.752 176.600 0.032 0.000 0.988 32 E CA 1.555 57.958 56.400 0.005 0.000 0.811 32 E CB -0.184 29.517 29.700 0.001 0.000 0.746 32 E HN 0.523 nan 8.360 nan 0.000 0.466 33 D N -1.430 118.995 120.400 0.042 0.000 2.349 33 D HA 0.024 4.695 4.640 0.051 0.000 0.224 33 D C 1.194 177.543 176.300 0.081 0.000 1.029 33 D CA 0.755 54.785 54.000 0.050 0.000 0.879 33 D CB -0.155 40.667 40.800 0.037 0.000 0.906 33 D HN 0.214 nan 8.370 nan 0.000 0.528 34 G N 0.517 109.409 108.800 0.153 0.000 2.153 34 G HA2 -0.357 3.633 3.960 0.051 0.000 0.252 34 G HA3 -0.357 3.633 3.960 0.051 0.000 0.252 34 G C 0.990 175.980 174.900 0.149 0.000 0.994 34 G CA 0.859 46.101 45.100 0.237 0.000 0.698 34 G HN 0.718 nan 8.290 nan 0.000 0.521 35 S N 0.403 116.199 115.700 0.160 0.000 2.603 35 S HA -0.009 4.491 4.470 0.051 0.000 0.229 35 S C 1.887 176.541 174.600 0.090 0.000 0.972 35 S CA 1.083 59.330 58.200 0.079 0.000 0.935 35 S CB -0.503 62.735 63.200 0.062 0.000 0.769 35 S HN 0.933 nan 8.310 nan 0.000 0.536 36 H N 0.544 119.620 119.070 0.010 0.000 2.482 36 H HA 0.288 4.875 4.556 0.051 0.000 0.286 36 H C 0.759 176.097 175.328 0.018 0.000 1.017 36 H CA 0.202 56.257 56.048 0.011 0.000 1.322 36 H CB -0.339 29.429 29.762 0.010 0.000 1.426 36 H HN 0.271 nan 8.280 nan 0.000 0.546 37 R N 2.611 122.767 120.500 -0.574 0.000 2.229 37 R HA 0.334 4.704 4.340 0.051 0.000 0.328 37 R C -2.518 173.688 176.300 -0.157 0.000 1.009 37 R CA -2.078 53.786 56.100 -0.394 0.000 0.864 37 R CB 0.664 30.672 30.300 -0.487 0.000 1.085 37 R HN 0.159 nan 8.270 nan 0.000 0.453 38 P HA 0.115 nan 4.420 nan 0.000 0.271 38 P C -1.045 176.246 177.300 -0.015 0.000 1.216 38 P CA -0.255 62.834 63.100 -0.018 0.000 0.771 38 P CB 1.016 32.731 31.700 0.025 0.000 0.864 39 A N 3.267 126.084 122.820 -0.005 0.000 2.566 39 A HA 0.321 4.671 4.320 0.051 0.000 0.245 39 A C 0.924 178.518 177.584 0.017 0.000 1.056 39 A CA 0.231 52.268 52.037 0.001 0.000 0.757 39 A CB -0.533 18.471 19.000 0.006 0.000 0.979 39 A HN 0.586 nan 8.150 nan 0.000 0.508 40 A N 3.730 126.559 122.820 0.015 0.000 3.063 40 A HA 0.505 4.855 4.320 0.051 0.000 0.263 40 A C 0.372 177.974 177.584 0.030 0.000 1.736 40 A CA 0.249 52.302 52.037 0.026 0.000 1.408 40 A CB -0.858 18.154 19.000 0.021 0.000 1.108 40 A HN 0.961 nan 8.150 nan 0.000 0.621 41 E N -0.568 119.653 120.200 0.035 0.000 2.396 41 E HA 0.422 4.802 4.350 0.051 0.000 0.280 41 E C -3.327 173.297 176.600 0.040 0.000 1.065 41 E CA -2.304 54.118 56.400 0.037 0.000 0.831 41 E CB 0.429 30.145 29.700 0.027 0.000 1.272 41 E HN 0.054 nan 8.360 nan 0.000 0.443 42 P HA 0.096 nan 4.420 nan 0.000 0.267 42 P C -0.876 176.434 177.300 0.017 0.000 1.209 42 P CA 0.397 63.514 63.100 0.028 0.000 0.763 42 P CB 0.550 32.258 31.700 0.013 0.000 0.816 43 T N 1.085 115.645 114.554 0.010 0.000 2.916 43 T HA 0.629 5.010 4.350 0.051 0.000 0.305 43 T C -3.003 171.675 174.700 -0.037 0.000 1.119 43 T CA -2.573 59.527 62.100 0.000 0.000 1.008 43 T CB 1.736 70.609 68.868 0.008 0.000 1.129 43 T HN 0.038 nan 8.240 nan 0.000 0.480 44 P HA 0.402 nan 4.420 nan 0.000 0.274 44 P C -2.805 174.355 177.300 -0.233 0.000 1.246 44 P CA -1.730 61.234 63.100 -0.226 0.000 0.795 44 P CB -0.889 30.737 31.700 -0.123 0.000 1.006 45 P HA 0.126 nan 4.420 nan 0.000 0.267 45 P C 1.004 178.250 177.300 -0.091 0.000 1.205 45 P CA 1.250 64.246 63.100 -0.174 0.000 0.765 45 P CB -0.119 31.472 31.700 -0.183 0.000 0.828 46 G N 2.657 111.435 108.800 -0.036 0.000 2.234 46 G HA2 -0.316 3.675 3.960 0.051 0.000 0.235 46 G HA3 -0.316 3.675 3.960 0.051 0.000 0.235 46 G C 1.142 176.037 174.900 -0.008 0.000 0.997 46 G CA 0.356 45.448 45.100 -0.013 0.000 0.623 46 G HN 0.650 nan 8.290 nan 0.000 0.514 47 A N -0.936 121.874 122.820 -0.016 0.000 1.970 47 A HA 0.442 4.793 4.320 0.051 0.000 0.216 47 A C 1.323 178.909 177.584 0.003 0.000 1.170 47 A CA 1.955 53.989 52.037 -0.006 0.000 0.645 47 A CB -0.002 18.993 19.000 -0.008 0.000 0.816 47 A HN 0.468 nan 8.150 nan 0.000 0.447 48 Q N -1.078 118.727 119.800 0.008 0.000 2.456 48 Q HA 0.456 4.827 4.340 0.051 0.000 0.283 48 Q C -2.926 173.087 176.000 0.022 0.000 1.084 48 Q CA -1.997 53.815 55.803 0.015 0.000 0.801 48 Q CB 0.959 29.710 28.738 0.022 0.000 1.434 48 Q HN 0.063 nan 8.270 nan 0.000 0.419 49 P HA 0.071 nan 4.420 nan 0.000 0.272 49 P C -0.347 176.983 177.300 0.049 0.000 1.223 49 P CA -0.007 63.106 63.100 0.022 0.000 0.784 49 P CB 0.321 32.031 31.700 0.017 0.000 0.923 50 T N -0.873 113.709 114.554 0.045 0.000 2.860 50 T HA 0.608 4.989 4.350 0.051 0.000 0.299 50 T C -0.068 174.715 174.700 0.138 0.000 1.045 50 T CA -0.555 61.616 62.100 0.119 0.000 1.071 50 T CB 0.669 69.545 68.868 0.014 0.000 0.985 50 T HN 0.528 nan 8.240 nan 0.000 0.537 51 A N 1.921 124.923 122.820 0.303 0.000 2.587 51 A HA 0.796 5.147 4.320 0.051 0.000 0.293 51 A C -2.969 174.880 177.584 0.441 0.000 1.087 51 A CA -2.124 50.069 52.037 0.259 0.000 0.692 51 A CB 0.762 19.867 19.000 0.176 0.000 1.291 51 A HN 0.679 nan 8.150 nan 0.000 0.407 52 P HA 0.105 nan 4.420 nan 0.000 0.265 52 P C 1.212 178.670 177.300 0.263 0.000 1.187 52 P CA 0.865 64.191 63.100 0.376 0.000 0.766 52 P CB 0.484 32.325 31.700 0.234 0.000 0.820 53 G N 2.143 111.059 108.800 0.194 0.000 2.476 53 G HA2 -0.297 3.693 3.960 0.051 0.000 0.218 53 G HA3 -0.297 3.693 3.960 0.051 0.000 0.218 53 G C 1.542 176.466 174.900 0.039 0.000 1.164 53 G CA 1.168 46.294 45.100 0.044 0.000 0.768 53 G HN 0.604 nan 8.290 nan 0.000 0.560 54 S N 0.041 115.767 115.700 0.045 0.000 2.481 54 S HA 0.146 4.647 4.470 0.051 0.000 0.231 54 S C 2.245 176.867 174.600 0.036 0.000 0.996 54 S CA 0.756 58.967 58.200 0.018 0.000 0.942 54 S CB -0.164 63.039 63.200 0.005 0.000 0.768 54 S HN 0.317 nan 8.310 nan 0.000 0.520 55 L N 0.095 121.357 121.223 0.065 0.000 2.127 55 L HA 0.194 4.565 4.340 0.051 0.000 0.203 55 L C 2.768 179.674 176.870 0.060 0.000 1.080 55 L CA 0.936 55.814 54.840 0.062 0.000 0.768 55 L CB -0.421 41.684 42.059 0.076 0.000 0.924 55 L HN 0.228 nan 8.230 nan 0.000 0.444 56 K N 1.371 121.819 120.400 0.081 0.000 2.057 56 K HA -0.041 4.309 4.320 0.051 0.000 0.207 56 K C 0.823 177.457 176.600 0.056 0.000 1.049 56 K CA 1.549 57.884 56.287 0.079 0.000 0.931 56 K CB -0.053 32.511 32.500 0.107 0.000 0.714 56 K HN 0.193 nan 8.250 nan 0.000 0.440 57 A N 0.510 123.356 122.820 0.043 0.000 3.308 57 A HA 0.338 4.689 4.320 0.051 0.000 0.275 57 A C -2.095 175.497 177.584 0.013 0.000 0.950 57 A CA -0.926 51.132 52.037 0.035 0.000 0.987 57 A CB 0.514 19.537 19.000 0.039 0.000 1.146 57 A HN 0.168 nan 8.150 nan 0.000 0.488 58 P HA -0.141 nan 4.420 nan 0.000 0.220 58 P C 0.152 177.447 177.300 -0.009 0.000 1.148 58 P CA 1.111 64.212 63.100 0.001 0.000 0.803 58 P CB 0.270 31.974 31.700 0.008 0.000 0.782 59 D N -0.602 119.797 120.400 -0.002 0.000 2.355 59 D HA 0.001 4.671 4.640 0.051 0.000 0.218 59 D C 0.478 176.765 176.300 -0.022 0.000 1.004 59 D CA 0.657 54.652 54.000 -0.008 0.000 0.880 59 D CB -0.420 40.382 40.800 0.003 0.000 0.911 59 D HN 0.168 nan 8.370 nan 0.000 0.528 60 T N 2.520 117.058 114.554 -0.027 0.000 2.832 60 T HA 0.325 4.705 4.350 0.051 0.000 0.296 60 T C 0.567 175.222 174.700 -0.075 0.000 0.968 60 T CA -0.446 61.622 62.100 -0.054 0.000 1.107 60 T CB 1.403 70.237 68.868 -0.057 0.000 0.916 60 T HN 0.127 nan 8.240 nan 0.000 0.517 61 R N 1.746 122.191 120.500 -0.091 0.000 2.764 61 R HA 0.620 4.990 4.340 0.051 0.000 0.270 61 R C -1.428 174.809 176.300 -0.105 0.000 1.014 61 R CA -0.967 55.075 56.100 -0.097 0.000 0.904 61 R CB 1.054 31.305 30.300 -0.082 0.000 1.236 61 R HN 0.750 nan 8.270 nan 0.000 0.466 62 N N -1.686 116.956 118.700 -0.096 0.000 3.106 62 N HA 0.100 4.871 4.740 0.051 0.000 0.253 62 N C 0.086 175.552 175.510 -0.074 0.000 1.506 62 N CA -0.534 52.472 53.050 -0.073 0.000 0.876 62 N CB 0.621 39.095 38.487 -0.022 0.000 1.452 62 N HN 0.707 nan 8.380 nan 0.000 0.542 63 E N -0.343 119.829 120.200 -0.046 0.000 2.118 63 E HA -0.266 4.114 4.350 0.051 0.000 0.195 63 E C 1.027 177.560 176.600 -0.112 0.000 0.992 63 E CA 1.468 57.835 56.400 -0.054 0.000 0.804 63 E CB 0.076 29.770 29.700 -0.009 0.000 0.741 63 E HN 0.470 nan 8.360 nan 0.000 0.458 64 K N 0.746 121.047 120.400 -0.167 0.000 2.031 64 K HA -0.076 4.275 4.320 0.051 0.000 0.205 64 K C 2.115 178.549 176.600 -0.278 0.000 1.049 64 K CA 1.183 57.274 56.287 -0.327 0.000 0.939 64 K CB -0.503 31.654 32.500 -0.572 0.000 0.717 64 K HN 0.173 nan 8.250 nan 0.000 0.438 65 L N 0.993 122.066 121.223 -0.250 0.000 2.042 65 L HA -0.244 4.126 4.340 0.051 0.000 0.210 65 L C 1.898 178.652 176.870 -0.193 0.000 1.076 65 L CA 1.381 56.049 54.840 -0.286 0.000 0.749 65 L CB -0.676 41.215 42.059 -0.281 0.000 0.893 65 L HN 0.261 nan 8.230 nan 0.000 0.432 66 N N -0.173 118.440 118.700 -0.145 0.000 2.084 66 N HA -0.176 4.595 4.740 0.051 0.000 0.190 66 N C 2.055 177.504 175.510 -0.101 0.000 1.030 66 N CA 1.776 54.763 53.050 -0.105 0.000 0.849 66 N CB -0.592 37.847 38.487 -0.080 0.000 1.012 66 N HN 0.385 nan 8.380 nan 0.000 0.423 67 S N 0.387 116.016 115.700 -0.117 0.000 2.474 67 S HA 0.015 4.516 4.470 0.051 0.000 0.235 67 S C 1.787 176.321 174.600 -0.110 0.000 0.997 67 S CA 0.436 58.572 58.200 -0.106 0.000 0.949 67 S CB -0.487 62.647 63.200 -0.111 0.000 0.766 67 S HN 0.256 nan 8.310 nan 0.000 0.517 68 L N 0.776 121.917 121.223 -0.136 0.000 2.554 68 L HA 0.183 4.554 4.340 0.051 0.000 0.226 68 L C 2.612 179.431 176.870 -0.084 0.000 1.137 68 L CA 0.558 55.326 54.840 -0.119 0.000 0.863 68 L CB -0.362 41.606 42.059 -0.153 0.000 0.985 68 L HN 0.288 nan 8.230 nan 0.000 0.451 69 E N 1.185 121.339 120.200 -0.077 0.000 2.160 69 E HA -0.262 4.119 4.350 0.051 0.000 0.195 69 E C 1.610 178.188 176.600 -0.037 0.000 0.991 69 E CA 1.598 57.966 56.400 -0.053 0.000 0.810 69 E CB -0.036 29.636 29.700 -0.047 0.000 0.742 69 E HN 0.580 nan 8.360 nan 0.000 0.466 70 D N -0.603 119.774 120.400 -0.039 0.000 2.309 70 D HA -0.136 4.535 4.640 0.051 0.000 0.212 70 D C 1.565 177.850 176.300 -0.025 0.000 0.968 70 D CA 1.315 55.297 54.000 -0.029 0.000 0.882 70 D CB -0.302 40.480 40.800 -0.030 0.000 0.918 70 D HN 0.293 nan 8.370 nan 0.000 0.503 71 V N -3.844 116.054 119.914 -0.027 0.000 3.528 71 V HA 0.340 4.491 4.120 0.051 0.000 0.294 71 V C 0.728 176.816 176.094 -0.010 0.000 1.404 71 V CA -0.728 61.562 62.300 -0.017 0.000 1.065 71 V CB -0.536 31.277 31.823 -0.015 0.000 0.904 71 V HN -0.157 nan 8.190 nan 0.000 0.435 72 R N 1.986 122.479 120.500 -0.013 0.000 2.438 72 R HA 0.484 4.855 4.340 0.051 0.000 0.287 72 R C -0.407 175.896 176.300 0.005 0.000 1.077 72 R CA 0.067 56.168 56.100 0.001 0.000 1.034 72 R CB 0.762 31.061 30.300 -0.001 0.000 0.993 72 R HN 0.406 nan 8.270 nan 0.000 0.459 73 K N 1.175 121.584 120.400 0.015 0.000 2.376 73 K HA 0.292 4.643 4.320 0.051 0.000 0.257 73 K C 0.125 176.748 176.600 0.038 0.000 0.939 73 K CA -0.478 55.807 56.287 -0.002 0.000 0.809 73 K CB 2.355 34.841 32.500 -0.023 0.000 1.121 73 K HN 0.721 nan 8.250 nan 0.000 0.425 74 G N 0.312 109.158 108.800 0.076 0.000 2.582 74 G HA2 0.235 4.226 3.960 0.051 0.000 0.232 74 G HA3 0.235 4.226 3.960 0.051 0.000 0.232 74 G C 0.580 175.608 174.900 0.213 0.000 1.458 74 G CA 0.354 45.556 45.100 0.170 0.000 1.062 74 G HN 0.650 nan 8.290 nan 0.000 0.566 75 S N -2.856 113.050 115.700 0.343 0.000 2.707 75 S HA 0.095 4.596 4.470 0.051 0.000 0.224 75 S C 0.213 174.965 174.600 0.254 0.000 0.931 75 S CA -0.093 58.296 58.200 0.316 0.000 1.243 75 S CB -0.056 63.237 63.200 0.155 0.000 0.949 75 S HN 0.474 nan 8.310 nan 0.000 0.384 76 E N 2.869 123.130 120.200 0.100 0.000 2.415 76 E HA 0.263 4.644 4.350 0.051 0.000 0.263 76 E C -0.241 176.240 176.600 -0.198 0.000 0.995 76 E CA 0.296 56.684 56.400 -0.020 0.000 0.915 76 E CB 0.093 29.779 29.700 -0.023 0.000 0.951 76 E HN 0.418 nan 8.360 nan 0.000 0.449 77 N N 1.018 119.631 118.700 -0.146 0.000 2.909 77 N HA -0.209 4.562 4.740 0.051 0.000 0.242 77 N C -1.109 174.249 175.510 -0.253 0.000 0.975 77 N CA 1.064 53.987 53.050 -0.211 0.000 0.921 77 N CB -1.354 36.975 38.487 -0.262 0.000 1.112 77 N HN 0.373 nan 8.380 nan 0.000 0.581 78 Y N 0.799 121.106 120.300 0.011 0.000 2.352 78 Y HA 0.627 5.208 4.550 0.052 0.000 0.326 78 Y C 1.022 176.926 175.900 0.006 0.000 1.166 78 Y CA -0.601 57.504 58.100 0.009 0.000 1.182 78 Y CB 0.915 39.380 38.460 0.010 0.000 1.216 78 Y HN 0.123 nan 8.280 nan 0.000 0.474 79 A N 2.730 125.666 122.820 0.193 0.000 2.425 79 A HA 0.370 4.721 4.320 0.051 0.000 0.249 79 A C -0.607 177.028 177.584 0.084 0.000 1.084 79 A CA -0.542 51.558 52.037 0.104 0.000 0.781 79 A CB 0.023 19.069 19.000 0.076 0.000 1.019 79 A HN 0.728 nan 8.150 nan 0.000 0.490 80 L N 3.231 124.485 121.223 0.051 0.000 2.477 80 L HA 0.444 4.815 4.340 0.051 0.000 0.272 80 L C 0.725 177.605 176.870 0.017 0.000 1.157 80 L CA 1.223 56.080 54.840 0.028 0.000 0.889 80 L CB 0.111 42.178 42.059 0.013 0.000 1.158 80 L HN 0.901 nan 8.230 nan 0.000 0.473 81 T N 0.469 115.028 114.554 0.008 0.000 2.888 81 T HA 0.677 5.058 4.350 0.051 0.000 0.288 81 T C 0.265 174.968 174.700 0.006 0.000 1.063 81 T CA -0.182 61.924 62.100 0.010 0.000 1.010 81 T CB 1.044 69.919 68.868 0.012 0.000 1.214 81 T HN 0.767 nan 8.240 nan 0.000 0.533 82 T N 0.275 114.848 114.554 0.031 0.000 2.701 82 T HA 0.205 4.586 4.350 0.051 0.000 0.303 82 T C 1.020 175.739 174.700 0.031 0.000 1.030 82 T CA -0.494 61.633 62.100 0.046 0.000 1.010 82 T CB -0.104 68.838 68.868 0.122 0.000 1.007 82 T HN 0.566 nan 8.240 nan 0.000 0.532 83 N N 0.429 119.150 118.700 0.035 0.000 2.512 83 N HA -0.050 4.720 4.740 0.051 0.000 0.183 83 N C 1.493 177.023 175.510 0.033 0.000 1.073 83 N CA 0.460 53.523 53.050 0.022 0.000 0.911 83 N CB -0.144 38.365 38.487 0.036 0.000 0.964 83 N HN 0.533 nan 8.380 nan 0.000 0.447 84 Q N -0.572 119.260 119.800 0.053 0.000 2.360 84 Q HA 0.198 4.569 4.340 0.051 0.000 0.202 84 Q C 0.827 176.848 176.000 0.035 0.000 0.915 84 Q CA 0.121 55.950 55.803 0.044 0.000 0.943 84 Q CB 0.394 29.165 28.738 0.056 0.000 1.064 84 Q HN 0.389 nan 8.270 nan 0.000 0.511 85 G N 0.416 109.235 108.800 0.032 0.000 2.141 85 G HA2 -0.235 3.756 3.960 0.051 0.000 0.242 85 G HA3 -0.235 3.756 3.960 0.051 0.000 0.242 85 G C 0.077 175.000 174.900 0.039 0.000 0.982 85 G CA 0.169 45.281 45.100 0.020 0.000 0.662 85 G HN 0.217 nan 8.290 nan 0.000 0.527 86 V N 1.653 121.608 119.914 0.067 0.000 2.432 86 V HA 0.356 4.507 4.120 0.051 0.000 0.271 86 V C 1.325 177.459 176.094 0.068 0.000 1.046 86 V CA -0.584 61.768 62.300 0.087 0.000 0.945 86 V CB 1.083 33.003 31.823 0.163 0.000 0.992 86 V HN 0.408 nan 8.190 nan 0.000 0.471 87 R N 4.303 124.835 120.500 0.053 0.000 2.570 87 R HA 0.315 4.686 4.340 0.051 0.000 0.277 87 R C -0.470 175.844 176.300 0.025 0.000 1.039 87 R CA 0.038 56.160 56.100 0.036 0.000 1.065 87 R CB 0.439 30.760 30.300 0.035 0.000 0.964 87 R HN 0.578 nan 8.270 nan 0.000 0.428 88 I N 1.940 122.512 120.570 0.004 0.000 2.385 88 I HA 0.131 4.332 4.170 0.051 0.000 0.294 88 I C 0.933 177.039 176.117 -0.017 0.000 0.988 88 I CA 0.032 61.317 61.300 -0.024 0.000 1.265 88 I CB 1.911 39.886 38.000 -0.041 0.000 1.388 88 I HN 0.766 nan 8.210 nan 0.000 0.480 89 A N 3.849 126.654 122.820 -0.024 0.000 1.924 89 A HA 0.033 4.384 4.320 0.051 0.000 0.211 89 A C 0.622 178.191 177.584 -0.025 0.000 1.198 89 A CA 0.815 52.842 52.037 -0.017 0.000 0.657 89 A CB 0.076 19.069 19.000 -0.012 0.000 0.852 89 A HN 0.674 nan 8.150 nan 0.000 0.454 90 D N -0.431 119.946 120.400 -0.039 0.000 2.462 90 D HA 0.354 5.025 4.640 0.051 0.000 0.245 90 D C -1.324 174.944 176.300 -0.053 0.000 1.122 90 D CA -0.345 53.630 54.000 -0.040 0.000 0.864 90 D CB 1.273 42.049 40.800 -0.040 0.000 1.098 90 D HN 0.076 nan 8.370 nan 0.000 0.541 91 D N 2.080 122.452 120.400 -0.046 0.000 2.427 91 D HA 0.056 4.726 4.640 0.051 0.000 0.224 91 D C 0.551 176.820 176.300 -0.051 0.000 1.157 91 D CA 0.198 54.167 54.000 -0.052 0.000 0.828 91 D CB 0.493 41.267 40.800 -0.042 0.000 0.974 91 D HN 0.205 nan 8.370 nan 0.000 0.498 92 Q N -0.552 119.219 119.800 -0.048 0.000 2.246 92 Q HA 0.283 4.654 4.340 0.051 0.000 0.222 92 Q C -0.208 175.763 176.000 -0.048 0.000 0.851 92 Q CA 0.174 55.950 55.803 -0.046 0.000 0.945 92 Q CB 0.806 29.522 28.738 -0.037 0.000 1.122 92 Q HN 0.196 nan 8.270 nan 0.000 0.508 93 N N -0.071 118.598 118.700 -0.053 0.000 2.331 93 N HA 0.286 5.057 4.740 0.051 0.000 0.280 93 N C -1.025 174.450 175.510 -0.058 0.000 1.155 93 N CA -0.234 52.786 53.050 -0.050 0.000 0.822 93 N CB 2.106 40.569 38.487 -0.041 0.000 1.619 93 N HN -0.182 nan 8.380 nan 0.000 0.476 94 S N 0.744 116.412 115.700 -0.053 0.000 2.603 94 S HA 0.280 4.781 4.470 0.051 0.000 0.268 94 S C 0.181 174.754 174.600 -0.044 0.000 1.317 94 S CA -0.559 57.609 58.200 -0.053 0.000 1.012 94 S CB 0.735 63.910 63.200 -0.042 0.000 0.926 94 S HN 0.400 nan 8.310 nan 0.000 0.539 95 L N 3.427 124.623 121.223 -0.044 0.000 2.313 95 L HA 0.397 4.767 4.340 0.051 0.000 0.282 95 L C 0.143 177.004 176.870 -0.015 0.000 1.092 95 L CA 0.368 55.191 54.840 -0.028 0.000 0.831 95 L CB -0.159 41.886 42.059 -0.024 0.000 1.159 95 L HN 0.724 nan 8.230 nan 0.000 0.442 96 R N 4.189 124.683 120.500 -0.011 0.000 2.855 96 R HA 0.877 5.248 4.340 0.051 0.000 0.266 96 R C -1.120 175.179 176.300 -0.002 0.000 1.034 96 R CA -0.864 55.232 56.100 -0.006 0.000 0.944 96 R CB 1.141 31.436 30.300 -0.010 0.000 1.219 96 R HN 0.558 nan 8.270 nan 0.000 0.474 97 A N 1.243 124.064 122.820 0.000 0.000 2.650 97 A HA 0.585 4.935 4.320 0.051 0.000 0.320 97 A C 0.612 178.196 177.584 -0.000 0.000 1.466 97 A CA 0.253 52.292 52.037 0.002 0.000 1.099 97 A CB -0.894 18.109 19.000 0.004 0.000 1.136 97 A HN 1.223 nan 8.150 nan 0.000 0.532 98 G N 1.114 109.913 108.800 -0.001 0.000 2.758 98 G HA2 -0.008 3.983 3.960 0.051 0.000 0.686 98 G HA3 -0.008 3.983 3.960 0.051 0.000 0.686 98 G C 0.738 175.635 174.900 -0.006 0.000 1.389 98 G CA 0.158 45.256 45.100 -0.003 0.000 0.845 98 G HN 1.849 nan 8.290 nan 0.000 0.572 99 S N -0.651 115.045 115.700 -0.007 0.000 2.522 99 S HA 0.059 4.559 4.470 0.051 0.000 0.227 99 S C 1.505 176.100 174.600 -0.010 0.000 0.986 99 S CA 1.282 59.477 58.200 -0.009 0.000 0.929 99 S CB 0.120 63.314 63.200 -0.010 0.000 0.769 99 S HN 0.735 nan 8.310 nan 0.000 0.529 100 R N 0.859 121.355 120.500 -0.008 0.000 2.613 100 R HA 0.351 4.721 4.340 0.051 0.000 0.361 100 R C 0.808 177.104 176.300 -0.007 0.000 1.072 100 R CA -0.005 56.090 56.100 -0.008 0.000 1.089 100 R CB 0.831 31.127 30.300 -0.007 0.000 1.343 100 R HN 0.443 nan 8.270 nan 0.000 0.571 101 G N 1.513 110.309 108.800 -0.006 0.000 2.613 101 G HA2 0.409 4.400 3.960 0.051 0.000 0.303 101 G HA3 0.409 4.400 3.960 0.051 0.000 0.303 101 G C -2.440 172.457 174.900 -0.004 0.000 1.312 101 G CA -1.150 43.948 45.100 -0.004 0.000 1.036 101 G HN -0.106 nan 8.290 nan 0.000 0.513 102 P HA 0.223 nan 4.420 nan 0.000 0.274 102 P C -0.226 177.073 177.300 -0.001 0.000 1.231 102 P CA -0.055 63.044 63.100 -0.001 0.000 0.790 102 P CB 0.887 32.588 31.700 0.002 0.000 0.951 103 T N 2.651 117.204 114.554 -0.003 0.000 2.901 103 T HA 0.268 4.649 4.350 0.051 0.000 0.301 103 T C 0.493 175.196 174.700 0.005 0.000 1.012 103 T CA -0.101 61.997 62.100 -0.003 0.000 1.135 103 T CB -0.006 68.858 68.868 -0.007 0.000 0.936 103 T HN 0.189 nan 8.240 nan 0.000 0.539 104 L N 3.455 124.683 121.223 0.008 0.000 2.343 104 L HA 0.340 4.711 4.340 0.051 0.000 0.275 104 L C 1.359 178.247 176.870 0.029 0.000 1.056 104 L CA -0.822 54.029 54.840 0.019 0.000 0.804 104 L CB 0.931 43.004 42.059 0.023 0.000 1.203 104 L HN 0.496 nan 8.230 nan 0.000 0.440 105 L N 2.042 123.286 121.223 0.034 0.000 2.191 105 L HA -0.171 4.199 4.340 0.051 0.000 0.212 105 L C 2.288 179.198 176.870 0.067 0.000 1.103 105 L CA 1.600 56.466 54.840 0.044 0.000 0.769 105 L CB -0.613 41.469 42.059 0.039 0.000 0.908 105 L HN 0.796 nan 8.230 nan 0.000 0.438 106 E N -1.442 118.801 120.200 0.073 0.000 2.516 106 E HA -0.183 4.198 4.350 0.051 0.000 0.199 106 E C 0.159 176.865 176.600 0.176 0.000 1.069 106 E CA 0.268 56.739 56.400 0.118 0.000 0.876 106 E CB -0.517 29.244 29.700 0.102 0.000 0.843 106 E HN 0.376 nan 8.360 nan 0.000 0.530 107 D N 1.131 121.589 120.400 0.097 0.000 2.455 107 D HA -0.036 4.635 4.640 0.051 0.000 0.234 107 D C 0.447 176.769 176.300 0.037 0.000 1.224 107 D CA -0.505 53.508 54.000 0.023 0.000 0.999 107 D CB -0.164 40.615 40.800 -0.034 0.000 1.072 107 D HN 0.291 nan 8.370 nan 0.000 0.514 108 F N 1.908 121.866 119.950 0.014 0.000 2.407 108 F HA 0.091 4.646 4.527 0.047 0.000 0.299 108 F C 1.612 177.424 175.800 0.021 0.000 1.097 108 F CA 0.120 58.132 58.000 0.019 0.000 1.422 108 F CB -0.678 38.334 39.000 0.018 0.000 1.067 108 F HN 0.181 nan 8.300 nan 0.000 0.539 109 I N 0.380 120.534 120.570 -0.695 0.000 2.233 109 I HA -0.192 4.008 4.170 0.051 0.000 0.243 109 I C 2.483 178.487 176.117 -0.188 0.000 1.093 109 I CA 1.015 62.028 61.300 -0.479 0.000 1.380 109 I CB -0.518 37.142 38.000 -0.566 0.000 1.067 109 I HN 0.274 nan 8.210 nan 0.000 0.413 110 L N 1.155 122.282 121.223 -0.161 0.000 1.989 110 L HA -0.212 4.159 4.340 0.051 0.000 0.211 110 L C 2.652 179.514 176.870 -0.013 0.000 1.071 110 L CA 1.911 56.706 54.840 -0.074 0.000 0.749 110 L CB -0.543 41.478 42.059 -0.064 0.000 0.890 110 L HN 0.044 nan 8.230 nan 0.000 0.431 111 R N -0.628 119.885 120.500 0.021 0.000 2.096 111 R HA -0.175 4.196 4.340 0.051 0.000 0.235 111 R C 2.322 178.679 176.300 0.096 0.000 1.127 111 R CA 1.484 57.624 56.100 0.067 0.000 0.968 111 R CB -0.385 29.969 30.300 0.090 0.000 0.861 111 R HN 0.600 nan 8.270 nan 0.000 0.440 112 E N 1.191 121.452 120.200 0.103 0.000 2.051 112 E HA -0.248 4.133 4.350 0.051 0.000 0.192 112 E C 1.920 178.597 176.600 0.128 0.000 0.991 112 E CA 1.297 57.774 56.400 0.129 0.000 0.799 112 E CB 0.088 29.871 29.700 0.138 0.000 0.748 112 E HN 0.150 nan 8.360 nan 0.000 0.449 113 K N 0.163 120.609 120.400 0.076 0.000 2.057 113 K HA -0.125 4.225 4.320 0.051 0.000 0.207 113 K C 2.077 178.751 176.600 0.123 0.000 1.049 113 K CA 1.156 57.487 56.287 0.074 0.000 0.931 113 K CB 0.028 32.530 32.500 0.003 0.000 0.714 113 K HN 0.163 nan 8.250 nan 0.000 0.440 114 I N 1.068 121.693 120.570 0.092 0.000 2.500 114 I HA -0.140 4.061 4.170 0.051 0.000 0.252 114 I C 2.017 178.242 176.117 0.179 0.000 1.142 114 I CA 1.132 62.499 61.300 0.112 0.000 1.451 114 I CB -1.220 36.808 38.000 0.046 0.000 1.093 114 I HN 0.186 nan 8.210 nan 0.000 0.430 115 T N -0.248 114.407 114.554 0.168 0.000 2.746 115 T HA -0.207 4.174 4.350 0.051 0.000 0.267 115 T C 1.960 176.800 174.700 0.233 0.000 1.039 115 T CA 1.338 63.561 62.100 0.205 0.000 1.142 115 T CB -0.382 68.613 68.868 0.212 0.000 0.866 115 T HN 0.328 nan 8.240 nan 0.000 0.444 116 H N -0.041 119.124 119.070 0.158 0.000 2.353 116 H HA -0.062 4.521 4.556 0.046 0.000 0.300 116 H C 2.184 177.569 175.328 0.094 0.000 1.090 116 H CA 1.514 57.640 56.048 0.130 0.000 1.327 116 H CB -0.425 29.394 29.762 0.095 0.000 1.383 116 H HN 0.401 nan 8.280 nan 0.000 0.508 117 F N 2.042 122.050 119.950 0.097 0.000 2.095 117 F HA -0.197 4.274 4.527 -0.094 0.000 0.298 117 F C 2.011 177.753 175.800 -0.097 0.000 1.104 117 F CA 1.748 59.753 58.000 0.009 0.000 1.232 117 F CB -0.364 38.636 39.000 0.001 0.000 0.987 117 F HN 0.048 nan 8.300 nan 0.000 0.475 118 D N -1.045 119.302 120.400 -0.088 0.000 2.311 118 D HA -0.160 4.510 4.640 0.051 0.000 0.212 118 D C 1.123 177.011 176.300 -0.687 0.000 0.972 118 D CA 1.260 55.026 54.000 -0.390 0.000 0.887 118 D CB -0.341 40.222 40.800 -0.395 0.000 0.915 118 D HN 0.492 nan 8.370 nan 0.000 0.497 119 H N -0.684 118.268 119.070 -0.196 0.000 2.510 119 H HA 0.225 4.869 4.556 0.147 0.000 0.266 119 H C 0.928 176.091 175.328 -0.275 0.000 1.146 119 H CA -0.136 55.792 56.048 -0.199 0.000 0.993 119 H CB 0.472 30.135 29.762 -0.165 0.000 1.727 119 H HN 0.249 nan 8.280 nan 0.000 0.590 120 E N 0.644 120.666 120.200 -0.296 0.000 2.204 120 E HA -0.037 4.343 4.350 0.051 0.000 0.194 120 E C 0.474 176.902 176.600 -0.287 0.000 0.989 120 E CA 0.566 56.762 56.400 -0.339 0.000 0.824 120 E CB 0.473 29.944 29.700 -0.383 0.000 0.756 120 E HN 0.145 nan 8.360 nan 0.000 0.477 121 R N 1.211 121.607 120.500 -0.173 0.000 2.404 121 R HA 0.358 4.729 4.340 0.051 0.000 0.291 121 R C 0.374 176.705 176.300 0.050 0.000 1.025 121 R CA -0.298 55.775 56.100 -0.046 0.000 0.991 121 R CB 0.837 31.104 30.300 -0.056 0.000 1.053 121 R HN 0.154 nan 8.270 nan 0.000 0.479 122 I N -0.807 119.860 120.570 0.160 0.000 2.910 122 I HA 0.593 4.793 4.170 0.051 0.000 0.310 122 I C -2.177 174.000 176.117 0.100 0.000 1.043 122 I CA -2.937 58.447 61.300 0.140 0.000 1.053 122 I CB 1.646 39.762 38.000 0.195 0.000 1.242 122 I HN 0.237 nan 8.210 nan 0.000 0.452 123 P HA 0.073 nan 4.420 nan 0.000 0.265 123 P C -0.898 176.433 177.300 0.052 0.000 1.193 123 P CA -0.022 63.104 63.100 0.044 0.000 0.765 123 P CB 0.405 32.119 31.700 0.024 0.000 0.823 124 E N 2.695 122.928 120.200 0.056 0.000 2.371 124 E HA 0.212 4.593 4.350 0.051 0.000 0.257 124 E C -0.447 176.183 176.600 0.050 0.000 1.134 124 E CA -0.872 55.568 56.400 0.066 0.000 0.919 124 E CB 0.644 30.389 29.700 0.075 0.000 1.025 124 E HN 0.250 nan 8.360 nan 0.000 0.438 125 R N 0.799 121.336 120.500 0.061 0.000 2.640 125 R HA -0.014 4.356 4.340 0.051 0.000 0.270 125 R C 1.334 177.673 176.300 0.066 0.000 1.024 125 R CA -0.389 55.745 56.100 0.058 0.000 1.085 125 R CB 0.259 30.614 30.300 0.093 0.000 0.963 125 R HN 0.577 nan 8.270 nan 0.000 0.426 126 I N 1.904 122.507 120.570 0.055 0.000 2.194 126 I HA -0.162 4.038 4.170 0.051 0.000 0.246 126 I C 1.214 177.387 176.117 0.094 0.000 1.093 126 I CA 1.608 62.949 61.300 0.068 0.000 1.355 126 I CB -1.088 36.957 38.000 0.075 0.000 1.046 126 I HN 0.393 nan 8.210 nan 0.000 0.413 127 V N -3.475 116.531 119.914 0.153 0.000 3.078 127 V HA 0.515 4.666 4.120 0.051 0.000 0.311 127 V C 0.312 176.579 176.094 0.288 0.000 1.138 127 V CA -0.872 61.542 62.300 0.190 0.000 1.007 127 V CB 1.851 33.860 31.823 0.311 0.000 1.045 127 V HN 0.436 nan 8.190 nan 0.000 0.432 128 H N 0.346 119.488 119.070 0.120 0.000 2.903 128 H HA -0.211 4.375 4.556 0.050 0.000 0.285 128 H C 1.493 176.877 175.328 0.094 0.000 1.231 128 H CA 0.758 56.871 56.048 0.108 0.000 1.135 128 H CB -1.275 28.541 29.762 0.091 0.000 1.328 128 H HN 1.173 nan 8.280 nan 0.000 0.388 129 A N 0.753 123.668 122.820 0.159 0.000 2.015 129 A HA -0.081 4.270 4.320 0.051 0.000 0.219 129 A C 1.653 179.334 177.584 0.162 0.000 1.163 129 A CA 1.266 53.386 52.037 0.139 0.000 0.646 129 A CB -0.047 19.011 19.000 0.098 0.000 0.806 129 A HN 0.274 nan 8.150 nan 0.000 0.448 130 R N -0.012 120.585 120.500 0.161 0.000 2.207 130 R HA 0.530 4.901 4.340 0.051 0.000 0.334 130 R C -0.136 176.299 176.300 0.225 0.000 1.013 130 R CA 0.704 56.917 56.100 0.189 0.000 0.858 130 R CB 0.484 30.879 30.300 0.159 0.000 1.094 130 R HN 0.317 nan 8.270 nan 0.000 0.457 131 G N 0.804 109.764 108.800 0.266 0.000 2.646 131 G HA2 0.513 4.503 3.960 0.051 0.000 0.291 131 G HA3 0.513 4.503 3.960 0.051 0.000 0.291 131 G C -1.656 173.405 174.900 0.269 0.000 1.445 131 G CA -0.641 44.584 45.100 0.209 0.000 0.814 131 G HN 0.507 nan 8.290 nan 0.000 0.495 132 S N -1.123 114.677 115.700 0.167 0.000 2.547 132 S HA 0.885 5.386 4.470 0.051 0.000 0.281 132 S C -0.248 174.359 174.600 0.011 0.000 1.118 132 S CA -0.162 58.189 58.200 0.252 0.000 0.947 132 S CB 1.777 65.242 63.200 0.441 0.000 1.053 132 S HN 1.657 nan 8.310 nan 0.000 0.482 133 A N 1.428 124.215 122.820 -0.055 0.000 2.454 133 A HA 1.020 5.371 4.320 0.051 0.000 0.302 133 A C -0.904 176.470 177.584 -0.349 0.000 1.079 133 A CA -0.767 51.010 52.037 -0.433 0.000 0.731 133 A CB 1.626 20.253 19.000 -0.622 0.000 1.299 133 A HN 1.381 nan 8.150 nan 0.000 0.413 134 A N 0.823 123.292 122.820 -0.586 0.000 2.594 134 A HA 0.710 5.061 4.320 0.051 0.000 0.295 134 A C -0.862 176.531 177.584 -0.319 0.000 1.071 134 A CA -0.673 51.186 52.037 -0.296 0.000 0.685 134 A CB 0.695 19.610 19.000 -0.141 0.000 1.285 134 A HN 0.887 nan 8.150 nan 0.000 0.405 135 H N -0.164 118.957 119.070 0.085 0.000 2.607 135 H HA 0.611 5.197 4.556 0.050 0.000 0.367 135 H C 0.765 176.103 175.328 0.018 0.000 1.181 135 H CA 1.254 57.396 56.048 0.156 0.000 1.402 135 H CB 1.568 31.404 29.762 0.124 0.000 1.474 135 H HN 1.148 nan 8.280 nan 0.000 0.596 136 G N 0.226 109.132 108.800 0.177 0.000 2.435 136 G HA2 0.351 4.342 3.960 0.051 0.000 0.296 136 G HA3 0.351 4.342 3.960 0.051 0.000 0.296 136 G C -2.039 173.004 174.900 0.238 0.000 1.240 136 G CA -0.557 44.616 45.100 0.121 0.000 0.872 136 G HN 0.648 nan 8.290 nan 0.000 0.480 137 Y N -1.811 118.530 120.300 0.069 0.000 2.625 137 Y HA 0.850 5.431 4.550 0.051 0.000 0.338 137 Y C -1.696 174.347 175.900 0.239 0.000 1.123 137 Y CA -1.923 56.264 58.100 0.145 0.000 1.046 137 Y CB 1.922 40.438 38.460 0.092 0.000 1.299 137 Y HN 0.900 nan 8.280 nan 0.000 0.464 138 F N 1.748 121.831 119.950 0.223 0.000 2.576 138 F HA 0.693 5.251 4.527 0.051 0.000 0.313 138 F C -1.387 174.601 175.800 0.313 0.000 1.078 138 F CA -0.573 57.563 58.000 0.227 0.000 0.921 138 F CB 2.436 41.715 39.000 0.466 0.000 1.232 138 F HN 0.801 nan 8.300 nan 0.000 0.459 139 Q N 6.370 125.638 119.800 -0.886 0.000 2.309 139 Q HA 0.477 4.848 4.340 0.051 0.000 0.273 139 Q C -2.960 172.413 176.000 -1.044 0.000 1.040 139 Q CA -2.350 53.085 55.803 -0.614 0.000 0.834 139 Q CB 3.241 31.891 28.738 -0.148 0.000 1.345 139 Q HN 0.360 nan 8.270 nan 0.000 0.414 140 P HA 0.071 nan 4.420 nan 0.000 0.281 140 P C -0.417 176.748 177.300 -0.226 0.000 1.249 140 P CA 0.036 62.900 63.100 -0.394 0.000 0.810 140 P CB 0.652 32.297 31.700 -0.093 0.000 1.008 141 Y N 0.961 121.203 120.300 -0.097 0.000 2.314 141 Y HA -0.090 4.490 4.550 0.051 0.000 0.293 141 Y C 1.529 177.404 175.900 -0.042 0.000 1.129 141 Y CA 0.599 58.663 58.100 -0.060 0.000 1.201 141 Y CB 0.193 38.624 38.460 -0.048 0.000 0.999 141 Y HN 0.374 nan 8.280 nan 0.000 0.541 142 K N -1.114 119.350 120.400 0.106 0.000 2.548 142 K HA 0.369 4.720 4.320 0.051 0.000 0.282 142 K C -0.910 175.696 176.600 0.009 0.000 1.006 142 K CA -0.944 55.372 56.287 0.049 0.000 0.892 142 K CB 1.497 34.027 32.500 0.049 0.000 1.499 142 K HN -0.252 nan 8.250 nan 0.000 0.433 143 S N 0.866 116.568 115.700 0.004 0.000 2.537 143 S HA 0.111 4.612 4.470 0.051 0.000 0.286 143 S C 0.443 175.032 174.600 -0.019 0.000 1.299 143 S CA -0.559 57.634 58.200 -0.012 0.000 1.067 143 S CB -0.260 62.936 63.200 -0.006 0.000 0.864 143 S HN 0.535 nan 8.310 nan 0.000 0.494 144 L N 4.986 126.187 121.223 -0.038 0.000 2.848 144 L HA 0.136 4.507 4.340 0.051 0.000 0.240 144 L C 2.030 178.881 176.870 -0.032 0.000 1.232 144 L CA -0.045 54.779 54.840 -0.027 0.000 1.031 144 L CB -0.319 41.727 42.059 -0.023 0.000 1.338 144 L HN 0.855 nan 8.230 nan 0.000 0.509 145 S N -1.729 113.952 115.700 -0.032 0.000 2.442 145 S HA -0.185 4.316 4.470 0.051 0.000 0.236 145 S C 1.283 175.864 174.600 -0.031 0.000 1.007 145 S CA 1.059 59.238 58.200 -0.035 0.000 0.965 145 S CB -0.141 63.044 63.200 -0.025 0.000 0.773 145 S HN 0.404 nan 8.310 nan 0.000 0.504 146 D N 2.053 122.439 120.400 -0.022 0.000 2.218 146 D HA -0.017 4.654 4.640 0.051 0.000 0.204 146 D C 1.819 178.101 176.300 -0.030 0.000 0.976 146 D CA 1.482 55.469 54.000 -0.022 0.000 0.853 146 D CB -0.208 40.585 40.800 -0.012 0.000 0.939 146 D HN 0.816 nan 8.370 nan 0.000 0.481 147 I N -4.256 116.297 120.570 -0.030 0.000 4.312 147 I HA 0.214 4.415 4.170 0.051 0.000 0.324 147 I C 0.463 176.536 176.117 -0.072 0.000 1.298 147 I CA -0.006 61.268 61.300 -0.043 0.000 1.231 147 I CB 1.151 39.145 38.000 -0.010 0.000 1.152 147 I HN -0.252 nan 8.210 nan 0.000 0.421 148 T N 1.732 116.245 114.554 -0.068 0.000 2.956 148 T HA 0.317 4.697 4.350 0.051 0.000 0.312 148 T C -0.039 174.605 174.700 -0.093 0.000 1.151 148 T CA -0.708 61.331 62.100 -0.100 0.000 1.024 148 T CB 1.812 70.609 68.868 -0.119 0.000 1.140 148 T HN 0.425 nan 8.240 nan 0.000 0.473 149 K N 2.573 122.917 120.400 -0.094 0.000 2.476 149 K HA 0.557 4.908 4.320 0.051 0.000 0.196 149 K C 0.664 177.223 176.600 -0.068 0.000 1.025 149 K CA -0.354 55.890 56.287 -0.072 0.000 1.138 149 K CB 0.186 32.649 32.500 -0.061 0.000 0.860 149 K HN 0.480 nan 8.250 nan 0.000 0.515 150 A N 1.948 124.703 122.820 -0.108 0.000 2.522 150 A HA -0.033 4.318 4.320 0.051 0.000 0.256 150 A C 0.522 178.064 177.584 -0.070 0.000 1.086 150 A CA -0.024 51.958 52.037 -0.092 0.000 0.763 150 A CB 0.162 19.034 19.000 -0.213 0.000 1.024 150 A HN 0.478 nan 8.150 nan 0.000 0.502 151 D N 2.176 122.605 120.400 0.048 0.000 2.144 151 D HA -0.226 4.445 4.640 0.051 0.000 0.199 151 D C 1.378 177.744 176.300 0.111 0.000 0.984 151 D CA 2.193 56.238 54.000 0.074 0.000 0.834 151 D CB -0.250 40.619 40.800 0.115 0.000 0.955 151 D HN 0.733 nan 8.370 nan 0.000 0.465 152 F N -0.574 119.393 119.950 0.028 0.000 2.494 152 F HA 0.102 4.660 4.527 0.052 0.000 0.298 152 F C 1.047 176.927 175.800 0.134 0.000 1.106 152 F CA 0.506 58.559 58.000 0.090 0.000 1.452 152 F CB -0.224 38.819 39.000 0.072 0.000 1.085 152 F HN -0.044 nan 8.300 nan 0.000 0.569 153 L N 0.764 121.728 121.223 -0.432 0.000 2.910 153 L HA 0.202 4.573 4.340 0.051 0.000 0.252 153 L C 1.733 178.515 176.870 -0.146 0.000 1.195 153 L CA 0.324 54.946 54.840 -0.363 0.000 1.003 153 L CB 0.023 41.742 42.059 -0.568 0.000 1.328 153 L HN 0.313 nan 8.230 nan 0.000 0.540 154 S N -2.548 113.111 115.700 -0.069 0.000 2.548 154 S HA 0.078 4.579 4.470 0.051 0.000 0.215 154 S C 0.306 174.904 174.600 -0.004 0.000 0.976 154 S CA -0.178 58.002 58.200 -0.032 0.000 0.908 154 S CB 0.203 63.396 63.200 -0.011 0.000 0.781 154 S HN 0.337 nan 8.310 nan 0.000 0.519 155 D N 0.731 121.138 120.400 0.011 0.000 2.804 155 D HA 0.277 4.947 4.640 0.051 0.000 0.209 155 D C -2.544 173.773 176.300 0.029 0.000 1.314 155 D CA -1.616 52.398 54.000 0.024 0.000 0.894 155 D CB 2.063 42.884 40.800 0.036 0.000 1.615 155 D HN -0.140 nan 8.370 nan 0.000 0.571 156 P HA -0.080 nan 4.420 nan 0.000 0.225 156 P C 0.482 177.801 177.300 0.031 0.000 1.148 156 P CA 0.608 63.722 63.100 0.023 0.000 0.779 156 P CB 0.490 32.212 31.700 0.036 0.000 0.780 157 N N -0.284 118.438 118.700 0.037 0.000 2.422 157 N HA -0.012 4.758 4.740 0.051 0.000 0.181 157 N C 0.787 176.331 175.510 0.057 0.000 1.080 157 N CA 0.421 53.495 53.050 0.041 0.000 0.893 157 N CB -0.134 38.374 38.487 0.034 0.000 0.973 157 N HN 0.269 nan 8.380 nan 0.000 0.456 158 K N 1.583 122.027 120.400 0.074 0.000 2.338 158 K HA 0.139 4.490 4.320 0.051 0.000 0.290 158 K C -0.366 176.329 176.600 0.157 0.000 1.069 158 K CA -0.326 56.028 56.287 0.113 0.000 0.941 158 K CB 0.293 32.872 32.500 0.131 0.000 1.023 158 K HN 0.064 nan 8.250 nan 0.000 0.477 159 I N 1.727 122.392 120.570 0.157 0.000 2.359 159 I HA 0.276 4.477 4.170 0.051 0.000 0.294 159 I C -0.802 175.482 176.117 0.279 0.000 0.987 159 I CA 0.217 61.645 61.300 0.213 0.000 1.225 159 I CB 2.058 40.142 38.000 0.140 0.000 1.366 159 I HN 0.308 nan 8.210 nan 0.000 0.466 160 T N 8.117 122.922 114.554 0.418 0.000 2.791 160 T HA 0.496 4.877 4.350 0.051 0.000 0.288 160 T C -2.572 172.390 174.700 0.437 0.000 0.999 160 T CA -1.073 61.297 62.100 0.450 0.000 0.952 160 T CB 1.289 70.526 68.868 0.614 0.000 0.938 160 T HN 0.462 nan 8.240 nan 0.000 0.444 161 P HA 0.288 nan 4.420 nan 0.000 0.271 161 P C -0.655 176.885 177.300 0.400 0.000 1.218 161 P CA -0.445 62.852 63.100 0.330 0.000 0.780 161 P CB 0.581 32.404 31.700 0.205 0.000 0.901 162 V N -0.399 119.694 119.914 0.299 0.000 3.040 162 V HA 0.724 4.875 4.120 0.051 0.000 0.312 162 V C -1.260 174.993 176.094 0.266 0.000 1.115 162 V CA -0.942 61.442 62.300 0.140 0.000 0.998 162 V CB 2.221 33.913 31.823 -0.219 0.000 1.042 162 V HN 0.314 nan 8.190 nan 0.000 0.433 163 F N 1.885 121.822 119.950 -0.021 0.000 2.539 163 F HA 0.848 5.405 4.527 0.051 0.000 0.318 163 F C -0.889 174.809 175.800 -0.170 0.000 1.135 163 F CA -0.850 57.078 58.000 -0.120 0.000 0.915 163 F CB 1.986 40.954 39.000 -0.053 0.000 1.176 163 F HN 0.504 nan 8.300 nan 0.000 0.440 164 V N 6.745 126.145 119.914 -0.856 0.000 2.531 164 V HA 0.543 4.694 4.120 0.051 0.000 0.301 164 V C -0.699 174.702 176.094 -1.154 0.000 1.034 164 V CA -0.813 60.935 62.300 -0.919 0.000 0.865 164 V CB 1.978 33.193 31.823 -1.013 0.000 0.995 164 V HN 0.730 nan 8.190 nan 0.000 0.424 165 R N 3.828 123.649 120.500 -1.131 0.000 2.393 165 R HA 0.628 4.999 4.340 0.051 0.000 0.315 165 R C -1.501 174.188 176.300 -1.018 0.000 0.952 165 R CA -0.410 55.133 56.100 -0.929 0.000 0.842 165 R CB 1.073 30.996 30.300 -0.628 0.000 1.163 165 R HN 0.545 nan 8.270 nan 0.000 0.450 166 F N 1.839 121.361 119.950 -0.713 0.000 2.399 166 F HA 0.496 5.053 4.527 0.051 0.000 0.328 166 F C 0.542 176.003 175.800 -0.564 0.000 1.084 166 F CA -0.159 57.320 58.000 -0.867 0.000 1.053 166 F CB 2.066 40.054 39.000 -1.687 0.000 1.209 166 F HN 0.588 nan 8.300 nan 0.000 0.502 167 S N -1.141 114.508 115.700 -0.086 0.000 2.615 167 S HA 0.628 5.129 4.470 0.051 0.000 0.269 167 S C -0.573 174.183 174.600 0.259 0.000 1.161 167 S CA -0.888 57.397 58.200 0.141 0.000 0.817 167 S CB 1.327 64.650 63.200 0.204 0.000 1.131 167 S HN 0.717 nan 8.310 nan 0.000 0.467 168 T N -1.540 113.161 114.554 0.245 0.000 2.865 168 T HA 0.681 5.062 4.350 0.051 0.000 0.302 168 T C 0.782 175.462 174.700 -0.032 0.000 1.078 168 T CA -0.076 62.124 62.100 0.167 0.000 0.942 168 T CB 0.286 69.253 68.868 0.166 0.000 1.387 168 T HN 0.637 nan 8.240 nan 0.000 0.557 169 V N -0.211 119.636 119.914 -0.111 0.000 3.058 169 V HA 0.133 4.284 4.120 0.051 0.000 0.233 169 V C 2.706 178.731 176.094 -0.116 0.000 1.255 169 V CA 0.304 62.407 62.300 -0.328 0.000 1.267 169 V CB -0.180 31.528 31.823 -0.190 0.000 1.049 169 V HN 0.868 nan 8.190 nan 0.000 0.486 170 Q N 1.085 120.854 119.800 -0.052 0.000 2.062 170 Q HA 0.069 4.440 4.340 0.051 0.000 0.196 170 Q C 1.248 177.227 176.000 -0.034 0.000 0.967 170 Q CA 1.446 57.214 55.803 -0.057 0.000 0.832 170 Q CB -0.106 28.584 28.738 -0.080 0.000 0.899 170 Q HN 0.585 nan 8.270 nan 0.000 0.442 171 G N -0.295 108.500 108.800 -0.009 0.000 2.562 171 G HA2 0.436 4.427 3.960 0.051 0.000 0.275 171 G HA3 0.436 4.427 3.960 0.051 0.000 0.275 171 G C 0.015 174.925 174.900 0.017 0.000 1.196 171 G CA 0.019 45.117 45.100 -0.003 0.000 0.908 171 G HN 0.330 nan 8.290 nan 0.000 0.524 172 G N -1.342 107.464 108.800 0.009 0.000 2.651 172 G HA2 0.477 4.468 3.960 0.051 0.000 0.260 172 G HA3 0.477 4.468 3.960 0.051 0.000 0.260 172 G C 1.301 176.234 174.900 0.054 0.000 1.216 172 G CA 0.443 45.559 45.100 0.026 0.000 0.913 172 G HN 1.057 nan 8.290 nan 0.000 0.535 173 A N -0.569 122.294 122.820 0.072 0.000 2.070 173 A HA 0.125 4.476 4.320 0.051 0.000 0.220 173 A C 2.138 179.765 177.584 0.072 0.000 1.159 173 A CA 1.921 54.021 52.037 0.106 0.000 0.656 173 A CB -0.316 18.764 19.000 0.133 0.000 0.800 173 A HN 1.145 nan 8.150 nan 0.000 0.453 174 G N -0.145 108.677 108.800 0.037 0.000 3.523 174 G HA2 0.365 4.355 3.960 0.051 0.000 0.270 174 G HA3 0.365 4.355 3.960 0.051 0.000 0.270 174 G C 0.569 175.471 174.900 0.004 0.000 1.134 174 G CA 0.627 45.732 45.100 0.009 0.000 0.825 174 G HN 0.637 nan 8.290 nan 0.000 0.534 175 S N -0.340 115.371 115.700 0.020 0.000 2.686 175 S HA 0.772 5.273 4.470 0.051 0.000 0.270 175 S C 0.414 175.029 174.600 0.025 0.000 1.194 175 S CA -0.162 58.045 58.200 0.013 0.000 0.990 175 S CB 1.716 64.925 63.200 0.014 0.000 1.029 175 S HN 0.560 nan 8.310 nan 0.000 0.560 176 A N 0.259 123.089 122.820 0.016 0.000 2.340 176 A HA 0.421 4.772 4.320 0.051 0.000 0.268 176 A C 0.552 178.156 177.584 0.033 0.000 1.100 176 A CA -0.584 51.458 52.037 0.008 0.000 0.803 176 A CB -0.088 18.899 19.000 -0.021 0.000 1.043 176 A HN 0.863 nan 8.150 nan 0.000 0.488 177 D N 0.642 121.051 120.400 0.015 0.000 2.137 177 D HA -0.061 4.610 4.640 0.051 0.000 0.202 177 D C 1.567 177.836 176.300 -0.051 0.000 0.970 177 D CA 2.197 56.217 54.000 0.033 0.000 0.837 177 D CB -0.130 40.647 40.800 -0.038 0.000 0.981 177 D HN 0.675 nan 8.370 nan 0.000 0.475 178 T N -0.293 114.162 114.554 -0.165 0.000 3.284 178 T HA 0.287 4.668 4.350 0.051 0.000 0.249 178 T C 0.868 175.548 174.700 -0.033 0.000 0.944 178 T CA -0.567 61.422 62.100 -0.185 0.000 0.919 178 T CB -0.852 67.833 68.868 -0.306 0.000 1.089 178 T HN -0.078 nan 8.240 nan 0.000 0.576 179 V N -1.068 118.878 119.914 0.053 0.000 3.287 179 V HA 0.356 4.507 4.120 0.051 0.000 0.306 179 V C 0.736 176.977 176.094 0.244 0.000 1.103 179 V CA -1.269 61.116 62.300 0.142 0.000 1.159 179 V CB 0.267 32.165 31.823 0.124 0.000 1.036 179 V HN 0.578 nan 8.190 nan 0.000 0.487 180 R N 1.831 122.545 120.500 0.356 0.000 2.216 180 R HA 0.457 4.828 4.340 0.051 0.000 0.332 180 R C -0.933 175.458 176.300 0.151 0.000 1.056 180 R CA -0.081 56.179 56.100 0.267 0.000 0.901 180 R CB 0.150 30.554 30.300 0.172 0.000 1.039 180 R HN 1.066 nan 8.270 nan 0.000 0.456 181 D N 3.387 123.885 120.400 0.163 0.000 2.710 181 D HA 0.182 4.852 4.640 0.051 0.000 0.276 181 D C -0.532 175.888 176.300 0.199 0.000 1.267 181 D CA -0.623 53.461 54.000 0.141 0.000 0.772 181 D CB 1.217 42.090 40.800 0.120 0.000 1.299 181 D HN 0.223 nan 8.370 nan 0.000 0.421 182 I N 1.237 121.943 120.570 0.227 0.000 2.882 182 I HA 0.233 4.434 4.170 0.051 0.000 0.286 182 I C 0.825 177.088 176.117 0.244 0.000 1.139 182 I CA -0.041 61.406 61.300 0.245 0.000 1.379 182 I CB 0.055 38.233 38.000 0.297 0.000 1.410 182 I HN 0.253 nan 8.210 nan 0.000 0.594 183 R N 2.490 123.156 120.500 0.278 0.000 2.637 183 R HA 0.568 4.938 4.340 0.051 0.000 0.291 183 R C -0.071 176.430 176.300 0.335 0.000 0.963 183 R CA -0.764 55.518 56.100 0.304 0.000 0.901 183 R CB 1.455 31.954 30.300 0.332 0.000 1.160 183 R HN 0.810 nan 8.270 nan 0.000 0.457 184 G N 0.891 109.910 108.800 0.365 0.000 2.425 184 G HA2 0.508 4.499 3.960 0.051 0.000 0.302 184 G HA3 0.508 4.499 3.960 0.051 0.000 0.302 184 G C -1.304 173.691 174.900 0.160 0.000 1.159 184 G CA -0.069 45.215 45.100 0.307 0.000 0.865 184 G HN 0.356 nan 8.290 nan 0.000 0.515 185 F N 1.573 121.430 119.950 -0.155 0.000 3.090 185 F HA 0.633 5.191 4.527 0.051 0.000 0.381 185 F C -0.298 175.202 175.800 -0.500 0.000 1.231 185 F CA -1.801 55.998 58.000 -0.334 0.000 1.177 185 F CB 0.973 39.897 39.000 -0.128 0.000 1.598 185 F HN 0.674 nan 8.300 nan 0.000 0.589 186 A N 3.352 125.904 122.820 -0.446 0.000 2.303 186 A HA 0.792 5.142 4.320 0.051 0.000 0.320 186 A C -0.619 176.507 177.584 -0.763 0.000 1.192 186 A CA -0.460 51.158 52.037 -0.699 0.000 0.821 186 A CB 0.893 19.176 19.000 -1.195 0.000 1.188 186 A HN 0.532 nan 8.150 nan 0.000 0.492 187 T N 2.281 116.547 114.554 -0.480 0.000 2.809 187 T HA 0.389 4.769 4.350 0.051 0.000 0.284 187 T C -0.333 174.139 174.700 -0.380 0.000 0.992 187 T CA -0.456 61.347 62.100 -0.495 0.000 0.957 187 T CB 1.034 69.531 68.868 -0.619 0.000 0.942 187 T HN 0.636 nan 8.240 nan 0.000 0.439 188 K N 3.603 123.876 120.400 -0.212 0.000 2.264 188 K HA 0.433 4.784 4.320 0.051 0.000 0.277 188 K C -1.224 175.037 176.600 -0.564 0.000 1.067 188 K CA -0.578 55.508 56.287 -0.336 0.000 0.900 188 K CB 0.290 32.554 32.500 -0.393 0.000 1.124 188 K HN 0.390 nan 8.250 nan 0.000 0.469 189 F N 4.306 123.960 119.950 -0.495 0.000 2.404 189 F HA 0.222 4.780 4.527 0.052 0.000 0.358 189 F C -0.368 175.221 175.800 -0.352 0.000 1.120 189 F CA -0.547 57.226 58.000 -0.379 0.000 1.144 189 F CB 0.629 39.311 39.000 -0.529 0.000 1.133 189 F HN 0.443 nan 8.300 nan 0.000 0.495 190 Y N 1.851 122.212 120.300 0.101 0.000 2.714 190 Y HA 0.218 4.798 4.550 0.050 0.000 0.333 190 Y C 0.991 176.950 175.900 0.098 0.000 1.220 190 Y CA -0.871 57.270 58.100 0.069 0.000 1.513 190 Y CB -0.120 38.371 38.460 0.052 0.000 1.435 190 Y HN 0.540 nan 8.280 nan 0.000 0.489 191 T N -2.237 112.416 114.554 0.165 0.000 2.874 191 T HA 0.172 4.553 4.350 0.051 0.000 0.281 191 T C 0.935 175.729 174.700 0.157 0.000 0.994 191 T CA -0.737 61.462 62.100 0.165 0.000 1.015 191 T CB 1.088 70.027 68.868 0.119 0.000 1.028 191 T HN 0.658 nan 8.240 nan 0.000 0.523 192 E N 0.220 120.515 120.200 0.159 0.000 2.478 192 E HA -0.036 4.345 4.350 0.051 0.000 0.198 192 E C 0.941 177.609 176.600 0.112 0.000 1.046 192 E CA 0.632 57.108 56.400 0.127 0.000 0.870 192 E CB 0.109 29.880 29.700 0.118 0.000 0.818 192 E HN 0.753 nan 8.360 nan 0.000 0.527 193 E N 0.210 120.480 120.200 0.116 0.000 2.624 193 E HA 0.265 4.646 4.350 0.051 0.000 0.210 193 E C 0.207 176.860 176.600 0.088 0.000 0.997 193 E CA -0.225 56.236 56.400 0.102 0.000 0.999 193 E CB 1.348 31.110 29.700 0.103 0.000 1.040 193 E HN 0.180 nan 8.360 nan 0.000 0.469 194 G N 1.201 110.049 108.800 0.079 0.000 2.357 194 G HA2 -0.090 3.901 3.960 0.051 0.000 0.643 194 G HA3 -0.090 3.901 3.960 0.051 0.000 0.643 194 G C -0.929 173.989 174.900 0.030 0.000 1.358 194 G CA -1.151 43.975 45.100 0.043 0.000 0.986 194 G HN 0.021 nan 8.290 nan 0.000 0.620 195 I N 0.787 121.339 120.570 -0.029 0.000 2.598 195 I HA 0.280 4.481 4.170 0.051 0.000 0.284 195 I C 0.107 176.243 176.117 0.032 0.000 1.140 195 I CA 0.221 61.474 61.300 -0.078 0.000 1.420 195 I CB 0.412 38.293 38.000 -0.197 0.000 1.387 195 I HN 0.447 nan 8.210 nan 0.000 0.553 196 F N 7.080 126.933 119.950 -0.161 0.000 2.402 196 F HA 0.436 4.994 4.527 0.052 0.000 0.355 196 F C -0.491 175.283 175.800 -0.044 0.000 1.123 196 F CA -1.293 56.615 58.000 -0.153 0.000 1.021 196 F CB 0.700 39.469 39.000 -0.384 0.000 1.160 196 F HN 0.346 nan 8.300 nan 0.000 0.451 197 D N 7.014 127.222 120.400 -0.321 0.000 2.280 197 D HA 0.225 4.896 4.640 0.051 0.000 0.236 197 D C -0.490 175.330 176.300 -0.800 0.000 1.082 197 D CA 0.035 53.779 54.000 -0.428 0.000 0.834 197 D CB 2.200 42.957 40.800 -0.072 0.000 1.100 197 D HN 0.622 nan 8.370 nan 0.000 0.486 198 L N 3.213 123.911 121.223 -0.876 0.000 2.270 198 L HA 0.256 4.627 4.340 0.051 0.000 0.286 198 L C -0.860 175.788 176.870 -0.370 0.000 1.059 198 L CA -0.582 53.856 54.840 -0.668 0.000 0.839 198 L CB 0.629 42.306 42.059 -0.636 0.000 1.221 198 L HN 0.059 nan 8.230 nan 0.000 0.431 199 V N 5.625 125.364 119.914 -0.291 0.000 2.240 199 V HA 0.434 4.584 4.120 0.051 0.000 0.265 199 V C 0.842 176.846 176.094 -0.149 0.000 1.073 199 V CA -0.346 61.797 62.300 -0.261 0.000 0.857 199 V CB 0.552 32.181 31.823 -0.324 0.000 1.114 199 V HN 0.828 nan 8.190 nan 0.000 0.469 200 G N 2.924 111.649 108.800 -0.124 0.000 2.705 200 G HA2 0.631 4.622 3.960 0.051 0.000 0.299 200 G HA3 0.631 4.622 3.960 0.051 0.000 0.299 200 G C -0.732 174.202 174.900 0.057 0.000 1.315 200 G CA -0.550 44.533 45.100 -0.028 0.000 1.045 200 G HN 0.479 nan 8.290 nan 0.000 0.517 201 N N -1.097 117.684 118.700 0.135 0.000 2.701 201 N HA 0.248 5.019 4.740 0.051 0.000 0.290 201 N C 0.291 175.986 175.510 0.309 0.000 1.338 201 N CA -0.759 52.428 53.050 0.229 0.000 0.799 201 N CB 1.412 40.021 38.487 0.203 0.000 1.491 201 N HN 0.522 nan 8.380 nan 0.000 0.540 202 N N -1.389 117.511 118.700 0.334 0.000 2.268 202 N HA 0.009 4.779 4.740 0.051 0.000 0.204 202 N C -0.458 175.323 175.510 0.452 0.000 1.124 202 N CA -0.137 53.166 53.050 0.421 0.000 0.838 202 N CB -0.140 38.572 38.487 0.374 0.000 0.994 202 N HN 0.543 nan 8.380 nan 0.000 0.489 203 T N -3.663 110.981 114.554 0.150 0.000 2.906 203 T HA 0.474 4.854 4.350 0.051 0.000 0.295 203 T C -2.592 171.508 174.700 -1.001 0.000 1.075 203 T CA -1.594 60.149 62.100 -0.594 0.000 1.005 203 T CB 3.018 71.422 68.868 -0.774 0.000 1.136 203 T HN -0.243 nan 8.240 nan 0.000 0.498 204 P HA 0.217 nan 4.420 nan 0.000 0.249 204 P C 0.406 177.189 177.300 -0.863 0.000 1.229 204 P CA 0.057 62.269 63.100 -1.480 0.000 0.788 204 P CB -0.013 30.790 31.700 -1.494 0.000 1.072 205 I N -4.460 115.578 120.570 -0.888 0.000 3.343 205 I HA 0.556 4.757 4.170 0.051 0.000 0.315 205 I C -1.321 174.532 176.117 -0.441 0.000 1.153 205 I CA -1.975 58.956 61.300 -0.616 0.000 0.952 205 I CB 1.275 38.866 38.000 -0.683 0.000 1.287 205 I HN -0.250 nan 8.210 nan 0.000 0.472 206 F N 0.065 119.726 119.950 -0.482 0.000 2.618 206 F HA 0.516 5.073 4.527 0.051 0.000 0.332 206 F C 0.413 175.954 175.800 -0.431 0.000 1.061 206 F CA -0.732 57.015 58.000 -0.422 0.000 0.974 206 F CB 1.957 40.848 39.000 -0.182 0.000 1.310 206 F HN 0.374 nan 8.300 nan 0.000 0.491 207 F N 2.171 121.323 119.950 -1.330 0.000 2.234 207 F HA 0.018 4.576 4.527 0.051 0.000 0.299 207 F C 0.737 176.247 175.800 -0.483 0.000 1.087 207 F CA 0.842 58.273 58.000 -0.948 0.000 1.340 207 F CB -0.200 37.833 39.000 -1.610 0.000 1.031 207 F HN 0.135 nan 8.300 nan 0.000 0.500 208 I N -3.184 117.371 120.570 -0.024 0.000 2.957 208 I HA 0.373 4.574 4.170 0.051 0.000 0.310 208 I C 0.437 176.710 176.117 0.261 0.000 1.063 208 I CA -0.847 60.555 61.300 0.170 0.000 1.033 208 I CB 1.855 40.019 38.000 0.273 0.000 1.230 208 I HN -0.151 nan 8.210 nan 0.000 0.447 209 Q N 0.312 120.259 119.800 0.245 0.000 2.259 209 Q HA 0.132 4.502 4.340 0.051 0.000 0.201 209 Q C -0.239 175.935 176.000 0.290 0.000 0.938 209 Q CA 0.683 56.671 55.803 0.307 0.000 0.872 209 Q CB 0.417 29.407 28.738 0.420 0.000 0.971 209 Q HN 0.647 nan 8.270 nan 0.000 0.494 210 D N -1.194 119.349 120.400 0.239 0.000 2.498 210 D HA 0.310 4.981 4.640 0.051 0.000 0.247 210 D C -0.043 176.382 176.300 0.208 0.000 1.070 210 D CA -0.216 53.894 54.000 0.183 0.000 0.842 210 D CB 1.863 42.745 40.800 0.137 0.000 1.361 210 D HN 0.047 nan 8.370 nan 0.000 0.484 211 A N 3.241 126.153 122.820 0.153 0.000 2.076 211 A HA -0.230 4.121 4.320 0.051 0.000 0.220 211 A C 1.780 179.485 177.584 0.201 0.000 1.160 211 A CA 1.618 53.742 52.037 0.144 0.000 0.653 211 A CB -0.730 18.299 19.000 0.047 0.000 0.801 211 A HN 0.806 nan 8.150 nan 0.000 0.455 212 H N 0.116 119.245 119.070 0.099 0.000 2.457 212 H HA -0.017 4.570 4.556 0.052 0.000 0.297 212 H C 1.625 177.033 175.328 0.134 0.000 1.092 212 H CA 1.909 58.010 56.048 0.087 0.000 1.309 212 H CB 0.039 29.828 29.762 0.045 0.000 1.382 212 H HN 0.410 nan 8.280 nan 0.000 0.535 213 K N -0.599 119.933 120.400 0.219 0.000 2.487 213 K HA -0.052 4.299 4.320 0.051 0.000 0.192 213 K C 1.468 178.215 176.600 0.244 0.000 1.027 213 K CA 0.121 56.538 56.287 0.215 0.000 1.054 213 K CB 0.015 32.694 32.500 0.298 0.000 0.824 213 K HN 0.302 nan 8.250 nan 0.000 0.510 214 F N 2.802 122.810 119.950 0.097 0.000 2.126 214 F HA -0.131 4.426 4.527 0.050 0.000 0.299 214 F C -1.029 174.790 175.800 0.033 0.000 1.096 214 F CA 1.199 59.283 58.000 0.140 0.000 1.255 214 F CB -0.345 38.720 39.000 0.108 0.000 0.997 214 F HN 0.013 nan 8.300 nan 0.000 0.479 215 P HA -0.103 nan 4.420 nan 0.000 0.221 215 P C 0.924 177.915 177.300 -0.515 0.000 1.150 215 P CA 1.431 64.296 63.100 -0.392 0.000 0.800 215 P CB -0.030 31.447 31.700 -0.373 0.000 0.787 216 D N -1.146 119.100 120.400 -0.257 0.000 2.084 216 D HA -0.147 4.524 4.640 0.051 0.000 0.196 216 D C 1.789 177.834 176.300 -0.426 0.000 0.985 216 D CA 1.036 54.925 54.000 -0.184 0.000 0.826 216 D CB -0.881 39.979 40.800 0.099 0.000 0.978 216 D HN 0.139 nan 8.370 nan 0.000 0.456 217 F N 2.019 121.577 119.950 -0.652 0.000 2.069 217 F HA -0.261 4.297 4.527 0.051 0.000 0.298 217 F C 2.295 177.706 175.800 -0.649 0.000 1.113 217 F CA 1.317 58.711 58.000 -1.009 0.000 1.214 217 F CB -0.257 38.384 39.000 -0.598 0.000 0.978 217 F HN -0.243 nan 8.300 nan 0.000 0.474 218 V N 0.472 119.955 119.914 -0.718 0.000 2.295 218 V HA -0.358 3.793 4.120 0.051 0.000 0.246 218 V C 2.308 178.180 176.094 -0.370 0.000 1.049 218 V CA 2.464 64.383 62.300 -0.635 0.000 1.024 218 V CB -1.135 30.334 31.823 -0.589 0.000 0.648 218 V HN 0.489 nan 8.190 nan 0.000 0.447 219 H N -0.127 118.711 119.070 -0.386 0.000 2.319 219 H HA -0.216 4.370 4.556 0.051 0.000 0.297 219 H C 2.355 177.534 175.328 -0.250 0.000 1.097 219 H CA 1.239 57.139 56.048 -0.247 0.000 1.285 219 H CB -0.048 29.619 29.762 -0.159 0.000 1.368 219 H HN 0.492 nan 8.280 nan 0.000 0.495 220 A N 0.416 123.073 122.820 -0.270 0.000 1.902 220 A HA -0.140 4.211 4.320 0.051 0.000 0.217 220 A C 2.560 179.996 177.584 -0.246 0.000 1.181 220 A CA 1.651 53.516 52.037 -0.286 0.000 0.623 220 A CB -0.824 17.883 19.000 -0.488 0.000 0.818 220 A HN 0.311 nan 8.150 nan 0.000 0.443 221 V N -0.212 119.435 119.914 -0.445 0.000 2.649 221 V HA -0.013 4.137 4.120 0.051 0.000 0.248 221 V C 0.995 177.061 176.094 -0.047 0.000 1.054 221 V CA 0.866 62.988 62.300 -0.296 0.000 1.073 221 V CB -0.487 30.966 31.823 -0.617 0.000 0.699 221 V HN 0.354 nan 8.190 nan 0.000 0.463 222 K N 0.891 121.222 120.400 -0.115 0.000 2.156 222 K HA 0.200 4.551 4.320 0.051 0.000 0.242 222 K C -2.266 174.285 176.600 -0.081 0.000 1.033 222 K CA -1.464 54.768 56.287 -0.091 0.000 0.878 222 K CB -0.375 32.062 32.500 -0.105 0.000 1.057 222 K HN 0.178 nan 8.250 nan 0.000 0.505 223 P HA 0.025 nan 4.420 nan 0.000 0.268 223 P C -0.551 176.690 177.300 -0.099 0.000 1.205 223 P CA 0.270 63.238 63.100 -0.220 0.000 0.771 223 P CB 0.418 31.994 31.700 -0.206 0.000 0.858 224 E N 4.639 124.826 120.200 -0.022 0.000 2.398 224 E HA -0.004 4.377 4.350 0.051 0.000 0.263 224 E C -1.264 175.417 176.600 0.134 0.000 1.046 224 E CA -1.239 55.258 56.400 0.161 0.000 0.908 224 E CB 0.200 30.130 29.700 0.383 0.000 0.963 224 E HN 0.419 nan 8.360 nan 0.000 0.431 225 P HA -0.167 nan 4.420 nan 0.000 0.229 225 P C 0.870 178.246 177.300 0.127 0.000 1.160 225 P CA 1.194 64.336 63.100 0.070 0.000 0.777 225 P CB 0.102 31.816 31.700 0.023 0.000 0.814 226 H N -0.658 118.453 119.070 0.068 0.000 2.333 226 H HA -0.072 4.515 4.556 0.052 0.000 0.302 226 H C 1.500 176.932 175.328 0.173 0.000 1.075 226 H CA 1.426 57.504 56.048 0.050 0.000 1.348 226 H CB -1.353 28.368 29.762 -0.067 0.000 1.393 226 H HN 0.299 nan 8.280 nan 0.000 0.509 227 W N 0.239 121.190 121.300 -0.582 0.000 2.871 227 W HA 0.684 5.375 4.660 0.051 0.000 0.340 227 W C 0.445 176.795 176.519 -0.282 0.000 1.058 227 W CA -0.916 56.187 57.345 -0.404 0.000 1.633 227 W CB -0.679 28.505 29.460 -0.459 0.000 1.067 227 W HN 0.438 nan 8.180 nan 0.000 0.554 228 A N 1.394 124.178 122.820 -0.061 0.000 2.610 228 A HA -0.144 4.207 4.320 0.051 0.000 0.299 228 A C -0.428 176.917 177.584 -0.399 0.000 1.487 228 A CA 1.457 53.384 52.037 -0.184 0.000 0.743 228 A CB -2.424 16.500 19.000 -0.128 0.000 1.070 228 A HN 0.466 nan 8.150 nan 0.000 0.439 229 I N 0.546 120.735 120.570 -0.635 0.000 2.730 229 I HA 0.573 4.773 4.170 0.051 0.000 0.298 229 I C -2.463 173.356 176.117 -0.497 0.000 1.089 229 I CA -2.425 58.421 61.300 -0.757 0.000 1.041 229 I CB 2.973 40.049 38.000 -1.540 0.000 1.235 229 I HN 0.218 nan 8.210 nan 0.000 0.423 230 P HA 0.314 nan 4.420 nan 0.000 0.292 230 P C -1.591 175.547 177.300 -0.271 0.000 1.300 230 P CA -0.879 62.005 63.100 -0.360 0.000 0.900 230 P CB 1.630 33.192 31.700 -0.230 0.000 1.139 231 Q N 0.757 120.443 119.800 -0.190 0.000 2.279 231 Q HA 0.485 4.856 4.340 0.051 0.000 0.256 231 Q C 1.129 177.090 176.000 -0.066 0.000 0.937 231 Q CA 1.139 56.867 55.803 -0.125 0.000 0.933 231 Q CB -0.380 28.294 28.738 -0.106 0.000 1.189 231 Q HN 0.829 nan 8.270 nan 0.000 0.417 232 G N 3.293 112.063 108.800 -0.049 0.000 2.143 232 G HA2 -0.276 3.715 3.960 0.051 0.000 0.248 232 G HA3 -0.276 3.715 3.960 0.051 0.000 0.248 232 G C -0.400 174.514 174.900 0.022 0.000 0.991 232 G CA 0.409 45.508 45.100 -0.003 0.000 0.689 232 G HN 0.543 nan 8.290 nan 0.000 0.522 233 Q N -0.783 119.015 119.800 -0.003 0.000 2.331 233 Q HA 0.580 4.951 4.340 0.051 0.000 0.272 233 Q C 0.708 176.715 176.000 0.011 0.000 1.062 233 Q CA -0.157 55.669 55.803 0.039 0.000 0.806 233 Q CB 1.875 30.680 28.738 0.112 0.000 1.312 233 Q HN 0.444 nan 8.270 nan 0.000 0.431 234 S N -0.484 115.127 115.700 -0.148 0.000 2.575 234 S HA 0.213 4.714 4.470 0.051 0.000 0.215 234 S C 0.888 175.425 174.600 -0.105 0.000 0.966 234 S CA -0.036 57.840 58.200 -0.539 0.000 0.911 234 S CB 0.337 62.657 63.200 -1.467 0.000 0.780 234 S HN 0.598 nan 8.310 nan 0.000 0.514 235 A N 2.257 125.213 122.820 0.227 0.000 3.091 235 A HA 0.534 4.885 4.320 0.051 0.000 0.264 235 A C 0.108 177.931 177.584 0.398 0.000 1.673 235 A CA -0.641 51.613 52.037 0.361 0.000 1.362 235 A CB -1.157 17.984 19.000 0.235 0.000 1.137 235 A HN 0.883 nan 8.150 nan 0.000 0.617 236 H N -3.835 115.421 119.070 0.310 0.000 2.990 236 H HA 0.537 5.124 4.556 0.052 0.000 0.336 236 H C -0.181 175.342 175.328 0.325 0.000 1.306 236 H CA -0.765 55.437 56.048 0.256 0.000 1.118 236 H CB 0.343 30.215 29.762 0.183 0.000 1.856 236 H HN 0.052 nan 8.280 nan 0.000 0.538 237 D N 0.089 120.657 120.400 0.279 0.000 2.133 237 D HA -0.214 4.457 4.640 0.051 0.000 0.195 237 D C 2.047 178.400 176.300 0.087 0.000 0.997 237 D CA 3.105 57.203 54.000 0.165 0.000 0.840 237 D CB -0.311 40.564 40.800 0.125 0.000 0.947 237 D HN 0.777 nan 8.370 nan 0.000 0.452 238 T N -1.941 112.649 114.554 0.060 0.000 2.904 238 T HA -0.133 4.248 4.350 0.051 0.000 0.267 238 T C 1.883 176.510 174.700 -0.122 0.000 1.059 238 T CA 0.405 62.516 62.100 0.018 0.000 1.137 238 T CB -0.656 68.273 68.868 0.102 0.000 0.879 238 T HN 0.145 nan 8.240 nan 0.000 0.467 239 F N 0.745 120.369 119.950 -0.545 0.000 2.102 239 F HA 0.087 4.644 4.527 0.051 0.000 0.298 239 F C 1.765 177.276 175.800 -0.481 0.000 1.105 239 F CA 0.724 58.331 58.000 -0.655 0.000 1.239 239 F CB -0.510 37.907 39.000 -0.972 0.000 0.991 239 F HN 0.144 nan 8.300 nan 0.000 0.474 240 W N 0.427 121.667 121.300 -0.100 0.000 2.584 240 W HA -0.044 4.647 4.660 0.051 0.000 0.264 240 W C 2.252 178.699 176.519 -0.121 0.000 1.264 240 W CA 0.862 58.144 57.345 -0.105 0.000 1.306 240 W CB -0.486 28.993 29.460 0.031 0.000 1.110 240 W HN 0.047 nan 8.180 nan 0.000 0.606 241 D N -0.499 119.935 120.400 0.056 0.000 2.078 241 D HA -0.297 4.374 4.640 0.051 0.000 0.193 241 D C 1.895 178.193 176.300 -0.003 0.000 0.990 241 D CA 1.528 55.549 54.000 0.036 0.000 0.827 241 D CB -0.601 40.229 40.800 0.050 0.000 0.975 241 D HN 0.159 nan 8.370 nan 0.000 0.451 242 Y N 0.590 120.776 120.300 -0.189 0.000 2.114 242 Y HA -0.246 4.335 4.550 0.052 0.000 0.282 242 Y C 2.283 178.046 175.900 -0.228 0.000 1.165 242 Y CA 1.726 59.701 58.100 -0.208 0.000 1.148 242 Y CB -0.527 37.772 38.460 -0.268 0.000 0.972 242 Y HN -0.091 nan 8.280 nan 0.000 0.504 243 V N 0.146 119.942 119.914 -0.197 0.000 2.287 243 V HA -0.359 3.792 4.120 0.051 0.000 0.248 243 V C 2.627 178.674 176.094 -0.078 0.000 1.053 243 V CA 2.301 64.487 62.300 -0.190 0.000 1.027 243 V CB -1.315 30.301 31.823 -0.346 0.000 0.646 243 V HN 0.673 nan 8.190 nan 0.000 0.447 244 S N -0.112 115.585 115.700 -0.005 0.000 2.419 244 S HA -0.094 4.407 4.470 0.051 0.000 0.233 244 S C 1.712 176.285 174.600 -0.045 0.000 1.016 244 S CA 1.494 59.712 58.200 0.030 0.000 0.974 244 S CB -0.492 62.752 63.200 0.073 0.000 0.786 244 S HN 0.558 nan 8.310 nan 0.000 0.492 245 L N 0.012 121.158 121.223 -0.128 0.000 2.607 245 L HA 0.327 4.697 4.340 0.051 0.000 0.228 245 L C 0.472 177.171 176.870 -0.285 0.000 1.123 245 L CA 0.107 54.844 54.840 -0.172 0.000 0.890 245 L CB 0.055 42.013 42.059 -0.168 0.000 1.103 245 L HN 0.251 nan 8.230 nan 0.000 0.468 246 Q N 0.114 119.704 119.800 -0.349 0.000 3.429 246 Q HA 0.230 4.601 4.340 0.051 0.000 0.237 246 Q C -1.979 173.807 176.000 -0.356 0.000 0.932 246 Q CA -1.391 54.161 55.803 -0.418 0.000 0.731 246 Q CB 1.525 29.887 28.738 -0.627 0.000 1.383 246 Q HN -0.025 nan 8.270 nan 0.000 0.446 247 P HA -0.212 nan 4.420 nan 0.000 0.225 247 P C 1.070 178.067 177.300 -0.506 0.000 1.148 247 P CA 1.056 63.923 63.100 -0.388 0.000 0.779 247 P CB 0.253 31.697 31.700 -0.427 0.000 0.780 248 E N 0.769 120.516 120.200 -0.755 0.000 2.219 248 E HA -0.204 4.177 4.350 0.051 0.000 0.198 248 E C 1.358 177.900 176.600 -0.096 0.000 0.998 248 E CA 1.979 58.172 56.400 -0.345 0.000 0.818 248 E CB -1.334 28.241 29.700 -0.208 0.000 0.741 248 E HN 0.289 nan 8.360 nan 0.000 0.477 249 T N -0.723 113.785 114.554 -0.076 0.000 3.072 249 T HA 0.029 4.410 4.350 0.051 0.000 0.266 249 T C 1.941 176.708 174.700 0.112 0.000 1.127 249 T CA 0.475 62.600 62.100 0.043 0.000 1.107 249 T CB -0.297 68.626 68.868 0.093 0.000 0.910 249 T HN 0.142 nan 8.240 nan 0.000 0.513 250 L N 0.086 121.377 121.223 0.113 0.000 2.083 250 L HA -0.072 4.298 4.340 0.051 0.000 0.209 250 L C 2.852 179.887 176.870 0.274 0.000 1.083 250 L CA 1.761 56.742 54.840 0.235 0.000 0.752 250 L CB -0.795 41.418 42.059 0.258 0.000 0.899 250 L HN 0.464 nan 8.230 nan 0.000 0.433 251 H N 0.044 119.154 119.070 0.067 0.000 2.293 251 H HA -0.201 4.386 4.556 0.052 0.000 0.300 251 H C 2.164 177.478 175.328 -0.023 0.000 1.082 251 H CA 1.845 57.928 56.048 0.058 0.000 1.308 251 H CB 0.206 29.968 29.762 0.000 0.000 1.375 251 H HN 0.364 nan 8.280 nan 0.000 0.495 252 N N -0.127 118.378 118.700 -0.325 0.000 2.244 252 N HA -0.127 4.644 4.740 0.051 0.000 0.183 252 N C 1.974 177.295 175.510 -0.316 0.000 1.016 252 N CA 0.755 53.398 53.050 -0.678 0.000 0.866 252 N CB 0.276 37.895 38.487 -1.447 0.000 0.980 252 N HN 0.121 nan 8.380 nan 0.000 0.430 253 V N 1.788 121.740 119.914 0.063 0.000 2.332 253 V HA -0.273 3.877 4.120 0.051 0.000 0.248 253 V C 2.507 178.736 176.094 0.225 0.000 1.055 253 V CA 1.292 63.792 62.300 0.334 0.000 1.038 253 V CB -0.401 31.686 31.823 0.440 0.000 0.651 253 V HN 0.412 nan 8.190 nan 0.000 0.450 254 M N -1.638 118.133 119.600 0.286 0.000 2.106 254 M HA -0.240 4.271 4.480 0.051 0.000 0.259 254 M C 2.050 178.353 176.300 0.004 0.000 1.068 254 M CA 1.962 57.427 55.300 0.276 0.000 1.100 254 M CB -1.278 31.516 32.600 0.324 0.000 1.351 254 M HN 0.481 nan 8.290 nan 0.000 0.404 255 W N 0.369 121.416 121.300 -0.420 0.000 2.379 255 W HA -0.063 4.628 4.660 0.051 0.000 0.307 255 W C 2.804 179.263 176.519 -0.101 0.000 1.200 255 W CA 1.828 58.898 57.345 -0.458 0.000 1.297 255 W CB -0.917 28.193 29.460 -0.585 0.000 1.140 255 W HN 0.286 nan 8.180 nan 0.000 0.507 256 A N -0.716 122.192 122.820 0.147 0.000 1.972 256 A HA -0.174 4.176 4.320 0.051 0.000 0.219 256 A C 1.911 179.548 177.584 0.088 0.000 1.169 256 A CA 1.581 53.709 52.037 0.152 0.000 0.635 256 A CB -0.517 18.615 19.000 0.220 0.000 0.810 256 A HN 0.115 nan 8.150 nan 0.000 0.446 257 M N 0.372 119.981 119.600 0.015 0.000 2.514 257 M HA 0.046 4.557 4.480 0.051 0.000 0.258 257 M C 1.455 177.797 176.300 0.070 0.000 1.119 257 M CA 0.714 55.958 55.300 -0.093 0.000 1.111 257 M CB -1.193 31.084 32.600 -0.538 0.000 1.390 257 M HN 0.536 nan 8.290 nan 0.000 0.475 258 S N 0.293 116.095 115.700 0.170 0.000 2.641 258 S HA 0.076 4.577 4.470 0.051 0.000 0.261 258 S C 0.765 175.497 174.600 0.221 0.000 1.257 258 S CA -0.326 58.016 58.200 0.237 0.000 0.983 258 S CB 1.031 64.423 63.200 0.320 0.000 0.990 258 S HN 0.178 nan 8.310 nan 0.000 0.572 259 D N 0.218 120.767 120.400 0.247 0.000 2.348 259 D HA 0.031 4.701 4.640 0.051 0.000 0.216 259 D C 1.911 178.361 176.300 0.252 0.000 0.970 259 D CA 0.333 54.502 54.000 0.283 0.000 0.889 259 D CB -0.153 40.880 40.800 0.389 0.000 0.912 259 D HN 0.397 nan 8.370 nan 0.000 0.524 260 R N 0.228 120.868 120.500 0.232 0.000 2.170 260 R HA -0.086 4.285 4.340 0.051 0.000 0.242 260 R C 2.031 178.495 176.300 0.272 0.000 1.145 260 R CA 1.059 57.322 56.100 0.272 0.000 0.984 260 R CB -0.842 29.680 30.300 0.369 0.000 0.869 260 R HN 0.178 nan 8.270 nan 0.000 0.455 261 G N 1.272 110.218 108.800 0.245 0.000 2.679 261 G HA2 -0.017 3.973 3.960 0.051 0.000 0.212 261 G HA3 -0.017 3.973 3.960 0.051 0.000 0.212 261 G C 1.044 176.093 174.900 0.248 0.000 1.137 261 G CA 0.116 45.353 45.100 0.229 0.000 0.787 261 G HN 0.433 nan 8.290 nan 0.000 0.534 262 I N -2.332 118.395 120.570 0.261 0.000 2.917 262 I HA 0.350 4.550 4.170 0.051 0.000 0.292 262 I C -2.877 173.401 176.117 0.268 0.000 1.510 262 I CA -2.513 58.947 61.300 0.267 0.000 0.858 262 I CB 1.679 39.842 38.000 0.271 0.000 1.862 262 I HN -0.259 nan 8.210 nan 0.000 0.615 263 P HA 0.068 nan 4.420 nan 0.000 0.269 263 P C 0.520 177.974 177.300 0.257 0.000 1.215 263 P CA -0.092 63.126 63.100 0.197 0.000 0.780 263 P CB 1.166 32.915 31.700 0.081 0.000 0.898 264 R N 1.290 121.914 120.500 0.208 0.000 2.115 264 R HA 0.070 4.441 4.340 0.051 0.000 0.226 264 R C 0.381 176.824 176.300 0.238 0.000 1.100 264 R CA 1.281 57.551 56.100 0.283 0.000 0.980 264 R CB -0.286 30.150 30.300 0.227 0.000 0.875 264 R HN 0.529 nan 8.270 nan 0.000 0.445 265 S N -2.493 113.133 115.700 -0.123 0.000 2.552 265 S HA 0.222 4.722 4.470 0.051 0.000 0.272 265 S C -0.470 173.808 174.600 -0.537 0.000 1.150 265 S CA -0.872 57.098 58.200 -0.383 0.000 0.849 265 S CB 0.221 63.334 63.200 -0.146 0.000 1.113 265 S HN 0.118 nan 8.310 nan 0.000 0.458 266 Y N 2.366 122.284 120.300 -0.637 0.000 2.403 266 Y HA 0.065 4.645 4.550 0.050 0.000 0.291 266 Y C 2.368 177.927 175.900 -0.568 0.000 1.143 266 Y CA 1.079 58.692 58.100 -0.812 0.000 1.257 266 Y CB -0.287 37.325 38.460 -1.414 0.000 0.984 266 Y HN 0.573 nan 8.280 nan 0.000 0.550 267 R N -0.547 119.835 120.500 -0.196 0.000 2.189 267 R HA -0.061 4.310 4.340 0.051 0.000 0.223 267 R C 1.134 177.398 176.300 -0.060 0.000 1.092 267 R CA 1.558 57.593 56.100 -0.109 0.000 0.989 267 R CB -0.439 29.787 30.300 -0.123 0.000 0.876 267 R HN 0.347 nan 8.270 nan 0.000 0.457 268 T N -1.977 112.557 114.554 -0.032 0.000 3.308 268 T HA 0.330 4.711 4.350 0.051 0.000 0.270 268 T C 0.227 174.972 174.700 0.075 0.000 0.992 268 T CA -0.668 61.441 62.100 0.015 0.000 0.931 268 T CB -0.065 68.796 68.868 -0.012 0.000 1.142 268 T HN 0.069 nan 8.240 nan 0.000 0.525 269 M N -0.932 118.754 119.600 0.143 0.000 2.644 269 M HA 0.725 5.235 4.480 0.051 0.000 0.304 269 M C -0.999 175.481 176.300 0.300 0.000 1.215 269 M CA -0.869 54.555 55.300 0.207 0.000 0.871 269 M CB 2.074 34.794 32.600 0.200 0.000 1.740 269 M HN -0.138 nan 8.290 nan 0.000 0.464 270 E N 0.581 120.945 120.200 0.273 0.000 2.374 270 E HA 0.587 4.968 4.350 0.051 0.000 0.260 270 E C -0.185 176.468 176.600 0.088 0.000 1.101 270 E CA -0.389 56.098 56.400 0.144 0.000 0.907 270 E CB 1.337 31.043 29.700 0.010 0.000 1.014 270 E HN 0.854 nan 8.360 nan 0.000 0.427 271 G N 0.847 109.528 108.800 -0.198 0.000 2.519 271 G HA2 0.633 4.624 3.960 0.051 0.000 0.307 271 G HA3 0.633 4.624 3.960 0.051 0.000 0.307 271 G C -1.442 173.029 174.900 -0.715 0.000 1.266 271 G CA -0.479 44.484 45.100 -0.227 0.000 0.970 271 G HN 0.293 nan 8.290 nan 0.000 0.481 272 F N -0.598 119.294 119.950 -0.097 0.000 2.619 272 F HA 0.507 5.065 4.527 0.051 0.000 0.308 272 F C 1.039 176.747 175.800 -0.153 0.000 1.097 272 F CA -0.574 57.292 58.000 -0.223 0.000 0.953 272 F CB 2.517 41.338 39.000 -0.297 0.000 1.287 272 F HN 0.601 nan 8.300 nan 0.000 0.446 273 G N -0.523 108.342 108.800 0.108 0.000 2.920 273 G HA2 0.179 4.170 3.960 0.051 0.000 0.208 273 G HA3 0.179 4.170 3.960 0.051 0.000 0.208 273 G C 0.724 175.703 174.900 0.131 0.000 1.159 273 G CA 0.651 45.866 45.100 0.192 0.000 0.784 273 G HN 1.011 nan 8.290 nan 0.000 0.535 274 C N -1.388 117.872 119.300 -0.066 0.000 5.885 274 C HA -0.165 4.326 4.460 0.051 0.000 0.327 274 C C 0.782 175.465 174.990 -0.512 0.000 2.426 274 C CA 0.821 59.612 59.018 -0.378 0.000 2.190 274 C CB -1.963 25.436 27.740 -0.569 0.000 3.229 274 C HN 0.612 nan 8.230 nan 0.000 0.266 275 H N -0.063 119.061 119.070 0.090 0.000 2.771 275 H HA 0.474 5.061 4.556 0.051 0.000 0.367 275 H C -0.216 175.107 175.328 -0.009 0.000 1.172 275 H CA 0.041 56.065 56.048 -0.039 0.000 1.186 275 H CB 0.827 30.435 29.762 -0.258 0.000 1.790 275 H HN 0.282 nan 8.280 nan 0.000 0.556 276 T N 2.753 117.321 114.554 0.023 0.000 2.799 276 T HA 0.187 4.568 4.350 0.051 0.000 0.296 276 T C 0.108 174.787 174.700 -0.035 0.000 0.947 276 T CA 0.338 62.431 62.100 -0.011 0.000 1.141 276 T CB -0.431 68.372 68.868 -0.108 0.000 0.891 276 T HN 0.201 nan 8.240 nan 0.000 0.533 277 F N 1.287 121.204 119.950 -0.056 0.000 2.629 277 F HA 0.660 5.218 4.527 0.051 0.000 0.386 277 F C 1.016 176.781 175.800 -0.060 0.000 1.135 277 F CA -1.373 56.620 58.000 -0.012 0.000 1.116 277 F CB 1.439 40.422 39.000 -0.029 0.000 1.426 277 F HN 0.203 nan 8.300 nan 0.000 0.501 278 R N 0.515 121.082 120.500 0.111 0.000 2.740 278 R HA 0.636 5.007 4.340 0.051 0.000 0.282 278 R C -1.579 174.609 176.300 -0.186 0.000 0.969 278 R CA -0.856 55.173 56.100 -0.120 0.000 0.918 278 R CB 1.924 32.085 30.300 -0.232 0.000 1.175 278 R HN 0.423 nan 8.270 nan 0.000 0.464 279 L N 3.279 124.343 121.223 -0.265 0.000 2.343 279 L HA 0.528 4.898 4.340 0.051 0.000 0.275 279 L C -0.415 176.296 176.870 -0.265 0.000 1.056 279 L CA -0.876 53.813 54.840 -0.252 0.000 0.804 279 L CB 1.145 43.058 42.059 -0.243 0.000 1.203 279 L HN 0.356 nan 8.230 nan 0.000 0.440 280 I N 2.492 122.928 120.570 -0.223 0.000 2.447 280 I HA 0.259 4.460 4.170 0.051 0.000 0.287 280 I C -0.317 175.706 176.117 -0.156 0.000 1.023 280 I CA -0.730 60.439 61.300 -0.219 0.000 1.083 280 I CB 1.387 39.263 38.000 -0.206 0.000 1.245 280 I HN 0.633 nan 8.210 nan 0.000 0.434 281 N N 4.893 123.514 118.700 -0.132 0.000 2.448 281 N HA 0.362 5.133 4.740 0.051 0.000 0.274 281 N C 0.937 176.403 175.510 -0.074 0.000 1.239 281 N CA -0.187 52.807 53.050 -0.093 0.000 0.982 281 N CB 0.679 39.120 38.487 -0.078 0.000 1.199 281 N HN 0.537 nan 8.380 nan 0.000 0.576 282 A N -0.255 122.531 122.820 -0.057 0.000 1.986 282 A HA -0.184 4.167 4.320 0.051 0.000 0.220 282 A C 1.645 179.207 177.584 -0.038 0.000 1.171 282 A CA 1.574 53.584 52.037 -0.044 0.000 0.640 282 A CB -0.757 18.224 19.000 -0.032 0.000 0.811 282 A HN 0.712 nan 8.150 nan 0.000 0.451 283 E N -1.585 118.593 120.200 -0.036 0.000 2.358 283 E HA 0.188 4.569 4.350 0.051 0.000 0.195 283 E C 1.400 177.988 176.600 -0.020 0.000 1.010 283 E CA 0.767 57.151 56.400 -0.026 0.000 0.856 283 E CB -0.303 29.382 29.700 -0.025 0.000 0.795 283 E HN 0.848 nan 8.360 nan 0.000 0.504 284 G N 0.861 109.644 108.800 -0.027 0.000 2.159 284 G HA2 -0.305 3.685 3.960 0.051 0.000 0.227 284 G HA3 -0.305 3.685 3.960 0.051 0.000 0.227 284 G C 0.322 175.234 174.900 0.020 0.000 0.986 284 G CA 0.174 45.278 45.100 0.006 0.000 0.651 284 G HN 0.265 nan 8.290 nan 0.000 0.523 285 K N 0.961 121.334 120.400 -0.045 0.000 2.322 285 K HA 0.640 4.991 4.320 0.051 0.000 0.283 285 K C 0.592 177.051 176.600 -0.236 0.000 1.042 285 K CA 0.316 56.547 56.287 -0.093 0.000 0.958 285 K CB 0.522 32.971 32.500 -0.085 0.000 0.984 285 K HN 0.573 nan 8.250 nan 0.000 0.473 286 A N 3.469 126.042 122.820 -0.412 0.000 2.305 286 A HA 0.437 4.787 4.320 0.051 0.000 0.322 286 A C -0.772 176.493 177.584 -0.533 0.000 1.187 286 A CA -0.506 51.119 52.037 -0.687 0.000 0.825 286 A CB 1.194 19.327 19.000 -1.445 0.000 1.164 286 A HN 0.710 nan 8.150 nan 0.000 0.498 287 T N 2.315 116.592 114.554 -0.461 0.000 2.848 287 T HA 0.532 4.913 4.350 0.051 0.000 0.285 287 T C -0.629 173.850 174.700 -0.368 0.000 0.995 287 T CA -0.104 61.781 62.100 -0.358 0.000 0.970 287 T CB 0.463 69.215 68.868 -0.192 0.000 0.976 287 T HN 0.342 nan 8.240 nan 0.000 0.441 288 F N 2.048 121.908 119.950 -0.150 0.000 2.471 288 F HA 0.493 5.050 4.527 0.051 0.000 0.353 288 F C 0.598 176.285 175.800 -0.189 0.000 1.113 288 F CA -0.361 57.548 58.000 -0.152 0.000 1.262 288 F CB 0.582 39.517 39.000 -0.108 0.000 1.146 288 F HN 0.182 nan 8.300 nan 0.000 0.578 289 V N 4.778 124.657 119.914 -0.059 0.000 2.841 289 V HA 0.601 4.752 4.120 0.051 0.000 0.310 289 V C -0.929 174.938 176.094 -0.378 0.000 1.090 289 V CA -0.766 61.345 62.300 -0.315 0.000 0.930 289 V CB 2.048 33.449 31.823 -0.704 0.000 1.014 289 V HN 0.771 nan 8.190 nan 0.000 0.425 290 R N 4.668 124.995 120.500 -0.287 0.000 2.562 290 R HA 0.558 4.929 4.340 0.051 0.000 0.298 290 R C -1.635 174.576 176.300 -0.148 0.000 0.961 290 R CA -0.473 55.482 56.100 -0.242 0.000 0.881 290 R CB 2.029 32.315 30.300 -0.023 0.000 1.159 290 R HN 0.600 nan 8.270 nan 0.000 0.450 291 F N 2.177 122.161 119.950 0.057 0.000 2.385 291 F HA 0.364 4.922 4.527 0.052 0.000 0.336 291 F C 0.938 176.678 175.800 -0.100 0.000 1.100 291 F CA -0.119 57.888 58.000 0.012 0.000 1.116 291 F CB 0.892 39.786 39.000 -0.176 0.000 1.166 291 F HN 0.202 nan 8.300 nan 0.000 0.511 292 H N 1.002 120.079 119.070 0.012 0.000 2.717 292 H HA 0.241 4.828 4.556 0.051 0.000 0.366 292 H C -1.522 173.591 175.328 -0.359 0.000 1.132 292 H CA -0.977 54.978 56.048 -0.156 0.000 1.180 292 H CB 1.898 31.650 29.762 -0.017 0.000 1.678 292 H HN 0.671 nan 8.280 nan 0.000 0.537 293 W N 2.411 123.597 121.300 -0.189 0.000 2.532 293 W HA 0.322 5.013 4.660 0.052 0.000 0.321 293 W C -0.030 176.515 176.519 0.044 0.000 1.037 293 W CA -0.768 56.522 57.345 -0.093 0.000 1.220 293 W CB 1.706 30.935 29.460 -0.384 0.000 1.361 293 W HN 0.289 nan 8.180 nan 0.000 0.468 294 K N 5.709 126.382 120.400 0.456 0.000 2.235 294 K HA 0.399 4.749 4.320 0.051 0.000 0.266 294 K C -2.428 174.403 176.600 0.385 0.000 0.980 294 K CA -1.921 54.567 56.287 0.336 0.000 0.849 294 K CB 1.457 34.101 32.500 0.240 0.000 1.098 294 K HN 0.041 nan 8.250 nan 0.000 0.445 295 P HA 0.058 nan 4.420 nan 0.000 0.282 295 P C 0.351 177.666 177.300 0.025 0.000 1.274 295 P CA -0.128 63.053 63.100 0.135 0.000 0.770 295 P CB 0.801 32.599 31.700 0.163 0.000 0.867 296 L N 2.689 123.870 121.223 -0.070 0.000 2.376 296 L HA -0.056 4.315 4.340 0.051 0.000 0.219 296 L C 2.169 179.020 176.870 -0.031 0.000 1.133 296 L CA 1.064 55.894 54.840 -0.017 0.000 0.816 296 L CB -0.580 41.474 42.059 -0.008 0.000 0.933 296 L HN 0.353 nan 8.230 nan 0.000 0.449 297 A N 0.037 122.810 122.820 -0.077 0.000 2.238 297 A HA 0.395 4.746 4.320 0.051 0.000 0.208 297 A C 1.268 178.849 177.584 -0.006 0.000 1.177 297 A CA 0.687 52.694 52.037 -0.049 0.000 0.804 297 A CB -0.382 18.570 19.000 -0.080 0.000 0.823 297 A HN 0.456 nan 8.150 nan 0.000 0.482 298 G N -0.663 108.148 108.800 0.018 0.000 2.756 298 G HA2 -0.140 3.850 3.960 0.051 0.000 0.678 298 G HA3 -0.140 3.850 3.960 0.051 0.000 0.678 298 G C -0.619 174.312 174.900 0.052 0.000 1.349 298 G CA -0.391 44.739 45.100 0.050 0.000 0.847 298 G HN 0.471 nan 8.290 nan 0.000 0.548 299 K N 0.139 120.577 120.400 0.063 0.000 2.172 299 K HA 0.720 5.070 4.320 0.051 0.000 0.276 299 K C 0.228 176.834 176.600 0.010 0.000 1.013 299 K CA 0.234 56.545 56.287 0.040 0.000 0.913 299 K CB 1.733 34.243 32.500 0.017 0.000 1.055 299 K HN 1.499 nan 8.250 nan 0.000 0.461 300 A N 1.703 124.517 122.820 -0.011 0.000 2.555 300 A HA 0.565 4.916 4.320 0.051 0.000 0.297 300 A C -1.181 176.456 177.584 0.089 0.000 1.060 300 A CA -0.688 51.302 52.037 -0.078 0.000 0.710 300 A CB 1.660 20.421 19.000 -0.397 0.000 1.282 300 A HN 0.507 nan 8.150 nan 0.000 0.399 301 S N 0.627 116.539 115.700 0.353 0.000 2.632 301 S HA 0.757 5.258 4.470 0.051 0.000 0.289 301 S C -0.079 174.842 174.600 0.535 0.000 1.115 301 S CA -0.622 57.821 58.200 0.406 0.000 0.889 301 S CB 1.219 64.645 63.200 0.376 0.000 1.116 301 S HN 0.657 nan 8.310 nan 0.000 0.486 302 L N 1.377 122.810 121.223 0.350 0.000 2.482 302 L HA 0.522 4.892 4.340 0.051 0.000 0.242 302 L C 0.129 177.136 176.870 0.229 0.000 1.210 302 L CA -0.754 54.221 54.840 0.225 0.000 0.819 302 L CB 0.139 42.235 42.059 0.062 0.000 1.203 302 L HN 0.493 nan 8.230 nan 0.000 0.495 303 V N -2.940 117.011 119.914 0.063 0.000 2.850 303 V HA 0.179 4.329 4.120 0.051 0.000 0.315 303 V C 0.678 176.722 176.094 -0.082 0.000 1.064 303 V CA -0.772 61.535 62.300 0.012 0.000 0.979 303 V CB 1.607 33.415 31.823 -0.025 0.000 1.039 303 V HN 0.941 nan 8.190 nan 0.000 0.452 304 W N 2.007 123.178 121.300 -0.215 0.000 2.333 304 W HA -0.223 4.467 4.660 0.051 0.000 0.316 304 W C 1.806 178.164 176.519 -0.269 0.000 1.215 304 W CA 2.554 59.760 57.345 -0.230 0.000 1.278 304 W CB -0.124 29.178 29.460 -0.264 0.000 1.154 304 W HN 1.009 nan 8.180 nan 0.000 0.486 305 D N 0.223 120.365 120.400 -0.431 0.000 2.123 305 D HA -0.299 4.372 4.640 0.051 0.000 0.196 305 D C 2.129 178.070 176.300 -0.599 0.000 0.992 305 D CA 2.191 55.898 54.000 -0.489 0.000 0.833 305 D CB -0.484 40.264 40.800 -0.087 0.000 0.954 305 D HN 0.370 nan 8.370 nan 0.000 0.455 306 E N -0.543 119.170 120.200 -0.811 0.000 2.051 306 E HA -0.195 4.185 4.350 0.051 0.000 0.192 306 E C 2.014 178.271 176.600 -0.571 0.000 0.991 306 E CA 1.036 56.903 56.400 -0.888 0.000 0.799 306 E CB -0.211 28.908 29.700 -0.968 0.000 0.748 306 E HN 0.330 nan 8.360 nan 0.000 0.449 307 A N 1.064 123.567 122.820 -0.529 0.000 1.902 307 A HA -0.243 4.107 4.320 0.051 0.000 0.217 307 A C 2.164 179.414 177.584 -0.556 0.000 1.181 307 A CA 1.728 53.506 52.037 -0.431 0.000 0.623 307 A CB -0.638 18.213 19.000 -0.249 0.000 0.818 307 A HN 0.419 nan 8.150 nan 0.000 0.443 308 Q N -0.541 118.729 119.800 -0.883 0.000 2.079 308 Q HA -0.161 4.209 4.340 0.051 0.000 0.200 308 Q C 2.163 177.885 176.000 -0.463 0.000 0.974 308 Q CA 1.694 56.995 55.803 -0.836 0.000 0.840 308 Q CB -0.136 27.825 28.738 -1.295 0.000 0.898 308 Q HN 0.650 nan 8.270 nan 0.000 0.430 309 K N 0.046 120.199 120.400 -0.412 0.000 2.148 309 K HA -0.141 4.209 4.320 0.051 0.000 0.204 309 K C 2.070 178.527 176.600 -0.238 0.000 1.050 309 K CA 0.647 56.781 56.287 -0.255 0.000 0.942 309 K CB -0.024 32.368 32.500 -0.179 0.000 0.724 309 K HN 0.171 nan 8.250 nan 0.000 0.446 310 L N 1.434 122.472 121.223 -0.310 0.000 2.131 310 L HA -0.155 4.216 4.340 0.051 0.000 0.210 310 L C 2.252 178.981 176.870 -0.236 0.000 1.092 310 L CA 2.197 56.850 54.840 -0.312 0.000 0.759 310 L CB -0.985 40.798 42.059 -0.459 0.000 0.903 310 L HN 0.339 nan 8.230 nan 0.000 0.435 311 T N -4.339 110.081 114.554 -0.223 0.000 2.849 311 T HA -0.091 4.290 4.350 0.051 0.000 0.270 311 T C 1.838 176.472 174.700 -0.110 0.000 1.066 311 T CA 1.062 63.074 62.100 -0.148 0.000 1.130 311 T CB -0.955 67.836 68.868 -0.129 0.000 0.864 311 T HN 0.387 nan 8.240 nan 0.000 0.481 312 G N 1.264 109.992 108.800 -0.120 0.000 2.437 312 G HA2 -0.001 3.990 3.960 0.051 0.000 0.212 312 G HA3 -0.001 3.990 3.960 0.051 0.000 0.212 312 G C 1.883 176.738 174.900 -0.075 0.000 1.174 312 G CA -0.240 44.808 45.100 -0.087 0.000 0.811 312 G HN 0.315 nan 8.290 nan 0.000 0.537 313 R N 0.488 120.934 120.500 -0.090 0.000 2.096 313 R HA -0.013 4.358 4.340 0.051 0.000 0.235 313 R C -0.078 176.194 176.300 -0.047 0.000 1.127 313 R CA 1.082 57.142 56.100 -0.067 0.000 0.968 313 R CB -0.369 29.885 30.300 -0.077 0.000 0.861 313 R HN 0.365 nan 8.270 nan 0.000 0.440 314 D N -0.709 119.658 120.400 -0.056 0.000 2.411 314 D HA 0.141 4.812 4.640 0.051 0.000 0.239 314 D C -2.159 174.139 176.300 -0.004 0.000 1.307 314 D CA -1.830 52.169 54.000 -0.002 0.000 0.930 314 D CB 1.332 42.179 40.800 0.078 0.000 1.395 314 D HN -0.147 nan 8.370 nan 0.000 0.536 315 P HA 0.016 nan 4.420 nan 0.000 0.231 315 P C 0.090 177.394 177.300 0.008 0.000 1.158 315 P CA 0.585 63.672 63.100 -0.023 0.000 0.763 315 P CB 0.479 32.163 31.700 -0.026 0.000 0.805 316 D N -1.499 118.918 120.400 0.029 0.000 2.388 316 D HA 0.069 4.740 4.640 0.051 0.000 0.221 316 D C 1.253 177.596 176.300 0.070 0.000 1.133 316 D CA -0.400 53.624 54.000 0.040 0.000 0.831 316 D CB -0.536 40.266 40.800 0.002 0.000 0.962 316 D HN 0.129 nan 8.370 nan 0.000 0.502 317 F N 1.250 121.143 119.950 -0.095 0.000 2.120 317 F HA -0.256 4.302 4.527 0.051 0.000 0.300 317 F C 2.043 177.819 175.800 -0.041 0.000 1.095 317 F CA 1.886 59.827 58.000 -0.098 0.000 1.249 317 F CB 0.072 38.959 39.000 -0.189 0.000 0.995 317 F HN 0.113 nan 8.300 nan 0.000 0.480 318 H N -1.351 117.641 119.070 -0.129 0.000 2.403 318 H HA -0.042 4.545 4.556 0.051 0.000 0.298 318 H C 2.357 177.589 175.328 -0.160 0.000 1.059 318 H CA 0.706 56.522 56.048 -0.387 0.000 1.363 318 H CB -0.054 29.290 29.762 -0.698 0.000 1.410 318 H HN 0.172 nan 8.280 nan 0.000 0.528 319 R N 1.320 121.921 120.500 0.168 0.000 2.083 319 R HA -0.144 4.227 4.340 0.051 0.000 0.237 319 R C 2.433 178.841 176.300 0.180 0.000 1.137 319 R CA 1.474 57.726 56.100 0.253 0.000 0.951 319 R CB -0.047 30.384 30.300 0.218 0.000 0.851 319 R HN 0.188 nan 8.270 nan 0.000 0.434 320 R N 0.266 120.794 120.500 0.047 0.000 2.081 320 R HA -0.146 4.224 4.340 0.051 0.000 0.235 320 R C 2.150 178.452 176.300 0.003 0.000 1.131 320 R CA 1.683 57.791 56.100 0.013 0.000 0.960 320 R CB -0.214 30.058 30.300 -0.047 0.000 0.856 320 R HN 0.284 nan 8.270 nan 0.000 0.436 321 E N 0.669 120.768 120.200 -0.168 0.000 2.072 321 E HA -0.195 4.186 4.350 0.051 0.000 0.191 321 E C 2.028 178.604 176.600 -0.040 0.000 0.985 321 E CA 1.037 57.307 56.400 -0.216 0.000 0.801 321 E CB -0.107 29.294 29.700 -0.499 0.000 0.750 321 E HN 0.257 nan 8.360 nan 0.000 0.452 322 L N 0.966 122.210 121.223 0.035 0.000 1.989 322 L HA -0.180 4.191 4.340 0.051 0.000 0.211 322 L C 2.239 179.220 176.870 0.185 0.000 1.071 322 L CA 1.923 56.837 54.840 0.123 0.000 0.749 322 L CB -0.938 41.262 42.059 0.235 0.000 0.890 322 L HN 0.330 nan 8.230 nan 0.000 0.431 323 W N 0.800 122.139 121.300 0.065 0.000 2.358 323 W HA -0.185 4.506 4.660 0.052 0.000 0.303 323 W C 2.217 178.766 176.519 0.051 0.000 1.208 323 W CA 2.022 59.416 57.345 0.082 0.000 1.274 323 W CB -0.090 29.424 29.460 0.090 0.000 1.138 323 W HN 0.367 nan 8.180 nan 0.000 0.515 324 E N -0.018 120.356 120.200 0.290 0.000 2.152 324 E HA -0.108 4.273 4.350 0.051 0.000 0.192 324 E C 2.361 178.992 176.600 0.051 0.000 0.983 324 E CA 0.945 57.437 56.400 0.154 0.000 0.818 324 E CB -0.323 29.418 29.700 0.069 0.000 0.758 324 E HN 0.156 nan 8.360 nan 0.000 0.467 325 A N 1.439 124.286 122.820 0.045 0.000 1.883 325 A HA -0.195 4.156 4.320 0.051 0.000 0.217 325 A C 2.174 179.768 177.584 0.017 0.000 1.186 325 A CA 1.174 53.225 52.037 0.022 0.000 0.624 325 A CB -0.579 18.436 19.000 0.024 0.000 0.822 325 A HN 0.144 nan 8.150 nan 0.000 0.444 326 I N -0.629 119.977 120.570 0.060 0.000 2.315 326 I HA -0.214 3.987 4.170 0.051 0.000 0.248 326 I C 2.430 178.606 176.117 0.098 0.000 1.117 326 I CA 1.327 62.713 61.300 0.143 0.000 1.404 326 I CB -0.384 37.647 38.000 0.050 0.000 1.071 326 I HN 0.431 nan 8.210 nan 0.000 0.419 327 E N 0.817 121.033 120.200 0.026 0.000 2.204 327 E HA -0.154 4.226 4.350 0.051 0.000 0.194 327 E C 2.203 178.815 176.600 0.019 0.000 0.989 327 E CA 1.080 57.509 56.400 0.048 0.000 0.824 327 E CB -0.037 29.728 29.700 0.108 0.000 0.756 327 E HN 0.488 nan 8.360 nan 0.000 0.477 328 A N 0.168 122.971 122.820 -0.028 0.000 2.119 328 A HA 0.146 4.496 4.320 0.051 0.000 0.216 328 A C 1.842 179.337 177.584 -0.149 0.000 1.152 328 A CA 1.096 53.095 52.037 -0.064 0.000 0.708 328 A CB -0.169 18.792 19.000 -0.064 0.000 0.805 328 A HN 0.346 nan 8.150 nan 0.000 0.460 329 G N -0.625 107.968 108.800 -0.344 0.000 2.157 329 G HA2 -0.191 3.799 3.960 0.051 0.000 0.239 329 G HA3 -0.191 3.799 3.960 0.051 0.000 0.239 329 G C -0.176 174.177 174.900 -0.911 0.000 0.982 329 G CA 0.246 44.794 45.100 -0.921 0.000 0.650 329 G HN 0.414 nan 8.290 nan 0.000 0.527 330 D N 1.017 121.156 120.400 -0.435 0.000 2.885 330 D HA 0.240 4.911 4.640 0.051 0.000 0.234 330 D C 0.829 177.026 176.300 -0.171 0.000 1.129 330 D CA -0.082 53.774 54.000 -0.241 0.000 0.991 330 D CB -0.799 39.971 40.800 -0.050 0.000 1.137 330 D HN 0.452 nan 8.370 nan 0.000 0.459 331 F N 1.424 121.378 119.950 0.007 0.000 2.602 331 F HA 0.064 4.622 4.527 0.051 0.000 0.385 331 F C -1.317 174.456 175.800 -0.046 0.000 1.063 331 F CA -1.872 56.124 58.000 -0.007 0.000 1.233 331 F CB -0.159 38.849 39.000 0.012 0.000 1.067 331 F HN -0.070 nan 8.300 nan 0.000 0.564 332 P HA -0.001 nan 4.420 nan 0.000 0.262 332 P C -0.989 176.252 177.300 -0.099 0.000 1.182 332 P CA 0.392 63.473 63.100 -0.033 0.000 0.761 332 P CB 0.452 32.220 31.700 0.113 0.000 0.795 333 E N 2.217 122.204 120.200 -0.354 0.000 2.248 333 E HA 0.466 4.847 4.350 0.051 0.000 0.267 333 E C -1.096 175.204 176.600 -0.500 0.000 0.877 333 E CA -0.568 55.686 56.400 -0.243 0.000 0.759 333 E CB 1.555 31.211 29.700 -0.074 0.000 1.182 333 E HN 0.381 nan 8.360 nan 0.000 0.418 334 Y N 0.276 120.653 120.300 0.129 0.000 2.492 334 Y HA 0.238 4.818 4.550 0.051 0.000 0.346 334 Y C -0.249 175.892 175.900 0.402 0.000 0.997 334 Y CA -0.975 57.280 58.100 0.258 0.000 1.025 334 Y CB 1.994 40.576 38.460 0.204 0.000 1.263 334 Y HN 0.463 nan 8.280 nan 0.000 0.454 335 E N 2.927 123.455 120.200 0.546 0.000 2.146 335 E HA 0.354 4.735 4.350 0.051 0.000 0.282 335 E C -1.356 175.527 176.600 0.471 0.000 0.989 335 E CA -0.902 55.773 56.400 0.458 0.000 0.799 335 E CB 0.916 30.819 29.700 0.338 0.000 1.088 335 E HN 0.582 nan 8.360 nan 0.000 0.397 336 L N 4.340 125.774 121.223 0.352 0.000 2.416 336 L HA 0.488 4.859 4.340 0.051 0.000 0.272 336 L C -0.013 176.784 176.870 -0.122 0.000 1.161 336 L CA 0.690 55.429 54.840 -0.169 0.000 0.845 336 L CB 1.059 42.972 42.059 -0.243 0.000 1.119 336 L HN 0.589 nan 8.230 nan 0.000 0.464 337 G N 4.255 112.986 108.800 -0.115 0.000 2.659 337 G HA2 0.547 4.538 3.960 0.051 0.000 0.296 337 G HA3 0.547 4.538 3.960 0.051 0.000 0.296 337 G C -1.680 173.334 174.900 0.189 0.000 1.369 337 G CA -0.530 44.536 45.100 -0.055 0.000 0.937 337 G HN 0.447 nan 8.290 nan 0.000 0.485 338 F N 0.356 120.326 119.950 0.034 0.000 2.507 338 F HA 0.384 4.942 4.527 0.051 0.000 0.325 338 F C 0.404 176.202 175.800 -0.005 0.000 1.116 338 F CA -0.989 57.032 58.000 0.034 0.000 0.930 338 F CB 2.521 41.524 39.000 0.005 0.000 1.146 338 F HN 0.145 nan 8.300 nan 0.000 0.447 339 Q N 4.277 124.198 119.800 0.202 0.000 2.279 339 Q HA 0.491 4.862 4.340 0.051 0.000 0.256 339 Q C -1.029 175.016 176.000 0.076 0.000 0.937 339 Q CA -0.386 55.480 55.803 0.104 0.000 0.933 339 Q CB 2.047 30.849 28.738 0.108 0.000 1.189 339 Q HN 0.539 nan 8.270 nan 0.000 0.417 340 L N 4.226 125.500 121.223 0.084 0.000 2.333 340 L HA 0.572 4.942 4.340 0.051 0.000 0.280 340 L C -0.882 176.044 176.870 0.092 0.000 1.004 340 L CA -0.767 54.113 54.840 0.067 0.000 0.820 340 L CB 1.296 43.401 42.059 0.076 0.000 1.247 340 L HN 0.517 nan 8.230 nan 0.000 0.416 341 I N 4.412 125.055 120.570 0.121 0.000 2.478 341 I HA 0.411 4.612 4.170 0.051 0.000 0.287 341 I C -2.339 173.888 176.117 0.184 0.000 1.042 341 I CA -1.810 59.604 61.300 0.190 0.000 1.067 341 I CB 1.926 40.073 38.000 0.245 0.000 1.233 341 I HN 0.307 nan 8.210 nan 0.000 0.431 342 P HA 0.064 nan 4.420 nan 0.000 0.269 342 P C 0.723 178.075 177.300 0.086 0.000 1.215 342 P CA -0.235 62.893 63.100 0.047 0.000 0.780 342 P CB 0.810 32.530 31.700 0.033 0.000 0.898 343 E N 2.322 122.475 120.200 -0.078 0.000 2.097 343 E HA -0.281 4.100 4.350 0.051 0.000 0.196 343 E C 1.307 177.981 176.600 0.124 0.000 1.000 343 E CA 1.318 57.677 56.400 -0.068 0.000 0.804 343 E CB -0.003 29.587 29.700 -0.185 0.000 0.740 343 E HN 0.498 nan 8.360 nan 0.000 0.454 344 E N -0.000 120.245 120.200 0.075 0.000 2.511 344 E HA -0.135 4.246 4.350 0.051 0.000 0.196 344 E C 0.284 176.935 176.600 0.085 0.000 1.066 344 E CA 0.653 57.106 56.400 0.087 0.000 0.871 344 E CB 0.154 29.887 29.700 0.056 0.000 0.863 344 E HN 0.245 nan 8.360 nan 0.000 0.520 345 D N 1.249 121.702 120.400 0.088 0.000 2.368 345 D HA 0.008 4.679 4.640 0.051 0.000 0.218 345 D C 1.316 177.621 176.300 0.008 0.000 1.112 345 D CA -0.014 54.006 54.000 0.034 0.000 0.834 345 D CB 0.239 41.072 40.800 0.056 0.000 0.953 345 D HN 0.372 nan 8.370 nan 0.000 0.505 346 E N -0.135 120.049 120.200 -0.027 0.000 2.114 346 E HA -0.215 4.166 4.350 0.051 0.000 0.199 346 E C 0.383 176.641 176.600 -0.570 0.000 1.008 346 E CA 1.230 57.397 56.400 -0.389 0.000 0.810 346 E CB 0.003 29.303 29.700 -0.666 0.000 0.739 346 E HN 0.270 nan 8.360 nan 0.000 0.456 347 F N -0.417 119.521 119.950 -0.019 0.000 2.684 347 F HA 0.284 4.841 4.527 0.051 0.000 0.298 347 F C 1.190 176.893 175.800 -0.162 0.000 1.120 347 F CA -0.266 57.695 58.000 -0.065 0.000 1.332 347 F CB 0.563 39.541 39.000 -0.037 0.000 0.986 347 F HN -0.185 nan 8.300 nan 0.000 0.524 348 K N 0.108 120.378 120.400 -0.217 0.000 2.487 348 K HA 0.120 4.471 4.320 0.051 0.000 0.192 348 K C -0.291 175.851 176.600 -0.763 0.000 1.027 348 K CA 0.392 56.381 56.287 -0.496 0.000 1.054 348 K CB 0.144 32.299 32.500 -0.575 0.000 0.824 348 K HN 0.170 nan 8.250 nan 0.000 0.510 349 F N -0.239 119.563 119.950 -0.246 0.000 2.541 349 F HA 0.161 4.719 4.527 0.051 0.000 0.331 349 F C 1.180 176.794 175.800 -0.310 0.000 1.057 349 F CA -1.085 56.672 58.000 -0.406 0.000 0.975 349 F CB 0.889 39.290 39.000 -0.999 0.000 1.246 349 F HN -0.217 nan 8.300 nan 0.000 0.484 350 D N 0.548 120.970 120.400 0.036 0.000 2.378 350 D HA -0.028 4.642 4.640 0.051 0.000 0.222 350 D C -0.389 176.021 176.300 0.183 0.000 0.980 350 D CA 1.150 55.236 54.000 0.144 0.000 0.907 350 D CB -0.279 40.695 40.800 0.290 0.000 0.899 350 D HN 0.269 nan 8.370 nan 0.000 0.527 351 F N -1.763 118.274 119.950 0.145 0.000 2.629 351 F HA 0.451 5.009 4.527 0.051 0.000 0.316 351 F C -0.347 175.455 175.800 0.004 0.000 1.081 351 F CA -1.612 56.400 58.000 0.020 0.000 0.954 351 F CB 0.911 39.882 39.000 -0.048 0.000 1.337 351 F HN -0.420 nan 8.300 nan 0.000 0.474 352 D N 1.725 122.155 120.400 0.050 0.000 2.277 352 D HA 0.228 4.899 4.640 0.051 0.000 0.249 352 D C 1.021 177.281 176.300 -0.066 0.000 1.134 352 D CA -0.071 53.904 54.000 -0.042 0.000 0.863 352 D CB 1.510 42.296 40.800 -0.023 0.000 1.143 352 D HN 0.753 nan 8.370 nan 0.000 0.458 353 L N 3.418 124.540 121.223 -0.169 0.000 2.261 353 L HA -0.145 4.226 4.340 0.051 0.000 0.216 353 L C 1.987 178.746 176.870 -0.185 0.000 1.114 353 L CA 0.736 55.459 54.840 -0.196 0.000 0.777 353 L CB -0.125 41.672 42.059 -0.436 0.000 0.910 353 L HN 0.451 nan 8.230 nan 0.000 0.440 354 L N -0.894 120.240 121.223 -0.149 0.000 2.591 354 L HA 0.057 4.428 4.340 0.051 0.000 0.228 354 L C 0.449 177.261 176.870 -0.096 0.000 1.133 354 L CA -0.141 54.677 54.840 -0.037 0.000 0.880 354 L CB -0.249 41.907 42.059 0.160 0.000 1.033 354 L HN 0.106 nan 8.230 nan 0.000 0.450 355 D N 1.798 121.929 120.400 -0.448 0.000 2.347 355 D HA 0.123 4.794 4.640 0.051 0.000 0.235 355 D C -1.717 174.366 176.300 -0.363 0.000 1.149 355 D CA -2.325 51.142 54.000 -0.888 0.000 0.850 355 D CB 1.566 41.555 40.800 -1.352 0.000 1.061 355 D HN -0.071 nan 8.370 nan 0.000 0.487 356 P HA 0.010 nan 4.420 nan 0.000 0.253 356 P C 0.764 177.972 177.300 -0.155 0.000 1.260 356 P CA 0.360 63.392 63.100 -0.114 0.000 0.800 356 P CB -0.029 31.690 31.700 0.032 0.000 1.162 357 T N -4.257 110.194 114.554 -0.170 0.000 3.107 357 T HA 0.154 4.535 4.350 0.051 0.000 0.249 357 T C 0.743 175.353 174.700 -0.150 0.000 1.096 357 T CA -0.062 61.947 62.100 -0.151 0.000 1.012 357 T CB -0.166 68.658 68.868 -0.072 0.000 0.977 357 T HN -0.146 nan 8.240 nan 0.000 0.527 358 K N 2.227 122.449 120.400 -0.296 0.000 2.206 358 K HA 0.552 4.902 4.320 0.051 0.000 0.264 358 K C -0.298 176.129 176.600 -0.290 0.000 0.967 358 K CA -0.850 55.142 56.287 -0.492 0.000 0.844 358 K CB 2.086 34.197 32.500 -0.649 0.000 1.099 358 K HN 0.307 nan 8.250 nan 0.000 0.441 359 L N -0.096 121.097 121.223 -0.050 0.000 2.375 359 L HA 0.629 5.000 4.340 0.051 0.000 0.268 359 L C -0.048 176.645 176.870 -0.294 0.000 1.058 359 L CA -0.400 54.358 54.840 -0.136 0.000 0.803 359 L CB 0.296 42.347 42.059 -0.013 0.000 1.212 359 L HN 0.446 nan 8.230 nan 0.000 0.451 360 I N 1.853 122.334 120.570 -0.148 0.000 2.306 360 I HA 0.362 4.563 4.170 0.051 0.000 0.288 360 I C -2.078 174.036 176.117 -0.005 0.000 1.036 360 I CA -1.703 59.550 61.300 -0.078 0.000 1.221 360 I CB 1.045 39.029 38.000 -0.026 0.000 1.385 360 I HN 0.474 nan 8.210 nan 0.000 0.472 361 P HA 0.026 nan 4.420 nan 0.000 0.265 361 P C 0.337 177.684 177.300 0.078 0.000 1.193 361 P CA 0.071 63.196 63.100 0.043 0.000 0.765 361 P CB 0.602 32.320 31.700 0.031 0.000 0.823 362 E N 1.707 121.965 120.200 0.097 0.000 2.265 362 E HA -0.200 4.181 4.350 0.051 0.000 0.196 362 E C 1.409 178.051 176.600 0.070 0.000 0.996 362 E CA 0.781 57.228 56.400 0.078 0.000 0.832 362 E CB -0.008 29.741 29.700 0.081 0.000 0.756 362 E HN 0.510 nan 8.360 nan 0.000 0.491 363 E N 0.345 120.589 120.200 0.073 0.000 2.153 363 E HA -0.149 4.231 4.350 0.051 0.000 0.194 363 E C 2.033 178.689 176.600 0.093 0.000 0.988 363 E CA 0.802 57.245 56.400 0.071 0.000 0.811 363 E CB 0.077 29.814 29.700 0.061 0.000 0.746 363 E HN 0.369 nan 8.360 nan 0.000 0.466 364 L N -0.458 120.838 121.223 0.121 0.000 2.221 364 L HA 0.061 4.432 4.340 0.051 0.000 0.202 364 L C 0.582 177.558 176.870 0.177 0.000 1.074 364 L CA 0.360 55.309 54.840 0.183 0.000 0.795 364 L CB 0.494 42.718 42.059 0.274 0.000 0.960 364 L HN -0.208 nan 8.230 nan 0.000 0.458 365 V N 0.709 120.694 119.914 0.120 0.000 2.419 365 V HA 0.336 4.487 4.120 0.051 0.000 0.287 365 V C -2.462 173.667 176.094 0.059 0.000 1.017 365 V CA -1.465 60.895 62.300 0.100 0.000 0.844 365 V CB 1.502 33.369 31.823 0.075 0.000 1.011 365 V HN -0.075 nan 8.190 nan 0.000 0.429 366 P HA 0.191 nan 4.420 nan 0.000 0.272 366 P C -0.312 176.982 177.300 -0.010 0.000 1.223 366 P CA -0.092 63.022 63.100 0.022 0.000 0.784 366 P CB 0.771 32.490 31.700 0.032 0.000 0.923 367 V N 3.214 123.087 119.914 -0.069 0.000 2.470 367 V HA 0.085 4.236 4.120 0.051 0.000 0.276 367 V C 0.674 176.752 176.094 -0.027 0.000 1.040 367 V CA 0.098 62.328 62.300 -0.117 0.000 1.008 367 V CB 0.169 31.835 31.823 -0.262 0.000 0.990 367 V HN 0.520 nan 8.190 nan 0.000 0.477 368 Q N 6.310 126.115 119.800 0.008 0.000 2.274 368 Q HA 0.354 4.725 4.340 0.051 0.000 0.256 368 Q C 0.372 176.360 176.000 -0.020 0.000 0.927 368 Q CA -0.779 55.032 55.803 0.013 0.000 0.939 368 Q CB 0.792 29.553 28.738 0.039 0.000 1.201 368 Q HN 0.813 nan 8.270 nan 0.000 0.426 369 R N 2.185 122.698 120.500 0.021 0.000 2.590 369 R HA 0.123 4.493 4.340 0.051 0.000 0.274 369 R C -0.572 175.745 176.300 0.029 0.000 1.061 369 R CA -0.339 55.808 56.100 0.079 0.000 1.081 369 R CB 0.735 31.160 30.300 0.208 0.000 0.984 369 R HN 0.524 nan 8.270 nan 0.000 0.448 370 V N 1.313 121.168 119.914 -0.098 0.000 3.137 370 V HA 0.327 4.477 4.120 0.051 0.000 0.236 370 V C 0.797 176.668 176.094 -0.371 0.000 1.260 370 V CA 1.095 63.221 62.300 -0.290 0.000 1.244 370 V CB 0.832 32.187 31.823 -0.781 0.000 1.016 370 V HN 1.064 nan 8.190 nan 0.000 0.477 371 G N -0.392 108.091 108.800 -0.529 0.000 2.488 371 G HA2 0.507 4.498 3.960 0.051 0.000 0.301 371 G HA3 0.507 4.498 3.960 0.051 0.000 0.301 371 G C -1.866 172.664 174.900 -0.617 0.000 1.339 371 G CA -0.526 43.958 45.100 -1.026 0.000 0.803 371 G HN 0.030 nan 8.290 nan 0.000 0.482 372 K N -0.184 119.865 120.400 -0.585 0.000 2.397 372 K HA 0.689 5.040 4.320 0.051 0.000 0.253 372 K C -0.811 175.798 176.600 0.016 0.000 0.932 372 K CA -0.730 55.519 56.287 -0.063 0.000 0.795 372 K CB 1.957 34.468 32.500 0.018 0.000 1.159 372 K HN 0.586 nan 8.250 nan 0.000 0.424 373 M N 4.648 124.413 119.600 0.276 0.000 2.294 373 M HA 0.426 4.936 4.480 0.051 0.000 0.335 373 M C -1.722 174.561 176.300 -0.028 0.000 1.079 373 M CA -0.726 54.682 55.300 0.180 0.000 0.982 373 M CB 1.638 34.391 32.600 0.256 0.000 1.651 373 M HN 0.335 nan 8.290 nan 0.000 0.437 374 V N 6.252 125.984 119.914 -0.304 0.000 2.588 374 V HA 0.465 4.615 4.120 0.051 0.000 0.304 374 V C -0.647 175.332 176.094 -0.193 0.000 1.042 374 V CA -0.713 61.433 62.300 -0.257 0.000 0.877 374 V CB 1.907 33.465 31.823 -0.441 0.000 0.996 374 V HN 0.817 nan 8.190 nan 0.000 0.425 375 L N 5.437 126.635 121.223 -0.043 0.000 2.265 375 L HA 0.533 4.904 4.340 0.051 0.000 0.289 375 L C 0.407 177.232 176.870 -0.076 0.000 1.033 375 L CA -0.309 54.510 54.840 -0.034 0.000 0.814 375 L CB 1.210 43.288 42.059 0.032 0.000 1.203 375 L HN 0.874 nan 8.230 nan 0.000 0.423 376 N N 2.080 120.660 118.700 -0.201 0.000 2.143 376 N HA 0.125 4.895 4.740 0.051 0.000 0.229 376 N C -0.026 175.352 175.510 -0.220 0.000 1.294 376 N CA -0.374 52.360 53.050 -0.526 0.000 0.883 376 N CB 0.794 38.635 38.487 -1.077 0.000 1.148 376 N HN 0.427 nan 8.380 nan 0.000 0.511 377 R N 0.479 120.936 120.500 -0.070 0.000 2.548 377 R HA 0.331 4.702 4.340 0.051 0.000 0.280 377 R C -1.166 175.100 176.300 -0.057 0.000 1.061 377 R CA -0.544 55.526 56.100 -0.050 0.000 0.915 377 R CB 1.447 31.725 30.300 -0.038 0.000 1.210 377 R HN 0.077 nan 8.270 nan 0.000 0.442 378 N N 3.020 121.563 118.700 -0.262 0.000 2.444 378 N HA 0.254 5.025 4.740 0.051 0.000 0.255 378 N C -2.241 173.204 175.510 -0.108 0.000 1.255 378 N CA -1.205 51.543 53.050 -0.503 0.000 0.933 378 N CB 0.454 38.000 38.487 -1.568 0.000 1.143 378 N HN 0.275 nan 8.380 nan 0.000 0.453 379 P HA 0.087 nan 4.420 nan 0.000 0.271 379 P C 0.212 177.695 177.300 0.304 0.000 1.244 379 P CA -0.086 63.198 63.100 0.306 0.000 0.793 379 P CB 0.916 32.844 31.700 0.381 0.000 0.984 380 D N -0.964 119.590 120.400 0.258 0.000 2.149 380 D HA -0.036 4.635 4.640 0.051 0.000 0.206 380 D C 0.470 176.949 176.300 0.299 0.000 0.967 380 D CA 1.406 55.558 54.000 0.253 0.000 0.848 380 D CB 0.068 40.957 40.800 0.148 0.000 0.998 380 D HN 0.393 nan 8.370 nan 0.000 0.474 381 N N -0.165 118.698 118.700 0.273 0.000 2.491 381 N HA 0.012 4.783 4.740 0.051 0.000 0.274 381 N C 0.107 175.828 175.510 0.351 0.000 1.023 381 N CA -0.319 52.908 53.050 0.295 0.000 0.902 381 N CB 1.508 40.136 38.487 0.235 0.000 1.267 381 N HN -0.144 nan 8.380 nan 0.000 0.503 382 F N 4.369 124.473 119.950 0.257 0.000 2.126 382 F HA -0.194 4.362 4.527 0.049 0.000 0.299 382 F C 1.605 177.543 175.800 0.231 0.000 1.096 382 F CA 1.536 59.690 58.000 0.258 0.000 1.255 382 F CB -0.078 39.049 39.000 0.211 0.000 0.997 382 F HN 0.602 nan 8.300 nan 0.000 0.479 383 F N 0.728 120.926 119.950 0.413 0.000 2.102 383 F HA -0.109 4.458 4.527 0.066 0.000 0.298 383 F C 2.324 178.184 175.800 0.100 0.000 1.105 383 F CA 1.683 59.842 58.000 0.264 0.000 1.239 383 F CB -0.880 38.247 39.000 0.212 0.000 0.991 383 F HN -0.021 nan 8.300 nan 0.000 0.474 384 A N -0.296 122.648 122.820 0.206 0.000 1.933 384 A HA -0.165 4.186 4.320 0.051 0.000 0.218 384 A C 2.066 179.578 177.584 -0.119 0.000 1.175 384 A CA 2.038 54.100 52.037 0.042 0.000 0.628 384 A CB -0.651 18.440 19.000 0.152 0.000 0.814 384 A HN 0.599 nan 8.150 nan 0.000 0.444 385 E N -1.448 118.697 120.200 -0.091 0.000 2.162 385 E HA -0.053 4.327 4.350 0.051 0.000 0.193 385 E C 1.930 178.430 176.600 -0.166 0.000 0.953 385 E CA 0.409 56.691 56.400 -0.197 0.000 0.849 385 E CB -0.098 29.537 29.700 -0.108 0.000 0.810 385 E HN 0.563 nan 8.360 nan 0.000 0.470 386 N N 1.323 119.918 118.700 -0.176 0.000 2.176 386 N HA -0.152 4.619 4.740 0.051 0.000 0.187 386 N C 1.827 177.163 175.510 -0.290 0.000 1.043 386 N CA 1.327 54.215 53.050 -0.270 0.000 0.851 386 N CB 0.101 38.018 38.487 -0.951 0.000 1.018 386 N HN -0.063 nan 8.380 nan 0.000 0.436 387 E N 0.824 120.796 120.200 -0.380 0.000 2.110 387 E HA -0.081 4.300 4.350 0.051 0.000 0.193 387 E C 1.697 178.119 176.600 -0.296 0.000 0.988 387 E CA 1.409 57.668 56.400 -0.235 0.000 0.804 387 E CB -0.139 29.467 29.700 -0.156 0.000 0.745 387 E HN 0.481 nan 8.360 nan 0.000 0.458 388 Q N -0.187 119.357 119.800 -0.427 0.000 2.451 388 Q HA 0.213 4.584 4.340 0.051 0.000 0.206 388 Q C 0.109 175.986 176.000 -0.204 0.000 0.947 388 Q CA 0.258 55.858 55.803 -0.339 0.000 0.937 388 Q CB 0.347 28.860 28.738 -0.375 0.000 1.025 388 Q HN 0.226 nan 8.270 nan 0.000 0.511 389 A N 1.150 123.870 122.820 -0.167 0.000 2.498 389 A HA 0.464 4.814 4.320 0.051 0.000 0.239 389 A C -0.165 177.295 177.584 -0.208 0.000 1.068 389 A CA 0.176 52.086 52.037 -0.211 0.000 0.766 389 A CB 0.274 19.190 19.000 -0.140 0.000 1.003 389 A HN 0.268 nan 8.150 nan 0.000 0.497 390 A N 2.058 124.700 122.820 -0.297 0.000 2.332 390 A HA 0.713 5.064 4.320 0.051 0.000 0.300 390 A C -0.867 176.594 177.584 -0.204 0.000 1.153 390 A CA -0.390 51.555 52.037 -0.154 0.000 0.764 390 A CB 0.378 19.311 19.000 -0.112 0.000 1.174 390 A HN 0.639 nan 8.150 nan 0.000 0.467 391 F N 0.885 120.859 119.950 0.040 0.000 2.492 391 F HA 0.679 5.237 4.527 0.050 0.000 0.327 391 F C 0.261 176.060 175.800 -0.002 0.000 1.079 391 F CA -0.066 57.933 58.000 -0.001 0.000 0.967 391 F CB 2.176 41.117 39.000 -0.099 0.000 1.169 391 F HN 0.759 nan 8.300 nan 0.000 0.472 392 H N 3.127 122.095 119.070 -0.171 0.000 3.099 392 H HA 0.267 4.853 4.556 0.051 0.000 0.342 392 H C -2.499 172.461 175.328 -0.613 0.000 1.054 392 H CA -1.614 54.089 56.048 -0.576 0.000 1.328 392 H CB 2.665 32.004 29.762 -0.705 0.000 1.876 392 H HN 0.199 nan 8.280 nan 0.000 0.495 393 P HA -0.007 nan 4.420 nan 0.000 0.230 393 P C 1.097 178.274 177.300 -0.205 0.000 1.158 393 P CA 1.292 64.070 63.100 -0.536 0.000 0.769 393 P CB 0.155 31.568 31.700 -0.478 0.000 0.807 394 G N -1.003 107.473 108.800 -0.540 0.000 2.598 394 G HA2 -0.140 3.851 3.960 0.051 0.000 0.215 394 G HA3 -0.140 3.851 3.960 0.051 0.000 0.215 394 G C 0.461 175.594 174.900 0.389 0.000 1.131 394 G CA -0.047 45.145 45.100 0.153 0.000 0.785 394 G HN 0.436 nan 8.290 nan 0.000 0.539 395 H N 0.831 120.043 119.070 0.238 0.000 3.216 395 H HA 0.317 4.903 4.556 0.051 0.000 0.263 395 H C 0.622 176.077 175.328 0.212 0.000 1.601 395 H CA -0.719 55.431 56.048 0.171 0.000 1.509 395 H CB -0.159 29.666 29.762 0.104 0.000 1.759 395 H HN 0.393 nan 8.280 nan 0.000 0.533 396 I N -0.460 120.258 120.570 0.247 0.000 3.217 396 I HA 0.699 4.899 4.170 0.051 0.000 0.308 396 I C -0.190 175.926 176.117 -0.002 0.000 1.091 396 I CA -1.412 59.952 61.300 0.107 0.000 1.013 396 I CB 1.898 39.838 38.000 -0.100 0.000 1.250 396 I HN 0.114 nan 8.210 nan 0.000 0.496 397 V N -2.523 117.362 119.914 -0.049 0.000 3.130 397 V HA 0.676 4.827 4.120 0.051 0.000 0.310 397 V C -2.883 173.302 176.094 0.151 0.000 1.158 397 V CA -2.481 59.850 62.300 0.052 0.000 1.029 397 V CB 1.058 32.897 31.823 0.027 0.000 1.057 397 V HN 0.624 nan 8.190 nan 0.000 0.436 398 P HA 0.402 nan 4.420 nan 0.000 0.265 398 P C 0.878 178.170 177.300 -0.014 0.000 1.193 398 P CA 1.965 65.131 63.100 0.111 0.000 0.765 398 P CB 0.791 32.533 31.700 0.070 0.000 0.823 399 G N 1.522 110.268 108.800 -0.090 0.000 2.201 399 G HA2 -0.154 3.837 3.960 0.051 0.000 0.212 399 G HA3 -0.154 3.837 3.960 0.051 0.000 0.212 399 G C -0.236 174.569 174.900 -0.159 0.000 0.994 399 G CA -0.441 44.584 45.100 -0.125 0.000 0.644 399 G HN 0.432 nan 8.290 nan 0.000 0.508 400 L N -0.023 121.117 121.223 -0.138 0.000 2.301 400 L HA 0.931 5.302 4.340 0.051 0.000 0.264 400 L C -0.397 176.406 176.870 -0.111 0.000 1.016 400 L CA -1.059 53.679 54.840 -0.170 0.000 0.821 400 L CB 2.043 43.925 42.059 -0.295 0.000 1.346 400 L HN 0.106 nan 8.230 nan 0.000 0.429 401 D N -0.829 119.492 120.400 -0.132 0.000 2.665 401 D HA 0.434 5.105 4.640 0.051 0.000 0.287 401 D C -1.162 175.041 176.300 -0.161 0.000 1.266 401 D CA -0.389 53.485 54.000 -0.210 0.000 0.830 401 D CB 1.739 42.496 40.800 -0.070 0.000 1.356 401 D HN 0.125 nan 8.370 nan 0.000 0.437 402 F N -0.185 119.882 119.950 0.195 0.000 2.251 402 F HA 0.516 5.074 4.527 0.051 0.000 0.302 402 F C 1.536 177.347 175.800 0.018 0.000 1.143 402 F CA -0.139 57.891 58.000 0.051 0.000 1.104 402 F CB 0.948 39.956 39.000 0.012 0.000 1.516 402 F HN 0.249 nan 8.300 nan 0.000 0.511 403 T N -3.350 111.298 114.554 0.157 0.000 2.716 403 T HA 0.292 4.673 4.350 0.051 0.000 0.286 403 T C -0.141 174.599 174.700 0.066 0.000 1.052 403 T CA -0.999 61.183 62.100 0.137 0.000 1.024 403 T CB 1.099 70.030 68.868 0.106 0.000 1.349 403 T HN 0.335 nan 8.240 nan 0.000 0.525 404 N N 1.249 119.994 118.700 0.075 0.000 2.434 404 N HA 0.061 4.832 4.740 0.051 0.000 0.196 404 N C 0.006 175.531 175.510 0.026 0.000 1.183 404 N CA 0.072 53.148 53.050 0.044 0.000 0.849 404 N CB -0.401 38.126 38.487 0.067 0.000 0.992 404 N HN 0.677 nan 8.380 nan 0.000 0.460 405 D N 2.278 122.678 120.400 0.001 0.000 2.581 405 D HA -0.066 4.605 4.640 0.051 0.000 0.238 405 D C -1.468 174.832 176.300 0.001 0.000 1.145 405 D CA -0.940 53.083 54.000 0.038 0.000 0.866 405 D CB 1.293 42.071 40.800 -0.037 0.000 1.151 405 D HN 0.151 nan 8.370 nan 0.000 0.500 406 P HA -0.051 nan 4.420 nan 0.000 0.245 406 P C 1.404 178.719 177.300 0.025 0.000 1.206 406 P CA -0.054 63.063 63.100 0.028 0.000 0.781 406 P CB 0.497 32.205 31.700 0.013 0.000 0.994 407 L N -0.150 121.104 121.223 0.051 0.000 2.102 407 L HA 0.032 4.402 4.340 0.051 0.000 0.202 407 L C 2.310 179.082 176.870 -0.163 0.000 1.076 407 L CA 1.195 56.050 54.840 0.024 0.000 0.761 407 L CB -1.579 40.577 42.059 0.162 0.000 0.921 407 L HN -0.168 nan 8.230 nan 0.000 0.444 408 L N -0.396 120.573 121.223 -0.423 0.000 2.043 408 L HA -0.249 4.122 4.340 0.051 0.000 0.212 408 L C 2.480 179.096 176.870 -0.423 0.000 1.075 408 L CA 1.822 56.216 54.840 -0.742 0.000 0.752 408 L CB -0.967 40.494 42.059 -0.997 0.000 0.891 408 L HN 0.392 nan 8.230 nan 0.000 0.432 409 Q N -0.322 119.305 119.800 -0.289 0.000 2.077 409 Q HA -0.173 4.197 4.340 0.051 0.000 0.206 409 Q C 2.092 178.005 176.000 -0.145 0.000 0.989 409 Q CA 1.916 57.590 55.803 -0.215 0.000 0.853 409 Q CB -0.825 27.840 28.738 -0.122 0.000 0.907 409 Q HN 0.692 nan 8.270 nan 0.000 0.418 410 G N 0.359 109.105 108.800 -0.090 0.000 2.421 410 G HA2 -0.204 3.787 3.960 0.051 0.000 0.217 410 G HA3 -0.204 3.787 3.960 0.051 0.000 0.217 410 G C 1.492 176.402 174.900 0.017 0.000 1.143 410 G CA 0.187 45.279 45.100 -0.014 0.000 0.784 410 G HN 0.255 nan 8.290 nan 0.000 0.541 411 R N -0.027 120.433 120.500 -0.068 0.000 2.117 411 R HA -0.052 4.318 4.340 0.051 0.000 0.243 411 R C 2.501 178.886 176.300 0.142 0.000 1.143 411 R CA 1.095 57.216 56.100 0.035 0.000 0.968 411 R CB -0.551 29.724 30.300 -0.041 0.000 0.863 411 R HN 0.349 nan 8.270 nan 0.000 0.444 412 L N -0.454 120.746 121.223 -0.039 0.000 2.081 412 L HA -0.239 4.132 4.340 0.051 0.000 0.212 412 L C 2.343 179.347 176.870 0.223 0.000 1.080 412 L CA 1.364 56.205 54.840 0.001 0.000 0.754 412 L CB -0.517 41.387 42.059 -0.259 0.000 0.893 412 L HN 0.173 nan 8.230 nan 0.000 0.433 413 F N 0.074 120.054 119.950 0.049 0.000 2.128 413 F HA -0.183 4.375 4.527 0.052 0.000 0.295 413 F C 2.818 178.654 175.800 0.060 0.000 1.100 413 F CA 1.580 59.604 58.000 0.040 0.000 1.260 413 F CB -0.256 38.748 39.000 0.006 0.000 1.009 413 F HN -0.061 nan 8.300 nan 0.000 0.476 414 S N -0.652 115.084 115.700 0.060 0.000 2.356 414 S HA -0.241 4.260 4.470 0.051 0.000 0.223 414 S C 2.035 176.522 174.600 -0.188 0.000 1.032 414 S CA 1.640 59.763 58.200 -0.129 0.000 1.005 414 S CB -0.791 62.332 63.200 -0.127 0.000 0.867 414 S HN 0.553 nan 8.310 nan 0.000 0.449 415 Y N 1.300 121.612 120.300 0.020 0.000 2.439 415 Y HA -0.010 4.571 4.550 0.052 0.000 0.292 415 Y C 2.839 178.436 175.900 -0.505 0.000 1.130 415 Y CA 1.192 59.331 58.100 0.065 0.000 1.254 415 Y CB -0.434 38.975 38.460 1.581 0.000 1.000 415 Y HN 0.281 nan 8.280 nan 0.000 0.554 416 T N -0.834 113.353 114.554 -0.611 0.000 2.809 416 T HA -0.157 4.224 4.350 0.051 0.000 0.260 416 T C 1.414 175.904 174.700 -0.350 0.000 1.039 416 T CA 1.440 63.275 62.100 -0.442 0.000 1.141 416 T CB -0.364 68.309 68.868 -0.326 0.000 0.869 416 T HN 0.295 nan 8.240 nan 0.000 0.437 417 D N 0.921 121.051 120.400 -0.451 0.000 2.106 417 D HA -0.136 4.535 4.640 0.051 0.000 0.191 417 D C 2.273 178.405 176.300 -0.280 0.000 0.997 417 D CA 1.646 55.391 54.000 -0.424 0.000 0.834 417 D CB -0.534 39.820 40.800 -0.743 0.000 0.956 417 D HN 0.239 nan 8.370 nan 0.000 0.448 418 T N -0.929 113.457 114.554 -0.281 0.000 2.849 418 T HA -0.148 4.233 4.350 0.051 0.000 0.270 418 T C 1.618 176.187 174.700 -0.219 0.000 1.066 418 T CA 1.234 63.211 62.100 -0.205 0.000 1.130 418 T CB -0.209 68.543 68.868 -0.193 0.000 0.864 418 T HN 0.150 nan 8.240 nan 0.000 0.481 419 Q N 0.659 120.252 119.800 -0.345 0.000 2.291 419 Q HA -0.003 4.367 4.340 0.051 0.000 0.206 419 Q C 2.225 178.084 176.000 -0.234 0.000 0.976 419 Q CA 0.739 56.272 55.803 -0.449 0.000 0.875 419 Q CB -0.448 27.584 28.738 -1.177 0.000 0.927 419 Q HN 0.516 nan 8.270 nan 0.000 0.450 420 I N 0.894 121.383 120.570 -0.135 0.000 2.315 420 I HA -0.188 4.013 4.170 0.051 0.000 0.248 420 I C 2.315 178.420 176.117 -0.020 0.000 1.117 420 I CA 1.588 62.873 61.300 -0.024 0.000 1.404 420 I CB -1.305 36.691 38.000 -0.007 0.000 1.071 420 I HN 0.199 nan 8.210 nan 0.000 0.419 421 S N 0.548 116.224 115.700 -0.041 0.000 2.387 421 S HA -0.092 4.408 4.470 0.051 0.000 0.221 421 S C 2.188 176.773 174.600 -0.025 0.000 1.041 421 S CA 0.245 58.434 58.200 -0.020 0.000 0.959 421 S CB -0.426 62.767 63.200 -0.012 0.000 0.843 421 S HN 0.295 nan 8.310 nan 0.000 0.488 422 R N 0.906 121.372 120.500 -0.056 0.000 2.083 422 R HA 0.093 4.464 4.340 0.051 0.000 0.237 422 R C 1.401 177.674 176.300 -0.045 0.000 1.137 422 R CA 1.622 57.691 56.100 -0.052 0.000 0.951 422 R CB -0.272 29.978 30.300 -0.083 0.000 0.851 422 R HN 0.466 nan 8.270 nan 0.000 0.434 423 L N -0.941 120.242 121.223 -0.065 0.000 2.857 423 L HA 0.310 4.681 4.340 0.051 0.000 0.249 423 L C 0.813 177.691 176.870 0.014 0.000 1.172 423 L CA 0.308 55.127 54.840 -0.035 0.000 0.980 423 L CB 1.154 43.179 42.059 -0.056 0.000 1.299 423 L HN 0.593 nan 8.230 nan 0.000 0.535 424 G N 0.083 108.891 108.800 0.015 0.000 2.159 424 G HA2 -0.129 3.862 3.960 0.051 0.000 0.256 424 G HA3 -0.129 3.862 3.960 0.051 0.000 0.256 424 G C 0.478 175.413 174.900 0.058 0.000 0.977 424 G CA 0.102 45.221 45.100 0.031 0.000 0.652 424 G HN 0.789 nan 8.290 nan 0.000 0.531 425 G N -1.511 107.343 108.800 0.091 0.000 2.350 425 G HA2 0.558 4.549 3.960 0.051 0.000 0.282 425 G HA3 0.558 4.549 3.960 0.051 0.000 0.282 425 G C -2.206 172.828 174.900 0.224 0.000 1.314 425 G CA 0.395 45.568 45.100 0.120 0.000 0.915 425 G HN 0.533 nan 8.290 nan 0.000 0.499 426 P HA 0.157 nan 4.420 nan 0.000 0.255 426 P C 0.245 177.569 177.300 0.040 0.000 1.248 426 P CA 0.304 63.514 63.100 0.183 0.000 0.807 426 P CB 0.202 31.962 31.700 0.100 0.000 1.150 427 N N 0.444 119.171 118.700 0.045 0.000 2.327 427 N HA 0.062 4.833 4.740 0.051 0.000 0.231 427 N C 1.036 176.434 175.510 -0.187 0.000 1.130 427 N CA -0.149 52.837 53.050 -0.106 0.000 0.845 427 N CB -0.653 37.799 38.487 -0.059 0.000 1.073 427 N HN 0.281 nan 8.380 nan 0.000 0.496 428 F N 0.665 120.600 119.950 -0.025 0.000 2.365 428 F HA -0.054 4.503 4.527 0.050 0.000 0.300 428 F C 2.241 177.984 175.800 -0.095 0.000 1.090 428 F CA 0.692 58.651 58.000 -0.068 0.000 1.408 428 F CB -0.752 38.222 39.000 -0.042 0.000 1.060 428 F HN 0.162 nan 8.300 nan 0.000 0.534 429 H N 0.565 119.284 119.070 -0.586 0.000 2.521 429 H HA 0.010 4.597 4.556 0.052 0.000 0.286 429 H C 0.878 176.065 175.328 -0.234 0.000 1.034 429 H CA 1.484 57.283 56.048 -0.415 0.000 1.278 429 H CB -0.746 28.633 29.762 -0.638 0.000 1.386 429 H HN 0.535 nan 8.280 nan 0.000 0.567 430 E N 0.863 120.659 120.200 -0.673 0.000 2.478 430 E HA 0.174 4.555 4.350 0.051 0.000 0.194 430 E C 0.401 176.895 176.600 -0.177 0.000 1.045 430 E CA -0.295 55.864 56.400 -0.402 0.000 0.868 430 E CB 0.493 29.974 29.700 -0.365 0.000 0.885 430 E HN 0.428 nan 8.360 nan 0.000 0.505 431 I N 2.625 123.112 120.570 -0.139 0.000 2.683 431 I HA -0.067 4.134 4.170 0.051 0.000 0.286 431 I C -1.541 174.522 176.117 -0.090 0.000 1.175 431 I CA -1.318 59.929 61.300 -0.089 0.000 1.429 431 I CB 0.563 38.520 38.000 -0.072 0.000 1.371 431 I HN -0.186 nan 8.210 nan 0.000 0.569 432 P HA -0.224 nan 4.420 nan 0.000 0.215 432 P C 1.738 178.970 177.300 -0.114 0.000 1.157 432 P CA 1.185 64.232 63.100 -0.087 0.000 0.874 432 P CB 0.167 31.821 31.700 -0.075 0.000 0.790 433 I N -0.495 119.981 120.570 -0.157 0.000 2.335 433 I HA -0.203 3.998 4.170 0.051 0.000 0.251 433 I C 1.304 177.361 176.117 -0.101 0.000 1.129 433 I CA 1.710 62.872 61.300 -0.229 0.000 1.402 433 I CB -0.758 36.999 38.000 -0.406 0.000 1.069 433 I HN -0.102 nan 8.210 nan 0.000 0.424 434 N N 0.676 119.326 118.700 -0.082 0.000 2.467 434 N HA 0.026 4.797 4.740 0.051 0.000 0.184 434 N C 0.279 175.803 175.510 0.024 0.000 1.106 434 N CA 0.204 53.232 53.050 -0.036 0.000 0.892 434 N CB -0.133 38.344 38.487 -0.017 0.000 0.969 434 N HN 0.385 nan 8.380 nan 0.000 0.454 435 R N 1.650 122.161 120.500 0.019 0.000 2.489 435 R HA 0.146 4.517 4.340 0.051 0.000 0.287 435 R C -2.217 174.155 176.300 0.120 0.000 1.053 435 R CA -1.195 54.923 56.100 0.030 0.000 1.036 435 R CB -0.071 30.229 30.300 -0.000 0.000 0.966 435 R HN 0.031 nan 8.270 nan 0.000 0.432 436 P HA -0.025 nan 4.420 nan 0.000 0.269 436 P C 0.601 177.981 177.300 0.133 0.000 1.215 436 P CA 0.010 63.198 63.100 0.147 0.000 0.780 436 P CB 0.698 32.440 31.700 0.070 0.000 0.898 437 T N -1.681 112.966 114.554 0.155 0.000 3.054 437 T HA 0.224 4.605 4.350 0.051 0.000 0.259 437 T C 0.945 175.696 174.700 0.084 0.000 1.092 437 T CA 0.104 62.250 62.100 0.076 0.000 1.121 437 T CB -0.374 68.526 68.868 0.053 0.000 0.912 437 T HN 0.462 nan 8.240 nan 0.000 0.489 438 A N 2.954 125.839 122.820 0.108 0.000 2.425 438 A HA 0.526 4.877 4.320 0.051 0.000 0.242 438 A C -2.201 175.441 177.584 0.097 0.000 1.077 438 A CA -1.228 50.868 52.037 0.098 0.000 0.781 438 A CB -0.472 18.589 19.000 0.101 0.000 1.020 438 A HN 0.278 nan 8.150 nan 0.000 0.494 439 P HA 0.303 nan 4.420 nan 0.000 0.268 439 P C -1.072 176.290 177.300 0.104 0.000 1.205 439 P CA 0.649 63.806 63.100 0.095 0.000 0.771 439 P CB 0.152 31.955 31.700 0.172 0.000 0.858 440 Y N 0.996 121.175 120.300 -0.203 0.000 2.386 440 Y HA 0.666 5.246 4.550 0.051 0.000 0.334 440 Y C -1.387 174.196 175.900 -0.528 0.000 1.002 440 Y CA -0.923 57.044 58.100 -0.222 0.000 1.068 440 Y CB 1.431 39.790 38.460 -0.169 0.000 1.203 440 Y HN 0.439 nan 8.280 nan 0.000 0.443 441 H N 3.940 122.929 119.070 -0.135 0.000 2.947 441 H HA 0.520 5.107 4.556 0.052 0.000 0.354 441 H C -1.172 174.051 175.328 -0.174 0.000 1.085 441 H CA -0.736 55.148 56.048 -0.273 0.000 1.253 441 H CB 1.633 31.259 29.762 -0.226 0.000 1.757 441 H HN 0.903 nan 8.280 nan 0.000 0.523 442 N N 0.517 119.122 118.700 -0.159 0.000 3.441 442 N HA 0.162 4.933 4.740 0.051 0.000 0.313 442 N C -1.215 174.065 175.510 -0.384 0.000 1.526 442 N CA -0.906 51.994 53.050 -0.250 0.000 0.871 442 N CB 0.624 39.120 38.487 0.017 0.000 1.779 442 N HN 0.305 nan 8.380 nan 0.000 0.529 443 F N -0.322 119.673 119.950 0.076 0.000 2.653 443 F HA 0.372 4.929 4.527 0.051 0.000 0.304 443 F C 0.477 176.321 175.800 0.073 0.000 1.092 443 F CA -0.343 57.695 58.000 0.064 0.000 1.279 443 F CB 0.312 39.343 39.000 0.052 0.000 1.044 443 F HN 0.133 nan 8.300 nan 0.000 0.564 444 Q N 1.500 121.409 119.800 0.182 0.000 2.340 444 Q HA 0.441 4.811 4.340 0.051 0.000 0.249 444 Q C -0.000 176.076 176.000 0.128 0.000 0.957 444 Q CA -0.114 55.773 55.803 0.141 0.000 0.882 444 Q CB 1.089 29.883 28.738 0.093 0.000 1.235 444 Q HN 0.084 nan 8.270 nan 0.000 0.439 445 R N 1.667 122.235 120.500 0.113 0.000 2.774 445 R HA 0.359 4.729 4.340 0.051 0.000 0.272 445 R C -0.828 175.521 176.300 0.081 0.000 1.000 445 R CA -0.610 55.549 56.100 0.098 0.000 0.906 445 R CB 1.438 31.798 30.300 0.100 0.000 1.227 445 R HN 0.738 nan 8.270 nan 0.000 0.468 446 D N -0.242 120.199 120.400 0.068 0.000 3.563 446 D HA -0.133 4.538 4.640 0.051 0.000 0.237 446 D C 0.299 176.633 176.300 0.057 0.000 1.680 446 D CA 1.804 55.837 54.000 0.054 0.000 1.151 446 D CB -1.063 39.767 40.800 0.051 0.000 0.751 446 D HN 0.910 nan 8.370 nan 0.000 0.930 447 G N -1.300 107.532 108.800 0.053 0.000 2.712 447 G HA2 0.228 4.219 3.960 0.051 0.000 0.686 447 G HA3 0.228 4.219 3.960 0.051 0.000 0.686 447 G C -0.299 174.636 174.900 0.059 0.000 1.321 447 G CA 0.042 45.177 45.100 0.059 0.000 0.813 447 G HN 0.806 nan 8.290 nan 0.000 0.599 448 M N 1.107 120.748 119.600 0.068 0.000 2.249 448 M HA 0.470 4.980 4.480 0.051 0.000 0.340 448 M C 1.106 177.486 176.300 0.133 0.000 1.166 448 M CA 1.237 56.587 55.300 0.083 0.000 1.115 448 M CB -0.556 32.093 32.600 0.081 0.000 1.606 448 M HN 1.661 nan 8.290 nan 0.000 0.448 449 H N 0.951 120.028 119.070 0.011 0.000 2.626 449 H HA -0.199 4.386 4.556 0.049 0.000 0.317 449 H C -0.629 174.694 175.328 -0.009 0.000 1.140 449 H CA 0.746 56.797 56.048 0.004 0.000 1.134 449 H CB -0.652 29.115 29.762 0.008 0.000 1.486 449 H HN 0.649 nan 8.280 nan 0.000 0.417 450 R N 1.421 121.934 120.500 0.023 0.000 2.446 450 R HA 0.014 4.385 4.340 0.051 0.000 0.314 450 R C 0.984 177.266 176.300 -0.030 0.000 1.003 450 R CA 0.260 56.364 56.100 0.008 0.000 1.018 450 R CB 0.235 30.542 30.300 0.012 0.000 0.945 450 R HN 0.429 nan 8.270 nan 0.000 0.419 451 M N 2.690 122.286 119.600 -0.006 0.000 2.412 451 M HA 0.204 4.714 4.480 0.051 0.000 0.263 451 M C 1.001 177.291 176.300 -0.018 0.000 1.122 451 M CA 1.041 56.332 55.300 -0.015 0.000 1.179 451 M CB -0.737 31.866 32.600 0.005 0.000 1.335 451 M HN 0.686 nan 8.290 nan 0.000 0.465 452 G N 1.575 110.373 108.800 -0.003 0.000 2.403 452 G HA2 0.477 4.467 3.960 0.051 0.000 0.259 452 G HA3 0.477 4.467 3.960 0.051 0.000 0.259 452 G C -0.481 174.411 174.900 -0.012 0.000 1.244 452 G CA -0.446 44.648 45.100 -0.011 0.000 0.849 452 G HN 0.291 nan 8.290 nan 0.000 0.532 453 I N 2.558 123.114 120.570 -0.024 0.000 2.337 453 I HA 0.114 4.315 4.170 0.051 0.000 0.285 453 I C -0.370 175.736 176.117 -0.019 0.000 1.041 453 I CA -0.568 60.722 61.300 -0.017 0.000 1.199 453 I CB 1.095 39.084 38.000 -0.018 0.000 1.370 453 I HN 0.338 nan 8.210 nan 0.000 0.470 454 D N 4.893 125.288 120.400 -0.008 0.000 2.348 454 D HA 0.062 4.733 4.640 0.051 0.000 0.253 454 D C 1.206 177.507 176.300 0.002 0.000 1.161 454 D CA 0.253 54.248 54.000 -0.009 0.000 0.876 454 D CB 1.788 42.591 40.800 0.005 0.000 1.160 454 D HN 0.572 nan 8.370 nan 0.000 0.459 455 T N -0.704 113.847 114.554 -0.006 0.000 3.060 455 T HA -0.059 4.322 4.350 0.051 0.000 0.249 455 T C 0.853 175.560 174.700 0.012 0.000 1.079 455 T CA -0.535 61.566 62.100 0.000 0.000 1.013 455 T CB 0.163 69.023 68.868 -0.012 0.000 0.975 455 T HN 0.110 nan 8.240 nan 0.000 0.518 456 N N 3.398 122.107 118.700 0.014 0.000 2.411 456 N HA 0.082 4.852 4.740 0.051 0.000 0.265 456 N C -1.668 173.882 175.510 0.067 0.000 1.266 456 N CA -1.468 51.605 53.050 0.038 0.000 0.889 456 N CB 1.396 39.907 38.487 0.039 0.000 1.069 456 N HN 0.077 nan 8.380 nan 0.000 0.476 457 P HA -0.029 nan 4.420 nan 0.000 0.221 457 P C -0.578 176.787 177.300 0.108 0.000 1.145 457 P CA 0.905 64.052 63.100 0.079 0.000 0.795 457 P CB 0.221 31.963 31.700 0.070 0.000 0.775 458 A N 0.711 123.589 122.820 0.097 0.000 2.305 458 A HA 0.404 4.755 4.320 0.051 0.000 0.322 458 A C 0.456 178.159 177.584 0.200 0.000 1.187 458 A CA -0.692 51.362 52.037 0.028 0.000 0.825 458 A CB 0.081 18.938 19.000 -0.237 0.000 1.164 458 A HN 0.258 nan 8.150 nan 0.000 0.498 459 N N 0.511 119.372 118.700 0.268 0.000 2.338 459 N HA 0.371 5.141 4.740 0.051 0.000 0.251 459 N C -0.861 174.834 175.510 0.307 0.000 1.199 459 N CA -0.354 52.930 53.050 0.389 0.000 0.879 459 N CB 0.253 38.910 38.487 0.284 0.000 1.159 459 N HN 0.689 nan 8.380 nan 0.000 0.514 460 Y N -1.225 118.962 120.300 -0.189 0.000 2.638 460 Y HA 0.661 5.241 4.550 0.051 0.000 0.335 460 Y C -1.502 173.785 175.900 -1.021 0.000 1.155 460 Y CA -1.404 56.401 58.100 -0.492 0.000 1.046 460 Y CB 1.001 39.330 38.460 -0.218 0.000 1.303 460 Y HN 0.069 nan 8.280 nan 0.000 0.460 461 E N 0.669 120.381 120.200 -0.813 0.000 2.356 461 E HA 0.655 5.036 4.350 0.051 0.000 0.275 461 E C -3.190 173.293 176.600 -0.195 0.000 0.904 461 E CA -2.013 54.005 56.400 -0.638 0.000 0.757 461 E CB 1.630 30.878 29.700 -0.753 0.000 1.232 461 E HN 0.555 nan 8.360 nan 0.000 0.442 462 P HA 0.305 nan 4.420 nan 0.000 0.275 462 P C -1.276 175.973 177.300 -0.086 0.000 1.228 462 P CA -0.437 62.588 63.100 -0.124 0.000 0.786 462 P CB 0.462 32.127 31.700 -0.057 0.000 0.927 463 N N -1.516 117.066 118.700 -0.195 0.000 2.242 463 N HA 0.341 5.112 4.740 0.051 0.000 0.292 463 N C 0.253 175.716 175.510 -0.080 0.000 1.125 463 N CA -0.752 52.197 53.050 -0.169 0.000 0.783 463 N CB 1.437 39.525 38.487 -0.665 0.000 1.558 463 N HN 0.178 nan 8.380 nan 0.000 0.472 464 S N 0.816 116.517 115.700 0.002 0.000 2.492 464 S HA -0.008 4.492 4.470 0.051 0.000 0.218 464 S C 1.518 176.132 174.600 0.023 0.000 1.016 464 S CA 0.086 58.289 58.200 0.006 0.000 0.916 464 S CB -0.781 62.434 63.200 0.025 0.000 0.791 464 S HN 0.715 nan 8.310 nan 0.000 0.513 465 I N -0.845 119.747 120.570 0.036 0.000 3.001 465 I HA 0.262 4.463 4.170 0.051 0.000 0.268 465 I C 1.164 177.314 176.117 0.056 0.000 1.267 465 I CA 1.042 62.376 61.300 0.056 0.000 1.472 465 I CB -0.363 37.690 38.000 0.089 0.000 1.089 465 I HN 0.159 nan 8.210 nan 0.000 0.468 466 N N 1.263 119.993 118.700 0.051 0.000 2.365 466 N HA 0.050 4.821 4.740 0.051 0.000 0.257 466 N C -0.085 175.532 175.510 0.180 0.000 1.287 466 N CA -0.064 53.057 53.050 0.118 0.000 0.882 466 N CB -0.039 38.531 38.487 0.139 0.000 1.250 466 N HN 0.184 nan 8.380 nan 0.000 0.507 467 D N 0.733 121.188 120.400 0.092 0.000 2.811 467 D HA -0.264 4.407 4.640 0.051 0.000 0.231 467 D C -0.047 176.153 176.300 -0.166 0.000 1.157 467 D CA 1.197 55.217 54.000 0.032 0.000 0.716 467 D CB -1.267 39.632 40.800 0.165 0.000 1.077 467 D HN 0.525 nan 8.370 nan 0.000 0.428 468 N N -1.826 116.809 118.700 -0.108 0.000 2.850 468 N HA -0.241 4.529 4.740 0.051 0.000 0.249 468 N C -0.808 174.638 175.510 -0.106 0.000 1.060 468 N CA 1.399 54.353 53.050 -0.160 0.000 0.825 468 N CB -1.347 36.995 38.487 -0.241 0.000 1.132 468 N HN 0.528 nan 8.380 nan 0.000 0.564 469 W N 1.112 122.471 121.300 0.097 0.000 2.381 469 W HA 0.450 5.140 4.660 0.051 0.000 0.329 469 W C -1.650 174.922 176.519 0.089 0.000 1.157 469 W CA -1.636 55.748 57.345 0.065 0.000 1.240 469 W CB 0.599 30.044 29.460 -0.024 0.000 1.199 469 W HN -0.040 nan 8.180 nan 0.000 0.579 470 P HA 0.150 nan 4.420 nan 0.000 0.275 470 P C -0.706 176.740 177.300 0.243 0.000 1.228 470 P CA -0.019 63.223 63.100 0.238 0.000 0.786 470 P CB 0.915 32.596 31.700 -0.033 0.000 0.927 471 R N 1.560 122.176 120.500 0.194 0.000 2.532 471 R HA 0.303 4.674 4.340 0.051 0.000 0.295 471 R C 0.434 176.767 176.300 0.056 0.000 0.968 471 R CA -0.817 55.271 56.100 -0.020 0.000 0.916 471 R CB 1.183 31.244 30.300 -0.399 0.000 1.124 471 R HN 0.504 nan 8.270 nan 0.000 0.463 472 E N 0.793 121.017 120.200 0.039 0.000 2.458 472 E HA -0.013 4.368 4.350 0.051 0.000 0.264 472 E C -0.491 176.133 176.600 0.040 0.000 1.097 472 E CA 0.800 57.232 56.400 0.054 0.000 0.973 472 E CB 0.572 30.293 29.700 0.035 0.000 0.963 472 E HN 0.367 nan 8.360 nan 0.000 0.451 473 T N 3.188 117.776 114.554 0.058 0.000 2.879 473 T HA 0.331 4.712 4.350 0.051 0.000 0.290 473 T C -2.469 172.256 174.700 0.041 0.000 0.993 473 T CA -1.480 60.652 62.100 0.052 0.000 0.975 473 T CB 1.555 70.466 68.868 0.072 0.000 0.981 473 T HN 0.227 nan 8.240 nan 0.000 0.439 474 P HA 0.229 nan 4.420 nan 0.000 0.269 474 P C -2.402 174.904 177.300 0.011 0.000 1.209 474 P CA -1.164 61.944 63.100 0.013 0.000 0.776 474 P CB -0.315 31.388 31.700 0.005 0.000 0.876 475 P HA 0.213 nan 4.420 nan 0.000 0.268 475 P C 0.049 177.337 177.300 -0.019 0.000 1.208 475 P CA 0.486 63.571 63.100 -0.025 0.000 0.777 475 P CB 0.576 32.240 31.700 -0.060 0.000 0.875 476 G N 1.003 109.790 108.800 -0.021 0.000 2.489 476 G HA2 0.386 4.376 3.960 0.051 0.000 0.305 476 G HA3 0.386 4.376 3.960 0.051 0.000 0.305 476 G C -2.602 172.286 174.900 -0.019 0.000 1.311 476 G CA -0.718 44.372 45.100 -0.016 0.000 0.813 476 G HN 0.091 nan 8.290 nan 0.000 0.480 477 P HA 0.109 nan 4.420 nan 0.000 0.217 477 P C 0.091 177.384 177.300 -0.011 0.000 1.150 477 P CA 1.159 64.248 63.100 -0.017 0.000 0.832 477 P CB 0.160 31.853 31.700 -0.012 0.000 0.787 478 K N -1.453 118.948 120.400 0.002 0.000 2.502 478 K HA 0.411 4.762 4.320 0.051 0.000 0.257 478 K C -0.241 176.374 176.600 0.025 0.000 0.938 478 K CA -0.954 55.341 56.287 0.014 0.000 0.819 478 K CB 2.045 34.555 32.500 0.017 0.000 1.333 478 K HN -0.366 nan 8.250 nan 0.000 0.434 479 R N -0.482 120.041 120.500 0.037 0.000 3.758 479 R HA -0.140 4.230 4.340 0.051 0.000 0.299 479 R C -0.013 176.316 176.300 0.050 0.000 1.182 479 R CA 1.009 57.139 56.100 0.050 0.000 0.809 479 R CB -2.245 28.084 30.300 0.048 0.000 1.249 479 R HN 1.020 nan 8.270 nan 0.000 0.497 480 G N -0.934 107.890 108.800 0.040 0.000 2.488 480 G HA2 0.617 4.608 3.960 0.051 0.000 0.318 480 G HA3 0.617 4.608 3.960 0.051 0.000 0.318 480 G C 0.321 175.254 174.900 0.056 0.000 1.188 480 G CA 0.060 45.182 45.100 0.036 0.000 0.944 480 G HN 0.250 nan 8.290 nan 0.000 0.495 481 G N -1.222 107.613 108.800 0.058 0.000 2.527 481 G HA2 0.389 4.380 3.960 0.051 0.000 0.248 481 G HA3 0.389 4.380 3.960 0.051 0.000 0.248 481 G C -0.565 174.392 174.900 0.095 0.000 1.231 481 G CA -0.502 44.655 45.100 0.095 0.000 0.838 481 G HN 0.463 nan 8.290 nan 0.000 0.570 482 F N 0.610 120.577 119.950 0.027 0.000 2.504 482 F HA 0.359 4.917 4.527 0.052 0.000 0.369 482 F C 0.577 176.393 175.800 0.026 0.000 1.082 482 F CA -0.147 57.865 58.000 0.019 0.000 1.216 482 F CB 0.810 39.825 39.000 0.025 0.000 1.108 482 F HN 0.456 nan 8.300 nan 0.000 0.554 483 E N 4.119 123.967 120.200 -0.586 0.000 2.234 483 E HA 0.325 4.706 4.350 0.051 0.000 0.266 483 E C -1.121 175.147 176.600 -0.554 0.000 0.877 483 E CA -0.816 55.383 56.400 -0.333 0.000 0.758 483 E CB 1.524 31.114 29.700 -0.182 0.000 1.170 483 E HN 0.625 nan 8.360 nan 0.000 0.415 484 S N 2.552 118.158 115.700 -0.157 0.000 2.564 484 S HA 0.010 4.511 4.470 0.051 0.000 0.278 484 S C -0.543 174.049 174.600 -0.014 0.000 1.333 484 S CA -0.362 57.829 58.200 -0.016 0.000 1.048 484 S CB 0.157 63.476 63.200 0.199 0.000 0.900 484 S HN 0.470 nan 8.310 nan 0.000 0.505 485 Y N 2.471 122.708 120.300 -0.106 0.000 2.620 485 Y HA -0.004 4.577 4.550 0.051 0.000 0.330 485 Y C 0.849 176.729 175.900 -0.032 0.000 1.186 485 Y CA 0.090 58.138 58.100 -0.087 0.000 1.467 485 Y CB 0.213 38.620 38.460 -0.089 0.000 1.262 485 Y HN 0.587 nan 8.280 nan 0.000 0.550 486 Q N 5.275 124.710 119.800 -0.609 0.000 3.254 486 Q HA 0.026 4.397 4.340 0.051 0.000 0.315 486 Q C -0.235 175.459 176.000 -0.509 0.000 1.405 486 Q CA -0.078 55.476 55.803 -0.415 0.000 0.966 486 Q CB -0.149 28.412 28.738 -0.296 0.000 1.706 486 Q HN 0.656 nan 8.270 nan 0.000 0.525 487 E N 1.444 121.416 120.200 -0.380 0.000 2.392 487 E HA 0.016 4.396 4.350 0.051 0.000 0.264 487 E C -0.176 176.382 176.600 -0.070 0.000 1.024 487 E CA -0.447 55.856 56.400 -0.163 0.000 0.903 487 E CB 0.684 30.439 29.700 0.092 0.000 0.963 487 E HN 0.191 nan 8.360 nan 0.000 0.432 488 R N 2.768 123.254 120.500 -0.023 0.000 2.390 488 R HA 0.257 4.628 4.340 0.051 0.000 0.291 488 R C -1.513 174.807 176.300 0.033 0.000 1.070 488 R CA -0.325 55.775 56.100 -0.001 0.000 1.014 488 R CB 0.932 31.241 30.300 0.016 0.000 1.007 488 R HN 0.278 nan 8.270 nan 0.000 0.466 489 V N 4.552 124.479 119.914 0.022 0.000 2.487 489 V HA 0.446 4.597 4.120 0.051 0.000 0.298 489 V C -0.612 175.494 176.094 0.020 0.000 1.028 489 V CA -0.612 61.706 62.300 0.029 0.000 0.860 489 V CB 1.406 33.243 31.823 0.024 0.000 0.991 489 V HN 0.906 nan 8.190 nan 0.000 0.427 490 E N 2.974 123.188 120.200 0.023 0.000 2.307 490 E HA 0.670 5.051 4.350 0.051 0.000 0.280 490 E C -0.453 176.152 176.600 0.008 0.000 0.900 490 E CA -0.112 56.295 56.400 0.013 0.000 0.790 490 E CB 2.100 31.808 29.700 0.013 0.000 1.261 490 E HN 1.017 nan 8.360 nan 0.000 0.405 491 G N 2.695 111.495 108.800 0.000 0.000 2.337 491 G HA2 0.057 4.048 3.960 0.051 0.000 0.298 491 G HA3 0.057 4.048 3.960 0.051 0.000 0.298 491 G C -1.479 173.415 174.900 -0.011 0.000 1.335 491 G CA -0.998 44.098 45.100 -0.006 0.000 0.875 491 G HN 0.432 nan 8.290 nan 0.000 0.579 492 N N 0.252 118.943 118.700 -0.016 0.000 2.493 492 N HA 0.331 5.102 4.740 0.051 0.000 0.275 492 N C -0.078 175.419 175.510 -0.022 0.000 1.186 492 N CA -0.240 52.800 53.050 -0.018 0.000 0.978 492 N CB 0.946 39.422 38.487 -0.019 0.000 1.184 492 N HN 0.484 nan 8.380 nan 0.000 0.487 493 K N 0.917 121.303 120.400 -0.023 0.000 2.351 493 K HA 0.162 4.512 4.320 0.051 0.000 0.287 493 K C -0.370 176.208 176.600 -0.036 0.000 1.068 493 K CA -0.109 56.161 56.287 -0.029 0.000 0.998 493 K CB -0.174 32.310 32.500 -0.027 0.000 0.968 493 K HN 0.337 nan 8.250 nan 0.000 0.464 494 V N 0.317 120.205 119.914 -0.044 0.000 2.876 494 V HA 0.465 4.615 4.120 0.051 0.000 0.312 494 V C -0.418 175.636 176.094 -0.067 0.000 1.085 494 V CA -1.355 60.914 62.300 -0.051 0.000 0.945 494 V CB 1.994 33.788 31.823 -0.049 0.000 1.017 494 V HN 0.601 nan 8.190 nan 0.000 0.428 495 R N 2.403 122.859 120.500 -0.073 0.000 2.565 495 R HA 0.579 4.950 4.340 0.051 0.000 0.286 495 R C -0.448 175.803 176.300 -0.081 0.000 1.256 495 R CA -0.091 55.954 56.100 -0.093 0.000 1.238 495 R CB 0.672 30.904 30.300 -0.113 0.000 1.153 495 R HN 0.935 nan 8.270 nan 0.000 0.553 496 E N 2.002 122.151 120.200 -0.086 0.000 2.304 496 E HA 0.222 4.602 4.350 0.051 0.000 0.277 496 E C -1.258 175.273 176.600 -0.115 0.000 0.898 496 E CA -1.008 55.344 56.400 -0.080 0.000 0.764 496 E CB 1.577 31.236 29.700 -0.069 0.000 1.216 496 E HN 0.142 nan 8.360 nan 0.000 0.419 497 R N 1.758 122.196 120.500 -0.104 0.000 2.438 497 R HA 0.225 4.595 4.340 0.051 0.000 0.287 497 R C -0.512 175.670 176.300 -0.196 0.000 1.077 497 R CA 0.090 56.089 56.100 -0.167 0.000 1.034 497 R CB 1.193 31.454 30.300 -0.065 0.000 0.993 497 R HN 0.386 nan 8.270 nan 0.000 0.459 498 S N 4.672 120.140 115.700 -0.387 0.000 2.549 498 S HA 0.114 4.615 4.470 0.051 0.000 0.286 498 S C -1.554 173.024 174.600 -0.037 0.000 1.314 498 S CA -1.256 56.808 58.200 -0.227 0.000 1.062 498 S CB 0.709 63.721 63.200 -0.313 0.000 0.865 498 S HN 0.541 nan 8.310 nan 0.000 0.498 499 P HA -0.124 nan 4.420 nan 0.000 0.217 499 P C 1.578 178.936 177.300 0.097 0.000 1.148 499 P CA 1.321 64.447 63.100 0.044 0.000 0.828 499 P CB -0.083 31.631 31.700 0.023 0.000 0.783 500 S N -1.993 113.805 115.700 0.163 0.000 2.469 500 S HA -0.128 4.373 4.470 0.051 0.000 0.238 500 S C 1.476 176.251 174.600 0.291 0.000 0.998 500 S CA 0.912 59.244 58.200 0.219 0.000 0.957 500 S CB -1.403 61.962 63.200 0.276 0.000 0.764 500 S HN -0.023 nan 8.310 nan 0.000 0.514 501 F N 2.213 122.159 119.950 -0.005 0.000 2.797 501 F HA 0.388 4.946 4.527 0.051 0.000 0.302 501 F C 1.947 177.690 175.800 -0.094 0.000 1.130 501 F CA -0.752 57.242 58.000 -0.011 0.000 1.387 501 F CB -0.598 38.426 39.000 0.040 0.000 1.107 501 F HN 0.355 nan 8.300 nan 0.000 0.577 502 G N 0.510 109.319 108.800 0.015 0.000 3.574 502 G HA2 0.114 4.105 3.960 0.051 0.000 0.262 502 G HA3 0.114 4.105 3.960 0.051 0.000 0.262 502 G C -0.052 174.469 174.900 -0.631 0.000 1.231 502 G CA 0.111 45.058 45.100 -0.256 0.000 1.608 502 G HN 0.065 nan 8.290 nan 0.000 0.628 503 E N 0.025 119.748 120.200 -0.795 0.000 2.290 503 E HA 0.338 4.719 4.350 0.051 0.000 0.274 503 E C -0.954 175.206 176.600 -0.734 0.000 0.889 503 E CA -0.716 55.267 56.400 -0.695 0.000 0.760 503 E CB 1.642 31.186 29.700 -0.258 0.000 1.206 503 E HN 0.190 nan 8.360 nan 0.000 0.419 504 Y N 2.342 122.421 120.300 -0.368 0.000 2.499 504 Y HA 0.205 4.785 4.550 0.051 0.000 0.253 504 Y C 0.687 176.288 175.900 -0.498 0.000 1.105 504 Y CA -0.117 57.661 58.100 -0.537 0.000 1.240 504 Y CB 0.444 38.421 38.460 -0.806 0.000 1.289 504 Y HN 0.422 nan 8.280 nan 0.000 0.534 505 Y N -1.341 119.036 120.300 0.127 0.000 2.483 505 Y HA 0.091 4.672 4.550 0.051 0.000 0.258 505 Y C 2.394 178.352 175.900 0.095 0.000 1.083 505 Y CA 0.231 58.403 58.100 0.120 0.000 1.283 505 Y CB -0.299 38.236 38.460 0.125 0.000 1.178 505 Y HN 0.043 nan 8.280 nan 0.000 0.515 506 S N -0.759 115.069 115.700 0.213 0.000 2.387 506 S HA -0.173 4.328 4.470 0.051 0.000 0.226 506 S C 1.420 176.099 174.600 0.132 0.000 1.026 506 S CA 1.548 59.857 58.200 0.183 0.000 0.972 506 S CB -0.522 62.787 63.200 0.183 0.000 0.814 506 S HN 0.414 nan 8.310 nan 0.000 0.477 507 H N 2.717 121.695 119.070 -0.153 0.000 2.363 507 H HA 0.213 4.800 4.556 0.051 0.000 0.301 507 H C -0.672 174.456 175.328 -0.334 0.000 1.074 507 H CA 1.086 56.897 56.048 -0.394 0.000 1.354 507 H CB -1.731 27.544 29.762 -0.811 0.000 1.397 507 H HN 0.363 nan 8.280 nan 0.000 0.516 508 P HA -0.190 nan 4.420 nan 0.000 0.216 508 P C 1.489 178.976 177.300 0.310 0.000 1.153 508 P CA 1.791 65.042 63.100 0.252 0.000 0.858 508 P CB 0.087 31.958 31.700 0.286 0.000 0.789 509 R N -0.450 120.182 120.500 0.220 0.000 2.075 509 R HA -0.108 4.263 4.340 0.051 0.000 0.232 509 R C 2.171 178.600 176.300 0.215 0.000 1.126 509 R CA 1.084 57.319 56.100 0.226 0.000 0.963 509 R CB -1.092 29.305 30.300 0.161 0.000 0.858 509 R HN 0.057 nan 8.270 nan 0.000 0.435 510 L N 0.511 121.803 121.223 0.115 0.000 2.042 510 L HA -0.125 4.246 4.340 0.051 0.000 0.210 510 L C 1.991 178.918 176.870 0.094 0.000 1.076 510 L CA 1.716 56.588 54.840 0.053 0.000 0.749 510 L CB -0.686 41.329 42.059 -0.075 0.000 0.893 510 L HN 0.253 nan 8.230 nan 0.000 0.432 511 F N -0.594 119.386 119.950 0.050 0.000 2.069 511 F HA -0.303 4.255 4.527 0.051 0.000 0.298 511 F C 2.353 178.160 175.800 0.011 0.000 1.113 511 F CA 2.346 60.360 58.000 0.023 0.000 1.214 511 F CB -0.693 38.363 39.000 0.094 0.000 0.978 511 F HN 0.391 nan 8.300 nan 0.000 0.474 512 W N 1.306 122.598 121.300 -0.014 0.000 2.318 512 W HA -0.253 4.437 4.660 0.051 0.000 0.313 512 W C 1.713 178.119 176.519 -0.188 0.000 1.221 512 W CA 1.796 59.086 57.345 -0.092 0.000 1.266 512 W CB -0.680 28.813 29.460 0.055 0.000 1.150 512 W HN 0.113 nan 8.180 nan 0.000 0.496 513 L N 0.977 122.125 121.223 -0.126 0.000 2.291 513 L HA -0.129 4.242 4.340 0.051 0.000 0.214 513 L C 2.371 179.054 176.870 -0.312 0.000 1.120 513 L CA 0.988 55.686 54.840 -0.237 0.000 0.799 513 L CB -0.628 41.421 42.059 -0.017 0.000 0.925 513 L HN -0.153 nan 8.230 nan 0.000 0.446 514 S N -1.275 114.225 115.700 -0.332 0.000 2.562 514 S HA 0.036 4.536 4.470 0.051 0.000 0.221 514 S C 0.709 175.021 174.600 -0.480 0.000 0.975 514 S CA 0.142 58.137 58.200 -0.343 0.000 0.918 514 S CB -0.011 63.020 63.200 -0.282 0.000 0.772 514 S HN 0.302 nan 8.310 nan 0.000 0.531 515 Q N 2.300 121.715 119.800 -0.641 0.000 2.299 515 Q HA 0.258 4.629 4.340 0.051 0.000 0.246 515 Q C 0.660 176.271 176.000 -0.648 0.000 0.935 515 Q CA -0.083 55.300 55.803 -0.699 0.000 0.887 515 Q CB 0.427 28.690 28.738 -0.791 0.000 1.223 515 Q HN 0.435 nan 8.270 nan 0.000 0.439 516 T N -1.459 112.675 114.554 -0.700 0.000 2.748 516 T HA 0.121 4.502 4.350 0.051 0.000 0.304 516 T C -1.722 172.530 174.700 -0.748 0.000 1.041 516 T CA -1.198 60.450 62.100 -0.753 0.000 1.033 516 T CB 0.265 68.427 68.868 -1.176 0.000 0.995 516 T HN 0.229 nan 8.240 nan 0.000 0.536 517 P HA -0.002 nan 4.420 nan 0.000 0.217 517 P C 1.401 178.513 177.300 -0.312 0.000 1.150 517 P CA 0.986 63.879 63.100 -0.346 0.000 0.832 517 P CB -0.237 31.375 31.700 -0.148 0.000 0.787 518 F N -0.192 119.573 119.950 -0.308 0.000 2.259 518 F HA 0.023 4.580 4.527 0.051 0.000 0.298 518 F C 1.833 177.287 175.800 -0.576 0.000 1.088 518 F CA 0.912 58.665 58.000 -0.411 0.000 1.358 518 F CB -1.576 37.166 39.000 -0.430 0.000 1.040 518 F HN -0.105 nan 8.300 nan 0.000 0.505 519 E N 0.521 120.188 120.200 -0.888 0.000 2.110 519 E HA -0.212 4.168 4.350 0.051 0.000 0.193 519 E C 2.227 178.644 176.600 -0.305 0.000 0.988 519 E CA 1.397 57.482 56.400 -0.524 0.000 0.804 519 E CB -0.266 29.061 29.700 -0.622 0.000 0.745 519 E HN 0.626 nan 8.360 nan 0.000 0.458 520 Q N 0.221 119.755 119.800 -0.443 0.000 2.084 520 Q HA -0.213 4.157 4.340 0.051 0.000 0.202 520 Q C 2.237 178.278 176.000 0.068 0.000 0.978 520 Q CA 1.293 56.872 55.803 -0.374 0.000 0.844 520 Q CB -0.128 28.117 28.738 -0.823 0.000 0.898 520 Q HN -0.004 nan 8.270 nan 0.000 0.426 521 R N 0.369 120.880 120.500 0.017 0.000 2.091 521 R HA -0.154 4.217 4.340 0.051 0.000 0.238 521 R C 1.637 178.136 176.300 0.331 0.000 1.136 521 R CA 1.915 58.120 56.100 0.174 0.000 0.959 521 R CB -0.463 29.916 30.300 0.133 0.000 0.856 521 R HN 0.477 nan 8.270 nan 0.000 0.437 522 H N -0.870 118.295 119.070 0.159 0.000 2.389 522 H HA -0.002 4.585 4.556 0.051 0.000 0.299 522 H C 2.042 177.485 175.328 0.192 0.000 1.081 522 H CA 1.170 57.324 56.048 0.177 0.000 1.345 522 H CB 0.042 29.913 29.762 0.181 0.000 1.393 522 H HN 0.178 nan 8.280 nan 0.000 0.520 523 I N 0.225 121.016 120.570 0.369 0.000 2.142 523 I HA -0.274 3.926 4.170 0.051 0.000 0.240 523 I C 2.368 178.772 176.117 0.478 0.000 1.078 523 I CA 0.866 62.416 61.300 0.417 0.000 1.343 523 I CB -0.208 38.136 38.000 0.574 0.000 1.046 523 I HN 0.064 nan 8.210 nan 0.000 0.405 524 V N 0.929 121.118 119.914 0.459 0.000 2.252 524 V HA -0.347 3.804 4.120 0.051 0.000 0.249 524 V C 2.065 178.328 176.094 0.283 0.000 1.056 524 V CA 2.228 64.740 62.300 0.353 0.000 1.022 524 V CB -0.693 31.301 31.823 0.286 0.000 0.641 524 V HN 0.437 nan 8.190 nan 0.000 0.445 525 D N 0.205 120.753 120.400 0.248 0.000 2.178 525 D HA -0.085 4.586 4.640 0.051 0.000 0.202 525 D C 2.135 178.502 176.300 0.113 0.000 0.974 525 D CA 1.453 55.562 54.000 0.181 0.000 0.841 525 D CB -0.544 40.360 40.800 0.173 0.000 0.953 525 D HN 0.490 nan 8.370 nan 0.000 0.478 526 G N 0.466 109.315 108.800 0.081 0.000 2.511 526 G HA2 -0.270 3.720 3.960 0.051 0.000 0.216 526 G HA3 -0.270 3.720 3.960 0.051 0.000 0.216 526 G C 1.452 176.344 174.900 -0.013 0.000 1.218 526 G CA 0.283 45.340 45.100 -0.072 0.000 0.788 526 G HN 0.168 nan 8.290 nan 0.000 0.560 527 F N 1.686 121.663 119.950 0.045 0.000 2.161 527 F HA -0.098 4.460 4.527 0.052 0.000 0.300 527 F C 3.181 178.886 175.800 -0.158 0.000 1.089 527 F CA 1.632 59.587 58.000 -0.077 0.000 1.282 527 F CB -0.283 38.685 39.000 -0.055 0.000 1.010 527 F HN 0.091 nan 8.300 nan 0.000 0.485 528 S N -0.321 115.471 115.700 0.152 0.000 2.355 528 S HA -0.179 4.321 4.470 0.051 0.000 0.222 528 S C 1.867 176.486 174.600 0.031 0.000 1.031 528 S CA 1.084 59.322 58.200 0.063 0.000 0.993 528 S CB -0.715 62.544 63.200 0.099 0.000 0.859 528 S HN 0.392 nan 8.310 nan 0.000 0.453 529 F N 2.713 122.618 119.950 -0.075 0.000 2.075 529 F HA -0.128 4.430 4.527 0.051 0.000 0.297 529 F C 2.405 178.137 175.800 -0.114 0.000 1.113 529 F CA 1.575 59.521 58.000 -0.089 0.000 1.218 529 F CB -0.287 38.602 39.000 -0.185 0.000 0.984 529 F HN 0.121 nan 8.300 nan 0.000 0.472 530 E N 0.580 120.756 120.200 -0.041 0.000 2.085 530 E HA -0.238 4.142 4.350 0.051 0.000 0.194 530 E C 2.332 178.727 176.600 -0.343 0.000 0.994 530 E CA 1.749 58.083 56.400 -0.110 0.000 0.801 530 E CB -0.571 29.185 29.700 0.093 0.000 0.743 530 E HN 0.494 nan 8.360 nan 0.000 0.453 531 L N 0.794 121.745 121.223 -0.453 0.000 2.291 531 L HA -0.083 4.287 4.340 0.051 0.000 0.214 531 L C 2.375 179.084 176.870 -0.269 0.000 1.120 531 L CA 0.499 55.061 54.840 -0.463 0.000 0.799 531 L CB -0.108 41.699 42.059 -0.420 0.000 0.925 531 L HN -0.013 nan 8.230 nan 0.000 0.446 532 S N -0.515 115.038 115.700 -0.245 0.000 2.453 532 S HA -0.046 4.455 4.470 0.051 0.000 0.231 532 S C 1.630 176.112 174.600 -0.197 0.000 1.005 532 S CA 0.775 58.858 58.200 -0.197 0.000 0.949 532 S CB -0.004 63.075 63.200 -0.201 0.000 0.774 532 S HN 0.294 nan 8.310 nan 0.000 0.510 533 K N 1.318 121.574 120.400 -0.241 0.000 2.444 533 K HA 0.216 4.567 4.320 0.051 0.000 0.193 533 K C -0.024 176.569 176.600 -0.011 0.000 1.024 533 K CA 0.097 56.308 56.287 -0.127 0.000 1.077 533 K CB -0.049 32.369 32.500 -0.137 0.000 0.833 533 K HN 0.198 nan 8.250 nan 0.000 0.517 534 V N 2.040 121.928 119.914 -0.044 0.000 2.432 534 V HA 0.016 4.167 4.120 0.051 0.000 0.271 534 V C 1.693 177.772 176.094 -0.025 0.000 1.046 534 V CA -0.126 62.176 62.300 0.004 0.000 0.945 534 V CB 1.471 33.270 31.823 -0.040 0.000 0.992 534 V HN -0.128 nan 8.190 nan 0.000 0.471 535 V N 5.134 125.054 119.914 0.010 0.000 2.548 535 V HA -0.025 4.126 4.120 0.051 0.000 0.249 535 V C 1.271 177.348 176.094 -0.028 0.000 1.055 535 V CA 1.243 63.545 62.300 0.003 0.000 1.065 535 V CB -0.448 31.394 31.823 0.033 0.000 0.681 535 V HN 0.763 nan 8.190 nan 0.000 0.462 536 R N 0.747 121.201 120.500 -0.078 0.000 2.210 536 R HA 0.212 4.582 4.340 0.051 0.000 0.338 536 R C -1.789 174.386 176.300 -0.208 0.000 1.062 536 R CA -1.496 54.528 56.100 -0.127 0.000 0.902 536 R CB 0.656 30.819 30.300 -0.229 0.000 1.050 536 R HN 0.201 nan 8.270 nan 0.000 0.461 537 P HA -0.223 nan 4.420 nan 0.000 0.216 537 P C 0.777 178.039 177.300 -0.063 0.000 1.150 537 P CA 1.215 64.284 63.100 -0.051 0.000 0.837 537 P CB -0.001 31.710 31.700 0.019 0.000 0.786 538 Y N -1.307 118.995 120.300 0.003 0.000 2.315 538 Y HA -0.136 4.445 4.550 0.051 0.000 0.288 538 Y C 1.917 177.825 175.900 0.013 0.000 1.154 538 Y CA 0.850 58.952 58.100 0.004 0.000 1.229 538 Y CB -1.806 36.656 38.460 0.005 0.000 0.980 538 Y HN -0.081 nan 8.280 nan 0.000 0.540 539 I N 0.895 121.061 120.570 -0.673 0.000 2.252 539 I HA -0.233 3.967 4.170 0.051 0.000 0.245 539 I C 2.514 178.548 176.117 -0.137 0.000 1.102 539 I CA 1.329 62.394 61.300 -0.391 0.000 1.385 539 I CB -0.373 37.390 38.000 -0.396 0.000 1.064 539 I HN 0.182 nan 8.210 nan 0.000 0.414 540 R N 0.841 121.250 120.500 -0.152 0.000 2.091 540 R HA -0.196 4.175 4.340 0.051 0.000 0.238 540 R C 2.089 178.346 176.300 -0.072 0.000 1.136 540 R CA 1.522 57.549 56.100 -0.123 0.000 0.959 540 R CB -0.461 29.760 30.300 -0.131 0.000 0.856 540 R HN 0.466 nan 8.270 nan 0.000 0.437 541 E N 0.538 120.718 120.200 -0.035 0.000 2.051 541 E HA -0.149 4.232 4.350 0.051 0.000 0.192 541 E C 2.150 178.760 176.600 0.018 0.000 0.991 541 E CA 0.981 57.380 56.400 -0.001 0.000 0.799 541 E CB -0.033 29.689 29.700 0.037 0.000 0.748 541 E HN 0.276 nan 8.360 nan 0.000 0.449 542 R N 0.350 120.877 120.500 0.046 0.000 2.096 542 R HA -0.118 4.253 4.340 0.051 0.000 0.235 542 R C 2.388 178.720 176.300 0.053 0.000 1.127 542 R CA 1.125 57.264 56.100 0.066 0.000 0.968 542 R CB -0.273 30.088 30.300 0.101 0.000 0.861 542 R HN 0.068 nan 8.270 nan 0.000 0.440 543 V N 0.222 120.162 119.914 0.042 0.000 2.323 543 V HA -0.187 3.963 4.120 0.051 0.000 0.244 543 V C 2.317 178.398 176.094 -0.021 0.000 1.041 543 V CA 1.409 63.746 62.300 0.061 0.000 1.025 543 V CB -0.268 31.613 31.823 0.098 0.000 0.656 543 V HN 0.111 nan 8.190 nan 0.000 0.451 544 V N 0.672 120.546 119.914 -0.067 0.000 2.324 544 V HA -0.367 3.783 4.120 0.051 0.000 0.250 544 V C 2.328 178.383 176.094 -0.065 0.000 1.060 544 V CA 2.617 64.854 62.300 -0.104 0.000 1.042 544 V CB -0.749 31.018 31.823 -0.094 0.000 0.650 544 V HN 0.679 nan 8.190 nan 0.000 0.450 545 D N -0.888 119.508 120.400 -0.008 0.000 2.133 545 D HA -0.215 4.455 4.640 0.051 0.000 0.195 545 D C 2.257 178.638 176.300 0.136 0.000 0.997 545 D CA 1.263 55.289 54.000 0.044 0.000 0.840 545 D CB -0.044 40.801 40.800 0.075 0.000 0.947 545 D HN 0.341 nan 8.370 nan 0.000 0.452 546 Q N -0.063 119.798 119.800 0.101 0.000 2.061 546 Q HA -0.132 4.239 4.340 0.051 0.000 0.204 546 Q C 2.580 178.615 176.000 0.058 0.000 0.984 546 Q CA 0.891 56.766 55.803 0.120 0.000 0.846 546 Q CB -0.562 28.260 28.738 0.140 0.000 0.902 546 Q HN 0.468 nan 8.270 nan 0.000 0.421 547 L N -0.067 121.120 121.223 -0.060 0.000 2.191 547 L HA -0.105 4.266 4.340 0.051 0.000 0.212 547 L C 2.251 179.006 176.870 -0.191 0.000 1.103 547 L CA 0.906 55.632 54.840 -0.190 0.000 0.769 547 L CB -0.595 41.244 42.059 -0.367 0.000 0.908 547 L HN 0.098 nan 8.230 nan 0.000 0.438 548 A N -0.958 121.770 122.820 -0.152 0.000 2.119 548 A HA -0.159 4.192 4.320 0.051 0.000 0.217 548 A C 1.713 179.116 177.584 -0.301 0.000 1.153 548 A CA 0.912 52.820 52.037 -0.215 0.000 0.692 548 A CB -0.667 18.210 19.000 -0.205 0.000 0.799 548 A HN 0.423 nan 8.150 nan 0.000 0.458 549 H N -1.184 117.681 119.070 -0.342 0.000 2.551 549 H HA 0.249 4.835 4.556 0.051 0.000 0.266 549 H C 1.538 176.577 175.328 -0.481 0.000 0.977 549 H CA 0.975 56.679 56.048 -0.573 0.000 1.163 549 H CB 0.098 29.143 29.762 -1.196 0.000 1.381 549 H HN 0.497 nan 8.280 nan 0.000 0.581 550 I N -1.172 119.295 120.570 -0.171 0.000 2.726 550 I HA 0.067 4.268 4.170 0.051 0.000 0.243 550 I C -0.108 175.940 176.117 -0.116 0.000 1.082 550 I CA 0.475 61.743 61.300 -0.054 0.000 1.447 550 I CB 0.657 38.653 38.000 -0.007 0.000 1.250 550 I HN 0.088 nan 8.210 nan 0.000 0.453 551 D N -0.319 119.939 120.400 -0.237 0.000 2.861 551 D HA 0.168 4.839 4.640 0.051 0.000 0.216 551 D C 0.360 176.495 176.300 -0.274 0.000 1.323 551 D CA -0.336 53.508 54.000 -0.260 0.000 0.917 551 D CB 1.420 41.945 40.800 -0.458 0.000 1.582 551 D HN 0.007 nan 8.370 nan 0.000 0.576 552 L N 2.887 124.008 121.223 -0.170 0.000 2.042 552 L HA -0.126 4.245 4.340 0.051 0.000 0.210 552 L C 1.382 178.174 176.870 -0.130 0.000 1.076 552 L CA 1.803 56.557 54.840 -0.144 0.000 0.749 552 L CB -0.373 41.631 42.059 -0.092 0.000 0.893 552 L HN 0.583 nan 8.230 nan 0.000 0.432 553 T N 0.617 115.119 114.554 -0.085 0.000 2.674 553 T HA -0.236 4.145 4.350 0.051 0.000 0.265 553 T C 1.783 176.424 174.700 -0.099 0.000 1.039 553 T CA 1.724 63.815 62.100 -0.015 0.000 1.150 553 T CB -0.410 68.540 68.868 0.136 0.000 0.864 553 T HN 0.321 nan 8.240 nan 0.000 0.427 554 L N 1.678 122.684 121.223 -0.362 0.000 1.990 554 L HA -0.071 4.300 4.340 0.051 0.000 0.213 554 L C 2.570 179.216 176.870 -0.373 0.000 1.072 554 L CA 2.300 56.760 54.840 -0.635 0.000 0.755 554 L CB -1.177 40.065 42.059 -1.362 0.000 0.889 554 L HN 0.220 nan 8.230 nan 0.000 0.432 555 A N -1.051 121.564 122.820 -0.341 0.000 1.858 555 A HA -0.271 4.080 4.320 0.051 0.000 0.216 555 A C 2.232 179.716 177.584 -0.167 0.000 1.190 555 A CA 1.939 53.821 52.037 -0.258 0.000 0.617 555 A CB -0.777 18.089 19.000 -0.224 0.000 0.827 555 A HN 0.699 nan 8.150 nan 0.000 0.443 556 Q N -0.790 118.935 119.800 -0.124 0.000 2.096 556 Q HA -0.160 4.211 4.340 0.051 0.000 0.204 556 Q C 2.419 178.389 176.000 -0.049 0.000 0.982 556 Q CA 1.455 57.214 55.803 -0.073 0.000 0.850 556 Q CB -0.395 28.314 28.738 -0.048 0.000 0.901 556 Q HN 0.706 nan 8.270 nan 0.000 0.422 557 A N 0.142 122.937 122.820 -0.041 0.000 1.902 557 A HA -0.137 4.213 4.320 0.051 0.000 0.217 557 A C 2.302 179.885 177.584 -0.002 0.000 1.181 557 A CA 1.353 53.393 52.037 0.006 0.000 0.623 557 A CB -0.624 18.411 19.000 0.059 0.000 0.818 557 A HN 0.217 nan 8.150 nan 0.000 0.443 558 V N -0.073 119.811 119.914 -0.050 0.000 2.307 558 V HA -0.236 3.915 4.120 0.051 0.000 0.245 558 V C 3.067 179.127 176.094 -0.056 0.000 1.045 558 V CA 1.855 64.122 62.300 -0.054 0.000 1.024 558 V CB -1.341 30.394 31.823 -0.146 0.000 0.651 558 V HN 0.611 nan 8.190 nan 0.000 0.449 559 A N 0.075 122.851 122.820 -0.073 0.000 1.917 559 A HA -0.335 4.016 4.320 0.051 0.000 0.219 559 A C 2.332 179.897 177.584 -0.032 0.000 1.182 559 A CA 2.534 54.536 52.037 -0.058 0.000 0.633 559 A CB -0.552 18.412 19.000 -0.061 0.000 0.819 559 A HN 0.568 nan 8.150 nan 0.000 0.448 560 K N -0.472 119.917 120.400 -0.019 0.000 2.057 560 K HA -0.168 4.183 4.320 0.051 0.000 0.207 560 K C 1.541 178.145 176.600 0.007 0.000 1.049 560 K CA 1.590 57.876 56.287 -0.002 0.000 0.931 560 K CB -0.199 32.307 32.500 0.009 0.000 0.714 560 K HN 0.430 nan 8.250 nan 0.000 0.440 561 N N 0.624 119.331 118.700 0.012 0.000 2.381 561 N HA -0.105 4.666 4.740 0.051 0.000 0.182 561 N C 1.209 176.721 175.510 0.004 0.000 1.025 561 N CA 0.906 53.969 53.050 0.022 0.000 0.888 561 N CB 0.086 38.599 38.487 0.044 0.000 0.965 561 N HN 0.284 nan 8.380 nan 0.000 0.438 562 L N -0.825 120.389 121.223 -0.015 0.000 2.640 562 L HA 0.261 4.632 4.340 0.051 0.000 0.230 562 L C 0.874 177.730 176.870 -0.022 0.000 1.123 562 L CA -0.132 54.690 54.840 -0.030 0.000 0.900 562 L CB -0.040 41.986 42.059 -0.055 0.000 1.146 562 L HN 0.056 nan 8.230 nan 0.000 0.484 563 G N 1.721 110.514 108.800 -0.013 0.000 2.273 563 G HA2 -0.287 3.703 3.960 0.051 0.000 0.280 563 G HA3 -0.287 3.703 3.960 0.051 0.000 0.280 563 G C -0.004 174.889 174.900 -0.013 0.000 1.047 563 G CA 0.164 45.258 45.100 -0.008 0.000 0.869 563 G HN 0.331 nan 8.290 nan 0.000 0.502 564 I N -0.189 120.369 120.570 -0.020 0.000 2.441 564 I HA 0.406 4.607 4.170 0.051 0.000 0.295 564 I C 0.258 176.362 176.117 -0.023 0.000 0.994 564 I CA -0.694 60.592 61.300 -0.022 0.000 1.144 564 I CB 1.666 39.646 38.000 -0.033 0.000 1.314 564 I HN 0.080 nan 8.210 nan 0.000 0.445 565 E N 6.022 126.211 120.200 -0.019 0.000 2.171 565 E HA 0.446 4.827 4.350 0.051 0.000 0.271 565 E C -1.028 175.556 176.600 -0.026 0.000 0.916 565 E CA -0.775 55.612 56.400 -0.021 0.000 0.774 565 E CB 2.198 31.889 29.700 -0.014 0.000 1.128 565 E HN 0.413 nan 8.360 nan 0.000 0.403 566 L N 2.810 124.012 121.223 -0.035 0.000 2.453 566 L HA 0.096 4.467 4.340 0.051 0.000 0.272 566 L C 1.165 178.014 176.870 -0.036 0.000 1.182 566 L CA -0.169 54.645 54.840 -0.043 0.000 0.858 566 L CB 0.137 42.161 42.059 -0.057 0.000 1.120 566 L HN 0.644 nan 8.230 nan 0.000 0.474 567 T N -2.061 112.472 114.554 -0.035 0.000 2.813 567 T HA 0.026 4.406 4.350 0.051 0.000 0.297 567 T C 0.785 175.463 174.700 -0.036 0.000 1.036 567 T CA -0.719 61.363 62.100 -0.030 0.000 1.044 567 T CB 0.939 69.793 68.868 -0.024 0.000 0.993 567 T HN 0.517 nan 8.240 nan 0.000 0.535 568 D N 0.520 120.902 120.400 -0.030 0.000 2.123 568 D HA -0.098 4.573 4.640 0.051 0.000 0.196 568 D C 1.774 178.049 176.300 -0.042 0.000 0.992 568 D CA 1.266 55.246 54.000 -0.032 0.000 0.833 568 D CB -0.285 40.501 40.800 -0.024 0.000 0.954 568 D HN 0.612 nan 8.370 nan 0.000 0.455 569 D N 0.400 120.776 120.400 -0.040 0.000 2.104 569 D HA -0.143 4.527 4.640 0.051 0.000 0.194 569 D C 2.088 178.340 176.300 -0.080 0.000 0.994 569 D CA 0.833 54.803 54.000 -0.049 0.000 0.830 569 D CB -0.279 40.500 40.800 -0.035 0.000 0.959 569 D HN 0.362 nan 8.370 nan 0.000 0.452 570 Q N -0.291 119.459 119.800 -0.083 0.000 2.170 570 Q HA -0.108 4.263 4.340 0.051 0.000 0.203 570 Q C 1.932 177.853 176.000 -0.131 0.000 0.976 570 Q CA 0.542 56.270 55.803 -0.124 0.000 0.858 570 Q CB 0.029 28.707 28.738 -0.100 0.000 0.907 570 Q HN 0.162 nan 8.270 nan 0.000 0.433 571 L N 0.363 121.531 121.223 -0.093 0.000 2.362 571 L HA -0.116 4.255 4.340 0.051 0.000 0.219 571 L C 0.688 177.508 176.870 -0.083 0.000 1.134 571 L CA 1.604 56.395 54.840 -0.081 0.000 0.807 571 L CB -0.401 41.624 42.059 -0.056 0.000 0.927 571 L HN 0.200 nan 8.230 nan 0.000 0.447 572 N N -1.511 117.137 118.700 -0.088 0.000 2.204 572 N HA 0.213 4.984 4.740 0.051 0.000 0.219 572 N C 0.070 175.521 175.510 -0.099 0.000 1.151 572 N CA -0.146 52.858 53.050 -0.077 0.000 0.867 572 N CB 0.488 38.942 38.487 -0.054 0.000 1.043 572 N HN 0.145 nan 8.380 nan 0.000 0.516 573 I N 1.665 122.143 120.570 -0.154 0.000 2.662 573 I HA -0.051 4.150 4.170 0.051 0.000 0.285 573 I C 0.295 176.322 176.117 -0.150 0.000 1.161 573 I CA 0.281 61.456 61.300 -0.208 0.000 1.415 573 I CB 0.276 38.023 38.000 -0.420 0.000 1.385 573 I HN 0.070 nan 8.210 nan 0.000 0.552 574 T N 8.064 122.558 114.554 -0.100 0.000 2.853 574 T HA 0.148 4.529 4.350 0.051 0.000 0.298 574 T C -1.969 172.698 174.700 -0.054 0.000 0.978 574 T CA -0.852 61.215 62.100 -0.056 0.000 1.152 574 T CB 0.048 68.903 68.868 -0.022 0.000 0.914 574 T HN 0.387 nan 8.240 nan 0.000 0.539 575 P HA 0.165 nan 4.420 nan 0.000 0.268 575 P C -2.272 175.045 177.300 0.027 0.000 1.208 575 P CA -1.225 61.864 63.100 -0.018 0.000 0.777 575 P CB -0.465 31.237 31.700 0.002 0.000 0.875 576 P HA 0.148 nan 4.420 nan 0.000 0.269 576 P C -2.320 175.036 177.300 0.093 0.000 1.215 576 P CA -1.176 61.993 63.100 0.116 0.000 0.780 576 P CB -0.897 30.917 31.700 0.190 0.000 0.898 577 P HA 0.034 nan 4.420 nan 0.000 0.270 577 P C -0.376 176.975 177.300 0.085 0.000 1.223 577 P CA 0.068 63.216 63.100 0.080 0.000 0.785 577 P CB 0.291 32.039 31.700 0.081 0.000 0.923 578 D N -0.031 120.412 120.400 0.071 0.000 2.363 578 D HA 0.116 4.787 4.640 0.051 0.000 0.240 578 D C -0.303 176.047 176.300 0.083 0.000 1.236 578 D CA -0.384 53.655 54.000 0.065 0.000 0.927 578 D CB -0.144 40.687 40.800 0.051 0.000 1.150 578 D HN 0.017 nan 8.370 nan 0.000 0.458 579 V N 1.368 121.322 119.914 0.066 0.000 2.334 579 V HA 0.149 4.300 4.120 0.051 0.000 0.267 579 V C -0.073 176.111 176.094 0.150 0.000 1.040 579 V CA -0.815 61.552 62.300 0.111 0.000 0.866 579 V CB -0.509 31.286 31.823 -0.046 0.000 1.019 579 V HN 0.686 nan 8.190 nan 0.000 0.468 580 N N 4.570 123.381 118.700 0.186 0.000 2.699 580 N HA -0.231 4.539 4.740 0.051 0.000 0.256 580 N C 1.200 176.779 175.510 0.114 0.000 0.993 580 N CA 1.136 54.284 53.050 0.162 0.000 0.759 580 N CB -0.848 37.782 38.487 0.238 0.000 0.906 580 N HN 1.304 nan 8.380 nan 0.000 0.541 581 G N -2.017 106.834 108.800 0.085 0.000 2.205 581 G HA2 -0.333 3.658 3.960 0.051 0.000 0.261 581 G HA3 -0.333 3.658 3.960 0.051 0.000 0.261 581 G C 0.124 175.055 174.900 0.053 0.000 0.980 581 G CA 0.360 45.497 45.100 0.061 0.000 0.632 581 G HN 0.419 nan 8.290 nan 0.000 0.533 582 L N 0.071 121.328 121.223 0.057 0.000 2.305 582 L HA 0.460 4.831 4.340 0.051 0.000 0.281 582 L C 1.335 178.219 176.870 0.023 0.000 1.085 582 L CA -0.222 54.640 54.840 0.037 0.000 0.813 582 L CB 1.343 43.424 42.059 0.036 0.000 1.157 582 L HN 0.059 nan 8.230 nan 0.000 0.436 583 K N 3.020 123.429 120.400 0.014 0.000 2.373 583 K HA 0.162 4.513 4.320 0.051 0.000 0.202 583 K C -0.618 175.975 176.600 -0.011 0.000 1.025 583 K CA 0.012 56.304 56.287 0.009 0.000 1.115 583 K CB 0.453 32.960 32.500 0.010 0.000 0.858 583 K HN 0.546 nan 8.250 nan 0.000 0.525 584 K N -0.874 119.515 120.400 -0.020 0.000 2.736 584 K HA 0.198 4.548 4.320 0.051 0.000 0.290 584 K C -2.130 174.450 176.600 -0.034 0.000 1.033 584 K CA -0.992 55.267 56.287 -0.046 0.000 0.852 584 K CB 1.029 33.484 32.500 -0.075 0.000 1.494 584 K HN -0.237 nan 8.250 nan 0.000 0.378 585 D N 1.389 121.761 120.400 -0.046 0.000 2.479 585 D HA 0.321 4.991 4.640 0.051 0.000 0.246 585 D C -2.250 174.029 176.300 -0.035 0.000 1.336 585 D CA -1.958 52.032 54.000 -0.016 0.000 0.967 585 D CB 2.181 42.992 40.800 0.018 0.000 1.275 585 D HN 0.232 nan 8.370 nan 0.000 0.577 586 P HA -0.068 nan 4.420 nan 0.000 0.230 586 P C 1.255 178.541 177.300 -0.024 0.000 1.158 586 P CA 0.665 63.730 63.100 -0.058 0.000 0.769 586 P CB 0.202 31.878 31.700 -0.040 0.000 0.807 587 S N -1.152 114.566 115.700 0.030 0.000 2.537 587 S HA -0.058 4.443 4.470 0.051 0.000 0.240 587 S C 1.534 176.208 174.600 0.124 0.000 0.981 587 S CA 0.786 59.039 58.200 0.089 0.000 0.948 587 S CB -1.304 61.974 63.200 0.130 0.000 0.759 587 S HN 0.165 nan 8.310 nan 0.000 0.531 588 L N 1.059 122.309 121.223 0.044 0.000 2.567 588 L HA 0.266 4.637 4.340 0.051 0.000 0.225 588 L C 1.275 178.017 176.870 -0.212 0.000 1.119 588 L CA -0.025 54.832 54.840 0.030 0.000 0.871 588 L CB -0.033 42.035 42.059 0.015 0.000 1.036 588 L HN 0.309 nan 8.230 nan 0.000 0.459 589 S N -0.370 115.201 115.700 -0.215 0.000 2.554 589 S HA 0.321 4.822 4.470 0.051 0.000 0.278 589 S C 1.083 175.548 174.600 -0.226 0.000 1.242 589 S CA -0.636 57.380 58.200 -0.308 0.000 1.051 589 S CB 1.362 64.384 63.200 -0.297 0.000 0.986 589 S HN 0.175 nan 8.310 nan 0.000 0.502 590 L N 3.385 124.390 121.223 -0.364 0.000 2.141 590 L HA -0.019 4.351 4.340 0.051 0.000 0.209 590 L C 0.782 177.367 176.870 -0.475 0.000 1.094 590 L CA 1.247 55.771 54.840 -0.526 0.000 0.763 590 L CB -0.261 41.181 42.059 -1.028 0.000 0.908 590 L HN 0.779 nan 8.230 nan 0.000 0.437 591 Y N -2.705 117.580 120.300 -0.025 0.000 2.448 591 Y HA 0.330 4.910 4.550 0.051 0.000 0.257 591 Y C 2.085 177.998 175.900 0.023 0.000 1.089 591 Y CA -0.197 57.940 58.100 0.061 0.000 1.245 591 Y CB -0.473 38.061 38.460 0.124 0.000 1.282 591 Y HN -0.061 nan 8.280 nan 0.000 0.529 592 A N 0.723 123.562 122.820 0.031 0.000 1.948 592 A HA -0.109 4.242 4.320 0.051 0.000 0.220 592 A C 0.891 178.507 177.584 0.054 0.000 1.177 592 A CA 1.355 53.385 52.037 -0.012 0.000 0.636 592 A CB -0.761 18.181 19.000 -0.095 0.000 0.815 592 A HN 0.312 nan 8.150 nan 0.000 0.449 593 I N 0.589 121.201 120.570 0.070 0.000 2.405 593 I HA 0.255 4.456 4.170 0.051 0.000 0.280 593 I C -2.539 173.650 176.117 0.119 0.000 1.027 593 I CA -2.170 59.178 61.300 0.080 0.000 1.161 593 I CB 1.690 39.723 38.000 0.056 0.000 1.300 593 I HN -0.028 nan 8.210 nan 0.000 0.463 594 P HA -0.028 nan 4.420 nan 0.000 0.261 594 P C -0.456 176.921 177.300 0.129 0.000 1.173 594 P CA 0.336 63.533 63.100 0.160 0.000 0.760 594 P CB 0.355 32.134 31.700 0.131 0.000 0.783 595 D N 1.404 121.890 120.400 0.142 0.000 2.865 595 D HA 0.137 4.807 4.640 0.051 0.000 0.347 595 D C 0.456 176.817 176.300 0.101 0.000 1.498 595 D CA -0.473 53.591 54.000 0.107 0.000 0.787 595 D CB -0.382 40.475 40.800 0.096 0.000 1.190 595 D HN 0.315 nan 8.370 nan 0.000 0.445 596 G N 0.026 108.895 108.800 0.115 0.000 2.544 596 G HA2 0.377 4.368 3.960 0.051 0.000 0.242 596 G HA3 0.377 4.368 3.960 0.051 0.000 0.242 596 G C -0.650 174.288 174.900 0.063 0.000 1.247 596 G CA -0.052 45.108 45.100 0.101 0.000 0.840 596 G HN 0.199 nan 8.290 nan 0.000 0.578 597 D N 0.110 120.539 120.400 0.049 0.000 2.891 597 D HA 0.145 4.816 4.640 0.051 0.000 0.224 597 D C 0.812 177.124 176.300 0.019 0.000 1.321 597 D CA -0.531 53.484 54.000 0.025 0.000 0.929 597 D CB 1.789 42.598 40.800 0.014 0.000 1.551 597 D HN 0.355 nan 8.370 nan 0.000 0.574 598 V N 1.764 121.682 119.914 0.007 0.000 3.541 598 V HA 0.265 4.415 4.120 0.051 0.000 0.267 598 V C 1.004 177.080 176.094 -0.031 0.000 1.213 598 V CA 0.096 62.396 62.300 -0.001 0.000 1.149 598 V CB -0.625 31.193 31.823 -0.008 0.000 0.822 598 V HN 0.406 nan 8.190 nan 0.000 0.462 599 K N 1.428 121.803 120.400 -0.041 0.000 2.447 599 K HA 0.379 4.729 4.320 0.051 0.000 0.281 599 K C 1.274 177.831 176.600 -0.073 0.000 1.031 599 K CA 1.033 57.273 56.287 -0.078 0.000 1.019 599 K CB 0.065 32.525 32.500 -0.066 0.000 0.918 599 K HN 0.715 nan 8.250 nan 0.000 0.476 600 G N 3.232 111.951 108.800 -0.135 0.000 2.176 600 G HA2 -0.228 3.763 3.960 0.051 0.000 0.253 600 G HA3 -0.228 3.763 3.960 0.051 0.000 0.253 600 G C 0.124 175.059 174.900 0.058 0.000 0.979 600 G CA -0.147 44.940 45.100 -0.022 0.000 0.641 600 G HN 0.571 nan 8.290 nan 0.000 0.530 601 R N -0.281 120.227 120.500 0.013 0.000 2.822 601 R HA 0.650 5.020 4.340 0.051 0.000 0.277 601 R C 0.203 176.555 176.300 0.086 0.000 1.102 601 R CA 0.032 56.172 56.100 0.067 0.000 1.207 601 R CB 0.680 31.013 30.300 0.055 0.000 1.139 601 R HN 0.707 nan 8.270 nan 0.000 0.557 602 V N 0.182 120.167 119.914 0.118 0.000 2.841 602 V HA 0.463 4.614 4.120 0.051 0.000 0.310 602 V C -1.148 175.011 176.094 0.109 0.000 1.090 602 V CA -0.743 61.642 62.300 0.142 0.000 0.930 602 V CB 2.528 34.461 31.823 0.183 0.000 1.014 602 V HN 0.349 nan 8.190 nan 0.000 0.425 603 V N 5.465 125.438 119.914 0.098 0.000 2.495 603 V HA 0.800 4.951 4.120 0.051 0.000 0.298 603 V C 0.453 176.601 176.094 0.090 0.000 1.031 603 V CA -0.214 62.134 62.300 0.080 0.000 0.871 603 V CB 1.695 33.550 31.823 0.054 0.000 0.988 603 V HN 1.191 nan 8.190 nan 0.000 0.432 604 A N 6.010 128.890 122.820 0.100 0.000 2.362 604 A HA 0.745 5.096 4.320 0.051 0.000 0.276 604 A C -0.366 177.229 177.584 0.018 0.000 1.153 604 A CA -0.238 51.841 52.037 0.070 0.000 0.813 604 A CB -0.006 19.058 19.000 0.108 0.000 1.081 604 A HN 0.771 nan 8.150 nan 0.000 0.507 605 I N 3.585 124.159 120.570 0.007 0.000 2.328 605 I HA 0.150 4.351 4.170 0.051 0.000 0.287 605 I C -0.912 175.207 176.117 0.004 0.000 1.012 605 I CA -0.743 60.563 61.300 0.010 0.000 1.195 605 I CB 1.276 39.294 38.000 0.030 0.000 1.350 605 I HN 0.352 nan 8.210 nan 0.000 0.464 606 L N 7.708 128.925 121.223 -0.010 0.000 2.342 606 L HA 0.343 4.714 4.340 0.051 0.000 0.285 606 L C 0.184 177.145 176.870 0.151 0.000 1.095 606 L CA 0.247 55.130 54.840 0.070 0.000 0.843 606 L CB 0.101 42.088 42.059 -0.121 0.000 1.201 606 L HN 0.426 nan 8.230 nan 0.000 0.445 607 L N 3.567 124.928 121.223 0.230 0.000 2.439 607 L HA 0.457 4.828 4.340 0.051 0.000 0.259 607 L C 0.186 177.240 176.870 0.307 0.000 1.129 607 L CA -0.712 54.229 54.840 0.169 0.000 0.803 607 L CB 1.150 43.226 42.059 0.028 0.000 1.161 607 L HN 0.738 nan 8.230 nan 0.000 0.462 608 N N -2.215 116.573 118.700 0.146 0.000 2.571 608 N HA 0.200 4.971 4.740 0.051 0.000 0.273 608 N C -0.242 175.248 175.510 -0.033 0.000 1.340 608 N CA -0.762 52.410 53.050 0.205 0.000 0.789 608 N CB 0.757 39.363 38.487 0.198 0.000 1.514 608 N HN 0.536 nan 8.380 nan 0.000 0.499 609 D N -1.548 118.873 120.400 0.035 0.000 2.378 609 D HA -0.126 4.545 4.640 0.051 0.000 0.222 609 D C -0.265 176.003 176.300 -0.053 0.000 0.980 609 D CA 1.030 54.990 54.000 -0.066 0.000 0.907 609 D CB -0.001 40.834 40.800 0.057 0.000 0.899 609 D HN 0.774 nan 8.370 nan 0.000 0.527 610 E N 0.256 120.443 120.200 -0.022 0.000 3.544 610 E HA 0.238 4.619 4.350 0.051 0.000 0.264 610 E C -1.184 175.406 176.600 -0.016 0.000 1.225 610 E CA -0.409 55.978 56.400 -0.022 0.000 1.045 610 E CB 0.735 30.429 29.700 -0.009 0.000 1.338 610 E HN -0.114 nan 8.360 nan 0.000 0.395 611 V N 1.996 121.892 119.914 -0.029 0.000 2.788 611 V HA -0.001 4.150 4.120 0.051 0.000 0.307 611 V C 0.867 176.947 176.094 -0.022 0.000 1.069 611 V CA 0.426 62.715 62.300 -0.019 0.000 1.173 611 V CB 0.732 32.540 31.823 -0.024 0.000 0.925 611 V HN 0.504 nan 8.190 nan 0.000 0.492 612 R N 3.184 123.671 120.500 -0.021 0.000 2.357 612 R HA 0.071 4.442 4.340 0.051 0.000 0.330 612 R C 1.579 177.859 176.300 -0.034 0.000 1.102 612 R CA 0.447 56.529 56.100 -0.030 0.000 0.974 612 R CB 0.329 30.607 30.300 -0.037 0.000 1.002 612 R HN 1.004 nan 8.270 nan 0.000 0.463 613 S N 3.195 118.876 115.700 -0.031 0.000 2.400 613 S HA -0.238 4.263 4.470 0.051 0.000 0.232 613 S C 1.956 176.537 174.600 -0.031 0.000 1.025 613 S CA 0.986 59.169 58.200 -0.028 0.000 0.993 613 S CB -0.138 63.047 63.200 -0.025 0.000 0.808 613 S HN 0.688 nan 8.310 nan 0.000 0.478 614 A N 2.157 124.955 122.820 -0.036 0.000 1.930 614 A HA -0.089 4.261 4.320 0.051 0.000 0.217 614 A C 1.947 179.497 177.584 -0.056 0.000 1.175 614 A CA 1.570 53.583 52.037 -0.041 0.000 0.627 614 A CB -0.761 18.214 19.000 -0.042 0.000 0.815 614 A HN 0.444 nan 8.150 nan 0.000 0.443 615 D N -0.122 120.234 120.400 -0.073 0.000 2.084 615 D HA -0.126 4.545 4.640 0.051 0.000 0.194 615 D C 1.906 178.170 176.300 -0.060 0.000 0.990 615 D CA 0.843 54.781 54.000 -0.104 0.000 0.826 615 D CB -0.387 40.340 40.800 -0.122 0.000 0.971 615 D HN 0.325 nan 8.370 nan 0.000 0.453 616 L N 0.216 121.418 121.223 -0.035 0.000 2.083 616 L HA -0.170 4.201 4.340 0.051 0.000 0.209 616 L C 2.217 179.084 176.870 -0.006 0.000 1.083 616 L CA 0.725 55.558 54.840 -0.012 0.000 0.752 616 L CB -0.126 41.926 42.059 -0.012 0.000 0.899 616 L HN 0.093 nan 8.230 nan 0.000 0.433 617 L N -0.228 120.987 121.223 -0.013 0.000 2.056 617 L HA -0.121 4.250 4.340 0.051 0.000 0.207 617 L C 2.689 179.559 176.870 0.001 0.000 1.078 617 L CA 1.949 56.786 54.840 -0.006 0.000 0.749 617 L CB -0.784 41.268 42.059 -0.011 0.000 0.901 617 L HN 0.196 nan 8.230 nan 0.000 0.433 618 A N -0.701 122.115 122.820 -0.006 0.000 1.898 618 A HA -0.160 4.191 4.320 0.051 0.000 0.216 618 A C 2.272 179.875 177.584 0.032 0.000 1.181 618 A CA 1.755 53.795 52.037 0.005 0.000 0.620 618 A CB -0.708 18.282 19.000 -0.017 0.000 0.819 618 A HN 0.394 nan 8.150 nan 0.000 0.442 619 I N -0.235 120.358 120.570 0.038 0.000 2.127 619 I HA -0.277 3.923 4.170 0.051 0.000 0.241 619 I C 2.370 178.518 176.117 0.053 0.000 1.075 619 I CA 1.351 62.696 61.300 0.074 0.000 1.334 619 I CB -0.318 37.729 38.000 0.079 0.000 1.040 619 I HN 0.279 nan 8.210 nan 0.000 0.405 620 L N 0.409 121.653 121.223 0.035 0.000 2.141 620 L HA -0.211 4.160 4.340 0.051 0.000 0.209 620 L C 2.604 179.487 176.870 0.023 0.000 1.094 620 L CA 1.203 56.060 54.840 0.029 0.000 0.763 620 L CB -0.603 41.469 42.059 0.023 0.000 0.908 620 L HN 0.277 nan 8.230 nan 0.000 0.437 621 K N 0.733 121.145 120.400 0.021 0.000 2.057 621 K HA -0.157 4.194 4.320 0.051 0.000 0.206 621 K C 2.153 178.763 176.600 0.016 0.000 1.050 621 K CA 1.293 57.590 56.287 0.016 0.000 0.935 621 K CB -0.021 32.487 32.500 0.013 0.000 0.715 621 K HN 0.231 nan 8.250 nan 0.000 0.439 622 A N 1.743 124.578 122.820 0.025 0.000 1.877 622 A HA -0.103 4.248 4.320 0.051 0.000 0.216 622 A C 2.192 179.783 177.584 0.011 0.000 1.186 622 A CA 1.203 53.254 52.037 0.024 0.000 0.620 622 A CB -0.602 18.424 19.000 0.044 0.000 0.822 622 A HN 0.310 nan 8.150 nan 0.000 0.443 623 L N -0.632 120.599 121.223 0.013 0.000 2.017 623 L HA -0.222 4.149 4.340 0.051 0.000 0.208 623 L C 2.659 179.513 176.870 -0.027 0.000 1.073 623 L CA 2.028 56.864 54.840 -0.007 0.000 0.745 623 L CB -0.560 41.503 42.059 0.006 0.000 0.894 623 L HN 0.466 nan 8.230 nan 0.000 0.432 624 K N 0.449 120.842 120.400 -0.011 0.000 2.074 624 K HA -0.232 4.118 4.320 0.051 0.000 0.209 624 K C 2.012 178.598 176.600 -0.024 0.000 1.048 624 K CA 1.638 57.915 56.287 -0.015 0.000 0.926 624 K CB -0.097 32.405 32.500 0.003 0.000 0.713 624 K HN 0.310 nan 8.250 nan 0.000 0.444 625 A N 0.649 123.460 122.820 -0.015 0.000 2.066 625 A HA -0.056 4.295 4.320 0.051 0.000 0.218 625 A C 1.500 179.071 177.584 -0.022 0.000 1.157 625 A CA 1.052 53.082 52.037 -0.013 0.000 0.670 625 A CB 0.006 19.004 19.000 -0.003 0.000 0.804 625 A HN 0.179 nan 8.150 nan 0.000 0.453 626 K N -1.446 118.934 120.400 -0.033 0.000 2.358 626 K HA 0.217 4.568 4.320 0.051 0.000 0.200 626 K C 0.839 177.393 176.600 -0.076 0.000 1.030 626 K CA 0.615 56.877 56.287 -0.043 0.000 1.097 626 K CB 0.464 32.944 32.500 -0.034 0.000 0.862 626 K HN 0.647 nan 8.250 nan 0.000 0.534 627 G N 1.718 110.456 108.800 -0.103 0.000 2.137 627 G HA2 -0.219 3.771 3.960 0.051 0.000 0.237 627 G HA3 -0.219 3.771 3.960 0.051 0.000 0.237 627 G C 0.049 174.751 174.900 -0.330 0.000 1.002 627 G CA 0.061 45.055 45.100 -0.176 0.000 0.702 627 G HN 0.094 nan 8.290 nan 0.000 0.515 628 V N 0.933 120.694 119.914 -0.254 0.000 2.465 628 V HA 0.515 4.666 4.120 0.051 0.000 0.279 628 V C 0.797 176.717 176.094 -0.290 0.000 1.045 628 V CA -0.755 61.387 62.300 -0.262 0.000 0.938 628 V CB 1.040 32.802 31.823 -0.102 0.000 0.986 628 V HN 0.438 nan 8.190 nan 0.000 0.467 629 H N 1.762 120.843 119.070 0.018 0.000 2.508 629 H HA 0.775 5.362 4.556 0.052 0.000 0.358 629 H C 0.220 175.566 175.328 0.031 0.000 1.212 629 H CA 0.144 56.205 56.048 0.022 0.000 1.356 629 H CB 1.200 30.976 29.762 0.023 0.000 1.525 629 H HN 0.874 nan 8.280 nan 0.000 0.578 630 A N 1.019 123.947 122.820 0.179 0.000 2.498 630 A HA 0.563 4.914 4.320 0.051 0.000 0.298 630 A C -1.185 176.453 177.584 0.091 0.000 1.075 630 A CA -1.034 51.068 52.037 0.109 0.000 0.714 630 A CB 1.332 20.377 19.000 0.075 0.000 1.299 630 A HN 0.788 nan 8.150 nan 0.000 0.407 631 K N 2.004 122.448 120.400 0.074 0.000 2.471 631 K HA 0.661 5.012 4.320 0.051 0.000 0.252 631 K C -1.673 174.946 176.600 0.032 0.000 0.938 631 K CA -0.529 55.789 56.287 0.053 0.000 0.796 631 K CB 1.504 34.043 32.500 0.064 0.000 1.161 631 K HN 0.513 nan 8.250 nan 0.000 0.425 632 L N 4.469 125.702 121.223 0.016 0.000 2.283 632 L HA 0.289 4.660 4.340 0.051 0.000 0.287 632 L C -0.746 176.113 176.870 -0.018 0.000 1.073 632 L CA -1.013 53.828 54.840 0.001 0.000 0.822 632 L CB 0.380 42.435 42.059 -0.007 0.000 1.186 632 L HN 0.499 nan 8.230 nan 0.000 0.436 633 L N 4.370 125.578 121.223 -0.024 0.000 2.330 633 L HA 0.599 4.969 4.340 0.051 0.000 0.271 633 L C -0.441 176.333 176.870 -0.160 0.000 1.013 633 L CA -0.326 54.446 54.840 -0.113 0.000 0.816 633 L CB 1.535 43.527 42.059 -0.110 0.000 1.287 633 L HN 0.324 nan 8.230 nan 0.000 0.435 634 Y N -0.932 118.943 120.300 -0.707 0.000 2.900 634 Y HA 0.284 4.865 4.550 0.051 0.000 0.318 634 Y C 0.859 176.046 175.900 -1.188 0.000 1.457 634 Y CA -0.454 57.153 58.100 -0.821 0.000 1.082 634 Y CB 1.292 39.577 38.460 -0.291 0.000 1.419 634 Y HN 0.545 nan 8.280 nan 0.000 0.459 635 S N 0.553 115.434 115.700 -1.366 0.000 2.558 635 S HA 0.272 4.773 4.470 0.051 0.000 0.217 635 S C -0.077 174.272 174.600 -0.418 0.000 0.975 635 S CA 0.307 58.050 58.200 -0.763 0.000 0.912 635 S CB -0.199 62.662 63.200 -0.565 0.000 0.776 635 S HN 0.574 nan 8.310 nan 0.000 0.526 636 R N -1.204 119.128 120.500 -0.281 0.000 2.752 636 R HA 0.619 4.990 4.340 0.051 0.000 0.271 636 R C -0.875 175.430 176.300 0.009 0.000 1.026 636 R CA -1.126 54.931 56.100 -0.073 0.000 0.901 636 R CB 0.412 30.711 30.300 -0.003 0.000 1.243 636 R HN -0.088 nan 8.270 nan 0.000 0.463 637 M N 0.296 119.898 119.600 0.002 0.000 2.055 637 M HA 0.496 5.006 4.480 0.051 0.000 0.279 637 M C 1.043 177.359 176.300 0.027 0.000 1.236 637 M CA 1.091 56.396 55.300 0.008 0.000 1.074 637 M CB 0.547 33.143 32.600 -0.006 0.000 1.394 637 M HN 1.027 nan 8.290 nan 0.000 0.492 638 G N 0.915 109.719 108.800 0.008 0.000 2.659 638 G HA2 -0.090 3.901 3.960 0.051 0.000 0.214 638 G HA3 -0.090 3.901 3.960 0.051 0.000 0.214 638 G C -1.036 173.852 174.900 -0.020 0.000 1.191 638 G CA -0.047 45.053 45.100 0.000 0.000 1.141 638 G HN 0.857 nan 8.290 nan 0.000 0.581 639 E N -0.966 119.212 120.200 -0.037 0.000 2.408 639 E HA 0.693 5.074 4.350 0.051 0.000 0.275 639 E C -0.354 176.170 176.600 -0.127 0.000 0.935 639 E CA -0.693 55.664 56.400 -0.072 0.000 0.775 639 E CB 2.658 32.328 29.700 -0.051 0.000 1.277 639 E HN 1.569 nan 8.360 nan 0.000 0.455 640 V N -1.779 118.025 119.914 -0.184 0.000 3.158 640 V HA 0.774 4.924 4.120 0.051 0.000 0.315 640 V C -0.491 175.521 176.094 -0.137 0.000 1.148 640 V CA -0.658 61.509 62.300 -0.222 0.000 1.042 640 V CB 1.783 33.358 31.823 -0.413 0.000 1.101 640 V HN 0.764 nan 8.190 nan 0.000 0.448 641 T N 1.707 116.192 114.554 -0.115 0.000 2.812 641 T HA 0.790 5.171 4.350 0.051 0.000 0.282 641 T C 0.119 174.779 174.700 -0.066 0.000 0.990 641 T CA 0.232 62.288 62.100 -0.074 0.000 0.960 641 T CB 1.292 70.129 68.868 -0.052 0.000 0.948 641 T HN 1.335 nan 8.240 nan 0.000 0.438 642 A N 2.293 125.080 122.820 -0.054 0.000 2.327 642 A HA 0.374 4.725 4.320 0.051 0.000 0.255 642 A C 1.565 179.130 177.584 -0.033 0.000 1.099 642 A CA -0.310 51.701 52.037 -0.043 0.000 0.801 642 A CB 0.060 19.038 19.000 -0.037 0.000 1.062 642 A HN 0.925 nan 8.150 nan 0.000 0.496 643 D N 0.462 120.845 120.400 -0.028 0.000 2.149 643 D HA -0.237 4.434 4.640 0.051 0.000 0.194 643 D C 0.742 177.030 176.300 -0.021 0.000 1.001 643 D CA 1.770 55.757 54.000 -0.022 0.000 0.849 643 D CB -0.467 40.320 40.800 -0.021 0.000 0.939 643 D HN 0.637 nan 8.370 nan 0.000 0.449 644 D N -1.002 119.385 120.400 -0.022 0.000 2.325 644 D HA 0.166 4.836 4.640 0.051 0.000 0.234 644 D C 1.611 177.900 176.300 -0.019 0.000 1.122 644 D CA 0.529 54.517 54.000 -0.019 0.000 0.850 644 D CB -0.258 40.531 40.800 -0.019 0.000 0.921 644 D HN 0.438 nan 8.370 nan 0.000 0.513 645 G N -0.114 108.672 108.800 -0.022 0.000 2.179 645 G HA2 -0.287 3.704 3.960 0.051 0.000 0.260 645 G HA3 -0.287 3.704 3.960 0.051 0.000 0.260 645 G C 0.468 175.353 174.900 -0.024 0.000 0.977 645 G CA 0.397 45.483 45.100 -0.022 0.000 0.641 645 G HN 0.474 nan 8.290 nan 0.000 0.533 646 T N 0.981 115.520 114.554 -0.025 0.000 2.902 646 T HA 0.400 4.781 4.350 0.051 0.000 0.301 646 T C 0.566 175.246 174.700 -0.034 0.000 1.012 646 T CA 0.096 62.181 62.100 -0.026 0.000 1.151 646 T CB 2.258 71.112 68.868 -0.024 0.000 0.946 646 T HN 0.413 nan 8.240 nan 0.000 0.542 647 V N 5.101 124.996 119.914 -0.032 0.000 2.406 647 V HA 0.251 4.402 4.120 0.051 0.000 0.272 647 V C -0.340 175.729 176.094 -0.041 0.000 1.043 647 V CA -0.748 61.529 62.300 -0.039 0.000 0.915 647 V CB 1.049 32.853 31.823 -0.031 0.000 0.988 647 V HN 0.554 nan 8.190 nan 0.000 0.466 648 L N 9.143 130.331 121.223 -0.058 0.000 2.276 648 L HA 0.517 4.887 4.340 0.051 0.000 0.286 648 L C -2.195 174.637 176.870 -0.063 0.000 1.024 648 L CA -2.533 52.271 54.840 -0.059 0.000 0.826 648 L CB 1.282 43.295 42.059 -0.076 0.000 1.211 648 L HN 0.414 nan 8.230 nan 0.000 0.422 649 P HA 0.282 nan 4.420 nan 0.000 0.280 649 P C -0.301 176.977 177.300 -0.037 0.000 1.244 649 P CA -0.254 62.824 63.100 -0.036 0.000 0.784 649 P CB 1.047 32.735 31.700 -0.021 0.000 0.913 650 I N 2.067 122.615 120.570 -0.036 0.000 2.365 650 I HA 0.213 4.414 4.170 0.051 0.000 0.291 650 I C 1.588 177.693 176.117 -0.020 0.000 1.004 650 I CA -0.375 60.907 61.300 -0.030 0.000 1.311 650 I CB 1.334 39.324 38.000 -0.017 0.000 1.401 650 I HN 0.363 nan 8.210 nan 0.000 0.491 651 A N 5.195 128.004 122.820 -0.018 0.000 1.903 651 A HA 0.561 4.912 4.320 0.051 0.000 0.213 651 A C 0.978 178.555 177.584 -0.012 0.000 1.185 651 A CA 1.229 53.261 52.037 -0.008 0.000 0.628 651 A CB 0.020 19.022 19.000 0.003 0.000 0.830 651 A HN 0.819 nan 8.150 nan 0.000 0.446 652 A N -1.969 120.833 122.820 -0.030 0.000 2.586 652 A HA 0.583 4.934 4.320 0.051 0.000 0.290 652 A C -0.116 177.402 177.584 -0.110 0.000 1.086 652 A CA 0.098 52.113 52.037 -0.037 0.000 0.665 652 A CB -0.108 18.896 19.000 0.007 0.000 1.279 652 A HN 0.731 nan 8.150 nan 0.000 0.423 653 T N -1.519 112.964 114.554 -0.119 0.000 2.902 653 T HA 0.561 4.941 4.350 0.051 0.000 0.280 653 T C 0.952 175.559 174.700 -0.154 0.000 0.992 653 T CA -0.101 61.846 62.100 -0.254 0.000 1.015 653 T CB 0.151 68.929 68.868 -0.150 0.000 1.044 653 T HN 0.480 nan 8.240 nan 0.000 0.520 654 F N 0.766 120.726 119.950 0.016 0.000 2.087 654 F HA -0.126 4.432 4.527 0.051 0.000 0.299 654 F C 2.932 178.857 175.800 0.209 0.000 1.100 654 F CA 1.364 59.424 58.000 0.100 0.000 1.226 654 F CB -0.754 38.288 39.000 0.069 0.000 0.983 654 F HN 0.719 nan 8.300 nan 0.000 0.479 655 A N 0.218 123.196 122.820 0.262 0.000 1.970 655 A HA 0.065 4.415 4.320 0.051 0.000 0.216 655 A C 2.445 180.097 177.584 0.114 0.000 1.170 655 A CA 1.365 53.504 52.037 0.169 0.000 0.645 655 A CB -1.418 17.644 19.000 0.104 0.000 0.816 655 A HN 0.394 nan 8.150 nan 0.000 0.447 656 G N -0.720 108.131 108.800 0.084 0.000 2.422 656 G HA2 0.254 4.244 3.960 0.051 0.000 0.218 656 G HA3 0.254 4.244 3.960 0.051 0.000 0.218 656 G C 0.703 175.652 174.900 0.082 0.000 1.140 656 G CA 0.991 46.125 45.100 0.057 0.000 0.775 656 G HN 1.066 nan 8.290 nan 0.000 0.545 657 A N 0.773 123.676 122.820 0.139 0.000 2.978 657 A HA 0.709 5.060 4.320 0.051 0.000 0.341 657 A C -2.688 175.076 177.584 0.301 0.000 1.105 657 A CA -1.172 50.969 52.037 0.173 0.000 0.819 657 A CB 1.218 20.305 19.000 0.145 0.000 1.080 657 A HN 0.108 nan 8.150 nan 0.000 0.476 658 P HA 0.058 nan 4.420 nan 0.000 0.271 658 P C 1.331 178.489 177.300 -0.237 0.000 1.233 658 P CA 0.225 63.309 63.100 -0.026 0.000 0.789 658 P CB 0.774 32.430 31.700 -0.074 0.000 0.951 659 S N 0.791 115.946 115.700 -0.909 0.000 2.465 659 S HA -0.151 4.349 4.470 0.051 0.000 0.241 659 S C 1.697 176.159 174.600 -0.230 0.000 1.000 659 S CA 1.070 58.890 58.200 -0.635 0.000 0.964 659 S CB -1.325 61.400 63.200 -0.792 0.000 0.763 659 S HN 0.330 nan 8.310 nan 0.000 0.512 660 L N 1.841 122.932 121.223 -0.221 0.000 2.187 660 L HA -0.074 4.297 4.340 0.051 0.000 0.213 660 L C 2.930 179.635 176.870 -0.275 0.000 1.100 660 L CA 1.571 56.277 54.840 -0.224 0.000 0.765 660 L CB -1.287 40.612 42.059 -0.267 0.000 0.904 660 L HN 0.625 nan 8.230 nan 0.000 0.437 661 T N -3.139 111.325 114.554 -0.149 0.000 3.129 661 T HA 0.205 4.585 4.350 0.051 0.000 0.251 661 T C 0.365 175.168 174.700 0.172 0.000 1.117 661 T CA 0.156 62.250 62.100 -0.011 0.000 1.034 661 T CB -0.351 68.600 68.868 0.137 0.000 0.968 661 T HN 0.148 nan 8.240 nan 0.000 0.526 662 V N -2.819 117.154 119.914 0.098 0.000 3.126 662 V HA 0.579 4.729 4.120 0.051 0.000 0.314 662 V C -0.231 175.916 176.094 0.088 0.000 1.138 662 V CA -0.959 61.423 62.300 0.137 0.000 1.034 662 V CB 2.172 34.091 31.823 0.159 0.000 1.075 662 V HN -0.003 nan 8.190 nan 0.000 0.442 663 D N 0.930 121.383 120.400 0.088 0.000 2.366 663 D HA 0.515 5.185 4.640 0.051 0.000 0.205 663 D C 0.535 176.826 176.300 -0.015 0.000 1.022 663 D CA 1.454 55.480 54.000 0.044 0.000 0.868 663 D CB 1.533 42.379 40.800 0.076 0.000 0.953 663 D HN 1.014 nan 8.370 nan 0.000 0.514 664 A N 0.039 122.866 122.820 0.011 0.000 2.586 664 A HA 0.524 4.874 4.320 0.051 0.000 0.291 664 A C -1.660 175.946 177.584 0.036 0.000 1.062 664 A CA -0.556 51.474 52.037 -0.011 0.000 0.666 664 A CB 1.365 20.345 19.000 -0.034 0.000 1.281 664 A HN -0.107 nan 8.150 nan 0.000 0.421 665 V N 0.980 120.909 119.914 0.025 0.000 2.638 665 V HA 0.602 4.753 4.120 0.051 0.000 0.306 665 V C -0.717 175.389 176.094 0.020 0.000 1.052 665 V CA -0.231 62.098 62.300 0.049 0.000 0.885 665 V CB 1.597 33.471 31.823 0.084 0.000 0.999 665 V HN 0.709 nan 8.190 nan 0.000 0.424 666 I N 3.977 124.566 120.570 0.032 0.000 2.509 666 I HA 0.575 4.775 4.170 0.051 0.000 0.293 666 I C -0.925 175.227 176.117 0.058 0.000 1.020 666 I CA -0.995 60.349 61.300 0.074 0.000 1.088 666 I CB 2.360 40.433 38.000 0.121 0.000 1.267 666 I HN 0.271 nan 8.210 nan 0.000 0.430 667 V N 7.181 127.149 119.914 0.089 0.000 2.326 667 V HA 0.337 4.488 4.120 0.051 0.000 0.281 667 V C -2.181 173.975 176.094 0.103 0.000 1.015 667 V CA -1.617 60.724 62.300 0.068 0.000 0.823 667 V CB 1.273 33.118 31.823 0.035 0.000 1.009 667 V HN 0.556 nan 8.190 nan 0.000 0.436 668 P HA 0.385 nan 4.420 nan 0.000 0.274 668 P C -0.039 177.281 177.300 0.033 0.000 1.256 668 P CA -0.149 62.966 63.100 0.025 0.000 0.795 668 P CB 0.930 32.635 31.700 0.008 0.000 1.038 669 A N 0.343 123.157 122.820 -0.010 0.000 2.281 669 A HA 0.621 4.971 4.320 0.051 0.000 0.271 669 A C 0.904 178.494 177.584 0.010 0.000 1.196 669 A CA 0.773 52.811 52.037 0.000 0.000 0.807 669 A CB -1.118 17.861 19.000 -0.034 0.000 1.138 669 A HN 0.873 nan 8.150 nan 0.000 0.506 670 G N -0.755 108.050 108.800 0.007 0.000 2.250 670 G HA2 -0.152 3.839 3.960 0.051 0.000 0.189 670 G HA3 -0.152 3.839 3.960 0.051 0.000 0.189 670 G C -0.032 174.877 174.900 0.016 0.000 1.298 670 G CA 0.029 45.134 45.100 0.008 0.000 1.246 670 G HN 1.096 nan 8.290 nan 0.000 0.513 671 N N 1.645 120.361 118.700 0.027 0.000 3.103 671 N HA 0.138 4.908 4.740 0.051 0.000 0.305 671 N C 1.565 177.107 175.510 0.052 0.000 1.232 671 N CA -0.537 52.533 53.050 0.032 0.000 1.190 671 N CB -0.249 38.261 38.487 0.038 0.000 1.461 671 N HN 0.380 nan 8.380 nan 0.000 0.538 672 I N 1.364 121.952 120.570 0.030 0.000 2.423 672 I HA -0.227 3.974 4.170 0.051 0.000 0.254 672 I C 2.383 178.498 176.117 -0.003 0.000 1.151 672 I CA 0.704 62.021 61.300 0.027 0.000 1.421 672 I CB -1.484 36.487 38.000 -0.048 0.000 1.079 672 I HN 0.418 nan 8.210 nan 0.000 0.431 673 A N 0.658 123.470 122.820 -0.012 0.000 2.019 673 A HA -0.262 4.089 4.320 0.051 0.000 0.219 673 A C 2.083 179.685 177.584 0.029 0.000 1.164 673 A CA 1.912 53.938 52.037 -0.018 0.000 0.644 673 A CB -0.675 18.317 19.000 -0.014 0.000 0.805 673 A HN 0.429 nan 8.150 nan 0.000 0.449 674 D N 0.459 120.903 120.400 0.074 0.000 2.149 674 D HA -0.156 4.515 4.640 0.051 0.000 0.198 674 D C 1.517 177.902 176.300 0.141 0.000 0.990 674 D CA 1.768 55.841 54.000 0.121 0.000 0.839 674 D CB -0.202 40.706 40.800 0.179 0.000 0.948 674 D HN 0.642 nan 8.370 nan 0.000 0.460 675 I N -4.091 116.579 120.570 0.167 0.000 4.154 675 I HA 0.486 4.686 4.170 0.051 0.000 0.334 675 I C 1.818 178.063 176.117 0.213 0.000 1.371 675 I CA -0.078 61.338 61.300 0.193 0.000 1.110 675 I CB 0.119 38.270 38.000 0.251 0.000 1.085 675 I HN -0.082 nan 8.210 nan 0.000 0.398 676 A N 1.552 124.419 122.820 0.078 0.000 2.024 676 A HA -0.143 4.207 4.320 0.051 0.000 0.220 676 A C 1.477 179.062 177.584 0.002 0.000 1.164 676 A CA 1.893 53.870 52.037 -0.100 0.000 0.643 676 A CB -0.397 18.459 19.000 -0.239 0.000 0.806 676 A HN 0.531 nan 8.150 nan 0.000 0.451 677 D N -0.932 119.488 120.400 0.033 0.000 2.479 677 D HA 0.037 4.708 4.640 0.051 0.000 0.218 677 D C -0.141 176.185 176.300 0.044 0.000 1.177 677 D CA -0.237 53.781 54.000 0.030 0.000 0.830 677 D CB -0.189 40.616 40.800 0.009 0.000 1.014 677 D HN 0.290 nan 8.370 nan 0.000 0.503 678 N N 1.334 120.071 118.700 0.061 0.000 2.431 678 N HA 0.019 4.789 4.740 0.051 0.000 0.265 678 N C 1.410 176.938 175.510 0.030 0.000 1.184 678 N CA 0.099 53.174 53.050 0.042 0.000 0.943 678 N CB 1.407 39.913 38.487 0.032 0.000 1.080 678 N HN 0.026 nan 8.380 nan 0.000 0.477 679 G N 3.548 112.370 108.800 0.036 0.000 2.476 679 G HA2 -0.283 3.708 3.960 0.051 0.000 0.218 679 G HA3 -0.283 3.708 3.960 0.051 0.000 0.218 679 G C 1.006 175.941 174.900 0.058 0.000 1.164 679 G CA 0.651 45.775 45.100 0.041 0.000 0.768 679 G HN 0.580 nan 8.290 nan 0.000 0.560 680 D N 0.810 121.244 120.400 0.057 0.000 2.097 680 D HA 0.005 4.676 4.640 0.051 0.000 0.195 680 D C 2.851 179.117 176.300 -0.056 0.000 0.989 680 D CA 1.272 55.336 54.000 0.106 0.000 0.827 680 D CB -0.551 40.385 40.800 0.227 0.000 0.966 680 D HN 0.293 nan 8.370 nan 0.000 0.456 681 A N 1.054 123.637 122.820 -0.394 0.000 1.902 681 A HA -0.198 4.153 4.320 0.051 0.000 0.217 681 A C 2.010 179.351 177.584 -0.405 0.000 1.181 681 A CA 1.337 52.907 52.037 -0.779 0.000 0.623 681 A CB -0.503 17.928 19.000 -0.947 0.000 0.818 681 A HN 0.164 nan 8.150 nan 0.000 0.443 682 N N -1.461 117.151 118.700 -0.147 0.000 2.084 682 N HA -0.192 4.579 4.740 0.051 0.000 0.190 682 N C 1.710 177.193 175.510 -0.044 0.000 1.030 682 N CA 1.847 54.871 53.050 -0.043 0.000 0.849 682 N CB -0.490 38.054 38.487 0.095 0.000 1.012 682 N HN 0.690 nan 8.380 nan 0.000 0.423 683 Y N 0.514 120.768 120.300 -0.077 0.000 2.274 683 Y HA -0.251 4.329 4.550 0.051 0.000 0.290 683 Y C 2.361 178.204 175.900 -0.095 0.000 1.145 683 Y CA 1.127 59.183 58.100 -0.074 0.000 1.203 683 Y CB -0.301 38.125 38.460 -0.056 0.000 0.984 683 Y HN 0.044 nan 8.280 nan 0.000 0.533 684 Y N -0.153 119.997 120.300 -0.251 0.000 2.128 684 Y HA -0.311 4.270 4.550 0.051 0.000 0.284 684 Y C 2.057 177.756 175.900 -0.334 0.000 1.154 684 Y CA 1.733 59.667 58.100 -0.276 0.000 1.149 684 Y CB -0.364 37.948 38.460 -0.247 0.000 0.976 684 Y HN 0.096 nan 8.280 nan 0.000 0.505 685 L N -0.576 120.565 121.223 -0.137 0.000 2.109 685 L HA -0.226 4.145 4.340 0.051 0.000 0.207 685 L C 2.292 179.040 176.870 -0.203 0.000 1.086 685 L CA 1.664 56.410 54.840 -0.157 0.000 0.760 685 L CB -1.489 40.449 42.059 -0.200 0.000 0.910 685 L HN 0.399 nan 8.230 nan 0.000 0.437 686 M N -0.634 118.793 119.600 -0.289 0.000 2.108 686 M HA -0.242 4.269 4.480 0.051 0.000 0.261 686 M C 2.177 178.221 176.300 -0.426 0.000 1.066 686 M CA 1.724 56.843 55.300 -0.301 0.000 1.107 686 M CB -0.431 32.002 32.600 -0.278 0.000 1.356 686 M HN 0.257 nan 8.290 nan 0.000 0.406 687 E N 0.530 120.284 120.200 -0.744 0.000 2.072 687 E HA -0.153 4.227 4.350 0.051 0.000 0.191 687 E C 2.037 178.254 176.600 -0.638 0.000 0.985 687 E CA 1.161 57.069 56.400 -0.820 0.000 0.801 687 E CB 0.032 29.190 29.700 -0.903 0.000 0.750 687 E HN 0.459 nan 8.360 nan 0.000 0.452 688 A N 0.371 122.937 122.820 -0.423 0.000 1.902 688 A HA -0.213 4.138 4.320 0.051 0.000 0.217 688 A C 2.045 179.521 177.584 -0.179 0.000 1.181 688 A CA 1.504 53.397 52.037 -0.241 0.000 0.623 688 A CB -0.922 18.003 19.000 -0.125 0.000 0.818 688 A HN 0.556 nan 8.150 nan 0.000 0.443 689 Y N 0.525 120.664 120.300 -0.269 0.000 2.200 689 Y HA -0.178 4.403 4.550 0.051 0.000 0.290 689 Y C 2.383 178.155 175.900 -0.212 0.000 1.137 689 Y CA 2.263 60.238 58.100 -0.208 0.000 1.163 689 Y CB -0.205 38.149 38.460 -0.176 0.000 0.988 689 Y HN 0.321 nan 8.280 nan 0.000 0.518 690 K N -0.690 119.577 120.400 -0.222 0.000 2.097 690 K HA -0.210 4.141 4.320 0.051 0.000 0.206 690 K C 1.059 177.543 176.600 -0.194 0.000 1.049 690 K CA 1.920 58.052 56.287 -0.258 0.000 0.933 690 K CB -0.427 31.872 32.500 -0.334 0.000 0.717 690 K HN 0.574 nan 8.250 nan 0.000 0.442 691 H N 0.324 119.274 119.070 -0.200 0.000 2.536 691 H HA 0.167 4.754 4.556 0.051 0.000 0.276 691 H C -0.035 175.137 175.328 -0.259 0.000 1.019 691 H CA 0.161 56.091 56.048 -0.196 0.000 1.159 691 H CB 0.095 29.738 29.762 -0.198 0.000 1.373 691 H HN 0.120 nan 8.280 nan 0.000 0.584 692 L N -0.107 120.971 121.223 -0.241 0.000 4.089 692 L HA -0.275 4.095 4.340 0.051 0.000 0.408 692 L C -0.291 176.325 176.870 -0.423 0.000 1.184 692 L CA 0.573 55.178 54.840 -0.390 0.000 0.947 692 L CB -1.795 40.004 42.059 -0.434 0.000 2.066 692 L HN 0.264 nan 8.230 nan 0.000 0.851 693 K N 0.730 120.948 120.400 -0.303 0.000 2.144 693 K HA 0.469 4.820 4.320 0.051 0.000 0.270 693 K C -2.107 174.360 176.600 -0.220 0.000 1.005 693 K CA -1.735 54.394 56.287 -0.263 0.000 0.932 693 K CB 0.633 33.032 32.500 -0.168 0.000 1.021 693 K HN -0.206 nan 8.250 nan 0.000 0.462 694 P HA 0.077 nan 4.420 nan 0.000 0.268 694 P C -0.757 176.480 177.300 -0.104 0.000 1.205 694 P CA 0.319 63.322 63.100 -0.163 0.000 0.771 694 P CB 0.495 32.099 31.700 -0.159 0.000 0.858 695 I N 1.374 121.894 120.570 -0.082 0.000 2.619 695 I HA 0.616 4.816 4.170 0.051 0.000 0.292 695 I C -0.563 175.510 176.117 -0.073 0.000 1.100 695 I CA -0.900 60.372 61.300 -0.047 0.000 1.043 695 I CB 2.304 40.305 38.000 0.000 0.000 1.239 695 I HN 0.262 nan 8.210 nan 0.000 0.420 696 A N 7.533 130.318 122.820 -0.058 0.000 2.343 696 A HA 0.891 5.242 4.320 0.051 0.000 0.308 696 A C -1.210 176.478 177.584 0.173 0.000 1.092 696 A CA -0.411 51.566 52.037 -0.099 0.000 0.751 696 A CB 1.083 19.874 19.000 -0.348 0.000 1.203 696 A HN 0.651 nan 8.150 nan 0.000 0.452 697 L N 2.114 123.504 121.223 0.278 0.000 2.376 697 L HA 0.744 5.114 4.340 0.051 0.000 0.275 697 L C 0.230 177.316 176.870 0.361 0.000 0.987 697 L CA -0.594 54.422 54.840 0.293 0.000 0.828 697 L CB 2.079 44.248 42.059 0.184 0.000 1.249 697 L HN 0.774 nan 8.230 nan 0.000 0.409 698 A N 2.284 125.208 122.820 0.174 0.000 2.304 698 A HA 0.832 5.182 4.320 0.051 0.000 0.323 698 A C 0.670 178.240 177.584 -0.024 0.000 1.195 698 A CA 0.267 52.265 52.037 -0.066 0.000 0.826 698 A CB 1.087 19.884 19.000 -0.339 0.000 1.184 698 A HN 0.994 nan 8.150 nan 0.000 0.496 699 G N 2.040 110.820 108.800 -0.034 0.000 2.634 699 G HA2 -0.352 3.639 3.960 0.051 0.000 0.309 699 G HA3 -0.352 3.639 3.960 0.051 0.000 0.309 699 G C 0.610 175.509 174.900 -0.001 0.000 1.265 699 G CA 0.800 45.886 45.100 -0.023 0.000 0.998 699 G HN 0.707 nan 8.290 nan 0.000 0.551 700 D N 1.190 121.583 120.400 -0.011 0.000 2.311 700 D HA 0.072 4.742 4.640 0.051 0.000 0.212 700 D C 2.645 178.937 176.300 -0.013 0.000 0.972 700 D CA 1.588 55.575 54.000 -0.023 0.000 0.887 700 D CB -0.654 40.126 40.800 -0.033 0.000 0.915 700 D HN 0.771 nan 8.370 nan 0.000 0.497 701 A N 0.774 123.627 122.820 0.056 0.000 2.070 701 A HA -0.184 4.167 4.320 0.051 0.000 0.220 701 A C 2.067 179.754 177.584 0.171 0.000 1.159 701 A CA 0.786 52.928 52.037 0.175 0.000 0.656 701 A CB -0.433 18.695 19.000 0.214 0.000 0.800 701 A HN 0.154 nan 8.150 nan 0.000 0.453 702 R N -0.146 120.406 120.500 0.086 0.000 2.261 702 R HA -0.129 4.242 4.340 0.051 0.000 0.236 702 R C 1.829 178.130 176.300 0.002 0.000 1.141 702 R CA 1.239 57.374 56.100 0.058 0.000 1.001 702 R CB -0.209 30.114 30.300 0.039 0.000 0.866 702 R HN 0.508 nan 8.270 nan 0.000 0.468 703 K N -0.049 120.304 120.400 -0.078 0.000 2.103 703 K HA -0.164 4.187 4.320 0.051 0.000 0.207 703 K C 1.607 178.084 176.600 -0.205 0.000 1.048 703 K CA 1.445 57.617 56.287 -0.191 0.000 0.930 703 K CB -0.185 32.119 32.500 -0.327 0.000 0.716 703 K HN 0.214 nan 8.250 nan 0.000 0.444 704 F N 1.504 121.431 119.950 -0.038 0.000 2.546 704 F HA -0.114 4.444 4.527 0.051 0.000 0.298 704 F C 2.125 177.879 175.800 -0.077 0.000 1.120 704 F CA 0.791 58.756 58.000 -0.057 0.000 1.456 704 F CB -0.072 38.894 39.000 -0.057 0.000 1.088 704 F HN -0.023 nan 8.300 nan 0.000 0.572 705 K N 0.411 120.856 120.400 0.076 0.000 2.113 705 K HA -0.245 4.106 4.320 0.051 0.000 0.208 705 K C 2.359 178.935 176.600 -0.041 0.000 1.047 705 K CA 1.245 57.530 56.287 -0.003 0.000 0.928 705 K CB -0.423 32.070 32.500 -0.011 0.000 0.716 705 K HN 0.274 nan 8.250 nan 0.000 0.446 706 A N 0.357 123.157 122.820 -0.033 0.000 1.948 706 A HA -0.229 4.122 4.320 0.051 0.000 0.220 706 A C 2.233 179.792 177.584 -0.042 0.000 1.177 706 A CA 2.345 54.356 52.037 -0.044 0.000 0.636 706 A CB -0.994 17.977 19.000 -0.049 0.000 0.815 706 A HN 0.357 nan 8.150 nan 0.000 0.449 707 T N -0.126 114.422 114.554 -0.010 0.000 2.951 707 T HA 0.003 4.384 4.350 0.051 0.000 0.268 707 T C 1.310 175.956 174.700 -0.091 0.000 1.073 707 T CA 1.300 63.394 62.100 -0.010 0.000 1.134 707 T CB -0.546 68.365 68.868 0.072 0.000 0.884 707 T HN 0.617 nan 8.240 nan 0.000 0.479 708 I N -2.285 118.177 120.570 -0.179 0.000 3.891 708 I HA 0.469 4.669 4.170 0.051 0.000 0.331 708 I C 0.144 176.028 176.117 -0.388 0.000 1.406 708 I CA -0.532 60.527 61.300 -0.401 0.000 1.139 708 I CB -0.220 37.346 38.000 -0.723 0.000 1.056 708 I HN -0.060 nan 8.210 nan 0.000 0.399 709 K N 1.879 122.162 120.400 -0.196 0.000 3.148 709 K HA -0.115 4.236 4.320 0.051 0.000 0.267 709 K C -0.355 176.171 176.600 -0.122 0.000 0.996 709 K CA 0.461 56.672 56.287 -0.127 0.000 0.737 709 K CB -1.135 31.313 32.500 -0.087 0.000 1.308 709 K HN 0.427 nan 8.250 nan 0.000 0.470 710 I N 0.695 121.188 120.570 -0.128 0.000 2.428 710 I HA 0.288 4.489 4.170 0.051 0.000 0.289 710 I C 1.371 177.464 176.117 -0.041 0.000 1.019 710 I CA -0.647 60.605 61.300 -0.080 0.000 1.351 710 I CB 0.696 38.650 38.000 -0.076 0.000 1.412 710 I HN 0.266 nan 8.210 nan 0.000 0.513 711 A N 4.663 127.471 122.820 -0.020 0.000 2.366 711 A HA 0.140 4.491 4.320 0.051 0.000 0.249 711 A C 0.993 178.572 177.584 -0.009 0.000 1.084 711 A CA -0.261 51.769 52.037 -0.012 0.000 0.794 711 A CB 0.124 19.122 19.000 -0.003 0.000 1.034 711 A HN 0.759 nan 8.150 nan 0.000 0.491 712 D N 0.216 120.611 120.400 -0.008 0.000 2.149 712 D HA -0.204 4.467 4.640 0.051 0.000 0.198 712 D C 2.064 178.364 176.300 0.000 0.000 0.990 712 D CA 1.970 55.967 54.000 -0.005 0.000 0.839 712 D CB -0.203 40.593 40.800 -0.006 0.000 0.948 712 D HN 0.823 nan 8.370 nan 0.000 0.460 713 Q N 0.660 120.461 119.800 0.001 0.000 2.437 713 Q HA 0.052 4.423 4.340 0.051 0.000 0.210 713 Q C 0.955 176.958 176.000 0.005 0.000 0.972 713 Q CA 0.984 56.789 55.803 0.004 0.000 0.903 713 Q CB -0.178 28.562 28.738 0.004 0.000 0.967 713 Q HN 0.126 nan 8.270 nan 0.000 0.486 714 G N 1.395 110.198 108.800 0.004 0.000 2.829 714 G HA2 -0.257 3.734 3.960 0.051 0.000 0.628 714 G HA3 -0.257 3.734 3.960 0.051 0.000 0.628 714 G C -1.021 173.883 174.900 0.007 0.000 1.412 714 G CA -0.145 44.958 45.100 0.006 0.000 0.864 714 G HN 0.675 nan 8.290 nan 0.000 0.544 715 E N -0.685 119.521 120.200 0.010 0.000 2.383 715 E HA 0.576 4.957 4.350 0.051 0.000 0.275 715 E C -0.700 175.899 176.600 -0.002 0.000 0.918 715 E CA -1.104 55.304 56.400 0.012 0.000 0.764 715 E CB 1.572 31.293 29.700 0.035 0.000 1.252 715 E HN 0.386 nan 8.360 nan 0.000 0.449 716 E N 0.985 121.176 120.200 -0.015 0.000 2.585 716 E HA 0.169 4.549 4.350 0.051 0.000 0.252 716 E C 0.780 177.344 176.600 -0.060 0.000 0.981 716 E CA 1.579 57.956 56.400 -0.039 0.000 0.943 716 E CB 0.785 30.459 29.700 -0.042 0.000 0.923 716 E HN 0.931 nan 8.360 nan 0.000 0.486 717 G N 3.085 111.837 108.800 -0.079 0.000 2.211 717 G HA2 -0.185 3.806 3.960 0.051 0.000 0.201 717 G HA3 -0.185 3.806 3.960 0.051 0.000 0.201 717 G C 0.099 174.953 174.900 -0.077 0.000 0.997 717 G CA -0.487 44.546 45.100 -0.112 0.000 0.652 717 G HN 0.411 nan 8.290 nan 0.000 0.500 718 I N 2.351 122.897 120.570 -0.041 0.000 2.354 718 I HA 0.467 4.668 4.170 0.051 0.000 0.286 718 I C 0.433 176.510 176.117 -0.067 0.000 1.007 718 I CA -1.030 60.252 61.300 -0.030 0.000 1.167 718 I CB 1.230 39.240 38.000 0.017 0.000 1.320 718 I HN -0.114 nan 8.210 nan 0.000 0.458 719 V N 7.448 127.281 119.914 -0.135 0.000 2.498 719 V HA 0.385 4.536 4.120 0.051 0.000 0.279 719 V C 0.258 176.283 176.094 -0.114 0.000 1.048 719 V CA -0.401 61.771 62.300 -0.214 0.000 0.967 719 V CB 1.283 32.810 31.823 -0.494 0.000 0.988 719 V HN 0.865 nan 8.190 nan 0.000 0.473 720 E N 4.044 124.259 120.200 0.025 0.000 2.366 720 E HA 0.877 5.257 4.350 0.051 0.000 0.278 720 E C -1.026 175.728 176.600 0.258 0.000 0.923 720 E CA -0.993 55.527 56.400 0.201 0.000 0.761 720 E CB 2.573 32.340 29.700 0.112 0.000 1.231 720 E HN 0.818 nan 8.360 nan 0.000 0.443 721 A N 1.676 124.670 122.820 0.289 0.000 2.566 721 A HA 0.335 4.685 4.320 0.051 0.000 0.290 721 A C -0.503 177.104 177.584 0.038 0.000 1.071 721 A CA -0.588 51.547 52.037 0.163 0.000 0.658 721 A CB 1.143 20.283 19.000 0.233 0.000 1.285 721 A HN 0.614 nan 8.150 nan 0.000 0.427 722 D N 0.473 120.873 120.400 -0.001 0.000 2.178 722 D HA 0.011 4.682 4.640 0.051 0.000 0.201 722 D C 1.068 177.310 176.300 -0.098 0.000 0.980 722 D CA 2.329 56.307 54.000 -0.037 0.000 0.842 722 D CB 0.087 40.871 40.800 -0.026 0.000 0.948 722 D HN 0.787 nan 8.370 nan 0.000 0.472 723 S N -1.704 113.902 115.700 -0.157 0.000 2.618 723 S HA 0.636 5.137 4.470 0.051 0.000 0.277 723 S C -0.172 174.130 174.600 -0.497 0.000 1.138 723 S CA -0.521 57.529 58.200 -0.249 0.000 0.844 723 S CB 2.141 65.251 63.200 -0.149 0.000 1.127 723 S HN -0.038 nan 8.310 nan 0.000 0.474 724 A N 0.815 123.283 122.820 -0.585 0.000 2.416 724 A HA 0.470 4.821 4.320 0.051 0.000 0.252 724 A C 0.221 177.636 177.584 -0.283 0.000 1.353 724 A CA 0.140 51.673 52.037 -0.840 0.000 0.996 724 A CB -1.116 17.528 19.000 -0.593 0.000 0.961 724 A HN 0.780 nan 8.150 nan 0.000 0.523 725 D N -2.458 117.852 120.400 -0.150 0.000 4.591 725 D HA 0.440 5.110 4.640 0.051 0.000 0.282 725 D C 1.428 177.759 176.300 0.052 0.000 1.735 725 D CA 0.986 54.995 54.000 0.014 0.000 1.015 725 D CB -0.397 40.423 40.800 0.034 0.000 1.533 725 D HN 0.506 nan 8.370 nan 0.000 0.666 726 G N 0.552 109.374 108.800 0.037 0.000 2.672 726 G HA2 -0.323 3.667 3.960 0.051 0.000 0.332 726 G HA3 -0.323 3.667 3.960 0.051 0.000 0.332 726 G C 0.795 175.741 174.900 0.078 0.000 1.213 726 G CA 2.197 47.326 45.100 0.047 0.000 0.980 726 G HN 1.038 nan 8.290 nan 0.000 0.548 727 S N 0.027 115.783 115.700 0.093 0.000 2.572 727 S HA 0.454 4.955 4.470 0.051 0.000 0.228 727 S C 1.583 176.258 174.600 0.126 0.000 0.963 727 S CA 0.854 59.106 58.200 0.086 0.000 0.939 727 S CB 0.167 63.397 63.200 0.051 0.000 0.804 727 S HN 0.934 nan 8.310 nan 0.000 0.480 728 F N 2.620 122.568 119.950 -0.003 0.000 2.102 728 F HA -0.003 4.555 4.527 0.051 0.000 0.298 728 F C 2.101 177.898 175.800 -0.005 0.000 1.105 728 F CA 1.532 59.530 58.000 -0.003 0.000 1.239 728 F CB -0.211 38.788 39.000 -0.001 0.000 0.991 728 F HN 0.162 nan 8.300 nan 0.000 0.474 729 M N 0.081 119.832 119.600 0.251 0.000 2.200 729 M HA -0.140 4.371 4.480 0.051 0.000 0.265 729 M C 1.777 178.081 176.300 0.008 0.000 1.066 729 M CA 1.245 56.608 55.300 0.105 0.000 1.127 729 M CB -1.339 31.352 32.600 0.151 0.000 1.379 729 M HN 0.105 nan 8.290 nan 0.000 0.420 730 D N 0.803 121.217 120.400 0.023 0.000 2.123 730 D HA -0.164 4.507 4.640 0.051 0.000 0.196 730 D C 1.961 178.238 176.300 -0.039 0.000 0.992 730 D CA 1.253 55.251 54.000 -0.003 0.000 0.833 730 D CB -0.182 40.624 40.800 0.009 0.000 0.954 730 D HN 0.467 nan 8.370 nan 0.000 0.455 731 E N 0.252 120.413 120.200 -0.063 0.000 2.058 731 E HA -0.156 4.225 4.350 0.051 0.000 0.194 731 E C 2.115 178.631 176.600 -0.139 0.000 0.997 731 E CA 0.362 56.700 56.400 -0.103 0.000 0.801 731 E CB -0.117 29.503 29.700 -0.133 0.000 0.746 731 E HN 0.163 nan 8.360 nan 0.000 0.450 732 L N 0.980 122.084 121.223 -0.198 0.000 2.017 732 L HA -0.172 4.199 4.340 0.051 0.000 0.208 732 L C 2.100 178.901 176.870 -0.115 0.000 1.073 732 L CA 1.444 56.164 54.840 -0.199 0.000 0.745 732 L CB -0.459 41.444 42.059 -0.259 0.000 0.894 732 L HN 0.229 nan 8.230 nan 0.000 0.432 733 L N -0.082 121.094 121.223 -0.078 0.000 2.083 733 L HA -0.160 4.211 4.340 0.051 0.000 0.209 733 L C 2.631 179.475 176.870 -0.043 0.000 1.083 733 L CA 1.662 56.473 54.840 -0.048 0.000 0.752 733 L CB -1.843 40.199 42.059 -0.027 0.000 0.899 733 L HN 0.275 nan 8.230 nan 0.000 0.433 734 T N 0.127 114.653 114.554 -0.047 0.000 2.684 734 T HA -0.177 4.204 4.350 0.051 0.000 0.267 734 T C 2.123 176.792 174.700 -0.052 0.000 1.036 734 T CA 1.136 63.213 62.100 -0.039 0.000 1.148 734 T CB -0.203 68.642 68.868 -0.039 0.000 0.863 734 T HN 0.208 nan 8.240 nan 0.000 0.436 735 L N 0.197 121.371 121.223 -0.082 0.000 2.046 735 L HA -0.076 4.295 4.340 0.051 0.000 0.208 735 L C 2.711 179.517 176.870 -0.107 0.000 1.077 735 L CA 1.316 56.088 54.840 -0.113 0.000 0.747 735 L CB -0.544 41.428 42.059 -0.145 0.000 0.896 735 L HN 0.307 nan 8.230 nan 0.000 0.432 736 M N -0.726 118.827 119.600 -0.079 0.000 2.229 736 M HA -0.153 4.357 4.480 0.051 0.000 0.264 736 M C 2.483 178.785 176.300 0.004 0.000 1.063 736 M CA 1.589 56.861 55.300 -0.046 0.000 1.114 736 M CB -0.493 32.090 32.600 -0.029 0.000 1.387 736 M HN 0.313 nan 8.290 nan 0.000 0.420 737 A N 0.386 123.208 122.820 0.003 0.000 2.024 737 A HA -0.012 4.338 4.320 0.051 0.000 0.220 737 A C 2.107 179.731 177.584 0.066 0.000 1.164 737 A CA 1.822 53.880 52.037 0.035 0.000 0.643 737 A CB -0.634 18.380 19.000 0.023 0.000 0.806 737 A HN 0.513 nan 8.150 nan 0.000 0.451 738 A N -2.821 120.017 122.820 0.030 0.000 2.345 738 A HA 0.396 4.747 4.320 0.051 0.000 0.225 738 A C 0.859 178.462 177.584 0.032 0.000 1.243 738 A CA 1.126 53.193 52.037 0.050 0.000 0.875 738 A CB -0.452 18.541 19.000 -0.012 0.000 0.929 738 A HN 0.944 nan 8.150 nan 0.000 0.502 739 H N -1.048 117.965 119.070 -0.095 0.000 4.884 739 H HA -0.191 4.395 4.556 0.051 0.000 0.061 739 H C 0.068 175.182 175.328 -0.357 0.000 0.590 739 H CA 2.438 58.412 56.048 -0.123 0.000 0.961 739 H CB -0.570 29.225 29.762 0.056 0.000 0.443 739 H HN 0.465 nan 8.280 nan 0.000 0.794 740 R N -0.461 119.474 120.500 -0.942 0.000 2.799 740 R HA 0.627 4.997 4.340 0.051 0.000 0.270 740 R C -0.764 174.662 176.300 -1.457 0.000 1.010 740 R CA -0.274 55.025 56.100 -1.336 0.000 0.916 740 R CB 1.747 30.934 30.300 -1.855 0.000 1.228 740 R HN 0.065 nan 8.270 nan 0.000 0.469 741 V N 2.264 121.546 119.914 -1.053 0.000 2.218 741 V HA 0.126 4.277 4.120 0.051 0.000 0.261 741 V C 0.584 176.300 176.094 -0.631 0.000 1.142 741 V CA -0.484 61.393 62.300 -0.704 0.000 0.965 741 V CB -0.126 31.431 31.823 -0.442 0.000 1.190 741 V HN 0.716 nan 8.190 nan 0.000 0.478 742 W N 1.503 122.509 121.300 -0.491 0.000 2.392 742 W HA -0.177 4.514 4.660 0.051 0.000 0.279 742 W C 2.493 178.791 176.519 -0.369 0.000 1.225 742 W CA 0.870 57.830 57.345 -0.642 0.000 1.233 742 W CB -0.406 28.223 29.460 -1.385 0.000 1.122 742 W HN 0.651 nan 8.180 nan 0.000 0.561 743 S N 0.687 116.324 115.700 -0.104 0.000 2.507 743 S HA -0.139 4.362 4.470 0.051 0.000 0.235 743 S C 1.722 176.283 174.600 -0.066 0.000 0.988 743 S CA 0.868 59.036 58.200 -0.053 0.000 0.944 743 S CB -0.387 62.783 63.200 -0.049 0.000 0.762 743 S HN 0.422 nan 8.310 nan 0.000 0.526 744 R N 0.691 121.111 120.500 -0.133 0.000 2.275 744 R HA 0.249 4.620 4.340 0.051 0.000 0.199 744 R C 1.789 178.020 176.300 -0.115 0.000 0.989 744 R CA 0.383 56.386 56.100 -0.163 0.000 1.016 744 R CB -0.357 29.741 30.300 -0.337 0.000 0.918 744 R HN 0.475 nan 8.270 nan 0.000 0.473 745 I N 1.825 122.364 120.570 -0.052 0.000 2.113 745 I HA -0.251 3.950 4.170 0.051 0.000 0.242 745 I C -0.779 175.359 176.117 0.036 0.000 1.064 745 I CA 1.450 62.763 61.300 0.021 0.000 1.320 745 I CB -1.078 36.984 38.000 0.102 0.000 1.028 745 I HN 0.163 nan 8.210 nan 0.000 0.406 746 P HA -0.190 nan 4.420 nan 0.000 0.217 746 P C 1.273 178.601 177.300 0.046 0.000 1.148 746 P CA 1.564 64.692 63.100 0.046 0.000 0.828 746 P CB -0.080 31.645 31.700 0.041 0.000 0.783 747 K N -0.571 119.851 120.400 0.038 0.000 2.296 747 K HA -0.006 4.344 4.320 0.051 0.000 0.200 747 K C 2.065 178.726 176.600 0.102 0.000 1.048 747 K CA 0.807 57.141 56.287 0.078 0.000 0.966 747 K CB -0.451 32.123 32.500 0.123 0.000 0.754 747 K HN 0.301 nan 8.250 nan 0.000 0.466 748 I N -1.358 119.242 120.570 0.049 0.000 2.353 748 I HA -0.146 4.055 4.170 0.051 0.000 0.248 748 I C 1.137 177.297 176.117 0.073 0.000 1.119 748 I CA 1.350 62.683 61.300 0.056 0.000 1.417 748 I CB -0.177 37.810 38.000 -0.022 0.000 1.078 748 I HN -0.126 nan 8.210 nan 0.000 0.421 749 D N 1.893 122.334 120.400 0.069 0.000 2.221 749 D HA -0.164 4.506 4.640 0.051 0.000 0.204 749 D C 1.947 178.285 176.300 0.064 0.000 0.982 749 D CA 1.292 55.333 54.000 0.069 0.000 0.857 749 D CB -0.118 40.725 40.800 0.070 0.000 0.934 749 D HN 0.337 nan 8.370 nan 0.000 0.475 750 K N 0.065 120.504 120.400 0.064 0.000 2.432 750 K HA 0.146 4.497 4.320 0.051 0.000 0.196 750 K C 0.830 177.462 176.600 0.053 0.000 1.038 750 K CA -0.083 56.237 56.287 0.055 0.000 0.986 750 K CB 0.294 32.824 32.500 0.050 0.000 0.782 750 K HN 0.235 nan 8.250 nan 0.000 0.485 751 I N 2.536 123.146 120.570 0.066 0.000 2.371 751 I HA 0.200 4.401 4.170 0.051 0.000 0.290 751 I C -2.311 173.836 176.117 0.051 0.000 1.028 751 I CA -2.398 58.934 61.300 0.055 0.000 1.345 751 I CB 1.140 39.185 38.000 0.075 0.000 1.407 751 I HN -0.035 nan 8.210 nan 0.000 0.501 752 P HA 0.352 nan 4.420 nan 0.000 0.256 752 P C -0.930 176.427 177.300 0.096 0.000 1.689 752 P CA -0.039 63.096 63.100 0.060 0.000 1.124 752 P CB 0.545 32.274 31.700 0.048 0.000 1.766 753 A N 0.000 122.880 122.820 0.100 0.000 2.254 753 A HA 0.000 4.351 4.320 0.051 0.000 0.244 753 A CA 0.000 52.143 52.037 0.176 0.000 0.836 753 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486