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 3p9r_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 TMEGFGGHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG 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 PXGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 28 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 29 L N 1.158 122.337 121.223 -0.074 0.000 2.513 29 L HA 0.566 4.932 4.340 0.044 0.000 0.222 29 L C 1.566 178.359 176.870 -0.127 0.000 1.096 29 L CA 0.423 55.215 54.840 -0.079 0.000 0.857 29 L CB -0.328 41.695 42.059 -0.060 0.000 1.026 29 L HN 0.591 nan 8.230 nan 0.000 0.469 30 A N 1.781 124.473 122.820 -0.214 0.000 2.483 30 A HA 0.335 4.682 4.320 0.044 0.000 0.238 30 A C -1.974 175.464 177.584 -0.243 0.000 1.070 30 A CA -0.804 50.986 52.037 -0.412 0.000 0.770 30 A CB -0.610 17.919 19.000 -0.786 0.000 1.008 30 A HN 0.002 nan 8.150 nan 0.000 0.497 31 P HA 0.137 nan 4.420 nan 0.000 0.271 31 P C 0.287 177.572 177.300 -0.026 0.000 1.218 31 P CA -0.129 62.938 63.100 -0.055 0.000 0.780 31 P CB 0.883 32.590 31.700 0.012 0.000 0.901 32 E N 1.835 122.028 120.200 -0.012 0.000 2.130 32 E HA -0.242 4.134 4.350 0.044 0.000 0.196 32 E C 1.064 177.683 176.600 0.032 0.000 0.998 32 E CA 1.951 58.354 56.400 0.005 0.000 0.806 32 E CB -0.471 29.229 29.700 0.000 0.000 0.738 32 E HN 0.543 nan 8.360 nan 0.000 0.459 33 D N -1.619 118.806 120.400 0.042 0.000 2.336 33 D HA 0.053 4.719 4.640 0.044 0.000 0.229 33 D C 1.279 177.626 176.300 0.079 0.000 1.061 33 D CA 0.786 54.816 54.000 0.050 0.000 0.875 33 D CB -0.368 40.454 40.800 0.037 0.000 0.904 33 D HN 0.258 nan 8.370 nan 0.000 0.525 34 G N 0.513 109.401 108.800 0.147 0.000 2.175 34 G HA2 -0.388 3.599 3.960 0.044 0.000 0.265 34 G HA3 -0.388 3.599 3.960 0.044 0.000 0.265 34 G C 1.110 176.096 174.900 0.142 0.000 0.979 34 G CA 0.990 46.220 45.100 0.217 0.000 0.663 34 G HN 0.735 nan 8.290 nan 0.000 0.533 35 S N 0.658 116.451 115.700 0.155 0.000 2.603 35 S HA -0.056 4.440 4.470 0.044 0.000 0.229 35 S C 1.932 176.586 174.600 0.091 0.000 0.972 35 S CA 1.214 59.461 58.200 0.078 0.000 0.935 35 S CB -0.562 62.676 63.200 0.062 0.000 0.769 35 S HN 0.941 nan 8.310 nan 0.000 0.536 36 H N 0.831 119.907 119.070 0.010 0.000 2.524 36 H HA 0.255 4.837 4.556 0.044 0.000 0.282 36 H C 0.808 176.147 175.328 0.019 0.000 1.016 36 H CA 0.357 56.412 56.048 0.012 0.000 1.270 36 H CB -0.375 29.394 29.762 0.011 0.000 1.394 36 H HN 0.364 nan 8.280 nan 0.000 0.568 37 R N 2.253 122.411 120.500 -0.569 0.000 2.229 37 R HA 0.352 4.719 4.340 0.044 0.000 0.332 37 R C -2.653 173.546 176.300 -0.167 0.000 0.989 37 R CA -1.960 53.880 56.100 -0.433 0.000 0.842 37 R CB 0.869 30.826 30.300 -0.572 0.000 1.119 37 R HN 0.084 nan 8.270 nan 0.000 0.456 38 P HA 0.099 nan 4.420 nan 0.000 0.271 38 P C -1.034 176.256 177.300 -0.017 0.000 1.216 38 P CA -0.238 62.850 63.100 -0.020 0.000 0.776 38 P CB 1.084 32.799 31.700 0.024 0.000 0.881 39 A N 3.139 125.955 122.820 -0.006 0.000 2.546 39 A HA 0.349 4.695 4.320 0.044 0.000 0.243 39 A C 0.929 178.522 177.584 0.016 0.000 1.063 39 A CA 0.166 52.203 52.037 0.001 0.000 0.757 39 A CB -0.492 18.511 19.000 0.006 0.000 0.991 39 A HN 0.582 nan 8.150 nan 0.000 0.503 40 A N 3.581 126.410 122.820 0.015 0.000 3.077 40 A HA 0.496 4.843 4.320 0.044 0.000 0.255 40 A C 0.383 177.984 177.584 0.030 0.000 1.728 40 A CA 0.260 52.312 52.037 0.025 0.000 1.383 40 A CB -0.893 18.118 19.000 0.020 0.000 1.097 40 A HN 0.947 nan 8.150 nan 0.000 0.634 41 E N -0.872 119.349 120.200 0.034 0.000 2.401 41 E HA 0.448 4.825 4.350 0.044 0.000 0.280 41 E C -3.337 173.286 176.600 0.038 0.000 1.039 41 E CA -2.324 54.098 56.400 0.036 0.000 0.814 41 E CB 0.411 30.126 29.700 0.026 0.000 1.275 41 E HN 0.044 nan 8.360 nan 0.000 0.448 42 P HA 0.116 nan 4.420 nan 0.000 0.267 42 P C -0.899 176.410 177.300 0.015 0.000 1.205 42 P CA 0.337 63.452 63.100 0.025 0.000 0.765 42 P CB 0.653 32.355 31.700 0.004 0.000 0.828 43 T N 0.795 115.355 114.554 0.011 0.000 2.900 43 T HA 0.644 5.020 4.350 0.044 0.000 0.303 43 T C -2.992 171.692 174.700 -0.026 0.000 1.142 43 T CA -2.587 59.515 62.100 0.004 0.000 1.007 43 T CB 1.761 70.635 68.868 0.010 0.000 1.156 43 T HN 0.056 nan 8.240 nan 0.000 0.490 44 P HA 0.389 nan 4.420 nan 0.000 0.274 44 P C -2.796 174.372 177.300 -0.220 0.000 1.246 44 P CA -1.707 61.278 63.100 -0.192 0.000 0.795 44 P CB -0.883 30.781 31.700 -0.060 0.000 1.006 45 P HA 0.053 nan 4.420 nan 0.000 0.262 45 P C 1.049 178.289 177.300 -0.100 0.000 1.182 45 P CA 1.551 64.535 63.100 -0.193 0.000 0.761 45 P CB -0.291 31.270 31.700 -0.231 0.000 0.795 46 G N 2.784 111.559 108.800 -0.042 0.000 2.199 46 G HA2 -0.327 3.659 3.960 0.044 0.000 0.254 46 G HA3 -0.327 3.659 3.960 0.044 0.000 0.254 46 G C 1.114 176.009 174.900 -0.008 0.000 0.982 46 G CA 0.348 45.439 45.100 -0.016 0.000 0.632 46 G HN 0.667 nan 8.290 nan 0.000 0.529 47 A N -1.191 121.621 122.820 -0.013 0.000 2.016 47 A HA 0.457 4.804 4.320 0.044 0.000 0.217 47 A C 1.296 178.883 177.584 0.005 0.000 1.162 47 A CA 1.922 53.957 52.037 -0.003 0.000 0.662 47 A CB 0.034 19.032 19.000 -0.003 0.000 0.812 47 A HN 0.470 nan 8.150 nan 0.000 0.450 48 Q N -1.104 118.702 119.800 0.010 0.000 2.456 48 Q HA 0.431 4.798 4.340 0.044 0.000 0.284 48 Q C -3.004 173.010 176.000 0.023 0.000 1.061 48 Q CA -1.983 53.829 55.803 0.016 0.000 0.799 48 Q CB 1.104 29.856 28.738 0.023 0.000 1.445 48 Q HN 0.042 nan 8.270 nan 0.000 0.411 49 P HA 0.060 nan 4.420 nan 0.000 0.268 49 P C -0.266 177.066 177.300 0.053 0.000 1.205 49 P CA 0.030 63.145 63.100 0.025 0.000 0.771 49 P CB 0.249 31.961 31.700 0.020 0.000 0.858 50 T N -0.284 114.304 114.554 0.055 0.000 2.856 50 T HA 0.542 4.918 4.350 0.044 0.000 0.306 50 T C 0.049 174.841 174.700 0.153 0.000 1.062 50 T CA -0.449 61.736 62.100 0.141 0.000 1.083 50 T CB 0.509 69.406 68.868 0.048 0.000 0.984 50 T HN 0.550 nan 8.240 nan 0.000 0.542 51 A N 2.045 125.051 122.820 0.310 0.000 2.593 51 A HA 0.799 5.145 4.320 0.044 0.000 0.290 51 A C -2.983 174.871 177.584 0.449 0.000 1.126 51 A CA -2.113 50.081 52.037 0.262 0.000 0.695 51 A CB 0.693 19.796 19.000 0.173 0.000 1.290 51 A HN 0.668 nan 8.150 nan 0.000 0.414 52 P HA 0.113 nan 4.420 nan 0.000 0.265 52 P C 1.192 178.646 177.300 0.256 0.000 1.187 52 P CA 0.903 64.227 63.100 0.374 0.000 0.766 52 P CB 0.508 32.346 31.700 0.231 0.000 0.820 53 G N 2.210 111.120 108.800 0.183 0.000 2.469 53 G HA2 -0.293 3.694 3.960 0.044 0.000 0.220 53 G HA3 -0.293 3.694 3.960 0.044 0.000 0.220 53 G C 1.542 176.462 174.900 0.033 0.000 1.136 53 G CA 1.145 46.263 45.100 0.030 0.000 0.759 53 G HN 0.596 nan 8.290 nan 0.000 0.562 54 S N -0.045 115.682 115.700 0.045 0.000 2.489 54 S HA 0.157 4.653 4.470 0.044 0.000 0.228 54 S C 2.214 176.836 174.600 0.035 0.000 0.995 54 S CA 0.659 58.869 58.200 0.017 0.000 0.934 54 S CB -0.159 63.043 63.200 0.004 0.000 0.771 54 S HN 0.317 nan 8.310 nan 0.000 0.522 55 L N -0.074 121.187 121.223 0.064 0.000 2.249 55 L HA 0.261 4.627 4.340 0.044 0.000 0.207 55 L C 2.678 179.583 176.870 0.058 0.000 1.090 55 L CA 0.766 55.642 54.840 0.061 0.000 0.802 55 L CB -0.382 41.721 42.059 0.074 0.000 0.947 55 L HN 0.237 nan 8.230 nan 0.000 0.453 56 K N 1.549 121.994 120.400 0.076 0.000 2.103 56 K HA 0.015 4.362 4.320 0.044 0.000 0.204 56 K C 0.749 177.381 176.600 0.053 0.000 1.052 56 K CA 1.372 57.704 56.287 0.074 0.000 0.945 56 K CB 0.075 32.637 32.500 0.103 0.000 0.722 56 K HN 0.163 nan 8.250 nan 0.000 0.443 57 A N 0.653 123.497 122.820 0.040 0.000 3.410 57 A HA 0.337 4.684 4.320 0.044 0.000 0.276 57 A C -2.169 175.423 177.584 0.013 0.000 0.995 57 A CA -0.903 51.154 52.037 0.034 0.000 0.934 57 A CB 0.602 19.627 19.000 0.040 0.000 1.191 57 A HN 0.158 nan 8.150 nan 0.000 0.511 58 P HA -0.126 nan 4.420 nan 0.000 0.220 58 P C 0.167 177.462 177.300 -0.008 0.000 1.148 58 P CA 1.109 64.210 63.100 0.002 0.000 0.803 58 P CB 0.305 32.011 31.700 0.009 0.000 0.782 59 D N -0.552 119.847 120.400 -0.001 0.000 2.347 59 D HA -0.005 4.661 4.640 0.044 0.000 0.213 59 D C 0.506 176.794 176.300 -0.020 0.000 0.985 59 D CA 0.668 54.664 54.000 -0.007 0.000 0.879 59 D CB -0.521 40.282 40.800 0.005 0.000 0.919 59 D HN 0.165 nan 8.370 nan 0.000 0.526 60 T N 2.719 117.259 114.554 -0.025 0.000 2.851 60 T HA 0.286 4.662 4.350 0.044 0.000 0.298 60 T C 0.603 175.257 174.700 -0.075 0.000 0.977 60 T CA -0.335 61.734 62.100 -0.052 0.000 1.126 60 T CB 1.233 70.067 68.868 -0.057 0.000 0.916 60 T HN 0.131 nan 8.240 nan 0.000 0.529 61 R N 1.799 122.244 120.500 -0.092 0.000 2.739 61 R HA 0.601 4.967 4.340 0.044 0.000 0.271 61 R C -1.452 174.784 176.300 -0.107 0.000 1.010 61 R CA -0.962 55.078 56.100 -0.099 0.000 0.897 61 R CB 1.131 31.381 30.300 -0.082 0.000 1.236 61 R HN 0.737 nan 8.270 nan 0.000 0.466 62 N N -1.561 117.080 118.700 -0.100 0.000 2.934 62 N HA 0.106 4.873 4.740 0.044 0.000 0.253 62 N C 0.135 175.598 175.510 -0.077 0.000 1.466 62 N CA -0.569 52.435 53.050 -0.078 0.000 0.858 62 N CB 0.695 39.167 38.487 -0.025 0.000 1.459 62 N HN 0.714 nan 8.380 nan 0.000 0.532 63 E N -0.262 119.908 120.200 -0.050 0.000 2.118 63 E HA -0.290 4.086 4.350 0.044 0.000 0.195 63 E C 1.060 177.591 176.600 -0.115 0.000 0.992 63 E CA 1.574 57.940 56.400 -0.058 0.000 0.804 63 E CB 0.075 29.766 29.700 -0.014 0.000 0.741 63 E HN 0.503 nan 8.360 nan 0.000 0.458 64 K N 0.703 121.002 120.400 -0.169 0.000 2.031 64 K HA -0.071 4.275 4.320 0.044 0.000 0.205 64 K C 2.134 178.570 176.600 -0.272 0.000 1.049 64 K CA 1.108 57.200 56.287 -0.325 0.000 0.939 64 K CB -0.421 31.736 32.500 -0.572 0.000 0.717 64 K HN 0.177 nan 8.250 nan 0.000 0.438 65 L N 1.019 122.097 121.223 -0.243 0.000 2.079 65 L HA -0.223 4.144 4.340 0.044 0.000 0.210 65 L C 1.829 178.585 176.870 -0.191 0.000 1.081 65 L CA 1.290 55.961 54.840 -0.282 0.000 0.752 65 L CB -0.631 41.259 42.059 -0.283 0.000 0.896 65 L HN 0.259 nan 8.230 nan 0.000 0.433 66 N N -0.401 118.212 118.700 -0.145 0.000 2.142 66 N HA -0.152 4.614 4.740 0.044 0.000 0.186 66 N C 2.082 177.531 175.510 -0.101 0.000 1.023 66 N CA 1.656 54.642 53.050 -0.105 0.000 0.852 66 N CB -0.442 37.997 38.487 -0.081 0.000 0.998 66 N HN 0.366 nan 8.380 nan 0.000 0.424 67 S N 0.286 115.915 115.700 -0.118 0.000 2.481 67 S HA 0.042 4.538 4.470 0.044 0.000 0.231 67 S C 1.748 176.283 174.600 -0.109 0.000 0.996 67 S CA 0.360 58.497 58.200 -0.105 0.000 0.942 67 S CB -0.445 62.687 63.200 -0.113 0.000 0.768 67 S HN 0.238 nan 8.310 nan 0.000 0.520 68 L N 0.824 121.967 121.223 -0.133 0.000 2.554 68 L HA 0.188 4.554 4.340 0.044 0.000 0.226 68 L C 2.612 179.432 176.870 -0.083 0.000 1.137 68 L CA 0.585 55.355 54.840 -0.117 0.000 0.863 68 L CB -0.386 41.585 42.059 -0.147 0.000 0.985 68 L HN 0.287 nan 8.230 nan 0.000 0.451 69 E N 1.267 121.421 120.200 -0.076 0.000 2.160 69 E HA -0.259 4.117 4.350 0.044 0.000 0.195 69 E C 1.604 178.182 176.600 -0.037 0.000 0.991 69 E CA 1.643 58.011 56.400 -0.053 0.000 0.810 69 E CB -0.031 29.640 29.700 -0.048 0.000 0.742 69 E HN 0.598 nan 8.360 nan 0.000 0.466 70 D N -0.636 119.741 120.400 -0.038 0.000 2.310 70 D HA -0.135 4.531 4.640 0.044 0.000 0.212 70 D C 1.646 177.931 176.300 -0.025 0.000 0.965 70 D CA 1.307 55.290 54.000 -0.028 0.000 0.879 70 D CB -0.351 40.432 40.800 -0.028 0.000 0.921 70 D HN 0.293 nan 8.370 nan 0.000 0.510 71 V N -3.526 116.372 119.914 -0.027 0.000 3.578 71 V HA 0.307 4.453 4.120 0.044 0.000 0.290 71 V C 0.805 176.893 176.094 -0.011 0.000 1.376 71 V CA -0.654 61.636 62.300 -0.017 0.000 1.083 71 V CB -0.660 31.154 31.823 -0.015 0.000 0.911 71 V HN -0.149 nan 8.190 nan 0.000 0.433 72 R N 2.126 122.618 120.500 -0.014 0.000 2.537 72 R HA 0.378 4.744 4.340 0.044 0.000 0.280 72 R C -0.315 175.986 176.300 0.001 0.000 1.058 72 R CA 0.259 56.358 56.100 -0.001 0.000 1.057 72 R CB 0.489 30.788 30.300 -0.001 0.000 0.973 72 R HN 0.430 nan 8.270 nan 0.000 0.438 73 K N 1.533 121.938 120.400 0.009 0.000 2.358 73 K HA 0.260 4.607 4.320 0.044 0.000 0.260 73 K C 0.234 176.850 176.600 0.027 0.000 0.956 73 K CA -0.455 55.826 56.287 -0.010 0.000 0.834 73 K CB 2.265 34.750 32.500 -0.025 0.000 1.102 73 K HN 0.712 nan 8.250 nan 0.000 0.431 74 G N 0.436 109.268 108.800 0.053 0.000 2.489 74 G HA2 0.196 4.182 3.960 0.044 0.000 0.271 74 G HA3 0.196 4.182 3.960 0.044 0.000 0.271 74 G C 0.601 175.617 174.900 0.193 0.000 1.427 74 G CA 0.168 45.361 45.100 0.155 0.000 1.057 74 G HN 0.645 nan 8.290 nan 0.000 0.532 75 S N -2.800 113.092 115.700 0.322 0.000 2.501 75 S HA 0.112 4.609 4.470 0.044 0.000 0.250 75 S C 0.247 175.013 174.600 0.276 0.000 0.959 75 S CA -0.164 58.224 58.200 0.315 0.000 1.250 75 S CB 0.033 63.325 63.200 0.154 0.000 0.933 75 S HN 0.512 nan 8.310 nan 0.000 0.420 76 E N 2.951 123.223 120.200 0.122 0.000 2.415 76 E HA 0.250 4.626 4.350 0.044 0.000 0.263 76 E C -0.279 176.206 176.600 -0.191 0.000 0.995 76 E CA 0.208 56.603 56.400 -0.007 0.000 0.915 76 E CB 0.070 29.760 29.700 -0.016 0.000 0.951 76 E HN 0.383 nan 8.360 nan 0.000 0.449 77 N N 1.006 119.615 118.700 -0.150 0.000 2.878 77 N HA -0.209 4.558 4.740 0.044 0.000 0.247 77 N C -1.241 174.089 175.510 -0.301 0.000 1.021 77 N CA 1.074 53.988 53.050 -0.226 0.000 0.873 77 N CB -1.383 36.939 38.487 -0.275 0.000 1.128 77 N HN 0.374 nan 8.380 nan 0.000 0.571 78 Y N 0.659 120.965 120.300 0.010 0.000 2.361 78 Y HA 0.620 5.197 4.550 0.045 0.000 0.332 78 Y C 0.993 176.896 175.900 0.005 0.000 1.101 78 Y CA -0.710 57.395 58.100 0.008 0.000 1.137 78 Y CB 0.987 39.452 38.460 0.009 0.000 1.207 78 Y HN 0.133 nan 8.280 nan 0.000 0.463 79 A N 2.918 125.851 122.820 0.188 0.000 2.531 79 A HA 0.244 4.590 4.320 0.044 0.000 0.236 79 A C -0.420 177.216 177.584 0.088 0.000 1.062 79 A CA -0.435 51.665 52.037 0.105 0.000 0.760 79 A CB -0.122 18.924 19.000 0.077 0.000 0.995 79 A HN 0.723 nan 8.150 nan 0.000 0.501 80 L N 3.468 124.722 121.223 0.052 0.000 2.418 80 L HA 0.448 4.814 4.340 0.044 0.000 0.274 80 L C 0.749 177.628 176.870 0.015 0.000 1.135 80 L CA 1.234 56.090 54.840 0.026 0.000 0.870 80 L CB 0.118 42.183 42.059 0.011 0.000 1.154 80 L HN 0.895 nan 8.230 nan 0.000 0.462 81 T N 0.537 115.094 114.554 0.005 0.000 2.907 81 T HA 0.662 5.039 4.350 0.044 0.000 0.290 81 T C 0.278 174.978 174.700 -0.001 0.000 1.066 81 T CA -0.171 61.933 62.100 0.007 0.000 1.012 81 T CB 1.088 69.962 68.868 0.011 0.000 1.184 81 T HN 0.776 nan 8.240 nan 0.000 0.522 82 T N 0.572 115.138 114.554 0.020 0.000 2.680 82 T HA 0.155 4.531 4.350 0.044 0.000 0.314 82 T C 1.125 175.840 174.700 0.024 0.000 1.045 82 T CA -0.417 61.703 62.100 0.034 0.000 1.025 82 T CB -0.114 68.816 68.868 0.102 0.000 1.000 82 T HN 0.589 nan 8.240 nan 0.000 0.535 83 N N 0.585 119.303 118.700 0.030 0.000 2.453 83 N HA -0.073 4.693 4.740 0.044 0.000 0.183 83 N C 1.508 177.040 175.510 0.036 0.000 1.041 83 N CA 0.620 53.684 53.050 0.023 0.000 0.900 83 N CB -0.159 38.351 38.487 0.038 0.000 0.961 83 N HN 0.564 nan 8.380 nan 0.000 0.443 84 Q N -0.570 119.264 119.800 0.057 0.000 2.319 84 Q HA 0.204 4.570 4.340 0.044 0.000 0.202 84 Q C 0.772 176.796 176.000 0.040 0.000 0.896 84 Q CA 0.115 55.947 55.803 0.048 0.000 0.942 84 Q CB 0.477 29.253 28.738 0.062 0.000 1.083 84 Q HN 0.392 nan 8.270 nan 0.000 0.510 85 G N 0.462 109.283 108.800 0.036 0.000 2.132 85 G HA2 -0.228 3.758 3.960 0.044 0.000 0.234 85 G HA3 -0.228 3.758 3.960 0.044 0.000 0.234 85 G C 0.022 174.948 174.900 0.042 0.000 0.989 85 G CA 0.117 45.232 45.100 0.025 0.000 0.676 85 G HN 0.214 nan 8.290 nan 0.000 0.522 86 V N 1.565 121.521 119.914 0.070 0.000 2.432 86 V HA 0.388 4.535 4.120 0.044 0.000 0.275 86 V C 1.301 177.433 176.094 0.064 0.000 1.043 86 V CA -0.690 61.663 62.300 0.088 0.000 0.925 86 V CB 1.227 33.151 31.823 0.169 0.000 0.985 86 V HN 0.402 nan 8.190 nan 0.000 0.466 87 R N 4.214 124.744 120.500 0.051 0.000 2.570 87 R HA 0.326 4.693 4.340 0.044 0.000 0.277 87 R C -0.544 175.769 176.300 0.021 0.000 1.039 87 R CA 0.009 56.130 56.100 0.034 0.000 1.065 87 R CB 0.481 30.802 30.300 0.035 0.000 0.964 87 R HN 0.570 nan 8.270 nan 0.000 0.428 88 I N 2.130 122.701 120.570 0.001 0.000 2.359 88 I HA 0.122 4.318 4.170 0.044 0.000 0.294 88 I C 0.977 177.083 176.117 -0.018 0.000 0.987 88 I CA -0.009 61.275 61.300 -0.025 0.000 1.225 88 I CB 1.899 39.872 38.000 -0.045 0.000 1.366 88 I HN 0.766 nan 8.210 nan 0.000 0.466 89 A N 4.144 126.950 122.820 -0.023 0.000 1.878 89 A HA -0.008 4.339 4.320 0.044 0.000 0.213 89 A C 0.712 178.281 177.584 -0.025 0.000 1.192 89 A CA 1.010 53.037 52.037 -0.017 0.000 0.619 89 A CB 0.033 19.026 19.000 -0.011 0.000 0.837 89 A HN 0.681 nan 8.150 nan 0.000 0.446 90 D N -0.612 119.765 120.400 -0.039 0.000 2.440 90 D HA 0.336 5.002 4.640 0.044 0.000 0.252 90 D C -1.292 174.976 176.300 -0.053 0.000 1.180 90 D CA -0.374 53.602 54.000 -0.040 0.000 0.894 90 D CB 1.201 41.978 40.800 -0.038 0.000 1.111 90 D HN 0.063 nan 8.370 nan 0.000 0.544 91 D N 2.006 122.378 120.400 -0.046 0.000 2.395 91 D HA 0.048 4.714 4.640 0.044 0.000 0.226 91 D C 0.682 176.951 176.300 -0.052 0.000 1.146 91 D CA 0.279 54.247 54.000 -0.053 0.000 0.830 91 D CB 0.522 41.295 40.800 -0.044 0.000 0.958 91 D HN 0.231 nan 8.370 nan 0.000 0.501 92 Q N -0.635 119.136 119.800 -0.048 0.000 2.317 92 Q HA 0.266 4.632 4.340 0.044 0.000 0.220 92 Q C -0.132 175.839 176.000 -0.048 0.000 0.873 92 Q CA 0.257 56.032 55.803 -0.046 0.000 0.936 92 Q CB 0.777 29.493 28.738 -0.037 0.000 1.105 92 Q HN 0.203 nan 8.270 nan 0.000 0.520 93 N N -0.006 118.664 118.700 -0.051 0.000 2.277 93 N HA 0.311 5.077 4.740 0.044 0.000 0.286 93 N C -0.958 174.519 175.510 -0.055 0.000 1.140 93 N CA -0.246 52.775 53.050 -0.048 0.000 0.799 93 N CB 2.124 40.587 38.487 -0.039 0.000 1.596 93 N HN -0.179 nan 8.380 nan 0.000 0.473 94 S N 0.718 116.388 115.700 -0.050 0.000 2.614 94 S HA 0.272 4.769 4.470 0.044 0.000 0.265 94 S C 0.153 174.728 174.600 -0.040 0.000 1.303 94 S CA -0.550 57.620 58.200 -0.049 0.000 1.000 94 S CB 0.682 63.859 63.200 -0.039 0.000 0.935 94 S HN 0.400 nan 8.310 nan 0.000 0.551 95 L N 3.270 124.470 121.223 -0.039 0.000 2.319 95 L HA 0.452 4.819 4.340 0.044 0.000 0.280 95 L C 0.027 176.891 176.870 -0.010 0.000 1.099 95 L CA 0.262 55.088 54.840 -0.023 0.000 0.828 95 L CB -0.008 42.041 42.059 -0.017 0.000 1.150 95 L HN 0.726 nan 8.230 nan 0.000 0.442 96 R N 4.177 124.673 120.500 -0.007 0.000 2.836 96 R HA 0.864 5.230 4.340 0.044 0.000 0.269 96 R C -1.130 175.170 176.300 0.001 0.000 1.010 96 R CA -0.843 55.255 56.100 -0.003 0.000 0.930 96 R CB 1.167 31.462 30.300 -0.007 0.000 1.218 96 R HN 0.583 nan 8.270 nan 0.000 0.473 97 A N 1.251 124.072 122.820 0.002 0.000 2.666 97 A HA 0.581 4.928 4.320 0.044 0.000 0.312 97 A C 0.570 178.154 177.584 0.001 0.000 1.471 97 A CA 0.279 52.318 52.037 0.004 0.000 1.134 97 A CB -0.937 18.066 19.000 0.006 0.000 1.129 97 A HN 1.227 nan 8.150 nan 0.000 0.539 98 G N 1.169 109.969 108.800 0.000 0.000 2.719 98 G HA2 0.042 4.028 3.960 0.044 0.000 0.686 98 G HA3 0.042 4.028 3.960 0.044 0.000 0.686 98 G C 0.670 175.567 174.900 -0.004 0.000 1.201 98 G CA 0.136 45.235 45.100 -0.002 0.000 0.768 98 G HN 1.846 nan 8.290 nan 0.000 0.629 99 S N 0.142 115.839 115.700 -0.005 0.000 2.507 99 S HA -0.005 4.491 4.470 0.044 0.000 0.235 99 S C 1.537 176.131 174.600 -0.009 0.000 0.988 99 S CA 1.419 59.614 58.200 -0.008 0.000 0.944 99 S CB 0.077 63.272 63.200 -0.009 0.000 0.762 99 S HN 0.737 nan 8.310 nan 0.000 0.526 100 R N 0.786 121.282 120.500 -0.007 0.000 2.586 100 R HA 0.355 4.721 4.340 0.044 0.000 0.336 100 R C 0.822 177.118 176.300 -0.006 0.000 1.060 100 R CA 0.030 56.126 56.100 -0.007 0.000 1.079 100 R CB 0.805 31.101 30.300 -0.006 0.000 1.317 100 R HN 0.464 nan 8.270 nan 0.000 0.568 101 G N 1.314 110.111 108.800 -0.005 0.000 2.753 101 G HA2 0.414 4.401 3.960 0.044 0.000 0.285 101 G HA3 0.414 4.401 3.960 0.044 0.000 0.285 101 G C -2.502 172.397 174.900 -0.003 0.000 1.344 101 G CA -1.130 43.969 45.100 -0.003 0.000 1.050 101 G HN -0.103 nan 8.290 nan 0.000 0.532 102 P HA 0.226 nan 4.420 nan 0.000 0.275 102 P C -0.157 177.143 177.300 0.001 0.000 1.228 102 P CA -0.050 63.050 63.100 0.000 0.000 0.786 102 P CB 0.837 32.539 31.700 0.003 0.000 0.927 103 T N 3.007 117.561 114.554 -0.001 0.000 2.916 103 T HA 0.212 4.589 4.350 0.044 0.000 0.303 103 T C 0.512 175.217 174.700 0.008 0.000 1.025 103 T CA 0.012 62.112 62.100 -0.000 0.000 1.142 103 T CB -0.075 68.791 68.868 -0.004 0.000 0.947 103 T HN 0.192 nan 8.240 nan 0.000 0.544 104 L N 3.630 124.860 121.223 0.011 0.000 2.325 104 L HA 0.333 4.700 4.340 0.044 0.000 0.279 104 L C 1.379 178.267 176.870 0.031 0.000 1.054 104 L CA -0.868 53.985 54.840 0.022 0.000 0.804 104 L CB 0.933 43.007 42.059 0.026 0.000 1.200 104 L HN 0.480 nan 8.230 nan 0.000 0.436 105 L N 2.487 123.732 121.223 0.036 0.000 2.127 105 L HA -0.197 4.169 4.340 0.044 0.000 0.211 105 L C 2.329 179.240 176.870 0.069 0.000 1.089 105 L CA 1.728 56.595 54.840 0.046 0.000 0.757 105 L CB -0.613 41.470 42.059 0.040 0.000 0.899 105 L HN 0.813 nan 8.230 nan 0.000 0.434 106 E N -1.479 118.766 120.200 0.074 0.000 2.516 106 E HA -0.179 4.197 4.350 0.044 0.000 0.199 106 E C 0.205 176.914 176.600 0.182 0.000 1.069 106 E CA 0.283 56.754 56.400 0.119 0.000 0.876 106 E CB -0.550 29.211 29.700 0.102 0.000 0.843 106 E HN 0.381 nan 8.360 nan 0.000 0.530 107 D N 1.128 121.590 120.400 0.104 0.000 2.455 107 D HA -0.040 4.626 4.640 0.044 0.000 0.234 107 D C 0.365 176.690 176.300 0.042 0.000 1.224 107 D CA -0.493 53.527 54.000 0.033 0.000 0.999 107 D CB -0.105 40.679 40.800 -0.027 0.000 1.072 107 D HN 0.290 nan 8.370 nan 0.000 0.514 108 F N 1.993 121.952 119.950 0.015 0.000 2.456 108 F HA 0.123 4.674 4.527 0.041 0.000 0.298 108 F C 1.623 177.436 175.800 0.021 0.000 1.104 108 F CA 0.027 58.039 58.000 0.020 0.000 1.435 108 F CB -0.688 38.323 39.000 0.019 0.000 1.078 108 F HN 0.184 nan 8.300 nan 0.000 0.546 109 I N 0.373 120.488 120.570 -0.759 0.000 2.233 109 I HA -0.190 4.007 4.170 0.044 0.000 0.243 109 I C 2.474 178.470 176.117 -0.202 0.000 1.093 109 I CA 1.013 62.003 61.300 -0.516 0.000 1.380 109 I CB -0.500 37.155 38.000 -0.576 0.000 1.067 109 I HN 0.268 nan 8.210 nan 0.000 0.413 110 L N 1.136 122.258 121.223 -0.168 0.000 2.012 110 L HA -0.201 4.165 4.340 0.044 0.000 0.210 110 L C 2.640 179.498 176.870 -0.020 0.000 1.073 110 L CA 1.892 56.685 54.840 -0.079 0.000 0.748 110 L CB -0.513 41.508 42.059 -0.063 0.000 0.891 110 L HN 0.048 nan 8.230 nan 0.000 0.431 111 R N -0.706 119.802 120.500 0.013 0.000 2.115 111 R HA -0.147 4.219 4.340 0.044 0.000 0.230 111 R C 2.296 178.650 176.300 0.091 0.000 1.111 111 R CA 1.342 57.480 56.100 0.062 0.000 0.976 111 R CB -0.304 30.048 30.300 0.088 0.000 0.870 111 R HN 0.576 nan 8.270 nan 0.000 0.445 112 E N 1.158 121.413 120.200 0.092 0.000 2.077 112 E HA -0.228 4.148 4.350 0.044 0.000 0.193 112 E C 1.902 178.575 176.600 0.121 0.000 0.989 112 E CA 1.191 57.664 56.400 0.121 0.000 0.800 112 E CB 0.137 29.911 29.700 0.122 0.000 0.746 112 E HN 0.135 nan 8.360 nan 0.000 0.452 113 K N 0.278 120.718 120.400 0.067 0.000 2.057 113 K HA -0.117 4.230 4.320 0.044 0.000 0.206 113 K C 2.124 178.794 176.600 0.118 0.000 1.050 113 K CA 1.033 57.360 56.287 0.067 0.000 0.935 113 K CB 0.026 32.524 32.500 -0.003 0.000 0.715 113 K HN 0.142 nan 8.250 nan 0.000 0.439 114 I N 1.345 121.968 120.570 0.087 0.000 2.252 114 I HA -0.185 4.011 4.170 0.044 0.000 0.245 114 I C 2.124 178.349 176.117 0.180 0.000 1.102 114 I CA 1.313 62.683 61.300 0.117 0.000 1.385 114 I CB -1.438 36.595 38.000 0.055 0.000 1.064 114 I HN 0.212 nan 8.210 nan 0.000 0.414 115 T N -0.202 114.449 114.554 0.162 0.000 2.684 115 T HA -0.234 4.143 4.350 0.044 0.000 0.267 115 T C 1.960 176.797 174.700 0.228 0.000 1.036 115 T CA 1.506 63.722 62.100 0.194 0.000 1.148 115 T CB -0.458 68.533 68.868 0.206 0.000 0.863 115 T HN 0.349 nan 8.240 nan 0.000 0.436 116 H N -0.045 119.114 119.070 0.147 0.000 2.321 116 H HA -0.078 4.500 4.556 0.037 0.000 0.300 116 H C 2.226 177.604 175.328 0.084 0.000 1.087 116 H CA 1.746 57.868 56.048 0.123 0.000 1.319 116 H CB -0.502 29.314 29.762 0.089 0.000 1.379 116 H HN 0.393 nan 8.280 nan 0.000 0.501 117 F N 2.222 122.239 119.950 0.110 0.000 2.091 117 F HA -0.242 4.230 4.527 -0.093 0.000 0.299 117 F C 2.016 177.760 175.800 -0.095 0.000 1.103 117 F CA 1.944 59.952 58.000 0.013 0.000 1.228 117 F CB -0.406 38.594 39.000 0.001 0.000 0.984 117 F HN 0.092 nan 8.300 nan 0.000 0.477 118 D N -1.094 119.223 120.400 -0.138 0.000 2.311 118 D HA -0.167 4.500 4.640 0.044 0.000 0.212 118 D C 1.164 177.026 176.300 -0.729 0.000 0.972 118 D CA 1.302 55.046 54.000 -0.428 0.000 0.887 118 D CB -0.362 40.181 40.800 -0.428 0.000 0.915 118 D HN 0.521 nan 8.370 nan 0.000 0.497 119 H N -0.733 118.221 119.070 -0.194 0.000 2.575 119 H HA 0.215 4.855 4.556 0.141 0.000 0.256 119 H C 0.988 176.157 175.328 -0.266 0.000 1.162 119 H CA -0.147 55.781 56.048 -0.199 0.000 0.969 119 H CB 0.501 30.163 29.762 -0.167 0.000 1.796 119 H HN 0.243 nan 8.280 nan 0.000 0.607 120 E N 0.791 120.824 120.200 -0.279 0.000 2.153 120 E HA -0.069 4.308 4.350 0.044 0.000 0.194 120 E C 0.505 176.956 176.600 -0.248 0.000 0.988 120 E CA 0.728 56.940 56.400 -0.313 0.000 0.811 120 E CB 0.396 29.883 29.700 -0.354 0.000 0.746 120 E HN 0.171 nan 8.360 nan 0.000 0.466 121 R N 1.176 121.585 120.500 -0.151 0.000 2.410 121 R HA 0.369 4.735 4.340 0.044 0.000 0.288 121 R C 0.430 176.766 176.300 0.060 0.000 1.051 121 R CA -0.259 55.824 56.100 -0.028 0.000 1.021 121 R CB 0.827 31.102 30.300 -0.042 0.000 1.032 121 R HN 0.161 nan 8.270 nan 0.000 0.481 122 I N -1.007 119.661 120.570 0.164 0.000 2.910 122 I HA 0.602 4.799 4.170 0.044 0.000 0.310 122 I C -2.264 173.914 176.117 0.102 0.000 1.043 122 I CA -2.956 58.428 61.300 0.141 0.000 1.053 122 I CB 1.834 39.950 38.000 0.194 0.000 1.242 122 I HN 0.230 nan 8.210 nan 0.000 0.452 123 P HA 0.112 nan 4.420 nan 0.000 0.268 123 P C -0.879 176.453 177.300 0.053 0.000 1.205 123 P CA -0.100 63.028 63.100 0.046 0.000 0.771 123 P CB 0.476 32.193 31.700 0.027 0.000 0.858 124 E N 2.754 122.989 120.200 0.057 0.000 2.369 124 E HA 0.176 4.553 4.350 0.044 0.000 0.255 124 E C -0.510 176.121 176.600 0.051 0.000 1.172 124 E CA -0.793 55.647 56.400 0.066 0.000 0.932 124 E CB 0.591 30.335 29.700 0.073 0.000 1.040 124 E HN 0.260 nan 8.360 nan 0.000 0.454 125 R N 0.776 121.314 120.500 0.063 0.000 2.570 125 R HA 0.023 4.389 4.340 0.044 0.000 0.277 125 R C 1.292 177.635 176.300 0.071 0.000 1.039 125 R CA -0.499 55.638 56.100 0.062 0.000 1.065 125 R CB 0.269 30.625 30.300 0.094 0.000 0.964 125 R HN 0.562 nan 8.270 nan 0.000 0.428 126 I N 1.977 122.582 120.570 0.059 0.000 2.194 126 I HA -0.177 4.020 4.170 0.044 0.000 0.246 126 I C 1.222 177.399 176.117 0.099 0.000 1.093 126 I CA 1.597 62.940 61.300 0.072 0.000 1.355 126 I CB -1.179 36.869 38.000 0.079 0.000 1.046 126 I HN 0.413 nan 8.210 nan 0.000 0.413 127 V N -3.831 116.178 119.914 0.158 0.000 3.078 127 V HA 0.512 4.658 4.120 0.044 0.000 0.311 127 V C 0.406 176.688 176.094 0.314 0.000 1.138 127 V CA -0.893 61.532 62.300 0.209 0.000 1.007 127 V CB 1.892 33.917 31.823 0.337 0.000 1.045 127 V HN 0.407 nan 8.190 nan 0.000 0.432 128 H N 0.372 119.516 119.070 0.122 0.000 2.899 128 H HA -0.233 4.349 4.556 0.043 0.000 0.282 128 H C 1.591 176.974 175.328 0.092 0.000 1.198 128 H CA 0.834 56.947 56.048 0.108 0.000 1.140 128 H CB -1.188 28.631 29.762 0.095 0.000 1.317 128 H HN 1.198 nan 8.280 nan 0.000 0.375 129 A N 0.846 123.762 122.820 0.159 0.000 2.019 129 A HA -0.123 4.224 4.320 0.044 0.000 0.219 129 A C 1.677 179.354 177.584 0.155 0.000 1.164 129 A CA 1.420 53.539 52.037 0.137 0.000 0.644 129 A CB -0.132 18.925 19.000 0.096 0.000 0.805 129 A HN 0.315 nan 8.150 nan 0.000 0.449 130 R N -0.057 120.534 120.500 0.151 0.000 2.207 130 R HA 0.517 4.883 4.340 0.044 0.000 0.334 130 R C -0.102 176.328 176.300 0.216 0.000 1.013 130 R CA 0.764 56.972 56.100 0.180 0.000 0.858 130 R CB 0.446 30.836 30.300 0.149 0.000 1.094 130 R HN 0.298 nan 8.270 nan 0.000 0.457 131 G N 0.931 109.887 108.800 0.260 0.000 2.677 131 G HA2 0.526 4.512 3.960 0.044 0.000 0.291 131 G HA3 0.526 4.512 3.960 0.044 0.000 0.291 131 G C -1.646 173.426 174.900 0.287 0.000 1.435 131 G CA -0.662 44.564 45.100 0.210 0.000 0.826 131 G HN 0.518 nan 8.290 nan 0.000 0.491 132 S N -1.082 114.739 115.700 0.200 0.000 2.547 132 S HA 0.884 5.381 4.470 0.044 0.000 0.281 132 S C -0.257 174.374 174.600 0.053 0.000 1.118 132 S CA -0.207 58.169 58.200 0.293 0.000 0.947 132 S CB 1.775 65.266 63.200 0.485 0.000 1.053 132 S HN 1.646 nan 8.310 nan 0.000 0.482 133 A N 1.458 124.256 122.820 -0.036 0.000 2.515 133 A HA 1.025 5.371 4.320 0.044 0.000 0.296 133 A C -0.959 176.423 177.584 -0.338 0.000 1.094 133 A CA -0.762 51.030 52.037 -0.409 0.000 0.718 133 A CB 1.638 20.231 19.000 -0.679 0.000 1.307 133 A HN 1.413 nan 8.150 nan 0.000 0.408 134 A N 0.747 123.221 122.820 -0.576 0.000 2.594 134 A HA 0.708 5.055 4.320 0.044 0.000 0.295 134 A C -0.987 176.407 177.584 -0.317 0.000 1.071 134 A CA -0.672 51.184 52.037 -0.300 0.000 0.685 134 A CB 0.716 19.639 19.000 -0.128 0.000 1.285 134 A HN 0.883 nan 8.150 nan 0.000 0.405 135 H N -0.033 119.088 119.070 0.086 0.000 2.629 135 H HA 0.579 5.161 4.556 0.043 0.000 0.357 135 H C 0.699 176.036 175.328 0.016 0.000 1.121 135 H CA 1.266 57.408 56.048 0.156 0.000 1.406 135 H CB 1.617 31.456 29.762 0.129 0.000 1.456 135 H HN 1.082 nan 8.280 nan 0.000 0.579 136 G N 0.953 109.850 108.800 0.163 0.000 2.578 136 G HA2 0.399 4.385 3.960 0.044 0.000 0.302 136 G HA3 0.399 4.385 3.960 0.044 0.000 0.302 136 G C -1.974 173.063 174.900 0.227 0.000 1.243 136 G CA -0.669 44.492 45.100 0.102 0.000 0.843 136 G HN 0.631 nan 8.290 nan 0.000 0.486 137 Y N -1.910 118.426 120.300 0.060 0.000 2.625 137 Y HA 0.839 5.416 4.550 0.044 0.000 0.338 137 Y C -1.841 174.194 175.900 0.224 0.000 1.123 137 Y CA -1.963 56.218 58.100 0.135 0.000 1.046 137 Y CB 1.955 40.466 38.460 0.084 0.000 1.299 137 Y HN 0.802 nan 8.280 nan 0.000 0.464 138 F N 1.938 122.030 119.950 0.235 0.000 2.576 138 F HA 0.679 5.233 4.527 0.044 0.000 0.313 138 F C -1.358 174.629 175.800 0.312 0.000 1.078 138 F CA -0.611 57.532 58.000 0.238 0.000 0.921 138 F CB 2.434 41.727 39.000 0.489 0.000 1.232 138 F HN 0.782 nan 8.300 nan 0.000 0.459 139 Q N 7.128 126.380 119.800 -0.914 0.000 2.268 139 Q HA 0.462 4.828 4.340 0.044 0.000 0.266 139 Q C -2.949 172.415 176.000 -1.060 0.000 1.006 139 Q CA -2.323 53.100 55.803 -0.632 0.000 0.824 139 Q CB 3.080 31.729 28.738 -0.149 0.000 1.306 139 Q HN 0.371 nan 8.270 nan 0.000 0.424 140 P HA 0.060 nan 4.420 nan 0.000 0.276 140 P C -0.399 176.722 177.300 -0.299 0.000 1.244 140 P CA 0.005 62.816 63.100 -0.482 0.000 0.801 140 P CB 0.718 32.338 31.700 -0.134 0.000 1.006 141 Y N 0.524 120.762 120.300 -0.103 0.000 2.314 141 Y HA -0.058 4.519 4.550 0.044 0.000 0.293 141 Y C 1.541 177.413 175.900 -0.046 0.000 1.129 141 Y CA 0.626 58.688 58.100 -0.064 0.000 1.201 141 Y CB 0.184 38.616 38.460 -0.047 0.000 0.999 141 Y HN 0.368 nan 8.280 nan 0.000 0.541 142 K N -0.993 119.465 120.400 0.096 0.000 2.555 142 K HA 0.386 4.733 4.320 0.044 0.000 0.279 142 K C -0.930 175.672 176.600 0.003 0.000 0.986 142 K CA -0.934 55.382 56.287 0.047 0.000 0.880 142 K CB 1.602 34.133 32.500 0.052 0.000 1.474 142 K HN -0.247 nan 8.250 nan 0.000 0.433 143 S N 1.206 116.906 115.700 -0.001 0.000 2.537 143 S HA 0.126 4.623 4.470 0.044 0.000 0.286 143 S C 0.445 175.031 174.600 -0.023 0.000 1.299 143 S CA -0.593 57.597 58.200 -0.017 0.000 1.067 143 S CB -0.231 62.963 63.200 -0.010 0.000 0.864 143 S HN 0.543 nan 8.310 nan 0.000 0.494 144 L N 5.012 126.209 121.223 -0.044 0.000 2.848 144 L HA 0.130 4.497 4.340 0.044 0.000 0.240 144 L C 2.008 178.859 176.870 -0.031 0.000 1.232 144 L CA -0.081 54.740 54.840 -0.031 0.000 1.031 144 L CB -0.351 41.691 42.059 -0.029 0.000 1.338 144 L HN 0.848 nan 8.230 nan 0.000 0.509 145 S N -1.803 113.878 115.700 -0.032 0.000 2.419 145 S HA -0.170 4.326 4.470 0.044 0.000 0.233 145 S C 1.278 175.860 174.600 -0.030 0.000 1.016 145 S CA 0.956 59.136 58.200 -0.034 0.000 0.974 145 S CB -0.134 63.051 63.200 -0.026 0.000 0.786 145 S HN 0.409 nan 8.310 nan 0.000 0.492 146 D N 2.121 122.509 120.400 -0.020 0.000 2.263 146 D HA -0.014 4.652 4.640 0.044 0.000 0.208 146 D C 1.793 178.076 176.300 -0.028 0.000 0.971 146 D CA 1.421 55.410 54.000 -0.020 0.000 0.867 146 D CB -0.229 40.565 40.800 -0.011 0.000 0.929 146 D HN 0.816 nan 8.370 nan 0.000 0.492 147 I N -4.295 116.260 120.570 -0.026 0.000 4.323 147 I HA 0.228 4.424 4.170 0.044 0.000 0.328 147 I C 0.376 176.454 176.117 -0.065 0.000 1.310 147 I CA -0.060 61.218 61.300 -0.037 0.000 1.186 147 I CB 1.225 39.225 38.000 0.000 0.000 1.130 147 I HN -0.249 nan 8.210 nan 0.000 0.411 148 T N 1.814 116.331 114.554 -0.061 0.000 3.041 148 T HA 0.297 4.673 4.350 0.044 0.000 0.321 148 T C -0.086 174.561 174.700 -0.088 0.000 1.184 148 T CA -0.707 61.338 62.100 -0.092 0.000 1.050 148 T CB 1.719 70.525 68.868 -0.104 0.000 1.159 148 T HN 0.418 nan 8.240 nan 0.000 0.469 149 K N 2.709 123.055 120.400 -0.090 0.000 2.476 149 K HA 0.537 4.883 4.320 0.044 0.000 0.196 149 K C 0.666 177.228 176.600 -0.063 0.000 1.025 149 K CA -0.363 55.883 56.287 -0.068 0.000 1.138 149 K CB 0.156 32.621 32.500 -0.059 0.000 0.860 149 K HN 0.487 nan 8.250 nan 0.000 0.515 150 A N 2.005 124.766 122.820 -0.099 0.000 2.522 150 A HA -0.033 4.313 4.320 0.044 0.000 0.256 150 A C 0.548 178.101 177.584 -0.052 0.000 1.086 150 A CA -0.032 51.960 52.037 -0.074 0.000 0.763 150 A CB 0.145 19.041 19.000 -0.173 0.000 1.024 150 A HN 0.474 nan 8.150 nan 0.000 0.502 151 D N 2.201 122.639 120.400 0.063 0.000 2.149 151 D HA -0.236 4.431 4.640 0.044 0.000 0.198 151 D C 1.363 177.735 176.300 0.121 0.000 0.990 151 D CA 2.273 56.322 54.000 0.082 0.000 0.839 151 D CB -0.244 40.623 40.800 0.111 0.000 0.948 151 D HN 0.736 nan 8.370 nan 0.000 0.460 152 F N -0.604 119.362 119.950 0.026 0.000 2.546 152 F HA 0.128 4.682 4.527 0.045 0.000 0.298 152 F C 1.075 176.955 175.800 0.134 0.000 1.120 152 F CA 0.403 58.459 58.000 0.093 0.000 1.456 152 F CB -0.263 38.785 39.000 0.081 0.000 1.088 152 F HN -0.068 nan 8.300 nan 0.000 0.572 153 L N 0.938 121.857 121.223 -0.506 0.000 2.741 153 L HA 0.193 4.559 4.340 0.044 0.000 0.237 153 L C 1.746 178.522 176.870 -0.156 0.000 1.178 153 L CA 0.311 54.913 54.840 -0.398 0.000 0.973 153 L CB -0.166 41.551 42.059 -0.570 0.000 1.255 153 L HN 0.348 nan 8.230 nan 0.000 0.498 154 S N -2.725 112.931 115.700 -0.072 0.000 2.535 154 S HA 0.097 4.594 4.470 0.044 0.000 0.214 154 S C 0.284 174.879 174.600 -0.009 0.000 0.980 154 S CA -0.260 57.919 58.200 -0.035 0.000 0.907 154 S CB 0.274 63.468 63.200 -0.011 0.000 0.790 154 S HN 0.329 nan 8.310 nan 0.000 0.510 155 D N 0.687 121.089 120.400 0.002 0.000 2.804 155 D HA 0.262 4.928 4.640 0.044 0.000 0.209 155 D C -2.614 173.696 176.300 0.017 0.000 1.314 155 D CA -1.446 52.563 54.000 0.015 0.000 0.894 155 D CB 2.065 42.883 40.800 0.029 0.000 1.615 155 D HN -0.134 nan 8.370 nan 0.000 0.571 156 P HA -0.057 nan 4.420 nan 0.000 0.225 156 P C 0.525 177.838 177.300 0.021 0.000 1.148 156 P CA 0.532 63.640 63.100 0.012 0.000 0.779 156 P CB 0.461 32.180 31.700 0.030 0.000 0.780 157 N N -0.064 118.654 118.700 0.029 0.000 2.467 157 N HA -0.033 4.733 4.740 0.044 0.000 0.184 157 N C 0.773 176.311 175.510 0.046 0.000 1.106 157 N CA 0.484 53.554 53.050 0.033 0.000 0.892 157 N CB -0.076 38.428 38.487 0.028 0.000 0.969 157 N HN 0.316 nan 8.380 nan 0.000 0.454 158 K N 1.617 122.054 120.400 0.061 0.000 2.262 158 K HA 0.224 4.571 4.320 0.044 0.000 0.282 158 K C -0.556 176.128 176.600 0.139 0.000 1.066 158 K CA -0.490 55.855 56.287 0.097 0.000 0.901 158 K CB 0.462 33.031 32.500 0.115 0.000 1.089 158 K HN 0.005 nan 8.250 nan 0.000 0.476 159 I N 1.933 122.588 120.570 0.143 0.000 2.377 159 I HA 0.314 4.511 4.170 0.044 0.000 0.293 159 I C -0.942 175.335 176.117 0.267 0.000 0.987 159 I CA 0.188 61.607 61.300 0.198 0.000 1.185 159 I CB 2.090 40.170 38.000 0.133 0.000 1.341 159 I HN 0.378 nan 8.210 nan 0.000 0.455 160 T N 8.091 122.889 114.554 0.407 0.000 2.770 160 T HA 0.495 4.872 4.350 0.044 0.000 0.283 160 T C -2.529 172.431 174.700 0.433 0.000 0.988 160 T CA -1.044 61.324 62.100 0.447 0.000 0.957 160 T CB 1.322 70.561 68.868 0.618 0.000 0.930 160 T HN 0.461 nan 8.240 nan 0.000 0.443 161 P HA 0.304 nan 4.420 nan 0.000 0.272 161 P C -0.748 176.783 177.300 0.384 0.000 1.223 161 P CA -0.459 62.835 63.100 0.323 0.000 0.784 161 P CB 0.602 32.425 31.700 0.204 0.000 0.923 162 V N -1.027 119.060 119.914 0.290 0.000 3.078 162 V HA 0.726 4.873 4.120 0.044 0.000 0.311 162 V C -1.369 174.882 176.094 0.260 0.000 1.138 162 V CA -0.913 61.464 62.300 0.128 0.000 1.007 162 V CB 2.215 33.897 31.823 -0.235 0.000 1.045 162 V HN 0.326 nan 8.190 nan 0.000 0.432 163 F N 1.870 121.800 119.950 -0.033 0.000 2.539 163 F HA 0.860 5.412 4.527 0.043 0.000 0.318 163 F C -0.910 174.791 175.800 -0.165 0.000 1.135 163 F CA -0.767 57.157 58.000 -0.126 0.000 0.915 163 F CB 2.061 41.017 39.000 -0.073 0.000 1.176 163 F HN 0.521 nan 8.300 nan 0.000 0.440 164 V N 6.519 125.982 119.914 -0.751 0.000 2.588 164 V HA 0.566 4.713 4.120 0.044 0.000 0.304 164 V C -0.757 174.675 176.094 -1.103 0.000 1.042 164 V CA -0.844 60.938 62.300 -0.864 0.000 0.877 164 V CB 1.965 33.190 31.823 -0.996 0.000 0.996 164 V HN 0.746 nan 8.190 nan 0.000 0.425 165 R N 3.668 123.515 120.500 -1.089 0.000 2.480 165 R HA 0.654 5.020 4.340 0.044 0.000 0.306 165 R C -1.611 174.089 176.300 -1.000 0.000 0.958 165 R CA -0.417 55.137 56.100 -0.911 0.000 0.861 165 R CB 1.197 31.124 30.300 -0.622 0.000 1.171 165 R HN 0.538 nan 8.270 nan 0.000 0.445 166 F N 1.766 121.301 119.950 -0.692 0.000 2.440 166 F HA 0.538 5.091 4.527 0.043 0.000 0.328 166 F C 0.479 175.928 175.800 -0.587 0.000 1.070 166 F CA -0.221 57.258 58.000 -0.868 0.000 1.011 166 F CB 2.143 40.127 39.000 -1.695 0.000 1.226 166 F HN 0.631 nan 8.300 nan 0.000 0.491 167 S N -1.230 114.393 115.700 -0.127 0.000 2.615 167 S HA 0.647 5.144 4.470 0.044 0.000 0.269 167 S C -0.603 174.132 174.600 0.224 0.000 1.161 167 S CA -0.859 57.414 58.200 0.122 0.000 0.817 167 S CB 1.372 64.701 63.200 0.215 0.000 1.131 167 S HN 0.722 nan 8.310 nan 0.000 0.467 168 T N -1.573 113.108 114.554 0.212 0.000 2.891 168 T HA 0.700 5.077 4.350 0.044 0.000 0.294 168 T C 0.770 175.425 174.700 -0.075 0.000 1.065 168 T CA -0.130 62.053 62.100 0.138 0.000 0.936 168 T CB 0.303 69.260 68.868 0.148 0.000 1.415 168 T HN 0.590 nan 8.240 nan 0.000 0.572 169 V N -0.175 119.659 119.914 -0.134 0.000 2.948 169 V HA 0.125 4.271 4.120 0.044 0.000 0.234 169 V C 2.726 178.745 176.094 -0.124 0.000 1.205 169 V CA 0.320 62.414 62.300 -0.343 0.000 1.234 169 V CB -0.184 31.532 31.823 -0.178 0.000 1.020 169 V HN 0.854 nan 8.190 nan 0.000 0.491 170 Q N 1.055 120.817 119.800 -0.064 0.000 2.062 170 Q HA 0.057 4.423 4.340 0.044 0.000 0.196 170 Q C 1.275 177.251 176.000 -0.040 0.000 0.967 170 Q CA 1.437 57.201 55.803 -0.065 0.000 0.832 170 Q CB -0.284 28.398 28.738 -0.094 0.000 0.899 170 Q HN 0.582 nan 8.270 nan 0.000 0.442 171 G N -0.175 108.614 108.800 -0.017 0.000 2.606 171 G HA2 0.392 4.379 3.960 0.044 0.000 0.252 171 G HA3 0.392 4.379 3.960 0.044 0.000 0.252 171 G C 0.100 175.007 174.900 0.012 0.000 1.206 171 G CA 0.061 45.156 45.100 -0.009 0.000 0.861 171 G HN 0.339 nan 8.290 nan 0.000 0.561 172 G N -1.166 107.637 108.800 0.005 0.000 2.651 172 G HA2 0.477 4.464 3.960 0.044 0.000 0.260 172 G HA3 0.477 4.464 3.960 0.044 0.000 0.260 172 G C 1.321 176.249 174.900 0.048 0.000 1.216 172 G CA 0.431 45.544 45.100 0.021 0.000 0.913 172 G HN 1.073 nan 8.290 nan 0.000 0.535 173 A N -0.564 122.296 122.820 0.065 0.000 2.024 173 A HA 0.111 4.457 4.320 0.044 0.000 0.220 173 A C 2.194 179.815 177.584 0.062 0.000 1.164 173 A CA 1.993 54.088 52.037 0.095 0.000 0.643 173 A CB -0.352 18.721 19.000 0.121 0.000 0.806 173 A HN 1.135 nan 8.150 nan 0.000 0.451 174 G N -0.255 108.563 108.800 0.029 0.000 3.434 174 G HA2 0.341 4.328 3.960 0.044 0.000 0.258 174 G HA3 0.341 4.328 3.960 0.044 0.000 0.258 174 G C 0.672 175.571 174.900 -0.002 0.000 1.128 174 G CA 0.657 45.759 45.100 0.003 0.000 0.792 174 G HN 0.661 nan 8.290 nan 0.000 0.539 175 S N -0.198 115.510 115.700 0.012 0.000 2.661 175 S HA 0.742 5.238 4.470 0.044 0.000 0.265 175 S C 0.418 175.028 174.600 0.017 0.000 1.225 175 S CA -0.041 58.162 58.200 0.006 0.000 0.986 175 S CB 1.629 64.834 63.200 0.008 0.000 1.008 175 S HN 0.573 nan 8.310 nan 0.000 0.565 176 A N 0.127 122.952 122.820 0.008 0.000 2.293 176 A HA 0.488 4.834 4.320 0.044 0.000 0.302 176 A C 0.538 178.134 177.584 0.020 0.000 1.119 176 A CA -0.665 51.371 52.037 -0.002 0.000 0.823 176 A CB 0.108 19.090 19.000 -0.031 0.000 1.097 176 A HN 0.855 nan 8.150 nan 0.000 0.491 177 D N 0.514 120.914 120.400 -0.001 0.000 2.137 177 D HA -0.065 4.601 4.640 0.044 0.000 0.202 177 D C 1.559 177.806 176.300 -0.088 0.000 0.970 177 D CA 2.250 56.254 54.000 0.006 0.000 0.837 177 D CB -0.178 40.583 40.800 -0.065 0.000 0.981 177 D HN 0.671 nan 8.370 nan 0.000 0.475 178 T N -0.253 114.174 114.554 -0.211 0.000 3.332 178 T HA 0.299 4.675 4.350 0.044 0.000 0.246 178 T C 0.805 175.465 174.700 -0.067 0.000 0.943 178 T CA -0.595 61.364 62.100 -0.235 0.000 0.922 178 T CB -0.895 67.752 68.868 -0.368 0.000 1.086 178 T HN -0.079 nan 8.240 nan 0.000 0.590 179 V N -1.106 118.826 119.914 0.029 0.000 3.237 179 V HA 0.407 4.554 4.120 0.044 0.000 0.305 179 V C 0.725 176.951 176.094 0.220 0.000 1.096 179 V CA -1.350 61.023 62.300 0.122 0.000 1.130 179 V CB 0.332 32.219 31.823 0.107 0.000 1.048 179 V HN 0.596 nan 8.190 nan 0.000 0.484 180 R N 1.714 122.413 120.500 0.332 0.000 2.216 180 R HA 0.470 4.837 4.340 0.044 0.000 0.332 180 R C -0.989 175.388 176.300 0.128 0.000 1.056 180 R CA -0.069 56.174 56.100 0.238 0.000 0.901 180 R CB 0.212 30.595 30.300 0.138 0.000 1.039 180 R HN 1.059 nan 8.270 nan 0.000 0.456 181 D N 3.436 123.922 120.400 0.142 0.000 2.694 181 D HA 0.161 4.827 4.640 0.044 0.000 0.260 181 D C -0.449 175.959 176.300 0.181 0.000 1.250 181 D CA -0.628 53.445 54.000 0.122 0.000 0.763 181 D CB 1.190 42.051 40.800 0.101 0.000 1.311 181 D HN 0.243 nan 8.370 nan 0.000 0.420 182 I N 1.452 122.147 120.570 0.209 0.000 2.892 182 I HA 0.116 4.312 4.170 0.044 0.000 0.287 182 I C 0.893 177.146 176.117 0.226 0.000 1.205 182 I CA 0.233 61.669 61.300 0.227 0.000 1.409 182 I CB -0.185 37.987 38.000 0.286 0.000 1.367 182 I HN 0.253 nan 8.210 nan 0.000 0.597 183 R N 3.024 123.680 120.500 0.260 0.000 2.637 183 R HA 0.551 4.918 4.340 0.044 0.000 0.291 183 R C -0.047 176.441 176.300 0.313 0.000 0.963 183 R CA -0.758 55.510 56.100 0.280 0.000 0.901 183 R CB 1.526 32.013 30.300 0.311 0.000 1.160 183 R HN 0.804 nan 8.270 nan 0.000 0.457 184 G N 0.879 109.885 108.800 0.342 0.000 2.476 184 G HA2 0.450 4.436 3.960 0.044 0.000 0.269 184 G HA3 0.450 4.436 3.960 0.044 0.000 0.269 184 G C -1.218 173.780 174.900 0.163 0.000 1.195 184 G CA -0.033 45.257 45.100 0.317 0.000 0.843 184 G HN 0.363 nan 8.290 nan 0.000 0.545 185 F N 1.648 121.520 119.950 -0.130 0.000 3.090 185 F HA 0.624 5.178 4.527 0.044 0.000 0.381 185 F C -0.227 175.296 175.800 -0.462 0.000 1.231 185 F CA -1.761 56.059 58.000 -0.301 0.000 1.177 185 F CB 0.935 39.866 39.000 -0.114 0.000 1.598 185 F HN 0.674 nan 8.300 nan 0.000 0.589 186 A N 3.197 125.761 122.820 -0.426 0.000 2.318 186 A HA 0.805 5.151 4.320 0.044 0.000 0.324 186 A C -0.618 176.552 177.584 -0.689 0.000 1.170 186 A CA -0.461 51.183 52.037 -0.655 0.000 0.810 186 A CB 0.891 19.188 19.000 -1.172 0.000 1.198 186 A HN 0.526 nan 8.150 nan 0.000 0.484 187 T N 2.218 116.527 114.554 -0.408 0.000 2.809 187 T HA 0.382 4.758 4.350 0.044 0.000 0.284 187 T C -0.360 174.159 174.700 -0.302 0.000 0.992 187 T CA -0.467 61.385 62.100 -0.412 0.000 0.957 187 T CB 1.062 69.600 68.868 -0.550 0.000 0.942 187 T HN 0.621 nan 8.240 nan 0.000 0.439 188 K N 3.569 123.859 120.400 -0.185 0.000 2.268 188 K HA 0.421 4.768 4.320 0.044 0.000 0.276 188 K C -1.214 175.063 176.600 -0.538 0.000 1.080 188 K CA -0.585 55.497 56.287 -0.342 0.000 0.910 188 K CB 0.222 32.464 32.500 -0.430 0.000 1.163 188 K HN 0.405 nan 8.250 nan 0.000 0.465 189 F N 4.290 123.963 119.950 -0.463 0.000 2.404 189 F HA 0.217 4.771 4.527 0.045 0.000 0.358 189 F C -0.347 175.260 175.800 -0.320 0.000 1.120 189 F CA -0.574 57.219 58.000 -0.344 0.000 1.144 189 F CB 0.596 39.306 39.000 -0.484 0.000 1.133 189 F HN 0.434 nan 8.300 nan 0.000 0.495 190 Y N 1.882 122.246 120.300 0.106 0.000 2.714 190 Y HA 0.213 4.789 4.550 0.043 0.000 0.333 190 Y C 1.021 176.979 175.900 0.098 0.000 1.220 190 Y CA -0.871 57.269 58.100 0.066 0.000 1.513 190 Y CB -0.106 38.381 38.460 0.045 0.000 1.435 190 Y HN 0.546 nan 8.280 nan 0.000 0.489 191 T N -2.232 112.421 114.554 0.164 0.000 2.874 191 T HA 0.162 4.538 4.350 0.044 0.000 0.281 191 T C 0.939 175.729 174.700 0.151 0.000 0.994 191 T CA -0.724 61.472 62.100 0.161 0.000 1.015 191 T CB 1.047 69.983 68.868 0.112 0.000 1.028 191 T HN 0.657 nan 8.240 nan 0.000 0.523 192 E N 0.113 120.405 120.200 0.153 0.000 2.516 192 E HA -0.023 4.354 4.350 0.044 0.000 0.199 192 E C 0.858 177.521 176.600 0.106 0.000 1.069 192 E CA 0.597 57.070 56.400 0.122 0.000 0.876 192 E CB 0.102 29.870 29.700 0.113 0.000 0.843 192 E HN 0.741 nan 8.360 nan 0.000 0.530 193 E N 0.105 120.370 120.200 0.108 0.000 2.812 193 E HA 0.270 4.647 4.350 0.044 0.000 0.211 193 E C 0.040 176.686 176.600 0.077 0.000 0.986 193 E CA -0.279 56.177 56.400 0.093 0.000 1.119 193 E CB 1.446 31.203 29.700 0.095 0.000 1.046 193 E HN 0.178 nan 8.360 nan 0.000 0.474 194 G N 1.205 110.045 108.800 0.066 0.000 2.362 194 G HA2 -0.078 3.908 3.960 0.044 0.000 0.656 194 G HA3 -0.078 3.908 3.960 0.044 0.000 0.656 194 G C -0.919 173.988 174.900 0.013 0.000 1.376 194 G CA -1.138 43.979 45.100 0.028 0.000 0.971 194 G HN 0.026 nan 8.290 nan 0.000 0.636 195 I N 1.015 121.557 120.570 -0.047 0.000 2.587 195 I HA 0.261 4.457 4.170 0.044 0.000 0.284 195 I C 0.134 176.258 176.117 0.011 0.000 1.134 195 I CA 0.144 61.388 61.300 -0.094 0.000 1.410 195 I CB 0.476 38.343 38.000 -0.220 0.000 1.392 195 I HN 0.432 nan 8.210 nan 0.000 0.545 196 F N 7.166 127.010 119.950 -0.176 0.000 2.411 196 F HA 0.430 4.984 4.527 0.045 0.000 0.352 196 F C -0.385 175.378 175.800 -0.062 0.000 1.123 196 F CA -1.202 56.695 58.000 -0.171 0.000 1.044 196 F CB 0.687 39.428 39.000 -0.431 0.000 1.135 196 F HN 0.354 nan 8.300 nan 0.000 0.461 197 D N 7.009 127.238 120.400 -0.284 0.000 2.303 197 D HA 0.257 4.924 4.640 0.044 0.000 0.236 197 D C -0.702 175.149 176.300 -0.748 0.000 1.068 197 D CA 0.002 53.768 54.000 -0.390 0.000 0.830 197 D CB 2.283 43.042 40.800 -0.069 0.000 1.109 197 D HN 0.624 nan 8.370 nan 0.000 0.496 198 L N 3.097 123.833 121.223 -0.810 0.000 2.283 198 L HA 0.294 4.661 4.340 0.044 0.000 0.281 198 L C -0.971 175.688 176.870 -0.351 0.000 1.033 198 L CA -0.638 53.794 54.840 -0.679 0.000 0.848 198 L CB 0.810 42.471 42.059 -0.664 0.000 1.226 198 L HN 0.057 nan 8.230 nan 0.000 0.429 199 V N 5.415 125.165 119.914 -0.274 0.000 2.240 199 V HA 0.491 4.637 4.120 0.044 0.000 0.265 199 V C 0.786 176.801 176.094 -0.131 0.000 1.073 199 V CA -0.299 61.853 62.300 -0.247 0.000 0.857 199 V CB 0.533 32.159 31.823 -0.329 0.000 1.114 199 V HN 0.817 nan 8.190 nan 0.000 0.469 200 G N 2.993 111.734 108.800 -0.099 0.000 2.820 200 G HA2 0.661 4.647 3.960 0.044 0.000 0.291 200 G HA3 0.661 4.647 3.960 0.044 0.000 0.291 200 G C -0.841 174.103 174.900 0.073 0.000 1.323 200 G CA -0.571 44.527 45.100 -0.004 0.000 1.055 200 G HN 0.467 nan 8.290 nan 0.000 0.520 201 N N -1.068 117.719 118.700 0.145 0.000 2.701 201 N HA 0.262 5.029 4.740 0.044 0.000 0.290 201 N C 0.264 175.955 175.510 0.303 0.000 1.338 201 N CA -0.748 52.441 53.050 0.232 0.000 0.799 201 N CB 1.428 40.043 38.487 0.214 0.000 1.491 201 N HN 0.540 nan 8.380 nan 0.000 0.540 202 N N -1.358 117.533 118.700 0.319 0.000 2.235 202 N HA 0.009 4.775 4.740 0.044 0.000 0.209 202 N C -0.476 175.296 175.510 0.437 0.000 1.122 202 N CA -0.133 53.164 53.050 0.411 0.000 0.845 202 N CB 0.014 38.715 38.487 0.357 0.000 1.004 202 N HN 0.544 nan 8.380 nan 0.000 0.499 203 T N -3.219 111.405 114.554 0.116 0.000 2.916 203 T HA 0.475 4.851 4.350 0.044 0.000 0.292 203 T C -2.633 171.409 174.700 -1.097 0.000 1.055 203 T CA -1.611 60.102 62.100 -0.645 0.000 1.009 203 T CB 2.949 71.323 68.868 -0.822 0.000 1.118 203 T HN -0.236 nan 8.240 nan 0.000 0.497 204 P HA 0.233 nan 4.420 nan 0.000 0.253 204 P C 0.335 177.102 177.300 -0.888 0.000 1.260 204 P CA -0.004 62.166 63.100 -1.551 0.000 0.800 204 P CB -0.143 30.642 31.700 -1.525 0.000 1.162 205 I N -4.763 115.275 120.570 -0.888 0.000 3.354 205 I HA 0.554 4.750 4.170 0.044 0.000 0.316 205 I C -1.516 174.326 176.117 -0.457 0.000 1.182 205 I CA -1.773 59.151 61.300 -0.627 0.000 0.942 205 I CB 1.508 39.088 38.000 -0.699 0.000 1.299 205 I HN -0.244 nan 8.210 nan 0.000 0.473 206 F N 0.002 119.655 119.950 -0.495 0.000 2.639 206 F HA 0.528 5.081 4.527 0.044 0.000 0.339 206 F C 0.251 175.798 175.800 -0.422 0.000 1.071 206 F CA -0.718 57.028 58.000 -0.423 0.000 0.994 206 F CB 1.989 40.876 39.000 -0.190 0.000 1.341 206 F HN 0.367 nan 8.300 nan 0.000 0.498 207 F N 2.088 121.350 119.950 -1.146 0.000 2.325 207 F HA 0.089 4.643 4.527 0.044 0.000 0.299 207 F C 0.606 176.159 175.800 -0.410 0.000 1.090 207 F CA 0.634 58.129 58.000 -0.842 0.000 1.392 207 F CB -0.125 37.983 39.000 -1.488 0.000 1.053 207 F HN 0.120 nan 8.300 nan 0.000 0.521 208 I N -3.328 117.269 120.570 0.045 0.000 2.892 208 I HA 0.383 4.579 4.170 0.044 0.000 0.306 208 I C 0.406 176.669 176.117 0.243 0.000 1.078 208 I CA -0.840 60.570 61.300 0.184 0.000 1.032 208 I CB 1.919 40.079 38.000 0.266 0.000 1.229 208 I HN -0.177 nan 8.210 nan 0.000 0.435 209 Q N 0.532 120.473 119.800 0.235 0.000 2.204 209 Q HA 0.115 4.482 4.340 0.044 0.000 0.198 209 Q C -0.238 175.936 176.000 0.290 0.000 0.946 209 Q CA 0.806 56.786 55.803 0.295 0.000 0.859 209 Q CB 0.394 29.378 28.738 0.410 0.000 0.946 209 Q HN 0.652 nan 8.270 nan 0.000 0.474 210 D N -1.331 119.211 120.400 0.237 0.000 2.505 210 D HA 0.303 4.970 4.640 0.044 0.000 0.249 210 D C -0.095 176.324 176.300 0.199 0.000 1.082 210 D CA -0.215 53.894 54.000 0.181 0.000 0.839 210 D CB 1.839 42.722 40.800 0.138 0.000 1.317 210 D HN 0.045 nan 8.370 nan 0.000 0.497 211 A N 3.335 126.240 122.820 0.143 0.000 2.019 211 A HA -0.230 4.117 4.320 0.044 0.000 0.219 211 A C 1.781 179.473 177.584 0.180 0.000 1.164 211 A CA 1.605 53.715 52.037 0.122 0.000 0.644 211 A CB -0.733 18.284 19.000 0.027 0.000 0.805 211 A HN 0.809 nan 8.150 nan 0.000 0.449 212 H N 0.239 119.361 119.070 0.086 0.000 2.426 212 H HA -0.057 4.525 4.556 0.045 0.000 0.298 212 H C 1.605 177.008 175.328 0.125 0.000 1.107 212 H CA 2.017 58.111 56.048 0.076 0.000 1.298 212 H CB 0.057 29.843 29.762 0.040 0.000 1.377 212 H HN 0.420 nan 8.280 nan 0.000 0.519 213 K N -0.662 119.864 120.400 0.210 0.000 2.444 213 K HA -0.048 4.298 4.320 0.044 0.000 0.193 213 K C 1.561 178.305 176.600 0.239 0.000 1.024 213 K CA 0.105 56.518 56.287 0.210 0.000 1.077 213 K CB 0.024 32.705 32.500 0.302 0.000 0.833 213 K HN 0.302 nan 8.250 nan 0.000 0.517 214 F N 2.889 122.888 119.950 0.082 0.000 2.126 214 F HA -0.149 4.404 4.527 0.043 0.000 0.299 214 F C -0.984 174.833 175.800 0.028 0.000 1.096 214 F CA 1.284 59.355 58.000 0.119 0.000 1.255 214 F CB -0.343 38.706 39.000 0.082 0.000 0.997 214 F HN 0.021 nan 8.300 nan 0.000 0.479 215 P HA -0.104 nan 4.420 nan 0.000 0.221 215 P C 0.954 177.964 177.300 -0.482 0.000 1.150 215 P CA 1.421 64.313 63.100 -0.346 0.000 0.800 215 P CB -0.036 31.454 31.700 -0.349 0.000 0.787 216 D N -1.029 119.225 120.400 -0.244 0.000 2.084 216 D HA -0.166 4.501 4.640 0.044 0.000 0.194 216 D C 1.766 177.817 176.300 -0.415 0.000 0.990 216 D CA 1.149 55.048 54.000 -0.167 0.000 0.826 216 D CB -0.817 40.048 40.800 0.109 0.000 0.971 216 D HN 0.161 nan 8.370 nan 0.000 0.453 217 F N 1.748 121.301 119.950 -0.660 0.000 2.134 217 F HA -0.196 4.357 4.527 0.044 0.000 0.299 217 F C 2.211 177.618 175.800 -0.655 0.000 1.097 217 F CA 1.032 58.402 58.000 -1.051 0.000 1.264 217 F CB -0.159 38.454 39.000 -0.645 0.000 1.001 217 F HN -0.251 nan 8.300 nan 0.000 0.479 218 V N 0.388 119.938 119.914 -0.607 0.000 2.358 218 V HA -0.317 3.830 4.120 0.044 0.000 0.246 218 V C 2.293 178.186 176.094 -0.336 0.000 1.047 218 V CA 2.392 64.354 62.300 -0.562 0.000 1.035 218 V CB -1.038 30.457 31.823 -0.547 0.000 0.658 218 V HN 0.463 nan 8.190 nan 0.000 0.452 219 H N -0.168 118.688 119.070 -0.358 0.000 2.387 219 H HA -0.170 4.413 4.556 0.044 0.000 0.299 219 H C 2.319 177.497 175.328 -0.249 0.000 1.099 219 H CA 1.136 57.046 56.048 -0.230 0.000 1.315 219 H CB 0.030 29.708 29.762 -0.140 0.000 1.380 219 H HN 0.490 nan 8.280 nan 0.000 0.513 220 A N 0.392 123.041 122.820 -0.285 0.000 1.930 220 A HA -0.102 4.244 4.320 0.044 0.000 0.217 220 A C 2.515 179.939 177.584 -0.266 0.000 1.175 220 A CA 1.335 53.197 52.037 -0.291 0.000 0.627 220 A CB -0.665 18.049 19.000 -0.477 0.000 0.815 220 A HN 0.300 nan 8.150 nan 0.000 0.443 221 V N -0.167 119.465 119.914 -0.470 0.000 2.649 221 V HA -0.005 4.142 4.120 0.044 0.000 0.248 221 V C 0.925 176.973 176.094 -0.076 0.000 1.054 221 V CA 0.855 62.946 62.300 -0.348 0.000 1.073 221 V CB -0.455 30.948 31.823 -0.700 0.000 0.699 221 V HN 0.343 nan 8.190 nan 0.000 0.463 222 K N 0.934 121.260 120.400 -0.123 0.000 2.187 222 K HA 0.210 4.556 4.320 0.044 0.000 0.247 222 K C -2.278 174.275 176.600 -0.078 0.000 1.019 222 K CA -1.566 54.665 56.287 -0.092 0.000 0.893 222 K CB -0.373 32.065 32.500 -0.104 0.000 1.025 222 K HN 0.171 nan 8.250 nan 0.000 0.500 223 P HA -0.030 nan 4.420 nan 0.000 0.264 223 P C -0.565 176.671 177.300 -0.107 0.000 1.183 223 P CA 0.475 63.443 63.100 -0.220 0.000 0.763 223 P CB 0.362 31.940 31.700 -0.203 0.000 0.807 224 E N 5.383 125.561 120.200 -0.036 0.000 2.383 224 E HA 0.016 4.393 4.350 0.044 0.000 0.264 224 E C -1.275 175.398 176.600 0.121 0.000 1.050 224 E CA -1.371 55.114 56.400 0.142 0.000 0.896 224 E CB 0.210 30.114 29.700 0.339 0.000 0.982 224 E HN 0.425 nan 8.360 nan 0.000 0.424 225 P HA -0.178 nan 4.420 nan 0.000 0.229 225 P C 0.892 178.264 177.300 0.121 0.000 1.160 225 P CA 1.240 64.378 63.100 0.064 0.000 0.777 225 P CB 0.083 31.792 31.700 0.015 0.000 0.814 226 H N -0.760 118.349 119.070 0.066 0.000 2.333 226 H HA -0.065 4.518 4.556 0.045 0.000 0.302 226 H C 1.400 176.827 175.328 0.165 0.000 1.075 226 H CA 1.366 57.439 56.048 0.042 0.000 1.348 226 H CB -1.301 28.413 29.762 -0.080 0.000 1.393 226 H HN 0.299 nan 8.280 nan 0.000 0.509 227 W N -0.022 120.926 121.300 -0.586 0.000 2.870 227 W HA 0.703 5.389 4.660 0.044 0.000 0.358 227 W C 0.484 176.837 176.519 -0.276 0.000 1.043 227 W CA -1.196 55.923 57.345 -0.377 0.000 1.692 227 W CB -0.751 28.460 29.460 -0.415 0.000 1.100 227 W HN 0.422 nan 8.180 nan 0.000 0.557 228 A N 1.304 124.103 122.820 -0.035 0.000 2.610 228 A HA -0.157 4.189 4.320 0.044 0.000 0.299 228 A C -0.372 176.979 177.584 -0.388 0.000 1.487 228 A CA 1.445 53.378 52.037 -0.173 0.000 0.743 228 A CB -2.394 16.532 19.000 -0.124 0.000 1.070 228 A HN 0.467 nan 8.150 nan 0.000 0.439 229 I N 0.488 120.675 120.570 -0.639 0.000 2.647 229 I HA 0.551 4.747 4.170 0.044 0.000 0.295 229 I C -2.468 173.321 176.117 -0.548 0.000 1.078 229 I CA -2.378 58.441 61.300 -0.803 0.000 1.048 229 I CB 2.969 39.975 38.000 -1.656 0.000 1.239 229 I HN 0.207 nan 8.210 nan 0.000 0.421 230 P HA 0.327 nan 4.420 nan 0.000 0.292 230 P C -1.613 175.521 177.300 -0.276 0.000 1.300 230 P CA -0.864 62.011 63.100 -0.376 0.000 0.900 230 P CB 1.753 33.303 31.700 -0.251 0.000 1.139 231 Q N 0.648 120.331 119.800 -0.194 0.000 2.267 231 Q HA 0.504 4.870 4.340 0.044 0.000 0.255 231 Q C 1.062 177.019 176.000 -0.071 0.000 0.923 231 Q CA 0.948 56.673 55.803 -0.129 0.000 0.925 231 Q CB -0.151 28.522 28.738 -0.108 0.000 1.195 231 Q HN 0.823 nan 8.270 nan 0.000 0.417 232 G N 3.116 111.884 108.800 -0.053 0.000 2.153 232 G HA2 -0.278 3.708 3.960 0.044 0.000 0.252 232 G HA3 -0.278 3.708 3.960 0.044 0.000 0.252 232 G C -0.381 174.527 174.900 0.013 0.000 0.994 232 G CA 0.442 45.536 45.100 -0.010 0.000 0.698 232 G HN 0.538 nan 8.290 nan 0.000 0.521 233 Q N -0.902 118.892 119.800 -0.011 0.000 2.289 233 Q HA 0.542 4.909 4.340 0.044 0.000 0.270 233 Q C 0.712 176.711 176.000 -0.002 0.000 1.038 233 Q CA -0.083 55.740 55.803 0.034 0.000 0.812 233 Q CB 1.800 30.602 28.738 0.107 0.000 1.300 233 Q HN 0.450 nan 8.270 nan 0.000 0.427 234 S N -0.413 115.182 115.700 -0.176 0.000 2.575 234 S HA 0.181 4.677 4.470 0.044 0.000 0.215 234 S C 0.943 175.458 174.600 -0.141 0.000 0.966 234 S CA 0.022 57.893 58.200 -0.548 0.000 0.911 234 S CB 0.313 62.582 63.200 -1.551 0.000 0.780 234 S HN 0.597 nan 8.310 nan 0.000 0.514 235 A N 2.311 125.253 122.820 0.203 0.000 3.051 235 A HA 0.494 4.840 4.320 0.044 0.000 0.257 235 A C 0.163 177.984 177.584 0.394 0.000 1.785 235 A CA -0.539 51.708 52.037 0.350 0.000 1.420 235 A CB -1.286 17.862 19.000 0.247 0.000 1.063 235 A HN 0.898 nan 8.150 nan 0.000 0.630 236 H N -3.921 115.333 119.070 0.306 0.000 3.017 236 H HA 0.520 5.102 4.556 0.045 0.000 0.346 236 H C -0.238 175.283 175.328 0.322 0.000 1.286 236 H CA -0.743 55.456 56.048 0.252 0.000 1.120 236 H CB 0.280 30.148 29.762 0.175 0.000 1.860 236 H HN 0.045 nan 8.280 nan 0.000 0.542 237 D N 0.120 120.695 120.400 0.292 0.000 2.133 237 D HA -0.197 4.469 4.640 0.044 0.000 0.195 237 D C 2.052 178.418 176.300 0.110 0.000 0.997 237 D CA 2.975 57.083 54.000 0.181 0.000 0.840 237 D CB -0.333 40.551 40.800 0.139 0.000 0.947 237 D HN 0.777 nan 8.370 nan 0.000 0.452 238 T N -1.751 112.860 114.554 0.095 0.000 2.821 238 T HA -0.160 4.216 4.350 0.044 0.000 0.267 238 T C 1.898 176.537 174.700 -0.102 0.000 1.046 238 T CA 0.523 62.647 62.100 0.039 0.000 1.139 238 T CB -0.683 68.259 68.868 0.123 0.000 0.871 238 T HN 0.141 nan 8.240 nan 0.000 0.454 239 F N 0.926 120.566 119.950 -0.517 0.000 2.075 239 F HA 0.072 4.625 4.527 0.044 0.000 0.297 239 F C 1.850 177.369 175.800 -0.468 0.000 1.113 239 F CA 0.779 58.386 58.000 -0.655 0.000 1.218 239 F CB -0.602 37.806 39.000 -0.987 0.000 0.984 239 F HN 0.144 nan 8.300 nan 0.000 0.472 240 W N 0.547 121.790 121.300 -0.095 0.000 2.467 240 W HA -0.079 4.608 4.660 0.044 0.000 0.275 240 W C 2.290 178.738 176.519 -0.117 0.000 1.239 240 W CA 0.955 58.233 57.345 -0.112 0.000 1.266 240 W CB -0.637 28.834 29.460 0.018 0.000 1.112 240 W HN 0.073 nan 8.180 nan 0.000 0.576 241 D N -0.454 119.996 120.400 0.084 0.000 2.092 241 D HA -0.301 4.366 4.640 0.044 0.000 0.193 241 D C 1.883 178.187 176.300 0.007 0.000 0.994 241 D CA 1.523 55.551 54.000 0.047 0.000 0.828 241 D CB -0.593 40.243 40.800 0.059 0.000 0.963 241 D HN 0.190 nan 8.370 nan 0.000 0.450 242 Y N 0.364 120.564 120.300 -0.166 0.000 2.128 242 Y HA -0.222 4.355 4.550 0.045 0.000 0.284 242 Y C 2.270 178.043 175.900 -0.212 0.000 1.154 242 Y CA 1.562 59.549 58.100 -0.189 0.000 1.149 242 Y CB -0.371 37.927 38.460 -0.269 0.000 0.976 242 Y HN -0.098 nan 8.280 nan 0.000 0.505 243 V N -0.031 119.770 119.914 -0.188 0.000 2.295 243 V HA -0.327 3.819 4.120 0.044 0.000 0.246 243 V C 2.588 178.639 176.094 -0.070 0.000 1.049 243 V CA 2.187 64.375 62.300 -0.188 0.000 1.024 243 V CB -1.165 30.441 31.823 -0.363 0.000 0.648 243 V HN 0.657 nan 8.190 nan 0.000 0.447 244 S N -0.185 115.518 115.700 0.004 0.000 2.419 244 S HA -0.073 4.423 4.470 0.044 0.000 0.233 244 S C 1.758 176.334 174.600 -0.039 0.000 1.016 244 S CA 1.354 59.577 58.200 0.038 0.000 0.974 244 S CB -0.489 62.759 63.200 0.079 0.000 0.786 244 S HN 0.549 nan 8.310 nan 0.000 0.492 245 L N -0.003 121.147 121.223 -0.122 0.000 2.567 245 L HA 0.290 4.656 4.340 0.044 0.000 0.225 245 L C 0.590 177.293 176.870 -0.279 0.000 1.119 245 L CA 0.243 54.980 54.840 -0.171 0.000 0.871 245 L CB -0.012 41.946 42.059 -0.169 0.000 1.036 245 L HN 0.273 nan 8.230 nan 0.000 0.459 246 Q N 0.070 119.665 119.800 -0.342 0.000 3.244 246 Q HA 0.222 4.588 4.340 0.044 0.000 0.249 246 Q C -1.944 173.843 176.000 -0.355 0.000 0.951 246 Q CA -1.372 54.181 55.803 -0.417 0.000 0.740 246 Q CB 1.501 29.866 28.738 -0.623 0.000 1.334 246 Q HN -0.002 nan 8.270 nan 0.000 0.448 247 P HA -0.210 nan 4.420 nan 0.000 0.225 247 P C 1.012 178.027 177.300 -0.475 0.000 1.148 247 P CA 1.045 63.904 63.100 -0.401 0.000 0.779 247 P CB 0.258 31.693 31.700 -0.441 0.000 0.780 248 E N 0.855 120.633 120.200 -0.703 0.000 2.219 248 E HA -0.201 4.175 4.350 0.044 0.000 0.198 248 E C 1.410 177.966 176.600 -0.074 0.000 0.998 248 E CA 1.940 58.167 56.400 -0.288 0.000 0.818 248 E CB -1.355 28.246 29.700 -0.166 0.000 0.741 248 E HN 0.292 nan 8.360 nan 0.000 0.477 249 T N -0.768 113.753 114.554 -0.055 0.000 3.072 249 T HA 0.003 4.379 4.350 0.044 0.000 0.266 249 T C 1.894 176.669 174.700 0.125 0.000 1.127 249 T CA 0.515 62.657 62.100 0.071 0.000 1.107 249 T CB -0.258 68.691 68.868 0.134 0.000 0.910 249 T HN 0.154 nan 8.240 nan 0.000 0.513 250 L N -0.198 121.096 121.223 0.118 0.000 2.156 250 L HA 0.006 4.373 4.340 0.044 0.000 0.208 250 L C 2.834 179.871 176.870 0.279 0.000 1.095 250 L CA 1.409 56.390 54.840 0.235 0.000 0.770 250 L CB -0.693 41.513 42.059 0.245 0.000 0.914 250 L HN 0.446 nan 8.230 nan 0.000 0.439 251 H N 0.102 119.217 119.070 0.074 0.000 2.290 251 H HA -0.230 4.353 4.556 0.044 0.000 0.298 251 H C 2.108 177.422 175.328 -0.023 0.000 1.087 251 H CA 1.938 58.021 56.048 0.058 0.000 1.291 251 H CB 0.239 30.000 29.762 -0.002 0.000 1.369 251 H HN 0.365 nan 8.280 nan 0.000 0.492 252 N N -0.231 118.281 118.700 -0.313 0.000 2.331 252 N HA -0.114 4.652 4.740 0.044 0.000 0.180 252 N C 1.927 177.233 175.510 -0.340 0.000 1.019 252 N CA 0.576 53.204 53.050 -0.703 0.000 0.881 252 N CB 0.320 37.878 38.487 -1.548 0.000 0.972 252 N HN 0.109 nan 8.380 nan 0.000 0.435 253 V N 1.686 121.638 119.914 0.062 0.000 2.343 253 V HA -0.254 3.892 4.120 0.044 0.000 0.247 253 V C 2.494 178.719 176.094 0.218 0.000 1.051 253 V CA 1.247 63.743 62.300 0.326 0.000 1.036 253 V CB -0.359 31.718 31.823 0.423 0.000 0.654 253 V HN 0.403 nan 8.190 nan 0.000 0.451 254 M N -1.610 118.158 119.600 0.279 0.000 2.106 254 M HA -0.226 4.280 4.480 0.044 0.000 0.259 254 M C 2.056 178.360 176.300 0.007 0.000 1.068 254 M CA 1.930 57.400 55.300 0.283 0.000 1.100 254 M CB -1.268 31.524 32.600 0.321 0.000 1.351 254 M HN 0.472 nan 8.290 nan 0.000 0.404 255 W N 0.423 121.467 121.300 -0.427 0.000 2.355 255 W HA -0.096 4.590 4.660 0.044 0.000 0.309 255 W C 2.817 179.257 176.519 -0.132 0.000 1.206 255 W CA 1.947 58.993 57.345 -0.498 0.000 1.284 255 W CB -1.025 28.069 29.460 -0.609 0.000 1.145 255 W HN 0.292 nan 8.180 nan 0.000 0.502 256 A N -0.772 122.123 122.820 0.125 0.000 1.933 256 A HA -0.190 4.157 4.320 0.044 0.000 0.218 256 A C 1.936 179.570 177.584 0.085 0.000 1.175 256 A CA 1.709 53.828 52.037 0.137 0.000 0.628 256 A CB -0.580 18.541 19.000 0.202 0.000 0.814 256 A HN 0.115 nan 8.150 nan 0.000 0.444 257 M N 0.530 120.141 119.600 0.018 0.000 2.419 257 M HA 0.026 4.532 4.480 0.044 0.000 0.264 257 M C 1.470 177.815 176.300 0.075 0.000 1.082 257 M CA 0.757 56.007 55.300 -0.084 0.000 1.119 257 M CB -1.274 31.031 32.600 -0.493 0.000 1.398 257 M HN 0.549 nan 8.290 nan 0.000 0.453 258 S N 0.036 115.839 115.700 0.172 0.000 2.641 258 S HA 0.097 4.593 4.470 0.044 0.000 0.261 258 S C 0.743 175.479 174.600 0.227 0.000 1.257 258 S CA -0.450 57.896 58.200 0.243 0.000 0.983 258 S CB 0.935 64.327 63.200 0.319 0.000 0.990 258 S HN 0.175 nan 8.310 nan 0.000 0.572 259 D N 0.229 120.785 120.400 0.259 0.000 2.378 259 D HA 0.012 4.679 4.640 0.044 0.000 0.222 259 D C 1.861 178.312 176.300 0.251 0.000 0.980 259 D CA 0.367 54.540 54.000 0.289 0.000 0.907 259 D CB -0.154 40.890 40.800 0.407 0.000 0.899 259 D HN 0.385 nan 8.370 nan 0.000 0.527 260 R N 0.131 120.771 120.500 0.234 0.000 2.159 260 R HA -0.065 4.301 4.340 0.044 0.000 0.237 260 R C 2.083 178.541 176.300 0.263 0.000 1.131 260 R CA 1.038 57.299 56.100 0.269 0.000 0.982 260 R CB -0.792 29.728 30.300 0.367 0.000 0.868 260 R HN 0.195 nan 8.270 nan 0.000 0.453 261 G N 1.291 110.232 108.800 0.236 0.000 2.598 261 G HA2 -0.047 3.939 3.960 0.044 0.000 0.215 261 G HA3 -0.047 3.939 3.960 0.044 0.000 0.215 261 G C 1.056 176.097 174.900 0.235 0.000 1.131 261 G CA 0.173 45.402 45.100 0.216 0.000 0.785 261 G HN 0.423 nan 8.290 nan 0.000 0.539 262 I N -1.988 118.732 120.570 0.249 0.000 2.926 262 I HA 0.359 4.555 4.170 0.044 0.000 0.295 262 I C -2.878 173.392 176.117 0.254 0.000 1.463 262 I CA -2.577 58.874 61.300 0.252 0.000 0.892 262 I CB 1.751 39.901 38.000 0.250 0.000 1.874 262 I HN -0.252 nan 8.210 nan 0.000 0.620 263 P HA 0.098 nan 4.420 nan 0.000 0.272 263 P C 0.514 177.959 177.300 0.241 0.000 1.230 263 P CA -0.197 63.022 63.100 0.197 0.000 0.788 263 P CB 1.249 33.010 31.700 0.103 0.000 0.949 264 R N 1.325 121.940 120.500 0.191 0.000 2.115 264 R HA 0.046 4.412 4.340 0.044 0.000 0.226 264 R C 0.371 176.802 176.300 0.218 0.000 1.100 264 R CA 1.322 57.575 56.100 0.254 0.000 0.980 264 R CB -0.390 30.030 30.300 0.200 0.000 0.875 264 R HN 0.554 nan 8.270 nan 0.000 0.445 265 S N -2.680 112.941 115.700 -0.132 0.000 2.565 265 S HA 0.190 4.687 4.470 0.044 0.000 0.274 265 S C -0.412 173.861 174.600 -0.544 0.000 1.144 265 S CA -0.869 57.089 58.200 -0.404 0.000 0.849 265 S CB 0.026 63.138 63.200 -0.148 0.000 1.103 265 S HN 0.094 nan 8.310 nan 0.000 0.455 266 Y N 2.366 122.275 120.300 -0.652 0.000 2.403 266 Y HA 0.046 4.622 4.550 0.043 0.000 0.291 266 Y C 2.375 177.930 175.900 -0.575 0.000 1.143 266 Y CA 1.174 58.775 58.100 -0.832 0.000 1.257 266 Y CB -0.366 37.167 38.460 -1.546 0.000 0.984 266 Y HN 0.581 nan 8.280 nan 0.000 0.550 267 R N -0.573 119.799 120.500 -0.215 0.000 2.189 267 R HA -0.057 4.310 4.340 0.044 0.000 0.223 267 R C 1.157 177.424 176.300 -0.055 0.000 1.092 267 R CA 1.559 57.590 56.100 -0.114 0.000 0.989 267 R CB -0.423 29.802 30.300 -0.126 0.000 0.876 267 R HN 0.341 nan 8.270 nan 0.000 0.457 268 T N -1.823 112.709 114.554 -0.036 0.000 3.308 268 T HA 0.349 4.725 4.350 0.044 0.000 0.270 268 T C 0.203 174.945 174.700 0.070 0.000 0.992 268 T CA -0.672 61.435 62.100 0.011 0.000 0.931 268 T CB -0.113 68.746 68.868 -0.015 0.000 1.142 268 T HN 0.073 nan 8.240 nan 0.000 0.525 269 M N -1.123 118.558 119.600 0.135 0.000 2.644 269 M HA 0.730 5.236 4.480 0.044 0.000 0.304 269 M C -0.999 175.477 176.300 0.293 0.000 1.215 269 M CA -0.898 54.523 55.300 0.201 0.000 0.871 269 M CB 2.100 34.815 32.600 0.191 0.000 1.740 269 M HN -0.160 nan 8.290 nan 0.000 0.464 270 E N 0.504 120.871 120.200 0.279 0.000 2.345 270 E HA 0.620 4.997 4.350 0.044 0.000 0.259 270 E C -0.283 176.380 176.600 0.105 0.000 1.117 270 E CA -0.450 56.047 56.400 0.161 0.000 0.913 270 E CB 1.580 31.320 29.700 0.067 0.000 1.057 270 E HN 0.861 nan 8.360 nan 0.000 0.432 271 G N 0.835 109.530 108.800 -0.174 0.000 2.519 271 G HA2 0.636 4.622 3.960 0.044 0.000 0.307 271 G HA3 0.636 4.622 3.960 0.044 0.000 0.307 271 G C -1.465 172.997 174.900 -0.730 0.000 1.266 271 G CA -0.473 44.499 45.100 -0.214 0.000 0.970 271 G HN 0.290 nan 8.290 nan 0.000 0.481 272 F N -0.474 119.421 119.950 -0.092 0.000 2.608 272 F HA 0.485 5.038 4.527 0.044 0.000 0.309 272 F C 1.102 176.820 175.800 -0.136 0.000 1.103 272 F CA -0.490 57.379 58.000 -0.218 0.000 0.954 272 F CB 2.455 41.274 39.000 -0.302 0.000 1.267 272 F HN 0.614 nan 8.300 nan 0.000 0.444 273 G N 0.467 109.339 108.800 0.120 0.000 2.534 273 G HA2 0.320 4.306 3.960 0.044 0.000 0.217 273 G HA3 0.320 4.306 3.960 0.044 0.000 0.217 273 G C 1.366 176.349 174.900 0.139 0.000 1.128 273 G CA 0.695 45.929 45.100 0.222 0.000 0.784 273 G HN 1.350 nan 8.290 nan 0.000 0.542 274 G N 0.077 108.864 108.800 -0.022 0.000 4.148 274 G HA2 -0.321 3.666 3.960 0.044 0.000 0.221 274 G HA3 -0.321 3.666 3.960 0.044 0.000 0.221 274 G C 0.585 175.296 174.900 -0.314 0.000 1.373 274 G CA 0.525 45.456 45.100 -0.283 0.000 0.940 274 G HN 0.664 nan 8.290 nan 0.000 0.610 275 H N 1.509 120.585 119.070 0.009 0.000 2.508 275 H HA 0.487 5.069 4.556 0.044 0.000 0.358 275 H C 0.127 175.379 175.328 -0.128 0.000 1.212 275 H CA 0.571 56.528 56.048 -0.152 0.000 1.356 275 H CB 0.489 29.999 29.762 -0.419 0.000 1.525 275 H HN 0.280 nan 8.280 nan 0.000 0.578 276 T N 3.146 117.664 114.554 -0.058 0.000 2.779 276 T HA 0.211 4.588 4.350 0.044 0.000 0.296 276 T C 0.155 174.767 174.700 -0.146 0.000 0.938 276 T CA 0.122 62.180 62.100 -0.070 0.000 1.119 276 T CB -0.261 68.538 68.868 -0.115 0.000 0.891 276 T HN 0.227 nan 8.240 nan 0.000 0.526 277 F N 1.189 121.094 119.950 -0.074 0.000 2.697 277 F HA 0.661 5.214 4.527 0.044 0.000 0.386 277 F C 1.011 176.762 175.800 -0.081 0.000 1.154 277 F CA -1.368 56.610 58.000 -0.038 0.000 1.108 277 F CB 1.402 40.352 39.000 -0.084 0.000 1.429 277 F HN 0.192 nan 8.300 nan 0.000 0.509 278 R N 0.549 121.107 120.500 0.095 0.000 2.740 278 R HA 0.629 4.995 4.340 0.044 0.000 0.282 278 R C -1.568 174.615 176.300 -0.195 0.000 0.969 278 R CA -0.883 55.136 56.100 -0.134 0.000 0.918 278 R CB 1.975 32.126 30.300 -0.248 0.000 1.175 278 R HN 0.418 nan 8.270 nan 0.000 0.464 279 L N 3.340 124.402 121.223 -0.269 0.000 2.343 279 L HA 0.520 4.886 4.340 0.044 0.000 0.275 279 L C -0.309 176.397 176.870 -0.274 0.000 1.056 279 L CA -0.840 53.848 54.840 -0.254 0.000 0.804 279 L CB 1.015 42.932 42.059 -0.237 0.000 1.203 279 L HN 0.361 nan 8.230 nan 0.000 0.440 280 I N 2.453 122.885 120.570 -0.230 0.000 2.447 280 I HA 0.256 4.453 4.170 0.044 0.000 0.287 280 I C -0.345 175.677 176.117 -0.158 0.000 1.023 280 I CA -0.704 60.460 61.300 -0.226 0.000 1.083 280 I CB 1.400 39.272 38.000 -0.215 0.000 1.245 280 I HN 0.639 nan 8.210 nan 0.000 0.434 281 N N 4.900 123.520 118.700 -0.133 0.000 2.448 281 N HA 0.399 5.166 4.740 0.044 0.000 0.274 281 N C 0.906 176.370 175.510 -0.076 0.000 1.239 281 N CA -0.275 52.718 53.050 -0.094 0.000 0.982 281 N CB 0.603 39.044 38.487 -0.077 0.000 1.199 281 N HN 0.514 nan 8.380 nan 0.000 0.576 282 A N -0.491 122.295 122.820 -0.057 0.000 1.972 282 A HA -0.144 4.202 4.320 0.044 0.000 0.219 282 A C 1.720 179.281 177.584 -0.038 0.000 1.169 282 A CA 1.489 53.499 52.037 -0.045 0.000 0.635 282 A CB -0.893 18.087 19.000 -0.033 0.000 0.810 282 A HN 0.741 nan 8.150 nan 0.000 0.446 283 E N -1.300 118.878 120.200 -0.036 0.000 2.409 283 E HA 0.151 4.528 4.350 0.044 0.000 0.198 283 E C 1.350 177.937 176.600 -0.020 0.000 1.024 283 E CA 0.878 57.262 56.400 -0.027 0.000 0.861 283 E CB -0.327 29.357 29.700 -0.026 0.000 0.788 283 E HN 0.804 nan 8.360 nan 0.000 0.521 284 G N 0.541 109.324 108.800 -0.028 0.000 2.175 284 G HA2 -0.343 3.643 3.960 0.044 0.000 0.244 284 G HA3 -0.343 3.643 3.960 0.044 0.000 0.244 284 G C 0.320 175.225 174.900 0.008 0.000 0.982 284 G CA 0.263 45.364 45.100 0.003 0.000 0.641 284 G HN 0.293 nan 8.290 nan 0.000 0.527 285 K N 0.948 121.315 120.400 -0.056 0.000 2.322 285 K HA 0.661 5.007 4.320 0.044 0.000 0.283 285 K C 0.610 177.059 176.600 -0.252 0.000 1.042 285 K CA 0.246 56.472 56.287 -0.102 0.000 0.958 285 K CB 0.574 33.022 32.500 -0.088 0.000 0.984 285 K HN 0.558 nan 8.250 nan 0.000 0.473 286 A N 3.384 125.941 122.820 -0.439 0.000 2.301 286 A HA 0.439 4.785 4.320 0.044 0.000 0.312 286 A C -0.723 176.549 177.584 -0.521 0.000 1.182 286 A CA -0.473 51.154 52.037 -0.683 0.000 0.826 286 A CB 1.111 19.267 19.000 -1.405 0.000 1.134 286 A HN 0.721 nan 8.150 nan 0.000 0.501 287 T N 2.091 116.376 114.554 -0.447 0.000 2.861 287 T HA 0.554 4.930 4.350 0.044 0.000 0.287 287 T C -0.624 173.865 174.700 -0.352 0.000 1.003 287 T CA -0.101 61.788 62.100 -0.352 0.000 0.977 287 T CB 0.571 69.324 68.868 -0.191 0.000 0.996 287 T HN 0.342 nan 8.240 nan 0.000 0.448 288 F N 1.795 121.656 119.950 -0.148 0.000 2.418 288 F HA 0.553 5.107 4.527 0.044 0.000 0.341 288 F C 0.563 176.253 175.800 -0.184 0.000 1.120 288 F CA -0.411 57.499 58.000 -0.150 0.000 1.232 288 F CB 0.726 39.662 39.000 -0.107 0.000 1.175 288 F HN 0.191 nan 8.300 nan 0.000 0.569 289 V N 4.210 124.091 119.914 -0.055 0.000 2.888 289 V HA 0.586 4.732 4.120 0.044 0.000 0.309 289 V C -1.084 174.798 176.094 -0.353 0.000 1.114 289 V CA -0.758 61.361 62.300 -0.300 0.000 0.940 289 V CB 2.138 33.563 31.823 -0.663 0.000 1.021 289 V HN 0.770 nan 8.190 nan 0.000 0.426 290 R N 4.774 125.112 120.500 -0.271 0.000 2.480 290 R HA 0.533 4.899 4.340 0.044 0.000 0.306 290 R C -1.566 174.673 176.300 -0.101 0.000 0.958 290 R CA -0.485 55.500 56.100 -0.191 0.000 0.861 290 R CB 1.866 32.171 30.300 0.008 0.000 1.171 290 R HN 0.602 nan 8.270 nan 0.000 0.445 291 F N 2.507 122.503 119.950 0.078 0.000 2.399 291 F HA 0.307 4.861 4.527 0.044 0.000 0.342 291 F C 1.031 176.774 175.800 -0.094 0.000 1.106 291 F CA 0.146 58.151 58.000 0.009 0.000 1.196 291 F CB 0.684 39.584 39.000 -0.166 0.000 1.163 291 F HN 0.211 nan 8.300 nan 0.000 0.547 292 H N 1.078 120.159 119.070 0.017 0.000 2.806 292 H HA 0.229 4.812 4.556 0.044 0.000 0.367 292 H C -1.557 173.580 175.328 -0.318 0.000 1.136 292 H CA -0.984 54.980 56.048 -0.140 0.000 1.178 292 H CB 1.864 31.632 29.762 0.010 0.000 1.718 292 H HN 0.678 nan 8.280 nan 0.000 0.540 293 W N 2.517 123.705 121.300 -0.186 0.000 2.532 293 W HA 0.322 5.009 4.660 0.044 0.000 0.321 293 W C -0.108 176.436 176.519 0.042 0.000 1.037 293 W CA -0.774 56.517 57.345 -0.091 0.000 1.220 293 W CB 1.823 31.047 29.460 -0.393 0.000 1.361 293 W HN 0.288 nan 8.180 nan 0.000 0.468 294 K N 5.680 126.354 120.400 0.457 0.000 2.213 294 K HA 0.401 4.747 4.320 0.044 0.000 0.270 294 K C -2.414 174.429 176.600 0.405 0.000 1.002 294 K CA -1.871 54.626 56.287 0.349 0.000 0.868 294 K CB 1.459 34.114 32.500 0.258 0.000 1.093 294 K HN 0.045 nan 8.250 nan 0.000 0.454 295 P HA 0.061 nan 4.420 nan 0.000 0.282 295 P C 0.362 177.684 177.300 0.037 0.000 1.274 295 P CA -0.142 63.051 63.100 0.154 0.000 0.770 295 P CB 0.811 32.612 31.700 0.168 0.000 0.867 296 L N 2.758 123.944 121.223 -0.061 0.000 2.376 296 L HA -0.050 4.316 4.340 0.044 0.000 0.219 296 L C 2.188 179.042 176.870 -0.026 0.000 1.133 296 L CA 1.045 55.880 54.840 -0.009 0.000 0.816 296 L CB -0.617 41.442 42.059 0.000 0.000 0.933 296 L HN 0.343 nan 8.230 nan 0.000 0.449 297 A N 0.160 122.936 122.820 -0.074 0.000 2.235 297 A HA 0.377 4.724 4.320 0.044 0.000 0.208 297 A C 1.307 178.891 177.584 -0.001 0.000 1.172 297 A CA 0.712 52.723 52.037 -0.043 0.000 0.786 297 A CB -0.502 18.453 19.000 -0.075 0.000 0.804 297 A HN 0.472 nan 8.150 nan 0.000 0.479 298 G N -0.704 108.111 108.800 0.025 0.000 2.796 298 G HA2 -0.157 3.830 3.960 0.044 0.000 0.571 298 G HA3 -0.157 3.830 3.960 0.044 0.000 0.571 298 G C -0.583 174.351 174.900 0.056 0.000 1.370 298 G CA -0.328 44.806 45.100 0.057 0.000 0.856 298 G HN 0.484 nan 8.290 nan 0.000 0.538 299 K N 0.170 120.608 120.400 0.063 0.000 2.185 299 K HA 0.713 5.059 4.320 0.044 0.000 0.269 299 K C 0.150 176.747 176.600 -0.006 0.000 0.987 299 K CA 0.188 56.494 56.287 0.033 0.000 0.865 299 K CB 1.790 34.297 32.500 0.011 0.000 1.090 299 K HN 1.393 nan 8.250 nan 0.000 0.450 300 A N 1.834 124.636 122.820 -0.030 0.000 2.517 300 A HA 0.578 4.924 4.320 0.044 0.000 0.297 300 A C -1.091 176.527 177.584 0.057 0.000 1.050 300 A CA -0.669 51.302 52.037 -0.111 0.000 0.694 300 A CB 1.670 20.430 19.000 -0.400 0.000 1.277 300 A HN 0.517 nan 8.150 nan 0.000 0.400 301 S N 0.753 116.644 115.700 0.318 0.000 2.638 301 S HA 0.754 5.250 4.470 0.044 0.000 0.302 301 S C 0.054 174.961 174.600 0.512 0.000 1.096 301 S CA -0.598 57.836 58.200 0.389 0.000 0.953 301 S CB 1.148 64.570 63.200 0.370 0.000 1.107 301 S HN 0.637 nan 8.310 nan 0.000 0.503 302 L N 1.370 122.786 121.223 0.323 0.000 2.482 302 L HA 0.497 4.863 4.340 0.044 0.000 0.242 302 L C 0.134 177.128 176.870 0.207 0.000 1.210 302 L CA -0.728 54.228 54.840 0.194 0.000 0.819 302 L CB 0.105 42.176 42.059 0.020 0.000 1.203 302 L HN 0.475 nan 8.230 nan 0.000 0.495 303 V N -3.014 116.922 119.914 0.038 0.000 2.850 303 V HA 0.180 4.327 4.120 0.044 0.000 0.315 303 V C 0.678 176.720 176.094 -0.087 0.000 1.064 303 V CA -0.777 61.518 62.300 -0.007 0.000 0.979 303 V CB 1.597 33.392 31.823 -0.046 0.000 1.039 303 V HN 0.937 nan 8.190 nan 0.000 0.452 304 W N 1.882 123.050 121.300 -0.219 0.000 2.333 304 W HA -0.228 4.458 4.660 0.044 0.000 0.316 304 W C 1.837 178.193 176.519 -0.271 0.000 1.215 304 W CA 2.574 59.778 57.345 -0.234 0.000 1.278 304 W CB -0.119 29.184 29.460 -0.262 0.000 1.154 304 W HN 1.006 nan 8.180 nan 0.000 0.486 305 D N 0.204 120.335 120.400 -0.448 0.000 2.149 305 D HA -0.301 4.366 4.640 0.044 0.000 0.198 305 D C 2.144 178.086 176.300 -0.596 0.000 0.990 305 D CA 2.162 55.864 54.000 -0.496 0.000 0.839 305 D CB -0.478 40.286 40.800 -0.061 0.000 0.948 305 D HN 0.401 nan 8.370 nan 0.000 0.460 306 E N -0.459 119.253 120.200 -0.812 0.000 2.072 306 E HA -0.159 4.217 4.350 0.044 0.000 0.190 306 E C 2.022 178.257 176.600 -0.609 0.000 0.982 306 E CA 0.922 56.765 56.400 -0.929 0.000 0.803 306 E CB -0.200 28.811 29.700 -1.150 0.000 0.755 306 E HN 0.303 nan 8.360 nan 0.000 0.453 307 A N 1.280 123.766 122.820 -0.557 0.000 1.877 307 A HA -0.256 4.091 4.320 0.044 0.000 0.216 307 A C 2.196 179.424 177.584 -0.593 0.000 1.186 307 A CA 1.769 53.522 52.037 -0.473 0.000 0.620 307 A CB -0.714 18.120 19.000 -0.277 0.000 0.822 307 A HN 0.431 nan 8.150 nan 0.000 0.443 308 Q N -0.584 118.651 119.800 -0.941 0.000 2.084 308 Q HA -0.207 4.159 4.340 0.044 0.000 0.202 308 Q C 2.139 177.856 176.000 -0.471 0.000 0.978 308 Q CA 1.979 57.262 55.803 -0.867 0.000 0.844 308 Q CB -0.127 27.844 28.738 -1.277 0.000 0.898 308 Q HN 0.667 nan 8.270 nan 0.000 0.426 309 K N -0.178 119.966 120.400 -0.427 0.000 2.217 309 K HA -0.121 4.225 4.320 0.044 0.000 0.202 309 K C 1.951 178.406 176.600 -0.242 0.000 1.051 309 K CA 0.519 56.650 56.287 -0.260 0.000 0.952 309 K CB 0.016 32.400 32.500 -0.193 0.000 0.736 309 K HN 0.153 nan 8.250 nan 0.000 0.453 310 L N 1.070 122.101 121.223 -0.319 0.000 2.217 310 L HA -0.088 4.278 4.340 0.044 0.000 0.211 310 L C 2.066 178.793 176.870 -0.238 0.000 1.107 310 L CA 1.989 56.641 54.840 -0.313 0.000 0.783 310 L CB -0.762 41.015 42.059 -0.470 0.000 0.919 310 L HN 0.317 nan 8.230 nan 0.000 0.442 311 T N -4.080 110.336 114.554 -0.231 0.000 2.897 311 T HA -0.078 4.299 4.350 0.044 0.000 0.271 311 T C 1.832 176.466 174.700 -0.111 0.000 1.084 311 T CA 1.030 63.037 62.100 -0.154 0.000 1.123 311 T CB -0.969 67.820 68.868 -0.133 0.000 0.865 311 T HN 0.382 nan 8.240 nan 0.000 0.496 312 G N 1.315 110.044 108.800 -0.118 0.000 2.417 312 G HA2 -0.009 3.978 3.960 0.044 0.000 0.212 312 G HA3 -0.009 3.978 3.960 0.044 0.000 0.212 312 G C 1.893 176.751 174.900 -0.069 0.000 1.187 312 G CA -0.212 44.838 45.100 -0.084 0.000 0.804 312 G HN 0.312 nan 8.290 nan 0.000 0.534 313 R N 0.439 120.890 120.500 -0.081 0.000 2.075 313 R HA 0.008 4.374 4.340 0.044 0.000 0.232 313 R C -0.069 176.212 176.300 -0.032 0.000 1.126 313 R CA 0.982 57.049 56.100 -0.054 0.000 0.963 313 R CB -0.373 29.889 30.300 -0.064 0.000 0.858 313 R HN 0.340 nan 8.270 nan 0.000 0.435 314 D N -0.457 119.919 120.400 -0.040 0.000 2.381 314 D HA 0.145 4.811 4.640 0.044 0.000 0.245 314 D C -2.088 174.213 176.300 0.003 0.000 1.297 314 D CA -1.869 52.138 54.000 0.011 0.000 0.931 314 D CB 1.340 42.202 40.800 0.103 0.000 1.334 314 D HN -0.122 nan 8.370 nan 0.000 0.535 315 P HA 0.009 nan 4.420 nan 0.000 0.231 315 P C 0.004 177.304 177.300 0.001 0.000 1.158 315 P CA 0.602 63.687 63.100 -0.026 0.000 0.763 315 P CB 0.523 32.205 31.700 -0.031 0.000 0.805 316 D N -1.490 118.924 120.400 0.023 0.000 2.424 316 D HA 0.076 4.742 4.640 0.044 0.000 0.220 316 D C 1.162 177.496 176.300 0.056 0.000 1.150 316 D CA -0.451 53.567 54.000 0.030 0.000 0.831 316 D CB -0.483 40.312 40.800 -0.008 0.000 0.981 316 D HN 0.101 nan 8.370 nan 0.000 0.500 317 F N 1.386 121.277 119.950 -0.099 0.000 2.095 317 F HA -0.220 4.333 4.527 0.044 0.000 0.298 317 F C 2.067 177.840 175.800 -0.044 0.000 1.104 317 F CA 1.882 59.822 58.000 -0.099 0.000 1.232 317 F CB 0.003 38.898 39.000 -0.175 0.000 0.987 317 F HN 0.100 nan 8.300 nan 0.000 0.475 318 H N -1.115 117.917 119.070 -0.063 0.000 2.389 318 H HA -0.102 4.480 4.556 0.044 0.000 0.299 318 H C 2.398 177.620 175.328 -0.177 0.000 1.081 318 H CA 0.969 56.815 56.048 -0.336 0.000 1.345 318 H CB -0.123 29.244 29.762 -0.658 0.000 1.393 318 H HN 0.192 nan 8.280 nan 0.000 0.520 319 R N 1.270 121.859 120.500 0.149 0.000 2.081 319 R HA -0.129 4.237 4.340 0.044 0.000 0.235 319 R C 2.459 178.851 176.300 0.153 0.000 1.131 319 R CA 1.347 57.586 56.100 0.231 0.000 0.960 319 R CB -0.037 30.392 30.300 0.215 0.000 0.856 319 R HN 0.199 nan 8.270 nan 0.000 0.436 320 R N 0.315 120.827 120.500 0.020 0.000 2.075 320 R HA -0.136 4.231 4.340 0.044 0.000 0.232 320 R C 2.111 178.394 176.300 -0.028 0.000 1.126 320 R CA 1.610 57.702 56.100 -0.013 0.000 0.963 320 R CB -0.201 30.049 30.300 -0.083 0.000 0.858 320 R HN 0.267 nan 8.270 nan 0.000 0.435 321 E N 0.674 120.752 120.200 -0.203 0.000 2.077 321 E HA -0.199 4.177 4.350 0.044 0.000 0.193 321 E C 2.015 178.580 176.600 -0.058 0.000 0.989 321 E CA 1.108 57.362 56.400 -0.243 0.000 0.800 321 E CB -0.089 29.315 29.700 -0.494 0.000 0.746 321 E HN 0.263 nan 8.360 nan 0.000 0.452 322 L N 0.921 122.154 121.223 0.017 0.000 1.994 322 L HA -0.166 4.201 4.340 0.044 0.000 0.208 322 L C 2.239 179.216 176.870 0.179 0.000 1.071 322 L CA 1.889 56.794 54.840 0.109 0.000 0.745 322 L CB -0.974 41.217 42.059 0.221 0.000 0.892 322 L HN 0.324 nan 8.230 nan 0.000 0.431 323 W N 0.865 122.202 121.300 0.062 0.000 2.338 323 W HA -0.210 4.477 4.660 0.045 0.000 0.304 323 W C 2.190 178.738 176.519 0.048 0.000 1.212 323 W CA 2.134 59.527 57.345 0.080 0.000 1.264 323 W CB -0.092 29.419 29.460 0.085 0.000 1.142 323 W HN 0.375 nan 8.180 nan 0.000 0.512 324 E N -0.136 120.227 120.200 0.270 0.000 2.152 324 E HA -0.106 4.270 4.350 0.044 0.000 0.192 324 E C 2.381 179.005 176.600 0.040 0.000 0.983 324 E CA 0.981 57.466 56.400 0.142 0.000 0.818 324 E CB -0.315 29.417 29.700 0.054 0.000 0.758 324 E HN 0.165 nan 8.360 nan 0.000 0.467 325 A N 1.300 124.141 122.820 0.035 0.000 1.902 325 A HA -0.175 4.171 4.320 0.044 0.000 0.217 325 A C 2.153 179.756 177.584 0.032 0.000 1.181 325 A CA 1.068 53.118 52.037 0.022 0.000 0.623 325 A CB -0.543 18.472 19.000 0.025 0.000 0.818 325 A HN 0.139 nan 8.150 nan 0.000 0.443 326 I N -0.462 120.152 120.570 0.073 0.000 2.315 326 I HA -0.226 3.971 4.170 0.044 0.000 0.248 326 I C 2.400 178.590 176.117 0.123 0.000 1.117 326 I CA 1.347 62.745 61.300 0.164 0.000 1.404 326 I CB -0.405 37.631 38.000 0.060 0.000 1.071 326 I HN 0.431 nan 8.210 nan 0.000 0.419 327 E N 0.858 121.075 120.200 0.029 0.000 2.204 327 E HA -0.160 4.216 4.350 0.044 0.000 0.194 327 E C 2.169 178.781 176.600 0.021 0.000 0.989 327 E CA 1.142 57.569 56.400 0.045 0.000 0.824 327 E CB -0.056 29.700 29.700 0.094 0.000 0.756 327 E HN 0.496 nan 8.360 nan 0.000 0.477 328 A N 0.132 122.937 122.820 -0.024 0.000 2.169 328 A HA 0.196 4.542 4.320 0.044 0.000 0.212 328 A C 1.842 179.338 177.584 -0.147 0.000 1.153 328 A CA 1.002 53.004 52.037 -0.057 0.000 0.756 328 A CB -0.123 18.843 19.000 -0.055 0.000 0.813 328 A HN 0.339 nan 8.150 nan 0.000 0.471 329 G N -0.442 108.161 108.800 -0.328 0.000 2.176 329 G HA2 -0.209 3.778 3.960 0.044 0.000 0.253 329 G HA3 -0.209 3.778 3.960 0.044 0.000 0.253 329 G C -0.175 174.178 174.900 -0.911 0.000 0.979 329 G CA 0.250 44.803 45.100 -0.911 0.000 0.641 329 G HN 0.448 nan 8.290 nan 0.000 0.530 330 D N 1.161 121.318 120.400 -0.406 0.000 2.767 330 D HA 0.265 4.932 4.640 0.044 0.000 0.231 330 D C 0.804 177.026 176.300 -0.130 0.000 1.105 330 D CA -0.033 53.834 54.000 -0.220 0.000 1.024 330 D CB -0.800 39.975 40.800 -0.041 0.000 1.123 330 D HN 0.436 nan 8.370 nan 0.000 0.470 331 F N 1.218 121.170 119.950 0.004 0.000 2.608 331 F HA 0.088 4.641 4.527 0.044 0.000 0.380 331 F C -1.350 174.422 175.800 -0.047 0.000 1.083 331 F CA -1.898 56.097 58.000 -0.008 0.000 1.266 331 F CB -0.077 38.929 39.000 0.011 0.000 1.076 331 F HN -0.084 nan 8.300 nan 0.000 0.574 332 P HA 0.025 nan 4.420 nan 0.000 0.263 332 P C -1.040 176.196 177.300 -0.107 0.000 1.195 332 P CA 0.401 63.482 63.100 -0.032 0.000 0.762 332 P CB 0.469 32.245 31.700 0.125 0.000 0.799 333 E N 2.348 122.337 120.200 -0.352 0.000 2.266 333 E HA 0.484 4.861 4.350 0.044 0.000 0.268 333 E C -1.110 175.202 176.600 -0.481 0.000 0.879 333 E CA -0.589 55.672 56.400 -0.232 0.000 0.762 333 E CB 1.629 31.292 29.700 -0.062 0.000 1.199 333 E HN 0.369 nan 8.360 nan 0.000 0.422 334 Y N 0.225 120.599 120.300 0.123 0.000 2.470 334 Y HA 0.215 4.792 4.550 0.044 0.000 0.341 334 Y C -0.335 175.799 175.900 0.390 0.000 1.021 334 Y CA -0.959 57.285 58.100 0.241 0.000 1.025 334 Y CB 2.012 40.579 38.460 0.179 0.000 1.266 334 Y HN 0.466 nan 8.280 nan 0.000 0.448 335 E N 3.092 123.630 120.200 0.563 0.000 2.146 335 E HA 0.352 4.728 4.350 0.044 0.000 0.282 335 E C -1.322 175.590 176.600 0.520 0.000 0.989 335 E CA -0.941 55.754 56.400 0.492 0.000 0.799 335 E CB 0.927 30.848 29.700 0.369 0.000 1.088 335 E HN 0.607 nan 8.360 nan 0.000 0.397 336 L N 4.587 126.059 121.223 0.415 0.000 2.455 336 L HA 0.390 4.757 4.340 0.044 0.000 0.272 336 L C 0.013 176.838 176.870 -0.074 0.000 1.174 336 L CA 0.809 55.575 54.840 -0.124 0.000 0.869 336 L CB 0.810 42.730 42.059 -0.231 0.000 1.130 336 L HN 0.598 nan 8.230 nan 0.000 0.474 337 G N 4.593 113.359 108.800 -0.057 0.000 2.563 337 G HA2 0.577 4.563 3.960 0.044 0.000 0.302 337 G HA3 0.577 4.563 3.960 0.044 0.000 0.302 337 G C -1.548 173.501 174.900 0.249 0.000 1.301 337 G CA -0.547 44.558 45.100 0.008 0.000 0.965 337 G HN 0.465 nan 8.290 nan 0.000 0.480 338 F N 0.028 120.004 119.950 0.043 0.000 2.520 338 F HA 0.405 4.958 4.527 0.044 0.000 0.322 338 F C 0.375 176.176 175.800 0.001 0.000 1.103 338 F CA -0.965 57.063 58.000 0.048 0.000 0.926 338 F CB 2.612 41.625 39.000 0.022 0.000 1.154 338 F HN 0.130 nan 8.300 nan 0.000 0.453 339 Q N 3.971 123.893 119.800 0.204 0.000 2.278 339 Q HA 0.529 4.895 4.340 0.044 0.000 0.257 339 Q C -1.129 174.919 176.000 0.080 0.000 0.928 339 Q CA -0.502 55.363 55.803 0.105 0.000 0.932 339 Q CB 2.204 31.008 28.738 0.111 0.000 1.221 339 Q HN 0.536 nan 8.270 nan 0.000 0.434 340 L N 4.386 125.662 121.223 0.090 0.000 2.356 340 L HA 0.565 4.931 4.340 0.044 0.000 0.277 340 L C -0.997 175.932 176.870 0.098 0.000 0.996 340 L CA -0.803 54.080 54.840 0.072 0.000 0.822 340 L CB 1.387 43.496 42.059 0.084 0.000 1.256 340 L HN 0.520 nan 8.230 nan 0.000 0.413 341 I N 4.631 125.275 120.570 0.125 0.000 2.447 341 I HA 0.411 4.608 4.170 0.044 0.000 0.287 341 I C -2.312 173.918 176.117 0.189 0.000 1.023 341 I CA -1.871 59.544 61.300 0.192 0.000 1.083 341 I CB 1.743 39.893 38.000 0.249 0.000 1.245 341 I HN 0.293 nan 8.210 nan 0.000 0.434 342 P HA 0.060 nan 4.420 nan 0.000 0.269 342 P C 0.754 178.112 177.300 0.098 0.000 1.215 342 P CA -0.194 62.935 63.100 0.048 0.000 0.780 342 P CB 0.852 32.572 31.700 0.033 0.000 0.898 343 E N 2.194 122.360 120.200 -0.055 0.000 2.097 343 E HA -0.269 4.108 4.350 0.044 0.000 0.196 343 E C 1.368 178.046 176.600 0.131 0.000 1.000 343 E CA 1.238 57.611 56.400 -0.044 0.000 0.804 343 E CB 0.009 29.615 29.700 -0.158 0.000 0.740 343 E HN 0.502 nan 8.360 nan 0.000 0.454 344 E N 0.102 120.349 120.200 0.078 0.000 2.516 344 E HA -0.149 4.227 4.350 0.044 0.000 0.199 344 E C 0.274 176.920 176.600 0.077 0.000 1.069 344 E CA 0.685 57.137 56.400 0.086 0.000 0.876 344 E CB 0.110 29.844 29.700 0.056 0.000 0.843 344 E HN 0.233 nan 8.360 nan 0.000 0.530 345 D N 1.309 121.756 120.400 0.078 0.000 2.368 345 D HA 0.008 4.674 4.640 0.044 0.000 0.218 345 D C 1.298 177.576 176.300 -0.037 0.000 1.112 345 D CA 0.008 54.015 54.000 0.013 0.000 0.834 345 D CB 0.243 41.056 40.800 0.022 0.000 0.953 345 D HN 0.408 nan 8.370 nan 0.000 0.505 346 E N -0.208 119.942 120.200 -0.084 0.000 2.097 346 E HA -0.186 4.190 4.350 0.044 0.000 0.196 346 E C 0.480 176.679 176.600 -0.668 0.000 1.000 346 E CA 1.100 57.221 56.400 -0.465 0.000 0.804 346 E CB 0.033 29.285 29.700 -0.746 0.000 0.740 346 E HN 0.249 nan 8.360 nan 0.000 0.454 347 F N -0.138 119.793 119.950 -0.031 0.000 2.639 347 F HA 0.267 4.821 4.527 0.044 0.000 0.300 347 F C 1.223 176.927 175.800 -0.159 0.000 1.109 347 F CA -0.190 57.767 58.000 -0.072 0.000 1.335 347 F CB 0.523 39.499 39.000 -0.041 0.000 1.014 347 F HN -0.189 nan 8.300 nan 0.000 0.537 348 K N 0.193 120.465 120.400 -0.213 0.000 2.505 348 K HA 0.116 4.463 4.320 0.044 0.000 0.192 348 K C -0.277 175.911 176.600 -0.687 0.000 1.025 348 K CA 0.359 56.382 56.287 -0.440 0.000 1.086 348 K CB 0.078 32.261 32.500 -0.528 0.000 0.840 348 K HN 0.194 nan 8.250 nan 0.000 0.514 349 F N -0.241 119.559 119.950 -0.250 0.000 2.557 349 F HA 0.152 4.705 4.527 0.044 0.000 0.336 349 F C 1.245 176.860 175.800 -0.309 0.000 1.058 349 F CA -1.017 56.735 58.000 -0.414 0.000 0.988 349 F CB 1.000 39.383 39.000 -1.028 0.000 1.275 349 F HN -0.204 nan 8.300 nan 0.000 0.488 350 D N 0.442 120.857 120.400 0.025 0.000 2.348 350 D HA -0.024 4.643 4.640 0.044 0.000 0.216 350 D C -0.258 176.138 176.300 0.159 0.000 0.970 350 D CA 1.141 55.218 54.000 0.128 0.000 0.889 350 D CB -0.184 40.782 40.800 0.276 0.000 0.912 350 D HN 0.252 nan 8.370 nan 0.000 0.524 351 F N -1.336 118.696 119.950 0.137 0.000 2.631 351 F HA 0.472 5.026 4.527 0.044 0.000 0.328 351 F C -0.090 175.714 175.800 0.007 0.000 1.067 351 F CA -1.602 56.405 58.000 0.012 0.000 0.969 351 F CB 0.836 39.789 39.000 -0.077 0.000 1.332 351 F HN -0.409 nan 8.300 nan 0.000 0.490 352 D N 1.646 122.089 120.400 0.071 0.000 2.312 352 D HA 0.194 4.861 4.640 0.044 0.000 0.252 352 D C 1.043 177.319 176.300 -0.040 0.000 1.150 352 D CA -0.045 53.950 54.000 -0.009 0.000 0.870 352 D CB 1.449 42.278 40.800 0.047 0.000 1.153 352 D HN 0.734 nan 8.370 nan 0.000 0.457 353 L N 3.494 124.623 121.223 -0.156 0.000 2.265 353 L HA -0.134 4.233 4.340 0.044 0.000 0.215 353 L C 1.971 178.734 176.870 -0.177 0.000 1.117 353 L CA 0.673 55.400 54.840 -0.188 0.000 0.782 353 L CB -0.085 41.714 42.059 -0.433 0.000 0.914 353 L HN 0.458 nan 8.230 nan 0.000 0.441 354 L N -0.920 120.226 121.223 -0.129 0.000 2.592 354 L HA 0.072 4.439 4.340 0.044 0.000 0.227 354 L C 0.490 177.310 176.870 -0.084 0.000 1.127 354 L CA -0.121 54.704 54.840 -0.025 0.000 0.884 354 L CB -0.154 42.011 42.059 0.176 0.000 1.065 354 L HN 0.114 nan 8.230 nan 0.000 0.457 355 D N 1.998 122.119 120.400 -0.466 0.000 2.347 355 D HA 0.108 4.775 4.640 0.044 0.000 0.235 355 D C -1.698 174.357 176.300 -0.409 0.000 1.149 355 D CA -2.225 51.187 54.000 -0.980 0.000 0.850 355 D CB 1.596 41.553 40.800 -1.405 0.000 1.061 355 D HN -0.051 nan 8.370 nan 0.000 0.487 356 P HA 0.006 nan 4.420 nan 0.000 0.253 356 P C 0.688 177.876 177.300 -0.186 0.000 1.260 356 P CA 0.358 63.368 63.100 -0.150 0.000 0.800 356 P CB -0.077 31.611 31.700 -0.019 0.000 1.162 357 T N -4.232 110.201 114.554 -0.201 0.000 3.122 357 T HA 0.187 4.563 4.350 0.044 0.000 0.250 357 T C 0.678 175.282 174.700 -0.160 0.000 1.067 357 T CA -0.183 61.818 62.100 -0.166 0.000 0.966 357 T CB -0.120 68.697 68.868 -0.085 0.000 1.002 357 T HN -0.145 nan 8.240 nan 0.000 0.542 358 K N 2.008 122.227 120.400 -0.302 0.000 2.207 358 K HA 0.597 4.944 4.320 0.044 0.000 0.255 358 K C -0.401 176.023 176.600 -0.294 0.000 0.941 358 K CA -0.878 55.117 56.287 -0.486 0.000 0.825 358 K CB 2.278 34.353 32.500 -0.709 0.000 1.119 358 K HN 0.276 nan 8.250 nan 0.000 0.430 359 L N -0.499 120.676 121.223 -0.080 0.000 2.358 359 L HA 0.654 5.020 4.340 0.044 0.000 0.268 359 L C -0.068 176.618 176.870 -0.308 0.000 1.032 359 L CA -0.491 54.256 54.840 -0.154 0.000 0.805 359 L CB 0.352 42.408 42.059 -0.006 0.000 1.253 359 L HN 0.451 nan 8.230 nan 0.000 0.452 360 I N 1.413 121.889 120.570 -0.158 0.000 2.307 360 I HA 0.368 4.565 4.170 0.044 0.000 0.289 360 I C -2.128 173.979 176.117 -0.016 0.000 1.021 360 I CA -1.662 59.581 61.300 -0.095 0.000 1.224 360 I CB 1.148 39.124 38.000 -0.041 0.000 1.376 360 I HN 0.437 nan 8.210 nan 0.000 0.470 361 P HA 0.033 nan 4.420 nan 0.000 0.264 361 P C 0.391 177.737 177.300 0.076 0.000 1.193 361 P CA 0.093 63.215 63.100 0.036 0.000 0.763 361 P CB 0.641 32.358 31.700 0.028 0.000 0.810 362 E N 2.096 122.355 120.200 0.098 0.000 2.153 362 E HA -0.225 4.151 4.350 0.044 0.000 0.194 362 E C 1.497 178.142 176.600 0.075 0.000 0.988 362 E CA 0.896 57.347 56.400 0.084 0.000 0.811 362 E CB -0.059 29.697 29.700 0.093 0.000 0.746 362 E HN 0.525 nan 8.360 nan 0.000 0.466 363 E N 0.400 120.644 120.200 0.075 0.000 2.147 363 E HA -0.212 4.164 4.350 0.044 0.000 0.199 363 E C 2.086 178.744 176.600 0.097 0.000 1.005 363 E CA 1.017 57.461 56.400 0.074 0.000 0.810 363 E CB -0.067 29.671 29.700 0.063 0.000 0.736 363 E HN 0.385 nan 8.360 nan 0.000 0.460 364 L N -0.438 120.862 121.223 0.128 0.000 2.253 364 L HA 0.045 4.411 4.340 0.044 0.000 0.205 364 L C 0.673 177.658 176.870 0.192 0.000 1.078 364 L CA 0.304 55.261 54.840 0.195 0.000 0.805 364 L CB 0.514 42.757 42.059 0.307 0.000 0.963 364 L HN -0.197 nan 8.230 nan 0.000 0.459 365 V N 1.566 121.561 119.914 0.135 0.000 2.385 365 V HA 0.306 4.453 4.120 0.044 0.000 0.277 365 V C -2.338 173.798 176.094 0.069 0.000 1.012 365 V CA -1.479 60.890 62.300 0.115 0.000 0.832 365 V CB 1.333 33.213 31.823 0.096 0.000 1.028 365 V HN -0.049 nan 8.190 nan 0.000 0.436 366 P HA 0.130 nan 4.420 nan 0.000 0.269 366 P C -0.175 177.125 177.300 0.000 0.000 1.215 366 P CA 0.063 63.182 63.100 0.031 0.000 0.780 366 P CB 1.079 32.803 31.700 0.039 0.000 0.898 367 V N 3.205 123.087 119.914 -0.054 0.000 2.470 367 V HA 0.057 4.204 4.120 0.044 0.000 0.276 367 V C 0.902 176.989 176.094 -0.012 0.000 1.040 367 V CA 0.164 62.401 62.300 -0.105 0.000 1.008 367 V CB 0.077 31.755 31.823 -0.242 0.000 0.990 367 V HN 0.556 nan 8.190 nan 0.000 0.477 368 Q N 6.670 126.488 119.800 0.029 0.000 2.274 368 Q HA 0.380 4.747 4.340 0.044 0.000 0.256 368 Q C 0.295 176.295 176.000 0.000 0.000 0.927 368 Q CA -0.821 55.001 55.803 0.032 0.000 0.939 368 Q CB 0.877 29.649 28.738 0.056 0.000 1.201 368 Q HN 0.824 nan 8.270 nan 0.000 0.426 369 R N 1.999 122.522 120.500 0.038 0.000 2.543 369 R HA 0.176 4.542 4.340 0.044 0.000 0.277 369 R C -0.565 175.770 176.300 0.058 0.000 1.074 369 R CA -0.423 55.739 56.100 0.104 0.000 1.076 369 R CB 0.849 31.271 30.300 0.203 0.000 0.993 369 R HN 0.517 nan 8.270 nan 0.000 0.459 370 V N 1.041 120.921 119.914 -0.055 0.000 3.159 370 V HA 0.339 4.485 4.120 0.044 0.000 0.234 370 V C 0.722 176.581 176.094 -0.391 0.000 1.313 370 V CA 1.004 63.134 62.300 -0.283 0.000 1.271 370 V CB 0.896 32.255 31.823 -0.773 0.000 1.053 370 V HN 1.078 nan 8.190 nan 0.000 0.476 371 G N -0.156 108.300 108.800 -0.573 0.000 2.430 371 G HA2 0.489 4.476 3.960 0.044 0.000 0.300 371 G HA3 0.489 4.476 3.960 0.044 0.000 0.300 371 G C -1.880 172.672 174.900 -0.580 0.000 1.330 371 G CA -0.498 43.951 45.100 -1.085 0.000 0.813 371 G HN 0.085 nan 8.290 nan 0.000 0.487 372 K N -0.502 119.579 120.400 -0.530 0.000 2.378 372 K HA 0.743 5.090 4.320 0.044 0.000 0.252 372 K C -0.820 175.818 176.600 0.062 0.000 0.931 372 K CA -0.788 55.483 56.287 -0.025 0.000 0.794 372 K CB 2.060 34.580 32.500 0.033 0.000 1.181 372 K HN 0.630 nan 8.250 nan 0.000 0.425 373 M N 4.617 124.384 119.600 0.278 0.000 2.383 373 M HA 0.452 4.958 4.480 0.044 0.000 0.325 373 M C -1.771 174.509 176.300 -0.032 0.000 1.092 373 M CA -0.750 54.649 55.300 0.165 0.000 0.961 373 M CB 1.769 34.516 32.600 0.244 0.000 1.672 373 M HN 0.379 nan 8.290 nan 0.000 0.438 374 V N 5.451 125.188 119.914 -0.295 0.000 2.588 374 V HA 0.499 4.645 4.120 0.044 0.000 0.304 374 V C -1.070 174.906 176.094 -0.197 0.000 1.042 374 V CA -0.846 61.299 62.300 -0.257 0.000 0.877 374 V CB 1.850 33.408 31.823 -0.442 0.000 0.996 374 V HN 0.667 nan 8.190 nan 0.000 0.425 375 L N 5.600 126.787 121.223 -0.060 0.000 2.276 375 L HA 0.536 4.902 4.340 0.044 0.000 0.286 375 L C 0.569 177.369 176.870 -0.118 0.000 1.024 375 L CA 0.071 54.880 54.840 -0.053 0.000 0.826 375 L CB 1.120 43.195 42.059 0.027 0.000 1.211 375 L HN 0.899 nan 8.230 nan 0.000 0.422 376 N N 1.755 120.302 118.700 -0.256 0.000 2.143 376 N HA 0.139 4.905 4.740 0.044 0.000 0.229 376 N C 0.051 175.388 175.510 -0.288 0.000 1.294 376 N CA -0.247 52.410 53.050 -0.655 0.000 0.883 376 N CB 0.844 38.610 38.487 -1.201 0.000 1.148 376 N HN 0.343 nan 8.380 nan 0.000 0.511 377 R N 0.454 120.892 120.500 -0.104 0.000 2.548 377 R HA 0.346 4.712 4.340 0.044 0.000 0.280 377 R C -1.132 175.130 176.300 -0.065 0.000 1.061 377 R CA -0.558 55.502 56.100 -0.066 0.000 0.915 377 R CB 1.522 31.795 30.300 -0.045 0.000 1.210 377 R HN 0.085 nan 8.270 nan 0.000 0.442 378 N N 2.867 121.408 118.700 -0.265 0.000 2.467 378 N HA 0.283 5.049 4.740 0.044 0.000 0.262 378 N C -2.235 173.219 175.510 -0.095 0.000 1.234 378 N CA -1.253 51.494 53.050 -0.505 0.000 0.952 378 N CB 0.484 38.051 38.487 -1.533 0.000 1.158 378 N HN 0.259 nan 8.380 nan 0.000 0.463 379 P HA 0.110 nan 4.420 nan 0.000 0.274 379 P C 0.158 177.648 177.300 0.317 0.000 1.260 379 P CA -0.093 63.210 63.100 0.338 0.000 0.793 379 P CB 0.958 32.898 31.700 0.399 0.000 1.048 380 D N -1.144 119.416 120.400 0.267 0.000 2.201 380 D HA -0.019 4.648 4.640 0.044 0.000 0.209 380 D C 0.415 176.892 176.300 0.295 0.000 0.961 380 D CA 1.325 55.477 54.000 0.253 0.000 0.861 380 D CB 0.215 41.104 40.800 0.148 0.000 0.997 380 D HN 0.382 nan 8.370 nan 0.000 0.486 381 N N -0.191 118.676 118.700 0.279 0.000 2.461 381 N HA 0.015 4.781 4.740 0.044 0.000 0.284 381 N C 0.047 175.768 175.510 0.351 0.000 1.049 381 N CA -0.330 52.898 53.050 0.297 0.000 0.889 381 N CB 1.577 40.207 38.487 0.238 0.000 1.365 381 N HN -0.166 nan 8.380 nan 0.000 0.499 382 F N 4.230 124.334 119.950 0.257 0.000 2.065 382 F HA -0.205 4.347 4.527 0.042 0.000 0.298 382 F C 1.687 177.627 175.800 0.233 0.000 1.112 382 F CA 1.615 59.767 58.000 0.254 0.000 1.212 382 F CB -0.105 39.015 39.000 0.200 0.000 0.975 382 F HN 0.609 nan 8.300 nan 0.000 0.476 383 F N 0.794 120.999 119.950 0.425 0.000 2.075 383 F HA -0.159 4.403 4.527 0.058 0.000 0.297 383 F C 2.334 178.202 175.800 0.114 0.000 1.113 383 F CA 1.793 59.955 58.000 0.270 0.000 1.218 383 F CB -0.940 38.190 39.000 0.216 0.000 0.984 383 F HN 0.000 nan 8.300 nan 0.000 0.472 384 A N -0.346 122.634 122.820 0.267 0.000 1.933 384 A HA -0.180 4.167 4.320 0.044 0.000 0.218 384 A C 2.061 179.596 177.584 -0.082 0.000 1.175 384 A CA 2.083 54.179 52.037 0.098 0.000 0.628 384 A CB -0.678 18.425 19.000 0.171 0.000 0.814 384 A HN 0.603 nan 8.150 nan 0.000 0.444 385 E N -1.439 118.726 120.200 -0.058 0.000 2.162 385 E HA -0.056 4.320 4.350 0.044 0.000 0.193 385 E C 1.973 178.516 176.600 -0.095 0.000 0.953 385 E CA 0.463 56.775 56.400 -0.146 0.000 0.849 385 E CB -0.109 29.551 29.700 -0.067 0.000 0.810 385 E HN 0.570 nan 8.360 nan 0.000 0.470 386 N N 1.263 119.881 118.700 -0.138 0.000 2.182 386 N HA -0.154 4.613 4.740 0.044 0.000 0.186 386 N C 1.817 177.172 175.510 -0.258 0.000 1.036 386 N CA 1.333 54.242 53.050 -0.236 0.000 0.850 386 N CB 0.120 38.056 38.487 -0.918 0.000 1.010 386 N HN -0.061 nan 8.380 nan 0.000 0.432 387 E N 0.814 120.796 120.200 -0.364 0.000 2.106 387 E HA -0.053 4.323 4.350 0.044 0.000 0.192 387 E C 1.681 178.106 176.600 -0.292 0.000 0.984 387 E CA 1.337 57.591 56.400 -0.243 0.000 0.806 387 E CB -0.147 29.426 29.700 -0.211 0.000 0.750 387 E HN 0.474 nan 8.360 nan 0.000 0.458 388 Q N -0.239 119.320 119.800 -0.403 0.000 2.451 388 Q HA 0.225 4.591 4.340 0.044 0.000 0.206 388 Q C 0.041 175.936 176.000 -0.174 0.000 0.947 388 Q CA 0.259 55.877 55.803 -0.308 0.000 0.937 388 Q CB 0.353 28.886 28.738 -0.342 0.000 1.025 388 Q HN 0.218 nan 8.270 nan 0.000 0.511 389 A N 1.119 123.863 122.820 -0.128 0.000 2.511 389 A HA 0.437 4.784 4.320 0.044 0.000 0.242 389 A C -0.147 177.345 177.584 -0.154 0.000 1.069 389 A CA 0.181 52.124 52.037 -0.157 0.000 0.763 389 A CB 0.233 19.216 19.000 -0.029 0.000 1.001 389 A HN 0.268 nan 8.150 nan 0.000 0.498 390 A N 2.612 125.285 122.820 -0.245 0.000 2.310 390 A HA 0.693 5.039 4.320 0.044 0.000 0.304 390 A C -0.756 176.732 177.584 -0.159 0.000 1.231 390 A CA -0.408 51.560 52.037 -0.114 0.000 0.799 390 A CB 0.186 19.142 19.000 -0.075 0.000 1.162 390 A HN 0.644 nan 8.150 nan 0.000 0.486 391 F N 1.095 121.065 119.950 0.033 0.000 2.450 391 F HA 0.624 5.177 4.527 0.043 0.000 0.332 391 F C 0.347 176.132 175.800 -0.025 0.000 1.093 391 F CA -0.074 57.922 58.000 -0.008 0.000 1.003 391 F CB 1.932 40.868 39.000 -0.107 0.000 1.151 391 F HN 0.757 nan 8.300 nan 0.000 0.474 392 H N 3.519 122.465 119.070 -0.206 0.000 3.042 392 H HA 0.292 4.874 4.556 0.044 0.000 0.345 392 H C -2.478 172.459 175.328 -0.651 0.000 1.052 392 H CA -1.762 53.908 56.048 -0.631 0.000 1.311 392 H CB 2.788 32.145 29.762 -0.675 0.000 1.810 392 H HN 0.190 nan 8.280 nan 0.000 0.505 393 P HA 0.025 nan 4.420 nan 0.000 0.233 393 P C 1.129 178.285 177.300 -0.239 0.000 1.167 393 P CA 1.152 63.931 63.100 -0.535 0.000 0.770 393 P CB 0.176 31.609 31.700 -0.445 0.000 0.837 394 G N -0.889 107.568 108.800 -0.571 0.000 2.679 394 G HA2 -0.155 3.832 3.960 0.044 0.000 0.212 394 G HA3 -0.155 3.832 3.960 0.044 0.000 0.212 394 G C 0.418 175.518 174.900 0.333 0.000 1.137 394 G CA -0.002 45.143 45.100 0.075 0.000 0.787 394 G HN 0.432 nan 8.290 nan 0.000 0.534 395 H N 0.741 119.936 119.070 0.208 0.000 3.224 395 H HA 0.331 4.913 4.556 0.043 0.000 0.265 395 H C 0.609 176.043 175.328 0.176 0.000 1.461 395 H CA -0.770 55.367 56.048 0.149 0.000 1.509 395 H CB -0.081 29.733 29.762 0.087 0.000 1.686 395 H HN 0.378 nan 8.280 nan 0.000 0.514 396 I N -0.294 120.399 120.570 0.206 0.000 3.217 396 I HA 0.665 4.862 4.170 0.044 0.000 0.308 396 I C -0.079 176.022 176.117 -0.026 0.000 1.091 396 I CA -1.412 59.927 61.300 0.065 0.000 1.013 396 I CB 1.768 39.702 38.000 -0.109 0.000 1.250 396 I HN 0.119 nan 8.210 nan 0.000 0.496 397 V N -2.110 117.761 119.914 -0.071 0.000 3.074 397 V HA 0.693 4.839 4.120 0.044 0.000 0.314 397 V C -2.838 173.345 176.094 0.148 0.000 1.117 397 V CA -2.540 59.779 62.300 0.032 0.000 1.014 397 V CB 1.037 32.860 31.823 -0.001 0.000 1.057 397 V HN 0.617 nan 8.190 nan 0.000 0.438 398 P HA 0.406 nan 4.420 nan 0.000 0.265 398 P C 0.867 178.161 177.300 -0.011 0.000 1.193 398 P CA 1.901 65.071 63.100 0.117 0.000 0.765 398 P CB 0.856 32.598 31.700 0.070 0.000 0.823 399 G N 1.443 110.191 108.800 -0.087 0.000 2.201 399 G HA2 -0.160 3.826 3.960 0.044 0.000 0.212 399 G HA3 -0.160 3.826 3.960 0.044 0.000 0.212 399 G C -0.246 174.561 174.900 -0.155 0.000 0.994 399 G CA -0.413 44.614 45.100 -0.121 0.000 0.644 399 G HN 0.434 nan 8.290 nan 0.000 0.508 400 L N 0.051 121.190 121.223 -0.139 0.000 2.319 400 L HA 0.932 5.299 4.340 0.044 0.000 0.267 400 L C -0.447 176.348 176.870 -0.125 0.000 1.011 400 L CA -1.071 53.663 54.840 -0.176 0.000 0.818 400 L CB 2.051 43.932 42.059 -0.295 0.000 1.316 400 L HN 0.090 nan 8.230 nan 0.000 0.432 401 D N -0.652 119.657 120.400 -0.152 0.000 2.639 401 D HA 0.435 5.101 4.640 0.044 0.000 0.271 401 D C -1.169 175.041 176.300 -0.150 0.000 1.254 401 D CA -0.386 53.476 54.000 -0.229 0.000 0.810 401 D CB 1.811 42.559 40.800 -0.086 0.000 1.351 401 D HN 0.118 nan 8.370 nan 0.000 0.427 402 F N -0.126 119.959 119.950 0.224 0.000 2.291 402 F HA 0.513 5.066 4.527 0.044 0.000 0.305 402 F C 1.553 177.389 175.800 0.058 0.000 1.171 402 F CA -0.193 57.877 58.000 0.117 0.000 1.090 402 F CB 0.935 39.973 39.000 0.063 0.000 1.436 402 F HN 0.210 nan 8.300 nan 0.000 0.509 403 T N -3.293 111.376 114.554 0.192 0.000 2.831 403 T HA 0.295 4.672 4.350 0.044 0.000 0.287 403 T C -0.016 174.734 174.700 0.084 0.000 1.070 403 T CA -1.010 61.182 62.100 0.154 0.000 1.010 403 T CB 1.137 70.075 68.868 0.117 0.000 1.264 403 T HN 0.343 nan 8.240 nan 0.000 0.532 404 N N 1.184 119.939 118.700 0.092 0.000 2.515 404 N HA 0.036 4.802 4.740 0.044 0.000 0.191 404 N C 0.077 175.609 175.510 0.037 0.000 1.182 404 N CA 0.143 53.227 53.050 0.057 0.000 0.879 404 N CB -0.472 38.060 38.487 0.076 0.000 0.984 404 N HN 0.673 nan 8.380 nan 0.000 0.453 405 D N 2.144 122.554 120.400 0.016 0.000 2.570 405 D HA -0.075 4.592 4.640 0.044 0.000 0.243 405 D C -1.416 174.893 176.300 0.014 0.000 1.171 405 D CA -0.932 53.099 54.000 0.051 0.000 0.879 405 D CB 1.244 42.018 40.800 -0.044 0.000 1.143 405 D HN 0.157 nan 8.370 nan 0.000 0.511 406 P HA -0.074 nan 4.420 nan 0.000 0.236 406 P C 1.492 178.813 177.300 0.034 0.000 1.177 406 P CA 0.059 63.182 63.100 0.038 0.000 0.773 406 P CB 0.443 32.158 31.700 0.025 0.000 0.878 407 L N -0.354 120.911 121.223 0.069 0.000 2.102 407 L HA 0.010 4.376 4.340 0.044 0.000 0.202 407 L C 2.345 179.125 176.870 -0.149 0.000 1.076 407 L CA 1.177 56.040 54.840 0.038 0.000 0.761 407 L CB -1.533 40.632 42.059 0.178 0.000 0.921 407 L HN -0.179 nan 8.230 nan 0.000 0.444 408 L N -0.336 120.638 121.223 -0.416 0.000 2.013 408 L HA -0.277 4.089 4.340 0.044 0.000 0.212 408 L C 2.520 179.153 176.870 -0.396 0.000 1.073 408 L CA 1.889 56.298 54.840 -0.718 0.000 0.753 408 L CB -0.992 40.491 42.059 -0.960 0.000 0.890 408 L HN 0.404 nan 8.230 nan 0.000 0.432 409 Q N -0.405 119.232 119.800 -0.270 0.000 2.096 409 Q HA -0.201 4.165 4.340 0.044 0.000 0.208 409 Q C 2.081 177.998 176.000 -0.137 0.000 0.993 409 Q CA 1.977 57.660 55.803 -0.199 0.000 0.862 409 Q CB -0.854 27.817 28.738 -0.112 0.000 0.915 409 Q HN 0.715 nan 8.270 nan 0.000 0.416 410 G N 0.346 109.093 108.800 -0.088 0.000 2.403 410 G HA2 -0.211 3.775 3.960 0.044 0.000 0.216 410 G HA3 -0.211 3.775 3.960 0.044 0.000 0.216 410 G C 1.499 176.404 174.900 0.008 0.000 1.154 410 G CA 0.283 45.371 45.100 -0.020 0.000 0.784 410 G HN 0.254 nan 8.290 nan 0.000 0.538 411 R N -0.087 120.368 120.500 -0.075 0.000 2.133 411 R HA -0.058 4.308 4.340 0.044 0.000 0.247 411 R C 2.523 178.904 176.300 0.135 0.000 1.151 411 R CA 1.154 57.264 56.100 0.017 0.000 0.971 411 R CB -0.506 29.765 30.300 -0.047 0.000 0.866 411 R HN 0.350 nan 8.270 nan 0.000 0.447 412 L N -0.598 120.609 121.223 -0.026 0.000 2.079 412 L HA -0.214 4.152 4.340 0.044 0.000 0.210 412 L C 2.308 179.325 176.870 0.246 0.000 1.081 412 L CA 1.198 56.044 54.840 0.010 0.000 0.752 412 L CB -0.489 41.433 42.059 -0.228 0.000 0.896 412 L HN 0.168 nan 8.230 nan 0.000 0.433 413 F N 0.284 120.267 119.950 0.054 0.000 2.113 413 F HA -0.218 4.336 4.527 0.045 0.000 0.297 413 F C 2.854 178.693 175.800 0.065 0.000 1.103 413 F CA 1.656 59.683 58.000 0.045 0.000 1.248 413 F CB -0.286 38.717 39.000 0.006 0.000 0.999 413 F HN -0.043 nan 8.300 nan 0.000 0.475 414 S N -0.675 115.090 115.700 0.109 0.000 2.356 414 S HA -0.253 4.243 4.470 0.044 0.000 0.223 414 S C 2.020 176.508 174.600 -0.187 0.000 1.032 414 S CA 1.715 59.849 58.200 -0.109 0.000 1.005 414 S CB -0.802 62.321 63.200 -0.129 0.000 0.867 414 S HN 0.557 nan 8.310 nan 0.000 0.449 415 Y N 1.293 121.614 120.300 0.034 0.000 2.457 415 Y HA 0.029 4.605 4.550 0.044 0.000 0.292 415 Y C 2.822 178.415 175.900 -0.512 0.000 1.125 415 Y CA 1.057 59.194 58.100 0.062 0.000 1.254 415 Y CB -0.459 38.793 38.460 1.321 0.000 1.012 415 Y HN 0.275 nan 8.280 nan 0.000 0.555 416 T N -0.659 113.520 114.554 -0.625 0.000 2.770 416 T HA -0.173 4.203 4.350 0.044 0.000 0.258 416 T C 1.434 175.913 174.700 -0.368 0.000 1.039 416 T CA 1.530 63.349 62.100 -0.467 0.000 1.143 416 T CB -0.424 68.234 68.868 -0.351 0.000 0.866 416 T HN 0.300 nan 8.240 nan 0.000 0.428 417 D N 0.800 120.923 120.400 -0.462 0.000 2.116 417 D HA -0.145 4.521 4.640 0.044 0.000 0.193 417 D C 2.258 178.391 176.300 -0.278 0.000 0.998 417 D CA 1.726 55.470 54.000 -0.426 0.000 0.836 417 D CB -0.509 39.847 40.800 -0.740 0.000 0.951 417 D HN 0.263 nan 8.370 nan 0.000 0.449 418 T N -1.098 113.288 114.554 -0.279 0.000 2.833 418 T HA -0.136 4.240 4.350 0.044 0.000 0.269 418 T C 1.637 176.207 174.700 -0.217 0.000 1.054 418 T CA 1.169 63.148 62.100 -0.202 0.000 1.135 418 T CB -0.205 68.552 68.868 -0.186 0.000 0.869 418 T HN 0.133 nan 8.240 nan 0.000 0.466 419 Q N 0.822 120.414 119.800 -0.347 0.000 2.226 419 Q HA -0.019 4.348 4.340 0.044 0.000 0.204 419 Q C 2.252 178.117 176.000 -0.225 0.000 0.975 419 Q CA 0.758 56.293 55.803 -0.447 0.000 0.866 419 Q CB -0.519 27.520 28.738 -1.165 0.000 0.915 419 Q HN 0.514 nan 8.270 nan 0.000 0.440 420 I N 0.898 121.388 120.570 -0.133 0.000 2.264 420 I HA -0.220 3.976 4.170 0.044 0.000 0.248 420 I C 2.272 178.381 176.117 -0.013 0.000 1.111 420 I CA 1.796 63.085 61.300 -0.019 0.000 1.382 420 I CB -1.466 36.531 38.000 -0.004 0.000 1.060 420 I HN 0.206 nan 8.210 nan 0.000 0.418 421 S N 0.290 115.969 115.700 -0.035 0.000 2.427 421 S HA -0.055 4.442 4.470 0.044 0.000 0.224 421 S C 2.160 176.748 174.600 -0.019 0.000 1.047 421 S CA 0.128 58.319 58.200 -0.014 0.000 0.953 421 S CB -0.339 62.857 63.200 -0.007 0.000 0.824 421 S HN 0.301 nan 8.310 nan 0.000 0.502 422 R N 0.930 121.400 120.500 -0.049 0.000 2.081 422 R HA 0.144 4.510 4.340 0.044 0.000 0.235 422 R C 1.455 177.734 176.300 -0.035 0.000 1.131 422 R CA 1.518 57.592 56.100 -0.043 0.000 0.960 422 R CB -0.239 30.015 30.300 -0.076 0.000 0.856 422 R HN 0.449 nan 8.270 nan 0.000 0.436 423 L N -1.057 120.135 121.223 -0.053 0.000 2.808 423 L HA 0.327 4.694 4.340 0.044 0.000 0.246 423 L C 0.762 177.647 176.870 0.027 0.000 1.153 423 L CA 0.305 55.133 54.840 -0.020 0.000 0.956 423 L CB 1.210 43.253 42.059 -0.027 0.000 1.270 423 L HN 0.595 nan 8.230 nan 0.000 0.528 424 G N 0.071 108.886 108.800 0.025 0.000 2.157 424 G HA2 -0.095 3.891 3.960 0.044 0.000 0.248 424 G HA3 -0.095 3.891 3.960 0.044 0.000 0.248 424 G C 0.438 175.377 174.900 0.064 0.000 0.979 424 G CA 0.002 45.124 45.100 0.037 0.000 0.650 424 G HN 0.779 nan 8.290 nan 0.000 0.529 425 G N -1.561 107.297 108.800 0.098 0.000 2.362 425 G HA2 0.578 4.565 3.960 0.044 0.000 0.288 425 G HA3 0.578 4.565 3.960 0.044 0.000 0.288 425 G C -2.148 172.881 174.900 0.216 0.000 1.305 425 G CA 0.363 45.536 45.100 0.122 0.000 0.910 425 G HN 0.499 nan 8.290 nan 0.000 0.518 426 P HA 0.133 nan 4.420 nan 0.000 0.249 426 P C 0.338 177.654 177.300 0.027 0.000 1.229 426 P CA 0.332 63.532 63.100 0.166 0.000 0.788 426 P CB 0.176 31.934 31.700 0.097 0.000 1.072 427 N N 0.364 119.083 118.700 0.031 0.000 2.327 427 N HA 0.061 4.828 4.740 0.044 0.000 0.231 427 N C 1.076 176.450 175.510 -0.227 0.000 1.130 427 N CA -0.153 52.821 53.050 -0.127 0.000 0.845 427 N CB -0.601 37.836 38.487 -0.083 0.000 1.073 427 N HN 0.278 nan 8.380 nan 0.000 0.496 428 F N 0.895 120.828 119.950 -0.029 0.000 2.269 428 F HA -0.108 4.445 4.527 0.043 0.000 0.301 428 F C 2.284 178.025 175.800 -0.099 0.000 1.082 428 F CA 0.827 58.787 58.000 -0.067 0.000 1.360 428 F CB -0.820 38.157 39.000 -0.039 0.000 1.041 428 F HN 0.174 nan 8.300 nan 0.000 0.512 429 H N 0.606 119.295 119.070 -0.635 0.000 2.545 429 H HA 0.020 4.603 4.556 0.045 0.000 0.282 429 H C 0.849 176.014 175.328 -0.272 0.000 1.020 429 H CA 1.429 57.209 56.048 -0.446 0.000 1.243 429 H CB -0.783 28.583 29.762 -0.661 0.000 1.377 429 H HN 0.542 nan 8.280 nan 0.000 0.581 430 E N 0.930 120.696 120.200 -0.723 0.000 2.474 430 E HA 0.181 4.558 4.350 0.044 0.000 0.194 430 E C 0.365 176.856 176.600 -0.183 0.000 1.041 430 E CA -0.283 55.865 56.400 -0.420 0.000 0.874 430 E CB 0.509 29.981 29.700 -0.379 0.000 0.914 430 E HN 0.432 nan 8.360 nan 0.000 0.498 431 I N 2.674 123.158 120.570 -0.144 0.000 2.618 431 I HA -0.049 4.147 4.170 0.044 0.000 0.284 431 I C -1.561 174.502 176.117 -0.090 0.000 1.146 431 I CA -1.402 59.847 61.300 -0.085 0.000 1.425 431 I CB 0.598 38.560 38.000 -0.064 0.000 1.383 431 I HN -0.203 nan 8.210 nan 0.000 0.562 432 P HA -0.226 nan 4.420 nan 0.000 0.215 432 P C 1.731 178.961 177.300 -0.117 0.000 1.157 432 P CA 1.223 64.271 63.100 -0.087 0.000 0.874 432 P CB 0.183 31.839 31.700 -0.074 0.000 0.790 433 I N -0.627 119.850 120.570 -0.154 0.000 2.361 433 I HA -0.190 4.007 4.170 0.044 0.000 0.251 433 I C 1.365 177.413 176.117 -0.116 0.000 1.133 433 I CA 1.700 62.861 61.300 -0.231 0.000 1.413 433 I CB -0.664 37.094 38.000 -0.404 0.000 1.073 433 I HN -0.114 nan 8.210 nan 0.000 0.424 434 N N 0.737 119.382 118.700 -0.091 0.000 2.463 434 N HA 0.013 4.779 4.740 0.044 0.000 0.181 434 N C 0.317 175.833 175.510 0.011 0.000 1.078 434 N CA 0.241 53.265 53.050 -0.044 0.000 0.902 434 N CB -0.170 38.303 38.487 -0.023 0.000 0.970 434 N HN 0.378 nan 8.380 nan 0.000 0.451 435 R N 1.548 122.050 120.500 0.003 0.000 2.570 435 R HA 0.121 4.487 4.340 0.044 0.000 0.277 435 R C -2.211 174.151 176.300 0.103 0.000 1.039 435 R CA -1.134 54.971 56.100 0.008 0.000 1.065 435 R CB -0.121 30.169 30.300 -0.016 0.000 0.964 435 R HN 0.019 nan 8.270 nan 0.000 0.428 436 P HA -0.033 nan 4.420 nan 0.000 0.269 436 P C 0.581 177.950 177.300 0.115 0.000 1.215 436 P CA 0.182 63.359 63.100 0.129 0.000 0.780 436 P CB 0.676 32.412 31.700 0.059 0.000 0.898 437 T N -2.428 112.204 114.554 0.130 0.000 3.065 437 T HA 0.058 4.435 4.350 0.044 0.000 0.252 437 T C 0.849 175.591 174.700 0.070 0.000 1.099 437 T CA 0.024 62.156 62.100 0.054 0.000 1.063 437 T CB -0.989 67.895 68.868 0.027 0.000 0.948 437 T HN 0.559 nan 8.240 nan 0.000 0.506 438 C N 0.791 120.148 119.300 0.095 0.000 2.325 438 C HA 0.799 5.285 4.460 0.044 0.000 0.370 438 C C -2.534 172.513 174.990 0.095 0.000 1.217 438 C CA -2.669 56.403 59.018 0.090 0.000 2.254 438 C CB 0.234 28.032 27.740 0.097 0.000 2.282 438 C HN 0.137 nan 8.230 nan 0.000 0.564 439 P HA 0.286 nan 4.420 nan 0.000 0.269 439 P C -1.233 176.131 177.300 0.107 0.000 1.209 439 P CA 0.459 63.619 63.100 0.100 0.000 0.776 439 P CB -0.040 31.766 31.700 0.177 0.000 0.876 440 Y N 0.591 120.765 120.300 -0.211 0.000 2.396 440 Y HA 0.652 5.228 4.550 0.044 0.000 0.332 440 Y C -1.464 174.113 175.900 -0.539 0.000 1.034 440 Y CA -0.893 57.072 58.100 -0.225 0.000 1.057 440 Y CB 1.318 39.675 38.460 -0.171 0.000 1.220 440 Y HN 0.444 nan 8.280 nan 0.000 0.440 441 H N 3.803 122.771 119.070 -0.170 0.000 2.947 441 H HA 0.546 5.129 4.556 0.045 0.000 0.354 441 H C -1.178 174.030 175.328 -0.198 0.000 1.085 441 H CA -0.733 55.138 56.048 -0.295 0.000 1.253 441 H CB 1.745 31.361 29.762 -0.242 0.000 1.757 441 H HN 0.904 nan 8.280 nan 0.000 0.523 442 N N 0.395 118.988 118.700 -0.178 0.000 3.441 442 N HA 0.162 4.928 4.740 0.044 0.000 0.313 442 N C -1.285 173.990 175.510 -0.392 0.000 1.526 442 N CA -0.892 52.001 53.050 -0.262 0.000 0.871 442 N CB 0.622 39.108 38.487 -0.002 0.000 1.779 442 N HN 0.309 nan 8.380 nan 0.000 0.529 443 F N -0.269 119.722 119.950 0.067 0.000 2.639 443 F HA 0.369 4.922 4.527 0.044 0.000 0.302 443 F C 0.417 176.259 175.800 0.070 0.000 1.097 443 F CA -0.370 57.666 58.000 0.060 0.000 1.294 443 F CB 0.260 39.291 39.000 0.052 0.000 1.027 443 F HN 0.142 nan 8.300 nan 0.000 0.550 444 Q N 1.524 121.431 119.800 0.179 0.000 2.340 444 Q HA 0.446 4.813 4.340 0.044 0.000 0.249 444 Q C 0.038 176.113 176.000 0.125 0.000 0.957 444 Q CA -0.091 55.796 55.803 0.139 0.000 0.882 444 Q CB 1.071 29.865 28.738 0.092 0.000 1.235 444 Q HN 0.109 nan 8.270 nan 0.000 0.439 445 R N 1.497 122.064 120.500 0.112 0.000 2.799 445 R HA 0.356 4.723 4.340 0.044 0.000 0.270 445 R C -0.797 175.550 176.300 0.078 0.000 1.010 445 R CA -0.651 55.507 56.100 0.095 0.000 0.916 445 R CB 1.322 31.681 30.300 0.099 0.000 1.228 445 R HN 0.732 nan 8.270 nan 0.000 0.469 446 D N -0.255 120.184 120.400 0.064 0.000 3.496 446 D HA -0.142 4.525 4.640 0.044 0.000 0.238 446 D C 0.280 176.612 176.300 0.054 0.000 1.707 446 D CA 1.934 55.964 54.000 0.051 0.000 1.150 446 D CB -1.020 39.810 40.800 0.049 0.000 0.759 446 D HN 0.920 nan 8.370 nan 0.000 0.936 447 G N -1.349 107.481 108.800 0.050 0.000 2.692 447 G HA2 0.226 4.212 3.960 0.044 0.000 0.686 447 G HA3 0.226 4.212 3.960 0.044 0.000 0.686 447 G C -0.276 174.657 174.900 0.055 0.000 1.243 447 G CA 0.010 45.144 45.100 0.056 0.000 0.782 447 G HN 0.784 nan 8.290 nan 0.000 0.625 448 M N 1.205 120.844 119.600 0.065 0.000 2.251 448 M HA 0.433 4.939 4.480 0.044 0.000 0.343 448 M C 1.116 177.495 176.300 0.130 0.000 1.245 448 M CA 1.216 56.565 55.300 0.082 0.000 1.061 448 M CB -0.488 32.161 32.600 0.083 0.000 1.723 448 M HN 1.503 nan 8.290 nan 0.000 0.449 449 H N 0.939 120.014 119.070 0.008 0.000 2.604 449 H HA -0.189 4.392 4.556 0.042 0.000 0.321 449 H C -0.628 174.692 175.328 -0.013 0.000 1.132 449 H CA 0.909 56.958 56.048 0.001 0.000 1.129 449 H CB -0.731 29.033 29.762 0.004 0.000 1.526 449 H HN 0.620 nan 8.280 nan 0.000 0.415 450 R N 1.304 121.814 120.500 0.017 0.000 2.421 450 R HA 0.050 4.417 4.340 0.044 0.000 0.305 450 R C 1.023 177.306 176.300 -0.028 0.000 1.039 450 R CA 0.147 56.249 56.100 0.004 0.000 1.003 450 R CB 0.277 30.582 30.300 0.009 0.000 0.959 450 R HN 0.385 nan 8.270 nan 0.000 0.427 451 M N 2.719 122.313 119.600 -0.010 0.000 2.412 451 M HA 0.201 4.707 4.480 0.044 0.000 0.263 451 M C 1.003 177.294 176.300 -0.016 0.000 1.122 451 M CA 0.941 56.232 55.300 -0.015 0.000 1.179 451 M CB -0.751 31.849 32.600 0.000 0.000 1.335 451 M HN 0.707 nan 8.290 nan 0.000 0.465 452 G N 2.107 110.905 108.800 -0.003 0.000 2.343 452 G HA2 0.378 4.364 3.960 0.044 0.000 0.254 452 G HA3 0.378 4.364 3.960 0.044 0.000 0.254 452 G C -0.358 174.537 174.900 -0.008 0.000 1.277 452 G CA -0.353 44.744 45.100 -0.006 0.000 0.909 452 G HN 0.312 nan 8.290 nan 0.000 0.502 453 I N 2.908 123.467 120.570 -0.019 0.000 2.307 453 I HA 0.100 4.297 4.170 0.044 0.000 0.287 453 I C -0.254 175.854 176.117 -0.015 0.000 1.054 453 I CA -0.550 60.742 61.300 -0.013 0.000 1.218 453 I CB 0.974 38.965 38.000 -0.015 0.000 1.398 453 I HN 0.361 nan 8.210 nan 0.000 0.475 454 D N 4.838 125.236 120.400 -0.004 0.000 2.351 454 D HA 0.068 4.735 4.640 0.044 0.000 0.251 454 D C 1.159 177.462 176.300 0.005 0.000 1.137 454 D CA 0.267 54.264 54.000 -0.004 0.000 0.879 454 D CB 1.808 42.615 40.800 0.011 0.000 1.181 454 D HN 0.572 nan 8.370 nan 0.000 0.448 455 T N -0.910 113.642 114.554 -0.003 0.000 3.040 455 T HA -0.051 4.326 4.350 0.044 0.000 0.250 455 T C 0.826 175.535 174.700 0.015 0.000 1.058 455 T CA -0.551 61.551 62.100 0.004 0.000 0.988 455 T CB 0.174 69.037 68.868 -0.009 0.000 0.993 455 T HN 0.119 nan 8.240 nan 0.000 0.519 456 N N 3.471 122.182 118.700 0.018 0.000 2.411 456 N HA 0.081 4.847 4.740 0.044 0.000 0.265 456 N C -1.675 173.877 175.510 0.070 0.000 1.266 456 N CA -1.474 51.600 53.050 0.041 0.000 0.889 456 N CB 1.393 39.906 38.487 0.043 0.000 1.069 456 N HN 0.071 nan 8.380 nan 0.000 0.476 457 P HA -0.023 nan 4.420 nan 0.000 0.221 457 P C -0.546 176.820 177.300 0.111 0.000 1.145 457 P CA 0.900 64.049 63.100 0.081 0.000 0.795 457 P CB 0.207 31.949 31.700 0.071 0.000 0.775 458 A N 0.739 123.617 122.820 0.096 0.000 2.312 458 A HA 0.413 4.759 4.320 0.044 0.000 0.326 458 A C 0.427 178.126 177.584 0.191 0.000 1.172 458 A CA -0.672 51.382 52.037 0.027 0.000 0.821 458 A CB 0.016 18.845 19.000 -0.286 0.000 1.166 458 A HN 0.266 nan 8.150 nan 0.000 0.493 459 N N 0.334 119.194 118.700 0.268 0.000 2.416 459 N HA 0.416 5.182 4.740 0.044 0.000 0.267 459 N C -0.921 174.764 175.510 0.292 0.000 1.294 459 N CA -0.392 52.889 53.050 0.385 0.000 0.891 459 N CB 0.292 38.954 38.487 0.292 0.000 1.238 459 N HN 0.693 nan 8.380 nan 0.000 0.508 460 Y N -1.585 118.553 120.300 -0.271 0.000 2.641 460 Y HA 0.611 5.187 4.550 0.044 0.000 0.333 460 Y C -1.744 173.533 175.900 -1.038 0.000 1.174 460 Y CA -1.372 56.398 58.100 -0.551 0.000 1.057 460 Y CB 0.829 39.151 38.460 -0.230 0.000 1.322 460 Y HN 0.104 nan 8.280 nan 0.000 0.457 461 E N 0.909 120.624 120.200 -0.808 0.000 2.356 461 E HA 0.683 5.059 4.350 0.044 0.000 0.275 461 E C -3.201 173.287 176.600 -0.187 0.000 0.904 461 E CA -1.975 54.055 56.400 -0.616 0.000 0.757 461 E CB 1.689 30.958 29.700 -0.717 0.000 1.232 461 E HN 0.569 nan 8.360 nan 0.000 0.442 462 P HA 0.297 nan 4.420 nan 0.000 0.275 462 P C -1.259 175.978 177.300 -0.105 0.000 1.228 462 P CA -0.432 62.595 63.100 -0.123 0.000 0.786 462 P CB 0.481 32.147 31.700 -0.057 0.000 0.927 463 N N -1.512 117.057 118.700 -0.217 0.000 2.284 463 N HA 0.340 5.107 4.740 0.044 0.000 0.289 463 N C 0.278 175.733 175.510 -0.091 0.000 1.179 463 N CA -0.763 52.169 53.050 -0.197 0.000 0.774 463 N CB 1.421 39.487 38.487 -0.701 0.000 1.548 463 N HN 0.186 nan 8.380 nan 0.000 0.473 464 S N 0.563 116.258 115.700 -0.008 0.000 2.497 464 S HA -0.002 4.495 4.470 0.044 0.000 0.218 464 S C 1.526 176.136 174.600 0.017 0.000 1.023 464 S CA 0.037 58.236 58.200 -0.001 0.000 0.913 464 S CB -0.775 62.437 63.200 0.019 0.000 0.800 464 S HN 0.711 nan 8.310 nan 0.000 0.505 465 I N -0.875 119.713 120.570 0.030 0.000 2.830 465 I HA 0.240 4.437 4.170 0.044 0.000 0.263 465 I C 1.159 177.308 176.117 0.052 0.000 1.230 465 I CA 1.093 62.425 61.300 0.052 0.000 1.480 465 I CB -0.365 37.687 38.000 0.086 0.000 1.095 465 I HN 0.150 nan 8.210 nan 0.000 0.455 466 N N 1.395 120.122 118.700 0.046 0.000 2.416 466 N HA 0.048 4.814 4.740 0.044 0.000 0.267 466 N C -0.100 175.514 175.510 0.174 0.000 1.294 466 N CA -0.068 53.050 53.050 0.115 0.000 0.891 466 N CB -0.112 38.457 38.487 0.137 0.000 1.238 466 N HN 0.185 nan 8.380 nan 0.000 0.508 467 D N 0.788 121.238 120.400 0.084 0.000 2.811 467 D HA -0.266 4.400 4.640 0.044 0.000 0.231 467 D C -0.073 176.113 176.300 -0.190 0.000 1.157 467 D CA 1.095 55.105 54.000 0.017 0.000 0.716 467 D CB -1.258 39.630 40.800 0.146 0.000 1.077 467 D HN 0.518 nan 8.370 nan 0.000 0.428 468 N N -1.716 116.905 118.700 -0.131 0.000 2.800 468 N HA -0.244 4.522 4.740 0.044 0.000 0.250 468 N C -0.835 174.589 175.510 -0.144 0.000 1.078 468 N CA 1.399 54.340 53.050 -0.182 0.000 0.804 468 N CB -1.334 37.004 38.487 -0.249 0.000 1.135 468 N HN 0.528 nan 8.380 nan 0.000 0.565 469 W N 1.009 122.359 121.300 0.085 0.000 2.381 469 W HA 0.450 5.137 4.660 0.044 0.000 0.329 469 W C -1.629 174.924 176.519 0.056 0.000 1.157 469 W CA -1.714 55.661 57.345 0.050 0.000 1.240 469 W CB 0.585 30.024 29.460 -0.035 0.000 1.199 469 W HN -0.038 nan 8.180 nan 0.000 0.579 470 P HA 0.128 nan 4.420 nan 0.000 0.271 470 P C -0.690 176.748 177.300 0.231 0.000 1.218 470 P CA 0.006 63.226 63.100 0.199 0.000 0.780 470 P CB 0.897 32.557 31.700 -0.067 0.000 0.901 471 R N 1.450 122.086 120.500 0.228 0.000 2.474 471 R HA 0.280 4.647 4.340 0.044 0.000 0.295 471 R C 0.386 176.727 176.300 0.067 0.000 0.980 471 R CA -0.802 55.297 56.100 -0.003 0.000 0.934 471 R CB 1.040 31.129 30.300 -0.352 0.000 1.101 471 R HN 0.509 nan 8.270 nan 0.000 0.469 472 E N 0.870 121.099 120.200 0.048 0.000 2.492 472 E HA -0.055 4.321 4.350 0.044 0.000 0.266 472 E C -0.517 176.110 176.600 0.045 0.000 1.047 472 E CA 0.935 57.370 56.400 0.057 0.000 0.968 472 E CB 0.521 30.241 29.700 0.035 0.000 0.960 472 E HN 0.363 nan 8.360 nan 0.000 0.452 473 T N 3.904 118.494 114.554 0.061 0.000 2.841 473 T HA 0.332 4.708 4.350 0.044 0.000 0.285 473 T C -2.432 172.293 174.700 0.043 0.000 0.991 473 T CA -1.527 60.605 62.100 0.054 0.000 0.966 473 T CB 1.504 70.416 68.868 0.073 0.000 0.962 473 T HN 0.242 nan 8.240 nan 0.000 0.438 474 P HA 0.196 nan 4.420 nan 0.000 0.267 474 P C -2.426 174.881 177.300 0.011 0.000 1.200 474 P CA -1.087 62.022 63.100 0.015 0.000 0.772 474 P CB -0.372 31.332 31.700 0.006 0.000 0.855 475 P HA 0.245 nan 4.420 nan 0.000 0.268 475 P C 0.047 177.336 177.300 -0.019 0.000 1.208 475 P CA 0.418 63.503 63.100 -0.025 0.000 0.777 475 P CB 0.566 32.232 31.700 -0.058 0.000 0.875 476 G N 0.759 109.546 108.800 -0.022 0.000 2.495 476 G HA2 0.394 4.381 3.960 0.044 0.000 0.294 476 G HA3 0.394 4.381 3.960 0.044 0.000 0.294 476 G C -2.611 172.277 174.900 -0.019 0.000 1.397 476 G CA -0.767 44.324 45.100 -0.016 0.000 0.790 476 G HN 0.099 nan 8.290 nan 0.000 0.486 477 P HA 0.086 nan 4.420 nan 0.000 0.218 477 P C 0.052 177.346 177.300 -0.010 0.000 1.149 477 P CA 1.172 64.262 63.100 -0.017 0.000 0.817 477 P CB 0.154 31.847 31.700 -0.012 0.000 0.785 478 K N -1.459 118.942 120.400 0.001 0.000 2.527 478 K HA 0.414 4.761 4.320 0.044 0.000 0.260 478 K C -0.253 176.361 176.600 0.024 0.000 0.937 478 K CA -0.969 55.326 56.287 0.013 0.000 0.826 478 K CB 2.100 34.610 32.500 0.016 0.000 1.359 478 K HN -0.379 nan 8.250 nan 0.000 0.434 479 R N -0.606 119.915 120.500 0.035 0.000 3.770 479 R HA -0.132 4.235 4.340 0.044 0.000 0.305 479 R C -0.000 176.329 176.300 0.048 0.000 1.184 479 R CA 1.061 57.189 56.100 0.047 0.000 0.823 479 R CB -2.159 28.168 30.300 0.045 0.000 1.285 479 R HN 1.041 nan 8.270 nan 0.000 0.499 480 G N -0.848 107.976 108.800 0.039 0.000 2.488 480 G HA2 0.613 4.599 3.960 0.044 0.000 0.318 480 G HA3 0.613 4.599 3.960 0.044 0.000 0.318 480 G C 0.376 175.308 174.900 0.054 0.000 1.188 480 G CA 0.086 45.207 45.100 0.035 0.000 0.944 480 G HN 0.245 nan 8.290 nan 0.000 0.495 481 G N -1.146 107.688 108.800 0.057 0.000 2.594 481 G HA2 0.377 4.364 3.960 0.044 0.000 0.243 481 G HA3 0.377 4.364 3.960 0.044 0.000 0.243 481 G C -0.530 174.424 174.900 0.090 0.000 1.229 481 G CA -0.506 44.649 45.100 0.091 0.000 0.843 481 G HN 0.471 nan 8.290 nan 0.000 0.578 482 F N 0.600 120.566 119.950 0.027 0.000 2.504 482 F HA 0.347 4.901 4.527 0.045 0.000 0.369 482 F C 0.587 176.402 175.800 0.026 0.000 1.082 482 F CA -0.155 57.857 58.000 0.020 0.000 1.216 482 F CB 0.756 39.771 39.000 0.025 0.000 1.108 482 F HN 0.456 nan 8.300 nan 0.000 0.554 483 E N 4.332 124.148 120.200 -0.640 0.000 2.234 483 E HA 0.323 4.699 4.350 0.044 0.000 0.266 483 E C -1.079 175.174 176.600 -0.578 0.000 0.877 483 E CA -0.813 55.371 56.400 -0.359 0.000 0.758 483 E CB 1.504 31.093 29.700 -0.184 0.000 1.170 483 E HN 0.619 nan 8.360 nan 0.000 0.415 484 S N 2.577 118.175 115.700 -0.168 0.000 2.572 484 S HA -0.008 4.488 4.470 0.044 0.000 0.279 484 S C -0.517 174.072 174.600 -0.018 0.000 1.341 484 S CA -0.339 57.852 58.200 -0.015 0.000 1.043 484 S CB 0.133 63.463 63.200 0.217 0.000 0.887 484 S HN 0.474 nan 8.310 nan 0.000 0.516 485 Y N 2.463 122.696 120.300 -0.113 0.000 2.620 485 Y HA 0.001 4.577 4.550 0.044 0.000 0.330 485 Y C 0.868 176.746 175.900 -0.036 0.000 1.186 485 Y CA -0.019 58.025 58.100 -0.093 0.000 1.467 485 Y CB 0.179 38.582 38.460 -0.095 0.000 1.262 485 Y HN 0.590 nan 8.280 nan 0.000 0.550 486 Q N 5.148 124.592 119.800 -0.593 0.000 3.223 486 Q HA 0.004 4.370 4.340 0.044 0.000 0.299 486 Q C -0.174 175.490 176.000 -0.561 0.000 1.385 486 Q CA 0.019 55.552 55.803 -0.450 0.000 0.942 486 Q CB -0.240 28.319 28.738 -0.299 0.000 1.748 486 Q HN 0.653 nan 8.270 nan 0.000 0.523 487 E N 1.520 121.462 120.200 -0.430 0.000 2.415 487 E HA -0.000 4.376 4.350 0.044 0.000 0.262 487 E C -0.109 176.435 176.600 -0.093 0.000 1.038 487 E CA -0.383 55.897 56.400 -0.200 0.000 0.921 487 E CB 0.663 30.399 29.700 0.060 0.000 0.950 487 E HN 0.229 nan 8.360 nan 0.000 0.438 488 R N 2.659 123.134 120.500 -0.041 0.000 2.389 488 R HA 0.252 4.619 4.340 0.044 0.000 0.295 488 R C -1.502 174.814 176.300 0.026 0.000 1.075 488 R CA -0.346 55.748 56.100 -0.010 0.000 1.005 488 R CB 0.882 31.184 30.300 0.004 0.000 0.987 488 R HN 0.246 nan 8.270 nan 0.000 0.452 489 V N 4.435 124.360 119.914 0.017 0.000 2.540 489 V HA 0.458 4.604 4.120 0.044 0.000 0.302 489 V C -0.618 175.487 176.094 0.017 0.000 1.035 489 V CA -0.605 61.711 62.300 0.026 0.000 0.873 489 V CB 1.481 33.317 31.823 0.022 0.000 0.992 489 V HN 0.931 nan 8.190 nan 0.000 0.428 490 E N 2.811 123.023 120.200 0.019 0.000 2.343 490 E HA 0.639 5.016 4.350 0.044 0.000 0.288 490 E C -0.477 176.126 176.600 0.005 0.000 0.907 490 E CA -0.036 56.369 56.400 0.009 0.000 0.792 490 E CB 2.005 31.710 29.700 0.009 0.000 1.275 490 E HN 1.000 nan 8.360 nan 0.000 0.402 491 G N 2.747 111.545 108.800 -0.003 0.000 2.327 491 G HA2 0.093 4.080 3.960 0.044 0.000 0.291 491 G HA3 0.093 4.080 3.960 0.044 0.000 0.291 491 G C -1.461 173.432 174.900 -0.013 0.000 1.290 491 G CA -0.914 44.181 45.100 -0.009 0.000 0.857 491 G HN 0.427 nan 8.290 nan 0.000 0.520 492 N N 0.261 118.950 118.700 -0.018 0.000 2.476 492 N HA 0.365 5.131 4.740 0.044 0.000 0.275 492 N C -0.275 175.221 175.510 -0.024 0.000 1.190 492 N CA -0.359 52.680 53.050 -0.019 0.000 0.977 492 N CB 1.043 39.518 38.487 -0.020 0.000 1.200 492 N HN 0.465 nan 8.380 nan 0.000 0.515 493 K N 0.947 121.333 120.400 -0.024 0.000 2.351 493 K HA 0.186 4.533 4.320 0.044 0.000 0.287 493 K C -0.333 176.246 176.600 -0.036 0.000 1.068 493 K CA -0.140 56.129 56.287 -0.029 0.000 0.998 493 K CB -0.123 32.361 32.500 -0.026 0.000 0.968 493 K HN 0.345 nan 8.250 nan 0.000 0.464 494 V N 0.270 120.157 119.914 -0.044 0.000 2.876 494 V HA 0.481 4.628 4.120 0.044 0.000 0.312 494 V C -0.524 175.530 176.094 -0.067 0.000 1.085 494 V CA -1.361 60.908 62.300 -0.052 0.000 0.945 494 V CB 2.024 33.818 31.823 -0.049 0.000 1.017 494 V HN 0.617 nan 8.190 nan 0.000 0.428 495 R N 2.352 122.808 120.500 -0.074 0.000 2.369 495 R HA 0.617 4.983 4.340 0.044 0.000 0.310 495 R C -0.495 175.757 176.300 -0.080 0.000 1.141 495 R CA -0.127 55.917 56.100 -0.093 0.000 1.116 495 R CB 0.767 30.998 30.300 -0.115 0.000 1.135 495 R HN 0.945 nan 8.270 nan 0.000 0.529 496 E N 1.976 122.125 120.200 -0.085 0.000 2.335 496 E HA 0.237 4.613 4.350 0.044 0.000 0.280 496 E C -1.318 175.216 176.600 -0.110 0.000 0.918 496 E CA -0.994 55.360 56.400 -0.078 0.000 0.765 496 E CB 1.589 31.248 29.700 -0.068 0.000 1.218 496 E HN 0.129 nan 8.360 nan 0.000 0.425 497 R N 1.618 122.059 120.500 -0.099 0.000 2.441 497 R HA 0.271 4.637 4.340 0.044 0.000 0.284 497 R C -0.565 175.618 176.300 -0.194 0.000 1.070 497 R CA 0.009 56.014 56.100 -0.158 0.000 1.047 497 R CB 1.332 31.600 30.300 -0.053 0.000 1.016 497 R HN 0.396 nan 8.270 nan 0.000 0.477 498 S N 4.407 119.874 115.700 -0.389 0.000 2.549 498 S HA 0.120 4.616 4.470 0.044 0.000 0.286 498 S C -1.577 172.985 174.600 -0.064 0.000 1.314 498 S CA -1.241 56.805 58.200 -0.258 0.000 1.062 498 S CB 0.675 63.636 63.200 -0.397 0.000 0.865 498 S HN 0.526 nan 8.310 nan 0.000 0.498 499 P HA -0.094 nan 4.420 nan 0.000 0.219 499 P C 1.524 178.876 177.300 0.086 0.000 1.146 499 P CA 1.102 64.222 63.100 0.033 0.000 0.808 499 P CB -0.096 31.612 31.700 0.014 0.000 0.779 500 S N -1.923 113.864 115.700 0.145 0.000 2.474 500 S HA -0.114 4.383 4.470 0.044 0.000 0.235 500 S C 1.503 176.285 174.600 0.303 0.000 0.997 500 S CA 0.819 59.142 58.200 0.205 0.000 0.949 500 S CB -1.377 61.975 63.200 0.254 0.000 0.766 500 S HN -0.046 nan 8.310 nan 0.000 0.517 501 F N 2.338 122.283 119.950 -0.008 0.000 2.780 501 F HA 0.374 4.927 4.527 0.044 0.000 0.299 501 F C 1.950 177.684 175.800 -0.109 0.000 1.146 501 F CA -0.789 57.200 58.000 -0.018 0.000 1.428 501 F CB -0.752 38.268 39.000 0.034 0.000 1.115 501 F HN 0.354 nan 8.300 nan 0.000 0.583 502 G N 0.721 109.532 108.800 0.019 0.000 3.401 502 G HA2 0.120 4.106 3.960 0.044 0.000 0.251 502 G HA3 0.120 4.106 3.960 0.044 0.000 0.251 502 G C -0.079 174.434 174.900 -0.645 0.000 0.960 502 G CA 0.106 45.041 45.100 -0.275 0.000 1.900 502 G HN 0.060 nan 8.290 nan 0.000 0.645 503 E N 0.275 119.998 120.200 -0.796 0.000 2.278 503 E HA 0.292 4.669 4.350 0.044 0.000 0.272 503 E C -0.858 175.313 176.600 -0.716 0.000 0.890 503 E CA -0.717 55.278 56.400 -0.676 0.000 0.770 503 E CB 1.514 31.063 29.700 -0.252 0.000 1.212 503 E HN 0.211 nan 8.360 nan 0.000 0.415 504 Y N 2.536 122.622 120.300 -0.356 0.000 2.426 504 Y HA 0.196 4.773 4.550 0.044 0.000 0.249 504 Y C 0.795 176.402 175.900 -0.487 0.000 1.103 504 Y CA -0.014 57.756 58.100 -0.550 0.000 1.256 504 Y CB 0.440 38.395 38.460 -0.841 0.000 1.208 504 Y HN 0.444 nan 8.280 nan 0.000 0.519 505 Y N -2.317 118.056 120.300 0.121 0.000 2.467 505 Y HA 0.174 4.751 4.550 0.044 0.000 0.259 505 Y C 2.228 178.184 175.900 0.094 0.000 1.084 505 Y CA 0.066 58.237 58.100 0.117 0.000 1.275 505 Y CB -0.144 38.390 38.460 0.123 0.000 1.208 505 Y HN -0.151 nan 8.280 nan 0.000 0.511 506 S N -0.328 115.502 115.700 0.216 0.000 2.368 506 S HA -0.177 4.320 4.470 0.044 0.000 0.224 506 S C 1.476 176.162 174.600 0.144 0.000 1.029 506 S CA 1.707 60.019 58.200 0.188 0.000 0.988 506 S CB -0.270 63.048 63.200 0.197 0.000 0.838 506 S HN 0.481 nan 8.310 nan 0.000 0.462 507 H N 1.180 120.163 119.070 -0.146 0.000 2.326 507 H HA 0.059 4.641 4.556 0.044 0.000 0.301 507 H C -0.606 174.529 175.328 -0.321 0.000 1.081 507 H CA 1.022 56.843 56.048 -0.380 0.000 1.334 507 H CB -1.768 27.526 29.762 -0.781 0.000 1.385 507 H HN 0.296 nan 8.280 nan 0.000 0.504 508 P HA -0.190 nan 4.420 nan 0.000 0.217 508 P C 1.494 178.973 177.300 0.298 0.000 1.151 508 P CA 1.791 65.037 63.100 0.245 0.000 0.849 508 P CB 0.084 31.950 31.700 0.277 0.000 0.787 509 R N -0.502 120.124 120.500 0.210 0.000 2.073 509 R HA -0.097 4.269 4.340 0.044 0.000 0.229 509 R C 2.174 178.596 176.300 0.203 0.000 1.120 509 R CA 1.051 57.281 56.100 0.216 0.000 0.967 509 R CB -1.026 29.367 30.300 0.156 0.000 0.862 509 R HN 0.079 nan 8.270 nan 0.000 0.436 510 L N 0.521 121.805 121.223 0.103 0.000 2.046 510 L HA -0.137 4.230 4.340 0.044 0.000 0.208 510 L C 1.982 178.891 176.870 0.064 0.000 1.077 510 L CA 1.733 56.592 54.840 0.032 0.000 0.747 510 L CB -0.734 41.267 42.059 -0.097 0.000 0.896 510 L HN 0.214 nan 8.230 nan 0.000 0.432 511 F N -0.399 119.565 119.950 0.024 0.000 2.043 511 F HA -0.322 4.231 4.527 0.044 0.000 0.297 511 F C 2.376 178.176 175.800 -0.000 0.000 1.121 511 F CA 2.505 60.504 58.000 -0.001 0.000 1.199 511 F CB -0.731 38.300 39.000 0.052 0.000 0.968 511 F HN 0.409 nan 8.300 nan 0.000 0.478 512 W N 1.310 122.584 121.300 -0.044 0.000 2.318 512 W HA -0.264 4.422 4.660 0.044 0.000 0.313 512 W C 1.769 178.161 176.519 -0.211 0.000 1.221 512 W CA 1.895 59.163 57.345 -0.128 0.000 1.266 512 W CB -0.747 28.731 29.460 0.030 0.000 1.150 512 W HN 0.121 nan 8.180 nan 0.000 0.496 513 L N 1.065 122.206 121.223 -0.136 0.000 2.376 513 L HA -0.130 4.237 4.340 0.044 0.000 0.219 513 L C 2.335 179.008 176.870 -0.327 0.000 1.133 513 L CA 0.961 55.650 54.840 -0.252 0.000 0.816 513 L CB -0.595 41.441 42.059 -0.038 0.000 0.933 513 L HN -0.152 nan 8.230 nan 0.000 0.449 514 S N -1.405 114.079 115.700 -0.360 0.000 2.558 514 S HA 0.053 4.549 4.470 0.044 0.000 0.217 514 S C 0.717 175.032 174.600 -0.476 0.000 0.975 514 S CA 0.099 58.084 58.200 -0.357 0.000 0.912 514 S CB 0.026 63.044 63.200 -0.304 0.000 0.776 514 S HN 0.300 nan 8.310 nan 0.000 0.526 515 Q N 2.208 121.627 119.800 -0.635 0.000 2.260 515 Q HA 0.296 4.662 4.340 0.044 0.000 0.242 515 Q C 0.629 176.241 176.000 -0.646 0.000 0.932 515 Q CA -0.112 55.281 55.803 -0.684 0.000 0.891 515 Q CB 0.451 28.722 28.738 -0.778 0.000 1.222 515 Q HN 0.420 nan 8.270 nan 0.000 0.453 516 T N -1.900 112.228 114.554 -0.711 0.000 2.726 516 T HA 0.185 4.562 4.350 0.044 0.000 0.294 516 T C -1.790 172.453 174.700 -0.761 0.000 1.013 516 T CA -1.313 60.330 62.100 -0.760 0.000 0.996 516 T CB 0.347 68.510 68.868 -1.176 0.000 1.016 516 T HN 0.228 nan 8.240 nan 0.000 0.529 517 P HA 0.061 nan 4.420 nan 0.000 0.219 517 P C 1.314 178.417 177.300 -0.327 0.000 1.150 517 P CA 0.664 63.542 63.100 -0.370 0.000 0.814 517 P CB -0.225 31.372 31.700 -0.172 0.000 0.787 518 F N -0.262 119.488 119.950 -0.333 0.000 2.325 518 F HA 0.084 4.638 4.527 0.044 0.000 0.299 518 F C 1.725 177.162 175.800 -0.605 0.000 1.090 518 F CA 0.782 58.521 58.000 -0.436 0.000 1.392 518 F CB -1.418 37.311 39.000 -0.451 0.000 1.053 518 F HN -0.119 nan 8.300 nan 0.000 0.521 519 E N 0.614 120.271 120.200 -0.905 0.000 2.107 519 E HA -0.176 4.200 4.350 0.044 0.000 0.191 519 E C 2.186 178.595 176.600 -0.319 0.000 0.982 519 E CA 1.167 57.241 56.400 -0.543 0.000 0.809 519 E CB -0.260 29.083 29.700 -0.595 0.000 0.756 519 E HN 0.605 nan 8.360 nan 0.000 0.459 520 Q N 0.418 119.943 119.800 -0.458 0.000 2.135 520 Q HA -0.213 4.153 4.340 0.044 0.000 0.204 520 Q C 2.222 178.254 176.000 0.053 0.000 0.981 520 Q CA 1.304 56.873 55.803 -0.391 0.000 0.856 520 Q CB -0.137 28.063 28.738 -0.896 0.000 0.902 520 Q HN -0.009 nan 8.270 nan 0.000 0.425 521 R N 0.417 120.915 120.500 -0.004 0.000 2.091 521 R HA -0.155 4.212 4.340 0.044 0.000 0.238 521 R C 1.570 178.057 176.300 0.311 0.000 1.136 521 R CA 1.920 58.112 56.100 0.154 0.000 0.959 521 R CB -0.476 29.891 30.300 0.112 0.000 0.856 521 R HN 0.482 nan 8.270 nan 0.000 0.437 522 H N -0.939 118.227 119.070 0.161 0.000 2.428 522 H HA 0.022 4.605 4.556 0.044 0.000 0.296 522 H C 1.987 177.434 175.328 0.199 0.000 1.062 522 H CA 1.110 57.269 56.048 0.184 0.000 1.350 522 H CB 0.085 29.962 29.762 0.192 0.000 1.403 522 H HN 0.179 nan 8.280 nan 0.000 0.533 523 I N 0.137 120.931 120.570 0.372 0.000 2.202 523 I HA -0.253 3.943 4.170 0.044 0.000 0.242 523 I C 2.298 178.705 176.117 0.484 0.000 1.091 523 I CA 0.753 62.304 61.300 0.420 0.000 1.368 523 I CB -0.129 38.206 38.000 0.559 0.000 1.058 523 I HN 0.070 nan 8.210 nan 0.000 0.410 524 V N 0.987 121.175 119.914 0.456 0.000 2.282 524 V HA -0.339 3.807 4.120 0.044 0.000 0.249 524 V C 2.011 178.277 176.094 0.286 0.000 1.057 524 V CA 2.181 64.688 62.300 0.345 0.000 1.032 524 V CB -0.699 31.288 31.823 0.273 0.000 0.645 524 V HN 0.435 nan 8.190 nan 0.000 0.447 525 D N 0.261 120.816 120.400 0.258 0.000 2.178 525 D HA -0.070 4.597 4.640 0.044 0.000 0.202 525 D C 2.159 178.535 176.300 0.126 0.000 0.974 525 D CA 1.446 55.561 54.000 0.193 0.000 0.841 525 D CB -0.484 40.430 40.800 0.191 0.000 0.953 525 D HN 0.495 nan 8.370 nan 0.000 0.478 526 G N -0.008 108.846 108.800 0.089 0.000 2.404 526 G HA2 -0.216 3.770 3.960 0.044 0.000 0.215 526 G HA3 -0.216 3.770 3.960 0.044 0.000 0.215 526 G C 1.439 176.338 174.900 -0.002 0.000 1.174 526 G CA 0.056 45.113 45.100 -0.073 0.000 0.780 526 G HN 0.162 nan 8.290 nan 0.000 0.537 527 F N 1.848 121.830 119.950 0.053 0.000 2.134 527 F HA -0.075 4.479 4.527 0.045 0.000 0.299 527 F C 3.138 178.852 175.800 -0.144 0.000 1.097 527 F CA 1.603 59.569 58.000 -0.057 0.000 1.264 527 F CB -0.230 38.742 39.000 -0.047 0.000 1.001 527 F HN 0.080 nan 8.300 nan 0.000 0.479 528 S N -0.161 115.630 115.700 0.152 0.000 2.356 528 S HA -0.201 4.295 4.470 0.044 0.000 0.223 528 S C 1.861 176.483 174.600 0.036 0.000 1.032 528 S CA 1.226 59.464 58.200 0.065 0.000 1.005 528 S CB -0.748 62.512 63.200 0.099 0.000 0.867 528 S HN 0.385 nan 8.310 nan 0.000 0.449 529 F N 2.598 122.504 119.950 -0.074 0.000 2.075 529 F HA -0.117 4.436 4.527 0.044 0.000 0.297 529 F C 2.411 178.146 175.800 -0.109 0.000 1.113 529 F CA 1.547 59.493 58.000 -0.090 0.000 1.218 529 F CB -0.285 38.602 39.000 -0.187 0.000 0.984 529 F HN 0.119 nan 8.300 nan 0.000 0.472 530 E N 0.179 120.388 120.200 0.015 0.000 2.038 530 E HA -0.211 4.166 4.350 0.044 0.000 0.195 530 E C 2.223 178.661 176.600 -0.270 0.000 1.000 530 E CA 1.220 57.600 56.400 -0.032 0.000 0.803 530 E CB -0.558 29.241 29.700 0.164 0.000 0.750 530 E HN 0.310 nan 8.360 nan 0.000 0.448 531 L N 1.388 122.337 121.223 -0.458 0.000 2.131 531 L HA -0.151 4.216 4.340 0.044 0.000 0.210 531 L C 2.676 179.384 176.870 -0.268 0.000 1.092 531 L CA 1.816 56.371 54.840 -0.476 0.000 0.759 531 L CB -1.485 40.307 42.059 -0.445 0.000 0.903 531 L HN 0.131 nan 8.230 nan 0.000 0.435 532 S N -1.373 114.186 115.700 -0.235 0.000 2.469 532 S HA -0.138 4.358 4.470 0.044 0.000 0.238 532 S C 1.634 176.117 174.600 -0.195 0.000 0.998 532 S CA 0.688 58.771 58.200 -0.195 0.000 0.957 532 S CB -0.150 62.931 63.200 -0.197 0.000 0.764 532 S HN 0.272 nan 8.310 nan 0.000 0.514 533 K N 1.162 121.431 120.400 -0.218 0.000 2.404 533 K HA 0.363 4.709 4.320 0.044 0.000 0.194 533 K C -0.117 176.481 176.600 -0.005 0.000 1.023 533 K CA -0.073 56.144 56.287 -0.117 0.000 1.094 533 K CB 0.044 32.475 32.500 -0.115 0.000 0.841 533 K HN 0.321 nan 8.250 nan 0.000 0.523 534 V N 2.243 122.135 119.914 -0.037 0.000 2.427 534 V HA -0.001 4.145 4.120 0.044 0.000 0.268 534 V C 1.705 177.787 176.094 -0.020 0.000 1.046 534 V CA -0.057 62.245 62.300 0.004 0.000 0.970 534 V CB 1.259 33.047 31.823 -0.057 0.000 1.001 534 V HN -0.117 nan 8.190 nan 0.000 0.476 535 V N 5.194 125.120 119.914 0.019 0.000 2.548 535 V HA -0.031 4.116 4.120 0.044 0.000 0.249 535 V C 1.277 177.360 176.094 -0.018 0.000 1.055 535 V CA 1.200 63.507 62.300 0.011 0.000 1.065 535 V CB -0.512 31.337 31.823 0.043 0.000 0.681 535 V HN 0.759 nan 8.190 nan 0.000 0.462 536 R N 0.802 121.266 120.500 -0.061 0.000 2.220 536 R HA 0.206 4.572 4.340 0.044 0.000 0.340 536 R C -1.790 174.393 176.300 -0.195 0.000 1.076 536 R CA -1.454 54.583 56.100 -0.105 0.000 0.920 536 R CB 0.659 30.842 30.300 -0.195 0.000 1.062 536 R HN 0.216 nan 8.270 nan 0.000 0.469 537 P HA -0.213 nan 4.420 nan 0.000 0.218 537 P C 0.738 177.997 177.300 -0.068 0.000 1.148 537 P CA 1.140 64.208 63.100 -0.054 0.000 0.822 537 P CB 0.019 31.727 31.700 0.014 0.000 0.784 538 Y N -1.356 118.946 120.300 0.003 0.000 2.315 538 Y HA -0.114 4.463 4.550 0.044 0.000 0.288 538 Y C 1.831 177.740 175.900 0.014 0.000 1.154 538 Y CA 0.811 58.914 58.100 0.005 0.000 1.229 538 Y CB -1.720 36.743 38.460 0.006 0.000 0.980 538 Y HN -0.070 nan 8.280 nan 0.000 0.540 539 I N 0.732 120.885 120.570 -0.696 0.000 2.286 539 I HA -0.202 3.995 4.170 0.044 0.000 0.245 539 I C 2.500 178.527 176.117 -0.149 0.000 1.104 539 I CA 1.123 62.176 61.300 -0.411 0.000 1.397 539 I CB -0.373 37.377 38.000 -0.418 0.000 1.072 539 I HN 0.159 nan 8.210 nan 0.000 0.417 540 R N 0.900 121.304 120.500 -0.160 0.000 2.105 540 R HA -0.191 4.175 4.340 0.044 0.000 0.239 540 R C 2.079 178.331 176.300 -0.080 0.000 1.135 540 R CA 1.505 57.525 56.100 -0.134 0.000 0.967 540 R CB -0.404 29.816 30.300 -0.133 0.000 0.861 540 R HN 0.478 nan 8.270 nan 0.000 0.442 541 E N 0.363 120.538 120.200 -0.042 0.000 2.072 541 E HA -0.144 4.232 4.350 0.044 0.000 0.191 541 E C 2.122 178.731 176.600 0.014 0.000 0.985 541 E CA 0.918 57.314 56.400 -0.006 0.000 0.801 541 E CB -0.013 29.705 29.700 0.030 0.000 0.750 541 E HN 0.273 nan 8.360 nan 0.000 0.452 542 R N 0.327 120.850 120.500 0.038 0.000 2.092 542 R HA -0.080 4.286 4.340 0.044 0.000 0.231 542 R C 2.369 178.704 176.300 0.058 0.000 1.119 542 R CA 0.898 57.037 56.100 0.064 0.000 0.970 542 R CB -0.143 30.215 30.300 0.096 0.000 0.864 542 R HN 0.047 nan 8.270 nan 0.000 0.440 543 V N 0.222 120.164 119.914 0.046 0.000 2.307 543 V HA -0.194 3.953 4.120 0.044 0.000 0.245 543 V C 2.290 178.380 176.094 -0.008 0.000 1.045 543 V CA 1.443 63.786 62.300 0.072 0.000 1.024 543 V CB -0.297 31.584 31.823 0.097 0.000 0.651 543 V HN 0.106 nan 8.190 nan 0.000 0.449 544 V N 0.805 120.681 119.914 -0.063 0.000 2.324 544 V HA -0.374 3.773 4.120 0.044 0.000 0.250 544 V C 2.303 178.357 176.094 -0.066 0.000 1.060 544 V CA 2.647 64.886 62.300 -0.102 0.000 1.042 544 V CB -0.768 30.998 31.823 -0.095 0.000 0.650 544 V HN 0.713 nan 8.190 nan 0.000 0.450 545 D N -1.075 119.319 120.400 -0.010 0.000 2.144 545 D HA -0.201 4.465 4.640 0.044 0.000 0.199 545 D C 2.246 178.618 176.300 0.121 0.000 0.984 545 D CA 1.036 55.055 54.000 0.032 0.000 0.834 545 D CB 0.008 40.846 40.800 0.063 0.000 0.955 545 D HN 0.361 nan 8.370 nan 0.000 0.465 546 Q N -0.104 119.763 119.800 0.113 0.000 2.079 546 Q HA -0.085 4.282 4.340 0.044 0.000 0.200 546 Q C 2.556 178.605 176.000 0.081 0.000 0.974 546 Q CA 0.733 56.633 55.803 0.161 0.000 0.840 546 Q CB -0.275 28.567 28.738 0.174 0.000 0.898 546 Q HN 0.475 nan 8.270 nan 0.000 0.430 547 L N 0.143 121.334 121.223 -0.054 0.000 2.131 547 L HA -0.108 4.258 4.340 0.044 0.000 0.210 547 L C 2.404 179.157 176.870 -0.195 0.000 1.092 547 L CA 0.878 55.605 54.840 -0.188 0.000 0.759 547 L CB -0.741 41.092 42.059 -0.377 0.000 0.903 547 L HN 0.089 nan 8.230 nan 0.000 0.435 548 A N -0.926 121.792 122.820 -0.170 0.000 2.076 548 A HA -0.216 4.130 4.320 0.044 0.000 0.220 548 A C 1.975 179.365 177.584 -0.322 0.000 1.160 548 A CA 1.311 53.208 52.037 -0.233 0.000 0.653 548 A CB -0.735 18.126 19.000 -0.232 0.000 0.801 548 A HN 0.469 nan 8.150 nan 0.000 0.455 549 H N -1.561 117.308 119.070 -0.334 0.000 2.548 549 H HA 0.200 4.783 4.556 0.044 0.000 0.265 549 H C 1.556 176.604 175.328 -0.465 0.000 0.969 549 H CA 0.920 56.633 56.048 -0.558 0.000 1.155 549 H CB 0.275 29.309 29.762 -1.214 0.000 1.394 549 H HN 0.514 nan 8.280 nan 0.000 0.570 550 I N -0.474 120.003 120.570 -0.155 0.000 2.900 550 I HA 0.029 4.225 4.170 0.044 0.000 0.251 550 I C -0.051 175.997 176.117 -0.115 0.000 1.102 550 I CA 0.469 61.747 61.300 -0.037 0.000 1.457 550 I CB 0.730 38.737 38.000 0.013 0.000 1.285 550 I HN -0.009 nan 8.210 nan 0.000 0.459 551 D N -0.380 119.876 120.400 -0.239 0.000 2.937 551 D HA 0.142 4.809 4.640 0.044 0.000 0.215 551 D C 0.280 176.409 176.300 -0.285 0.000 1.274 551 D CA -0.397 53.442 54.000 -0.268 0.000 0.869 551 D CB 1.483 42.011 40.800 -0.454 0.000 1.675 551 D HN -0.045 nan 8.370 nan 0.000 0.538 552 L N 3.131 124.247 121.223 -0.178 0.000 2.093 552 L HA -0.046 4.321 4.340 0.044 0.000 0.208 552 L C 1.235 178.023 176.870 -0.137 0.000 1.085 552 L CA 1.997 56.746 54.840 -0.151 0.000 0.755 552 L CB -0.807 41.191 42.059 -0.101 0.000 0.904 552 L HN 0.603 nan 8.230 nan 0.000 0.435 553 T N 1.112 115.611 114.554 -0.090 0.000 2.708 553 T HA -0.209 4.167 4.350 0.044 0.000 0.266 553 T C 1.893 176.531 174.700 -0.103 0.000 1.037 553 T CA 1.646 63.735 62.100 -0.018 0.000 1.146 553 T CB -0.437 68.518 68.868 0.144 0.000 0.865 553 T HN 0.331 nan 8.240 nan 0.000 0.435 554 L N 1.782 122.773 121.223 -0.385 0.000 1.990 554 L HA -0.092 4.274 4.340 0.044 0.000 0.213 554 L C 2.607 179.240 176.870 -0.394 0.000 1.072 554 L CA 2.287 56.725 54.840 -0.670 0.000 0.755 554 L CB -1.154 40.054 42.059 -1.418 0.000 0.889 554 L HN 0.231 nan 8.230 nan 0.000 0.432 555 A N -1.265 121.342 122.820 -0.355 0.000 1.902 555 A HA -0.254 4.092 4.320 0.044 0.000 0.217 555 A C 2.240 179.721 177.584 -0.172 0.000 1.181 555 A CA 1.878 53.756 52.037 -0.265 0.000 0.623 555 A CB -0.679 18.183 19.000 -0.230 0.000 0.818 555 A HN 0.704 nan 8.150 nan 0.000 0.443 556 Q N -0.885 118.837 119.800 -0.130 0.000 2.124 556 Q HA -0.103 4.263 4.340 0.044 0.000 0.202 556 Q C 2.432 178.401 176.000 -0.051 0.000 0.977 556 Q CA 1.268 57.025 55.803 -0.077 0.000 0.850 556 Q CB -0.340 28.367 28.738 -0.051 0.000 0.901 556 Q HN 0.697 nan 8.270 nan 0.000 0.429 557 A N 0.152 122.948 122.820 -0.040 0.000 1.898 557 A HA -0.128 4.219 4.320 0.044 0.000 0.216 557 A C 2.278 179.859 177.584 -0.005 0.000 1.181 557 A CA 1.250 53.290 52.037 0.005 0.000 0.620 557 A CB -0.559 18.476 19.000 0.059 0.000 0.819 557 A HN 0.206 nan 8.150 nan 0.000 0.442 558 V N -0.090 119.790 119.914 -0.057 0.000 2.307 558 V HA -0.221 3.925 4.120 0.044 0.000 0.245 558 V C 3.070 179.129 176.094 -0.058 0.000 1.045 558 V CA 1.792 64.058 62.300 -0.058 0.000 1.024 558 V CB -1.406 30.334 31.823 -0.139 0.000 0.651 558 V HN 0.612 nan 8.190 nan 0.000 0.449 559 A N 0.177 122.950 122.820 -0.079 0.000 1.915 559 A HA -0.387 3.959 4.320 0.044 0.000 0.220 559 A C 2.318 179.882 177.584 -0.034 0.000 1.198 559 A CA 2.800 54.801 52.037 -0.061 0.000 0.647 559 A CB -0.659 18.302 19.000 -0.065 0.000 0.825 559 A HN 0.565 nan 8.150 nan 0.000 0.456 560 K N -0.651 119.737 120.400 -0.021 0.000 2.032 560 K HA -0.211 4.136 4.320 0.044 0.000 0.209 560 K C 1.676 178.279 176.600 0.005 0.000 1.048 560 K CA 1.744 58.029 56.287 -0.004 0.000 0.927 560 K CB -0.235 32.270 32.500 0.008 0.000 0.712 560 K HN 0.458 nan 8.250 nan 0.000 0.441 561 N N 0.578 119.285 118.700 0.011 0.000 2.348 561 N HA -0.134 4.633 4.740 0.044 0.000 0.185 561 N C 1.190 176.702 175.510 0.003 0.000 1.019 561 N CA 0.978 54.041 53.050 0.022 0.000 0.880 561 N CB 0.027 38.539 38.487 0.042 0.000 0.965 561 N HN 0.291 nan 8.380 nan 0.000 0.437 562 L N -1.057 120.157 121.223 -0.016 0.000 2.640 562 L HA 0.258 4.625 4.340 0.044 0.000 0.230 562 L C 1.018 177.873 176.870 -0.024 0.000 1.123 562 L CA -0.077 54.744 54.840 -0.032 0.000 0.900 562 L CB -0.054 41.971 42.059 -0.056 0.000 1.146 562 L HN 0.081 nan 8.230 nan 0.000 0.484 563 G N 1.554 110.346 108.800 -0.014 0.000 2.225 563 G HA2 -0.300 3.686 3.960 0.044 0.000 0.267 563 G HA3 -0.300 3.686 3.960 0.044 0.000 0.267 563 G C 0.129 175.020 174.900 -0.014 0.000 1.024 563 G CA 0.246 45.341 45.100 -0.010 0.000 0.784 563 G HN 0.347 nan 8.290 nan 0.000 0.507 564 I N -0.004 120.553 120.570 -0.022 0.000 2.392 564 I HA 0.395 4.591 4.170 0.044 0.000 0.295 564 I C 0.361 176.463 176.117 -0.025 0.000 0.985 564 I CA -0.626 60.660 61.300 -0.024 0.000 1.221 564 I CB 1.562 39.542 38.000 -0.035 0.000 1.366 564 I HN 0.057 nan 8.210 nan 0.000 0.467 565 E N 5.864 126.051 120.200 -0.021 0.000 2.166 565 E HA 0.439 4.816 4.350 0.044 0.000 0.275 565 E C -0.986 175.596 176.600 -0.029 0.000 0.941 565 E CA -0.738 55.648 56.400 -0.023 0.000 0.784 565 E CB 1.796 31.486 29.700 -0.017 0.000 1.115 565 E HN 0.409 nan 8.360 nan 0.000 0.399 566 L N 2.910 124.110 121.223 -0.038 0.000 2.456 566 L HA 0.116 4.483 4.340 0.044 0.000 0.272 566 L C 1.150 177.997 176.870 -0.039 0.000 1.189 566 L CA -0.256 54.556 54.840 -0.047 0.000 0.846 566 L CB 0.069 42.091 42.059 -0.063 0.000 1.111 566 L HN 0.654 nan 8.230 nan 0.000 0.475 567 T N -2.022 112.509 114.554 -0.038 0.000 2.766 567 T HA 0.030 4.407 4.350 0.044 0.000 0.295 567 T C 0.669 175.345 174.700 -0.039 0.000 1.024 567 T CA -0.543 61.538 62.100 -0.032 0.000 1.018 567 T CB 0.932 69.783 68.868 -0.027 0.000 1.002 567 T HN 0.550 nan 8.240 nan 0.000 0.532 568 D N 0.223 120.604 120.400 -0.032 0.000 2.144 568 D HA -0.039 4.628 4.640 0.044 0.000 0.200 568 D C 1.682 177.957 176.300 -0.042 0.000 0.978 568 D CA 1.065 55.045 54.000 -0.034 0.000 0.833 568 D CB -0.165 40.620 40.800 -0.025 0.000 0.961 568 D HN 0.590 nan 8.370 nan 0.000 0.470 569 D N 0.231 120.607 120.400 -0.040 0.000 2.123 569 D HA -0.153 4.513 4.640 0.044 0.000 0.196 569 D C 1.982 178.234 176.300 -0.080 0.000 0.992 569 D CA 0.846 54.817 54.000 -0.049 0.000 0.833 569 D CB -0.277 40.502 40.800 -0.035 0.000 0.954 569 D HN 0.327 nan 8.370 nan 0.000 0.455 570 Q N -0.432 119.317 119.800 -0.085 0.000 2.079 570 Q HA -0.080 4.286 4.340 0.044 0.000 0.200 570 Q C 1.889 177.806 176.000 -0.138 0.000 0.974 570 Q CA 0.482 56.208 55.803 -0.129 0.000 0.840 570 Q CB -0.004 28.670 28.738 -0.107 0.000 0.898 570 Q HN 0.154 nan 8.270 nan 0.000 0.430 571 L N 0.751 121.915 121.223 -0.098 0.000 2.353 571 L HA -0.156 4.211 4.340 0.044 0.000 0.220 571 L C 0.757 177.576 176.870 -0.086 0.000 1.133 571 L CA 1.677 56.465 54.840 -0.086 0.000 0.798 571 L CB -0.613 41.410 42.059 -0.060 0.000 0.922 571 L HN 0.246 nan 8.230 nan 0.000 0.445 572 N N -1.441 117.206 118.700 -0.089 0.000 2.235 572 N HA 0.183 4.950 4.740 0.044 0.000 0.209 572 N C 0.153 175.603 175.510 -0.100 0.000 1.122 572 N CA -0.219 52.784 53.050 -0.078 0.000 0.845 572 N CB 0.511 38.964 38.487 -0.056 0.000 1.004 572 N HN 0.187 nan 8.380 nan 0.000 0.499 573 I N 1.718 122.195 120.570 -0.156 0.000 2.598 573 I HA -0.042 4.154 4.170 0.044 0.000 0.284 573 I C 0.412 176.441 176.117 -0.147 0.000 1.140 573 I CA 0.223 61.399 61.300 -0.208 0.000 1.420 573 I CB 0.467 38.217 38.000 -0.417 0.000 1.387 573 I HN 0.051 nan 8.210 nan 0.000 0.553 574 T N 7.897 122.394 114.554 -0.094 0.000 2.901 574 T HA 0.185 4.561 4.350 0.044 0.000 0.301 574 T C -2.041 172.627 174.700 -0.053 0.000 1.012 574 T CA -0.877 61.191 62.100 -0.052 0.000 1.135 574 T CB 0.265 69.123 68.868 -0.017 0.000 0.936 574 T HN 0.377 nan 8.240 nan 0.000 0.539 575 P HA 0.239 nan 4.420 nan 0.000 0.272 575 P C -2.292 175.025 177.300 0.028 0.000 1.230 575 P CA -1.435 61.654 63.100 -0.019 0.000 0.788 575 P CB -0.436 31.263 31.700 -0.002 0.000 0.949 576 P HA 0.179 nan 4.420 nan 0.000 0.272 576 P C -2.367 174.989 177.300 0.094 0.000 1.230 576 P CA -1.306 61.863 63.100 0.115 0.000 0.788 576 P CB -0.712 31.105 31.700 0.194 0.000 0.949 577 P HA 0.045 nan 4.420 nan 0.000 0.270 577 P C -0.449 176.903 177.300 0.087 0.000 1.223 577 P CA 0.082 63.230 63.100 0.081 0.000 0.785 577 P CB 0.325 32.074 31.700 0.082 0.000 0.923 578 D N -0.220 120.224 120.400 0.073 0.000 2.369 578 D HA 0.178 4.844 4.640 0.044 0.000 0.241 578 D C -0.232 176.122 176.300 0.090 0.000 1.271 578 D CA -0.497 53.545 54.000 0.069 0.000 0.942 578 D CB -0.134 40.698 40.800 0.053 0.000 1.129 578 D HN -0.003 nan 8.370 nan 0.000 0.476 579 V N 1.259 121.218 119.914 0.075 0.000 2.334 579 V HA 0.151 4.297 4.120 0.044 0.000 0.267 579 V C -0.119 176.071 176.094 0.161 0.000 1.040 579 V CA -0.754 61.622 62.300 0.128 0.000 0.866 579 V CB -0.479 31.338 31.823 -0.009 0.000 1.019 579 V HN 0.667 nan 8.190 nan 0.000 0.468 580 N N 4.440 123.255 118.700 0.191 0.000 2.714 580 N HA -0.226 4.540 4.740 0.044 0.000 0.252 580 N C 1.170 176.748 175.510 0.114 0.000 1.014 580 N CA 1.257 54.406 53.050 0.165 0.000 0.735 580 N CB -0.906 37.727 38.487 0.244 0.000 0.924 580 N HN 1.310 nan 8.380 nan 0.000 0.540 581 G N -2.165 106.687 108.800 0.087 0.000 2.199 581 G HA2 -0.324 3.662 3.960 0.044 0.000 0.254 581 G HA3 -0.324 3.662 3.960 0.044 0.000 0.254 581 G C 0.106 175.037 174.900 0.053 0.000 0.982 581 G CA 0.275 45.412 45.100 0.062 0.000 0.632 581 G HN 0.399 nan 8.290 nan 0.000 0.529 582 L N 0.634 121.892 121.223 0.058 0.000 2.319 582 L HA 0.357 4.724 4.340 0.044 0.000 0.280 582 L C 1.522 178.405 176.870 0.022 0.000 1.099 582 L CA -0.281 54.581 54.840 0.037 0.000 0.828 582 L CB 1.021 43.101 42.059 0.035 0.000 1.150 582 L HN 0.018 nan 8.230 nan 0.000 0.442 583 K N 3.500 123.907 120.400 0.012 0.000 2.374 583 K HA 0.125 4.472 4.320 0.044 0.000 0.196 583 K C -0.232 176.358 176.600 -0.017 0.000 1.023 583 K CA 0.202 56.491 56.287 0.004 0.000 1.103 583 K CB 0.404 32.907 32.500 0.004 0.000 0.848 583 K HN 0.621 nan 8.250 nan 0.000 0.528 584 K N -0.573 119.813 120.400 -0.024 0.000 3.040 584 K HA 0.163 4.510 4.320 0.044 0.000 0.300 584 K C -2.139 174.438 176.600 -0.038 0.000 1.092 584 K CA -0.863 55.393 56.287 -0.051 0.000 0.831 584 K CB 0.779 33.227 32.500 -0.086 0.000 1.469 584 K HN -0.247 nan 8.250 nan 0.000 0.365 585 D N 1.126 121.495 120.400 -0.051 0.000 2.479 585 D HA 0.326 4.992 4.640 0.044 0.000 0.246 585 D C -2.202 174.072 176.300 -0.043 0.000 1.336 585 D CA -1.918 52.069 54.000 -0.021 0.000 0.967 585 D CB 2.148 42.956 40.800 0.014 0.000 1.275 585 D HN 0.193 nan 8.370 nan 0.000 0.577 586 P HA -0.099 nan 4.420 nan 0.000 0.225 586 P C 1.327 178.612 177.300 -0.026 0.000 1.148 586 P CA 0.811 63.873 63.100 -0.062 0.000 0.779 586 P CB 0.213 31.889 31.700 -0.040 0.000 0.780 587 S N -1.125 114.593 115.700 0.030 0.000 2.500 587 S HA -0.073 4.424 4.470 0.044 0.000 0.239 587 S C 1.637 176.314 174.600 0.128 0.000 0.989 587 S CA 0.797 59.052 58.200 0.092 0.000 0.951 587 S CB -1.378 61.902 63.200 0.132 0.000 0.759 587 S HN 0.152 nan 8.310 nan 0.000 0.523 588 L N 1.173 122.428 121.223 0.053 0.000 2.492 588 L HA 0.218 4.585 4.340 0.044 0.000 0.223 588 L C 1.381 178.136 176.870 -0.191 0.000 1.132 588 L CA 0.110 54.969 54.840 0.032 0.000 0.850 588 L CB -0.193 41.854 42.059 -0.020 0.000 0.966 588 L HN 0.337 nan 8.230 nan 0.000 0.454 589 S N -0.512 115.069 115.700 -0.199 0.000 2.578 589 S HA 0.328 4.825 4.470 0.044 0.000 0.283 589 S C 1.039 175.517 174.600 -0.203 0.000 1.195 589 S CA -0.663 57.362 58.200 -0.293 0.000 1.050 589 S CB 1.451 64.482 63.200 -0.282 0.000 1.012 589 S HN 0.160 nan 8.310 nan 0.000 0.511 590 L N 3.158 124.187 121.223 -0.324 0.000 2.156 590 L HA 0.004 4.371 4.340 0.044 0.000 0.208 590 L C 0.876 177.478 176.870 -0.448 0.000 1.095 590 L CA 1.178 55.728 54.840 -0.483 0.000 0.770 590 L CB -0.283 41.214 42.059 -0.936 0.000 0.914 590 L HN 0.766 nan 8.230 nan 0.000 0.439 591 Y N -2.353 117.936 120.300 -0.019 0.000 2.423 591 Y HA 0.330 4.907 4.550 0.044 0.000 0.257 591 Y C 2.199 178.113 175.900 0.024 0.000 1.087 591 Y CA -0.134 58.005 58.100 0.065 0.000 1.258 591 Y CB -0.498 38.045 38.460 0.138 0.000 1.237 591 Y HN -0.049 nan 8.280 nan 0.000 0.517 592 A N 0.854 123.693 122.820 0.033 0.000 1.927 592 A HA -0.150 4.196 4.320 0.044 0.000 0.220 592 A C 0.969 178.585 177.584 0.054 0.000 1.185 592 A CA 1.356 53.385 52.037 -0.013 0.000 0.639 592 A CB -0.921 18.020 19.000 -0.099 0.000 0.820 592 A HN 0.319 nan 8.150 nan 0.000 0.451 593 I N 1.000 121.610 120.570 0.067 0.000 2.337 593 I HA 0.237 4.434 4.170 0.044 0.000 0.285 593 I C -2.432 173.761 176.117 0.126 0.000 1.041 593 I CA -2.170 59.179 61.300 0.082 0.000 1.199 593 I CB 1.389 39.424 38.000 0.060 0.000 1.370 593 I HN 0.007 nan 8.210 nan 0.000 0.470 594 P HA -0.055 nan 4.420 nan 0.000 0.261 594 P C -0.421 176.964 177.300 0.141 0.000 1.165 594 P CA 0.398 63.605 63.100 0.178 0.000 0.759 594 P CB 0.329 32.116 31.700 0.145 0.000 0.772 595 D N 1.059 121.551 120.400 0.153 0.000 2.822 595 D HA 0.139 4.806 4.640 0.044 0.000 0.327 595 D C 0.535 176.901 176.300 0.109 0.000 1.577 595 D CA -0.490 53.578 54.000 0.113 0.000 0.785 595 D CB -0.495 40.366 40.800 0.100 0.000 1.199 595 D HN 0.320 nan 8.370 nan 0.000 0.443 596 G N -0.012 108.865 108.800 0.128 0.000 2.554 596 G HA2 0.362 4.349 3.960 0.044 0.000 0.238 596 G HA3 0.362 4.349 3.960 0.044 0.000 0.238 596 G C -0.638 174.305 174.900 0.071 0.000 1.259 596 G CA -0.020 45.148 45.100 0.112 0.000 0.843 596 G HN 0.204 nan 8.290 nan 0.000 0.582 597 D N -0.243 120.190 120.400 0.055 0.000 2.936 597 D HA 0.220 4.887 4.640 0.044 0.000 0.238 597 D C 0.835 177.149 176.300 0.024 0.000 1.248 597 D CA -0.469 53.549 54.000 0.031 0.000 0.903 597 D CB 1.903 42.715 40.800 0.019 0.000 1.544 597 D HN 0.354 nan 8.370 nan 0.000 0.543 598 V N 1.609 121.530 119.914 0.011 0.000 3.506 598 V HA 0.279 4.426 4.120 0.044 0.000 0.263 598 V C 0.991 177.068 176.094 -0.028 0.000 1.203 598 V CA 0.144 62.445 62.300 0.002 0.000 1.133 598 V CB -0.636 31.184 31.823 -0.005 0.000 0.802 598 V HN 0.410 nan 8.190 nan 0.000 0.459 599 K N 1.282 121.659 120.400 -0.039 0.000 2.447 599 K HA 0.382 4.728 4.320 0.044 0.000 0.281 599 K C 1.276 177.839 176.600 -0.062 0.000 1.031 599 K CA 1.078 57.320 56.287 -0.074 0.000 1.019 599 K CB 0.135 32.598 32.500 -0.062 0.000 0.918 599 K HN 0.708 nan 8.250 nan 0.000 0.476 600 G N 3.190 111.924 108.800 -0.109 0.000 2.195 600 G HA2 -0.219 3.767 3.960 0.044 0.000 0.246 600 G HA3 -0.219 3.767 3.960 0.044 0.000 0.246 600 G C 0.121 175.071 174.900 0.083 0.000 0.984 600 G CA -0.220 44.890 45.100 0.016 0.000 0.633 600 G HN 0.557 nan 8.290 nan 0.000 0.525 601 R N -0.183 120.333 120.500 0.026 0.000 2.652 601 R HA 0.647 5.014 4.340 0.044 0.000 0.271 601 R C 0.273 176.634 176.300 0.102 0.000 1.129 601 R CA 0.030 56.176 56.100 0.077 0.000 1.200 601 R CB 0.694 31.028 30.300 0.056 0.000 1.146 601 R HN 0.413 nan 8.270 nan 0.000 0.581 602 V N 0.235 120.224 119.914 0.125 0.000 2.789 602 V HA 0.435 4.581 4.120 0.044 0.000 0.311 602 V C -0.291 175.868 176.094 0.108 0.000 1.073 602 V CA -0.958 61.428 62.300 0.144 0.000 0.921 602 V CB 2.344 34.269 31.823 0.171 0.000 1.009 602 V HN 0.352 nan 8.190 nan 0.000 0.426 603 V N 2.292 122.264 119.914 0.097 0.000 2.555 603 V HA 0.814 4.960 4.120 0.044 0.000 0.302 603 V C 0.364 176.513 176.094 0.092 0.000 1.038 603 V CA -0.508 61.839 62.300 0.078 0.000 0.887 603 V CB 1.987 33.840 31.823 0.051 0.000 0.991 603 V HN 1.106 nan 8.190 nan 0.000 0.434 604 A N 5.937 128.818 122.820 0.101 0.000 2.309 604 A HA 0.808 5.155 4.320 0.044 0.000 0.298 604 A C -0.517 177.078 177.584 0.018 0.000 1.165 604 A CA -0.323 51.759 52.037 0.076 0.000 0.821 604 A CB 0.191 19.260 19.000 0.114 0.000 1.102 604 A HN 0.754 nan 8.150 nan 0.000 0.500 605 I N 3.181 123.755 120.570 0.007 0.000 2.382 605 I HA 0.185 4.381 4.170 0.044 0.000 0.286 605 I C -1.083 175.037 176.117 0.004 0.000 1.002 605 I CA -0.727 60.577 61.300 0.007 0.000 1.135 605 I CB 1.548 39.565 38.000 0.029 0.000 1.288 605 I HN 0.335 nan 8.210 nan 0.000 0.448 606 L N 7.558 128.772 121.223 -0.016 0.000 2.268 606 L HA 0.402 4.768 4.340 0.044 0.000 0.289 606 L C 0.163 177.126 176.870 0.156 0.000 1.064 606 L CA 0.089 54.971 54.840 0.070 0.000 0.824 606 L CB 0.291 42.250 42.059 -0.167 0.000 1.202 606 L HN 0.436 nan 8.230 nan 0.000 0.433 607 L N 3.399 124.765 121.223 0.239 0.000 2.479 607 L HA 0.442 4.808 4.340 0.044 0.000 0.249 607 L C 0.295 177.322 176.870 0.262 0.000 1.178 607 L CA -0.573 54.354 54.840 0.146 0.000 0.811 607 L CB 0.783 42.834 42.059 -0.014 0.000 1.187 607 L HN 0.754 nan 8.230 nan 0.000 0.480 608 N N -2.356 116.396 118.700 0.087 0.000 2.902 608 N HA 0.221 4.987 4.740 0.044 0.000 0.268 608 N C -0.485 174.965 175.510 -0.100 0.000 1.450 608 N CA -0.684 52.457 53.050 0.152 0.000 0.819 608 N CB 0.619 39.214 38.487 0.179 0.000 1.540 608 N HN 0.520 nan 8.380 nan 0.000 0.545 609 D N -1.926 118.465 120.400 -0.015 0.000 2.355 609 D HA -0.009 4.657 4.640 0.044 0.000 0.218 609 D C -0.309 175.952 176.300 -0.066 0.000 1.004 609 D CA 0.644 54.583 54.000 -0.101 0.000 0.880 609 D CB 0.012 40.828 40.800 0.027 0.000 0.911 609 D HN 0.749 nan 8.370 nan 0.000 0.528 610 E N 0.560 120.741 120.200 -0.033 0.000 3.544 610 E HA 0.250 4.627 4.350 0.044 0.000 0.264 610 E C -1.337 175.249 176.600 -0.022 0.000 1.225 610 E CA -0.442 55.942 56.400 -0.028 0.000 1.045 610 E CB 0.724 30.418 29.700 -0.010 0.000 1.338 610 E HN -0.137 nan 8.360 nan 0.000 0.395 611 V N 2.468 122.359 119.914 -0.037 0.000 2.655 611 V HA 0.097 4.244 4.120 0.044 0.000 0.300 611 V C 0.883 176.960 176.094 -0.028 0.000 1.044 611 V CA 0.099 62.383 62.300 -0.027 0.000 1.095 611 V CB 0.944 32.744 31.823 -0.039 0.000 0.952 611 V HN 0.529 nan 8.190 nan 0.000 0.485 612 R N 3.198 123.683 120.500 -0.025 0.000 2.345 612 R HA 0.056 4.423 4.340 0.044 0.000 0.331 612 R C 1.509 177.788 176.300 -0.036 0.000 1.067 612 R CA 0.462 56.542 56.100 -0.032 0.000 0.962 612 R CB 0.560 30.837 30.300 -0.038 0.000 0.987 612 R HN 1.003 nan 8.270 nan 0.000 0.451 613 S N 2.816 118.497 115.700 -0.032 0.000 2.423 613 S HA -0.160 4.336 4.470 0.044 0.000 0.231 613 S C 1.922 176.503 174.600 -0.031 0.000 1.014 613 S CA 0.804 58.986 58.200 -0.030 0.000 0.965 613 S CB 0.064 63.248 63.200 -0.027 0.000 0.785 613 S HN 0.650 nan 8.310 nan 0.000 0.495 614 A N 2.371 125.170 122.820 -0.036 0.000 1.902 614 A HA -0.108 4.239 4.320 0.044 0.000 0.217 614 A C 1.956 179.509 177.584 -0.052 0.000 1.181 614 A CA 1.682 53.696 52.037 -0.039 0.000 0.623 614 A CB -1.024 17.952 19.000 -0.041 0.000 0.818 614 A HN 0.447 nan 8.150 nan 0.000 0.443 615 D N -0.200 120.158 120.400 -0.070 0.000 2.133 615 D HA -0.166 4.501 4.640 0.044 0.000 0.192 615 D C 1.856 178.122 176.300 -0.057 0.000 1.001 615 D CA 1.111 55.052 54.000 -0.097 0.000 0.844 615 D CB -0.285 40.449 40.800 -0.110 0.000 0.944 615 D HN 0.370 nan 8.370 nan 0.000 0.447 616 L N -0.181 121.021 121.223 -0.035 0.000 2.072 616 L HA -0.137 4.230 4.340 0.044 0.000 0.205 616 L C 2.139 179.005 176.870 -0.007 0.000 1.079 616 L CA 0.500 55.331 54.840 -0.014 0.000 0.752 616 L CB -0.130 41.920 42.059 -0.014 0.000 0.906 616 L HN 0.094 nan 8.230 nan 0.000 0.436 617 L N 0.163 121.378 121.223 -0.012 0.000 2.013 617 L HA -0.224 4.142 4.340 0.044 0.000 0.212 617 L C 2.799 179.668 176.870 -0.001 0.000 1.073 617 L CA 2.206 57.042 54.840 -0.007 0.000 0.753 617 L CB -1.291 40.761 42.059 -0.011 0.000 0.890 617 L HN 0.238 nan 8.230 nan 0.000 0.432 618 A N -0.867 121.948 122.820 -0.007 0.000 1.898 618 A HA -0.167 4.180 4.320 0.044 0.000 0.216 618 A C 2.313 179.914 177.584 0.028 0.000 1.181 618 A CA 1.703 53.742 52.037 0.003 0.000 0.620 618 A CB -0.653 18.338 19.000 -0.015 0.000 0.819 618 A HN 0.393 nan 8.150 nan 0.000 0.442 619 I N -0.170 120.421 120.570 0.034 0.000 2.099 619 I HA -0.281 3.915 4.170 0.044 0.000 0.239 619 I C 2.369 178.514 176.117 0.047 0.000 1.066 619 I CA 1.387 62.727 61.300 0.068 0.000 1.324 619 I CB -0.380 37.665 38.000 0.075 0.000 1.037 619 I HN 0.278 nan 8.210 nan 0.000 0.401 620 L N 0.519 121.761 121.223 0.031 0.000 2.141 620 L HA -0.208 4.158 4.340 0.044 0.000 0.209 620 L C 2.614 179.495 176.870 0.018 0.000 1.094 620 L CA 1.286 56.141 54.840 0.025 0.000 0.763 620 L CB -0.676 41.395 42.059 0.020 0.000 0.908 620 L HN 0.313 nan 8.230 nan 0.000 0.437 621 K N 0.893 121.303 120.400 0.017 0.000 2.057 621 K HA -0.141 4.206 4.320 0.044 0.000 0.206 621 K C 2.140 178.747 176.600 0.012 0.000 1.050 621 K CA 1.262 57.556 56.287 0.012 0.000 0.935 621 K CB -0.013 32.492 32.500 0.010 0.000 0.715 621 K HN 0.219 nan 8.250 nan 0.000 0.439 622 A N 1.535 124.367 122.820 0.021 0.000 1.930 622 A HA -0.051 4.296 4.320 0.044 0.000 0.217 622 A C 2.128 179.716 177.584 0.007 0.000 1.175 622 A CA 0.984 53.033 52.037 0.020 0.000 0.627 622 A CB -0.446 18.578 19.000 0.040 0.000 0.815 622 A HN 0.299 nan 8.150 nan 0.000 0.443 623 L N -0.665 120.563 121.223 0.008 0.000 2.005 623 L HA -0.172 4.194 4.340 0.044 0.000 0.207 623 L C 2.649 179.498 176.870 -0.035 0.000 1.072 623 L CA 1.709 56.542 54.840 -0.012 0.000 0.744 623 L CB -0.567 41.492 42.059 0.001 0.000 0.895 623 L HN 0.389 nan 8.230 nan 0.000 0.433 624 K N 0.747 121.135 120.400 -0.021 0.000 2.077 624 K HA -0.278 4.068 4.320 0.044 0.000 0.213 624 K C 2.008 178.589 176.600 -0.032 0.000 1.051 624 K CA 1.962 58.233 56.287 -0.026 0.000 0.929 624 K CB -0.182 32.315 32.500 -0.005 0.000 0.715 624 K HN 0.313 nan 8.250 nan 0.000 0.451 625 A N 0.922 123.731 122.820 -0.019 0.000 2.024 625 A HA -0.128 4.218 4.320 0.044 0.000 0.220 625 A C 1.668 179.236 177.584 -0.027 0.000 1.164 625 A CA 1.470 53.496 52.037 -0.017 0.000 0.643 625 A CB -0.090 18.906 19.000 -0.007 0.000 0.806 625 A HN 0.192 nan 8.150 nan 0.000 0.451 626 K N -1.653 118.724 120.400 -0.038 0.000 2.358 626 K HA 0.232 4.578 4.320 0.044 0.000 0.200 626 K C 0.937 177.489 176.600 -0.080 0.000 1.030 626 K CA 0.591 56.850 56.287 -0.046 0.000 1.097 626 K CB 0.084 32.562 32.500 -0.036 0.000 0.862 626 K HN 0.732 nan 8.250 nan 0.000 0.534 627 G N 1.482 110.217 108.800 -0.108 0.000 2.176 627 G HA2 -0.230 3.757 3.960 0.044 0.000 0.252 627 G HA3 -0.230 3.757 3.960 0.044 0.000 0.252 627 G C 0.038 174.742 174.900 -0.326 0.000 1.024 627 G CA 0.267 45.258 45.100 -0.183 0.000 0.755 627 G HN 0.098 nan 8.290 nan 0.000 0.507 628 V N 0.785 120.547 119.914 -0.254 0.000 2.439 628 V HA 0.528 4.675 4.120 0.044 0.000 0.282 628 V C 0.801 176.718 176.094 -0.295 0.000 1.039 628 V CA -0.796 61.347 62.300 -0.261 0.000 0.913 628 V CB 1.107 32.870 31.823 -0.100 0.000 0.983 628 V HN 0.454 nan 8.190 nan 0.000 0.460 629 H N 1.763 120.841 119.070 0.014 0.000 2.505 629 H HA 0.801 5.384 4.556 0.045 0.000 0.358 629 H C 0.177 175.522 175.328 0.028 0.000 1.304 629 H CA 0.064 56.122 56.048 0.018 0.000 1.393 629 H CB 1.103 30.876 29.762 0.018 0.000 1.591 629 H HN 0.867 nan 8.280 nan 0.000 0.595 630 A N 0.780 123.708 122.820 0.180 0.000 2.486 630 A HA 0.521 4.867 4.320 0.044 0.000 0.300 630 A C -1.218 176.422 177.584 0.093 0.000 1.048 630 A CA -1.028 51.073 52.037 0.107 0.000 0.696 630 A CB 1.237 20.283 19.000 0.076 0.000 1.278 630 A HN 0.775 nan 8.150 nan 0.000 0.405 631 K N 2.517 122.965 120.400 0.079 0.000 2.426 631 K HA 0.709 5.056 4.320 0.044 0.000 0.254 631 K C -1.605 175.020 176.600 0.043 0.000 0.936 631 K CA -0.556 55.767 56.287 0.061 0.000 0.801 631 K CB 1.457 34.001 32.500 0.073 0.000 1.139 631 K HN 0.527 nan 8.250 nan 0.000 0.424 632 L N 4.200 125.439 121.223 0.026 0.000 2.265 632 L HA 0.358 4.724 4.340 0.044 0.000 0.288 632 L C -0.774 176.096 176.870 0.001 0.000 1.058 632 L CA -1.122 53.726 54.840 0.014 0.000 0.809 632 L CB 0.547 42.607 42.059 0.001 0.000 1.179 632 L HN 0.489 nan 8.230 nan 0.000 0.429 633 L N 4.214 125.440 121.223 0.005 0.000 2.346 633 L HA 0.603 4.969 4.340 0.044 0.000 0.274 633 L C -0.525 176.274 176.870 -0.119 0.000 1.007 633 L CA -0.349 54.452 54.840 -0.066 0.000 0.818 633 L CB 1.671 43.719 42.059 -0.019 0.000 1.284 633 L HN 0.359 nan 8.230 nan 0.000 0.424 634 Y N -0.280 119.631 120.300 -0.648 0.000 2.974 634 Y HA 0.337 4.913 4.550 0.044 0.000 0.310 634 Y C 0.939 176.075 175.900 -1.273 0.000 1.551 634 Y CA -0.425 57.171 58.100 -0.841 0.000 1.084 634 Y CB 1.383 39.657 38.460 -0.311 0.000 1.446 634 Y HN 0.540 nan 8.280 nan 0.000 0.472 635 S N 0.614 115.426 115.700 -1.481 0.000 2.575 635 S HA 0.307 4.804 4.470 0.044 0.000 0.215 635 S C -0.070 174.247 174.600 -0.472 0.000 0.966 635 S CA 0.184 57.857 58.200 -0.878 0.000 0.911 635 S CB -0.174 62.645 63.200 -0.634 0.000 0.780 635 S HN 0.605 nan 8.310 nan 0.000 0.514 636 R N -1.382 118.914 120.500 -0.341 0.000 2.747 636 R HA 0.599 4.965 4.340 0.044 0.000 0.272 636 R C -1.027 175.259 176.300 -0.022 0.000 1.032 636 R CA -1.110 54.922 56.100 -0.113 0.000 0.896 636 R CB 0.393 30.669 30.300 -0.039 0.000 1.253 636 R HN -0.062 nan 8.270 nan 0.000 0.461 637 M N 0.088 119.682 119.600 -0.010 0.000 2.219 637 M HA 0.543 5.050 4.480 0.044 0.000 0.280 637 M C 0.996 177.310 176.300 0.024 0.000 1.189 637 M CA 0.946 56.247 55.300 0.002 0.000 1.010 637 M CB 0.679 33.273 32.600 -0.009 0.000 1.422 637 M HN 1.044 nan 8.290 nan 0.000 0.504 638 G N 1.013 109.819 108.800 0.010 0.000 2.715 638 G HA2 -0.103 3.883 3.960 0.044 0.000 0.221 638 G HA3 -0.103 3.883 3.960 0.044 0.000 0.221 638 G C -1.136 173.758 174.900 -0.009 0.000 1.204 638 G CA -0.152 44.951 45.100 0.005 0.000 1.063 638 G HN 0.753 nan 8.290 nan 0.000 0.586 639 E N -0.834 119.354 120.200 -0.020 0.000 2.390 639 E HA 0.638 5.014 4.350 0.044 0.000 0.277 639 E C -0.499 176.043 176.600 -0.096 0.000 0.939 639 E CA -0.762 55.606 56.400 -0.054 0.000 0.769 639 E CB 2.744 32.420 29.700 -0.041 0.000 1.251 639 E HN 1.486 nan 8.360 nan 0.000 0.450 640 V N -1.749 118.069 119.914 -0.160 0.000 3.019 640 V HA 0.771 4.917 4.120 0.044 0.000 0.317 640 V C -0.510 175.507 176.094 -0.129 0.000 1.094 640 V CA -0.633 61.545 62.300 -0.203 0.000 1.000 640 V CB 1.851 33.428 31.823 -0.409 0.000 1.060 640 V HN 0.747 nan 8.190 nan 0.000 0.443 641 T N 2.430 116.921 114.554 -0.106 0.000 2.779 641 T HA 0.773 5.149 4.350 0.044 0.000 0.280 641 T C 0.276 174.936 174.700 -0.067 0.000 0.987 641 T CA 0.225 62.283 62.100 -0.070 0.000 0.966 641 T CB 1.233 70.072 68.868 -0.048 0.000 0.933 641 T HN 1.365 nan 8.240 nan 0.000 0.442 642 A N 2.507 125.293 122.820 -0.056 0.000 2.386 642 A HA 0.293 4.640 4.320 0.044 0.000 0.246 642 A C 1.642 179.205 177.584 -0.035 0.000 1.089 642 A CA -0.269 51.740 52.037 -0.047 0.000 0.790 642 A CB -0.006 18.970 19.000 -0.040 0.000 1.042 642 A HN 0.947 nan 8.150 nan 0.000 0.497 643 D N 0.324 120.706 120.400 -0.030 0.000 2.220 643 D HA -0.239 4.427 4.640 0.044 0.000 0.198 643 D C 0.584 176.871 176.300 -0.022 0.000 1.001 643 D CA 1.921 55.907 54.000 -0.024 0.000 0.875 643 D CB -0.247 40.540 40.800 -0.022 0.000 0.921 643 D HN 0.644 nan 8.370 nan 0.000 0.454 644 D N -2.173 118.213 120.400 -0.023 0.000 2.440 644 D HA 0.251 4.917 4.640 0.044 0.000 0.216 644 D C 1.570 177.858 176.300 -0.019 0.000 1.150 644 D CA 0.248 54.236 54.000 -0.020 0.000 0.832 644 D CB 0.087 40.876 40.800 -0.019 0.000 0.992 644 D HN 0.382 nan 8.370 nan 0.000 0.502 645 G N 0.208 108.995 108.800 -0.022 0.000 2.195 645 G HA2 -0.267 3.720 3.960 0.044 0.000 0.246 645 G HA3 -0.267 3.720 3.960 0.044 0.000 0.246 645 G C 0.432 175.318 174.900 -0.023 0.000 0.984 645 G CA 0.182 45.269 45.100 -0.022 0.000 0.633 645 G HN 0.421 nan 8.290 nan 0.000 0.525 646 T N 1.425 115.965 114.554 -0.025 0.000 2.867 646 T HA 0.401 4.777 4.350 0.044 0.000 0.297 646 T C 0.557 175.237 174.700 -0.033 0.000 0.989 646 T CA 0.166 62.251 62.100 -0.026 0.000 1.159 646 T CB 2.196 71.049 68.868 -0.025 0.000 0.928 646 T HN 0.454 nan 8.240 nan 0.000 0.538 647 V N 5.273 125.168 119.914 -0.031 0.000 2.432 647 V HA 0.275 4.421 4.120 0.044 0.000 0.275 647 V C -0.225 175.846 176.094 -0.040 0.000 1.043 647 V CA -0.770 61.507 62.300 -0.037 0.000 0.925 647 V CB 1.156 32.962 31.823 -0.028 0.000 0.985 647 V HN 0.564 nan 8.190 nan 0.000 0.466 648 L N 8.844 130.034 121.223 -0.056 0.000 2.298 648 L HA 0.548 4.914 4.340 0.044 0.000 0.284 648 L C -2.155 174.682 176.870 -0.055 0.000 1.013 648 L CA -2.413 52.394 54.840 -0.055 0.000 0.824 648 L CB 1.622 43.636 42.059 -0.075 0.000 1.221 648 L HN 0.425 nan 8.230 nan 0.000 0.418 649 P HA 0.285 nan 4.420 nan 0.000 0.279 649 P C -0.456 176.827 177.300 -0.028 0.000 1.239 649 P CA -0.279 62.805 63.100 -0.028 0.000 0.789 649 P CB 1.310 33.001 31.700 -0.015 0.000 0.933 650 I N 2.186 122.741 120.570 -0.025 0.000 2.331 650 I HA 0.228 4.425 4.170 0.044 0.000 0.292 650 I C 1.507 177.617 176.117 -0.012 0.000 0.998 650 I CA -0.430 60.858 61.300 -0.019 0.000 1.267 650 I CB 1.592 39.588 38.000 -0.007 0.000 1.386 650 I HN 0.365 nan 8.210 nan 0.000 0.476 651 A N 5.240 128.056 122.820 -0.008 0.000 1.935 651 A HA 0.607 4.953 4.320 0.044 0.000 0.214 651 A C 0.934 178.517 177.584 -0.002 0.000 1.178 651 A CA 1.105 53.142 52.037 0.000 0.000 0.640 651 A CB 0.075 19.082 19.000 0.013 0.000 0.825 651 A HN 0.788 nan 8.150 nan 0.000 0.447 652 A N -1.852 120.958 122.820 -0.015 0.000 2.601 652 A HA 0.575 4.921 4.320 0.044 0.000 0.291 652 A C -0.088 177.449 177.584 -0.078 0.000 1.075 652 A CA 0.080 52.107 52.037 -0.018 0.000 0.671 652 A CB -0.164 18.851 19.000 0.026 0.000 1.277 652 A HN 0.718 nan 8.150 nan 0.000 0.417 653 T N -1.401 113.099 114.554 -0.090 0.000 2.874 653 T HA 0.545 4.921 4.350 0.044 0.000 0.281 653 T C 0.995 175.628 174.700 -0.111 0.000 0.994 653 T CA 0.000 61.975 62.100 -0.209 0.000 1.015 653 T CB 0.070 68.854 68.868 -0.139 0.000 1.028 653 T HN 0.487 nan 8.240 nan 0.000 0.523 654 F N 0.755 120.720 119.950 0.025 0.000 2.087 654 F HA -0.123 4.431 4.527 0.044 0.000 0.299 654 F C 2.918 178.846 175.800 0.214 0.000 1.100 654 F CA 1.322 59.385 58.000 0.105 0.000 1.226 654 F CB -0.724 38.318 39.000 0.070 0.000 0.983 654 F HN 0.710 nan 8.300 nan 0.000 0.479 655 A N 0.048 123.029 122.820 0.269 0.000 2.016 655 A HA 0.103 4.450 4.320 0.044 0.000 0.217 655 A C 2.389 180.048 177.584 0.126 0.000 1.162 655 A CA 1.290 53.436 52.037 0.182 0.000 0.662 655 A CB -1.263 17.805 19.000 0.114 0.000 0.812 655 A HN 0.398 nan 8.150 nan 0.000 0.450 656 G N -0.953 107.908 108.800 0.102 0.000 2.494 656 G HA2 0.322 4.308 3.960 0.044 0.000 0.216 656 G HA3 0.322 4.308 3.960 0.044 0.000 0.216 656 G C 0.644 175.599 174.900 0.090 0.000 1.140 656 G CA 0.873 46.014 45.100 0.067 0.000 0.801 656 G HN 0.987 nan 8.290 nan 0.000 0.536 657 A N 0.702 123.613 122.820 0.151 0.000 3.030 657 A HA 0.719 5.066 4.320 0.044 0.000 0.335 657 A C -2.708 175.050 177.584 0.290 0.000 1.089 657 A CA -1.092 51.054 52.037 0.181 0.000 0.807 657 A CB 1.219 20.320 19.000 0.168 0.000 1.099 657 A HN 0.085 nan 8.150 nan 0.000 0.474 658 P HA 0.022 nan 4.420 nan 0.000 0.270 658 P C 1.409 178.524 177.300 -0.309 0.000 1.227 658 P CA 0.431 63.490 63.100 -0.067 0.000 0.788 658 P CB 0.760 32.409 31.700 -0.085 0.000 0.926 659 S N 0.552 115.671 115.700 -0.970 0.000 2.419 659 S HA -0.166 4.330 4.470 0.044 0.000 0.235 659 S C 1.779 176.230 174.600 -0.248 0.000 1.019 659 S CA 1.229 59.023 58.200 -0.677 0.000 0.982 659 S CB -1.119 61.634 63.200 -0.745 0.000 0.789 659 S HN 0.185 nan 8.310 nan 0.000 0.490 660 L N 2.726 123.809 121.223 -0.233 0.000 2.137 660 L HA -0.090 4.276 4.340 0.044 0.000 0.213 660 L C 2.809 179.533 176.870 -0.243 0.000 1.085 660 L CA 2.211 56.917 54.840 -0.224 0.000 0.760 660 L CB -1.947 39.963 42.059 -0.249 0.000 0.893 660 L HN 0.785 nan 8.230 nan 0.000 0.434 661 T N -4.054 110.439 114.554 -0.101 0.000 3.107 661 T HA 0.273 4.650 4.350 0.044 0.000 0.249 661 T C 0.374 175.199 174.700 0.208 0.000 1.096 661 T CA 0.359 62.507 62.100 0.081 0.000 1.012 661 T CB -0.398 68.585 68.868 0.193 0.000 0.977 661 T HN 0.066 nan 8.240 nan 0.000 0.527 662 V N -2.840 117.141 119.914 0.111 0.000 3.141 662 V HA 0.572 4.719 4.120 0.044 0.000 0.312 662 V C -0.254 175.890 176.094 0.084 0.000 1.157 662 V CA -0.977 61.405 62.300 0.138 0.000 1.041 662 V CB 2.168 34.087 31.823 0.161 0.000 1.071 662 V HN -0.002 nan 8.190 nan 0.000 0.441 663 D N 0.961 121.412 120.400 0.084 0.000 2.327 663 D HA 0.473 5.139 4.640 0.044 0.000 0.205 663 D C 0.602 176.889 176.300 -0.021 0.000 0.989 663 D CA 1.547 55.570 54.000 0.037 0.000 0.873 663 D CB 1.461 42.304 40.800 0.072 0.000 0.955 663 D HN 0.986 nan 8.370 nan 0.000 0.515 664 A N 0.147 122.971 122.820 0.006 0.000 2.586 664 A HA 0.555 4.902 4.320 0.044 0.000 0.290 664 A C -1.560 176.043 177.584 0.031 0.000 1.086 664 A CA -0.557 51.469 52.037 -0.017 0.000 0.665 664 A CB 1.591 20.566 19.000 -0.041 0.000 1.279 664 A HN -0.101 nan 8.150 nan 0.000 0.423 665 V N 0.840 120.765 119.914 0.017 0.000 2.709 665 V HA 0.606 4.752 4.120 0.044 0.000 0.308 665 V C -0.754 175.340 176.094 0.000 0.000 1.062 665 V CA -0.224 62.097 62.300 0.036 0.000 0.901 665 V CB 1.571 33.434 31.823 0.067 0.000 1.003 665 V HN 0.703 nan 8.190 nan 0.000 0.425 666 I N 3.891 124.467 120.570 0.010 0.000 2.498 666 I HA 0.551 4.748 4.170 0.044 0.000 0.290 666 I C -0.966 175.170 176.117 0.032 0.000 1.032 666 I CA -0.961 60.369 61.300 0.051 0.000 1.073 666 I CB 2.388 40.451 38.000 0.104 0.000 1.251 666 I HN 0.273 nan 8.210 nan 0.000 0.426 667 V N 7.515 127.463 119.914 0.056 0.000 2.326 667 V HA 0.359 4.506 4.120 0.044 0.000 0.281 667 V C -2.029 174.115 176.094 0.084 0.000 1.015 667 V CA -1.402 60.913 62.300 0.025 0.000 0.823 667 V CB 1.306 33.111 31.823 -0.030 0.000 1.009 667 V HN 0.572 nan 8.190 nan 0.000 0.436 671 N N 1.486 120.204 118.700 0.029 0.000 2.895 671 N HA 0.098 4.865 4.740 0.044 0.000 0.277 671 N C 1.001 176.548 175.510 0.061 0.000 1.185 671 N CA -0.603 52.468 53.050 0.036 0.000 1.106 671 N CB 0.030 38.537 38.487 0.034 0.000 1.422 671 N HN 0.263 nan 8.380 nan 0.000 0.521 672 I N 2.058 122.656 120.570 0.047 0.000 2.454 672 I HA -0.194 4.002 4.170 0.044 0.000 0.254 672 I C 2.333 178.466 176.117 0.026 0.000 1.156 672 I CA 0.705 62.041 61.300 0.060 0.000 1.433 672 I CB -1.383 36.624 38.000 0.013 0.000 1.082 672 I HN 0.484 nan 8.210 nan 0.000 0.432 673 A N 0.383 123.207 122.820 0.007 0.000 2.121 673 A HA -0.231 4.115 4.320 0.044 0.000 0.218 673 A C 2.042 179.647 177.584 0.035 0.000 1.154 673 A CA 1.660 53.693 52.037 -0.007 0.000 0.679 673 A CB -0.565 18.430 19.000 -0.009 0.000 0.795 673 A HN 0.415 nan 8.150 nan 0.000 0.458 674 D N 0.711 121.160 120.400 0.081 0.000 2.117 674 D HA -0.148 4.519 4.640 0.044 0.000 0.197 674 D C 1.598 177.988 176.300 0.149 0.000 0.987 674 D CA 1.800 55.877 54.000 0.128 0.000 0.829 674 D CB -0.194 40.718 40.800 0.185 0.000 0.961 674 D HN 0.617 nan 8.370 nan 0.000 0.460 675 I N -3.529 117.151 120.570 0.183 0.000 4.057 675 I HA 0.466 4.662 4.170 0.044 0.000 0.334 675 I C 1.903 178.147 176.117 0.212 0.000 1.308 675 I CA 0.006 61.436 61.300 0.217 0.000 1.125 675 I CB 0.095 38.269 38.000 0.290 0.000 1.034 675 I HN -0.079 nan 8.210 nan 0.000 0.401 676 A N 1.578 124.435 122.820 0.060 0.000 2.024 676 A HA -0.167 4.179 4.320 0.044 0.000 0.220 676 A C 1.550 179.092 177.584 -0.070 0.000 1.164 676 A CA 2.007 53.940 52.037 -0.174 0.000 0.643 676 A CB -0.432 18.413 19.000 -0.260 0.000 0.806 676 A HN 0.523 nan 8.150 nan 0.000 0.451 677 D N -0.878 119.523 120.400 0.002 0.000 2.440 677 D HA 0.035 4.701 4.640 0.044 0.000 0.216 677 D C -0.038 176.289 176.300 0.045 0.000 1.150 677 D CA -0.228 53.781 54.000 0.014 0.000 0.832 677 D CB -0.193 40.606 40.800 -0.002 0.000 0.992 677 D HN 0.331 nan 8.370 nan 0.000 0.502 678 N N 1.209 119.953 118.700 0.073 0.000 2.452 678 N HA 0.007 4.773 4.740 0.044 0.000 0.266 678 N C 1.377 176.925 175.510 0.064 0.000 1.175 678 N CA 0.168 53.261 53.050 0.072 0.000 0.945 678 N CB 1.448 39.991 38.487 0.094 0.000 1.063 678 N HN 0.013 nan 8.380 nan 0.000 0.472 679 G N 3.412 112.248 108.800 0.060 0.000 2.446 679 G HA2 -0.265 3.721 3.960 0.044 0.000 0.217 679 G HA3 -0.265 3.721 3.960 0.044 0.000 0.217 679 G C 0.959 175.912 174.900 0.089 0.000 1.168 679 G CA 0.564 45.702 45.100 0.063 0.000 0.771 679 G HN 0.606 nan 8.290 nan 0.000 0.551 680 D N 0.878 121.337 120.400 0.098 0.000 2.117 680 D HA -0.012 4.655 4.640 0.044 0.000 0.197 680 D C 2.793 179.092 176.300 -0.000 0.000 0.987 680 D CA 1.237 55.327 54.000 0.150 0.000 0.829 680 D CB -0.431 40.528 40.800 0.265 0.000 0.961 680 D HN 0.310 nan 8.370 nan 0.000 0.460 681 A N 0.891 123.548 122.820 -0.272 0.000 1.898 681 A HA -0.169 4.178 4.320 0.044 0.000 0.216 681 A C 2.007 179.391 177.584 -0.333 0.000 1.181 681 A CA 1.172 52.799 52.037 -0.683 0.000 0.620 681 A CB -0.439 18.058 19.000 -0.837 0.000 0.819 681 A HN 0.154 nan 8.150 nan 0.000 0.442 682 N N -1.427 117.241 118.700 -0.053 0.000 2.084 682 N HA -0.193 4.574 4.740 0.044 0.000 0.190 682 N C 1.712 177.233 175.510 0.019 0.000 1.030 682 N CA 1.839 54.920 53.050 0.051 0.000 0.849 682 N CB -0.454 38.126 38.487 0.155 0.000 1.012 682 N HN 0.698 nan 8.380 nan 0.000 0.423 683 Y N 0.520 120.796 120.300 -0.040 0.000 2.293 683 Y HA -0.251 4.325 4.550 0.044 0.000 0.291 683 Y C 2.412 178.280 175.900 -0.054 0.000 1.137 683 Y CA 1.115 59.190 58.100 -0.042 0.000 1.202 683 Y CB -0.316 38.125 38.460 -0.031 0.000 0.990 683 Y HN 0.017 nan 8.280 nan 0.000 0.537 684 Y N -0.185 119.981 120.300 -0.225 0.000 2.114 684 Y HA -0.335 4.242 4.550 0.044 0.000 0.282 684 Y C 2.107 177.807 175.900 -0.333 0.000 1.165 684 Y CA 1.778 59.715 58.100 -0.271 0.000 1.148 684 Y CB -0.502 37.810 38.460 -0.246 0.000 0.972 684 Y HN 0.135 nan 8.280 nan 0.000 0.504 685 L N -0.460 120.698 121.223 -0.109 0.000 2.083 685 L HA -0.255 4.112 4.340 0.044 0.000 0.209 685 L C 2.320 179.080 176.870 -0.184 0.000 1.083 685 L CA 1.790 56.543 54.840 -0.145 0.000 0.752 685 L CB -1.286 40.651 42.059 -0.204 0.000 0.899 685 L HN 0.375 nan 8.230 nan 0.000 0.433 686 M N -1.230 118.211 119.600 -0.266 0.000 2.175 686 M HA -0.206 4.300 4.480 0.044 0.000 0.264 686 M C 2.158 178.218 176.300 -0.398 0.000 1.063 686 M CA 1.457 56.597 55.300 -0.267 0.000 1.119 686 M CB -0.345 32.118 32.600 -0.228 0.000 1.377 686 M HN 0.247 nan 8.290 nan 0.000 0.415 687 E N 0.680 120.447 120.200 -0.722 0.000 2.028 687 E HA -0.183 4.193 4.350 0.044 0.000 0.191 687 E C 2.032 178.274 176.600 -0.597 0.000 0.988 687 E CA 1.327 57.255 56.400 -0.787 0.000 0.799 687 E CB 0.005 29.178 29.700 -0.878 0.000 0.755 687 E HN 0.459 nan 8.360 nan 0.000 0.447 688 A N 0.333 122.919 122.820 -0.390 0.000 1.908 688 A HA -0.218 4.129 4.320 0.044 0.000 0.218 688 A C 2.052 179.536 177.584 -0.168 0.000 1.181 688 A CA 1.551 53.454 52.037 -0.223 0.000 0.627 688 A CB -0.957 17.967 19.000 -0.126 0.000 0.818 688 A HN 0.560 nan 8.150 nan 0.000 0.445 689 Y N 0.622 120.767 120.300 -0.259 0.000 2.097 689 Y HA -0.243 4.333 4.550 0.044 0.000 0.282 689 Y C 2.434 178.210 175.900 -0.207 0.000 1.152 689 Y CA 2.420 60.398 58.100 -0.203 0.000 1.136 689 Y CB -0.292 38.065 38.460 -0.171 0.000 0.975 689 Y HN 0.334 nan 8.280 nan 0.000 0.498 690 K N -0.656 119.616 120.400 -0.214 0.000 2.063 690 K HA -0.235 4.111 4.320 0.044 0.000 0.208 690 K C 1.337 177.811 176.600 -0.211 0.000 1.048 690 K CA 2.087 58.219 56.287 -0.259 0.000 0.928 690 K CB -0.518 31.794 32.500 -0.314 0.000 0.713 690 K HN 0.587 nan 8.250 nan 0.000 0.442 691 H N 0.424 119.374 119.070 -0.200 0.000 2.547 691 H HA 0.140 4.723 4.556 0.044 0.000 0.274 691 H C 0.120 175.287 175.328 -0.269 0.000 1.024 691 H CA 0.322 56.249 56.048 -0.203 0.000 1.155 691 H CB 0.023 29.661 29.762 -0.206 0.000 1.344 691 H HN 0.164 nan 8.280 nan 0.000 0.598 692 L N -0.423 120.654 121.223 -0.244 0.000 4.560 692 L HA -0.276 4.091 4.340 0.044 0.000 0.415 692 L C -0.204 176.409 176.870 -0.428 0.000 1.123 692 L CA 0.526 55.132 54.840 -0.390 0.000 0.991 692 L CB -1.687 40.112 42.059 -0.433 0.000 2.127 692 L HN 0.293 nan 8.230 nan 0.000 0.765 693 K N 1.138 121.353 120.400 -0.307 0.000 2.270 693 K HA 0.387 4.733 4.320 0.044 0.000 0.276 693 K C -2.073 174.394 176.600 -0.220 0.000 1.023 693 K CA -1.692 54.435 56.287 -0.265 0.000 0.955 693 K CB 0.493 32.890 32.500 -0.171 0.000 0.975 693 K HN -0.193 nan 8.250 nan 0.000 0.471 694 P HA 0.054 nan 4.420 nan 0.000 0.268 694 P C -0.712 176.522 177.300 -0.111 0.000 1.205 694 P CA 0.385 63.385 63.100 -0.166 0.000 0.771 694 P CB 0.454 32.056 31.700 -0.163 0.000 0.858 695 I N 1.705 122.222 120.570 -0.089 0.000 2.533 695 I HA 0.597 4.794 4.170 0.044 0.000 0.290 695 I C -0.373 175.691 176.117 -0.089 0.000 1.056 695 I CA -0.834 60.431 61.300 -0.059 0.000 1.057 695 I CB 2.170 40.162 38.000 -0.012 0.000 1.240 695 I HN 0.259 nan 8.210 nan 0.000 0.423 696 A N 7.720 130.488 122.820 -0.087 0.000 2.330 696 A HA 0.891 5.237 4.320 0.044 0.000 0.313 696 A C -1.099 176.557 177.584 0.121 0.000 1.124 696 A CA -0.436 51.515 52.037 -0.144 0.000 0.774 696 A CB 1.032 19.767 19.000 -0.441 0.000 1.198 696 A HN 0.671 nan 8.150 nan 0.000 0.465 697 L N 2.112 123.468 121.223 0.223 0.000 2.356 697 L HA 0.735 5.102 4.340 0.044 0.000 0.277 697 L C 0.244 177.331 176.870 0.361 0.000 0.996 697 L CA -0.573 54.427 54.840 0.265 0.000 0.822 697 L CB 2.051 44.210 42.059 0.166 0.000 1.256 697 L HN 0.775 nan 8.230 nan 0.000 0.413 698 A N 2.301 125.237 122.820 0.194 0.000 2.318 698 A HA 0.836 5.183 4.320 0.044 0.000 0.324 698 A C 0.623 178.197 177.584 -0.017 0.000 1.170 698 A CA 0.270 52.279 52.037 -0.047 0.000 0.810 698 A CB 1.140 19.925 19.000 -0.358 0.000 1.198 698 A HN 0.993 nan 8.150 nan 0.000 0.484 699 G N 2.212 110.996 108.800 -0.027 0.000 2.622 699 G HA2 -0.346 3.641 3.960 0.044 0.000 0.307 699 G HA3 -0.346 3.641 3.960 0.044 0.000 0.307 699 G C 0.557 175.462 174.900 0.009 0.000 1.226 699 G CA 0.896 45.985 45.100 -0.018 0.000 0.997 699 G HN 0.680 nan 8.290 nan 0.000 0.551 700 D N 1.270 121.673 120.400 0.004 0.000 2.264 700 D HA 0.202 4.868 4.640 0.044 0.000 0.208 700 D C 2.653 178.969 176.300 0.026 0.000 0.966 700 D CA 1.665 55.666 54.000 0.001 0.000 0.864 700 D CB -0.711 40.082 40.800 -0.012 0.000 0.933 700 D HN 0.828 nan 8.370 nan 0.000 0.499 701 A N 0.676 123.548 122.820 0.087 0.000 2.131 701 A HA -0.206 4.140 4.320 0.044 0.000 0.220 701 A C 2.028 179.741 177.584 0.216 0.000 1.158 701 A CA 0.913 53.081 52.037 0.217 0.000 0.665 701 A CB -0.487 18.643 19.000 0.217 0.000 0.795 701 A HN 0.154 nan 8.150 nan 0.000 0.460 702 R N -0.285 120.281 120.500 0.110 0.000 2.241 702 R HA -0.103 4.263 4.340 0.044 0.000 0.224 702 R C 1.805 178.124 176.300 0.032 0.000 1.101 702 R CA 1.248 57.396 56.100 0.079 0.000 0.995 702 R CB -0.197 30.134 30.300 0.052 0.000 0.870 702 R HN 0.530 nan 8.270 nan 0.000 0.463 703 K N -0.177 120.203 120.400 -0.033 0.000 2.160 703 K HA -0.158 4.189 4.320 0.044 0.000 0.206 703 K C 1.355 177.855 176.600 -0.167 0.000 1.047 703 K CA 1.283 57.485 56.287 -0.140 0.000 0.930 703 K CB -0.130 32.217 32.500 -0.256 0.000 0.720 703 K HN 0.187 nan 8.250 nan 0.000 0.450 704 F N 1.292 121.219 119.950 -0.039 0.000 2.771 704 F HA -0.065 4.489 4.527 0.044 0.000 0.299 704 F C 1.939 177.692 175.800 -0.079 0.000 1.177 704 F CA 0.741 58.706 58.000 -0.058 0.000 1.450 704 F CB 0.052 39.017 39.000 -0.060 0.000 1.114 704 F HN -0.068 nan 8.300 nan 0.000 0.587 705 K N 0.048 120.490 120.400 0.069 0.000 2.211 705 K HA -0.122 4.225 4.320 0.044 0.000 0.203 705 K C 2.308 178.882 176.600 -0.043 0.000 1.050 705 K CA 0.914 57.200 56.287 -0.002 0.000 0.945 705 K CB -0.206 32.289 32.500 -0.008 0.000 0.732 705 K HN 0.251 nan 8.250 nan 0.000 0.451 706 A N 0.369 123.167 122.820 -0.037 0.000 1.930 706 A HA -0.164 4.183 4.320 0.044 0.000 0.217 706 A C 2.191 179.746 177.584 -0.049 0.000 1.175 706 A CA 2.034 54.042 52.037 -0.050 0.000 0.627 706 A CB -0.874 18.092 19.000 -0.056 0.000 0.815 706 A HN 0.286 nan 8.150 nan 0.000 0.443 707 T N 0.239 114.782 114.554 -0.019 0.000 2.833 707 T HA -0.071 4.305 4.350 0.044 0.000 0.269 707 T C 1.373 176.020 174.700 -0.088 0.000 1.054 707 T CA 1.534 63.627 62.100 -0.011 0.000 1.135 707 T CB -0.580 68.335 68.868 0.079 0.000 0.869 707 T HN 0.601 nan 8.240 nan 0.000 0.466 708 I N -2.604 117.860 120.570 -0.178 0.000 3.928 708 I HA 0.469 4.665 4.170 0.044 0.000 0.335 708 I C 0.325 176.205 176.117 -0.395 0.000 1.325 708 I CA -0.439 60.618 61.300 -0.406 0.000 1.107 708 I CB -0.100 37.476 38.000 -0.706 0.000 1.014 708 I HN -0.039 nan 8.210 nan 0.000 0.400 709 K N 1.978 122.259 120.400 -0.198 0.000 3.125 709 K HA -0.081 4.266 4.320 0.044 0.000 0.268 709 K C -0.495 176.035 176.600 -0.116 0.000 1.078 709 K CA 0.366 56.579 56.287 -0.124 0.000 0.775 709 K CB -1.038 31.410 32.500 -0.085 0.000 1.253 709 K HN 0.400 nan 8.250 nan 0.000 0.486 710 I N 0.741 121.239 120.570 -0.121 0.000 2.365 710 I HA 0.334 4.530 4.170 0.044 0.000 0.291 710 I C 1.360 177.455 176.117 -0.037 0.000 1.004 710 I CA -0.611 60.644 61.300 -0.074 0.000 1.311 710 I CB 0.776 38.731 38.000 -0.074 0.000 1.401 710 I HN 0.253 nan 8.210 nan 0.000 0.491 711 A N 4.849 127.659 122.820 -0.017 0.000 2.386 711 A HA 0.116 4.463 4.320 0.044 0.000 0.246 711 A C 0.998 178.578 177.584 -0.007 0.000 1.089 711 A CA -0.184 51.847 52.037 -0.010 0.000 0.790 711 A CB 0.141 19.140 19.000 -0.002 0.000 1.042 711 A HN 0.756 nan 8.150 nan 0.000 0.497 712 D N 0.009 120.406 120.400 -0.006 0.000 2.149 712 D HA -0.189 4.478 4.640 0.044 0.000 0.198 712 D C 2.028 178.329 176.300 0.002 0.000 0.990 712 D CA 2.026 56.025 54.000 -0.003 0.000 0.839 712 D CB -0.160 40.638 40.800 -0.004 0.000 0.948 712 D HN 0.817 nan 8.370 nan 0.000 0.460 713 Q N 0.344 120.146 119.800 0.003 0.000 2.472 713 Q HA 0.168 4.534 4.340 0.044 0.000 0.208 713 Q C 0.834 176.839 176.000 0.007 0.000 0.958 713 Q CA 0.825 56.632 55.803 0.006 0.000 0.932 713 Q CB 0.166 28.907 28.738 0.005 0.000 1.007 713 Q HN 0.109 nan 8.270 nan 0.000 0.508 714 G N 1.279 110.083 108.800 0.006 0.000 2.710 714 G HA2 -0.196 3.790 3.960 0.044 0.000 0.668 714 G HA3 -0.196 3.790 3.960 0.044 0.000 0.668 714 G C -1.224 173.682 174.900 0.010 0.000 1.320 714 G CA -0.266 44.838 45.100 0.008 0.000 0.860 714 G HN 0.608 nan 8.290 nan 0.000 0.538 715 E N -0.724 119.483 120.200 0.012 0.000 2.390 715 E HA 0.574 4.950 4.350 0.044 0.000 0.277 715 E C -0.701 175.899 176.600 -0.001 0.000 0.939 715 E CA -1.063 55.346 56.400 0.014 0.000 0.769 715 E CB 1.550 31.273 29.700 0.038 0.000 1.251 715 E HN 0.385 nan 8.360 nan 0.000 0.450 716 E N 0.949 121.141 120.200 -0.013 0.000 2.585 716 E HA 0.164 4.540 4.350 0.044 0.000 0.252 716 E C 0.772 177.338 176.600 -0.056 0.000 0.981 716 E CA 1.702 58.080 56.400 -0.037 0.000 0.943 716 E CB 0.823 30.499 29.700 -0.040 0.000 0.923 716 E HN 0.923 nan 8.360 nan 0.000 0.486 717 G N 3.122 111.877 108.800 -0.075 0.000 2.211 717 G HA2 -0.182 3.804 3.960 0.044 0.000 0.201 717 G HA3 -0.182 3.804 3.960 0.044 0.000 0.201 717 G C 0.100 174.955 174.900 -0.075 0.000 0.997 717 G CA -0.456 44.581 45.100 -0.105 0.000 0.652 717 G HN 0.411 nan 8.290 nan 0.000 0.500 718 I N 2.177 122.721 120.570 -0.042 0.000 2.420 718 I HA 0.453 4.649 4.170 0.044 0.000 0.282 718 I C 0.278 176.358 176.117 -0.063 0.000 1.019 718 I CA -0.988 60.293 61.300 -0.031 0.000 1.130 718 I CB 1.339 39.349 38.000 0.016 0.000 1.262 718 I HN -0.117 nan 8.210 nan 0.000 0.454 719 V N 7.521 127.357 119.914 -0.130 0.000 2.465 719 V HA 0.385 4.532 4.120 0.044 0.000 0.279 719 V C 0.266 176.297 176.094 -0.105 0.000 1.045 719 V CA -0.310 61.868 62.300 -0.203 0.000 0.938 719 V CB 1.361 32.911 31.823 -0.455 0.000 0.986 719 V HN 0.861 nan 8.190 nan 0.000 0.467 720 E N 4.316 124.536 120.200 0.034 0.000 2.390 720 E HA 0.898 5.274 4.350 0.044 0.000 0.277 720 E C -1.058 175.691 176.600 0.249 0.000 0.939 720 E CA -1.048 55.471 56.400 0.199 0.000 0.769 720 E CB 2.604 32.371 29.700 0.111 0.000 1.251 720 E HN 0.829 nan 8.360 nan 0.000 0.450 721 A N 1.376 124.350 122.820 0.258 0.000 2.549 721 A HA 0.315 4.661 4.320 0.044 0.000 0.291 721 A C -0.621 176.985 177.584 0.037 0.000 1.034 721 A CA -0.554 51.576 52.037 0.155 0.000 0.655 721 A CB 1.013 20.155 19.000 0.237 0.000 1.299 721 A HN 0.604 nan 8.150 nan 0.000 0.427 722 D N 0.615 121.015 120.400 -0.001 0.000 2.182 722 D HA 0.018 4.685 4.640 0.044 0.000 0.201 722 D C 1.080 177.321 176.300 -0.098 0.000 0.986 722 D CA 2.421 56.400 54.000 -0.036 0.000 0.847 722 D CB 0.032 40.817 40.800 -0.026 0.000 0.942 722 D HN 0.895 nan 8.370 nan 0.000 0.467 723 S N -1.589 114.014 115.700 -0.162 0.000 2.579 723 S HA 0.664 5.161 4.470 0.044 0.000 0.272 723 S C -0.879 173.410 174.600 -0.519 0.000 1.141 723 S CA -0.879 57.162 58.200 -0.266 0.000 0.843 723 S CB 2.180 65.284 63.200 -0.161 0.000 1.122 723 S HN 0.040 nan 8.310 nan 0.000 0.468 724 A N 2.206 124.606 122.820 -0.699 0.000 2.666 724 A HA 0.531 4.877 4.320 0.044 0.000 0.301 724 A C 0.116 177.534 177.584 -0.276 0.000 1.470 724 A CA -0.227 51.263 52.037 -0.912 0.000 1.159 724 A CB -1.427 17.166 19.000 -0.678 0.000 1.116 724 A HN 0.873 nan 8.150 nan 0.000 0.548 725 D N 0.782 121.122 120.400 -0.099 0.000 2.570 725 D HA 0.601 5.268 4.640 0.044 0.000 0.266 725 D C 0.949 177.322 176.300 0.123 0.000 1.182 725 D CA -0.026 53.988 54.000 0.023 0.000 1.088 725 D CB -0.262 40.546 40.800 0.012 0.000 1.186 725 D HN 0.957 nan 8.370 nan 0.000 0.618 726 G N -1.407 107.448 108.800 0.092 0.000 2.176 726 G HA2 -0.167 3.819 3.960 0.044 0.000 0.252 726 G HA3 -0.167 3.819 3.960 0.044 0.000 0.252 726 G C 0.298 175.236 174.900 0.063 0.000 1.024 726 G CA 0.569 45.703 45.100 0.057 0.000 0.755 726 G HN 1.132 nan 8.290 nan 0.000 0.507 727 S N -1.466 114.289 115.700 0.091 0.000 2.977 727 S HA 0.406 4.902 4.470 0.044 0.000 0.250 727 S C 0.998 175.674 174.600 0.128 0.000 1.005 727 S CA 0.508 58.763 58.200 0.091 0.000 1.081 727 S CB -0.076 63.155 63.200 0.052 0.000 1.018 727 S HN 0.787 nan 8.310 nan 0.000 0.539 728 F N 2.766 122.713 119.950 -0.004 0.000 2.095 728 F HA -0.097 4.457 4.527 0.044 0.000 0.298 728 F C 2.057 177.853 175.800 -0.007 0.000 1.104 728 F CA 1.745 59.742 58.000 -0.005 0.000 1.232 728 F CB -0.195 38.803 39.000 -0.003 0.000 0.987 728 F HN 0.195 nan 8.300 nan 0.000 0.475 729 M N 0.209 119.958 119.600 0.247 0.000 2.175 729 M HA -0.166 4.341 4.480 0.044 0.000 0.264 729 M C 1.796 178.102 176.300 0.009 0.000 1.063 729 M CA 1.346 56.709 55.300 0.105 0.000 1.119 729 M CB -1.379 31.306 32.600 0.142 0.000 1.377 729 M HN 0.146 nan 8.290 nan 0.000 0.415 730 D N 0.487 120.900 120.400 0.021 0.000 2.117 730 D HA -0.142 4.525 4.640 0.044 0.000 0.197 730 D C 1.981 178.259 176.300 -0.037 0.000 0.987 730 D CA 1.121 55.119 54.000 -0.004 0.000 0.829 730 D CB -0.194 40.611 40.800 0.008 0.000 0.961 730 D HN 0.483 nan 8.370 nan 0.000 0.460 731 E N 0.534 120.700 120.200 -0.057 0.000 2.058 731 E HA -0.137 4.239 4.350 0.044 0.000 0.194 731 E C 2.198 178.716 176.600 -0.136 0.000 0.997 731 E CA 0.276 56.619 56.400 -0.095 0.000 0.801 731 E CB -0.092 29.537 29.700 -0.118 0.000 0.746 731 E HN 0.174 nan 8.360 nan 0.000 0.450 732 L N 1.068 122.173 121.223 -0.198 0.000 2.017 732 L HA -0.186 4.181 4.340 0.044 0.000 0.208 732 L C 2.208 179.007 176.870 -0.119 0.000 1.073 732 L CA 1.351 56.069 54.840 -0.204 0.000 0.745 732 L CB -0.378 41.522 42.059 -0.266 0.000 0.894 732 L HN 0.232 nan 8.230 nan 0.000 0.432 733 L N -0.062 121.112 121.223 -0.081 0.000 2.083 733 L HA -0.183 4.183 4.340 0.044 0.000 0.209 733 L C 2.636 179.481 176.870 -0.043 0.000 1.083 733 L CA 1.751 56.561 54.840 -0.050 0.000 0.752 733 L CB -1.829 40.212 42.059 -0.030 0.000 0.899 733 L HN 0.295 nan 8.230 nan 0.000 0.433 734 T N 0.145 114.672 114.554 -0.046 0.000 2.720 734 T HA -0.187 4.190 4.350 0.044 0.000 0.268 734 T C 2.120 176.790 174.700 -0.050 0.000 1.037 734 T CA 1.151 63.229 62.100 -0.037 0.000 1.144 734 T CB -0.193 68.654 68.868 -0.035 0.000 0.864 734 T HN 0.214 nan 8.240 nan 0.000 0.444 735 L N 0.116 121.290 121.223 -0.081 0.000 2.046 735 L HA -0.057 4.309 4.340 0.044 0.000 0.208 735 L C 2.670 179.475 176.870 -0.107 0.000 1.077 735 L CA 1.254 56.027 54.840 -0.112 0.000 0.747 735 L CB -0.516 41.456 42.059 -0.145 0.000 0.896 735 L HN 0.305 nan 8.230 nan 0.000 0.432 736 M N -0.795 118.757 119.600 -0.079 0.000 2.229 736 M HA -0.154 4.352 4.480 0.044 0.000 0.264 736 M C 2.499 178.801 176.300 0.004 0.000 1.063 736 M CA 1.603 56.873 55.300 -0.049 0.000 1.114 736 M CB -0.479 32.103 32.600 -0.031 0.000 1.387 736 M HN 0.311 nan 8.290 nan 0.000 0.420 737 A N 0.481 123.305 122.820 0.006 0.000 1.978 737 A HA -0.051 4.296 4.320 0.044 0.000 0.220 737 A C 2.227 179.856 177.584 0.074 0.000 1.170 737 A CA 1.869 53.930 52.037 0.040 0.000 0.636 737 A CB -0.746 18.269 19.000 0.026 0.000 0.810 737 A HN 0.513 nan 8.150 nan 0.000 0.448 738 A N -2.884 119.958 122.820 0.037 0.000 2.238 738 A HA 0.293 4.640 4.320 0.044 0.000 0.208 738 A C 1.017 178.629 177.584 0.046 0.000 1.177 738 A CA 1.507 53.577 52.037 0.055 0.000 0.804 738 A CB -0.470 18.517 19.000 -0.022 0.000 0.823 738 A HN 1.080 nan 8.150 nan 0.000 0.482 739 H N -1.801 117.213 119.070 -0.094 0.000 4.823 739 H HA -0.172 4.410 4.556 0.044 0.000 0.064 739 H C 0.030 175.147 175.328 -0.352 0.000 0.599 739 H CA 2.255 58.232 56.048 -0.119 0.000 0.956 739 H CB -0.616 29.185 29.762 0.065 0.000 0.432 739 H HN 0.454 nan 8.280 nan 0.000 0.798 740 R N -0.341 119.598 120.500 -0.935 0.000 2.799 740 R HA 0.616 4.982 4.340 0.044 0.000 0.270 740 R C -0.786 174.690 176.300 -1.374 0.000 1.010 740 R CA -0.271 55.050 56.100 -1.298 0.000 0.916 740 R CB 1.829 31.019 30.300 -1.850 0.000 1.228 740 R HN 0.059 nan 8.270 nan 0.000 0.469 741 V N 2.428 121.753 119.914 -0.982 0.000 2.174 741 V HA 0.113 4.260 4.120 0.044 0.000 0.259 741 V C 0.748 176.474 176.094 -0.612 0.000 1.261 741 V CA -0.451 61.445 62.300 -0.673 0.000 1.137 741 V CB -0.211 31.360 31.823 -0.421 0.000 1.290 741 V HN 0.716 nan 8.190 nan 0.000 0.486 742 W N 1.605 122.609 121.300 -0.493 0.000 2.350 742 W HA -0.220 4.466 4.660 0.044 0.000 0.289 742 W C 2.520 178.807 176.519 -0.387 0.000 1.215 742 W CA 0.987 57.938 57.345 -0.655 0.000 1.236 742 W CB -0.388 28.264 29.460 -1.347 0.000 1.130 742 W HN 0.655 nan 8.180 nan 0.000 0.541 743 S N 0.576 116.221 115.700 -0.093 0.000 2.507 743 S HA -0.144 4.352 4.470 0.044 0.000 0.235 743 S C 1.682 176.243 174.600 -0.065 0.000 0.988 743 S CA 0.934 59.105 58.200 -0.049 0.000 0.944 743 S CB -0.417 62.755 63.200 -0.046 0.000 0.762 743 S HN 0.429 nan 8.310 nan 0.000 0.526 744 R N 0.836 121.256 120.500 -0.132 0.000 2.240 744 R HA 0.209 4.576 4.340 0.044 0.000 0.203 744 R C 1.828 178.059 176.300 -0.115 0.000 1.011 744 R CA 0.479 56.480 56.100 -0.165 0.000 1.007 744 R CB -0.413 29.686 30.300 -0.335 0.000 0.911 744 R HN 0.460 nan 8.270 nan 0.000 0.468 745 I N 1.886 122.425 120.570 -0.051 0.000 2.113 745 I HA -0.269 3.927 4.170 0.044 0.000 0.242 745 I C -0.782 175.354 176.117 0.032 0.000 1.064 745 I CA 1.584 62.897 61.300 0.020 0.000 1.320 745 I CB -1.026 37.036 38.000 0.104 0.000 1.028 745 I HN 0.174 nan 8.210 nan 0.000 0.406 746 P HA -0.187 nan 4.420 nan 0.000 0.220 746 P C 1.148 178.474 177.300 0.044 0.000 1.144 746 P CA 1.561 64.688 63.100 0.044 0.000 0.800 746 P CB -0.067 31.655 31.700 0.038 0.000 0.772 747 K N -0.779 119.641 120.400 0.033 0.000 2.361 747 K HA 0.078 4.424 4.320 0.044 0.000 0.196 747 K C 1.984 178.638 176.600 0.091 0.000 1.039 747 K CA 0.512 56.841 56.287 0.070 0.000 1.001 747 K CB -0.289 32.277 32.500 0.110 0.000 0.795 747 K HN 0.279 nan 8.250 nan 0.000 0.495 748 I N -1.606 118.985 120.570 0.035 0.000 2.500 748 I HA -0.091 4.105 4.170 0.044 0.000 0.252 748 I C 1.075 177.233 176.117 0.068 0.000 1.142 748 I CA 1.159 62.482 61.300 0.040 0.000 1.451 748 I CB -0.107 37.870 38.000 -0.038 0.000 1.093 748 I HN -0.141 nan 8.210 nan 0.000 0.430 749 D N 2.011 122.452 120.400 0.068 0.000 2.149 749 D HA -0.170 4.496 4.640 0.044 0.000 0.198 749 D C 2.052 178.391 176.300 0.066 0.000 0.990 749 D CA 1.316 55.358 54.000 0.070 0.000 0.839 749 D CB -0.102 40.741 40.800 0.070 0.000 0.948 749 D HN 0.289 nan 8.370 nan 0.000 0.460 750 K N 0.398 120.838 120.400 0.067 0.000 2.097 750 K HA -0.001 4.345 4.320 0.044 0.000 0.206 750 K C 1.053 177.688 176.600 0.059 0.000 1.049 750 K CA 0.140 56.462 56.287 0.059 0.000 0.933 750 K CB -0.163 32.371 32.500 0.057 0.000 0.717 750 K HN 0.271 nan 8.250 nan 0.000 0.442 751 I N 2.320 122.935 120.570 0.074 0.000 2.496 751 I HA 0.136 4.333 4.170 0.044 0.000 0.285 751 I C -2.284 173.868 176.117 0.059 0.000 1.080 751 I CA -2.027 59.313 61.300 0.067 0.000 1.404 751 I CB 0.950 39.012 38.000 0.104 0.000 1.403 751 I HN -0.003 nan 8.210 nan 0.000 0.539 752 P HA 0.413 nan 4.420 nan 0.000 0.262 752 P C -1.028 176.336 177.300 0.107 0.000 1.620 752 P CA -0.107 63.033 63.100 0.067 0.000 1.089 752 P CB 0.678 32.410 31.700 0.053 0.000 1.601 753 A N 0.000 122.886 122.820 0.110 0.000 2.254 753 A HA 0.000 4.346 4.320 0.044 0.000 0.244 753 A CA 0.000 52.157 52.037 0.201 0.000 0.836 753 A CB 0.000 19.019 19.000 0.031 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486