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 3p9s_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGAHTF 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 0.000 174.565 174.600 -0.058 0.000 1.055 28 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 28 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 29 L N 1.123 122.302 121.223 -0.073 0.000 2.664 29 L HA 0.501 4.855 4.340 0.024 0.000 0.233 29 L C 1.269 178.061 176.870 -0.131 0.000 1.113 29 L CA -0.044 54.748 54.840 -0.080 0.000 0.896 29 L CB 0.011 42.034 42.059 -0.059 0.000 1.163 29 L HN 0.600 nan 8.230 nan 0.000 0.497 30 A N 1.874 124.563 122.820 -0.218 0.000 2.483 30 A HA 0.353 4.688 4.320 0.024 0.000 0.238 30 A C -1.993 175.428 177.584 -0.272 0.000 1.070 30 A CA -0.738 51.038 52.037 -0.436 0.000 0.770 30 A CB -0.584 17.953 19.000 -0.771 0.000 1.008 30 A HN -0.001 nan 8.150 nan 0.000 0.497 31 P HA 0.119 nan 4.420 nan 0.000 0.271 31 P C 0.177 177.453 177.300 -0.039 0.000 1.216 31 P CA -0.070 62.987 63.100 -0.072 0.000 0.776 31 P CB 0.928 32.628 31.700 -0.001 0.000 0.881 32 E N 1.321 121.509 120.200 -0.021 0.000 2.204 32 E HA -0.218 4.147 4.350 0.024 0.000 0.195 32 E C 1.051 177.668 176.600 0.027 0.000 0.990 32 E CA 1.258 57.656 56.400 -0.002 0.000 0.821 32 E CB -0.014 29.683 29.700 -0.005 0.000 0.750 32 E HN 0.527 nan 8.360 nan 0.000 0.477 33 D N -1.219 119.204 120.400 0.037 0.000 2.378 33 D HA -0.032 4.622 4.640 0.024 0.000 0.227 33 D C 1.277 177.625 176.300 0.080 0.000 1.012 33 D CA 0.891 54.920 54.000 0.049 0.000 0.905 33 D CB -0.171 40.651 40.800 0.036 0.000 0.895 33 D HN 0.224 nan 8.370 nan 0.000 0.532 34 G N 0.087 108.977 108.800 0.151 0.000 2.148 34 G HA2 -0.350 3.624 3.960 0.024 0.000 0.254 34 G HA3 -0.350 3.624 3.960 0.024 0.000 0.254 34 G C 1.030 176.019 174.900 0.147 0.000 0.981 34 G CA 0.870 46.097 45.100 0.213 0.000 0.670 34 G HN 0.729 nan 8.290 nan 0.000 0.528 35 S N 0.486 116.285 115.700 0.165 0.000 2.607 35 S HA -0.001 4.483 4.470 0.024 0.000 0.224 35 S C 1.918 176.577 174.600 0.098 0.000 0.969 35 S CA 1.068 59.319 58.200 0.085 0.000 0.927 35 S CB -0.507 62.730 63.200 0.063 0.000 0.772 35 S HN 0.937 nan 8.310 nan 0.000 0.533 36 H N 1.127 120.204 119.070 0.011 0.000 2.495 36 H HA 0.218 4.788 4.556 0.024 0.000 0.287 36 H C 0.831 176.171 175.328 0.020 0.000 1.033 36 H CA 0.495 56.550 56.048 0.013 0.000 1.307 36 H CB -0.322 29.447 29.762 0.011 0.000 1.401 36 H HN 0.362 nan 8.280 nan 0.000 0.555 37 R N 2.963 123.169 120.500 -0.491 0.000 2.229 37 R HA 0.321 4.675 4.340 0.024 0.000 0.332 37 R C -2.558 173.653 176.300 -0.148 0.000 0.989 37 R CA -2.155 53.718 56.100 -0.379 0.000 0.842 37 R CB 0.819 30.787 30.300 -0.553 0.000 1.119 37 R HN 0.097 nan 8.270 nan 0.000 0.456 38 P HA 0.129 nan 4.420 nan 0.000 0.271 38 P C -0.864 176.428 177.300 -0.014 0.000 1.216 38 P CA -0.370 62.720 63.100 -0.017 0.000 0.776 38 P CB 1.057 32.771 31.700 0.024 0.000 0.881 39 A N 2.834 125.652 122.820 -0.004 0.000 2.540 39 A HA 0.347 4.681 4.320 0.024 0.000 0.239 39 A C 1.048 178.642 177.584 0.016 0.000 1.061 39 A CA 0.116 52.154 52.037 0.002 0.000 0.758 39 A CB -0.418 18.585 19.000 0.005 0.000 0.991 39 A HN 0.589 nan 8.150 nan 0.000 0.502 40 A N 3.224 126.053 122.820 0.015 0.000 3.077 40 A HA 0.484 4.818 4.320 0.024 0.000 0.255 40 A C 0.405 178.006 177.584 0.029 0.000 1.728 40 A CA 0.234 52.286 52.037 0.026 0.000 1.383 40 A CB -0.891 18.122 19.000 0.021 0.000 1.097 40 A HN 0.903 nan 8.150 nan 0.000 0.634 41 E N -0.658 119.561 120.200 0.031 0.000 2.407 41 E HA 0.504 4.868 4.350 0.024 0.000 0.279 41 E C -3.307 173.312 176.600 0.032 0.000 1.012 41 E CA -2.484 53.935 56.400 0.032 0.000 0.800 41 E CB 0.876 30.590 29.700 0.023 0.000 1.276 41 E HN 0.044 nan 8.360 nan 0.000 0.452 42 P HA 0.101 nan 4.420 nan 0.000 0.267 42 P C -0.782 176.521 177.300 0.005 0.000 1.205 42 P CA 0.264 63.372 63.100 0.014 0.000 0.765 42 P CB 0.594 32.289 31.700 -0.009 0.000 0.828 43 T N 0.803 115.356 114.554 -0.001 0.000 2.916 43 T HA 0.632 4.997 4.350 0.024 0.000 0.305 43 T C -2.982 171.689 174.700 -0.048 0.000 1.119 43 T CA -2.495 59.600 62.100 -0.008 0.000 1.008 43 T CB 1.914 70.784 68.868 0.004 0.000 1.129 43 T HN 0.089 nan 8.240 nan 0.000 0.480 44 P HA 0.395 nan 4.420 nan 0.000 0.276 44 P C -2.795 174.365 177.300 -0.232 0.000 1.252 44 P CA -1.743 61.210 63.100 -0.246 0.000 0.802 44 P CB -0.834 30.762 31.700 -0.174 0.000 1.035 45 P HA 0.006 nan 4.420 nan 0.000 0.261 45 P C 1.104 178.357 177.300 -0.079 0.000 1.173 45 P CA 1.576 64.577 63.100 -0.164 0.000 0.760 45 P CB -0.386 31.214 31.700 -0.166 0.000 0.783 46 G N 2.687 111.471 108.800 -0.026 0.000 2.225 46 G HA2 -0.347 3.627 3.960 0.024 0.000 0.254 46 G HA3 -0.347 3.627 3.960 0.024 0.000 0.254 46 G C 1.129 176.028 174.900 -0.002 0.000 0.988 46 G CA 0.434 45.532 45.100 -0.003 0.000 0.625 46 G HN 0.692 nan 8.290 nan 0.000 0.527 47 A N -0.971 121.842 122.820 -0.011 0.000 1.970 47 A HA 0.448 4.783 4.320 0.024 0.000 0.216 47 A C 1.302 178.889 177.584 0.006 0.000 1.170 47 A CA 1.939 53.975 52.037 -0.002 0.000 0.645 47 A CB 0.020 19.016 19.000 -0.007 0.000 0.816 47 A HN 0.544 nan 8.150 nan 0.000 0.447 48 Q N -0.840 118.968 119.800 0.012 0.000 2.456 48 Q HA 0.424 4.778 4.340 0.024 0.000 0.284 48 Q C -2.979 173.038 176.000 0.029 0.000 1.061 48 Q CA -2.111 53.703 55.803 0.019 0.000 0.799 48 Q CB 1.026 29.778 28.738 0.024 0.000 1.445 48 Q HN 0.070 nan 8.270 nan 0.000 0.411 49 P HA 0.023 nan 4.420 nan 0.000 0.269 49 P C -0.238 177.098 177.300 0.060 0.000 1.209 49 P CA 0.045 63.163 63.100 0.030 0.000 0.776 49 P CB 0.193 31.907 31.700 0.024 0.000 0.876 50 T N -0.778 113.813 114.554 0.062 0.000 2.860 50 T HA 0.597 4.961 4.350 0.024 0.000 0.299 50 T C 0.012 174.802 174.700 0.151 0.000 1.045 50 T CA -0.525 61.662 62.100 0.145 0.000 1.071 50 T CB 0.661 69.565 68.868 0.060 0.000 0.985 50 T HN 0.580 nan 8.240 nan 0.000 0.537 51 A N 2.238 125.243 122.820 0.309 0.000 2.566 51 A HA 0.810 5.144 4.320 0.024 0.000 0.292 51 A C -2.988 174.875 177.584 0.466 0.000 1.112 51 A CA -2.216 49.985 52.037 0.273 0.000 0.707 51 A CB 0.683 19.788 19.000 0.176 0.000 1.302 51 A HN 0.658 nan 8.150 nan 0.000 0.409 52 P HA 0.111 nan 4.420 nan 0.000 0.264 52 P C 1.177 178.635 177.300 0.263 0.000 1.183 52 P CA 0.903 64.231 63.100 0.379 0.000 0.763 52 P CB 0.581 32.421 31.700 0.234 0.000 0.807 53 G N 2.253 111.168 108.800 0.191 0.000 2.442 53 G HA2 -0.277 3.697 3.960 0.024 0.000 0.219 53 G HA3 -0.277 3.697 3.960 0.024 0.000 0.219 53 G C 1.525 176.448 174.900 0.039 0.000 1.141 53 G CA 1.050 46.173 45.100 0.039 0.000 0.763 53 G HN 0.586 nan 8.290 nan 0.000 0.554 54 S N -0.081 115.647 115.700 0.048 0.000 2.481 54 S HA 0.151 4.635 4.470 0.024 0.000 0.231 54 S C 2.205 176.829 174.600 0.040 0.000 0.996 54 S CA 0.617 58.830 58.200 0.023 0.000 0.942 54 S CB -0.157 63.049 63.200 0.010 0.000 0.768 54 S HN 0.314 nan 8.310 nan 0.000 0.520 55 L N -0.008 121.255 121.223 0.067 0.000 2.202 55 L HA 0.238 4.592 4.340 0.024 0.000 0.205 55 L C 2.708 179.615 176.870 0.061 0.000 1.083 55 L CA 0.882 55.760 54.840 0.063 0.000 0.790 55 L CB -0.403 41.702 42.059 0.076 0.000 0.942 55 L HN 0.256 nan 8.230 nan 0.000 0.452 56 K N 1.464 121.913 120.400 0.081 0.000 2.057 56 K HA -0.027 4.307 4.320 0.024 0.000 0.206 56 K C 0.807 177.440 176.600 0.054 0.000 1.050 56 K CA 1.501 57.834 56.287 0.076 0.000 0.935 56 K CB 0.041 32.604 32.500 0.105 0.000 0.715 56 K HN 0.180 nan 8.250 nan 0.000 0.439 57 A N 0.350 123.195 122.820 0.042 0.000 3.410 57 A HA 0.332 4.666 4.320 0.024 0.000 0.276 57 A C -2.148 175.447 177.584 0.017 0.000 0.995 57 A CA -0.914 51.147 52.037 0.039 0.000 0.934 57 A CB 0.531 19.562 19.000 0.053 0.000 1.191 57 A HN 0.167 nan 8.150 nan 0.000 0.511 58 P HA -0.146 nan 4.420 nan 0.000 0.219 58 P C 0.132 177.428 177.300 -0.007 0.000 1.146 58 P CA 1.206 64.307 63.100 0.003 0.000 0.808 58 P CB 0.269 31.974 31.700 0.009 0.000 0.779 59 D N -0.817 119.584 120.400 0.001 0.000 2.340 59 D HA 0.011 4.665 4.640 0.024 0.000 0.220 59 D C 0.276 176.567 176.300 -0.015 0.000 1.039 59 D CA 0.597 54.594 54.000 -0.005 0.000 0.866 59 D CB -0.439 40.365 40.800 0.007 0.000 0.913 59 D HN 0.135 nan 8.370 nan 0.000 0.523 60 T N 2.787 117.331 114.554 -0.017 0.000 2.723 60 T HA 0.297 4.662 4.350 0.024 0.000 0.297 60 T C 0.440 175.099 174.700 -0.068 0.000 0.925 60 T CA -0.474 61.601 62.100 -0.041 0.000 1.030 60 T CB 1.019 69.864 68.868 -0.039 0.000 0.905 60 T HN -0.147 nan 8.240 nan 0.000 0.502 61 R N 3.107 123.559 120.500 -0.081 0.000 2.854 61 R HA 0.667 5.021 4.340 0.024 0.000 0.271 61 R C -0.424 175.817 176.300 -0.098 0.000 0.994 61 R CA -1.045 55.001 56.100 -0.090 0.000 0.945 61 R CB 1.702 31.956 30.300 -0.077 0.000 1.194 61 R HN 0.821 nan 8.270 nan 0.000 0.476 62 N N -2.323 116.321 118.700 -0.093 0.000 2.934 62 N HA 0.060 4.814 4.740 0.024 0.000 0.253 62 N C 0.250 175.715 175.510 -0.075 0.000 1.466 62 N CA -0.808 52.198 53.050 -0.072 0.000 0.858 62 N CB 0.859 39.335 38.487 -0.018 0.000 1.459 62 N HN 0.558 nan 8.380 nan 0.000 0.532 63 E N -0.170 120.000 120.200 -0.051 0.000 2.085 63 E HA -0.291 4.074 4.350 0.024 0.000 0.194 63 E C 1.056 177.587 176.600 -0.114 0.000 0.994 63 E CA 1.508 57.872 56.400 -0.060 0.000 0.801 63 E CB 0.070 29.758 29.700 -0.020 0.000 0.743 63 E HN 0.503 nan 8.360 nan 0.000 0.453 64 K N 0.733 121.034 120.400 -0.165 0.000 2.025 64 K HA -0.101 4.234 4.320 0.024 0.000 0.207 64 K C 2.123 178.564 176.600 -0.265 0.000 1.049 64 K CA 1.175 57.271 56.287 -0.319 0.000 0.933 64 K CB -0.438 31.703 32.500 -0.599 0.000 0.714 64 K HN 0.178 nan 8.250 nan 0.000 0.438 65 L N 0.796 121.876 121.223 -0.239 0.000 2.042 65 L HA -0.229 4.126 4.340 0.024 0.000 0.210 65 L C 1.939 178.697 176.870 -0.187 0.000 1.076 65 L CA 1.367 56.039 54.840 -0.281 0.000 0.749 65 L CB -0.604 41.291 42.059 -0.272 0.000 0.893 65 L HN 0.273 nan 8.230 nan 0.000 0.432 66 N N -0.300 118.315 118.700 -0.141 0.000 2.120 66 N HA -0.165 4.589 4.740 0.024 0.000 0.188 66 N C 2.041 177.493 175.510 -0.097 0.000 1.024 66 N CA 1.713 54.702 53.050 -0.102 0.000 0.852 66 N CB -0.442 37.998 38.487 -0.078 0.000 1.003 66 N HN 0.372 nan 8.380 nan 0.000 0.424 67 S N 0.271 115.903 115.700 -0.114 0.000 2.481 67 S HA 0.043 4.528 4.470 0.024 0.000 0.231 67 S C 1.776 176.314 174.600 -0.104 0.000 0.996 67 S CA 0.324 58.464 58.200 -0.101 0.000 0.942 67 S CB -0.429 62.703 63.200 -0.113 0.000 0.768 67 S HN 0.246 nan 8.310 nan 0.000 0.520 68 L N 0.714 121.862 121.223 -0.125 0.000 2.552 68 L HA 0.174 4.528 4.340 0.024 0.000 0.227 68 L C 2.634 179.459 176.870 -0.075 0.000 1.146 68 L CA 0.545 55.320 54.840 -0.108 0.000 0.858 68 L CB -0.376 41.601 42.059 -0.135 0.000 0.969 68 L HN 0.276 nan 8.230 nan 0.000 0.451 69 E N 1.056 121.216 120.200 -0.068 0.000 2.153 69 E HA -0.252 4.113 4.350 0.024 0.000 0.194 69 E C 1.747 178.328 176.600 -0.032 0.000 0.988 69 E CA 1.477 57.850 56.400 -0.045 0.000 0.811 69 E CB -0.090 29.585 29.700 -0.041 0.000 0.746 69 E HN 0.561 nan 8.360 nan 0.000 0.466 70 D N -0.338 120.041 120.400 -0.035 0.000 2.221 70 D HA -0.155 4.499 4.640 0.024 0.000 0.204 70 D C 1.611 177.898 176.300 -0.023 0.000 0.982 70 D CA 1.789 55.772 54.000 -0.027 0.000 0.857 70 D CB -0.276 40.506 40.800 -0.029 0.000 0.934 70 D HN 0.309 nan 8.370 nan 0.000 0.475 71 V N -3.397 116.502 119.914 -0.026 0.000 3.643 71 V HA 0.313 4.447 4.120 0.024 0.000 0.280 71 V C 0.978 177.067 176.094 -0.009 0.000 1.351 71 V CA -0.630 61.660 62.300 -0.016 0.000 1.073 71 V CB -0.512 31.301 31.823 -0.016 0.000 0.863 71 V HN -0.156 nan 8.190 nan 0.000 0.436 72 R N 2.076 122.570 120.500 -0.010 0.000 2.489 72 R HA 0.368 4.722 4.340 0.024 0.000 0.287 72 R C -0.169 176.136 176.300 0.009 0.000 1.053 72 R CA 0.207 56.310 56.100 0.005 0.000 1.036 72 R CB 0.569 30.871 30.300 0.004 0.000 0.966 72 R HN 0.374 nan 8.270 nan 0.000 0.432 73 K N 1.444 121.854 120.400 0.018 0.000 2.358 73 K HA 0.318 4.652 4.320 0.024 0.000 0.260 73 K C -0.021 176.604 176.600 0.042 0.000 0.956 73 K CA -0.411 55.877 56.287 0.002 0.000 0.834 73 K CB 1.749 34.237 32.500 -0.019 0.000 1.102 73 K HN 0.721 nan 8.250 nan 0.000 0.431 74 G N 0.489 109.336 108.800 0.079 0.000 2.531 74 G HA2 0.271 4.246 3.960 0.024 0.000 0.253 74 G HA3 0.271 4.246 3.960 0.024 0.000 0.253 74 G C 0.314 175.348 174.900 0.223 0.000 1.439 74 G CA 0.251 45.454 45.100 0.172 0.000 1.056 74 G HN 0.717 nan 8.290 nan 0.000 0.555 75 S N -2.702 113.202 115.700 0.340 0.000 2.323 75 S HA 0.090 4.575 4.470 0.024 0.000 0.233 75 S C 0.184 174.928 174.600 0.241 0.000 0.898 75 S CA -0.122 58.271 58.200 0.321 0.000 1.321 75 S CB -0.038 63.256 63.200 0.157 0.000 0.921 75 S HN 0.501 nan 8.310 nan 0.000 0.398 76 E N 3.042 123.299 120.200 0.095 0.000 2.414 76 E HA 0.310 4.675 4.350 0.024 0.000 0.263 76 E C -0.168 176.307 176.600 -0.208 0.000 1.000 76 E CA 0.326 56.714 56.400 -0.020 0.000 0.914 76 E CB 0.075 29.763 29.700 -0.020 0.000 0.948 76 E HN 0.409 nan 8.360 nan 0.000 0.444 77 N N 0.422 119.025 118.700 -0.162 0.000 2.936 77 N HA -0.207 4.547 4.740 0.024 0.000 0.236 77 N C -1.095 174.268 175.510 -0.245 0.000 0.930 77 N CA 1.141 54.053 53.050 -0.231 0.000 0.966 77 N CB -1.364 36.948 38.487 -0.291 0.000 1.090 77 N HN 0.375 nan 8.380 nan 0.000 0.592 78 Y N 0.830 121.137 120.300 0.012 0.000 2.387 78 Y HA 0.648 5.213 4.550 0.025 0.000 0.330 78 Y C 0.961 176.866 175.900 0.008 0.000 1.133 78 Y CA -0.695 57.411 58.100 0.010 0.000 1.152 78 Y CB 1.029 39.495 38.460 0.011 0.000 1.215 78 Y HN 0.136 nan 8.280 nan 0.000 0.466 79 A N 2.929 125.865 122.820 0.194 0.000 2.425 79 A HA 0.376 4.710 4.320 0.024 0.000 0.249 79 A C -0.593 177.041 177.584 0.083 0.000 1.084 79 A CA -0.504 51.594 52.037 0.102 0.000 0.781 79 A CB -0.009 19.037 19.000 0.077 0.000 1.019 79 A HN 0.744 nan 8.150 nan 0.000 0.490 80 L N 3.177 124.431 121.223 0.051 0.000 2.410 80 L HA 0.518 4.872 4.340 0.024 0.000 0.273 80 L C 0.638 177.519 176.870 0.019 0.000 1.152 80 L CA 1.097 55.955 54.840 0.029 0.000 0.855 80 L CB 0.513 42.581 42.059 0.014 0.000 1.129 80 L HN 0.901 nan 8.230 nan 0.000 0.463 81 T N 0.354 114.913 114.554 0.009 0.000 2.887 81 T HA 0.647 5.012 4.350 0.024 0.000 0.292 81 T C 0.199 174.904 174.700 0.008 0.000 1.087 81 T CA -0.192 61.915 62.100 0.013 0.000 1.009 81 T CB 1.037 69.913 68.868 0.013 0.000 1.203 81 T HN 0.812 nan 8.240 nan 0.000 0.518 82 T N 0.353 114.926 114.554 0.031 0.000 2.701 82 T HA 0.199 4.563 4.350 0.024 0.000 0.303 82 T C 1.099 175.816 174.700 0.028 0.000 1.030 82 T CA -0.457 61.669 62.100 0.043 0.000 1.010 82 T CB -0.079 68.856 68.868 0.112 0.000 1.007 82 T HN 0.573 nan 8.240 nan 0.000 0.532 83 N N 0.517 119.234 118.700 0.029 0.000 2.453 83 N HA -0.072 4.682 4.740 0.024 0.000 0.183 83 N C 1.558 177.084 175.510 0.027 0.000 1.041 83 N CA 0.609 53.668 53.050 0.015 0.000 0.900 83 N CB -0.175 38.327 38.487 0.025 0.000 0.961 83 N HN 0.566 nan 8.380 nan 0.000 0.443 84 Q N -0.387 119.442 119.800 0.047 0.000 2.365 84 Q HA 0.176 4.530 4.340 0.024 0.000 0.203 84 Q C 0.839 176.857 176.000 0.031 0.000 0.929 84 Q CA 0.184 56.010 55.803 0.038 0.000 0.948 84 Q CB 0.273 29.038 28.738 0.045 0.000 1.043 84 Q HN 0.410 nan 8.270 nan 0.000 0.505 85 G N 0.312 109.129 108.800 0.027 0.000 2.157 85 G HA2 -0.245 3.730 3.960 0.024 0.000 0.248 85 G HA3 -0.245 3.730 3.960 0.024 0.000 0.248 85 G C 0.137 175.059 174.900 0.037 0.000 0.979 85 G CA 0.153 45.264 45.100 0.018 0.000 0.650 85 G HN 0.241 nan 8.290 nan 0.000 0.529 86 V N 1.750 121.702 119.914 0.064 0.000 2.461 86 V HA 0.349 4.483 4.120 0.024 0.000 0.275 86 V C 1.329 177.463 176.094 0.066 0.000 1.047 86 V CA -0.571 61.780 62.300 0.085 0.000 0.955 86 V CB 1.093 33.014 31.823 0.164 0.000 0.988 86 V HN 0.402 nan 8.190 nan 0.000 0.471 87 R N 4.335 124.866 120.500 0.053 0.000 2.522 87 R HA 0.277 4.631 4.340 0.024 0.000 0.284 87 R C -0.473 175.843 176.300 0.027 0.000 1.032 87 R CA 0.073 56.196 56.100 0.037 0.000 1.049 87 R CB 0.353 30.674 30.300 0.035 0.000 0.956 87 R HN 0.577 nan 8.270 nan 0.000 0.422 88 I N 2.212 122.786 120.570 0.008 0.000 2.353 88 I HA 0.111 4.295 4.170 0.024 0.000 0.293 88 I C 0.993 177.102 176.117 -0.014 0.000 0.992 88 I CA 0.074 61.364 61.300 -0.018 0.000 1.268 88 I CB 1.872 39.852 38.000 -0.034 0.000 1.387 88 I HN 0.769 nan 8.210 nan 0.000 0.478 89 A N 4.054 126.862 122.820 -0.021 0.000 1.911 89 A HA 0.015 4.349 4.320 0.024 0.000 0.212 89 A C 0.679 178.249 177.584 -0.024 0.000 1.189 89 A CA 0.907 52.935 52.037 -0.016 0.000 0.639 89 A CB 0.064 19.057 19.000 -0.012 0.000 0.839 89 A HN 0.680 nan 8.150 nan 0.000 0.449 90 D N -0.533 119.844 120.400 -0.038 0.000 2.389 90 D HA 0.308 4.963 4.640 0.024 0.000 0.256 90 D C -1.315 174.954 176.300 -0.052 0.000 1.239 90 D CA -0.363 53.613 54.000 -0.040 0.000 0.925 90 D CB 1.053 41.830 40.800 -0.039 0.000 1.145 90 D HN 0.063 nan 8.370 nan 0.000 0.542 91 D N 1.936 122.309 120.400 -0.045 0.000 2.395 91 D HA 0.050 4.705 4.640 0.024 0.000 0.226 91 D C 0.585 176.855 176.300 -0.051 0.000 1.146 91 D CA 0.263 54.232 54.000 -0.051 0.000 0.830 91 D CB 0.488 41.263 40.800 -0.042 0.000 0.958 91 D HN 0.213 nan 8.370 nan 0.000 0.501 92 Q N -0.610 119.161 119.800 -0.048 0.000 2.246 92 Q HA 0.279 4.634 4.340 0.024 0.000 0.222 92 Q C -0.191 175.780 176.000 -0.049 0.000 0.851 92 Q CA 0.131 55.906 55.803 -0.046 0.000 0.945 92 Q CB 0.809 29.525 28.738 -0.037 0.000 1.122 92 Q HN 0.188 nan 8.270 nan 0.000 0.508 93 N N -0.065 118.603 118.700 -0.053 0.000 2.331 93 N HA 0.310 5.064 4.740 0.024 0.000 0.280 93 N C -0.998 174.476 175.510 -0.059 0.000 1.155 93 N CA -0.235 52.785 53.050 -0.050 0.000 0.822 93 N CB 2.141 40.603 38.487 -0.042 0.000 1.619 93 N HN -0.182 nan 8.380 nan 0.000 0.476 94 S N 0.689 116.357 115.700 -0.054 0.000 2.632 94 S HA 0.326 4.811 4.470 0.024 0.000 0.267 94 S C 0.069 174.640 174.600 -0.048 0.000 1.276 94 S CA -0.561 57.606 58.200 -0.055 0.000 0.998 94 S CB 0.772 63.946 63.200 -0.044 0.000 0.953 94 S HN 0.407 nan 8.310 nan 0.000 0.547 95 L N 3.150 124.344 121.223 -0.050 0.000 2.290 95 L HA 0.468 4.822 4.340 0.024 0.000 0.284 95 L C 0.003 176.861 176.870 -0.020 0.000 1.078 95 L CA 0.238 55.057 54.840 -0.035 0.000 0.815 95 L CB -0.013 42.024 42.059 -0.036 0.000 1.162 95 L HN 0.731 nan 8.230 nan 0.000 0.435 96 R N 4.180 124.671 120.500 -0.015 0.000 2.836 96 R HA 0.870 5.225 4.340 0.024 0.000 0.269 96 R C -1.105 175.192 176.300 -0.004 0.000 1.010 96 R CA -0.847 55.248 56.100 -0.009 0.000 0.930 96 R CB 1.152 31.445 30.300 -0.012 0.000 1.218 96 R HN 0.596 nan 8.270 nan 0.000 0.473 97 A N 1.265 124.084 122.820 -0.001 0.000 2.666 97 A HA 0.575 4.909 4.320 0.024 0.000 0.312 97 A C 0.596 178.179 177.584 -0.001 0.000 1.471 97 A CA 0.317 52.355 52.037 0.001 0.000 1.134 97 A CB -0.943 18.059 19.000 0.003 0.000 1.129 97 A HN 1.223 nan 8.150 nan 0.000 0.539 98 G N 1.194 109.992 108.800 -0.002 0.000 2.705 98 G HA2 0.034 4.008 3.960 0.024 0.000 0.686 98 G HA3 0.034 4.008 3.960 0.024 0.000 0.686 98 G C 0.634 175.530 174.900 -0.006 0.000 1.285 98 G CA 0.091 45.189 45.100 -0.004 0.000 0.800 98 G HN 1.838 nan 8.290 nan 0.000 0.611 99 S N -0.228 115.468 115.700 -0.007 0.000 2.555 99 S HA 0.032 4.517 4.470 0.024 0.000 0.230 99 S C 1.461 176.055 174.600 -0.010 0.000 0.978 99 S CA 1.279 59.473 58.200 -0.010 0.000 0.934 99 S CB 0.077 63.271 63.200 -0.010 0.000 0.766 99 S HN 0.753 nan 8.310 nan 0.000 0.533 100 R N 0.805 121.300 120.500 -0.008 0.000 2.613 100 R HA 0.354 4.709 4.340 0.024 0.000 0.361 100 R C 0.869 177.165 176.300 -0.007 0.000 1.072 100 R CA 0.001 56.096 56.100 -0.008 0.000 1.089 100 R CB 0.819 31.115 30.300 -0.007 0.000 1.343 100 R HN 0.421 nan 8.270 nan 0.000 0.571 101 G N 1.620 110.416 108.800 -0.007 0.000 2.568 101 G HA2 0.411 4.386 3.960 0.024 0.000 0.293 101 G HA3 0.411 4.386 3.960 0.024 0.000 0.293 101 G C -2.415 172.482 174.900 -0.005 0.000 1.347 101 G CA -1.124 43.973 45.100 -0.005 0.000 1.039 101 G HN -0.105 nan 8.290 nan 0.000 0.523 102 P HA 0.251 nan 4.420 nan 0.000 0.277 102 P C -0.297 177.001 177.300 -0.002 0.000 1.240 102 P CA -0.131 62.968 63.100 -0.002 0.000 0.798 102 P CB 0.977 32.678 31.700 0.001 0.000 0.979 103 T N 2.324 116.876 114.554 -0.004 0.000 2.901 103 T HA 0.251 4.616 4.350 0.024 0.000 0.301 103 T C 0.449 175.150 174.700 0.003 0.000 1.012 103 T CA -0.061 62.037 62.100 -0.005 0.000 1.135 103 T CB -0.080 68.783 68.868 -0.008 0.000 0.936 103 T HN 0.176 nan 8.240 nan 0.000 0.539 104 L N 3.793 125.019 121.223 0.005 0.000 2.307 104 L HA 0.313 4.667 4.340 0.024 0.000 0.282 104 L C 1.408 178.293 176.870 0.025 0.000 1.051 104 L CA -0.796 54.053 54.840 0.016 0.000 0.804 104 L CB 0.968 43.038 42.059 0.018 0.000 1.197 104 L HN 0.513 nan 8.230 nan 0.000 0.431 105 L N 2.567 123.809 121.223 0.032 0.000 2.187 105 L HA -0.204 4.150 4.340 0.024 0.000 0.213 105 L C 2.316 179.225 176.870 0.066 0.000 1.100 105 L CA 1.695 56.561 54.840 0.043 0.000 0.765 105 L CB -0.560 41.522 42.059 0.040 0.000 0.904 105 L HN 0.792 nan 8.230 nan 0.000 0.437 106 E N -1.625 118.618 120.200 0.072 0.000 2.516 106 E HA -0.172 4.192 4.350 0.024 0.000 0.199 106 E C 0.228 176.924 176.600 0.160 0.000 1.069 106 E CA 0.222 56.694 56.400 0.119 0.000 0.876 106 E CB -0.543 29.222 29.700 0.108 0.000 0.843 106 E HN 0.364 nan 8.360 nan 0.000 0.530 107 D N 1.301 121.745 120.400 0.074 0.000 2.541 107 D HA -0.051 4.604 4.640 0.024 0.000 0.231 107 D C 0.460 176.754 176.300 -0.010 0.000 1.163 107 D CA -0.414 53.576 54.000 -0.016 0.000 1.077 107 D CB -0.301 40.466 40.800 -0.054 0.000 1.110 107 D HN 0.328 nan 8.370 nan 0.000 0.499 108 F N 1.245 121.203 119.950 0.014 0.000 2.407 108 F HA 0.050 4.588 4.527 0.017 0.000 0.299 108 F C 1.592 177.404 175.800 0.020 0.000 1.097 108 F CA 0.179 58.190 58.000 0.018 0.000 1.422 108 F CB -0.598 38.412 39.000 0.017 0.000 1.067 108 F HN 0.157 nan 8.300 nan 0.000 0.539 109 I N 0.286 120.467 120.570 -0.649 0.000 2.233 109 I HA -0.181 4.004 4.170 0.024 0.000 0.243 109 I C 2.473 178.488 176.117 -0.170 0.000 1.093 109 I CA 0.909 61.951 61.300 -0.430 0.000 1.380 109 I CB -0.523 37.165 38.000 -0.520 0.000 1.067 109 I HN 0.256 nan 8.210 nan 0.000 0.413 110 L N 1.166 122.299 121.223 -0.150 0.000 2.013 110 L HA -0.228 4.126 4.340 0.024 0.000 0.212 110 L C 2.630 179.491 176.870 -0.015 0.000 1.073 110 L CA 1.944 56.740 54.840 -0.073 0.000 0.753 110 L CB -0.508 41.512 42.059 -0.064 0.000 0.890 110 L HN 0.070 nan 8.230 nan 0.000 0.432 111 R N -0.783 119.726 120.500 0.015 0.000 2.115 111 R HA -0.140 4.215 4.340 0.024 0.000 0.226 111 R C 2.271 178.628 176.300 0.094 0.000 1.100 111 R CA 1.265 57.403 56.100 0.064 0.000 0.980 111 R CB -0.326 30.026 30.300 0.087 0.000 0.875 111 R HN 0.584 nan 8.270 nan 0.000 0.445 112 E N 1.369 121.628 120.200 0.098 0.000 2.072 112 E HA -0.231 4.133 4.350 0.024 0.000 0.191 112 E C 1.916 178.593 176.600 0.128 0.000 0.985 112 E CA 1.209 57.685 56.400 0.126 0.000 0.801 112 E CB 0.134 29.914 29.700 0.133 0.000 0.750 112 E HN 0.146 nan 8.360 nan 0.000 0.452 113 K N 0.295 120.741 120.400 0.077 0.000 2.057 113 K HA -0.114 4.221 4.320 0.024 0.000 0.206 113 K C 2.142 178.814 176.600 0.120 0.000 1.050 113 K CA 1.138 57.469 56.287 0.074 0.000 0.935 113 K CB -0.007 32.494 32.500 0.002 0.000 0.715 113 K HN 0.139 nan 8.250 nan 0.000 0.439 114 I N 1.482 122.102 120.570 0.085 0.000 2.315 114 I HA -0.187 3.998 4.170 0.024 0.000 0.248 114 I C 2.102 178.331 176.117 0.187 0.000 1.117 114 I CA 1.328 62.697 61.300 0.116 0.000 1.404 114 I CB -1.439 36.593 38.000 0.053 0.000 1.071 114 I HN 0.234 nan 8.210 nan 0.000 0.419 115 T N -0.327 114.331 114.554 0.173 0.000 2.708 115 T HA -0.219 4.145 4.350 0.024 0.000 0.266 115 T C 1.964 176.812 174.700 0.246 0.000 1.037 115 T CA 1.396 63.623 62.100 0.211 0.000 1.146 115 T CB -0.438 68.560 68.868 0.216 0.000 0.865 115 T HN 0.354 nan 8.240 nan 0.000 0.435 116 H N -0.131 119.040 119.070 0.167 0.000 2.387 116 H HA -0.054 4.516 4.556 0.023 0.000 0.299 116 H C 2.174 177.571 175.328 0.116 0.000 1.090 116 H CA 1.399 57.532 56.048 0.142 0.000 1.332 116 H CB -0.355 29.469 29.762 0.103 0.000 1.386 116 H HN 0.402 nan 8.280 nan 0.000 0.516 117 F N 2.014 122.023 119.950 0.098 0.000 2.102 117 F HA -0.187 4.352 4.527 0.019 0.000 0.298 117 F C 1.908 177.651 175.800 -0.095 0.000 1.105 117 F CA 1.665 59.671 58.000 0.009 0.000 1.239 117 F CB -0.307 38.696 39.000 0.004 0.000 0.991 117 F HN 0.035 nan 8.300 nan 0.000 0.474 118 D N -1.138 119.191 120.400 -0.118 0.000 2.351 118 D HA -0.133 4.522 4.640 0.024 0.000 0.216 118 D C 1.092 176.980 176.300 -0.687 0.000 0.968 118 D CA 1.133 54.889 54.000 -0.407 0.000 0.899 118 D CB -0.341 40.213 40.800 -0.410 0.000 0.907 118 D HN 0.506 nan 8.370 nan 0.000 0.514 119 H N -0.716 118.233 119.070 -0.201 0.000 2.649 119 H HA 0.215 4.782 4.556 0.018 0.000 0.258 119 H C 0.950 176.116 175.328 -0.270 0.000 1.165 119 H CA -0.123 55.803 56.048 -0.202 0.000 1.006 119 H CB 0.551 30.215 29.762 -0.163 0.000 1.743 119 H HN 0.253 nan 8.280 nan 0.000 0.609 120 E N 0.709 120.743 120.200 -0.277 0.000 2.204 120 E HA -0.047 4.317 4.350 0.024 0.000 0.194 120 E C 0.488 176.929 176.600 -0.265 0.000 0.989 120 E CA 0.543 56.750 56.400 -0.322 0.000 0.824 120 E CB 0.438 29.924 29.700 -0.356 0.000 0.756 120 E HN 0.139 nan 8.360 nan 0.000 0.477 121 R N 1.201 121.606 120.500 -0.159 0.000 2.410 121 R HA 0.352 4.706 4.340 0.024 0.000 0.288 121 R C 0.428 176.764 176.300 0.059 0.000 1.051 121 R CA -0.252 55.827 56.100 -0.035 0.000 1.021 121 R CB 0.638 30.910 30.300 -0.046 0.000 1.032 121 R HN 0.154 nan 8.270 nan 0.000 0.481 122 I N -0.893 119.777 120.570 0.166 0.000 2.910 122 I HA 0.610 4.794 4.170 0.024 0.000 0.310 122 I C -2.213 173.967 176.117 0.104 0.000 1.043 122 I CA -2.925 58.462 61.300 0.145 0.000 1.053 122 I CB 1.780 39.904 38.000 0.208 0.000 1.242 122 I HN 0.246 nan 8.210 nan 0.000 0.452 123 P HA 0.116 nan 4.420 nan 0.000 0.268 123 P C -0.953 176.378 177.300 0.052 0.000 1.205 123 P CA -0.122 63.006 63.100 0.047 0.000 0.771 123 P CB 0.450 32.167 31.700 0.028 0.000 0.858 124 E N 2.340 122.573 120.200 0.055 0.000 2.342 124 E HA 0.254 4.618 4.350 0.024 0.000 0.257 124 E C -0.465 176.163 176.600 0.047 0.000 1.150 124 E CA -0.922 55.516 56.400 0.064 0.000 0.926 124 E CB 0.625 30.369 29.700 0.073 0.000 1.074 124 E HN 0.242 nan 8.360 nan 0.000 0.449 125 R N 0.551 121.084 120.500 0.056 0.000 2.640 125 R HA -0.000 4.354 4.340 0.024 0.000 0.270 125 R C 1.323 177.661 176.300 0.063 0.000 1.024 125 R CA -0.365 55.767 56.100 0.053 0.000 1.085 125 R CB 0.255 30.605 30.300 0.083 0.000 0.963 125 R HN 0.565 nan 8.270 nan 0.000 0.426 126 I N 1.859 122.460 120.570 0.052 0.000 2.208 126 I HA -0.145 4.040 4.170 0.024 0.000 0.245 126 I C 1.227 177.403 176.117 0.098 0.000 1.097 126 I CA 1.561 62.902 61.300 0.067 0.000 1.363 126 I CB -1.026 37.016 38.000 0.072 0.000 1.051 126 I HN 0.385 nan 8.210 nan 0.000 0.413 127 V N -3.219 116.790 119.914 0.159 0.000 3.040 127 V HA 0.513 4.647 4.120 0.024 0.000 0.312 127 V C 0.361 176.646 176.094 0.319 0.000 1.115 127 V CA -0.837 61.592 62.300 0.215 0.000 0.998 127 V CB 1.788 33.819 31.823 0.347 0.000 1.042 127 V HN 0.445 nan 8.190 nan 0.000 0.433 128 H N 0.377 119.515 119.070 0.113 0.000 2.936 128 H HA -0.223 4.347 4.556 0.024 0.000 0.276 128 H C 1.589 176.966 175.328 0.081 0.000 1.216 128 H CA 0.698 56.804 56.048 0.097 0.000 1.132 128 H CB -1.282 28.526 29.762 0.076 0.000 1.303 128 H HN 1.189 nan 8.280 nan 0.000 0.370 129 A N 0.826 123.738 122.820 0.154 0.000 1.986 129 A HA -0.154 4.180 4.320 0.024 0.000 0.220 129 A C 1.703 179.376 177.584 0.149 0.000 1.171 129 A CA 1.654 53.768 52.037 0.129 0.000 0.640 129 A CB -0.136 18.920 19.000 0.094 0.000 0.811 129 A HN 0.300 nan 8.150 nan 0.000 0.451 130 R N -0.073 120.517 120.500 0.150 0.000 2.215 130 R HA 0.527 4.881 4.340 0.024 0.000 0.336 130 R C -0.252 176.168 176.300 0.201 0.000 0.996 130 R CA 0.617 56.823 56.100 0.177 0.000 0.847 130 R CB 0.513 30.903 30.300 0.152 0.000 1.127 130 R HN 0.308 nan 8.270 nan 0.000 0.465 131 G N 1.047 109.987 108.800 0.233 0.000 2.720 131 G HA2 0.510 4.485 3.960 0.024 0.000 0.295 131 G HA3 0.510 4.485 3.960 0.024 0.000 0.295 131 G C -1.580 173.454 174.900 0.223 0.000 1.437 131 G CA -0.577 44.615 45.100 0.155 0.000 0.886 131 G HN 0.503 nan 8.290 nan 0.000 0.509 132 S N -0.888 114.889 115.700 0.128 0.000 2.526 132 S HA 0.901 5.386 4.470 0.024 0.000 0.293 132 S C -0.127 174.477 174.600 0.006 0.000 1.092 132 S CA -0.269 58.073 58.200 0.237 0.000 0.980 132 S CB 1.829 65.269 63.200 0.400 0.000 1.048 132 S HN 1.527 nan 8.310 nan 0.000 0.483 133 A N 1.410 124.205 122.820 -0.042 0.000 2.515 133 A HA 1.020 5.355 4.320 0.024 0.000 0.296 133 A C -0.986 176.383 177.584 -0.358 0.000 1.094 133 A CA -0.760 51.022 52.037 -0.426 0.000 0.718 133 A CB 1.613 20.183 19.000 -0.716 0.000 1.307 133 A HN 1.349 nan 8.150 nan 0.000 0.408 134 A N 0.616 123.057 122.820 -0.632 0.000 2.604 134 A HA 0.706 5.040 4.320 0.024 0.000 0.295 134 A C -1.082 176.304 177.584 -0.330 0.000 1.067 134 A CA -0.663 51.178 52.037 -0.327 0.000 0.683 134 A CB 0.730 19.645 19.000 -0.142 0.000 1.281 134 A HN 0.881 nan 8.150 nan 0.000 0.407 135 H N -0.119 118.976 119.070 0.043 0.000 2.551 135 H HA 0.636 5.206 4.556 0.024 0.000 0.358 135 H C 0.649 175.977 175.328 0.001 0.000 1.151 135 H CA 1.059 57.184 56.048 0.129 0.000 1.374 135 H CB 1.751 31.591 29.762 0.130 0.000 1.473 135 H HN 1.120 nan 8.280 nan 0.000 0.574 136 G N 0.861 109.759 108.800 0.163 0.000 2.570 136 G HA2 0.378 4.352 3.960 0.024 0.000 0.310 136 G HA3 0.378 4.352 3.960 0.024 0.000 0.310 136 G C -2.015 173.006 174.900 0.202 0.000 1.266 136 G CA -0.711 44.437 45.100 0.081 0.000 0.825 136 G HN 0.624 nan 8.290 nan 0.000 0.483 137 Y N -1.851 118.480 120.300 0.051 0.000 2.615 137 Y HA 0.849 5.413 4.550 0.024 0.000 0.341 137 Y C -1.618 174.409 175.900 0.212 0.000 1.089 137 Y CA -1.929 56.245 58.100 0.123 0.000 1.049 137 Y CB 2.043 40.549 38.460 0.078 0.000 1.296 137 Y HN 0.784 nan 8.280 nan 0.000 0.470 138 F N 1.787 121.871 119.950 0.223 0.000 2.563 138 F HA 0.688 5.229 4.527 0.024 0.000 0.316 138 F C -1.285 174.705 175.800 0.317 0.000 1.076 138 F CA -0.623 57.516 58.000 0.232 0.000 0.921 138 F CB 2.410 41.681 39.000 0.450 0.000 1.209 138 F HN 0.788 nan 8.300 nan 0.000 0.462 139 Q N 6.607 125.805 119.800 -1.003 0.000 2.315 139 Q HA 0.503 4.858 4.340 0.024 0.000 0.273 139 Q C -2.949 172.386 176.000 -1.108 0.000 1.053 139 Q CA -2.369 53.004 55.803 -0.716 0.000 0.817 139 Q CB 3.233 31.852 28.738 -0.197 0.000 1.326 139 Q HN 0.377 nan 8.270 nan 0.000 0.423 140 P HA 0.084 nan 4.420 nan 0.000 0.279 140 P C -0.392 176.743 177.300 -0.274 0.000 1.252 140 P CA -0.038 62.794 63.100 -0.447 0.000 0.811 140 P CB 0.724 32.343 31.700 -0.136 0.000 1.035 141 Y N 0.702 120.944 120.300 -0.096 0.000 2.200 141 Y HA -0.112 4.452 4.550 0.024 0.000 0.290 141 Y C 1.570 177.443 175.900 -0.045 0.000 1.137 141 Y CA 0.848 58.912 58.100 -0.059 0.000 1.163 141 Y CB 0.099 38.534 38.460 -0.041 0.000 0.988 141 Y HN 0.372 nan 8.280 nan 0.000 0.518 142 K N -1.108 119.354 120.400 0.103 0.000 2.548 142 K HA 0.406 4.741 4.320 0.024 0.000 0.282 142 K C -0.897 175.708 176.600 0.008 0.000 1.006 142 K CA -0.941 55.376 56.287 0.049 0.000 0.892 142 K CB 1.590 34.120 32.500 0.052 0.000 1.499 142 K HN -0.240 nan 8.250 nan 0.000 0.433 143 S N 0.735 116.436 115.700 0.001 0.000 2.549 143 S HA 0.136 4.620 4.470 0.024 0.000 0.286 143 S C 0.461 175.050 174.600 -0.017 0.000 1.314 143 S CA -0.565 57.627 58.200 -0.014 0.000 1.062 143 S CB -0.175 63.020 63.200 -0.008 0.000 0.865 143 S HN 0.548 nan 8.310 nan 0.000 0.498 144 L N 4.642 125.844 121.223 -0.035 0.000 2.818 144 L HA 0.159 4.514 4.340 0.024 0.000 0.243 144 L C 1.947 178.802 176.870 -0.025 0.000 1.185 144 L CA -0.163 54.664 54.840 -0.021 0.000 0.988 144 L CB -0.254 41.798 42.059 -0.012 0.000 1.292 144 L HN 0.636 nan 8.230 nan 0.000 0.519 145 S N 0.503 116.185 115.700 -0.030 0.000 2.400 145 S HA -0.223 4.261 4.470 0.024 0.000 0.234 145 S C 1.363 175.947 174.600 -0.026 0.000 1.049 145 S CA 1.755 59.937 58.200 -0.030 0.000 1.039 145 S CB -0.116 63.071 63.200 -0.021 0.000 0.856 145 S HN 0.521 nan 8.310 nan 0.000 0.465 146 D N 0.975 121.365 120.400 -0.017 0.000 2.218 146 D HA -0.055 4.599 4.640 0.024 0.000 0.204 146 D C 1.676 177.962 176.300 -0.024 0.000 0.976 146 D CA 1.066 55.056 54.000 -0.017 0.000 0.853 146 D CB -0.158 40.637 40.800 -0.007 0.000 0.939 146 D HN 0.681 nan 8.370 nan 0.000 0.481 147 I N -4.269 116.287 120.570 -0.023 0.000 4.323 147 I HA 0.234 4.419 4.170 0.024 0.000 0.328 147 I C 0.384 176.462 176.117 -0.066 0.000 1.310 147 I CA -0.102 61.176 61.300 -0.036 0.000 1.186 147 I CB 1.239 39.238 38.000 -0.001 0.000 1.130 147 I HN -0.255 nan 8.210 nan 0.000 0.411 148 T N 1.571 116.087 114.554 -0.062 0.000 3.041 148 T HA 0.314 4.678 4.350 0.024 0.000 0.321 148 T C -0.109 174.539 174.700 -0.088 0.000 1.184 148 T CA -0.689 61.354 62.100 -0.094 0.000 1.050 148 T CB 1.726 70.526 68.868 -0.113 0.000 1.159 148 T HN 0.419 nan 8.240 nan 0.000 0.469 149 K N 2.530 122.876 120.400 -0.089 0.000 2.458 149 K HA 0.559 4.893 4.320 0.024 0.000 0.194 149 K C 0.772 177.335 176.600 -0.062 0.000 1.024 149 K CA -0.300 55.947 56.287 -0.066 0.000 1.108 149 K CB 0.191 32.657 32.500 -0.055 0.000 0.846 149 K HN 0.508 nan 8.250 nan 0.000 0.518 150 A N 2.234 124.994 122.820 -0.099 0.000 2.545 150 A HA -0.075 4.260 4.320 0.024 0.000 0.253 150 A C 0.605 178.158 177.584 -0.050 0.000 1.074 150 A CA 0.142 52.134 52.037 -0.075 0.000 0.760 150 A CB -0.014 18.874 19.000 -0.187 0.000 1.005 150 A HN 0.468 nan 8.150 nan 0.000 0.506 151 D N 2.260 122.702 120.400 0.071 0.000 2.149 151 D HA -0.237 4.417 4.640 0.024 0.000 0.198 151 D C 1.349 177.722 176.300 0.121 0.000 0.990 151 D CA 2.247 56.299 54.000 0.087 0.000 0.839 151 D CB -0.237 40.634 40.800 0.118 0.000 0.948 151 D HN 0.748 nan 8.370 nan 0.000 0.460 152 F N -0.654 119.319 119.950 0.038 0.000 2.546 152 F HA 0.143 4.685 4.527 0.025 0.000 0.298 152 F C 1.042 176.937 175.800 0.158 0.000 1.120 152 F CA 0.462 58.528 58.000 0.110 0.000 1.456 152 F CB -0.177 38.887 39.000 0.106 0.000 1.088 152 F HN -0.046 nan 8.300 nan 0.000 0.572 153 L N 0.749 121.661 121.223 -0.519 0.000 2.910 153 L HA 0.198 4.553 4.340 0.024 0.000 0.252 153 L C 1.798 178.573 176.870 -0.158 0.000 1.195 153 L CA 0.335 54.941 54.840 -0.391 0.000 1.003 153 L CB -0.004 41.708 42.059 -0.579 0.000 1.328 153 L HN 0.316 nan 8.230 nan 0.000 0.540 154 S N -2.562 113.087 115.700 -0.085 0.000 2.524 154 S HA 0.056 4.541 4.470 0.024 0.000 0.216 154 S C 0.391 174.982 174.600 -0.014 0.000 0.987 154 S CA -0.104 58.072 58.200 -0.041 0.000 0.909 154 S CB 0.214 63.405 63.200 -0.017 0.000 0.781 154 S HN 0.324 nan 8.310 nan 0.000 0.521 155 D N 0.888 121.287 120.400 -0.002 0.000 2.891 155 D HA 0.321 4.975 4.640 0.024 0.000 0.224 155 D C -2.520 173.785 176.300 0.008 0.000 1.321 155 D CA -1.861 52.145 54.000 0.010 0.000 0.929 155 D CB 2.220 43.034 40.800 0.024 0.000 1.551 155 D HN -0.133 nan 8.370 nan 0.000 0.574 156 P HA -0.038 nan 4.420 nan 0.000 0.228 156 P C 0.293 177.599 177.300 0.009 0.000 1.151 156 P CA 0.506 63.607 63.100 0.002 0.000 0.770 156 P CB 0.463 32.179 31.700 0.027 0.000 0.786 157 N N -0.272 118.440 118.700 0.019 0.000 2.280 157 N HA 0.024 4.779 4.740 0.024 0.000 0.192 157 N C 0.561 176.092 175.510 0.035 0.000 1.109 157 N CA 0.183 53.247 53.050 0.024 0.000 0.855 157 N CB 0.280 38.780 38.487 0.021 0.000 0.974 157 N HN 0.274 nan 8.380 nan 0.000 0.482 158 K N 1.783 122.213 120.400 0.050 0.000 2.285 158 K HA 0.222 4.557 4.320 0.024 0.000 0.286 158 K C -0.486 176.187 176.600 0.122 0.000 1.072 158 K CA -0.282 56.058 56.287 0.088 0.000 0.913 158 K CB 0.567 33.135 32.500 0.113 0.000 1.067 158 K HN -0.126 nan 8.250 nan 0.000 0.479 159 I N 3.681 124.329 120.570 0.129 0.000 2.353 159 I HA 0.170 4.354 4.170 0.024 0.000 0.293 159 I C 0.118 176.394 176.117 0.266 0.000 0.992 159 I CA -0.399 61.008 61.300 0.179 0.000 1.268 159 I CB 1.489 39.537 38.000 0.080 0.000 1.387 159 I HN 0.527 nan 8.210 nan 0.000 0.478 160 T N 7.675 122.476 114.554 0.412 0.000 2.786 160 T HA 0.386 4.751 4.350 0.024 0.000 0.283 160 T C -2.472 172.492 174.700 0.439 0.000 0.992 160 T CA -1.333 61.042 62.100 0.459 0.000 0.954 160 T CB 1.841 71.108 68.868 0.664 0.000 0.934 160 T HN 0.284 nan 8.240 nan 0.000 0.440 161 P HA 0.306 nan 4.420 nan 0.000 0.271 161 P C -0.704 176.833 177.300 0.395 0.000 1.218 161 P CA -0.440 62.860 63.100 0.333 0.000 0.780 161 P CB 0.601 32.429 31.700 0.214 0.000 0.901 162 V N -0.484 119.606 119.914 0.294 0.000 3.130 162 V HA 0.721 4.856 4.120 0.024 0.000 0.310 162 V C -1.351 174.911 176.094 0.280 0.000 1.158 162 V CA -0.953 61.420 62.300 0.122 0.000 1.029 162 V CB 2.251 33.919 31.823 -0.258 0.000 1.057 162 V HN 0.318 nan 8.190 nan 0.000 0.436 163 F N 1.793 121.727 119.950 -0.027 0.000 2.518 163 F HA 0.848 5.390 4.527 0.024 0.000 0.323 163 F C -0.802 174.901 175.800 -0.162 0.000 1.129 163 F CA -0.770 57.162 58.000 -0.114 0.000 0.920 163 F CB 1.936 40.895 39.000 -0.069 0.000 1.160 163 F HN 0.524 nan 8.300 nan 0.000 0.440 164 V N 6.522 125.987 119.914 -0.748 0.000 2.628 164 V HA 0.596 4.730 4.120 0.024 0.000 0.306 164 V C -0.656 174.767 176.094 -1.118 0.000 1.045 164 V CA -0.861 60.917 62.300 -0.870 0.000 0.905 164 V CB 1.992 33.227 31.823 -0.980 0.000 0.997 164 V HN 0.747 nan 8.190 nan 0.000 0.436 165 R N 3.004 122.842 120.500 -1.104 0.000 2.513 165 R HA 0.635 4.989 4.340 0.024 0.000 0.301 165 R C -1.717 173.984 176.300 -0.999 0.000 0.968 165 R CA -0.434 55.115 56.100 -0.918 0.000 0.872 165 R CB 1.342 31.258 30.300 -0.641 0.000 1.177 165 R HN 0.565 nan 8.270 nan 0.000 0.444 166 F N 1.579 121.102 119.950 -0.712 0.000 2.470 166 F HA 0.553 5.095 4.527 0.024 0.000 0.329 166 F C 0.422 175.846 175.800 -0.626 0.000 1.072 166 F CA -0.280 57.197 58.000 -0.873 0.000 0.989 166 F CB 2.228 40.243 39.000 -1.642 0.000 1.193 166 F HN 0.596 nan 8.300 nan 0.000 0.481 167 S N -1.296 114.323 115.700 -0.134 0.000 2.656 167 S HA 0.639 5.123 4.470 0.024 0.000 0.273 167 S C -0.568 174.169 174.600 0.229 0.000 1.168 167 S CA -0.881 57.375 58.200 0.094 0.000 0.817 167 S CB 1.393 64.706 63.200 0.188 0.000 1.146 167 S HN 0.725 nan 8.310 nan 0.000 0.475 168 T N -1.728 112.957 114.554 0.219 0.000 2.891 168 T HA 0.687 5.051 4.350 0.024 0.000 0.294 168 T C 0.744 175.413 174.700 -0.051 0.000 1.065 168 T CA -0.090 62.099 62.100 0.148 0.000 0.936 168 T CB 0.284 69.246 68.868 0.157 0.000 1.415 168 T HN 0.596 nan 8.240 nan 0.000 0.572 169 V N -0.186 119.665 119.914 -0.105 0.000 3.058 169 V HA 0.154 4.288 4.120 0.024 0.000 0.233 169 V C 2.682 178.708 176.094 -0.114 0.000 1.255 169 V CA 0.285 62.398 62.300 -0.313 0.000 1.267 169 V CB -0.204 31.513 31.823 -0.177 0.000 1.049 169 V HN 0.866 nan 8.190 nan 0.000 0.486 170 Q N 1.045 120.815 119.800 -0.050 0.000 2.163 170 Q HA 0.094 4.448 4.340 0.024 0.000 0.198 170 Q C 1.178 177.160 176.000 -0.029 0.000 0.954 170 Q CA 1.300 57.073 55.803 -0.051 0.000 0.851 170 Q CB 0.112 28.806 28.738 -0.074 0.000 0.928 170 Q HN 0.592 nan 8.270 nan 0.000 0.459 171 G N -0.332 108.465 108.800 -0.005 0.000 2.504 171 G HA2 0.465 4.440 3.960 0.024 0.000 0.288 171 G HA3 0.465 4.440 3.960 0.024 0.000 0.288 171 G C 0.008 174.920 174.900 0.020 0.000 1.182 171 G CA -0.007 45.094 45.100 0.001 0.000 0.894 171 G HN 0.300 nan 8.290 nan 0.000 0.521 172 G N -1.224 107.584 108.800 0.013 0.000 2.684 172 G HA2 0.463 4.437 3.960 0.024 0.000 0.255 172 G HA3 0.463 4.437 3.960 0.024 0.000 0.255 172 G C 1.338 176.272 174.900 0.056 0.000 1.219 172 G CA 0.460 45.577 45.100 0.029 0.000 0.901 172 G HN 1.080 nan 8.290 nan 0.000 0.548 173 A N -0.570 122.294 122.820 0.074 0.000 2.070 173 A HA 0.119 4.453 4.320 0.024 0.000 0.220 173 A C 2.209 179.839 177.584 0.076 0.000 1.159 173 A CA 1.956 54.057 52.037 0.106 0.000 0.656 173 A CB -0.335 18.747 19.000 0.136 0.000 0.800 173 A HN 1.129 nan 8.150 nan 0.000 0.453 174 G N -0.220 108.604 108.800 0.041 0.000 3.284 174 G HA2 0.337 4.312 3.960 0.024 0.000 0.236 174 G HA3 0.337 4.312 3.960 0.024 0.000 0.236 174 G C 0.655 175.561 174.900 0.010 0.000 1.158 174 G CA 0.644 45.753 45.100 0.015 0.000 0.774 174 G HN 0.652 nan 8.290 nan 0.000 0.545 175 S N -0.250 115.465 115.700 0.025 0.000 2.655 175 S HA 0.744 5.229 4.470 0.024 0.000 0.265 175 S C 0.432 175.051 174.600 0.032 0.000 1.240 175 S CA -0.113 58.098 58.200 0.018 0.000 0.986 175 S CB 1.691 64.902 63.200 0.020 0.000 0.985 175 S HN 0.548 nan 8.310 nan 0.000 0.562 176 A N 0.357 123.191 122.820 0.023 0.000 2.340 176 A HA 0.402 4.736 4.320 0.024 0.000 0.268 176 A C 0.639 178.249 177.584 0.043 0.000 1.100 176 A CA -0.573 51.474 52.037 0.017 0.000 0.803 176 A CB -0.093 18.900 19.000 -0.011 0.000 1.043 176 A HN 0.878 nan 8.150 nan 0.000 0.488 177 D N 0.618 121.034 120.400 0.027 0.000 2.137 177 D HA -0.071 4.584 4.640 0.024 0.000 0.202 177 D C 1.660 177.946 176.300 -0.023 0.000 0.970 177 D CA 2.240 56.269 54.000 0.050 0.000 0.837 177 D CB -0.147 40.644 40.800 -0.015 0.000 0.981 177 D HN 0.684 nan 8.370 nan 0.000 0.475 178 T N -0.330 114.134 114.554 -0.150 0.000 3.332 178 T HA 0.272 4.636 4.350 0.024 0.000 0.246 178 T C 0.868 175.563 174.700 -0.008 0.000 0.943 178 T CA -0.557 61.447 62.100 -0.159 0.000 0.922 178 T CB -0.902 67.794 68.868 -0.287 0.000 1.086 178 T HN -0.070 nan 8.240 nan 0.000 0.590 179 V N -1.084 118.873 119.914 0.072 0.000 3.287 179 V HA 0.379 4.514 4.120 0.024 0.000 0.306 179 V C 0.703 176.947 176.094 0.250 0.000 1.103 179 V CA -1.280 61.116 62.300 0.160 0.000 1.159 179 V CB 0.278 32.181 31.823 0.133 0.000 1.036 179 V HN 0.569 nan 8.190 nan 0.000 0.487 180 R N 1.760 122.464 120.500 0.341 0.000 2.216 180 R HA 0.468 4.823 4.340 0.024 0.000 0.332 180 R C -0.913 175.464 176.300 0.128 0.000 1.056 180 R CA -0.082 56.157 56.100 0.232 0.000 0.901 180 R CB 0.178 30.528 30.300 0.083 0.000 1.039 180 R HN 1.067 nan 8.270 nan 0.000 0.456 181 D N 3.183 123.671 120.400 0.147 0.000 2.710 181 D HA 0.189 4.843 4.640 0.024 0.000 0.276 181 D C -0.703 175.711 176.300 0.190 0.000 1.267 181 D CA -0.600 53.479 54.000 0.133 0.000 0.772 181 D CB 1.174 42.045 40.800 0.118 0.000 1.299 181 D HN 0.212 nan 8.370 nan 0.000 0.421 182 I N 1.231 121.933 120.570 0.220 0.000 2.720 182 I HA 0.277 4.462 4.170 0.024 0.000 0.287 182 I C 0.818 177.076 176.117 0.235 0.000 1.090 182 I CA -0.127 61.315 61.300 0.237 0.000 1.384 182 I CB 0.103 38.276 38.000 0.290 0.000 1.420 182 I HN 0.231 nan 8.210 nan 0.000 0.575 183 R N 2.626 123.288 120.500 0.270 0.000 2.514 183 R HA 0.551 4.905 4.340 0.024 0.000 0.301 183 R C -0.001 176.495 176.300 0.328 0.000 0.962 183 R CA -0.740 55.539 56.100 0.299 0.000 0.882 183 R CB 1.399 31.901 30.300 0.337 0.000 1.143 183 R HN 0.817 nan 8.270 nan 0.000 0.452 184 G N 1.019 110.029 108.800 0.352 0.000 2.476 184 G HA2 0.440 4.414 3.960 0.024 0.000 0.269 184 G HA3 0.440 4.414 3.960 0.024 0.000 0.269 184 G C -1.225 173.780 174.900 0.175 0.000 1.195 184 G CA -0.046 45.247 45.100 0.320 0.000 0.843 184 G HN 0.370 nan 8.290 nan 0.000 0.545 185 F N 1.663 121.544 119.950 -0.116 0.000 2.949 185 F HA 0.634 5.175 4.527 0.024 0.000 0.376 185 F C -0.208 175.318 175.800 -0.457 0.000 1.205 185 F CA -1.828 55.999 58.000 -0.288 0.000 1.155 185 F CB 0.944 39.887 39.000 -0.095 0.000 1.495 185 F HN 0.660 nan 8.300 nan 0.000 0.551 186 A N 3.191 125.769 122.820 -0.403 0.000 2.318 186 A HA 0.796 5.130 4.320 0.024 0.000 0.324 186 A C -0.645 176.535 177.584 -0.674 0.000 1.170 186 A CA -0.460 51.182 52.037 -0.658 0.000 0.810 186 A CB 0.863 19.106 19.000 -1.263 0.000 1.198 186 A HN 0.526 nan 8.150 nan 0.000 0.484 187 T N 2.405 116.733 114.554 -0.376 0.000 2.847 187 T HA 0.356 4.721 4.350 0.024 0.000 0.291 187 T C -0.382 174.156 174.700 -0.270 0.000 0.998 187 T CA -0.477 61.400 62.100 -0.373 0.000 0.967 187 T CB 0.938 69.523 68.868 -0.471 0.000 0.954 187 T HN 0.643 nan 8.240 nan 0.000 0.441 188 K N 3.740 124.050 120.400 -0.150 0.000 2.253 188 K HA 0.427 4.762 4.320 0.024 0.000 0.277 188 K C -1.210 175.042 176.600 -0.581 0.000 1.053 188 K CA -0.574 55.506 56.287 -0.344 0.000 0.892 188 K CB 0.307 32.519 32.500 -0.479 0.000 1.102 188 K HN 0.371 nan 8.250 nan 0.000 0.469 189 F N 4.321 123.980 119.950 -0.484 0.000 2.391 189 F HA 0.222 4.764 4.527 0.024 0.000 0.359 189 F C -0.385 175.209 175.800 -0.342 0.000 1.122 189 F CA -0.550 57.235 58.000 -0.358 0.000 1.120 189 F CB 0.639 39.353 39.000 -0.478 0.000 1.142 189 F HN 0.435 nan 8.300 nan 0.000 0.483 190 Y N 1.836 122.197 120.300 0.102 0.000 2.691 190 Y HA 0.225 4.789 4.550 0.023 0.000 0.338 190 Y C 1.009 176.970 175.900 0.102 0.000 1.148 190 Y CA -0.845 57.297 58.100 0.069 0.000 1.430 190 Y CB -0.146 38.343 38.460 0.047 0.000 1.303 190 Y HN 0.547 nan 8.280 nan 0.000 0.499 191 T N -2.191 112.466 114.554 0.171 0.000 2.874 191 T HA 0.178 4.542 4.350 0.024 0.000 0.281 191 T C 0.976 175.772 174.700 0.160 0.000 0.994 191 T CA -0.698 61.506 62.100 0.173 0.000 1.015 191 T CB 1.098 70.039 68.868 0.122 0.000 1.028 191 T HN 0.654 nan 8.240 nan 0.000 0.523 192 E N 0.048 120.346 120.200 0.163 0.000 2.478 192 E HA -0.035 4.329 4.350 0.024 0.000 0.198 192 E C 0.971 177.637 176.600 0.110 0.000 1.046 192 E CA 0.681 57.157 56.400 0.127 0.000 0.870 192 E CB 0.125 29.896 29.700 0.119 0.000 0.818 192 E HN 0.727 nan 8.360 nan 0.000 0.527 193 E N -0.042 120.225 120.200 0.113 0.000 2.734 193 E HA 0.264 4.629 4.350 0.024 0.000 0.211 193 E C 0.092 176.739 176.600 0.079 0.000 0.991 193 E CA -0.238 56.219 56.400 0.096 0.000 1.065 193 E CB 1.386 31.146 29.700 0.100 0.000 1.047 193 E HN 0.179 nan 8.360 nan 0.000 0.470 194 G N 1.027 109.869 108.800 0.069 0.000 2.355 194 G HA2 -0.081 3.893 3.960 0.024 0.000 0.619 194 G HA3 -0.081 3.893 3.960 0.024 0.000 0.619 194 G C -1.160 173.748 174.900 0.013 0.000 1.337 194 G CA -1.108 44.010 45.100 0.030 0.000 0.993 194 G HN 0.008 nan 8.290 nan 0.000 0.599 195 I N 0.728 121.270 120.570 -0.045 0.000 2.416 195 I HA 0.423 4.608 4.170 0.024 0.000 0.288 195 I C -0.073 176.052 176.117 0.014 0.000 1.051 195 I CA -0.240 61.008 61.300 -0.087 0.000 1.375 195 I CB 0.859 38.737 38.000 -0.203 0.000 1.407 195 I HN 0.453 nan 8.210 nan 0.000 0.516 196 F N 6.772 126.614 119.950 -0.180 0.000 2.426 196 F HA 0.439 4.981 4.527 0.024 0.000 0.348 196 F C -0.464 175.296 175.800 -0.066 0.000 1.124 196 F CA -1.233 56.656 58.000 -0.184 0.000 1.008 196 F CB 0.737 39.457 39.000 -0.466 0.000 1.139 196 F HN 0.349 nan 8.300 nan 0.000 0.452 197 D N 6.954 127.147 120.400 -0.346 0.000 2.329 197 D HA 0.225 4.879 4.640 0.024 0.000 0.232 197 D C -0.942 174.889 176.300 -0.781 0.000 1.088 197 D CA -0.156 53.595 54.000 -0.414 0.000 0.835 197 D CB 2.074 42.829 40.800 -0.075 0.000 1.078 197 D HN 0.426 nan 8.370 nan 0.000 0.495 198 L N 4.173 124.904 121.223 -0.819 0.000 2.272 198 L HA 0.297 4.652 4.340 0.024 0.000 0.284 198 L C -1.127 175.546 176.870 -0.329 0.000 1.045 198 L CA -0.753 53.685 54.840 -0.669 0.000 0.842 198 L CB 0.923 42.542 42.059 -0.732 0.000 1.224 198 L HN 0.048 nan 8.230 nan 0.000 0.430 199 V N 6.278 126.037 119.914 -0.258 0.000 2.259 199 V HA 0.739 4.873 4.120 0.024 0.000 0.267 199 V C 0.805 176.822 176.094 -0.130 0.000 1.051 199 V CA 0.004 62.163 62.300 -0.235 0.000 0.830 199 V CB 0.315 31.951 31.823 -0.312 0.000 1.080 199 V HN 0.888 nan 8.190 nan 0.000 0.467 200 G N 3.404 112.149 108.800 -0.092 0.000 3.108 200 G HA2 0.678 4.652 3.960 0.024 0.000 0.268 200 G HA3 0.678 4.652 3.960 0.024 0.000 0.268 200 G C -0.972 173.978 174.900 0.083 0.000 1.361 200 G CA -0.592 44.509 45.100 0.000 0.000 1.047 200 G HN 0.472 nan 8.290 nan 0.000 0.540 201 N N -1.022 117.772 118.700 0.158 0.000 2.761 201 N HA 0.251 5.005 4.740 0.024 0.000 0.283 201 N C 0.196 175.909 175.510 0.338 0.000 1.377 201 N CA -0.723 52.478 53.050 0.252 0.000 0.791 201 N CB 1.372 39.992 38.487 0.222 0.000 1.540 201 N HN 0.527 nan 8.380 nan 0.000 0.539 202 N N -1.264 117.649 118.700 0.355 0.000 2.268 202 N HA 0.001 4.756 4.740 0.024 0.000 0.204 202 N C -0.458 175.342 175.510 0.483 0.000 1.124 202 N CA -0.086 53.230 53.050 0.443 0.000 0.838 202 N CB -0.118 38.599 38.487 0.384 0.000 0.994 202 N HN 0.553 nan 8.380 nan 0.000 0.489 203 T N -3.576 111.079 114.554 0.169 0.000 2.906 203 T HA 0.463 4.828 4.350 0.024 0.000 0.295 203 T C -2.676 171.397 174.700 -1.045 0.000 1.075 203 T CA -1.577 60.171 62.100 -0.588 0.000 1.005 203 T CB 2.992 71.409 68.868 -0.752 0.000 1.136 203 T HN -0.232 nan 8.240 nan 0.000 0.498 204 P HA 0.230 nan 4.420 nan 0.000 0.255 204 P C 0.315 177.091 177.300 -0.873 0.000 1.248 204 P CA -0.014 62.164 63.100 -1.537 0.000 0.807 204 P CB -0.095 30.642 31.700 -1.605 0.000 1.150 205 I N -4.392 115.648 120.570 -0.884 0.000 3.467 205 I HA 0.575 4.759 4.170 0.024 0.000 0.314 205 I C -1.444 174.399 176.117 -0.456 0.000 1.177 205 I CA -1.921 59.007 61.300 -0.620 0.000 0.943 205 I CB 1.348 38.937 38.000 -0.685 0.000 1.338 205 I HN -0.230 nan 8.210 nan 0.000 0.482 206 F N -0.063 119.590 119.950 -0.496 0.000 2.631 206 F HA 0.531 5.072 4.527 0.024 0.000 0.328 206 F C 0.229 175.771 175.800 -0.430 0.000 1.067 206 F CA -0.747 56.997 58.000 -0.427 0.000 0.969 206 F CB 1.957 40.841 39.000 -0.193 0.000 1.332 206 F HN 0.368 nan 8.300 nan 0.000 0.490 207 F N 2.279 121.371 119.950 -1.429 0.000 2.234 207 F HA 0.007 4.549 4.527 0.024 0.000 0.299 207 F C 0.778 176.272 175.800 -0.510 0.000 1.087 207 F CA 1.019 58.413 58.000 -1.010 0.000 1.340 207 F CB -0.259 37.757 39.000 -1.640 0.000 1.031 207 F HN 0.156 nan 8.300 nan 0.000 0.500 208 I N -3.274 117.263 120.570 -0.055 0.000 3.108 208 I HA 0.380 4.564 4.170 0.024 0.000 0.312 208 I C 0.414 176.672 176.117 0.236 0.000 1.095 208 I CA -0.873 60.510 61.300 0.139 0.000 1.000 208 I CB 1.822 39.973 38.000 0.252 0.000 1.229 208 I HN -0.157 nan 8.210 nan 0.000 0.454 209 Q N 0.153 120.091 119.800 0.230 0.000 2.259 209 Q HA 0.133 4.487 4.340 0.024 0.000 0.201 209 Q C -0.300 175.866 176.000 0.277 0.000 0.938 209 Q CA 0.644 56.619 55.803 0.287 0.000 0.872 209 Q CB 0.458 29.433 28.738 0.395 0.000 0.971 209 Q HN 0.645 nan 8.270 nan 0.000 0.494 210 D N -1.009 119.531 120.400 0.233 0.000 2.505 210 D HA 0.303 4.957 4.640 0.024 0.000 0.249 210 D C 0.072 176.497 176.300 0.209 0.000 1.082 210 D CA -0.223 53.885 54.000 0.180 0.000 0.839 210 D CB 1.813 42.691 40.800 0.131 0.000 1.317 210 D HN 0.057 nan 8.370 nan 0.000 0.497 211 A N 3.492 126.406 122.820 0.157 0.000 2.032 211 A HA -0.259 4.075 4.320 0.024 0.000 0.221 211 A C 1.805 179.510 177.584 0.202 0.000 1.165 211 A CA 1.819 53.943 52.037 0.146 0.000 0.645 211 A CB -0.823 18.208 19.000 0.051 0.000 0.807 211 A HN 0.824 nan 8.150 nan 0.000 0.453 212 H N 0.013 119.140 119.070 0.096 0.000 2.457 212 H HA -0.030 4.540 4.556 0.024 0.000 0.297 212 H C 1.558 176.961 175.328 0.126 0.000 1.092 212 H CA 1.920 58.018 56.048 0.083 0.000 1.309 212 H CB 0.050 29.838 29.762 0.044 0.000 1.382 212 H HN 0.437 nan 8.280 nan 0.000 0.535 213 K N -0.675 119.850 120.400 0.209 0.000 2.404 213 K HA -0.033 4.301 4.320 0.024 0.000 0.194 213 K C 1.402 178.138 176.600 0.226 0.000 1.023 213 K CA -0.011 56.396 56.287 0.199 0.000 1.094 213 K CB 0.079 32.754 32.500 0.292 0.000 0.841 213 K HN 0.287 nan 8.250 nan 0.000 0.523 214 F N 3.014 123.022 119.950 0.096 0.000 2.095 214 F HA -0.157 4.384 4.527 0.023 0.000 0.298 214 F C -0.996 174.818 175.800 0.023 0.000 1.104 214 F CA 1.391 59.471 58.000 0.134 0.000 1.232 214 F CB -0.388 38.672 39.000 0.100 0.000 0.987 214 F HN 0.024 nan 8.300 nan 0.000 0.475 215 P HA -0.117 nan 4.420 nan 0.000 0.221 215 P C 0.955 177.936 177.300 -0.531 0.000 1.150 215 P CA 1.550 64.408 63.100 -0.403 0.000 0.800 215 P CB -0.056 31.414 31.700 -0.384 0.000 0.787 216 D N -1.134 119.097 120.400 -0.282 0.000 2.084 216 D HA -0.157 4.498 4.640 0.024 0.000 0.196 216 D C 1.799 177.796 176.300 -0.505 0.000 0.985 216 D CA 1.061 54.933 54.000 -0.214 0.000 0.826 216 D CB -0.860 39.993 40.800 0.087 0.000 0.978 216 D HN 0.147 nan 8.370 nan 0.000 0.456 217 F N 1.936 121.470 119.950 -0.693 0.000 2.069 217 F HA -0.241 4.300 4.527 0.024 0.000 0.298 217 F C 2.319 177.732 175.800 -0.645 0.000 1.113 217 F CA 1.246 58.656 58.000 -0.983 0.000 1.214 217 F CB -0.271 38.387 39.000 -0.570 0.000 0.978 217 F HN -0.248 nan 8.300 nan 0.000 0.474 218 V N 0.316 119.821 119.914 -0.681 0.000 2.343 218 V HA -0.359 3.775 4.120 0.024 0.000 0.247 218 V C 2.293 178.158 176.094 -0.382 0.000 1.051 218 V CA 2.486 64.417 62.300 -0.614 0.000 1.036 218 V CB -1.131 30.348 31.823 -0.573 0.000 0.654 218 V HN 0.482 nan 8.190 nan 0.000 0.451 219 H N -0.304 118.535 119.070 -0.384 0.000 2.387 219 H HA -0.154 4.417 4.556 0.024 0.000 0.299 219 H C 2.312 177.490 175.328 -0.251 0.000 1.099 219 H CA 1.061 56.964 56.048 -0.242 0.000 1.315 219 H CB 0.042 29.712 29.762 -0.154 0.000 1.380 219 H HN 0.493 nan 8.280 nan 0.000 0.513 220 A N 0.325 122.965 122.820 -0.300 0.000 1.930 220 A HA -0.100 4.234 4.320 0.024 0.000 0.217 220 A C 2.511 179.953 177.584 -0.236 0.000 1.175 220 A CA 1.260 53.124 52.037 -0.289 0.000 0.627 220 A CB -0.663 18.035 19.000 -0.503 0.000 0.815 220 A HN 0.295 nan 8.150 nan 0.000 0.443 221 V N -0.067 119.578 119.914 -0.449 0.000 2.591 221 V HA -0.021 4.113 4.120 0.024 0.000 0.249 221 V C 0.944 177.010 176.094 -0.047 0.000 1.053 221 V CA 0.923 63.035 62.300 -0.314 0.000 1.068 221 V CB -0.449 30.991 31.823 -0.638 0.000 0.689 221 V HN 0.347 nan 8.190 nan 0.000 0.462 222 K N 0.981 121.314 120.400 -0.111 0.000 2.187 222 K HA 0.194 4.528 4.320 0.024 0.000 0.247 222 K C -2.271 174.281 176.600 -0.079 0.000 1.019 222 K CA -1.531 54.706 56.287 -0.083 0.000 0.893 222 K CB -0.390 32.053 32.500 -0.094 0.000 1.025 222 K HN 0.181 nan 8.250 nan 0.000 0.500 223 P HA -0.029 nan 4.420 nan 0.000 0.265 223 P C -0.542 176.694 177.300 -0.107 0.000 1.187 223 P CA 0.404 63.371 63.100 -0.222 0.000 0.766 223 P CB 0.335 31.911 31.700 -0.207 0.000 0.820 224 E N 4.818 124.994 120.200 -0.041 0.000 2.392 224 E HA 0.008 4.373 4.350 0.024 0.000 0.264 224 E C -1.285 175.385 176.600 0.117 0.000 1.024 224 E CA -1.336 55.144 56.400 0.134 0.000 0.903 224 E CB 0.179 30.081 29.700 0.336 0.000 0.963 224 E HN 0.426 nan 8.360 nan 0.000 0.432 225 P HA -0.182 nan 4.420 nan 0.000 0.225 225 P C 0.965 178.340 177.300 0.125 0.000 1.156 225 P CA 1.245 64.386 63.100 0.068 0.000 0.787 225 P CB 0.074 31.787 31.700 0.022 0.000 0.802 226 H N -0.379 118.729 119.070 0.064 0.000 2.299 226 H HA -0.101 4.470 4.556 0.024 0.000 0.302 226 H C 1.525 176.952 175.328 0.166 0.000 1.078 226 H CA 1.559 57.634 56.048 0.046 0.000 1.323 226 H CB -1.479 28.241 29.762 -0.071 0.000 1.381 226 H HN 0.308 nan 8.280 nan 0.000 0.498 227 W N 0.151 121.122 121.300 -0.549 0.000 2.870 227 W HA 0.691 5.365 4.660 0.023 0.000 0.358 227 W C 0.427 176.784 176.519 -0.270 0.000 1.043 227 W CA -1.034 56.082 57.345 -0.381 0.000 1.692 227 W CB -0.746 28.457 29.460 -0.429 0.000 1.100 227 W HN 0.463 nan 8.180 nan 0.000 0.557 228 A N 1.386 124.179 122.820 -0.044 0.000 2.578 228 A HA -0.117 4.217 4.320 0.024 0.000 0.298 228 A C -0.471 176.884 177.584 -0.381 0.000 1.472 228 A CA 1.451 53.386 52.037 -0.169 0.000 0.734 228 A CB -2.384 16.547 19.000 -0.115 0.000 1.091 228 A HN 0.485 nan 8.150 nan 0.000 0.426 229 I N 0.590 120.803 120.570 -0.594 0.000 2.722 229 I HA 0.523 4.707 4.170 0.024 0.000 0.295 229 I C -2.522 173.284 176.117 -0.518 0.000 1.161 229 I CA -2.303 58.541 61.300 -0.760 0.000 1.032 229 I CB 3.068 40.110 38.000 -1.597 0.000 1.244 229 I HN 0.228 nan 8.210 nan 0.000 0.421 230 P HA 0.294 nan 4.420 nan 0.000 0.287 230 P C -1.557 175.587 177.300 -0.261 0.000 1.279 230 P CA -0.765 62.121 63.100 -0.357 0.000 0.867 230 P CB 1.509 33.080 31.700 -0.215 0.000 1.127 231 Q N 0.686 120.377 119.800 -0.182 0.000 2.267 231 Q HA 0.484 4.838 4.340 0.024 0.000 0.255 231 Q C 1.080 177.046 176.000 -0.057 0.000 0.923 231 Q CA 0.990 56.723 55.803 -0.116 0.000 0.925 231 Q CB -0.296 28.384 28.738 -0.097 0.000 1.195 231 Q HN 0.824 nan 8.270 nan 0.000 0.417 232 G N 3.214 111.991 108.800 -0.038 0.000 2.160 232 G HA2 -0.283 3.691 3.960 0.024 0.000 0.251 232 G HA3 -0.283 3.691 3.960 0.024 0.000 0.251 232 G C -0.415 174.502 174.900 0.028 0.000 1.008 232 G CA 0.474 45.577 45.100 0.005 0.000 0.724 232 G HN 0.543 nan 8.290 nan 0.000 0.514 233 Q N -0.889 118.916 119.800 0.008 0.000 2.331 233 Q HA 0.567 4.921 4.340 0.024 0.000 0.272 233 Q C 0.776 176.785 176.000 0.015 0.000 1.062 233 Q CA -0.149 55.683 55.803 0.048 0.000 0.806 233 Q CB 1.825 30.638 28.738 0.124 0.000 1.312 233 Q HN 0.424 nan 8.270 nan 0.000 0.431 234 S N -0.461 115.129 115.700 -0.183 0.000 2.593 234 S HA 0.188 4.672 4.470 0.024 0.000 0.217 234 S C 0.877 175.378 174.600 -0.165 0.000 0.966 234 S CA -0.035 57.806 58.200 -0.597 0.000 0.914 234 S CB 0.273 62.539 63.200 -1.556 0.000 0.776 234 S HN 0.595 nan 8.310 nan 0.000 0.523 235 A N 2.348 125.280 122.820 0.186 0.000 3.037 235 A HA 0.541 4.876 4.320 0.024 0.000 0.272 235 A C 0.106 177.912 177.584 0.370 0.000 1.723 235 A CA -0.602 51.626 52.037 0.319 0.000 1.413 235 A CB -1.157 17.971 19.000 0.214 0.000 1.112 235 A HN 0.886 nan 8.150 nan 0.000 0.606 236 H N -3.410 115.856 119.070 0.328 0.000 3.003 236 H HA 0.484 5.055 4.556 0.024 0.000 0.327 236 H C -0.313 175.220 175.328 0.342 0.000 1.353 236 H CA -0.715 55.490 56.048 0.262 0.000 1.142 236 H CB 0.220 30.095 29.762 0.188 0.000 1.864 236 H HN 0.064 nan 8.280 nan 0.000 0.529 237 D N 0.171 120.753 120.400 0.304 0.000 2.104 237 D HA -0.197 4.458 4.640 0.024 0.000 0.194 237 D C 2.105 178.485 176.300 0.134 0.000 0.994 237 D CA 3.098 57.214 54.000 0.192 0.000 0.830 237 D CB -0.450 40.435 40.800 0.142 0.000 0.959 237 D HN 0.782 nan 8.370 nan 0.000 0.452 238 T N -1.630 113.004 114.554 0.133 0.000 2.867 238 T HA -0.184 4.180 4.350 0.024 0.000 0.268 238 T C 1.904 176.566 174.700 -0.063 0.000 1.057 238 T CA 0.645 62.788 62.100 0.072 0.000 1.136 238 T CB -0.683 68.269 68.868 0.140 0.000 0.874 238 T HN 0.162 nan 8.240 nan 0.000 0.466 239 F N 0.634 120.315 119.950 -0.448 0.000 2.113 239 F HA 0.116 4.657 4.527 0.024 0.000 0.297 239 F C 1.802 177.358 175.800 -0.407 0.000 1.103 239 F CA 0.622 58.267 58.000 -0.591 0.000 1.248 239 F CB -0.508 37.934 39.000 -0.930 0.000 0.999 239 F HN 0.137 nan 8.300 nan 0.000 0.475 240 W N 0.577 121.827 121.300 -0.083 0.000 2.467 240 W HA -0.054 4.621 4.660 0.024 0.000 0.275 240 W C 2.257 178.704 176.519 -0.119 0.000 1.239 240 W CA 0.926 58.208 57.345 -0.106 0.000 1.266 240 W CB -0.558 28.925 29.460 0.037 0.000 1.112 240 W HN 0.060 nan 8.180 nan 0.000 0.576 241 D N -0.446 120.011 120.400 0.096 0.000 2.092 241 D HA -0.303 4.351 4.640 0.024 0.000 0.193 241 D C 1.883 178.196 176.300 0.023 0.000 0.994 241 D CA 1.552 55.585 54.000 0.056 0.000 0.828 241 D CB -0.551 40.291 40.800 0.069 0.000 0.963 241 D HN 0.193 nan 8.370 nan 0.000 0.450 242 Y N 0.355 120.559 120.300 -0.160 0.000 2.145 242 Y HA -0.181 4.383 4.550 0.024 0.000 0.286 242 Y C 2.257 178.028 175.900 -0.214 0.000 1.145 242 Y CA 1.451 59.441 58.100 -0.183 0.000 1.148 242 Y CB -0.416 37.899 38.460 -0.242 0.000 0.981 242 Y HN -0.105 nan 8.280 nan 0.000 0.507 243 V N 0.136 119.945 119.914 -0.175 0.000 2.343 243 V HA -0.319 3.816 4.120 0.024 0.000 0.247 243 V C 2.604 178.649 176.094 -0.081 0.000 1.051 243 V CA 2.176 64.355 62.300 -0.202 0.000 1.036 243 V CB -1.094 30.488 31.823 -0.401 0.000 0.654 243 V HN 0.673 nan 8.190 nan 0.000 0.451 244 S N -0.253 115.444 115.700 -0.004 0.000 2.419 244 S HA -0.069 4.415 4.470 0.024 0.000 0.233 244 S C 1.690 176.266 174.600 -0.041 0.000 1.016 244 S CA 1.360 59.581 58.200 0.036 0.000 0.974 244 S CB -0.425 62.822 63.200 0.079 0.000 0.786 244 S HN 0.556 nan 8.310 nan 0.000 0.492 245 L N 0.014 121.162 121.223 -0.125 0.000 2.607 245 L HA 0.331 4.685 4.340 0.024 0.000 0.228 245 L C 0.481 177.181 176.870 -0.284 0.000 1.123 245 L CA 0.099 54.837 54.840 -0.170 0.000 0.890 245 L CB 0.068 42.028 42.059 -0.165 0.000 1.103 245 L HN 0.237 nan 8.230 nan 0.000 0.468 246 Q N 0.311 119.897 119.800 -0.356 0.000 3.090 246 Q HA 0.235 4.590 4.340 0.024 0.000 0.241 246 Q C -1.960 173.820 176.000 -0.367 0.000 0.958 246 Q CA -1.420 54.127 55.803 -0.426 0.000 0.715 246 Q CB 1.616 29.985 28.738 -0.615 0.000 1.298 246 Q HN -0.019 nan 8.270 nan 0.000 0.468 247 P HA -0.216 nan 4.420 nan 0.000 0.222 247 P C 1.062 178.055 177.300 -0.513 0.000 1.147 247 P CA 1.054 63.906 63.100 -0.413 0.000 0.790 247 P CB 0.268 31.700 31.700 -0.446 0.000 0.780 248 E N 0.933 120.666 120.200 -0.777 0.000 2.233 248 E HA -0.235 4.129 4.350 0.024 0.000 0.199 248 E C 1.514 178.055 176.600 -0.099 0.000 1.004 248 E CA 2.140 58.356 56.400 -0.306 0.000 0.819 248 E CB -1.462 28.136 29.700 -0.169 0.000 0.738 248 E HN 0.304 nan 8.360 nan 0.000 0.478 249 T N -0.405 114.094 114.554 -0.092 0.000 2.929 249 T HA -0.064 4.300 4.350 0.024 0.000 0.271 249 T C 1.987 176.742 174.700 0.092 0.000 1.085 249 T CA 0.909 63.020 62.100 0.020 0.000 1.125 249 T CB -0.377 68.525 68.868 0.057 0.000 0.874 249 T HN 0.179 nan 8.240 nan 0.000 0.494 250 L N -0.084 121.201 121.223 0.104 0.000 2.141 250 L HA -0.037 4.318 4.340 0.024 0.000 0.209 250 L C 2.851 179.888 176.870 0.278 0.000 1.094 250 L CA 1.619 56.598 54.840 0.232 0.000 0.763 250 L CB -0.725 41.491 42.059 0.262 0.000 0.908 250 L HN 0.479 nan 8.230 nan 0.000 0.437 251 H N -0.093 119.018 119.070 0.070 0.000 2.299 251 H HA -0.177 4.393 4.556 0.024 0.000 0.302 251 H C 2.127 177.445 175.328 -0.017 0.000 1.078 251 H CA 1.657 57.744 56.048 0.065 0.000 1.323 251 H CB 0.280 30.045 29.762 0.005 0.000 1.381 251 H HN 0.366 nan 8.280 nan 0.000 0.498 252 N N -0.024 118.462 118.700 -0.356 0.000 2.270 252 N HA -0.123 4.631 4.740 0.024 0.000 0.181 252 N C 1.972 177.277 175.510 -0.342 0.000 1.016 252 N CA 0.718 53.335 53.050 -0.722 0.000 0.870 252 N CB 0.296 37.888 38.487 -1.492 0.000 0.979 252 N HN 0.115 nan 8.380 nan 0.000 0.431 253 V N 1.903 121.846 119.914 0.049 0.000 2.282 253 V HA -0.291 3.844 4.120 0.024 0.000 0.249 253 V C 2.556 178.775 176.094 0.208 0.000 1.057 253 V CA 1.371 63.856 62.300 0.309 0.000 1.032 253 V CB -0.413 31.637 31.823 0.379 0.000 0.645 253 V HN 0.406 nan 8.190 nan 0.000 0.447 254 M N -1.619 118.146 119.600 0.274 0.000 2.073 254 M HA -0.241 4.254 4.480 0.024 0.000 0.258 254 M C 2.085 178.380 176.300 -0.007 0.000 1.070 254 M CA 2.041 57.507 55.300 0.276 0.000 1.103 254 M CB -1.324 31.468 32.600 0.321 0.000 1.321 254 M HN 0.474 nan 8.290 nan 0.000 0.405 255 W N 0.482 121.497 121.300 -0.474 0.000 2.318 255 W HA -0.154 4.521 4.660 0.024 0.000 0.313 255 W C 2.833 179.276 176.519 -0.126 0.000 1.221 255 W CA 2.107 59.149 57.345 -0.505 0.000 1.266 255 W CB -1.096 28.003 29.460 -0.601 0.000 1.150 255 W HN 0.321 nan 8.180 nan 0.000 0.496 256 A N -0.917 121.978 122.820 0.125 0.000 1.969 256 A HA -0.162 4.173 4.320 0.024 0.000 0.218 256 A C 1.925 179.557 177.584 0.079 0.000 1.169 256 A CA 1.588 53.707 52.037 0.135 0.000 0.635 256 A CB -0.586 18.534 19.000 0.200 0.000 0.810 256 A HN 0.097 nan 8.150 nan 0.000 0.445 257 M N 0.847 120.451 119.600 0.007 0.000 2.394 257 M HA -0.004 4.490 4.480 0.024 0.000 0.264 257 M C 1.452 177.800 176.300 0.079 0.000 1.073 257 M CA 0.840 56.089 55.300 -0.084 0.000 1.111 257 M CB -1.458 30.840 32.600 -0.504 0.000 1.401 257 M HN 0.542 nan 8.290 nan 0.000 0.448 258 S N 0.138 115.940 115.700 0.170 0.000 2.641 258 S HA 0.112 4.596 4.470 0.024 0.000 0.261 258 S C 0.713 175.441 174.600 0.213 0.000 1.257 258 S CA -0.562 57.777 58.200 0.232 0.000 0.983 258 S CB 0.866 64.242 63.200 0.292 0.000 0.990 258 S HN 0.181 nan 8.310 nan 0.000 0.572 259 D N 0.232 120.778 120.400 0.243 0.000 2.384 259 D HA -0.007 4.647 4.640 0.024 0.000 0.222 259 D C 1.860 178.302 176.300 0.237 0.000 0.976 259 D CA 0.377 54.543 54.000 0.277 0.000 0.915 259 D CB -0.172 40.865 40.800 0.396 0.000 0.896 259 D HN 0.384 nan 8.370 nan 0.000 0.523 260 R N 0.245 120.874 120.500 0.215 0.000 2.127 260 R HA -0.071 4.283 4.340 0.024 0.000 0.238 260 R C 2.117 178.571 176.300 0.256 0.000 1.134 260 R CA 1.097 57.349 56.100 0.253 0.000 0.975 260 R CB -0.885 29.619 30.300 0.341 0.000 0.865 260 R HN 0.198 nan 8.270 nan 0.000 0.447 261 G N 1.347 110.285 108.800 0.230 0.000 2.679 261 G HA2 -0.036 3.939 3.960 0.024 0.000 0.212 261 G HA3 -0.036 3.939 3.960 0.024 0.000 0.212 261 G C 1.021 176.061 174.900 0.233 0.000 1.137 261 G CA 0.186 45.414 45.100 0.214 0.000 0.787 261 G HN 0.437 nan 8.290 nan 0.000 0.534 262 I N -2.350 118.368 120.570 0.248 0.000 2.926 262 I HA 0.351 4.535 4.170 0.024 0.000 0.295 262 I C -2.855 173.416 176.117 0.257 0.000 1.463 262 I CA -2.581 58.874 61.300 0.258 0.000 0.892 262 I CB 1.752 39.912 38.000 0.267 0.000 1.874 262 I HN -0.269 nan 8.210 nan 0.000 0.620 263 P HA 0.053 nan 4.420 nan 0.000 0.269 263 P C 0.570 178.004 177.300 0.224 0.000 1.215 263 P CA -0.146 63.057 63.100 0.172 0.000 0.780 263 P CB 1.140 32.868 31.700 0.046 0.000 0.898 264 R N 1.718 122.336 120.500 0.197 0.000 2.115 264 R HA 0.015 4.369 4.340 0.024 0.000 0.230 264 R C 0.407 176.847 176.300 0.233 0.000 1.111 264 R CA 1.367 57.632 56.100 0.276 0.000 0.976 264 R CB -0.519 29.910 30.300 0.215 0.000 0.870 264 R HN 0.564 nan 8.270 nan 0.000 0.445 265 S N -2.795 112.825 115.700 -0.134 0.000 2.565 265 S HA 0.206 4.690 4.470 0.024 0.000 0.274 265 S C -0.308 173.934 174.600 -0.597 0.000 1.144 265 S CA -0.825 57.118 58.200 -0.428 0.000 0.849 265 S CB 0.017 63.109 63.200 -0.179 0.000 1.103 265 S HN 0.096 nan 8.310 nan 0.000 0.455 266 Y N 2.319 122.226 120.300 -0.656 0.000 2.384 266 Y HA 0.021 4.585 4.550 0.024 0.000 0.289 266 Y C 2.319 177.861 175.900 -0.597 0.000 1.152 266 Y CA 1.222 58.817 58.100 -0.841 0.000 1.258 266 Y CB -0.320 37.201 38.460 -1.564 0.000 0.979 266 Y HN 0.564 nan 8.280 nan 0.000 0.549 267 R N -0.488 119.864 120.500 -0.246 0.000 2.280 267 R HA -0.018 4.336 4.340 0.024 0.000 0.207 267 R C 1.024 177.275 176.300 -0.082 0.000 1.043 267 R CA 1.432 57.448 56.100 -0.140 0.000 1.006 267 R CB -0.382 29.829 30.300 -0.149 0.000 0.885 267 R HN 0.332 nan 8.270 nan 0.000 0.467 268 T N -1.867 112.654 114.554 -0.054 0.000 3.355 268 T HA 0.351 4.716 4.350 0.024 0.000 0.276 268 T C 0.150 174.887 174.700 0.062 0.000 1.003 268 T CA -0.708 61.393 62.100 0.002 0.000 0.943 268 T CB -0.051 68.805 68.868 -0.021 0.000 1.158 268 T HN 0.082 nan 8.240 nan 0.000 0.513 269 M N -1.176 118.502 119.600 0.130 0.000 2.658 269 M HA 0.745 5.239 4.480 0.024 0.000 0.295 269 M C -1.136 175.347 176.300 0.305 0.000 1.248 269 M CA -0.921 54.503 55.300 0.206 0.000 0.843 269 M CB 2.076 34.796 32.600 0.200 0.000 1.749 269 M HN -0.149 nan 8.290 nan 0.000 0.464 270 E N 0.243 120.620 120.200 0.294 0.000 2.314 270 E HA 0.659 5.023 4.350 0.024 0.000 0.262 270 E C -0.355 176.317 176.600 0.120 0.000 1.093 270 E CA -0.537 55.964 56.400 0.169 0.000 0.908 270 E CB 1.786 31.513 29.700 0.045 0.000 1.091 270 E HN 0.849 nan 8.360 nan 0.000 0.425 271 G N 0.794 109.502 108.800 -0.154 0.000 2.519 271 G HA2 0.656 4.630 3.960 0.024 0.000 0.307 271 G HA3 0.656 4.630 3.960 0.024 0.000 0.307 271 G C -1.463 173.033 174.900 -0.673 0.000 1.266 271 G CA -0.452 44.566 45.100 -0.137 0.000 0.970 271 G HN 0.305 nan 8.290 nan 0.000 0.481 272 F N -0.725 119.182 119.950 -0.071 0.000 2.628 272 F HA 0.482 5.023 4.527 0.024 0.000 0.309 272 F C 1.031 176.748 175.800 -0.139 0.000 1.108 272 F CA -0.501 57.372 58.000 -0.211 0.000 0.971 272 F CB 2.412 41.239 39.000 -0.289 0.000 1.279 272 F HN 0.622 nan 8.300 nan 0.000 0.441 273 G N 0.605 109.477 108.800 0.120 0.000 2.712 273 G HA2 0.293 4.267 3.960 0.024 0.000 0.212 273 G HA3 0.293 4.267 3.960 0.024 0.000 0.212 273 G C 1.193 176.137 174.900 0.072 0.000 1.142 273 G CA 0.767 45.987 45.100 0.200 0.000 0.789 273 G HN 1.340 nan 8.290 nan 0.000 0.535 274 A N -0.163 122.615 122.820 -0.069 0.000 1.344 274 A HA -0.279 4.056 4.320 0.024 0.000 0.222 274 A C 0.970 178.387 177.584 -0.278 0.000 0.391 274 A CA 1.347 53.209 52.037 -0.292 0.000 1.096 274 A CB -2.042 16.678 19.000 -0.466 0.000 1.468 274 A HN 0.518 nan 8.150 nan 0.000 0.722 275 H N 1.183 120.246 119.070 -0.012 0.000 2.707 275 H HA 0.378 4.948 4.556 0.024 0.000 0.359 275 H C 0.330 175.579 175.328 -0.132 0.000 1.113 275 H CA 0.830 56.786 56.048 -0.153 0.000 1.422 275 H CB 0.041 29.550 29.762 -0.421 0.000 1.443 275 H HN 0.523 nan 8.280 nan 0.000 0.591 276 T N 4.295 118.810 114.554 -0.064 0.000 2.799 276 T HA 0.169 4.533 4.350 0.024 0.000 0.296 276 T C 0.373 175.004 174.700 -0.115 0.000 0.947 276 T CA 0.189 62.240 62.100 -0.082 0.000 1.141 276 T CB -0.328 68.444 68.868 -0.159 0.000 0.891 276 T HN 0.249 nan 8.240 nan 0.000 0.533 277 F N 1.557 121.426 119.950 -0.135 0.000 2.544 277 F HA 0.657 5.198 4.527 0.024 0.000 0.378 277 F C 1.099 176.840 175.800 -0.098 0.000 1.112 277 F CA -1.369 56.579 58.000 -0.086 0.000 1.115 277 F CB 1.280 40.185 39.000 -0.159 0.000 1.436 277 F HN 0.199 nan 8.300 nan 0.000 0.496 278 R N 0.504 121.053 120.500 0.083 0.000 2.740 278 R HA 0.643 4.997 4.340 0.024 0.000 0.282 278 R C -1.627 174.555 176.300 -0.197 0.000 0.969 278 R CA -0.867 55.151 56.100 -0.137 0.000 0.918 278 R CB 1.907 32.048 30.300 -0.265 0.000 1.175 278 R HN 0.415 nan 8.270 nan 0.000 0.464 279 L N 3.270 124.333 121.223 -0.268 0.000 2.322 279 L HA 0.549 4.904 4.340 0.024 0.000 0.279 279 L C -0.464 176.246 176.870 -0.266 0.000 1.036 279 L CA -0.962 53.727 54.840 -0.252 0.000 0.807 279 L CB 1.238 43.154 42.059 -0.238 0.000 1.226 279 L HN 0.364 nan 8.230 nan 0.000 0.433 280 I N 2.572 123.009 120.570 -0.222 0.000 2.447 280 I HA 0.274 4.458 4.170 0.024 0.000 0.287 280 I C -0.285 175.743 176.117 -0.148 0.000 1.023 280 I CA -0.710 60.463 61.300 -0.211 0.000 1.083 280 I CB 1.459 39.343 38.000 -0.194 0.000 1.245 280 I HN 0.639 nan 8.210 nan 0.000 0.434 281 N N 4.846 123.472 118.700 -0.123 0.000 2.476 281 N HA 0.390 5.144 4.740 0.024 0.000 0.287 281 N C 0.915 176.384 175.510 -0.068 0.000 1.262 281 N CA -0.250 52.748 53.050 -0.087 0.000 0.980 281 N CB 0.529 38.973 38.487 -0.071 0.000 1.163 281 N HN 0.523 nan 8.380 nan 0.000 0.592 282 A N -0.550 122.239 122.820 -0.051 0.000 1.978 282 A HA -0.146 4.188 4.320 0.024 0.000 0.220 282 A C 1.507 179.071 177.584 -0.033 0.000 1.170 282 A CA 1.526 53.539 52.037 -0.039 0.000 0.636 282 A CB -0.792 18.191 19.000 -0.029 0.000 0.810 282 A HN 0.748 nan 8.150 nan 0.000 0.448 283 E N -1.488 118.693 120.200 -0.032 0.000 2.502 283 E HA 0.294 4.658 4.350 0.024 0.000 0.194 283 E C 1.267 177.857 176.600 -0.017 0.000 1.062 283 E CA 0.736 57.123 56.400 -0.023 0.000 0.867 283 E CB -0.168 29.520 29.700 -0.021 0.000 0.888 283 E HN 0.726 nan 8.360 nan 0.000 0.510 284 G N 1.260 110.047 108.800 -0.022 0.000 2.179 284 G HA2 -0.397 3.577 3.960 0.024 0.000 0.260 284 G HA3 -0.397 3.577 3.960 0.024 0.000 0.260 284 G C 0.387 175.305 174.900 0.029 0.000 0.977 284 G CA 0.459 45.564 45.100 0.009 0.000 0.641 284 G HN 0.309 nan 8.290 nan 0.000 0.533 285 K N 0.927 121.308 120.400 -0.032 0.000 2.412 285 K HA 0.576 4.911 4.320 0.024 0.000 0.281 285 K C 0.704 177.166 176.600 -0.230 0.000 1.027 285 K CA 0.279 56.518 56.287 -0.079 0.000 0.989 285 K CB 0.319 32.773 32.500 -0.077 0.000 0.935 285 K HN 0.615 nan 8.250 nan 0.000 0.475 286 A N 3.710 126.262 122.820 -0.447 0.000 2.309 286 A HA 0.386 4.720 4.320 0.024 0.000 0.298 286 A C -0.679 176.579 177.584 -0.543 0.000 1.165 286 A CA -0.485 51.130 52.037 -0.704 0.000 0.821 286 A CB 1.000 19.138 19.000 -1.436 0.000 1.102 286 A HN 0.741 nan 8.150 nan 0.000 0.500 287 T N 2.260 116.543 114.554 -0.452 0.000 2.841 287 T HA 0.552 4.916 4.350 0.024 0.000 0.283 287 T C -0.599 173.891 174.700 -0.351 0.000 1.000 287 T CA -0.099 61.791 62.100 -0.350 0.000 0.977 287 T CB 0.560 69.322 68.868 -0.177 0.000 0.979 287 T HN 0.337 nan 8.240 nan 0.000 0.446 288 F N 1.865 121.720 119.950 -0.159 0.000 2.418 288 F HA 0.551 5.092 4.527 0.024 0.000 0.341 288 F C 0.546 176.233 175.800 -0.189 0.000 1.120 288 F CA -0.448 57.453 58.000 -0.165 0.000 1.232 288 F CB 0.775 39.696 39.000 -0.132 0.000 1.175 288 F HN 0.201 nan 8.300 nan 0.000 0.569 289 V N 4.450 124.334 119.914 -0.051 0.000 2.888 289 V HA 0.603 4.737 4.120 0.024 0.000 0.309 289 V C -1.035 174.860 176.094 -0.331 0.000 1.114 289 V CA -0.751 61.386 62.300 -0.271 0.000 0.940 289 V CB 2.133 33.597 31.823 -0.598 0.000 1.021 289 V HN 0.762 nan 8.190 nan 0.000 0.426 290 R N 4.489 124.847 120.500 -0.237 0.000 2.599 290 R HA 0.551 4.906 4.340 0.024 0.000 0.295 290 R C -1.652 174.596 176.300 -0.087 0.000 0.963 290 R CA -0.495 55.485 56.100 -0.200 0.000 0.883 290 R CB 2.065 32.362 30.300 -0.005 0.000 1.171 290 R HN 0.592 nan 8.270 nan 0.000 0.450 291 F N 2.119 122.110 119.950 0.069 0.000 2.385 291 F HA 0.368 4.909 4.527 0.024 0.000 0.336 291 F C 0.975 176.716 175.800 -0.099 0.000 1.100 291 F CA -0.095 57.915 58.000 0.017 0.000 1.116 291 F CB 0.845 39.738 39.000 -0.178 0.000 1.166 291 F HN 0.195 nan 8.300 nan 0.000 0.511 292 H N 0.908 119.983 119.070 0.008 0.000 2.768 292 H HA 0.250 4.820 4.556 0.024 0.000 0.371 292 H C -1.521 173.579 175.328 -0.380 0.000 1.151 292 H CA -0.945 54.996 56.048 -0.179 0.000 1.165 292 H CB 1.951 31.697 29.762 -0.028 0.000 1.722 292 H HN 0.672 nan 8.280 nan 0.000 0.543 293 W N 2.286 123.463 121.300 -0.205 0.000 2.538 293 W HA 0.315 4.989 4.660 0.024 0.000 0.322 293 W C -0.095 176.447 176.519 0.039 0.000 1.028 293 W CA -0.773 56.507 57.345 -0.109 0.000 1.228 293 W CB 1.782 30.988 29.460 -0.423 0.000 1.356 293 W HN 0.282 nan 8.180 nan 0.000 0.452 294 K N 5.809 126.475 120.400 0.443 0.000 2.213 294 K HA 0.367 4.702 4.320 0.024 0.000 0.270 294 K C -2.353 174.488 176.600 0.401 0.000 1.002 294 K CA -1.853 54.635 56.287 0.336 0.000 0.868 294 K CB 1.362 34.007 32.500 0.242 0.000 1.093 294 K HN 0.050 nan 8.250 nan 0.000 0.454 295 P HA 0.063 nan 4.420 nan 0.000 0.281 295 P C 0.323 177.631 177.300 0.013 0.000 1.286 295 P CA -0.124 63.050 63.100 0.123 0.000 0.772 295 P CB 0.774 32.564 31.700 0.150 0.000 0.862 296 L N 2.754 123.933 121.223 -0.074 0.000 2.456 296 L HA -0.064 4.291 4.340 0.024 0.000 0.224 296 L C 2.069 178.918 176.870 -0.034 0.000 1.148 296 L CA 0.978 55.806 54.840 -0.019 0.000 0.825 296 L CB -0.560 41.498 42.059 -0.003 0.000 0.937 296 L HN 0.353 nan 8.230 nan 0.000 0.450 297 A N -0.008 122.764 122.820 -0.079 0.000 2.307 297 A HA 0.456 4.790 4.320 0.024 0.000 0.218 297 A C 1.245 178.823 177.584 -0.009 0.000 1.228 297 A CA 0.515 52.521 52.037 -0.052 0.000 0.857 297 A CB -0.340 18.607 19.000 -0.087 0.000 0.897 297 A HN 0.430 nan 8.150 nan 0.000 0.495 298 G N -0.234 108.577 108.800 0.017 0.000 2.829 298 G HA2 -0.171 3.803 3.960 0.024 0.000 0.628 298 G HA3 -0.171 3.803 3.960 0.024 0.000 0.628 298 G C -0.583 174.348 174.900 0.051 0.000 1.412 298 G CA -0.370 44.760 45.100 0.049 0.000 0.864 298 G HN 0.514 nan 8.290 nan 0.000 0.544 299 K N 0.171 120.608 120.400 0.062 0.000 2.201 299 K HA 0.713 5.047 4.320 0.024 0.000 0.278 299 K C 0.221 176.828 176.600 0.011 0.000 1.027 299 K CA 0.210 56.521 56.287 0.039 0.000 0.909 299 K CB 1.777 34.286 32.500 0.015 0.000 1.062 299 K HN 1.479 nan 8.250 nan 0.000 0.465 300 A N 1.733 124.547 122.820 -0.010 0.000 2.540 300 A HA 0.573 4.908 4.320 0.024 0.000 0.297 300 A C -1.169 176.466 177.584 0.085 0.000 1.056 300 A CA -0.718 51.270 52.037 -0.081 0.000 0.700 300 A CB 1.618 20.382 19.000 -0.393 0.000 1.280 300 A HN 0.514 nan 8.150 nan 0.000 0.398 301 S N 0.816 116.726 115.700 0.350 0.000 2.599 301 S HA 0.742 5.226 4.470 0.024 0.000 0.287 301 S C -0.010 174.924 174.600 0.556 0.000 1.105 301 S CA -0.674 57.775 58.200 0.415 0.000 0.899 301 S CB 1.210 64.640 63.200 0.383 0.000 1.100 301 S HN 0.663 nan 8.310 nan 0.000 0.482 302 L N 1.395 122.828 121.223 0.349 0.000 2.470 302 L HA 0.465 4.820 4.340 0.024 0.000 0.243 302 L C 0.196 177.194 176.870 0.214 0.000 1.227 302 L CA -0.670 54.296 54.840 0.209 0.000 0.824 302 L CB 0.035 42.133 42.059 0.065 0.000 1.175 302 L HN 0.508 nan 8.230 nan 0.000 0.503 303 V N -3.059 116.879 119.914 0.039 0.000 2.881 303 V HA 0.198 4.332 4.120 0.024 0.000 0.316 303 V C 0.654 176.701 176.094 -0.077 0.000 1.070 303 V CA -0.804 61.491 62.300 -0.008 0.000 0.976 303 V CB 1.678 33.469 31.823 -0.054 0.000 1.038 303 V HN 0.945 nan 8.190 nan 0.000 0.446 304 W N 1.692 122.860 121.300 -0.220 0.000 2.333 304 W HA -0.214 4.460 4.660 0.024 0.000 0.316 304 W C 1.818 178.181 176.519 -0.261 0.000 1.215 304 W CA 2.572 59.780 57.345 -0.228 0.000 1.278 304 W CB -0.105 29.200 29.460 -0.258 0.000 1.154 304 W HN 1.011 nan 8.180 nan 0.000 0.486 305 D N 0.200 120.326 120.400 -0.455 0.000 2.149 305 D HA -0.286 4.368 4.640 0.024 0.000 0.198 305 D C 2.118 178.072 176.300 -0.576 0.000 0.990 305 D CA 2.073 55.760 54.000 -0.521 0.000 0.839 305 D CB -0.435 40.307 40.800 -0.096 0.000 0.948 305 D HN 0.376 nan 8.370 nan 0.000 0.460 306 E N -0.292 119.459 120.200 -0.748 0.000 2.031 306 E HA -0.214 4.150 4.350 0.024 0.000 0.193 306 E C 2.086 178.335 176.600 -0.585 0.000 0.994 306 E CA 1.058 56.926 56.400 -0.886 0.000 0.800 306 E CB -0.277 28.775 29.700 -1.080 0.000 0.752 306 E HN 0.299 nan 8.360 nan 0.000 0.447 307 A N 1.245 123.752 122.820 -0.522 0.000 1.892 307 A HA -0.316 4.018 4.320 0.024 0.000 0.218 307 A C 2.205 179.456 177.584 -0.555 0.000 1.188 307 A CA 2.127 53.907 52.037 -0.429 0.000 0.631 307 A CB -0.875 17.993 19.000 -0.220 0.000 0.822 307 A HN 0.496 nan 8.150 nan 0.000 0.447 308 Q N -0.788 118.458 119.800 -0.924 0.000 2.046 308 Q HA -0.189 4.165 4.340 0.024 0.000 0.200 308 Q C 2.195 177.912 176.000 -0.473 0.000 0.975 308 Q CA 1.875 57.158 55.803 -0.867 0.000 0.836 308 Q CB -0.135 27.823 28.738 -1.300 0.000 0.896 308 Q HN 0.674 nan 8.270 nan 0.000 0.428 309 K N -0.061 120.078 120.400 -0.435 0.000 2.097 309 K HA -0.154 4.180 4.320 0.024 0.000 0.206 309 K C 2.044 178.500 176.600 -0.239 0.000 1.049 309 K CA 0.858 56.987 56.287 -0.264 0.000 0.933 309 K CB -0.097 32.286 32.500 -0.194 0.000 0.717 309 K HN 0.153 nan 8.250 nan 0.000 0.442 310 L N 1.212 122.252 121.223 -0.305 0.000 2.131 310 L HA -0.150 4.204 4.340 0.024 0.000 0.210 310 L C 2.155 178.891 176.870 -0.225 0.000 1.092 310 L CA 2.223 56.880 54.840 -0.304 0.000 0.759 310 L CB -0.973 40.817 42.059 -0.449 0.000 0.903 310 L HN 0.371 nan 8.230 nan 0.000 0.435 311 T N -4.144 110.283 114.554 -0.212 0.000 2.849 311 T HA -0.098 4.266 4.350 0.024 0.000 0.270 311 T C 1.860 176.499 174.700 -0.101 0.000 1.066 311 T CA 1.094 63.114 62.100 -0.135 0.000 1.130 311 T CB -1.067 67.736 68.868 -0.109 0.000 0.864 311 T HN 0.394 nan 8.240 nan 0.000 0.481 312 G N 1.076 109.808 108.800 -0.114 0.000 2.437 312 G HA2 0.003 3.977 3.960 0.024 0.000 0.212 312 G HA3 0.003 3.977 3.960 0.024 0.000 0.212 312 G C 1.918 176.775 174.900 -0.072 0.000 1.174 312 G CA -0.232 44.818 45.100 -0.083 0.000 0.811 312 G HN 0.327 nan 8.290 nan 0.000 0.537 313 R N 0.247 120.694 120.500 -0.087 0.000 2.115 313 R HA 0.045 4.399 4.340 0.024 0.000 0.226 313 R C -0.155 176.120 176.300 -0.042 0.000 1.100 313 R CA 0.810 56.872 56.100 -0.063 0.000 0.980 313 R CB -0.143 30.112 30.300 -0.075 0.000 0.875 313 R HN 0.337 nan 8.270 nan 0.000 0.445 314 D N -0.328 120.040 120.400 -0.052 0.000 2.411 314 D HA 0.143 4.797 4.640 0.024 0.000 0.239 314 D C -2.099 174.204 176.300 0.005 0.000 1.307 314 D CA -1.808 52.194 54.000 0.004 0.000 0.930 314 D CB 1.316 42.166 40.800 0.084 0.000 1.395 314 D HN -0.150 nan 8.370 nan 0.000 0.536 315 P HA -0.010 nan 4.420 nan 0.000 0.228 315 P C 0.011 177.320 177.300 0.015 0.000 1.151 315 P CA 0.668 63.760 63.100 -0.014 0.000 0.770 315 P CB 0.478 32.167 31.700 -0.018 0.000 0.786 316 D N -1.492 118.929 120.400 0.036 0.000 2.463 316 D HA 0.084 4.738 4.640 0.024 0.000 0.224 316 D C 1.161 177.508 176.300 0.079 0.000 1.174 316 D CA -0.463 53.566 54.000 0.049 0.000 0.829 316 D CB -0.554 40.253 40.800 0.012 0.000 0.993 316 D HN 0.131 nan 8.370 nan 0.000 0.497 317 F N 1.064 120.960 119.950 -0.090 0.000 2.126 317 F HA -0.225 4.317 4.527 0.024 0.000 0.299 317 F C 2.009 177.797 175.800 -0.021 0.000 1.096 317 F CA 1.834 59.779 58.000 -0.091 0.000 1.255 317 F CB 0.144 39.033 39.000 -0.186 0.000 0.997 317 F HN 0.110 nan 8.300 nan 0.000 0.479 318 H N -1.215 117.784 119.070 -0.120 0.000 2.372 318 H HA -0.042 4.528 4.556 0.024 0.000 0.301 318 H C 2.385 177.642 175.328 -0.119 0.000 1.065 318 H CA 0.757 56.606 56.048 -0.332 0.000 1.364 318 H CB -0.124 29.293 29.762 -0.574 0.000 1.406 318 H HN 0.127 nan 8.280 nan 0.000 0.521 319 R N 1.220 121.849 120.500 0.215 0.000 2.096 319 R HA -0.191 4.164 4.340 0.024 0.000 0.240 319 R C 2.461 178.874 176.300 0.188 0.000 1.139 319 R CA 1.739 57.996 56.100 0.262 0.000 0.952 319 R CB -0.073 30.356 30.300 0.215 0.000 0.854 319 R HN 0.214 nan 8.270 nan 0.000 0.436 320 R N 0.239 120.771 120.500 0.055 0.000 2.062 320 R HA -0.142 4.212 4.340 0.024 0.000 0.231 320 R C 2.218 178.519 176.300 0.002 0.000 1.136 320 R CA 1.664 57.777 56.100 0.022 0.000 0.948 320 R CB -0.315 29.963 30.300 -0.037 0.000 0.845 320 R HN 0.260 nan 8.270 nan 0.000 0.430 321 E N 0.760 120.841 120.200 -0.199 0.000 2.085 321 E HA -0.226 4.139 4.350 0.024 0.000 0.194 321 E C 2.026 178.593 176.600 -0.055 0.000 0.994 321 E CA 1.327 57.587 56.400 -0.235 0.000 0.801 321 E CB -0.134 29.235 29.700 -0.551 0.000 0.743 321 E HN 0.263 nan 8.360 nan 0.000 0.453 322 L N 0.934 122.168 121.223 0.019 0.000 1.989 322 L HA -0.181 4.174 4.340 0.024 0.000 0.211 322 L C 2.280 179.248 176.870 0.164 0.000 1.071 322 L CA 2.004 56.906 54.840 0.103 0.000 0.749 322 L CB -1.018 41.163 42.059 0.203 0.000 0.890 322 L HN 0.333 nan 8.230 nan 0.000 0.431 323 W N 1.003 122.340 121.300 0.061 0.000 2.317 323 W HA -0.256 4.418 4.660 0.024 0.000 0.318 323 W C 2.283 178.832 176.519 0.051 0.000 1.227 323 W CA 2.418 59.810 57.345 0.077 0.000 1.269 323 W CB -0.234 29.275 29.460 0.082 0.000 1.155 323 W HN 0.376 nan 8.180 nan 0.000 0.484 324 E N -0.146 120.223 120.200 0.282 0.000 2.204 324 E HA -0.121 4.243 4.350 0.024 0.000 0.194 324 E C 2.296 178.921 176.600 0.041 0.000 0.989 324 E CA 0.962 57.448 56.400 0.143 0.000 0.824 324 E CB -0.358 29.383 29.700 0.068 0.000 0.756 324 E HN 0.203 nan 8.360 nan 0.000 0.477 325 A N 1.272 124.116 122.820 0.040 0.000 1.898 325 A HA -0.146 4.188 4.320 0.024 0.000 0.216 325 A C 2.159 179.756 177.584 0.022 0.000 1.181 325 A CA 0.952 53.004 52.037 0.026 0.000 0.620 325 A CB -0.453 18.564 19.000 0.027 0.000 0.819 325 A HN 0.118 nan 8.150 nan 0.000 0.442 326 I N -0.437 120.165 120.570 0.055 0.000 2.252 326 I HA -0.225 3.960 4.170 0.024 0.000 0.245 326 I C 2.441 178.606 176.117 0.081 0.000 1.102 326 I CA 1.360 62.737 61.300 0.127 0.000 1.385 326 I CB -0.381 37.644 38.000 0.042 0.000 1.064 326 I HN 0.400 nan 8.210 nan 0.000 0.414 327 E N 0.842 121.044 120.200 0.004 0.000 2.153 327 E HA -0.191 4.173 4.350 0.024 0.000 0.194 327 E C 2.165 178.767 176.600 0.003 0.000 0.988 327 E CA 1.223 57.639 56.400 0.027 0.000 0.811 327 E CB -0.105 29.643 29.700 0.079 0.000 0.746 327 E HN 0.509 nan 8.360 nan 0.000 0.466 328 A N 0.104 122.901 122.820 -0.039 0.000 2.167 328 A HA 0.176 4.510 4.320 0.024 0.000 0.214 328 A C 1.838 179.335 177.584 -0.145 0.000 1.151 328 A CA 1.021 53.016 52.037 -0.071 0.000 0.735 328 A CB -0.187 18.763 19.000 -0.084 0.000 0.802 328 A HN 0.348 nan 8.150 nan 0.000 0.467 329 G N -0.410 108.205 108.800 -0.308 0.000 2.176 329 G HA2 -0.214 3.760 3.960 0.024 0.000 0.253 329 G HA3 -0.214 3.760 3.960 0.024 0.000 0.253 329 G C -0.189 174.180 174.900 -0.885 0.000 0.979 329 G CA 0.261 44.851 45.100 -0.850 0.000 0.641 329 G HN 0.482 nan 8.290 nan 0.000 0.530 330 D N 1.101 121.267 120.400 -0.391 0.000 2.801 330 D HA 0.286 4.940 4.640 0.024 0.000 0.232 330 D C 0.756 176.983 176.300 -0.121 0.000 1.128 330 D CA -0.091 53.783 54.000 -0.210 0.000 1.003 330 D CB -0.722 40.058 40.800 -0.034 0.000 1.110 330 D HN 0.419 nan 8.370 nan 0.000 0.477 331 F N 1.426 121.377 119.950 0.002 0.000 2.608 331 F HA 0.090 4.632 4.527 0.024 0.000 0.380 331 F C -1.359 174.411 175.800 -0.050 0.000 1.083 331 F CA -1.903 56.090 58.000 -0.012 0.000 1.266 331 F CB 0.028 39.031 39.000 0.006 0.000 1.076 331 F HN -0.069 nan 8.300 nan 0.000 0.574 332 P HA 0.049 nan 4.420 nan 0.000 0.267 332 P C -1.179 176.065 177.300 -0.093 0.000 1.209 332 P CA 0.224 63.306 63.100 -0.028 0.000 0.763 332 P CB 0.445 32.211 31.700 0.110 0.000 0.816 333 E N 2.428 122.437 120.200 -0.319 0.000 2.238 333 E HA 0.527 4.891 4.350 0.024 0.000 0.267 333 E C -1.035 175.271 176.600 -0.490 0.000 0.887 333 E CA -0.582 55.684 56.400 -0.223 0.000 0.769 333 E CB 1.544 31.212 29.700 -0.053 0.000 1.187 333 E HN 0.370 nan 8.360 nan 0.000 0.416 334 Y N 0.191 120.566 120.300 0.124 0.000 2.492 334 Y HA 0.252 4.816 4.550 0.024 0.000 0.346 334 Y C -0.385 175.746 175.900 0.385 0.000 0.997 334 Y CA -1.001 57.246 58.100 0.245 0.000 1.025 334 Y CB 2.144 40.714 38.460 0.183 0.000 1.263 334 Y HN 0.489 nan 8.280 nan 0.000 0.454 335 E N 2.700 123.238 120.200 0.564 0.000 2.134 335 E HA 0.412 4.776 4.350 0.024 0.000 0.278 335 E C -1.563 175.324 176.600 0.478 0.000 0.959 335 E CA -0.962 55.724 56.400 0.476 0.000 0.783 335 E CB 1.073 30.985 29.700 0.352 0.000 1.095 335 E HN 0.587 nan 8.360 nan 0.000 0.399 336 L N 4.438 125.858 121.223 0.327 0.000 2.367 336 L HA 0.526 4.880 4.340 0.024 0.000 0.275 336 L C -0.071 176.712 176.870 -0.144 0.000 1.129 336 L CA 0.580 55.298 54.840 -0.204 0.000 0.839 336 L CB 1.010 42.885 42.059 -0.307 0.000 1.133 336 L HN 0.597 nan 8.230 nan 0.000 0.453 337 G N 4.269 112.992 108.800 -0.128 0.000 2.619 337 G HA2 0.582 4.556 3.960 0.024 0.000 0.296 337 G HA3 0.582 4.556 3.960 0.024 0.000 0.296 337 G C -1.662 173.344 174.900 0.177 0.000 1.334 337 G CA -0.528 44.528 45.100 -0.075 0.000 0.934 337 G HN 0.455 nan 8.290 nan 0.000 0.476 338 F N 0.053 120.027 119.950 0.040 0.000 2.529 338 F HA 0.385 4.926 4.527 0.024 0.000 0.320 338 F C 0.295 176.104 175.800 0.015 0.000 1.118 338 F CA -0.938 57.101 58.000 0.066 0.000 0.915 338 F CB 2.659 41.684 39.000 0.041 0.000 1.161 338 F HN 0.150 nan 8.300 nan 0.000 0.445 339 Q N 3.587 123.531 119.800 0.241 0.000 2.274 339 Q HA 0.409 4.763 4.340 0.024 0.000 0.256 339 Q C -1.247 174.814 176.000 0.102 0.000 0.927 339 Q CA -0.802 55.078 55.803 0.128 0.000 0.939 339 Q CB 1.847 30.666 28.738 0.134 0.000 1.201 339 Q HN 0.304 nan 8.270 nan 0.000 0.426 340 L N 4.190 125.474 121.223 0.103 0.000 2.346 340 L HA 0.582 4.937 4.340 0.024 0.000 0.276 340 L C -0.631 176.299 176.870 0.099 0.000 1.006 340 L CA -0.423 54.466 54.840 0.082 0.000 0.817 340 L CB 1.694 43.811 42.059 0.097 0.000 1.272 340 L HN 0.602 nan 8.230 nan 0.000 0.421 341 I N 4.718 125.362 120.570 0.124 0.000 2.512 341 I HA 0.348 4.533 4.170 0.024 0.000 0.287 341 I C -2.298 173.946 176.117 0.213 0.000 1.069 341 I CA -1.737 59.676 61.300 0.189 0.000 1.056 341 I CB 2.533 40.651 38.000 0.197 0.000 1.229 341 I HN 0.367 nan 8.210 nan 0.000 0.429 342 P HA 0.055 nan 4.420 nan 0.000 0.269 342 P C 0.630 178.008 177.300 0.131 0.000 1.215 342 P CA -0.089 63.055 63.100 0.075 0.000 0.780 342 P CB 0.826 32.562 31.700 0.061 0.000 0.898 343 E N 1.140 121.331 120.200 -0.016 0.000 2.097 343 E HA -0.283 4.081 4.350 0.024 0.000 0.196 343 E C 0.917 177.619 176.600 0.171 0.000 1.000 343 E CA 1.568 57.972 56.400 0.006 0.000 0.804 343 E CB 0.028 29.643 29.700 -0.141 0.000 0.740 343 E HN 0.462 nan 8.360 nan 0.000 0.454 344 E N 0.363 120.632 120.200 0.114 0.000 2.418 344 E HA -0.102 4.263 4.350 0.024 0.000 0.197 344 E C 0.587 177.262 176.600 0.126 0.000 1.026 344 E CA 0.813 57.285 56.400 0.120 0.000 0.862 344 E CB 0.152 29.898 29.700 0.078 0.000 0.799 344 E HN 0.220 nan 8.360 nan 0.000 0.518 345 D N 0.090 120.568 120.400 0.131 0.000 2.342 345 D HA -0.018 4.636 4.640 0.024 0.000 0.221 345 D C 1.202 177.556 176.300 0.090 0.000 1.101 345 D CA 0.074 54.133 54.000 0.099 0.000 0.837 345 D CB 0.088 40.962 40.800 0.123 0.000 0.938 345 D HN 0.278 nan 8.370 nan 0.000 0.508 346 E N -0.189 120.019 120.200 0.013 0.000 2.130 346 E HA -0.181 4.183 4.350 0.024 0.000 0.196 346 E C 0.447 176.752 176.600 -0.492 0.000 0.998 346 E CA 1.073 57.257 56.400 -0.360 0.000 0.806 346 E CB 0.029 29.327 29.700 -0.670 0.000 0.738 346 E HN 0.252 nan 8.360 nan 0.000 0.459 347 F N -0.299 119.667 119.950 0.026 0.000 2.647 347 F HA 0.281 4.823 4.527 0.024 0.000 0.300 347 F C 1.096 176.838 175.800 -0.097 0.000 1.106 347 F CA -0.299 57.688 58.000 -0.022 0.000 1.313 347 F CB 0.666 39.660 39.000 -0.011 0.000 1.007 347 F HN -0.172 nan 8.300 nan 0.000 0.536 348 K N 0.158 120.496 120.400 -0.103 0.000 2.404 348 K HA 0.155 4.489 4.320 0.024 0.000 0.194 348 K C -0.426 175.738 176.600 -0.726 0.000 1.023 348 K CA 0.297 56.345 56.287 -0.398 0.000 1.094 348 K CB 0.180 32.389 32.500 -0.485 0.000 0.841 348 K HN 0.141 nan 8.250 nan 0.000 0.523 349 F N 0.273 120.056 119.950 -0.279 0.000 2.523 349 F HA 0.186 4.727 4.527 0.024 0.000 0.329 349 F C 1.199 176.772 175.800 -0.380 0.000 1.061 349 F CA -1.155 56.562 58.000 -0.472 0.000 0.967 349 F CB 0.886 39.190 39.000 -1.161 0.000 1.218 349 F HN -0.205 nan 8.300 nan 0.000 0.480 350 D N 0.691 121.068 120.400 -0.037 0.000 2.350 350 D HA -0.050 4.605 4.640 0.024 0.000 0.216 350 D C -0.069 176.303 176.300 0.120 0.000 0.968 350 D CA 1.169 55.220 54.000 0.084 0.000 0.894 350 D CB -0.216 40.716 40.800 0.220 0.000 0.909 350 D HN 0.277 nan 8.370 nan 0.000 0.520 351 F N -1.070 118.962 119.950 0.137 0.000 2.618 351 F HA 0.489 5.030 4.527 0.024 0.000 0.332 351 F C -0.068 175.721 175.800 -0.018 0.000 1.061 351 F CA -1.622 56.383 58.000 0.008 0.000 0.974 351 F CB 0.822 39.790 39.000 -0.053 0.000 1.310 351 F HN -0.404 nan 8.300 nan 0.000 0.491 352 D N 1.572 121.980 120.400 0.013 0.000 2.264 352 D HA 0.205 4.859 4.640 0.024 0.000 0.250 352 D C 1.017 177.256 176.300 -0.103 0.000 1.113 352 D CA -0.107 53.848 54.000 -0.076 0.000 0.871 352 D CB 1.519 42.300 40.800 -0.031 0.000 1.167 352 D HN 0.739 nan 8.370 nan 0.000 0.447 353 L N 3.374 124.467 121.223 -0.215 0.000 2.191 353 L HA -0.140 4.214 4.340 0.024 0.000 0.212 353 L C 1.971 178.701 176.870 -0.233 0.000 1.103 353 L CA 0.760 55.443 54.840 -0.261 0.000 0.769 353 L CB -0.095 41.647 42.059 -0.530 0.000 0.908 353 L HN 0.459 nan 8.230 nan 0.000 0.438 354 L N -0.906 120.209 121.223 -0.179 0.000 2.591 354 L HA 0.056 4.410 4.340 0.024 0.000 0.228 354 L C 0.405 177.221 176.870 -0.089 0.000 1.133 354 L CA -0.146 54.660 54.840 -0.057 0.000 0.880 354 L CB -0.270 41.862 42.059 0.122 0.000 1.033 354 L HN 0.094 nan 8.230 nan 0.000 0.450 355 D N 1.882 121.991 120.400 -0.486 0.000 2.347 355 D HA 0.118 4.772 4.640 0.024 0.000 0.235 355 D C -1.616 174.456 176.300 -0.380 0.000 1.149 355 D CA -2.268 51.185 54.000 -0.911 0.000 0.850 355 D CB 1.544 41.519 40.800 -1.375 0.000 1.061 355 D HN -0.062 nan 8.370 nan 0.000 0.487 356 P HA -0.012 nan 4.420 nan 0.000 0.249 356 P C 0.843 178.039 177.300 -0.173 0.000 1.229 356 P CA 0.422 63.444 63.100 -0.130 0.000 0.788 356 P CB -0.033 31.681 31.700 0.023 0.000 1.072 357 T N -4.191 110.252 114.554 -0.184 0.000 3.129 357 T HA 0.123 4.487 4.350 0.024 0.000 0.251 357 T C 0.796 175.390 174.700 -0.175 0.000 1.117 357 T CA 0.090 62.089 62.100 -0.169 0.000 1.034 357 T CB -0.233 68.583 68.868 -0.086 0.000 0.968 357 T HN -0.127 nan 8.240 nan 0.000 0.526 358 K N 2.071 122.272 120.400 -0.331 0.000 2.182 358 K HA 0.554 4.889 4.320 0.024 0.000 0.262 358 K C -0.275 176.129 176.600 -0.327 0.000 0.957 358 K CA -0.858 55.100 56.287 -0.548 0.000 0.842 358 K CB 2.058 34.133 32.500 -0.708 0.000 1.099 358 K HN 0.301 nan 8.250 nan 0.000 0.438 359 L N -0.217 120.961 121.223 -0.075 0.000 2.387 359 L HA 0.624 4.978 4.340 0.024 0.000 0.266 359 L C 0.059 176.729 176.870 -0.333 0.000 1.059 359 L CA -0.459 54.277 54.840 -0.174 0.000 0.801 359 L CB 0.229 42.257 42.059 -0.052 0.000 1.223 359 L HN 0.429 nan 8.230 nan 0.000 0.456 360 I N 1.564 122.026 120.570 -0.179 0.000 2.291 360 I HA 0.334 4.518 4.170 0.024 0.000 0.290 360 I C -2.091 174.042 176.117 0.027 0.000 1.050 360 I CA -1.636 59.616 61.300 -0.080 0.000 1.245 360 I CB 0.816 38.799 38.000 -0.030 0.000 1.405 360 I HN 0.450 nan 8.210 nan 0.000 0.478 361 P HA 0.044 nan 4.420 nan 0.000 0.267 361 P C 0.353 177.726 177.300 0.121 0.000 1.209 361 P CA 0.014 63.166 63.100 0.086 0.000 0.763 361 P CB 0.568 32.313 31.700 0.075 0.000 0.816 362 E N 1.981 122.258 120.200 0.128 0.000 2.267 362 E HA -0.215 4.150 4.350 0.024 0.000 0.197 362 E C 1.337 177.994 176.600 0.095 0.000 0.998 362 E CA 0.866 57.330 56.400 0.106 0.000 0.830 362 E CB -0.011 29.753 29.700 0.108 0.000 0.751 362 E HN 0.536 nan 8.360 nan 0.000 0.491 363 E N 0.292 120.549 120.200 0.096 0.000 2.204 363 E HA -0.129 4.236 4.350 0.024 0.000 0.194 363 E C 2.054 178.718 176.600 0.108 0.000 0.989 363 E CA 0.690 57.142 56.400 0.086 0.000 0.824 363 E CB 0.105 29.849 29.700 0.072 0.000 0.756 363 E HN 0.377 nan 8.360 nan 0.000 0.477 364 L N -0.330 120.982 121.223 0.148 0.000 2.168 364 L HA 0.051 4.405 4.340 0.024 0.000 0.203 364 L C 0.686 177.681 176.870 0.209 0.000 1.078 364 L CA 0.450 55.415 54.840 0.209 0.000 0.780 364 L CB 0.447 42.707 42.059 0.336 0.000 0.939 364 L HN -0.202 nan 8.230 nan 0.000 0.451 365 V N 1.221 121.238 119.914 0.172 0.000 2.398 365 V HA 0.310 4.444 4.120 0.024 0.000 0.282 365 V C -2.384 173.763 176.094 0.087 0.000 1.014 365 V CA -1.484 60.899 62.300 0.139 0.000 0.838 365 V CB 1.308 33.206 31.823 0.126 0.000 1.018 365 V HN -0.039 nan 8.190 nan 0.000 0.432 366 P HA 0.155 nan 4.420 nan 0.000 0.272 366 P C -0.234 177.067 177.300 0.003 0.000 1.230 366 P CA -0.027 63.095 63.100 0.037 0.000 0.788 366 P CB 0.794 32.519 31.700 0.041 0.000 0.949 367 V N 3.200 123.079 119.914 -0.058 0.000 2.455 367 V HA 0.065 4.200 4.120 0.024 0.000 0.273 367 V C 0.720 176.800 176.094 -0.024 0.000 1.045 367 V CA 0.144 62.375 62.300 -0.115 0.000 0.976 367 V CB -0.248 31.413 31.823 -0.270 0.000 0.993 367 V HN 0.458 nan 8.190 nan 0.000 0.475 368 Q N 4.668 124.475 119.800 0.012 0.000 2.274 368 Q HA 0.426 4.780 4.340 0.024 0.000 0.256 368 Q C -0.243 175.740 176.000 -0.028 0.000 0.927 368 Q CA -0.578 55.232 55.803 0.013 0.000 0.939 368 Q CB 1.615 30.376 28.738 0.038 0.000 1.201 368 Q HN 0.614 nan 8.270 nan 0.000 0.426 369 R N 1.207 121.718 120.500 0.019 0.000 2.537 369 R HA 0.071 4.425 4.340 0.024 0.000 0.280 369 R C 0.402 176.732 176.300 0.049 0.000 1.058 369 R CA -0.060 56.095 56.100 0.092 0.000 1.057 369 R CB 0.586 31.004 30.300 0.197 0.000 0.973 369 R HN 0.442 nan 8.270 nan 0.000 0.438 370 V N 0.880 120.748 119.914 -0.077 0.000 3.090 370 V HA 0.367 4.501 4.120 0.024 0.000 0.237 370 V C 0.735 176.624 176.094 -0.341 0.000 1.209 370 V CA 1.023 63.163 62.300 -0.267 0.000 1.209 370 V CB 0.957 32.336 31.823 -0.739 0.000 0.971 370 V HN 1.009 nan 8.190 nan 0.000 0.477 371 G N -0.186 108.289 108.800 -0.542 0.000 2.342 371 G HA2 0.470 4.444 3.960 0.024 0.000 0.297 371 G HA3 0.470 4.444 3.960 0.024 0.000 0.297 371 G C -1.867 172.738 174.900 -0.492 0.000 1.313 371 G CA -0.533 43.962 45.100 -1.009 0.000 0.830 371 G HN 0.077 nan 8.290 nan 0.000 0.506 372 K N -0.393 119.749 120.400 -0.430 0.000 2.378 372 K HA 0.722 5.056 4.320 0.024 0.000 0.252 372 K C -0.855 175.820 176.600 0.126 0.000 0.931 372 K CA -0.795 55.505 56.287 0.022 0.000 0.794 372 K CB 2.021 34.559 32.500 0.063 0.000 1.181 372 K HN 0.626 nan 8.250 nan 0.000 0.425 373 M N 4.704 124.499 119.600 0.324 0.000 2.383 373 M HA 0.419 4.913 4.480 0.024 0.000 0.325 373 M C -1.729 174.562 176.300 -0.015 0.000 1.092 373 M CA -0.764 54.641 55.300 0.175 0.000 0.961 373 M CB 1.730 34.458 32.600 0.214 0.000 1.672 373 M HN 0.366 nan 8.290 nan 0.000 0.438 374 V N 5.674 125.409 119.914 -0.300 0.000 2.487 374 V HA 0.451 4.586 4.120 0.024 0.000 0.298 374 V C -0.950 175.005 176.094 -0.231 0.000 1.028 374 V CA -0.853 61.288 62.300 -0.266 0.000 0.860 374 V CB 1.740 33.284 31.823 -0.466 0.000 0.991 374 V HN 0.661 nan 8.190 nan 0.000 0.427 375 L N 5.889 127.070 121.223 -0.070 0.000 2.255 375 L HA 0.499 4.854 4.340 0.024 0.000 0.289 375 L C 0.709 177.498 176.870 -0.135 0.000 1.046 375 L CA 0.128 54.927 54.840 -0.068 0.000 0.816 375 L CB 1.036 43.108 42.059 0.021 0.000 1.197 375 L HN 0.880 nan 8.230 nan 0.000 0.427 376 N N 2.174 120.711 118.700 -0.272 0.000 2.160 376 N HA 0.140 4.894 4.740 0.024 0.000 0.226 376 N C 0.096 175.432 175.510 -0.291 0.000 1.256 376 N CA -0.241 52.391 53.050 -0.697 0.000 0.890 376 N CB 0.839 38.551 38.487 -1.292 0.000 1.116 376 N HN 0.424 nan 8.380 nan 0.000 0.517 377 R N 0.279 120.718 120.500 -0.103 0.000 2.535 377 R HA 0.305 4.660 4.340 0.024 0.000 0.274 377 R C -1.235 175.030 176.300 -0.059 0.000 1.090 377 R CA -0.571 55.490 56.100 -0.066 0.000 0.930 377 R CB 1.332 31.598 30.300 -0.056 0.000 1.223 377 R HN 0.047 nan 8.270 nan 0.000 0.441 378 N N 3.368 121.910 118.700 -0.264 0.000 2.444 378 N HA 0.233 4.987 4.740 0.024 0.000 0.255 378 N C -2.242 173.210 175.510 -0.097 0.000 1.255 378 N CA -1.057 51.686 53.050 -0.512 0.000 0.933 378 N CB 0.503 38.025 38.487 -1.608 0.000 1.143 378 N HN 0.326 nan 8.380 nan 0.000 0.453 379 P HA 0.088 nan 4.420 nan 0.000 0.274 379 P C 0.087 177.592 177.300 0.342 0.000 1.260 379 P CA -0.073 63.243 63.100 0.359 0.000 0.793 379 P CB 1.013 32.978 31.700 0.442 0.000 1.048 380 D N -1.185 119.388 120.400 0.288 0.000 2.259 380 D HA -0.012 4.642 4.640 0.024 0.000 0.216 380 D C 0.475 176.958 176.300 0.306 0.000 0.961 380 D CA 1.280 55.440 54.000 0.267 0.000 0.878 380 D CB 0.225 41.122 40.800 0.160 0.000 1.009 380 D HN 0.386 nan 8.370 nan 0.000 0.490 381 N N -0.143 118.732 118.700 0.292 0.000 2.461 381 N HA 0.013 4.767 4.740 0.024 0.000 0.284 381 N C -0.012 175.719 175.510 0.368 0.000 1.049 381 N CA -0.334 52.899 53.050 0.304 0.000 0.889 381 N CB 1.585 40.216 38.487 0.239 0.000 1.365 381 N HN -0.157 nan 8.380 nan 0.000 0.499 382 F N 4.332 124.439 119.950 0.260 0.000 2.095 382 F HA -0.170 4.370 4.527 0.023 0.000 0.298 382 F C 1.681 177.624 175.800 0.238 0.000 1.104 382 F CA 1.484 59.642 58.000 0.262 0.000 1.232 382 F CB -0.101 39.024 39.000 0.209 0.000 0.987 382 F HN 0.598 nan 8.300 nan 0.000 0.475 383 F N 0.895 121.108 119.950 0.438 0.000 2.069 383 F HA -0.192 4.349 4.527 0.024 0.000 0.298 383 F C 2.334 178.201 175.800 0.112 0.000 1.113 383 F CA 1.873 60.035 58.000 0.270 0.000 1.214 383 F CB -0.933 38.196 39.000 0.214 0.000 0.978 383 F HN 0.009 nan 8.300 nan 0.000 0.474 384 A N -0.336 122.652 122.820 0.280 0.000 1.902 384 A HA -0.178 4.157 4.320 0.024 0.000 0.217 384 A C 2.066 179.597 177.584 -0.088 0.000 1.181 384 A CA 2.038 54.138 52.037 0.105 0.000 0.623 384 A CB -0.693 18.411 19.000 0.173 0.000 0.818 384 A HN 0.600 nan 8.150 nan 0.000 0.443 385 E N -1.372 118.790 120.200 -0.064 0.000 2.162 385 E HA -0.058 4.307 4.350 0.024 0.000 0.193 385 E C 1.945 178.465 176.600 -0.133 0.000 0.953 385 E CA 0.527 56.818 56.400 -0.183 0.000 0.849 385 E CB -0.088 29.547 29.700 -0.108 0.000 0.810 385 E HN 0.582 nan 8.360 nan 0.000 0.470 386 N N 1.219 119.840 118.700 -0.132 0.000 2.245 386 N HA -0.139 4.615 4.740 0.024 0.000 0.185 386 N C 1.817 177.154 175.510 -0.288 0.000 1.036 386 N CA 1.205 54.129 53.050 -0.211 0.000 0.857 386 N CB 0.157 38.108 38.487 -0.893 0.000 1.015 386 N HN -0.058 nan 8.380 nan 0.000 0.436 387 E N 0.907 120.859 120.200 -0.412 0.000 2.077 387 E HA -0.100 4.265 4.350 0.024 0.000 0.193 387 E C 1.688 178.092 176.600 -0.328 0.000 0.989 387 E CA 1.497 57.719 56.400 -0.296 0.000 0.800 387 E CB -0.150 29.386 29.700 -0.273 0.000 0.746 387 E HN 0.479 nan 8.360 nan 0.000 0.452 388 Q N -0.203 119.339 119.800 -0.430 0.000 2.451 388 Q HA 0.209 4.564 4.340 0.024 0.000 0.206 388 Q C 0.078 175.966 176.000 -0.187 0.000 0.947 388 Q CA 0.265 55.875 55.803 -0.321 0.000 0.937 388 Q CB 0.325 28.860 28.738 -0.337 0.000 1.025 388 Q HN 0.234 nan 8.270 nan 0.000 0.511 389 A N 1.190 123.927 122.820 -0.138 0.000 2.511 389 A HA 0.437 4.772 4.320 0.024 0.000 0.242 389 A C -0.133 177.364 177.584 -0.145 0.000 1.069 389 A CA 0.166 52.112 52.037 -0.152 0.000 0.763 389 A CB 0.235 19.241 19.000 0.010 0.000 1.001 389 A HN 0.273 nan 8.150 nan 0.000 0.498 390 A N 2.597 125.268 122.820 -0.247 0.000 2.285 390 A HA 0.691 5.025 4.320 0.024 0.000 0.310 390 A C -0.715 176.739 177.584 -0.215 0.000 1.266 390 A CA -0.426 51.524 52.037 -0.145 0.000 0.832 390 A CB 0.176 19.093 19.000 -0.139 0.000 1.163 390 A HN 0.645 nan 8.150 nan 0.000 0.499 391 F N 1.099 121.059 119.950 0.016 0.000 2.422 391 F HA 0.616 5.157 4.527 0.024 0.000 0.333 391 F C 0.384 176.165 175.800 -0.033 0.000 1.095 391 F CA -0.061 57.927 58.000 -0.020 0.000 1.038 391 F CB 1.827 40.762 39.000 -0.108 0.000 1.156 391 F HN 0.751 nan 8.300 nan 0.000 0.483 392 H N 3.570 122.507 119.070 -0.221 0.000 3.128 392 H HA 0.264 4.835 4.556 0.025 0.000 0.336 392 H C -2.445 172.510 175.328 -0.621 0.000 1.026 392 H CA -1.728 53.943 56.048 -0.630 0.000 1.376 392 H CB 2.619 31.950 29.762 -0.717 0.000 1.882 392 H HN 0.190 nan 8.280 nan 0.000 0.479 393 P HA -0.020 nan 4.420 nan 0.000 0.230 393 P C 1.163 178.344 177.300 -0.197 0.000 1.158 393 P CA 1.282 64.095 63.100 -0.478 0.000 0.769 393 P CB 0.139 31.592 31.700 -0.411 0.000 0.807 394 G N -0.958 107.497 108.800 -0.575 0.000 2.598 394 G HA2 -0.156 3.819 3.960 0.024 0.000 0.215 394 G HA3 -0.156 3.819 3.960 0.024 0.000 0.215 394 G C 0.467 175.587 174.900 0.365 0.000 1.131 394 G CA 0.001 45.151 45.100 0.083 0.000 0.785 394 G HN 0.442 nan 8.290 nan 0.000 0.539 395 H N 0.719 119.909 119.070 0.200 0.000 3.092 395 H HA 0.333 4.903 4.556 0.023 0.000 0.263 395 H C 0.645 176.088 175.328 0.191 0.000 1.611 395 H CA -0.801 55.337 56.048 0.150 0.000 1.457 395 H CB -0.057 29.759 29.762 0.089 0.000 1.731 395 H HN 0.389 nan 8.280 nan 0.000 0.532 396 I N -0.354 120.350 120.570 0.222 0.000 3.474 396 I HA 0.686 4.870 4.170 0.024 0.000 0.294 396 I C -0.180 175.917 176.117 -0.033 0.000 1.185 396 I CA -1.351 59.991 61.300 0.071 0.000 1.003 396 I CB 1.815 39.751 38.000 -0.106 0.000 1.327 396 I HN 0.117 nan 8.210 nan 0.000 0.541 397 V N -2.506 117.371 119.914 -0.062 0.000 3.078 397 V HA 0.661 4.795 4.120 0.024 0.000 0.311 397 V C -2.901 173.282 176.094 0.149 0.000 1.138 397 V CA -2.400 59.921 62.300 0.035 0.000 1.007 397 V CB 1.061 32.883 31.823 -0.001 0.000 1.045 397 V HN 0.639 nan 8.190 nan 0.000 0.432 398 P HA 0.405 nan 4.420 nan 0.000 0.265 398 P C 0.921 178.218 177.300 -0.004 0.000 1.193 398 P CA 1.941 65.120 63.100 0.132 0.000 0.765 398 P CB 0.816 32.568 31.700 0.085 0.000 0.823 399 G N 1.326 110.074 108.800 -0.087 0.000 2.213 399 G HA2 -0.163 3.811 3.960 0.024 0.000 0.226 399 G HA3 -0.163 3.811 3.960 0.024 0.000 0.226 399 G C -0.231 174.575 174.900 -0.155 0.000 0.992 399 G CA -0.364 44.666 45.100 -0.118 0.000 0.632 399 G HN 0.442 nan 8.290 nan 0.000 0.511 400 L N -0.199 120.941 121.223 -0.138 0.000 2.301 400 L HA 0.950 5.304 4.340 0.024 0.000 0.264 400 L C -0.394 176.403 176.870 -0.122 0.000 1.016 400 L CA -1.093 53.642 54.840 -0.175 0.000 0.821 400 L CB 2.085 43.965 42.059 -0.299 0.000 1.346 400 L HN 0.093 nan 8.230 nan 0.000 0.429 401 D N -0.927 119.383 120.400 -0.150 0.000 2.692 401 D HA 0.442 5.096 4.640 0.024 0.000 0.290 401 D C -1.350 174.866 176.300 -0.141 0.000 1.281 401 D CA -0.363 53.502 54.000 -0.224 0.000 0.804 401 D CB 1.828 42.584 40.800 -0.074 0.000 1.331 401 D HN 0.136 nan 8.370 nan 0.000 0.432 402 F N -0.186 119.883 119.950 0.199 0.000 2.321 402 F HA 0.553 5.094 4.527 0.024 0.000 0.318 402 F C 1.475 177.286 175.800 0.018 0.000 1.129 402 F CA -0.282 57.762 58.000 0.074 0.000 1.074 402 F CB 1.129 40.146 39.000 0.028 0.000 1.432 402 F HN 0.208 nan 8.300 nan 0.000 0.502 403 T N -3.278 111.360 114.554 0.141 0.000 2.742 403 T HA 0.306 4.670 4.350 0.024 0.000 0.282 403 T C 0.013 174.744 174.700 0.052 0.000 1.025 403 T CA -0.954 61.219 62.100 0.121 0.000 1.020 403 T CB 1.139 70.058 68.868 0.086 0.000 1.317 403 T HN 0.340 nan 8.240 nan 0.000 0.538 404 N N 0.994 119.733 118.700 0.064 0.000 2.461 404 N HA 0.035 4.789 4.740 0.024 0.000 0.188 404 N C 0.147 175.662 175.510 0.009 0.000 1.134 404 N CA 0.139 53.207 53.050 0.031 0.000 0.878 404 N CB -0.502 38.020 38.487 0.059 0.000 0.972 404 N HN 0.697 nan 8.380 nan 0.000 0.456 405 D N 2.344 122.740 120.400 -0.007 0.000 3.061 405 D HA -0.113 4.541 4.640 0.024 0.000 0.226 405 D C -1.417 174.872 176.300 -0.017 0.000 1.168 405 D CA -0.576 53.435 54.000 0.018 0.000 0.822 405 D CB 1.108 41.854 40.800 -0.091 0.000 1.152 405 D HN 0.185 nan 8.370 nan 0.000 0.555 406 P HA -0.070 nan 4.420 nan 0.000 0.241 406 P C 1.516 178.826 177.300 0.017 0.000 1.191 406 P CA -0.014 63.093 63.100 0.012 0.000 0.771 406 P CB 0.443 32.145 31.700 0.002 0.000 0.929 407 L N -0.040 121.210 121.223 0.046 0.000 2.034 407 L HA -0.012 4.342 4.340 0.024 0.000 0.203 407 L C 2.392 179.167 176.870 -0.159 0.000 1.074 407 L CA 1.271 56.127 54.840 0.026 0.000 0.748 407 L CB -1.585 40.573 42.059 0.165 0.000 0.905 407 L HN -0.167 nan 8.230 nan 0.000 0.439 408 L N -0.371 120.584 121.223 -0.446 0.000 2.051 408 L HA -0.279 4.075 4.340 0.024 0.000 0.214 408 L C 2.491 179.105 176.870 -0.427 0.000 1.076 408 L CA 1.877 56.253 54.840 -0.772 0.000 0.758 408 L CB -0.910 40.478 42.059 -1.119 0.000 0.890 408 L HN 0.413 nan 8.230 nan 0.000 0.433 409 Q N -0.416 119.209 119.800 -0.292 0.000 2.096 409 Q HA -0.152 4.202 4.340 0.024 0.000 0.204 409 Q C 2.118 178.036 176.000 -0.137 0.000 0.982 409 Q CA 1.761 57.433 55.803 -0.217 0.000 0.850 409 Q CB -0.769 27.892 28.738 -0.129 0.000 0.901 409 Q HN 0.708 nan 8.270 nan 0.000 0.422 410 G N 0.568 109.317 108.800 -0.085 0.000 2.421 410 G HA2 -0.201 3.773 3.960 0.024 0.000 0.217 410 G HA3 -0.201 3.773 3.960 0.024 0.000 0.217 410 G C 1.504 176.419 174.900 0.025 0.000 1.143 410 G CA 0.132 45.230 45.100 -0.003 0.000 0.784 410 G HN 0.250 nan 8.290 nan 0.000 0.541 411 R N -0.042 120.421 120.500 -0.063 0.000 2.105 411 R HA -0.003 4.352 4.340 0.024 0.000 0.239 411 R C 2.481 178.859 176.300 0.129 0.000 1.135 411 R CA 0.956 57.078 56.100 0.037 0.000 0.967 411 R CB -0.513 29.777 30.300 -0.017 0.000 0.861 411 R HN 0.335 nan 8.270 nan 0.000 0.442 412 L N -0.376 120.821 121.223 -0.042 0.000 2.127 412 L HA -0.201 4.154 4.340 0.024 0.000 0.211 412 L C 2.325 179.334 176.870 0.232 0.000 1.089 412 L CA 1.142 55.973 54.840 -0.015 0.000 0.757 412 L CB -0.448 41.461 42.059 -0.251 0.000 0.899 412 L HN 0.151 nan 8.230 nan 0.000 0.434 413 F N 0.065 120.051 119.950 0.060 0.000 2.146 413 F HA -0.214 4.327 4.527 0.024 0.000 0.298 413 F C 2.787 178.629 175.800 0.071 0.000 1.096 413 F CA 1.684 59.715 58.000 0.052 0.000 1.275 413 F CB -0.212 38.796 39.000 0.013 0.000 1.008 413 F HN -0.042 nan 8.300 nan 0.000 0.480 414 S N -0.925 114.796 115.700 0.034 0.000 2.371 414 S HA -0.185 4.300 4.470 0.024 0.000 0.224 414 S C 1.988 176.464 174.600 -0.207 0.000 1.029 414 S CA 1.166 59.274 58.200 -0.153 0.000 0.978 414 S CB -0.757 62.374 63.200 -0.116 0.000 0.833 414 S HN 0.526 nan 8.310 nan 0.000 0.466 415 Y N 1.477 121.782 120.300 0.009 0.000 2.509 415 Y HA 0.013 4.577 4.550 0.024 0.000 0.293 415 Y C 2.779 178.342 175.900 -0.562 0.000 1.133 415 Y CA 1.189 59.302 58.100 0.022 0.000 1.283 415 Y CB -0.383 38.925 38.460 1.413 0.000 1.001 415 Y HN 0.281 nan 8.280 nan 0.000 0.555 416 T N -0.902 113.275 114.554 -0.629 0.000 2.852 416 T HA -0.144 4.221 4.350 0.024 0.000 0.256 416 T C 1.423 175.915 174.700 -0.347 0.000 1.038 416 T CA 1.410 63.230 62.100 -0.466 0.000 1.141 416 T CB -0.314 68.334 68.868 -0.366 0.000 0.869 416 T HN 0.333 nan 8.240 nan 0.000 0.439 417 D N 0.955 121.090 120.400 -0.441 0.000 2.104 417 D HA -0.128 4.526 4.640 0.024 0.000 0.194 417 D C 2.248 178.395 176.300 -0.255 0.000 0.994 417 D CA 1.625 55.389 54.000 -0.394 0.000 0.830 417 D CB -0.499 39.883 40.800 -0.697 0.000 0.959 417 D HN 0.223 nan 8.370 nan 0.000 0.452 418 T N -1.049 113.345 114.554 -0.268 0.000 2.881 418 T HA -0.140 4.225 4.350 0.024 0.000 0.270 418 T C 1.620 176.192 174.700 -0.212 0.000 1.068 418 T CA 1.213 63.194 62.100 -0.199 0.000 1.131 418 T CB -0.224 68.526 68.868 -0.197 0.000 0.871 418 T HN 0.155 nan 8.240 nan 0.000 0.479 419 Q N 0.587 120.185 119.800 -0.336 0.000 2.291 419 Q HA 0.027 4.381 4.340 0.024 0.000 0.205 419 Q C 2.248 178.127 176.000 -0.202 0.000 0.970 419 Q CA 0.592 56.138 55.803 -0.428 0.000 0.876 419 Q CB -0.405 27.646 28.738 -1.145 0.000 0.935 419 Q HN 0.514 nan 8.270 nan 0.000 0.455 420 I N 1.040 121.546 120.570 -0.106 0.000 2.264 420 I HA -0.226 3.959 4.170 0.024 0.000 0.248 420 I C 2.284 178.398 176.117 -0.003 0.000 1.111 420 I CA 1.773 63.072 61.300 -0.001 0.000 1.382 420 I CB -1.414 36.593 38.000 0.012 0.000 1.060 420 I HN 0.190 nan 8.210 nan 0.000 0.418 421 S N 0.291 115.975 115.700 -0.027 0.000 2.404 421 S HA -0.055 4.429 4.470 0.024 0.000 0.223 421 S C 2.159 176.750 174.600 -0.015 0.000 1.040 421 S CA 0.132 58.327 58.200 -0.009 0.000 0.957 421 S CB -0.379 62.819 63.200 -0.003 0.000 0.826 421 S HN 0.291 nan 8.310 nan 0.000 0.491 422 R N 0.982 121.454 120.500 -0.046 0.000 2.083 422 R HA 0.105 4.460 4.340 0.024 0.000 0.237 422 R C 1.398 177.677 176.300 -0.036 0.000 1.137 422 R CA 1.596 57.669 56.100 -0.045 0.000 0.951 422 R CB -0.277 29.974 30.300 -0.082 0.000 0.851 422 R HN 0.451 nan 8.270 nan 0.000 0.434 423 L N -0.916 120.276 121.223 -0.052 0.000 2.857 423 L HA 0.318 4.672 4.340 0.024 0.000 0.249 423 L C 0.811 177.699 176.870 0.030 0.000 1.172 423 L CA 0.265 55.093 54.840 -0.019 0.000 0.980 423 L CB 1.155 43.196 42.059 -0.030 0.000 1.299 423 L HN 0.574 nan 8.230 nan 0.000 0.535 424 G N 0.144 108.962 108.800 0.030 0.000 2.148 424 G HA2 -0.118 3.856 3.960 0.024 0.000 0.254 424 G HA3 -0.118 3.856 3.960 0.024 0.000 0.254 424 G C 0.464 175.406 174.900 0.070 0.000 0.981 424 G CA 0.148 45.275 45.100 0.045 0.000 0.670 424 G HN 0.779 nan 8.290 nan 0.000 0.528 425 G N -1.624 107.239 108.800 0.105 0.000 2.352 425 G HA2 0.581 4.555 3.960 0.024 0.000 0.283 425 G HA3 0.581 4.555 3.960 0.024 0.000 0.283 425 G C -2.224 172.808 174.900 0.220 0.000 1.308 425 G CA 0.388 45.563 45.100 0.126 0.000 0.892 425 G HN 0.504 nan 8.290 nan 0.000 0.504 426 P HA 0.155 nan 4.420 nan 0.000 0.255 426 P C 0.208 177.503 177.300 -0.008 0.000 1.248 426 P CA 0.322 63.509 63.100 0.145 0.000 0.807 426 P CB 0.195 31.946 31.700 0.086 0.000 1.150 427 N N 0.445 119.142 118.700 -0.006 0.000 2.327 427 N HA 0.072 4.826 4.740 0.024 0.000 0.231 427 N C 0.970 176.309 175.510 -0.285 0.000 1.130 427 N CA -0.181 52.759 53.050 -0.183 0.000 0.845 427 N CB -0.560 37.862 38.487 -0.109 0.000 1.073 427 N HN 0.261 nan 8.380 nan 0.000 0.496 428 F N 0.542 120.458 119.950 -0.057 0.000 2.451 428 F HA -0.050 4.491 4.527 0.022 0.000 0.299 428 F C 2.201 177.929 175.800 -0.119 0.000 1.101 428 F CA 0.693 58.639 58.000 -0.090 0.000 1.436 428 F CB -0.749 38.219 39.000 -0.052 0.000 1.074 428 F HN 0.182 nan 8.300 nan 0.000 0.553 429 H N 0.355 119.087 119.070 -0.564 0.000 2.546 429 H HA 0.092 4.663 4.556 0.025 0.000 0.277 429 H C 0.795 175.971 175.328 -0.254 0.000 1.004 429 H CA 1.281 57.081 56.048 -0.415 0.000 1.231 429 H CB -0.613 28.758 29.762 -0.653 0.000 1.382 429 H HN 0.521 nan 8.280 nan 0.000 0.580 430 E N 0.997 120.796 120.200 -0.668 0.000 2.474 430 E HA 0.187 4.552 4.350 0.024 0.000 0.194 430 E C 0.337 176.824 176.600 -0.189 0.000 1.041 430 E CA -0.285 55.876 56.400 -0.398 0.000 0.874 430 E CB 0.578 30.040 29.700 -0.396 0.000 0.914 430 E HN 0.445 nan 8.360 nan 0.000 0.498 431 I N 2.616 123.093 120.570 -0.155 0.000 2.598 431 I HA -0.042 4.142 4.170 0.024 0.000 0.284 431 I C -1.612 174.445 176.117 -0.099 0.000 1.140 431 I CA -1.341 59.898 61.300 -0.103 0.000 1.420 431 I CB 0.540 38.493 38.000 -0.078 0.000 1.387 431 I HN -0.212 nan 8.210 nan 0.000 0.553 432 P HA -0.211 nan 4.420 nan 0.000 0.216 432 P C 1.765 178.991 177.300 -0.123 0.000 1.153 432 P CA 1.150 64.193 63.100 -0.094 0.000 0.858 432 P CB 0.198 31.850 31.700 -0.080 0.000 0.789 433 I N -0.579 119.890 120.570 -0.167 0.000 2.335 433 I HA -0.216 3.968 4.170 0.024 0.000 0.251 433 I C 1.390 177.428 176.117 -0.131 0.000 1.129 433 I CA 1.726 62.877 61.300 -0.249 0.000 1.402 433 I CB -0.553 37.175 38.000 -0.453 0.000 1.069 433 I HN -0.104 nan 8.210 nan 0.000 0.424 434 N N 0.711 119.351 118.700 -0.100 0.000 2.446 434 N HA 0.008 4.762 4.740 0.024 0.000 0.179 434 N C 0.329 175.845 175.510 0.011 0.000 1.054 434 N CA 0.276 53.298 53.050 -0.047 0.000 0.905 434 N CB -0.174 38.304 38.487 -0.016 0.000 0.973 434 N HN 0.389 nan 8.380 nan 0.000 0.448 435 R N 1.569 122.069 120.500 -0.001 0.000 2.570 435 R HA 0.122 4.476 4.340 0.024 0.000 0.277 435 R C -2.207 174.149 176.300 0.092 0.000 1.039 435 R CA -1.118 54.987 56.100 0.009 0.000 1.065 435 R CB -0.243 30.049 30.300 -0.012 0.000 0.964 435 R HN 0.042 nan 8.270 nan 0.000 0.428 436 P HA -0.025 nan 4.420 nan 0.000 0.269 436 P C 0.566 177.931 177.300 0.108 0.000 1.215 436 P CA 0.080 63.250 63.100 0.116 0.000 0.780 436 P CB 0.654 32.384 31.700 0.051 0.000 0.898 437 T N -2.535 112.095 114.554 0.127 0.000 3.057 437 T HA 0.045 4.410 4.350 0.024 0.000 0.254 437 T C 0.933 175.671 174.700 0.064 0.000 1.094 437 T CA 0.056 62.187 62.100 0.052 0.000 1.088 437 T CB -0.991 67.892 68.868 0.026 0.000 0.934 437 T HN 0.577 nan 8.240 nan 0.000 0.497 438 C N 1.338 120.692 119.300 0.089 0.000 2.396 438 C HA 0.742 5.216 4.460 0.024 0.000 0.359 438 C C -2.398 172.648 174.990 0.092 0.000 1.307 438 C CA -2.483 56.587 59.018 0.086 0.000 2.392 438 C CB -0.144 27.653 27.740 0.095 0.000 2.245 438 C HN 0.173 nan 8.230 nan 0.000 0.615 439 P HA 0.271 nan 4.420 nan 0.000 0.268 439 P C -1.204 176.175 177.300 0.132 0.000 1.205 439 P CA 0.455 63.632 63.100 0.127 0.000 0.771 439 P CB -0.034 31.788 31.700 0.203 0.000 0.858 440 Y N 1.218 121.410 120.300 -0.181 0.000 2.373 440 Y HA 0.652 5.216 4.550 0.023 0.000 0.336 440 Y C -1.377 174.200 175.900 -0.537 0.000 0.979 440 Y CA -0.898 57.072 58.100 -0.216 0.000 1.080 440 Y CB 1.414 39.770 38.460 -0.173 0.000 1.190 440 Y HN 0.437 nan 8.280 nan 0.000 0.446 441 H N 3.979 122.954 119.070 -0.158 0.000 2.947 441 H HA 0.510 5.081 4.556 0.024 0.000 0.354 441 H C -1.169 174.040 175.328 -0.198 0.000 1.085 441 H CA -0.783 55.078 56.048 -0.311 0.000 1.253 441 H CB 1.615 31.225 29.762 -0.254 0.000 1.757 441 H HN 0.895 nan 8.280 nan 0.000 0.523 442 N N 0.430 119.019 118.700 -0.186 0.000 3.449 442 N HA 0.189 4.944 4.740 0.024 0.000 0.312 442 N C -1.194 174.082 175.510 -0.391 0.000 1.557 442 N CA -0.902 52.006 53.050 -0.238 0.000 0.864 442 N CB 0.649 39.160 38.487 0.039 0.000 1.799 442 N HN 0.301 nan 8.380 nan 0.000 0.554 443 F N -0.406 119.587 119.950 0.072 0.000 2.653 443 F HA 0.373 4.914 4.527 0.023 0.000 0.304 443 F C 0.445 176.289 175.800 0.073 0.000 1.092 443 F CA -0.341 57.696 58.000 0.062 0.000 1.279 443 F CB 0.255 39.288 39.000 0.054 0.000 1.044 443 F HN 0.153 nan 8.300 nan 0.000 0.564 444 Q N 1.735 121.645 119.800 0.183 0.000 2.364 444 Q HA 0.328 4.682 4.340 0.024 0.000 0.267 444 Q C 0.082 176.158 176.000 0.128 0.000 0.999 444 Q CA 0.192 56.081 55.803 0.144 0.000 0.886 444 Q CB 0.907 29.707 28.738 0.102 0.000 1.243 444 Q HN 0.111 nan 8.270 nan 0.000 0.415 445 R N 1.735 122.304 120.500 0.115 0.000 2.836 445 R HA 0.360 4.714 4.340 0.024 0.000 0.269 445 R C -0.629 175.719 176.300 0.079 0.000 1.010 445 R CA -0.660 55.498 56.100 0.096 0.000 0.930 445 R CB 1.315 31.674 30.300 0.099 0.000 1.218 445 R HN 0.720 nan 8.270 nan 0.000 0.473 446 D N -0.248 120.191 120.400 0.065 0.000 3.455 446 D HA -0.182 4.473 4.640 0.024 0.000 0.216 446 D C 0.353 176.685 176.300 0.054 0.000 1.510 446 D CA 1.956 55.986 54.000 0.051 0.000 1.128 446 D CB -1.117 39.713 40.800 0.049 0.000 0.680 446 D HN 0.916 nan 8.370 nan 0.000 0.828 447 G N -1.295 107.535 108.800 0.050 0.000 2.733 447 G HA2 0.154 4.129 3.960 0.024 0.000 0.686 447 G HA3 0.154 4.129 3.960 0.024 0.000 0.686 447 G C -0.257 174.675 174.900 0.054 0.000 1.373 447 G CA 0.061 45.194 45.100 0.054 0.000 0.838 447 G HN 0.798 nan 8.290 nan 0.000 0.588 448 M N 1.245 120.884 119.600 0.064 0.000 2.251 448 M HA 0.449 4.943 4.480 0.024 0.000 0.343 448 M C 1.085 177.464 176.300 0.131 0.000 1.245 448 M CA 1.436 56.784 55.300 0.081 0.000 1.061 448 M CB -0.668 31.982 32.600 0.084 0.000 1.723 448 M HN 1.564 nan 8.290 nan 0.000 0.449 449 H N 1.006 120.079 119.070 0.006 0.000 2.756 449 H HA -0.186 4.383 4.556 0.022 0.000 0.315 449 H C -0.579 174.739 175.328 -0.016 0.000 1.210 449 H CA 0.583 56.630 56.048 -0.001 0.000 1.150 449 H CB -0.607 29.158 29.762 0.005 0.000 1.463 449 H HN 0.676 nan 8.280 nan 0.000 0.427 450 R N 1.278 121.810 120.500 0.053 0.000 2.446 450 R HA 0.011 4.366 4.340 0.024 0.000 0.314 450 R C 1.017 177.327 176.300 0.017 0.000 1.003 450 R CA 0.232 56.351 56.100 0.030 0.000 1.018 450 R CB 0.238 30.551 30.300 0.020 0.000 0.945 450 R HN 0.393 nan 8.270 nan 0.000 0.419 451 M N 2.823 122.438 119.600 0.025 0.000 2.299 451 M HA 0.185 4.680 4.480 0.024 0.000 0.264 451 M C 0.988 177.287 176.300 -0.001 0.000 1.095 451 M CA 1.098 56.409 55.300 0.018 0.000 1.165 451 M CB -0.891 31.721 32.600 0.020 0.000 1.349 451 M HN 0.706 nan 8.290 nan 0.000 0.446 452 G N 2.070 110.872 108.800 0.002 0.000 2.313 452 G HA2 0.354 4.329 3.960 0.024 0.000 0.250 452 G HA3 0.354 4.329 3.960 0.024 0.000 0.250 452 G C -0.280 174.611 174.900 -0.014 0.000 1.281 452 G CA -0.347 44.747 45.100 -0.010 0.000 0.917 452 G HN 0.334 nan 8.290 nan 0.000 0.501 453 I N 3.151 123.706 120.570 -0.025 0.000 2.282 453 I HA 0.082 4.266 4.170 0.024 0.000 0.290 453 I C -0.202 175.899 176.117 -0.027 0.000 1.090 453 I CA -0.489 60.799 61.300 -0.020 0.000 1.231 453 I CB 0.710 38.699 38.000 -0.018 0.000 1.434 453 I HN 0.368 nan 8.210 nan 0.000 0.487 454 D N 4.910 125.299 120.400 -0.019 0.000 2.348 454 D HA 0.054 4.709 4.640 0.024 0.000 0.253 454 D C 1.225 177.521 176.300 -0.006 0.000 1.161 454 D CA 0.264 54.251 54.000 -0.022 0.000 0.876 454 D CB 1.782 42.575 40.800 -0.011 0.000 1.160 454 D HN 0.560 nan 8.370 nan 0.000 0.459 455 T N -0.814 113.732 114.554 -0.013 0.000 3.040 455 T HA -0.064 4.301 4.350 0.024 0.000 0.250 455 T C 0.869 175.574 174.700 0.008 0.000 1.058 455 T CA -0.531 61.567 62.100 -0.003 0.000 0.988 455 T CB 0.166 69.026 68.868 -0.014 0.000 0.993 455 T HN 0.122 nan 8.240 nan 0.000 0.519 456 N N 3.573 122.277 118.700 0.006 0.000 2.301 456 N HA 0.046 4.800 4.740 0.024 0.000 0.267 456 N C -1.668 173.880 175.510 0.065 0.000 1.304 456 N CA -1.258 51.810 53.050 0.030 0.000 0.851 456 N CB 1.282 39.782 38.487 0.022 0.000 1.070 456 N HN 0.105 nan 8.380 nan 0.000 0.483 457 P HA -0.061 nan 4.420 nan 0.000 0.218 457 P C -0.585 176.784 177.300 0.116 0.000 1.146 457 P CA 1.068 64.217 63.100 0.082 0.000 0.813 457 P CB 0.229 31.972 31.700 0.072 0.000 0.778 458 A N 0.458 123.342 122.820 0.107 0.000 2.317 458 A HA 0.415 4.750 4.320 0.024 0.000 0.327 458 A C 0.403 178.123 177.584 0.227 0.000 1.178 458 A CA -0.675 51.395 52.037 0.054 0.000 0.817 458 A CB 0.149 18.998 19.000 -0.251 0.000 1.189 458 A HN 0.263 nan 8.150 nan 0.000 0.489 459 N N 0.370 119.245 118.700 0.292 0.000 2.351 459 N HA 0.351 5.105 4.740 0.024 0.000 0.254 459 N C -0.863 174.850 175.510 0.338 0.000 1.241 459 N CA -0.350 52.950 53.050 0.417 0.000 0.883 459 N CB 0.291 38.956 38.487 0.296 0.000 1.202 459 N HN 0.690 nan 8.380 nan 0.000 0.512 460 Y N -1.052 119.147 120.300 -0.167 0.000 2.597 460 Y HA 0.669 5.233 4.550 0.023 0.000 0.340 460 Y C -1.383 173.912 175.900 -1.008 0.000 1.097 460 Y CA -1.383 56.430 58.100 -0.478 0.000 1.037 460 Y CB 1.066 39.399 38.460 -0.213 0.000 1.305 460 Y HN 0.063 nan 8.280 nan 0.000 0.463 461 E N 0.934 120.608 120.200 -0.876 0.000 2.367 461 E HA 0.658 5.022 4.350 0.024 0.000 0.273 461 E C -3.124 173.358 176.600 -0.196 0.000 0.903 461 E CA -2.151 53.854 56.400 -0.659 0.000 0.764 461 E CB 1.505 30.763 29.700 -0.736 0.000 1.252 461 E HN 0.550 nan 8.360 nan 0.000 0.446 462 P HA 0.245 nan 4.420 nan 0.000 0.271 462 P C -1.264 175.964 177.300 -0.119 0.000 1.218 462 P CA -0.390 62.634 63.100 -0.127 0.000 0.780 462 P CB 0.392 32.060 31.700 -0.054 0.000 0.901 463 N N -1.370 117.188 118.700 -0.238 0.000 2.242 463 N HA 0.312 5.066 4.740 0.024 0.000 0.292 463 N C 0.310 175.762 175.510 -0.097 0.000 1.125 463 N CA -0.772 52.143 53.050 -0.225 0.000 0.783 463 N CB 1.471 39.504 38.487 -0.756 0.000 1.558 463 N HN 0.182 nan 8.380 nan 0.000 0.472 464 S N 0.940 116.637 115.700 -0.005 0.000 2.492 464 S HA -0.023 4.461 4.470 0.024 0.000 0.218 464 S C 1.542 176.151 174.600 0.015 0.000 1.016 464 S CA 0.097 58.296 58.200 -0.003 0.000 0.916 464 S CB -0.802 62.410 63.200 0.021 0.000 0.791 464 S HN 0.716 nan 8.310 nan 0.000 0.513 465 I N -0.750 119.840 120.570 0.032 0.000 2.830 465 I HA 0.211 4.396 4.170 0.024 0.000 0.263 465 I C 1.229 177.378 176.117 0.053 0.000 1.230 465 I CA 1.205 62.538 61.300 0.055 0.000 1.480 465 I CB -0.391 37.664 38.000 0.093 0.000 1.095 465 I HN 0.179 nan 8.210 nan 0.000 0.455 466 N N 1.285 120.012 118.700 0.045 0.000 2.351 466 N HA 0.048 4.803 4.740 0.024 0.000 0.254 466 N C -0.141 175.461 175.510 0.154 0.000 1.241 466 N CA -0.076 53.041 53.050 0.111 0.000 0.883 466 N CB -0.046 38.522 38.487 0.135 0.000 1.202 466 N HN 0.205 nan 8.380 nan 0.000 0.512 467 D N 0.763 121.200 120.400 0.062 0.000 2.751 467 D HA -0.260 4.394 4.640 0.024 0.000 0.233 467 D C -0.135 176.031 176.300 -0.222 0.000 1.149 467 D CA 1.028 55.015 54.000 -0.021 0.000 0.682 467 D CB -1.411 39.444 40.800 0.092 0.000 1.068 467 D HN 0.507 nan 8.370 nan 0.000 0.429 468 N N -1.501 117.116 118.700 -0.138 0.000 2.741 468 N HA -0.247 4.507 4.740 0.024 0.000 0.251 468 N C -0.872 174.570 175.510 -0.114 0.000 1.112 468 N CA 1.451 54.397 53.050 -0.172 0.000 0.750 468 N CB -1.248 37.095 38.487 -0.240 0.000 1.119 468 N HN 0.567 nan 8.380 nan 0.000 0.561 469 W N 0.572 121.922 121.300 0.084 0.000 2.449 469 W HA 0.468 5.142 4.660 0.023 0.000 0.331 469 W C -1.676 174.888 176.519 0.076 0.000 1.119 469 W CA -1.805 55.574 57.345 0.056 0.000 1.240 469 W CB 0.928 30.372 29.460 -0.027 0.000 1.251 469 W HN -0.046 nan 8.180 nan 0.000 0.576 470 P HA 0.212 nan 4.420 nan 0.000 0.274 470 P C -0.751 176.738 177.300 0.315 0.000 1.231 470 P CA -0.118 63.158 63.100 0.293 0.000 0.790 470 P CB 1.084 32.779 31.700 -0.008 0.000 0.951 471 R N 0.810 121.494 120.500 0.307 0.000 2.732 471 R HA 0.332 4.686 4.340 0.024 0.000 0.278 471 R C 0.275 176.644 176.300 0.115 0.000 0.976 471 R CA -0.872 55.277 56.100 0.081 0.000 0.963 471 R CB 1.268 31.432 30.300 -0.227 0.000 1.150 471 R HN 0.498 nan 8.270 nan 0.000 0.478 472 E N 0.796 121.042 120.200 0.077 0.000 2.436 472 E HA 0.012 4.376 4.350 0.024 0.000 0.262 472 E C -0.533 176.104 176.600 0.061 0.000 1.063 472 E CA 0.731 57.177 56.400 0.076 0.000 0.944 472 E CB 0.603 30.334 29.700 0.051 0.000 0.950 472 E HN 0.346 nan 8.360 nan 0.000 0.444 473 T N 3.736 118.333 114.554 0.071 0.000 2.841 473 T HA 0.320 4.684 4.350 0.024 0.000 0.285 473 T C -2.414 172.316 174.700 0.049 0.000 0.991 473 T CA -1.567 60.571 62.100 0.063 0.000 0.966 473 T CB 1.362 70.278 68.868 0.079 0.000 0.962 473 T HN 0.284 nan 8.240 nan 0.000 0.438 474 P HA 0.232 nan 4.420 nan 0.000 0.269 474 P C -2.498 174.811 177.300 0.016 0.000 1.215 474 P CA -1.366 61.745 63.100 0.019 0.000 0.780 474 P CB -0.439 31.266 31.700 0.009 0.000 0.898 475 P HA 0.260 nan 4.420 nan 0.000 0.270 475 P C 0.026 177.318 177.300 -0.013 0.000 1.223 475 P CA 0.374 63.464 63.100 -0.017 0.000 0.785 475 P CB 0.613 32.283 31.700 -0.049 0.000 0.923 476 G N 0.388 109.178 108.800 -0.016 0.000 2.495 476 G HA2 0.390 4.365 3.960 0.024 0.000 0.294 476 G HA3 0.390 4.365 3.960 0.024 0.000 0.294 476 G C -2.489 172.403 174.900 -0.015 0.000 1.397 476 G CA -0.726 44.368 45.100 -0.011 0.000 0.790 476 G HN 0.166 nan 8.290 nan 0.000 0.486 477 P HA 0.077 nan 4.420 nan 0.000 0.220 477 P C 0.138 177.434 177.300 -0.006 0.000 1.148 477 P CA 1.199 64.291 63.100 -0.013 0.000 0.803 477 P CB 0.344 32.039 31.700 -0.009 0.000 0.782 478 K N -0.997 119.406 120.400 0.005 0.000 2.546 478 K HA 0.247 4.581 4.320 0.024 0.000 0.264 478 K C -0.027 176.589 176.600 0.026 0.000 0.937 478 K CA -0.797 55.499 56.287 0.016 0.000 0.833 478 K CB 2.216 34.726 32.500 0.017 0.000 1.378 478 K HN -0.280 nan 8.250 nan 0.000 0.432 479 R N -0.690 119.834 120.500 0.039 0.000 3.863 479 R HA -0.154 4.201 4.340 0.024 0.000 0.313 479 R C 0.208 176.538 176.300 0.050 0.000 1.202 479 R CA 1.117 57.246 56.100 0.049 0.000 0.852 479 R CB -2.192 28.135 30.300 0.046 0.000 1.292 479 R HN 0.933 nan 8.270 nan 0.000 0.519 480 G N -0.642 108.184 108.800 0.042 0.000 2.528 480 G HA2 0.566 4.540 3.960 0.024 0.000 0.289 480 G HA3 0.566 4.540 3.960 0.024 0.000 0.289 480 G C 0.433 175.369 174.900 0.061 0.000 1.192 480 G CA 0.102 45.226 45.100 0.040 0.000 0.921 480 G HN 0.251 nan 8.290 nan 0.000 0.512 481 G N -1.171 107.668 108.800 0.065 0.000 2.544 481 G HA2 0.374 4.349 3.960 0.024 0.000 0.242 481 G HA3 0.374 4.349 3.960 0.024 0.000 0.242 481 G C -0.539 174.422 174.900 0.103 0.000 1.247 481 G CA -0.505 44.655 45.100 0.099 0.000 0.840 481 G HN 0.468 nan 8.290 nan 0.000 0.578 482 F N 0.601 120.567 119.950 0.027 0.000 2.467 482 F HA 0.376 4.917 4.527 0.025 0.000 0.362 482 F C 0.566 176.381 175.800 0.025 0.000 1.090 482 F CA -0.172 57.839 58.000 0.018 0.000 1.202 482 F CB 0.830 39.843 39.000 0.022 0.000 1.113 482 F HN 0.445 nan 8.300 nan 0.000 0.541 483 E N 3.979 123.864 120.200 -0.525 0.000 2.234 483 E HA 0.308 4.672 4.350 0.024 0.000 0.266 483 E C -1.040 175.217 176.600 -0.572 0.000 0.877 483 E CA -0.799 55.413 56.400 -0.314 0.000 0.758 483 E CB 1.604 31.195 29.700 -0.182 0.000 1.170 483 E HN 0.624 nan 8.360 nan 0.000 0.415 484 S N 2.348 117.929 115.700 -0.198 0.000 2.572 484 S HA 0.001 4.485 4.470 0.024 0.000 0.279 484 S C -0.572 174.000 174.600 -0.046 0.000 1.341 484 S CA -0.310 57.859 58.200 -0.052 0.000 1.043 484 S CB 0.150 63.454 63.200 0.173 0.000 0.887 484 S HN 0.458 nan 8.310 nan 0.000 0.516 485 Y N 2.442 122.668 120.300 -0.124 0.000 2.620 485 Y HA -0.006 4.558 4.550 0.024 0.000 0.330 485 Y C 0.839 176.714 175.900 -0.042 0.000 1.186 485 Y CA 0.135 58.175 58.100 -0.100 0.000 1.467 485 Y CB 0.168 38.566 38.460 -0.103 0.000 1.262 485 Y HN 0.579 nan 8.280 nan 0.000 0.550 486 Q N 5.389 124.841 119.800 -0.580 0.000 3.254 486 Q HA 0.010 4.364 4.340 0.024 0.000 0.315 486 Q C -0.205 175.503 176.000 -0.487 0.000 1.405 486 Q CA -0.022 55.535 55.803 -0.410 0.000 0.966 486 Q CB -0.219 28.346 28.738 -0.289 0.000 1.706 486 Q HN 0.642 nan 8.270 nan 0.000 0.525 487 E N 1.605 121.601 120.200 -0.339 0.000 2.373 487 E HA 0.035 4.399 4.350 0.024 0.000 0.267 487 E C -0.403 176.160 176.600 -0.061 0.000 1.032 487 E CA -0.478 55.831 56.400 -0.152 0.000 0.889 487 E CB 0.762 30.526 29.700 0.107 0.000 0.984 487 E HN 0.262 nan 8.360 nan 0.000 0.425 488 R N 3.153 123.642 120.500 -0.019 0.000 2.389 488 R HA 0.199 4.554 4.340 0.024 0.000 0.295 488 R C -1.155 175.167 176.300 0.037 0.000 1.075 488 R CA -0.408 55.694 56.100 0.003 0.000 1.005 488 R CB 0.704 31.012 30.300 0.013 0.000 0.987 488 R HN 0.362 nan 8.270 nan 0.000 0.452 489 V N 4.319 124.248 119.914 0.025 0.000 2.459 489 V HA 0.375 4.510 4.120 0.024 0.000 0.295 489 V C -0.374 175.732 176.094 0.020 0.000 1.029 489 V CA -0.525 61.793 62.300 0.030 0.000 0.874 489 V CB 1.464 33.302 31.823 0.024 0.000 0.985 489 V HN 0.845 nan 8.190 nan 0.000 0.438 490 E N 2.702 122.916 120.200 0.022 0.000 2.313 490 E HA 0.645 5.009 4.350 0.024 0.000 0.280 490 E C -0.480 176.124 176.600 0.007 0.000 0.898 490 E CA -0.174 56.233 56.400 0.012 0.000 0.803 490 E CB 1.972 31.679 29.700 0.012 0.000 1.286 490 E HN 1.002 nan 8.360 nan 0.000 0.401 491 G N 2.747 111.547 108.800 -0.001 0.000 2.316 491 G HA2 0.109 4.083 3.960 0.024 0.000 0.296 491 G HA3 0.109 4.083 3.960 0.024 0.000 0.296 491 G C -1.479 173.414 174.900 -0.011 0.000 1.399 491 G CA -0.933 44.163 45.100 -0.007 0.000 0.833 491 G HN 0.402 nan 8.290 nan 0.000 0.565 492 N N 0.069 118.759 118.700 -0.016 0.000 2.476 492 N HA 0.366 5.120 4.740 0.024 0.000 0.275 492 N C -0.191 175.306 175.510 -0.022 0.000 1.190 492 N CA -0.329 52.711 53.050 -0.018 0.000 0.977 492 N CB 1.085 39.560 38.487 -0.019 0.000 1.200 492 N HN 0.463 nan 8.380 nan 0.000 0.515 493 K N 0.835 121.222 120.400 -0.023 0.000 2.363 493 K HA 0.213 4.548 4.320 0.024 0.000 0.289 493 K C -0.380 176.198 176.600 -0.036 0.000 1.063 493 K CA -0.182 56.088 56.287 -0.029 0.000 0.967 493 K CB -0.016 32.468 32.500 -0.026 0.000 0.987 493 K HN 0.339 nan 8.250 nan 0.000 0.473 494 V N 0.243 120.131 119.914 -0.045 0.000 3.007 494 V HA 0.488 4.622 4.120 0.024 0.000 0.311 494 V C -0.573 175.480 176.094 -0.067 0.000 1.120 494 V CA -1.348 60.922 62.300 -0.051 0.000 0.980 494 V CB 2.061 33.855 31.823 -0.049 0.000 1.033 494 V HN 0.633 nan 8.190 nan 0.000 0.429 495 R N 2.119 122.575 120.500 -0.073 0.000 2.346 495 R HA 0.601 4.955 4.340 0.024 0.000 0.309 495 R C -0.588 175.664 176.300 -0.080 0.000 1.119 495 R CA -0.150 55.894 56.100 -0.094 0.000 1.112 495 R CB 0.882 31.114 30.300 -0.114 0.000 1.132 495 R HN 0.938 nan 8.270 nan 0.000 0.538 496 E N 2.108 122.257 120.200 -0.084 0.000 2.304 496 E HA 0.219 4.583 4.350 0.024 0.000 0.277 496 E C -1.266 175.270 176.600 -0.108 0.000 0.898 496 E CA -0.981 55.373 56.400 -0.077 0.000 0.764 496 E CB 1.611 31.271 29.700 -0.067 0.000 1.216 496 E HN 0.141 nan 8.360 nan 0.000 0.419 497 R N 1.791 122.233 120.500 -0.097 0.000 2.438 497 R HA 0.208 4.562 4.340 0.024 0.000 0.287 497 R C -0.481 175.709 176.300 -0.184 0.000 1.077 497 R CA 0.090 56.098 56.100 -0.153 0.000 1.034 497 R CB 1.177 31.441 30.300 -0.061 0.000 0.993 497 R HN 0.388 nan 8.270 nan 0.000 0.459 498 S N 4.669 120.150 115.700 -0.365 0.000 2.537 498 S HA 0.123 4.608 4.470 0.024 0.000 0.286 498 S C -1.586 172.980 174.600 -0.055 0.000 1.299 498 S CA -1.208 56.853 58.200 -0.232 0.000 1.067 498 S CB 0.715 63.713 63.200 -0.337 0.000 0.864 498 S HN 0.543 nan 8.310 nan 0.000 0.494 499 P HA -0.077 nan 4.420 nan 0.000 0.222 499 P C 1.499 178.847 177.300 0.081 0.000 1.147 499 P CA 1.011 64.130 63.100 0.031 0.000 0.790 499 P CB -0.076 31.632 31.700 0.013 0.000 0.780 500 S N -1.859 113.926 115.700 0.143 0.000 2.442 500 S HA -0.138 4.346 4.470 0.024 0.000 0.236 500 S C 1.456 176.221 174.600 0.275 0.000 1.007 500 S CA 0.987 59.307 58.200 0.201 0.000 0.965 500 S CB -1.392 61.961 63.200 0.255 0.000 0.773 500 S HN -0.003 nan 8.310 nan 0.000 0.504 501 F N 2.199 122.139 119.950 -0.018 0.000 2.789 501 F HA 0.383 4.925 4.527 0.024 0.000 0.300 501 F C 2.060 177.792 175.800 -0.113 0.000 1.132 501 F CA -0.763 57.222 58.000 -0.025 0.000 1.404 501 F CB -0.683 38.334 39.000 0.027 0.000 1.114 501 F HN 0.353 nan 8.300 nan 0.000 0.584 502 G N 0.303 109.095 108.800 -0.013 0.000 3.452 502 G HA2 0.025 3.999 3.960 0.024 0.000 0.258 502 G HA3 0.025 3.999 3.960 0.024 0.000 0.258 502 G C 0.107 174.547 174.900 -0.767 0.000 1.305 502 G CA 0.144 45.050 45.100 -0.323 0.000 1.514 502 G HN 0.055 nan 8.290 nan 0.000 0.593 503 E N -0.137 119.589 120.200 -0.789 0.000 2.256 503 E HA 0.373 4.737 4.350 0.024 0.000 0.268 503 E C -0.805 175.387 176.600 -0.680 0.000 0.877 503 E CA -0.798 55.206 56.400 -0.660 0.000 0.757 503 E CB 1.580 31.138 29.700 -0.235 0.000 1.183 503 E HN 0.181 nan 8.360 nan 0.000 0.418 504 Y N 2.485 122.576 120.300 -0.347 0.000 2.423 504 Y HA 0.179 4.744 4.550 0.024 0.000 0.257 504 Y C 0.830 176.459 175.900 -0.452 0.000 1.087 504 Y CA -0.100 57.696 58.100 -0.506 0.000 1.258 504 Y CB 0.363 38.347 38.460 -0.795 0.000 1.237 504 Y HN 0.438 nan 8.280 nan 0.000 0.517 505 Y N -0.988 119.407 120.300 0.158 0.000 2.535 505 Y HA 0.073 4.637 4.550 0.024 0.000 0.266 505 Y C 2.452 178.422 175.900 0.117 0.000 1.088 505 Y CA 0.292 58.477 58.100 0.142 0.000 1.285 505 Y CB -0.376 38.167 38.460 0.139 0.000 1.166 505 Y HN 0.059 nan 8.280 nan 0.000 0.525 506 S N -0.916 114.922 115.700 0.229 0.000 2.406 506 S HA -0.162 4.322 4.470 0.024 0.000 0.228 506 S C 1.452 176.131 174.600 0.131 0.000 1.020 506 S CA 1.348 59.663 58.200 0.193 0.000 0.965 506 S CB -0.565 62.744 63.200 0.182 0.000 0.798 506 S HN 0.408 nan 8.310 nan 0.000 0.488 507 H N 3.040 122.034 119.070 -0.127 0.000 2.357 507 H HA 0.157 4.727 4.556 0.024 0.000 0.301 507 H C -0.662 174.478 175.328 -0.313 0.000 1.082 507 H CA 1.470 57.294 56.048 -0.374 0.000 1.342 507 H CB -1.808 27.476 29.762 -0.797 0.000 1.389 507 H HN 0.384 nan 8.280 nan 0.000 0.511 508 P HA -0.203 nan 4.420 nan 0.000 0.216 508 P C 1.504 179.002 177.300 0.330 0.000 1.154 508 P CA 1.804 65.076 63.100 0.287 0.000 0.865 508 P CB 0.068 31.958 31.700 0.317 0.000 0.789 509 R N -0.473 120.170 120.500 0.238 0.000 2.075 509 R HA -0.118 4.237 4.340 0.024 0.000 0.232 509 R C 2.206 178.643 176.300 0.228 0.000 1.126 509 R CA 1.126 57.370 56.100 0.240 0.000 0.963 509 R CB -1.065 29.337 30.300 0.169 0.000 0.858 509 R HN 0.066 nan 8.270 nan 0.000 0.435 510 L N 0.477 121.772 121.223 0.120 0.000 2.042 510 L HA -0.141 4.213 4.340 0.024 0.000 0.210 510 L C 1.987 178.922 176.870 0.108 0.000 1.076 510 L CA 1.738 56.611 54.840 0.056 0.000 0.749 510 L CB -0.663 41.353 42.059 -0.072 0.000 0.893 510 L HN 0.240 nan 8.230 nan 0.000 0.432 511 F N -0.705 119.277 119.950 0.053 0.000 2.075 511 F HA -0.281 4.261 4.527 0.024 0.000 0.297 511 F C 2.344 178.152 175.800 0.014 0.000 1.113 511 F CA 2.189 60.207 58.000 0.029 0.000 1.218 511 F CB -0.655 38.405 39.000 0.100 0.000 0.984 511 F HN 0.383 nan 8.300 nan 0.000 0.472 512 W N 1.431 122.760 121.300 0.049 0.000 2.304 512 W HA -0.280 4.394 4.660 0.024 0.000 0.315 512 W C 1.706 178.113 176.519 -0.186 0.000 1.233 512 W CA 1.957 59.258 57.345 -0.074 0.000 1.261 512 W CB -0.785 28.713 29.460 0.063 0.000 1.150 512 W HN 0.105 nan 8.180 nan 0.000 0.494 513 L N 1.044 122.192 121.223 -0.125 0.000 2.465 513 L HA -0.134 4.220 4.340 0.024 0.000 0.224 513 L C 2.345 179.026 176.870 -0.316 0.000 1.145 513 L CA 0.938 55.636 54.840 -0.237 0.000 0.834 513 L CB -0.580 41.465 42.059 -0.023 0.000 0.944 513 L HN -0.139 nan 8.230 nan 0.000 0.451 514 S N -1.505 113.983 115.700 -0.354 0.000 2.528 514 S HA 0.061 4.545 4.470 0.024 0.000 0.219 514 S C 0.750 175.056 174.600 -0.491 0.000 0.985 514 S CA 0.064 58.050 58.200 -0.357 0.000 0.914 514 S CB 0.082 63.100 63.200 -0.303 0.000 0.776 514 S HN 0.295 nan 8.310 nan 0.000 0.526 515 Q N 2.141 121.542 119.800 -0.666 0.000 2.260 515 Q HA 0.285 4.639 4.340 0.024 0.000 0.242 515 Q C 0.647 176.248 176.000 -0.665 0.000 0.932 515 Q CA -0.093 55.280 55.803 -0.716 0.000 0.891 515 Q CB 0.412 28.660 28.738 -0.817 0.000 1.222 515 Q HN 0.425 nan 8.270 nan 0.000 0.453 516 T N -1.905 112.208 114.554 -0.735 0.000 2.701 516 T HA 0.148 4.512 4.350 0.024 0.000 0.303 516 T C -1.771 172.451 174.700 -0.798 0.000 1.030 516 T CA -1.228 60.390 62.100 -0.803 0.000 1.010 516 T CB 0.224 68.304 68.868 -1.313 0.000 1.007 516 T HN 0.223 nan 8.240 nan 0.000 0.532 517 P HA 0.033 nan 4.420 nan 0.000 0.217 517 P C 1.400 178.484 177.300 -0.360 0.000 1.151 517 P CA 0.824 63.695 63.100 -0.382 0.000 0.828 517 P CB -0.239 31.362 31.700 -0.165 0.000 0.788 518 F N -0.104 119.651 119.950 -0.326 0.000 2.234 518 F HA 0.004 4.546 4.527 0.024 0.000 0.299 518 F C 1.817 177.264 175.800 -0.589 0.000 1.087 518 F CA 0.906 58.651 58.000 -0.425 0.000 1.340 518 F CB -1.698 37.022 39.000 -0.466 0.000 1.031 518 F HN -0.093 nan 8.300 nan 0.000 0.500 519 E N 0.498 120.166 120.200 -0.887 0.000 2.077 519 E HA -0.210 4.155 4.350 0.024 0.000 0.193 519 E C 2.244 178.660 176.600 -0.307 0.000 0.989 519 E CA 1.407 57.479 56.400 -0.547 0.000 0.800 519 E CB -0.264 29.059 29.700 -0.629 0.000 0.746 519 E HN 0.618 nan 8.360 nan 0.000 0.452 520 Q N 0.262 119.803 119.800 -0.432 0.000 2.050 520 Q HA -0.198 4.156 4.340 0.024 0.000 0.202 520 Q C 2.295 178.343 176.000 0.079 0.000 0.980 520 Q CA 1.394 56.983 55.803 -0.356 0.000 0.840 520 Q CB -0.176 28.090 28.738 -0.786 0.000 0.898 520 Q HN 0.125 nan 8.270 nan 0.000 0.424 521 R N 0.182 120.700 120.500 0.031 0.000 2.091 521 R HA -0.194 4.161 4.340 0.024 0.000 0.238 521 R C 1.724 178.214 176.300 0.317 0.000 1.136 521 R CA 1.876 58.085 56.100 0.181 0.000 0.959 521 R CB -0.292 30.095 30.300 0.145 0.000 0.856 521 R HN 0.468 nan 8.270 nan 0.000 0.437 522 H N -0.365 118.801 119.070 0.160 0.000 2.423 522 H HA -0.057 4.514 4.556 0.024 0.000 0.297 522 H C 2.155 177.605 175.328 0.204 0.000 1.075 522 H CA 1.246 57.404 56.048 0.184 0.000 1.342 522 H CB 0.021 29.896 29.762 0.188 0.000 1.395 522 H HN 0.246 nan 8.280 nan 0.000 0.530 523 I N 0.174 120.967 120.570 0.371 0.000 2.202 523 I HA -0.249 3.935 4.170 0.024 0.000 0.242 523 I C 2.353 178.767 176.117 0.496 0.000 1.091 523 I CA 0.754 62.312 61.300 0.431 0.000 1.368 523 I CB -0.198 38.151 38.000 0.581 0.000 1.058 523 I HN 0.071 nan 8.210 nan 0.000 0.410 524 V N 0.971 121.163 119.914 0.465 0.000 2.282 524 V HA -0.338 3.796 4.120 0.024 0.000 0.249 524 V C 2.026 178.299 176.094 0.298 0.000 1.057 524 V CA 2.162 64.677 62.300 0.359 0.000 1.032 524 V CB -0.660 31.332 31.823 0.282 0.000 0.645 524 V HN 0.423 nan 8.190 nan 0.000 0.447 525 D N 0.108 120.667 120.400 0.266 0.000 2.183 525 D HA -0.057 4.597 4.640 0.024 0.000 0.203 525 D C 2.144 178.535 176.300 0.151 0.000 0.969 525 D CA 1.395 55.519 54.000 0.206 0.000 0.842 525 D CB -0.448 40.474 40.800 0.203 0.000 0.957 525 D HN 0.480 nan 8.370 nan 0.000 0.484 526 G N -0.088 108.783 108.800 0.118 0.000 2.394 526 G HA2 -0.220 3.754 3.960 0.024 0.000 0.214 526 G HA3 -0.220 3.754 3.960 0.024 0.000 0.214 526 G C 1.426 176.334 174.900 0.012 0.000 1.176 526 G CA 0.061 45.138 45.100 -0.039 0.000 0.786 526 G HN 0.162 nan 8.290 nan 0.000 0.533 527 F N 1.894 121.891 119.950 0.077 0.000 2.161 527 F HA -0.086 4.455 4.527 0.024 0.000 0.300 527 F C 3.123 178.843 175.800 -0.133 0.000 1.089 527 F CA 1.626 59.605 58.000 -0.036 0.000 1.282 527 F CB -0.206 38.780 39.000 -0.022 0.000 1.010 527 F HN 0.086 nan 8.300 nan 0.000 0.485 528 S N -0.436 115.359 115.700 0.159 0.000 2.371 528 S HA -0.167 4.317 4.470 0.024 0.000 0.224 528 S C 1.846 176.457 174.600 0.019 0.000 1.029 528 S CA 0.978 59.216 58.200 0.063 0.000 0.978 528 S CB -0.665 62.597 63.200 0.103 0.000 0.833 528 S HN 0.401 nan 8.310 nan 0.000 0.466 529 F N 2.566 122.476 119.950 -0.066 0.000 2.146 529 F HA -0.044 4.497 4.527 0.024 0.000 0.298 529 F C 2.311 178.043 175.800 -0.113 0.000 1.096 529 F CA 1.324 59.273 58.000 -0.084 0.000 1.275 529 F CB -0.194 38.705 39.000 -0.168 0.000 1.008 529 F HN 0.107 nan 8.300 nan 0.000 0.480 530 E N 0.577 120.731 120.200 -0.077 0.000 2.047 530 E HA -0.187 4.177 4.350 0.024 0.000 0.191 530 E C 2.378 178.762 176.600 -0.359 0.000 0.987 530 E CA 1.503 57.824 56.400 -0.132 0.000 0.799 530 E CB -0.509 29.254 29.700 0.105 0.000 0.752 530 E HN 0.463 nan 8.360 nan 0.000 0.449 531 L N 1.431 122.355 121.223 -0.498 0.000 2.201 531 L HA -0.134 4.220 4.340 0.024 0.000 0.212 531 L C 2.711 179.402 176.870 -0.298 0.000 1.105 531 L CA 1.107 55.636 54.840 -0.517 0.000 0.775 531 L CB -0.451 41.332 42.059 -0.460 0.000 0.913 531 L HN 0.146 nan 8.230 nan 0.000 0.440 532 S N -0.639 114.900 115.700 -0.269 0.000 2.474 532 S HA -0.112 4.372 4.470 0.024 0.000 0.235 532 S C 1.722 176.193 174.600 -0.215 0.000 0.997 532 S CA 0.634 58.703 58.200 -0.218 0.000 0.949 532 S CB -0.105 62.973 63.200 -0.204 0.000 0.766 532 S HN 0.294 nan 8.310 nan 0.000 0.517 533 K N 1.126 121.376 120.400 -0.250 0.000 2.404 533 K HA 0.326 4.660 4.320 0.024 0.000 0.194 533 K C -0.152 176.434 176.600 -0.024 0.000 1.023 533 K CA 0.002 56.206 56.287 -0.137 0.000 1.094 533 K CB 0.230 32.645 32.500 -0.141 0.000 0.841 533 K HN 0.308 nan 8.250 nan 0.000 0.523 534 V N 2.018 121.894 119.914 -0.064 0.000 2.406 534 V HA 0.019 4.153 4.120 0.024 0.000 0.272 534 V C 1.602 177.679 176.094 -0.028 0.000 1.043 534 V CA -0.094 62.198 62.300 -0.013 0.000 0.915 534 V CB 1.535 33.316 31.823 -0.070 0.000 0.988 534 V HN -0.123 nan 8.190 nan 0.000 0.466 535 V N 5.200 125.123 119.914 0.015 0.000 2.591 535 V HA 0.012 4.146 4.120 0.024 0.000 0.249 535 V C 1.300 177.385 176.094 -0.015 0.000 1.053 535 V CA 1.088 63.395 62.300 0.012 0.000 1.068 535 V CB -0.424 31.425 31.823 0.045 0.000 0.689 535 V HN 0.734 nan 8.190 nan 0.000 0.462 536 R N 0.932 121.400 120.500 -0.053 0.000 2.248 536 R HA 0.180 4.535 4.340 0.024 0.000 0.337 536 R C -1.668 174.527 176.300 -0.174 0.000 1.085 536 R CA -1.394 54.653 56.100 -0.089 0.000 0.934 536 R CB 0.685 30.874 30.300 -0.186 0.000 1.034 536 R HN 0.238 nan 8.270 nan 0.000 0.465 537 P HA -0.219 nan 4.420 nan 0.000 0.218 537 P C 0.725 177.988 177.300 -0.061 0.000 1.148 537 P CA 1.172 64.243 63.100 -0.047 0.000 0.822 537 P CB -0.016 31.694 31.700 0.016 0.000 0.784 538 Y N -1.126 119.175 120.300 0.001 0.000 2.256 538 Y HA -0.126 4.438 4.550 0.024 0.000 0.288 538 Y C 1.923 177.830 175.900 0.013 0.000 1.155 538 Y CA 0.839 58.941 58.100 0.004 0.000 1.203 538 Y CB -1.779 36.684 38.460 0.005 0.000 0.980 538 Y HN -0.095 nan 8.280 nan 0.000 0.530 539 I N 0.790 120.927 120.570 -0.722 0.000 2.252 539 I HA -0.230 3.955 4.170 0.024 0.000 0.245 539 I C 2.548 178.569 176.117 -0.159 0.000 1.102 539 I CA 1.308 62.357 61.300 -0.419 0.000 1.385 539 I CB -0.400 37.351 38.000 -0.415 0.000 1.064 539 I HN 0.168 nan 8.210 nan 0.000 0.414 540 R N 0.880 121.279 120.500 -0.168 0.000 2.091 540 R HA -0.205 4.149 4.340 0.024 0.000 0.238 540 R C 2.144 178.394 176.300 -0.084 0.000 1.136 540 R CA 1.658 57.675 56.100 -0.139 0.000 0.959 540 R CB -0.447 29.770 30.300 -0.138 0.000 0.856 540 R HN 0.468 nan 8.270 nan 0.000 0.437 541 E N 0.354 120.526 120.200 -0.047 0.000 2.077 541 E HA -0.169 4.195 4.350 0.024 0.000 0.193 541 E C 2.147 178.753 176.600 0.011 0.000 0.989 541 E CA 1.040 57.434 56.400 -0.010 0.000 0.800 541 E CB -0.038 29.681 29.700 0.030 0.000 0.746 541 E HN 0.302 nan 8.360 nan 0.000 0.452 542 R N 0.366 120.888 120.500 0.036 0.000 2.092 542 R HA -0.086 4.268 4.340 0.024 0.000 0.231 542 R C 2.411 178.744 176.300 0.056 0.000 1.119 542 R CA 0.952 57.089 56.100 0.062 0.000 0.970 542 R CB -0.234 30.121 30.300 0.091 0.000 0.864 542 R HN 0.051 nan 8.270 nan 0.000 0.440 543 V N 0.429 120.369 119.914 0.044 0.000 2.358 543 V HA -0.200 3.934 4.120 0.024 0.000 0.246 543 V C 2.317 178.406 176.094 -0.010 0.000 1.047 543 V CA 1.482 63.825 62.300 0.071 0.000 1.035 543 V CB -0.317 31.565 31.823 0.099 0.000 0.658 543 V HN 0.112 nan 8.190 nan 0.000 0.452 544 V N 0.684 120.561 119.914 -0.060 0.000 2.332 544 V HA -0.340 3.794 4.120 0.024 0.000 0.248 544 V C 2.323 178.375 176.094 -0.070 0.000 1.055 544 V CA 2.576 64.815 62.300 -0.102 0.000 1.038 544 V CB -0.704 31.061 31.823 -0.097 0.000 0.651 544 V HN 0.677 nan 8.190 nan 0.000 0.450 545 D N -1.025 119.368 120.400 -0.012 0.000 2.117 545 D HA -0.184 4.471 4.640 0.024 0.000 0.197 545 D C 2.268 178.641 176.300 0.121 0.000 0.987 545 D CA 1.075 55.093 54.000 0.029 0.000 0.829 545 D CB -0.025 40.817 40.800 0.070 0.000 0.961 545 D HN 0.336 nan 8.370 nan 0.000 0.460 546 Q N 0.000 119.870 119.800 0.117 0.000 2.050 546 Q HA -0.116 4.238 4.340 0.024 0.000 0.202 546 Q C 2.601 178.645 176.000 0.074 0.000 0.980 546 Q CA 0.807 56.704 55.803 0.157 0.000 0.840 546 Q CB -0.467 28.371 28.738 0.167 0.000 0.898 546 Q HN 0.458 nan 8.270 nan 0.000 0.424 547 L N 0.210 121.406 121.223 -0.045 0.000 2.189 547 L HA -0.185 4.169 4.340 0.024 0.000 0.214 547 L C 2.344 179.092 176.870 -0.204 0.000 1.097 547 L CA 1.053 55.784 54.840 -0.182 0.000 0.764 547 L CB -0.710 41.134 42.059 -0.358 0.000 0.900 547 L HN 0.121 nan 8.230 nan 0.000 0.436 548 A N -0.792 121.921 122.820 -0.179 0.000 2.066 548 A HA -0.171 4.163 4.320 0.024 0.000 0.218 548 A C 1.760 179.132 177.584 -0.353 0.000 1.157 548 A CA 1.060 52.945 52.037 -0.252 0.000 0.670 548 A CB -0.675 18.176 19.000 -0.249 0.000 0.804 548 A HN 0.451 nan 8.150 nan 0.000 0.453 549 H N -1.004 117.863 119.070 -0.339 0.000 2.547 549 H HA 0.222 4.793 4.556 0.024 0.000 0.272 549 H C 1.552 176.603 175.328 -0.462 0.000 0.989 549 H CA 1.118 56.824 56.048 -0.570 0.000 1.214 549 H CB 0.054 29.073 29.762 -1.239 0.000 1.389 549 H HN 0.508 nan 8.280 nan 0.000 0.577 550 I N -1.184 119.285 120.570 -0.168 0.000 2.899 550 I HA 0.096 4.280 4.170 0.024 0.000 0.257 550 I C -0.118 175.930 176.117 -0.116 0.000 1.115 550 I CA 0.409 61.681 61.300 -0.047 0.000 1.451 550 I CB 0.646 38.656 38.000 0.016 0.000 1.251 550 I HN 0.099 nan 8.210 nan 0.000 0.456 551 D N -0.835 119.421 120.400 -0.241 0.000 2.795 551 D HA 0.195 4.849 4.640 0.024 0.000 0.206 551 D C 0.223 176.342 176.300 -0.302 0.000 1.278 551 D CA -0.363 53.472 54.000 -0.274 0.000 0.839 551 D CB 1.237 41.747 40.800 -0.484 0.000 1.700 551 D HN -0.206 nan 8.370 nan 0.000 0.549 552 L N 2.457 123.567 121.223 -0.188 0.000 2.109 552 L HA -0.002 4.353 4.340 0.024 0.000 0.207 552 L C 2.083 178.862 176.870 -0.152 0.000 1.086 552 L CA 1.543 56.285 54.840 -0.164 0.000 0.760 552 L CB -1.438 40.555 42.059 -0.110 0.000 0.910 552 L HN 0.633 nan 8.230 nan 0.000 0.437 553 T N 0.367 114.856 114.554 -0.108 0.000 2.652 553 T HA -0.221 4.143 4.350 0.024 0.000 0.267 553 T C 2.027 176.644 174.700 -0.138 0.000 1.039 553 T CA 1.104 63.182 62.100 -0.036 0.000 1.153 553 T CB -0.386 68.562 68.868 0.133 0.000 0.863 553 T HN 0.197 nan 8.240 nan 0.000 0.428 554 L N 0.827 121.785 121.223 -0.442 0.000 1.997 554 L HA -0.236 4.118 4.340 0.024 0.000 0.216 554 L C 2.791 179.419 176.870 -0.403 0.000 1.074 554 L CA 2.229 56.645 54.840 -0.706 0.000 0.763 554 L CB -0.850 40.444 42.059 -1.275 0.000 0.890 554 L HN 0.337 nan 8.230 nan 0.000 0.434 555 A N -0.846 121.754 122.820 -0.366 0.000 1.902 555 A HA -0.269 4.065 4.320 0.024 0.000 0.217 555 A C 2.048 179.524 177.584 -0.180 0.000 1.181 555 A CA 1.729 53.600 52.037 -0.276 0.000 0.623 555 A CB -0.541 18.314 19.000 -0.241 0.000 0.818 555 A HN 0.659 nan 8.150 nan 0.000 0.443 556 Q N -0.787 118.929 119.800 -0.140 0.000 2.124 556 Q HA -0.095 4.260 4.340 0.024 0.000 0.202 556 Q C 2.412 178.378 176.000 -0.056 0.000 0.977 556 Q CA 1.345 57.098 55.803 -0.082 0.000 0.850 556 Q CB -0.348 28.357 28.738 -0.056 0.000 0.901 556 Q HN 0.695 nan 8.270 nan 0.000 0.429 557 A N 0.131 122.921 122.820 -0.050 0.000 1.898 557 A HA -0.101 4.233 4.320 0.024 0.000 0.216 557 A C 2.277 179.856 177.584 -0.008 0.000 1.181 557 A CA 1.078 53.115 52.037 0.000 0.000 0.620 557 A CB -0.474 18.557 19.000 0.051 0.000 0.819 557 A HN 0.200 nan 8.150 nan 0.000 0.442 558 V N -0.160 119.718 119.914 -0.060 0.000 2.379 558 V HA -0.187 3.947 4.120 0.024 0.000 0.245 558 V C 3.045 179.102 176.094 -0.061 0.000 1.044 558 V CA 1.706 63.971 62.300 -0.059 0.000 1.036 558 V CB -1.144 30.590 31.823 -0.148 0.000 0.664 558 V HN 0.597 nan 8.190 nan 0.000 0.453 559 A N -0.045 122.727 122.820 -0.080 0.000 1.883 559 A HA -0.310 4.025 4.320 0.024 0.000 0.217 559 A C 2.322 179.885 177.584 -0.035 0.000 1.186 559 A CA 2.395 54.394 52.037 -0.063 0.000 0.624 559 A CB -0.548 18.411 19.000 -0.068 0.000 0.822 559 A HN 0.521 nan 8.150 nan 0.000 0.444 560 K N -0.439 119.947 120.400 -0.022 0.000 2.044 560 K HA -0.217 4.118 4.320 0.024 0.000 0.210 560 K C 1.608 178.212 176.600 0.006 0.000 1.049 560 K CA 1.743 58.028 56.287 -0.004 0.000 0.927 560 K CB -0.222 32.283 32.500 0.008 0.000 0.713 560 K HN 0.442 nan 8.250 nan 0.000 0.443 561 N N 0.599 119.307 118.700 0.012 0.000 2.364 561 N HA -0.128 4.627 4.740 0.024 0.000 0.183 561 N C 1.265 176.777 175.510 0.003 0.000 1.022 561 N CA 0.948 54.011 53.050 0.023 0.000 0.883 561 N CB 0.031 38.544 38.487 0.044 0.000 0.965 561 N HN 0.278 nan 8.380 nan 0.000 0.438 562 L N -0.976 120.237 121.223 -0.017 0.000 2.640 562 L HA 0.264 4.618 4.340 0.024 0.000 0.230 562 L C 0.895 177.750 176.870 -0.024 0.000 1.123 562 L CA -0.088 54.733 54.840 -0.033 0.000 0.900 562 L CB -0.041 41.983 42.059 -0.059 0.000 1.146 562 L HN 0.081 nan 8.230 nan 0.000 0.484 563 G N 1.593 110.385 108.800 -0.014 0.000 2.221 563 G HA2 -0.281 3.694 3.960 0.024 0.000 0.265 563 G HA3 -0.281 3.694 3.960 0.024 0.000 0.265 563 G C -0.028 174.863 174.900 -0.014 0.000 1.041 563 G CA 0.132 45.226 45.100 -0.010 0.000 0.807 563 G HN 0.324 nan 8.290 nan 0.000 0.502 564 I N -0.404 120.153 120.570 -0.022 0.000 2.530 564 I HA 0.440 4.624 4.170 0.024 0.000 0.297 564 I C 0.140 176.241 176.117 -0.026 0.000 1.011 564 I CA -0.772 60.513 61.300 -0.025 0.000 1.107 564 I CB 2.062 40.040 38.000 -0.036 0.000 1.285 564 I HN 0.115 nan 8.210 nan 0.000 0.436 565 E N 6.283 126.469 120.200 -0.023 0.000 2.129 565 E HA 0.408 4.772 4.350 0.024 0.000 0.268 565 E C -1.001 175.581 176.600 -0.030 0.000 0.900 565 E CA -0.719 55.666 56.400 -0.024 0.000 0.755 565 E CB 1.302 30.993 29.700 -0.016 0.000 1.117 565 E HN 0.462 nan 8.360 nan 0.000 0.410 566 L N 3.418 124.617 121.223 -0.040 0.000 2.485 566 L HA 0.061 4.416 4.340 0.024 0.000 0.275 566 L C 1.169 178.015 176.870 -0.040 0.000 1.207 566 L CA 0.074 54.885 54.840 -0.048 0.000 0.855 566 L CB 0.131 42.151 42.059 -0.064 0.000 1.114 566 L HN 0.631 nan 8.230 nan 0.000 0.485 567 T N -2.318 112.212 114.554 -0.040 0.000 2.788 567 T HA 0.081 4.445 4.350 0.024 0.000 0.287 567 T C 0.803 175.479 174.700 -0.040 0.000 1.007 567 T CA -0.790 61.290 62.100 -0.033 0.000 1.005 567 T CB 1.124 69.975 68.868 -0.028 0.000 1.012 567 T HN 0.556 nan 8.240 nan 0.000 0.530 568 D N 0.497 120.877 120.400 -0.033 0.000 2.144 568 D HA -0.104 4.551 4.640 0.024 0.000 0.200 568 D C 1.422 177.696 176.300 -0.043 0.000 0.978 568 D CA 1.111 55.090 54.000 -0.035 0.000 0.833 568 D CB -0.119 40.666 40.800 -0.025 0.000 0.961 568 D HN 0.576 nan 8.370 nan 0.000 0.470 569 D N 1.256 121.631 120.400 -0.041 0.000 2.106 569 D HA -0.163 4.491 4.640 0.024 0.000 0.191 569 D C 2.201 178.453 176.300 -0.081 0.000 0.997 569 D CA 1.033 55.004 54.000 -0.049 0.000 0.834 569 D CB -0.315 40.464 40.800 -0.035 0.000 0.956 569 D HN 0.310 nan 8.370 nan 0.000 0.448 570 Q N -0.191 119.556 119.800 -0.088 0.000 2.084 570 Q HA -0.067 4.287 4.340 0.024 0.000 0.202 570 Q C 2.452 178.371 176.000 -0.136 0.000 0.978 570 Q CA 0.710 56.433 55.803 -0.133 0.000 0.844 570 Q CB -0.175 28.495 28.738 -0.114 0.000 0.898 570 Q HN 0.317 nan 8.270 nan 0.000 0.426 571 L N 0.866 122.031 121.223 -0.096 0.000 2.353 571 L HA -0.167 4.187 4.340 0.024 0.000 0.220 571 L C 1.327 178.147 176.870 -0.084 0.000 1.133 571 L CA 0.463 55.252 54.840 -0.085 0.000 0.798 571 L CB -0.263 41.761 42.059 -0.059 0.000 0.922 571 L HN 0.242 nan 8.230 nan 0.000 0.445 572 N N -0.343 118.305 118.700 -0.087 0.000 2.280 572 N HA 0.198 4.953 4.740 0.024 0.000 0.192 572 N C 0.512 175.966 175.510 -0.094 0.000 1.109 572 N CA 0.088 53.093 53.050 -0.074 0.000 0.855 572 N CB 0.343 38.797 38.487 -0.055 0.000 0.974 572 N HN 0.205 nan 8.380 nan 0.000 0.482 573 I N 1.573 122.054 120.570 -0.149 0.000 2.752 573 I HA -0.102 4.082 4.170 0.024 0.000 0.289 573 I C 1.138 177.175 176.117 -0.134 0.000 1.197 573 I CA 0.325 61.510 61.300 -0.192 0.000 1.432 573 I CB 0.428 38.184 38.000 -0.406 0.000 1.359 573 I HN 0.003 nan 8.210 nan 0.000 0.571 574 T N 6.980 121.486 114.554 -0.081 0.000 2.869 574 T HA 0.358 4.723 4.350 0.024 0.000 0.295 574 T C -2.047 172.630 174.700 -0.037 0.000 0.987 574 T CA -1.520 60.554 62.100 -0.043 0.000 1.109 574 T CB 0.951 69.812 68.868 -0.012 0.000 0.932 574 T HN 0.324 nan 8.240 nan 0.000 0.518 575 P HA 0.282 nan 4.420 nan 0.000 0.270 575 P C -2.414 174.910 177.300 0.041 0.000 1.223 575 P CA -1.309 61.787 63.100 -0.006 0.000 0.785 575 P CB -0.537 31.166 31.700 0.005 0.000 0.923 576 P HA 0.281 nan 4.420 nan 0.000 0.274 576 P C -2.522 174.839 177.300 0.101 0.000 1.246 576 P CA -1.382 61.795 63.100 0.127 0.000 0.795 576 P CB -0.975 30.852 31.700 0.211 0.000 1.006 577 P HA 0.135 nan 4.420 nan 0.000 0.272 577 P C -0.315 177.035 177.300 0.084 0.000 1.240 577 P CA 0.032 63.181 63.100 0.082 0.000 0.791 577 P CB 0.096 31.846 31.700 0.082 0.000 0.978 578 D N -0.321 120.121 120.400 0.069 0.000 2.390 578 D HA 0.016 4.670 4.640 0.024 0.000 0.236 578 D C -0.147 176.201 176.300 0.079 0.000 1.189 578 D CA 0.262 54.299 54.000 0.062 0.000 0.887 578 D CB 0.194 41.025 40.800 0.052 0.000 1.198 578 D HN -0.056 nan 8.370 nan 0.000 0.444 579 V N 2.713 122.665 119.914 0.063 0.000 2.353 579 V HA 0.057 4.192 4.120 0.024 0.000 0.264 579 V C 0.279 176.459 176.094 0.143 0.000 1.049 579 V CA -0.472 61.892 62.300 0.106 0.000 0.896 579 V CB -0.301 31.508 31.823 -0.023 0.000 1.025 579 V HN 0.604 nan 8.190 nan 0.000 0.475 580 N N 4.551 123.350 118.700 0.165 0.000 2.705 580 N HA -0.223 4.532 4.740 0.024 0.000 0.255 580 N C 1.189 176.751 175.510 0.088 0.000 1.008 580 N CA 0.969 54.096 53.050 0.128 0.000 0.742 580 N CB -0.841 37.758 38.487 0.187 0.000 0.906 580 N HN 1.286 nan 8.380 nan 0.000 0.541 581 G N -2.254 106.587 108.800 0.068 0.000 2.189 581 G HA2 -0.328 3.647 3.960 0.024 0.000 0.267 581 G HA3 -0.328 3.647 3.960 0.024 0.000 0.267 581 G C -0.026 174.901 174.900 0.045 0.000 0.975 581 G CA 0.303 45.432 45.100 0.049 0.000 0.644 581 G HN 0.356 nan 8.290 nan 0.000 0.537 582 L N 0.115 121.369 121.223 0.052 0.000 2.290 582 L HA 0.499 4.854 4.340 0.024 0.000 0.284 582 L C 1.320 178.205 176.870 0.024 0.000 1.078 582 L CA 0.315 55.177 54.840 0.037 0.000 0.815 582 L CB 1.426 43.508 42.059 0.038 0.000 1.162 582 L HN 0.165 nan 8.230 nan 0.000 0.435 583 K N 2.838 123.247 120.400 0.015 0.000 2.374 583 K HA 0.138 4.472 4.320 0.024 0.000 0.196 583 K C -0.353 176.242 176.600 -0.009 0.000 1.023 583 K CA 0.150 56.443 56.287 0.010 0.000 1.103 583 K CB 0.349 32.855 32.500 0.010 0.000 0.848 583 K HN 0.662 nan 8.250 nan 0.000 0.528 584 K N -0.993 119.397 120.400 -0.016 0.000 2.870 584 K HA 0.178 4.512 4.320 0.024 0.000 0.290 584 K C -2.209 174.375 176.600 -0.026 0.000 1.070 584 K CA -1.005 55.257 56.287 -0.042 0.000 0.843 584 K CB 0.991 33.445 32.500 -0.076 0.000 1.475 584 K HN -0.232 nan 8.250 nan 0.000 0.359 585 D N 1.392 121.770 120.400 -0.036 0.000 2.616 585 D HA 0.328 4.982 4.640 0.024 0.000 0.238 585 D C -2.232 174.051 176.300 -0.027 0.000 1.354 585 D CA -1.985 52.011 54.000 -0.006 0.000 0.970 585 D CB 2.261 43.081 40.800 0.033 0.000 1.369 585 D HN 0.274 nan 8.370 nan 0.000 0.585 586 P HA -0.071 nan 4.420 nan 0.000 0.230 586 P C 1.261 178.553 177.300 -0.014 0.000 1.158 586 P CA 0.694 63.764 63.100 -0.050 0.000 0.769 586 P CB 0.222 31.903 31.700 -0.031 0.000 0.807 587 S N -0.959 114.768 115.700 0.044 0.000 2.507 587 S HA -0.066 4.419 4.470 0.024 0.000 0.235 587 S C 1.634 176.322 174.600 0.147 0.000 0.988 587 S CA 0.801 59.065 58.200 0.106 0.000 0.944 587 S CB -1.359 61.930 63.200 0.149 0.000 0.762 587 S HN 0.158 nan 8.310 nan 0.000 0.526 588 L N 1.149 122.419 121.223 0.078 0.000 2.492 588 L HA 0.217 4.571 4.340 0.024 0.000 0.223 588 L C 1.405 178.165 176.870 -0.184 0.000 1.132 588 L CA 0.102 54.984 54.840 0.071 0.000 0.850 588 L CB -0.273 41.826 42.059 0.066 0.000 0.966 588 L HN 0.311 nan 8.230 nan 0.000 0.454 589 S N -0.286 115.288 115.700 -0.209 0.000 2.554 589 S HA 0.305 4.789 4.470 0.024 0.000 0.278 589 S C 1.089 175.552 174.600 -0.228 0.000 1.242 589 S CA -0.637 57.379 58.200 -0.306 0.000 1.051 589 S CB 1.321 64.347 63.200 -0.289 0.000 0.986 589 S HN 0.171 nan 8.310 nan 0.000 0.502 590 L N 3.448 124.440 121.223 -0.384 0.000 2.141 590 L HA -0.012 4.342 4.340 0.024 0.000 0.209 590 L C 0.783 177.340 176.870 -0.521 0.000 1.094 590 L CA 1.186 55.682 54.840 -0.575 0.000 0.763 590 L CB -0.274 41.100 42.059 -1.141 0.000 0.908 590 L HN 0.770 nan 8.230 nan 0.000 0.437 591 Y N -2.556 117.737 120.300 -0.013 0.000 2.448 591 Y HA 0.332 4.896 4.550 0.024 0.000 0.257 591 Y C 2.127 178.047 175.900 0.034 0.000 1.089 591 Y CA -0.207 57.938 58.100 0.074 0.000 1.245 591 Y CB -0.471 38.070 38.460 0.135 0.000 1.282 591 Y HN -0.065 nan 8.280 nan 0.000 0.529 592 A N 0.692 123.540 122.820 0.047 0.000 1.948 592 A HA -0.086 4.248 4.320 0.024 0.000 0.220 592 A C 0.937 178.556 177.584 0.059 0.000 1.177 592 A CA 1.224 53.264 52.037 0.005 0.000 0.636 592 A CB -0.563 18.382 19.000 -0.092 0.000 0.815 592 A HN 0.202 nan 8.150 nan 0.000 0.449 593 I N 1.391 122.003 120.570 0.070 0.000 2.359 593 I HA 0.233 4.417 4.170 0.024 0.000 0.284 593 I C -2.475 173.711 176.117 0.115 0.000 1.018 593 I CA -2.224 59.123 61.300 0.078 0.000 1.173 593 I CB 0.953 38.989 38.000 0.059 0.000 1.326 593 I HN 0.070 nan 8.210 nan 0.000 0.462 594 P HA -0.020 nan 4.420 nan 0.000 0.259 594 P C -0.318 177.055 177.300 0.123 0.000 1.163 594 P CA 0.407 63.595 63.100 0.148 0.000 0.760 594 P CB 0.500 32.269 31.700 0.115 0.000 0.762 595 D N 1.466 121.949 120.400 0.138 0.000 2.865 595 D HA 0.142 4.796 4.640 0.024 0.000 0.347 595 D C 0.578 176.938 176.300 0.100 0.000 1.498 595 D CA -0.563 53.500 54.000 0.105 0.000 0.787 595 D CB -0.430 40.428 40.800 0.097 0.000 1.190 595 D HN 0.297 nan 8.370 nan 0.000 0.445 596 G N 0.221 109.086 108.800 0.108 0.000 2.414 596 G HA2 0.321 4.296 3.960 0.024 0.000 0.236 596 G HA3 0.321 4.296 3.960 0.024 0.000 0.236 596 G C -0.547 174.388 174.900 0.058 0.000 1.293 596 G CA 0.064 45.221 45.100 0.094 0.000 0.869 596 G HN 0.239 nan 8.290 nan 0.000 0.556 597 D N 0.743 121.170 120.400 0.044 0.000 2.616 597 D HA 0.152 4.806 4.640 0.024 0.000 0.238 597 D C 0.937 177.244 176.300 0.012 0.000 1.354 597 D CA -0.492 53.520 54.000 0.021 0.000 0.970 597 D CB 1.587 42.394 40.800 0.011 0.000 1.369 597 D HN 0.317 nan 8.370 nan 0.000 0.585 598 V N 1.869 121.784 119.914 0.001 0.000 3.306 598 V HA 0.208 4.342 4.120 0.024 0.000 0.264 598 V C 1.053 177.124 176.094 -0.039 0.000 1.149 598 V CA 0.281 62.576 62.300 -0.008 0.000 1.143 598 V CB -0.668 31.146 31.823 -0.015 0.000 0.767 598 V HN 0.393 nan 8.190 nan 0.000 0.476 599 K N 1.264 121.634 120.400 -0.050 0.000 2.447 599 K HA 0.386 4.720 4.320 0.024 0.000 0.281 599 K C 1.248 177.796 176.600 -0.087 0.000 1.031 599 K CA 0.980 57.214 56.287 -0.089 0.000 1.019 599 K CB 0.150 32.606 32.500 -0.074 0.000 0.918 599 K HN 0.692 nan 8.250 nan 0.000 0.476 600 G N 3.172 111.879 108.800 -0.155 0.000 2.195 600 G HA2 -0.217 3.757 3.960 0.024 0.000 0.246 600 G HA3 -0.217 3.757 3.960 0.024 0.000 0.246 600 G C 0.157 175.077 174.900 0.033 0.000 0.984 600 G CA -0.188 44.888 45.100 -0.040 0.000 0.633 600 G HN 0.560 nan 8.290 nan 0.000 0.525 601 R N -0.302 120.192 120.500 -0.010 0.000 2.652 601 R HA 0.736 5.091 4.340 0.024 0.000 0.272 601 R C 0.110 176.456 176.300 0.077 0.000 1.162 601 R CA -0.064 56.069 56.100 0.054 0.000 1.199 601 R CB 0.805 31.132 30.300 0.045 0.000 1.166 601 R HN 0.679 nan 8.270 nan 0.000 0.597 602 V N -0.022 119.960 119.914 0.113 0.000 2.971 602 V HA 0.478 4.612 4.120 0.024 0.000 0.309 602 V C -1.244 174.914 176.094 0.107 0.000 1.130 602 V CA -0.729 61.653 62.300 0.137 0.000 0.964 602 V CB 2.578 34.513 31.823 0.187 0.000 1.029 602 V HN 0.340 nan 8.190 nan 0.000 0.427 603 V N 5.131 125.103 119.914 0.098 0.000 2.540 603 V HA 0.796 4.930 4.120 0.024 0.000 0.302 603 V C 0.434 176.586 176.094 0.095 0.000 1.035 603 V CA -0.247 62.102 62.300 0.082 0.000 0.873 603 V CB 1.669 33.525 31.823 0.055 0.000 0.992 603 V HN 1.202 nan 8.190 nan 0.000 0.428 604 A N 5.972 128.857 122.820 0.109 0.000 2.366 604 A HA 0.743 5.077 4.320 0.024 0.000 0.272 604 A C -0.393 177.207 177.584 0.026 0.000 1.135 604 A CA -0.142 51.946 52.037 0.086 0.000 0.804 604 A CB -0.052 19.033 19.000 0.142 0.000 1.064 604 A HN 0.770 nan 8.150 nan 0.000 0.499 605 I N 3.604 124.183 120.570 0.014 0.000 2.355 605 I HA 0.213 4.397 4.170 0.024 0.000 0.288 605 I C -0.608 175.513 176.117 0.007 0.000 0.999 605 I CA -0.195 61.111 61.300 0.011 0.000 1.163 605 I CB 1.356 39.375 38.000 0.032 0.000 1.316 605 I HN 0.487 nan 8.210 nan 0.000 0.454 606 L N 7.313 128.526 121.223 -0.016 0.000 2.268 606 L HA 0.443 4.797 4.340 0.024 0.000 0.289 606 L C -0.015 176.941 176.870 0.143 0.000 1.064 606 L CA -0.367 54.512 54.840 0.065 0.000 0.824 606 L CB 0.243 42.201 42.059 -0.168 0.000 1.202 606 L HN 0.447 nan 8.230 nan 0.000 0.433 607 L N 3.462 124.818 121.223 0.223 0.000 2.468 607 L HA 0.358 4.713 4.340 0.024 0.000 0.254 607 L C 0.111 177.139 176.870 0.263 0.000 1.171 607 L CA -0.425 54.495 54.840 0.134 0.000 0.809 607 L CB 1.046 43.093 42.059 -0.021 0.000 1.155 607 L HN 0.711 nan 8.230 nan 0.000 0.473 608 N N -2.193 116.567 118.700 0.099 0.000 2.629 608 N HA 0.224 4.978 4.740 0.024 0.000 0.279 608 N C -0.375 175.089 175.510 -0.077 0.000 1.344 608 N CA -0.763 52.387 53.050 0.167 0.000 0.789 608 N CB 0.678 39.267 38.487 0.169 0.000 1.508 608 N HN 0.526 nan 8.380 nan 0.000 0.516 609 D N -1.683 118.719 120.400 0.003 0.000 2.363 609 D HA -0.054 4.600 4.640 0.024 0.000 0.226 609 D C -0.446 175.820 176.300 -0.056 0.000 1.020 609 D CA 0.785 54.736 54.000 -0.082 0.000 0.892 609 D CB -0.053 40.773 40.800 0.043 0.000 0.900 609 D HN 0.721 nan 8.370 nan 0.000 0.531 610 E N 0.508 120.691 120.200 -0.030 0.000 3.284 610 E HA 0.199 4.564 4.350 0.024 0.000 0.277 610 E C -1.200 175.387 176.600 -0.022 0.000 1.218 610 E CA -0.339 56.045 56.400 -0.027 0.000 0.925 610 E CB 1.280 30.973 29.700 -0.012 0.000 1.409 610 E HN -0.113 nan 8.360 nan 0.000 0.388 611 V N 2.033 121.925 119.914 -0.036 0.000 2.740 611 V HA 0.110 4.245 4.120 0.024 0.000 0.303 611 V C 0.978 177.055 176.094 -0.027 0.000 1.054 611 V CA 0.053 62.337 62.300 -0.026 0.000 1.106 611 V CB 1.031 32.832 31.823 -0.036 0.000 0.957 611 V HN 0.460 nan 8.190 nan 0.000 0.486 612 R N 2.921 123.405 120.500 -0.026 0.000 2.357 612 R HA 0.038 4.392 4.340 0.024 0.000 0.330 612 R C 1.522 177.800 176.300 -0.037 0.000 1.102 612 R CA 0.493 56.574 56.100 -0.033 0.000 0.974 612 R CB 0.410 30.686 30.300 -0.041 0.000 1.002 612 R HN 1.021 nan 8.270 nan 0.000 0.463 613 S N 3.234 118.914 115.700 -0.033 0.000 2.399 613 S HA -0.202 4.282 4.470 0.024 0.000 0.231 613 S C 2.009 176.590 174.600 -0.032 0.000 1.022 613 S CA 0.908 59.090 58.200 -0.031 0.000 0.983 613 S CB -0.084 63.100 63.200 -0.027 0.000 0.803 613 S HN 0.660 nan 8.310 nan 0.000 0.480 614 A N 2.400 125.198 122.820 -0.036 0.000 1.908 614 A HA -0.150 4.185 4.320 0.024 0.000 0.218 614 A C 1.960 179.511 177.584 -0.053 0.000 1.181 614 A CA 1.804 53.817 52.037 -0.040 0.000 0.627 614 A CB -0.961 18.014 19.000 -0.042 0.000 0.818 614 A HN 0.465 nan 8.150 nan 0.000 0.445 615 D N -0.173 120.185 120.400 -0.071 0.000 2.092 615 D HA -0.137 4.518 4.640 0.024 0.000 0.193 615 D C 1.901 178.166 176.300 -0.059 0.000 0.994 615 D CA 0.913 54.853 54.000 -0.100 0.000 0.828 615 D CB -0.379 40.349 40.800 -0.120 0.000 0.963 615 D HN 0.342 nan 8.370 nan 0.000 0.450 616 L N 0.377 121.578 121.223 -0.037 0.000 2.083 616 L HA -0.131 4.224 4.340 0.024 0.000 0.209 616 L C 2.370 179.235 176.870 -0.008 0.000 1.083 616 L CA 0.749 55.580 54.840 -0.016 0.000 0.752 616 L CB -0.226 41.824 42.059 -0.016 0.000 0.899 616 L HN 0.122 nan 8.230 nan 0.000 0.433 617 L N -0.709 120.505 121.223 -0.015 0.000 2.017 617 L HA -0.206 4.148 4.340 0.024 0.000 0.208 617 L C 2.815 179.684 176.870 -0.001 0.000 1.073 617 L CA 1.277 56.112 54.840 -0.008 0.000 0.745 617 L CB -0.646 41.406 42.059 -0.012 0.000 0.894 617 L HN 0.264 nan 8.230 nan 0.000 0.432 618 A N 0.194 123.010 122.820 -0.008 0.000 1.902 618 A HA -0.177 4.157 4.320 0.024 0.000 0.217 618 A C 2.176 179.778 177.584 0.031 0.000 1.181 618 A CA 1.510 53.550 52.037 0.004 0.000 0.623 618 A CB -0.607 18.384 19.000 -0.016 0.000 0.818 618 A HN 0.339 nan 8.150 nan 0.000 0.443 619 I N -0.287 120.304 120.570 0.035 0.000 2.163 619 I HA -0.241 3.943 4.170 0.024 0.000 0.240 619 I C 2.391 178.539 176.117 0.052 0.000 1.081 619 I CA 1.148 62.491 61.300 0.072 0.000 1.353 619 I CB -0.341 37.705 38.000 0.077 0.000 1.054 619 I HN 0.277 nan 8.210 nan 0.000 0.407 620 L N 0.399 121.642 121.223 0.034 0.000 2.083 620 L HA -0.222 4.132 4.340 0.024 0.000 0.209 620 L C 2.576 179.461 176.870 0.024 0.000 1.083 620 L CA 1.461 56.319 54.840 0.030 0.000 0.752 620 L CB -0.590 41.483 42.059 0.023 0.000 0.899 620 L HN 0.235 nan 8.230 nan 0.000 0.433 621 K N 0.223 120.635 120.400 0.020 0.000 2.155 621 K HA -0.090 4.245 4.320 0.024 0.000 0.203 621 K C 2.166 178.775 176.600 0.016 0.000 1.052 621 K CA 0.995 57.291 56.287 0.016 0.000 0.948 621 K CB 0.011 32.518 32.500 0.012 0.000 0.728 621 K HN 0.244 nan 8.250 nan 0.000 0.448 622 A N 1.059 123.894 122.820 0.025 0.000 1.933 622 A HA -0.109 4.225 4.320 0.024 0.000 0.218 622 A C 2.004 179.595 177.584 0.012 0.000 1.175 622 A CA 1.102 53.154 52.037 0.025 0.000 0.628 622 A CB -0.465 18.562 19.000 0.046 0.000 0.814 622 A HN 0.265 nan 8.150 nan 0.000 0.444 623 L N -0.823 120.408 121.223 0.013 0.000 2.072 623 L HA -0.133 4.221 4.340 0.024 0.000 0.205 623 L C 2.681 179.537 176.870 -0.023 0.000 1.079 623 L CA 1.568 56.406 54.840 -0.004 0.000 0.752 623 L CB -0.470 41.596 42.059 0.012 0.000 0.906 623 L HN 0.394 nan 8.230 nan 0.000 0.436 624 K N 0.810 121.206 120.400 -0.007 0.000 2.057 624 K HA -0.176 4.158 4.320 0.024 0.000 0.207 624 K C 2.015 178.602 176.600 -0.022 0.000 1.049 624 K CA 1.483 57.763 56.287 -0.012 0.000 0.931 624 K CB -0.020 32.485 32.500 0.007 0.000 0.714 624 K HN 0.256 nan 8.250 nan 0.000 0.440 625 A N 1.151 123.963 122.820 -0.013 0.000 2.019 625 A HA -0.101 4.233 4.320 0.024 0.000 0.219 625 A C 1.628 179.198 177.584 -0.023 0.000 1.164 625 A CA 1.329 53.358 52.037 -0.013 0.000 0.644 625 A CB -0.065 18.933 19.000 -0.004 0.000 0.805 625 A HN 0.151 nan 8.150 nan 0.000 0.449 626 K N -1.498 118.882 120.400 -0.033 0.000 2.358 626 K HA 0.232 4.566 4.320 0.024 0.000 0.197 626 K C 0.975 177.529 176.600 -0.077 0.000 1.025 626 K CA 0.577 56.838 56.287 -0.043 0.000 1.104 626 K CB 0.009 32.488 32.500 -0.035 0.000 0.855 626 K HN 0.723 nan 8.250 nan 0.000 0.531 627 G N 1.354 110.093 108.800 -0.102 0.000 2.147 627 G HA2 -0.235 3.739 3.960 0.024 0.000 0.244 627 G HA3 -0.235 3.739 3.960 0.024 0.000 0.244 627 G C 0.064 174.764 174.900 -0.333 0.000 1.005 627 G CA 0.280 45.272 45.100 -0.180 0.000 0.713 627 G HN 0.107 nan 8.290 nan 0.000 0.515 628 V N 0.962 120.728 119.914 -0.247 0.000 2.465 628 V HA 0.488 4.623 4.120 0.024 0.000 0.279 628 V C 0.821 176.765 176.094 -0.250 0.000 1.045 628 V CA -0.766 61.382 62.300 -0.254 0.000 0.938 628 V CB 0.976 32.741 31.823 -0.096 0.000 0.986 628 V HN 0.445 nan 8.190 nan 0.000 0.467 629 H N 1.842 120.923 119.070 0.018 0.000 2.508 629 H HA 0.751 5.321 4.556 0.024 0.000 0.358 629 H C 0.226 175.574 175.328 0.033 0.000 1.212 629 H CA 0.069 56.130 56.048 0.023 0.000 1.356 629 H CB 1.085 30.861 29.762 0.024 0.000 1.525 629 H HN 0.852 nan 8.280 nan 0.000 0.578 630 A N 1.081 124.003 122.820 0.170 0.000 2.414 630 A HA 0.516 4.850 4.320 0.024 0.000 0.306 630 A C -1.067 176.574 177.584 0.094 0.000 1.054 630 A CA -1.039 51.062 52.037 0.106 0.000 0.724 630 A CB 1.089 20.134 19.000 0.076 0.000 1.267 630 A HN 0.790 nan 8.150 nan 0.000 0.418 631 K N 2.509 122.959 120.400 0.084 0.000 2.376 631 K HA 0.686 5.021 4.320 0.024 0.000 0.257 631 K C -1.547 175.082 176.600 0.048 0.000 0.939 631 K CA -0.510 55.817 56.287 0.067 0.000 0.809 631 K CB 1.401 33.950 32.500 0.081 0.000 1.121 631 K HN 0.518 nan 8.250 nan 0.000 0.425 632 L N 4.245 125.486 121.223 0.031 0.000 2.281 632 L HA 0.303 4.657 4.340 0.024 0.000 0.285 632 L C -0.687 176.189 176.870 0.009 0.000 1.074 632 L CA -1.037 53.814 54.840 0.018 0.000 0.817 632 L CB 0.389 42.450 42.059 0.003 0.000 1.168 632 L HN 0.479 nan 8.230 nan 0.000 0.434 633 L N 4.303 125.538 121.223 0.019 0.000 2.333 633 L HA 0.615 4.969 4.340 0.024 0.000 0.269 633 L C -0.470 176.358 176.870 -0.069 0.000 1.010 633 L CA -0.456 54.364 54.840 -0.034 0.000 0.818 633 L CB 1.554 43.619 42.059 0.009 0.000 1.306 633 L HN 0.369 nan 8.230 nan 0.000 0.430 634 Y N -0.768 119.143 120.300 -0.648 0.000 2.900 634 Y HA 0.285 4.849 4.550 0.024 0.000 0.318 634 Y C 0.886 175.977 175.900 -1.347 0.000 1.457 634 Y CA -0.467 57.098 58.100 -0.892 0.000 1.082 634 Y CB 1.266 39.532 38.460 -0.323 0.000 1.419 634 Y HN 0.539 nan 8.280 nan 0.000 0.459 635 S N 0.695 115.480 115.700 -1.526 0.000 2.603 635 S HA 0.247 4.732 4.470 0.024 0.000 0.220 635 S C 0.052 174.363 174.600 -0.481 0.000 0.967 635 S CA 0.473 58.146 58.200 -0.878 0.000 0.920 635 S CB -0.211 62.624 63.200 -0.608 0.000 0.773 635 S HN 0.618 nan 8.310 nan 0.000 0.529 636 R N -1.435 118.858 120.500 -0.344 0.000 2.747 636 R HA 0.600 4.954 4.340 0.024 0.000 0.272 636 R C -0.960 175.329 176.300 -0.019 0.000 1.032 636 R CA -1.065 54.966 56.100 -0.116 0.000 0.896 636 R CB 0.431 30.702 30.300 -0.048 0.000 1.253 636 R HN -0.079 nan 8.270 nan 0.000 0.461 637 M N 0.111 119.705 119.600 -0.011 0.000 2.154 637 M HA 0.536 5.031 4.480 0.024 0.000 0.251 637 M C 1.041 177.354 176.300 0.021 0.000 1.200 637 M CA 0.933 56.234 55.300 0.000 0.000 0.967 637 M CB 0.576 33.170 32.600 -0.010 0.000 1.362 637 M HN 1.050 nan 8.290 nan 0.000 0.522 638 G N 0.834 109.639 108.800 0.008 0.000 2.662 638 G HA2 -0.146 3.829 3.960 0.024 0.000 0.236 638 G HA3 -0.146 3.829 3.960 0.024 0.000 0.236 638 G C -0.734 174.160 174.900 -0.010 0.000 1.212 638 G CA -0.351 44.751 45.100 0.003 0.000 0.968 638 G HN 0.615 nan 8.290 nan 0.000 0.576 639 E N -0.997 119.191 120.200 -0.020 0.000 2.408 639 E HA 0.605 4.970 4.350 0.024 0.000 0.275 639 E C -0.413 176.125 176.600 -0.103 0.000 0.935 639 E CA -0.432 55.935 56.400 -0.055 0.000 0.775 639 E CB 3.017 32.692 29.700 -0.041 0.000 1.277 639 E HN 1.192 nan 8.360 nan 0.000 0.455 640 V N -1.693 118.124 119.914 -0.162 0.000 3.074 640 V HA 0.745 4.880 4.120 0.024 0.000 0.314 640 V C -0.459 175.556 176.094 -0.132 0.000 1.117 640 V CA -0.691 61.484 62.300 -0.207 0.000 1.014 640 V CB 1.993 33.564 31.823 -0.420 0.000 1.057 640 V HN 0.614 nan 8.190 nan 0.000 0.438 641 T N 2.042 116.531 114.554 -0.108 0.000 2.807 641 T HA 0.785 5.150 4.350 0.024 0.000 0.279 641 T C 0.187 174.848 174.700 -0.066 0.000 0.993 641 T CA 0.217 62.274 62.100 -0.071 0.000 0.970 641 T CB 1.401 70.241 68.868 -0.048 0.000 0.950 641 T HN 1.326 nan 8.240 nan 0.000 0.441 642 A N 2.264 125.051 122.820 -0.054 0.000 2.296 642 A HA 0.424 4.758 4.320 0.024 0.000 0.264 642 A C 1.555 179.118 177.584 -0.034 0.000 1.097 642 A CA -0.401 51.608 52.037 -0.045 0.000 0.811 642 A CB 0.095 19.071 19.000 -0.040 0.000 1.072 642 A HN 0.922 nan 8.150 nan 0.000 0.495 643 D N 0.480 120.863 120.400 -0.029 0.000 2.170 643 D HA -0.259 4.395 4.640 0.024 0.000 0.193 643 D C 0.791 177.078 176.300 -0.021 0.000 1.004 643 D CA 1.942 55.928 54.000 -0.023 0.000 0.860 643 D CB -0.423 40.364 40.800 -0.022 0.000 0.931 643 D HN 0.640 nan 8.370 nan 0.000 0.448 644 D N -1.153 119.234 120.400 -0.022 0.000 2.328 644 D HA 0.146 4.801 4.640 0.024 0.000 0.226 644 D C 1.617 177.905 176.300 -0.019 0.000 1.066 644 D CA 0.662 54.651 54.000 -0.019 0.000 0.861 644 D CB -0.204 40.585 40.800 -0.019 0.000 0.912 644 D HN 0.473 nan 8.370 nan 0.000 0.521 645 G N 0.046 108.834 108.800 -0.021 0.000 2.159 645 G HA2 -0.266 3.709 3.960 0.024 0.000 0.256 645 G HA3 -0.266 3.709 3.960 0.024 0.000 0.256 645 G C 0.376 175.263 174.900 -0.023 0.000 0.977 645 G CA 0.359 45.446 45.100 -0.021 0.000 0.652 645 G HN 0.452 nan 8.290 nan 0.000 0.531 646 T N 0.922 115.462 114.554 -0.025 0.000 2.916 646 T HA 0.430 4.794 4.350 0.024 0.000 0.303 646 T C 0.644 175.324 174.700 -0.033 0.000 1.025 646 T CA -0.003 62.082 62.100 -0.025 0.000 1.142 646 T CB 2.251 71.105 68.868 -0.024 0.000 0.947 646 T HN 0.449 nan 8.240 nan 0.000 0.544 647 V N 5.092 124.988 119.914 -0.030 0.000 2.406 647 V HA 0.218 4.352 4.120 0.024 0.000 0.272 647 V C -0.240 175.831 176.094 -0.039 0.000 1.043 647 V CA -0.783 61.495 62.300 -0.036 0.000 0.915 647 V CB 0.809 32.616 31.823 -0.028 0.000 0.988 647 V HN 0.561 nan 8.190 nan 0.000 0.466 648 L N 8.810 129.999 121.223 -0.056 0.000 2.262 648 L HA 0.505 4.859 4.340 0.024 0.000 0.288 648 L C -2.328 174.507 176.870 -0.059 0.000 1.035 648 L CA -2.509 52.297 54.840 -0.058 0.000 0.820 648 L CB 1.042 43.053 42.059 -0.081 0.000 1.204 648 L HN 0.414 nan 8.230 nan 0.000 0.424 649 P HA 0.267 nan 4.420 nan 0.000 0.276 649 P C -0.264 177.018 177.300 -0.030 0.000 1.235 649 P CA -0.124 62.959 63.100 -0.029 0.000 0.772 649 P CB 0.652 32.343 31.700 -0.015 0.000 0.871 650 I N 2.307 122.860 120.570 -0.029 0.000 2.352 650 I HA 0.198 4.382 4.170 0.024 0.000 0.290 650 I C 1.440 177.550 176.117 -0.011 0.000 1.036 650 I CA -0.218 61.069 61.300 -0.022 0.000 1.336 650 I CB 1.341 39.335 38.000 -0.010 0.000 1.407 650 I HN 0.387 nan 8.210 nan 0.000 0.497 651 A N 5.418 128.234 122.820 -0.006 0.000 1.930 651 A HA 0.515 4.850 4.320 0.024 0.000 0.215 651 A C 1.001 178.586 177.584 0.002 0.000 1.176 651 A CA 1.268 53.307 52.037 0.004 0.000 0.632 651 A CB 0.024 19.035 19.000 0.018 0.000 0.819 651 A HN 0.832 nan 8.150 nan 0.000 0.445 652 A N -2.146 120.667 122.820 -0.012 0.000 2.566 652 A HA 0.556 4.890 4.320 0.024 0.000 0.290 652 A C -0.069 177.468 177.584 -0.079 0.000 1.071 652 A CA 0.067 52.093 52.037 -0.018 0.000 0.658 652 A CB -0.310 18.705 19.000 0.024 0.000 1.285 652 A HN 0.814 nan 8.150 nan 0.000 0.427 653 T N -1.369 113.128 114.554 -0.094 0.000 2.849 653 T HA 0.545 4.909 4.350 0.024 0.000 0.284 653 T C 1.010 175.656 174.700 -0.089 0.000 1.004 653 T CA 0.127 62.099 62.100 -0.213 0.000 1.021 653 T CB 0.024 68.804 68.868 -0.147 0.000 1.013 653 T HN 0.518 nan 8.240 nan 0.000 0.527 654 F N 0.752 120.719 119.950 0.029 0.000 2.120 654 F HA -0.080 4.461 4.527 0.024 0.000 0.300 654 F C 2.927 178.860 175.800 0.221 0.000 1.095 654 F CA 1.170 59.238 58.000 0.114 0.000 1.249 654 F CB -0.704 38.343 39.000 0.079 0.000 0.995 654 F HN 0.710 nan 8.300 nan 0.000 0.480 655 A N 0.219 123.207 122.820 0.281 0.000 1.970 655 A HA 0.095 4.430 4.320 0.024 0.000 0.216 655 A C 2.418 180.074 177.584 0.120 0.000 1.170 655 A CA 1.239 53.383 52.037 0.179 0.000 0.645 655 A CB -1.366 17.697 19.000 0.105 0.000 0.816 655 A HN 0.384 nan 8.150 nan 0.000 0.447 656 G N -0.772 108.084 108.800 0.092 0.000 2.443 656 G HA2 0.254 4.228 3.960 0.024 0.000 0.219 656 G HA3 0.254 4.228 3.960 0.024 0.000 0.219 656 G C 0.682 175.635 174.900 0.088 0.000 1.131 656 G CA 1.012 46.150 45.100 0.063 0.000 0.775 656 G HN 1.084 nan 8.290 nan 0.000 0.547 657 A N 0.617 123.526 122.820 0.148 0.000 3.159 657 A HA 0.694 5.028 4.320 0.024 0.000 0.330 657 A C -2.673 175.074 177.584 0.272 0.000 1.032 657 A CA -1.090 51.051 52.037 0.173 0.000 0.841 657 A CB 1.175 20.273 19.000 0.164 0.000 1.093 657 A HN 0.101 nan 8.150 nan 0.000 0.478 658 P HA 0.049 nan 4.420 nan 0.000 0.271 658 P C 1.361 178.518 177.300 -0.238 0.000 1.233 658 P CA 0.333 63.410 63.100 -0.038 0.000 0.789 658 P CB 0.746 32.397 31.700 -0.081 0.000 0.951 659 S N 0.568 115.779 115.700 -0.815 0.000 2.442 659 S HA -0.131 4.354 4.470 0.024 0.000 0.236 659 S C 1.743 176.194 174.600 -0.249 0.000 1.007 659 S CA 0.935 58.758 58.200 -0.629 0.000 0.965 659 S CB -1.366 61.345 63.200 -0.814 0.000 0.773 659 S HN 0.336 nan 8.310 nan 0.000 0.504 660 L N 1.901 122.985 121.223 -0.231 0.000 2.189 660 L HA -0.109 4.245 4.340 0.024 0.000 0.214 660 L C 2.900 179.578 176.870 -0.320 0.000 1.097 660 L CA 1.649 56.340 54.840 -0.248 0.000 0.764 660 L CB -1.540 40.348 42.059 -0.286 0.000 0.900 660 L HN 0.632 nan 8.230 nan 0.000 0.436 661 T N -3.291 111.147 114.554 -0.193 0.000 3.107 661 T HA 0.240 4.604 4.350 0.024 0.000 0.249 661 T C 0.405 175.193 174.700 0.145 0.000 1.096 661 T CA 0.179 62.240 62.100 -0.065 0.000 1.012 661 T CB -0.300 68.633 68.868 0.110 0.000 0.977 661 T HN 0.174 nan 8.240 nan 0.000 0.527 662 V N -2.558 117.405 119.914 0.082 0.000 3.158 662 V HA 0.589 4.723 4.120 0.024 0.000 0.315 662 V C -0.225 175.915 176.094 0.076 0.000 1.148 662 V CA -0.945 61.431 62.300 0.127 0.000 1.042 662 V CB 2.117 34.031 31.823 0.152 0.000 1.101 662 V HN 0.001 nan 8.190 nan 0.000 0.448 663 D N 0.782 121.228 120.400 0.078 0.000 2.389 663 D HA 0.535 5.189 4.640 0.024 0.000 0.206 663 D C 0.504 176.789 176.300 -0.024 0.000 1.055 663 D CA 1.371 55.392 54.000 0.034 0.000 0.856 663 D CB 1.559 42.402 40.800 0.072 0.000 0.957 663 D HN 1.011 nan 8.370 nan 0.000 0.509 664 A N 0.086 122.908 122.820 0.003 0.000 2.586 664 A HA 0.524 4.858 4.320 0.024 0.000 0.291 664 A C -1.668 175.934 177.584 0.030 0.000 1.062 664 A CA -0.553 51.473 52.037 -0.018 0.000 0.666 664 A CB 1.344 20.319 19.000 -0.041 0.000 1.281 664 A HN -0.107 nan 8.150 nan 0.000 0.421 665 V N 1.002 120.926 119.914 0.017 0.000 2.638 665 V HA 0.598 4.732 4.120 0.024 0.000 0.306 665 V C -0.755 175.343 176.094 0.008 0.000 1.052 665 V CA -0.232 62.092 62.300 0.040 0.000 0.885 665 V CB 1.664 33.528 31.823 0.068 0.000 0.999 665 V HN 0.706 nan 8.190 nan 0.000 0.424 666 I N 4.093 124.675 120.570 0.019 0.000 2.436 666 I HA 0.509 4.693 4.170 0.024 0.000 0.289 666 I C -0.808 175.331 176.117 0.035 0.000 1.010 666 I CA -0.920 60.417 61.300 0.061 0.000 1.098 666 I CB 2.265 40.334 38.000 0.115 0.000 1.266 666 I HN 0.288 nan 8.210 nan 0.000 0.434 667 V N 7.947 127.892 119.914 0.052 0.000 2.313 667 V HA 0.331 4.465 4.120 0.024 0.000 0.278 667 V C -1.934 174.207 176.094 0.078 0.000 1.017 667 V CA -1.475 60.840 62.300 0.026 0.000 0.823 667 V CB 0.892 32.694 31.823 -0.036 0.000 1.010 667 V HN 0.570 nan 8.190 nan 0.000 0.443 671 N N 1.517 120.232 118.700 0.026 0.000 2.971 671 N HA 0.064 4.818 4.740 0.024 0.000 0.294 671 N C 1.319 176.863 175.510 0.057 0.000 1.210 671 N CA -0.581 52.488 53.050 0.032 0.000 1.157 671 N CB -0.094 38.413 38.487 0.033 0.000 1.450 671 N HN 0.303 nan 8.380 nan 0.000 0.527 672 I N 1.634 122.229 120.570 0.042 0.000 2.423 672 I HA -0.260 3.925 4.170 0.024 0.000 0.254 672 I C 2.457 178.576 176.117 0.003 0.000 1.151 672 I CA 0.756 62.082 61.300 0.044 0.000 1.421 672 I CB -1.652 36.335 38.000 -0.022 0.000 1.079 672 I HN 0.453 nan 8.210 nan 0.000 0.431 673 A N 0.775 123.588 122.820 -0.011 0.000 1.948 673 A HA -0.297 4.037 4.320 0.024 0.000 0.220 673 A C 2.110 179.712 177.584 0.031 0.000 1.177 673 A CA 2.146 54.174 52.037 -0.014 0.000 0.636 673 A CB -0.798 18.194 19.000 -0.013 0.000 0.815 673 A HN 0.413 nan 8.150 nan 0.000 0.449 674 D N 0.206 120.651 120.400 0.075 0.000 2.149 674 D HA -0.193 4.461 4.640 0.024 0.000 0.194 674 D C 1.511 177.896 176.300 0.141 0.000 1.001 674 D CA 2.000 56.074 54.000 0.124 0.000 0.849 674 D CB -0.201 40.713 40.800 0.190 0.000 0.939 674 D HN 0.688 nan 8.370 nan 0.000 0.449 675 I N -4.400 116.268 120.570 0.164 0.000 4.327 675 I HA 0.480 4.665 4.170 0.024 0.000 0.331 675 I C 1.786 178.014 176.117 0.186 0.000 1.348 675 I CA -0.063 61.358 61.300 0.202 0.000 1.152 675 I CB 0.218 38.391 38.000 0.289 0.000 1.151 675 I HN -0.094 nan 8.210 nan 0.000 0.410 676 A N 1.251 124.101 122.820 0.051 0.000 2.019 676 A HA -0.114 4.220 4.320 0.024 0.000 0.219 676 A C 1.653 179.214 177.584 -0.038 0.000 1.164 676 A CA 1.813 53.765 52.037 -0.142 0.000 0.644 676 A CB -0.422 18.407 19.000 -0.284 0.000 0.805 676 A HN 0.486 nan 8.150 nan 0.000 0.449 677 D N -0.738 119.667 120.400 0.009 0.000 2.398 677 D HA 0.012 4.667 4.640 0.024 0.000 0.210 677 D C 0.026 176.350 176.300 0.040 0.000 1.094 677 D CA -0.128 53.881 54.000 0.016 0.000 0.839 677 D CB -0.127 40.675 40.800 0.003 0.000 0.963 677 D HN 0.302 nan 8.370 nan 0.000 0.506 678 N N 1.242 119.981 118.700 0.065 0.000 2.416 678 N HA 0.009 4.763 4.740 0.024 0.000 0.265 678 N C 1.355 176.901 175.510 0.059 0.000 1.195 678 N CA 0.073 53.163 53.050 0.068 0.000 0.943 678 N CB 1.385 39.928 38.487 0.094 0.000 1.115 678 N HN -0.006 nan 8.380 nan 0.000 0.481 679 G N 3.581 112.416 108.800 0.058 0.000 2.446 679 G HA2 -0.284 3.690 3.960 0.024 0.000 0.217 679 G HA3 -0.284 3.690 3.960 0.024 0.000 0.217 679 G C 1.010 175.962 174.900 0.087 0.000 1.168 679 G CA 0.634 45.771 45.100 0.062 0.000 0.771 679 G HN 0.583 nan 8.290 nan 0.000 0.551 680 D N 1.002 121.460 120.400 0.096 0.000 2.104 680 D HA -0.071 4.583 4.640 0.024 0.000 0.194 680 D C 2.840 179.134 176.300 -0.010 0.000 0.994 680 D CA 1.387 55.473 54.000 0.144 0.000 0.830 680 D CB -0.632 40.322 40.800 0.257 0.000 0.959 680 D HN 0.306 nan 8.370 nan 0.000 0.452 681 A N 1.296 123.931 122.820 -0.308 0.000 1.865 681 A HA -0.245 4.089 4.320 0.024 0.000 0.217 681 A C 2.023 179.425 177.584 -0.303 0.000 1.191 681 A CA 1.697 53.327 52.037 -0.677 0.000 0.623 681 A CB -0.667 17.943 19.000 -0.651 0.000 0.826 681 A HN 0.182 nan 8.150 nan 0.000 0.444 682 N N -1.523 117.146 118.700 -0.052 0.000 2.069 682 N HA -0.214 4.540 4.740 0.024 0.000 0.191 682 N C 1.722 177.231 175.510 -0.002 0.000 1.031 682 N CA 1.951 55.020 53.050 0.033 0.000 0.852 682 N CB -0.563 37.997 38.487 0.120 0.000 1.018 682 N HN 0.690 nan 8.380 nan 0.000 0.423 683 Y N 0.536 120.809 120.300 -0.044 0.000 2.274 683 Y HA -0.266 4.298 4.550 0.024 0.000 0.290 683 Y C 2.398 178.255 175.900 -0.071 0.000 1.145 683 Y CA 1.193 59.262 58.100 -0.051 0.000 1.203 683 Y CB -0.327 38.110 38.460 -0.038 0.000 0.984 683 Y HN 0.045 nan 8.280 nan 0.000 0.533 684 Y N 0.293 120.473 120.300 -0.201 0.000 2.128 684 Y HA -0.325 4.239 4.550 0.024 0.000 0.284 684 Y C 2.105 177.817 175.900 -0.314 0.000 1.154 684 Y CA 2.158 60.114 58.100 -0.240 0.000 1.149 684 Y CB -0.505 37.810 38.460 -0.241 0.000 0.976 684 Y HN 0.103 nan 8.280 nan 0.000 0.505 685 L N -1.095 120.057 121.223 -0.118 0.000 2.093 685 L HA -0.245 4.110 4.340 0.024 0.000 0.208 685 L C 2.396 179.145 176.870 -0.201 0.000 1.085 685 L CA 1.311 56.060 54.840 -0.150 0.000 0.755 685 L CB -0.498 41.432 42.059 -0.215 0.000 0.904 685 L HN 0.309 nan 8.230 nan 0.000 0.435 686 M N -0.661 118.756 119.600 -0.306 0.000 2.175 686 M HA -0.206 4.288 4.480 0.024 0.000 0.264 686 M C 2.220 178.246 176.300 -0.457 0.000 1.063 686 M CA 1.608 56.710 55.300 -0.330 0.000 1.119 686 M CB -0.282 32.115 32.600 -0.337 0.000 1.377 686 M HN 0.213 nan 8.290 nan 0.000 0.415 687 E N 0.565 120.318 120.200 -0.745 0.000 2.047 687 E HA -0.170 4.195 4.350 0.024 0.000 0.191 687 E C 2.028 178.264 176.600 -0.606 0.000 0.987 687 E CA 1.211 57.146 56.400 -0.775 0.000 0.799 687 E CB 0.013 29.249 29.700 -0.774 0.000 0.752 687 E HN 0.450 nan 8.360 nan 0.000 0.449 688 A N 0.493 123.078 122.820 -0.391 0.000 1.917 688 A HA -0.242 4.092 4.320 0.024 0.000 0.219 688 A C 2.075 179.551 177.584 -0.179 0.000 1.182 688 A CA 1.736 53.641 52.037 -0.220 0.000 0.633 688 A CB -1.037 17.889 19.000 -0.124 0.000 0.819 688 A HN 0.569 nan 8.150 nan 0.000 0.448 689 Y N 0.432 120.568 120.300 -0.272 0.000 2.114 689 Y HA -0.210 4.354 4.550 0.024 0.000 0.284 689 Y C 2.435 178.203 175.900 -0.219 0.000 1.143 689 Y CA 2.385 60.355 58.100 -0.217 0.000 1.135 689 Y CB -0.300 38.047 38.460 -0.189 0.000 0.980 689 Y HN 0.325 nan 8.280 nan 0.000 0.499 690 K N -0.685 119.590 120.400 -0.208 0.000 2.113 690 K HA -0.245 4.089 4.320 0.024 0.000 0.208 690 K C 1.091 177.563 176.600 -0.214 0.000 1.047 690 K CA 2.157 58.296 56.287 -0.247 0.000 0.928 690 K CB -0.437 31.862 32.500 -0.335 0.000 0.716 690 K HN 0.596 nan 8.250 nan 0.000 0.446 691 H N -0.152 118.793 119.070 -0.209 0.000 2.524 691 H HA 0.201 4.771 4.556 0.024 0.000 0.280 691 H C -0.086 175.075 175.328 -0.278 0.000 1.018 691 H CA 0.168 56.092 56.048 -0.207 0.000 1.165 691 H CB 0.232 29.869 29.762 -0.207 0.000 1.411 691 H HN 0.114 nan 8.280 nan 0.000 0.569 692 L N -0.132 120.936 121.223 -0.259 0.000 4.406 692 L HA -0.249 4.106 4.340 0.024 0.000 0.406 692 L C -0.342 176.260 176.870 -0.446 0.000 1.133 692 L CA 0.520 55.116 54.840 -0.407 0.000 0.974 692 L CB -1.632 40.166 42.059 -0.435 0.000 2.152 692 L HN 0.257 nan 8.230 nan 0.000 0.736 693 K N 0.917 121.120 120.400 -0.329 0.000 2.143 693 K HA 0.475 4.809 4.320 0.024 0.000 0.272 693 K C -2.142 174.315 176.600 -0.237 0.000 1.001 693 K CA -1.797 54.319 56.287 -0.284 0.000 0.915 693 K CB 0.815 33.205 32.500 -0.184 0.000 1.047 693 K HN -0.239 nan 8.250 nan 0.000 0.458 694 P HA -0.019 nan 4.420 nan 0.000 0.264 694 P C -0.802 176.430 177.300 -0.114 0.000 1.183 694 P CA 0.608 63.605 63.100 -0.172 0.000 0.763 694 P CB 0.375 31.975 31.700 -0.167 0.000 0.807 695 I N 1.868 122.385 120.570 -0.088 0.000 2.533 695 I HA 0.623 4.807 4.170 0.024 0.000 0.290 695 I C -0.348 175.726 176.117 -0.071 0.000 1.056 695 I CA -0.931 60.338 61.300 -0.052 0.000 1.057 695 I CB 2.311 40.307 38.000 -0.006 0.000 1.240 695 I HN 0.260 nan 8.210 nan 0.000 0.423 696 A N 7.491 130.277 122.820 -0.057 0.000 2.371 696 A HA 0.916 5.251 4.320 0.024 0.000 0.311 696 A C -1.170 176.513 177.584 0.165 0.000 1.068 696 A CA -0.457 51.541 52.037 -0.066 0.000 0.744 696 A CB 1.284 20.096 19.000 -0.313 0.000 1.239 696 A HN 0.672 nan 8.150 nan 0.000 0.435 697 L N 1.904 123.292 121.223 0.275 0.000 2.409 697 L HA 0.718 5.072 4.340 0.024 0.000 0.272 697 L C 0.117 177.173 176.870 0.311 0.000 0.980 697 L CA -0.593 54.401 54.840 0.257 0.000 0.826 697 L CB 2.063 44.221 42.059 0.165 0.000 1.268 697 L HN 0.814 nan 8.230 nan 0.000 0.407 698 A N 2.175 125.082 122.820 0.145 0.000 2.330 698 A HA 0.855 5.190 4.320 0.024 0.000 0.327 698 A C 0.617 178.185 177.584 -0.027 0.000 1.155 698 A CA 0.296 52.292 52.037 -0.068 0.000 0.803 698 A CB 1.289 20.089 19.000 -0.333 0.000 1.208 698 A HN 1.004 nan 8.150 nan 0.000 0.477 699 G N 1.890 110.666 108.800 -0.040 0.000 2.651 699 G HA2 -0.347 3.627 3.960 0.024 0.000 0.315 699 G HA3 -0.347 3.627 3.960 0.024 0.000 0.315 699 G C 0.486 175.390 174.900 0.005 0.000 1.258 699 G CA 0.865 45.951 45.100 -0.024 0.000 1.002 699 G HN 0.718 nan 8.290 nan 0.000 0.551 700 D N 1.454 121.855 120.400 0.002 0.000 2.350 700 D HA 0.222 4.877 4.640 0.024 0.000 0.216 700 D C 2.542 178.855 176.300 0.021 0.000 0.968 700 D CA 1.388 55.387 54.000 -0.003 0.000 0.894 700 D CB -0.608 40.182 40.800 -0.017 0.000 0.909 700 D HN 0.760 nan 8.370 nan 0.000 0.520 701 A N 0.789 123.659 122.820 0.084 0.000 2.125 701 A HA -0.170 4.164 4.320 0.024 0.000 0.219 701 A C 2.052 179.765 177.584 0.214 0.000 1.156 701 A CA 0.717 52.885 52.037 0.218 0.000 0.671 701 A CB -0.407 18.729 19.000 0.226 0.000 0.794 701 A HN 0.132 nan 8.150 nan 0.000 0.459 702 R N -0.178 120.386 120.500 0.106 0.000 2.241 702 R HA -0.102 4.253 4.340 0.024 0.000 0.224 702 R C 1.741 178.057 176.300 0.028 0.000 1.101 702 R CA 1.298 57.447 56.100 0.081 0.000 0.995 702 R CB -0.210 30.122 30.300 0.053 0.000 0.870 702 R HN 0.532 nan 8.270 nan 0.000 0.463 703 K N -0.016 120.357 120.400 -0.046 0.000 2.152 703 K HA -0.145 4.190 4.320 0.024 0.000 0.206 703 K C 1.410 177.905 176.600 -0.176 0.000 1.048 703 K CA 1.330 57.532 56.287 -0.141 0.000 0.933 703 K CB -0.177 32.181 32.500 -0.236 0.000 0.721 703 K HN 0.156 nan 8.250 nan 0.000 0.447 704 F N 1.628 121.553 119.950 -0.041 0.000 2.449 704 F HA -0.168 4.374 4.527 0.024 0.000 0.299 704 F C 1.922 177.675 175.800 -0.079 0.000 1.092 704 F CA 0.916 58.880 58.000 -0.060 0.000 1.446 704 F CB -0.148 38.817 39.000 -0.060 0.000 1.084 704 F HN -0.031 nan 8.300 nan 0.000 0.567 705 K N 0.141 120.588 120.400 0.078 0.000 2.152 705 K HA -0.203 4.132 4.320 0.024 0.000 0.206 705 K C 2.300 178.876 176.600 -0.041 0.000 1.048 705 K CA 1.114 57.403 56.287 0.004 0.000 0.933 705 K CB -0.321 32.177 32.500 -0.004 0.000 0.721 705 K HN 0.293 nan 8.250 nan 0.000 0.447 706 A N 0.562 123.362 122.820 -0.035 0.000 1.929 706 A HA -0.113 4.221 4.320 0.024 0.000 0.216 706 A C 2.156 179.709 177.584 -0.051 0.000 1.176 706 A CA 1.698 53.705 52.037 -0.050 0.000 0.628 706 A CB -0.767 18.201 19.000 -0.053 0.000 0.816 706 A HN 0.208 nan 8.150 nan 0.000 0.444 707 T N 1.050 115.593 114.554 -0.020 0.000 2.685 707 T HA -0.186 4.178 4.350 0.024 0.000 0.268 707 T C 1.532 176.170 174.700 -0.103 0.000 1.034 707 T CA 1.926 64.017 62.100 -0.015 0.000 1.149 707 T CB -0.569 68.353 68.868 0.090 0.000 0.860 707 T HN 0.683 nan 8.240 nan 0.000 0.449 708 I N -1.786 118.671 120.570 -0.187 0.000 3.956 708 I HA 0.294 4.478 4.170 0.024 0.000 0.333 708 I C -0.216 175.642 176.117 -0.431 0.000 1.302 708 I CA -0.258 60.789 61.300 -0.422 0.000 1.122 708 I CB -0.001 37.574 38.000 -0.708 0.000 1.013 708 I HN -0.031 nan 8.210 nan 0.000 0.405 709 K N 1.738 122.003 120.400 -0.225 0.000 3.181 709 K HA -0.102 4.232 4.320 0.024 0.000 0.269 709 K C -0.381 176.138 176.600 -0.134 0.000 1.097 709 K CA 0.424 56.623 56.287 -0.147 0.000 0.783 709 K CB -1.935 30.500 32.500 -0.109 0.000 1.267 709 K HN 0.360 nan 8.250 nan 0.000 0.484 710 I N 0.577 121.070 120.570 -0.129 0.000 2.472 710 I HA 0.307 4.492 4.170 0.024 0.000 0.290 710 I C 1.466 177.562 176.117 -0.035 0.000 1.016 710 I CA -0.828 60.430 61.300 -0.070 0.000 1.348 710 I CB 0.845 38.811 38.000 -0.056 0.000 1.417 710 I HN 0.277 nan 8.210 nan 0.000 0.521 711 A N 4.263 127.075 122.820 -0.014 0.000 2.406 711 A HA 0.107 4.441 4.320 0.024 0.000 0.243 711 A C 1.025 178.606 177.584 -0.006 0.000 1.082 711 A CA -0.177 51.855 52.037 -0.008 0.000 0.786 711 A CB 0.055 19.055 19.000 0.001 0.000 1.029 711 A HN 0.769 nan 8.150 nan 0.000 0.495 712 D N -0.012 120.384 120.400 -0.006 0.000 2.133 712 D HA -0.171 4.483 4.640 0.024 0.000 0.195 712 D C 1.878 178.179 176.300 0.002 0.000 0.997 712 D CA 1.937 55.935 54.000 -0.003 0.000 0.840 712 D CB 0.045 40.842 40.800 -0.004 0.000 0.947 712 D HN 0.713 nan 8.370 nan 0.000 0.452 713 Q N 0.851 120.653 119.800 0.003 0.000 2.444 713 Q HA 0.104 4.459 4.340 0.024 0.000 0.206 713 Q C 0.680 176.685 176.000 0.008 0.000 0.948 713 Q CA 0.931 56.738 55.803 0.006 0.000 0.946 713 Q CB -0.012 28.729 28.738 0.005 0.000 1.027 713 Q HN 0.160 nan 8.270 nan 0.000 0.513 714 G N 1.420 110.224 108.800 0.007 0.000 2.828 714 G HA2 -0.264 3.711 3.960 0.024 0.000 0.463 714 G HA3 -0.264 3.711 3.960 0.024 0.000 0.463 714 G C -1.050 173.857 174.900 0.010 0.000 1.394 714 G CA -0.087 45.018 45.100 0.010 0.000 0.862 714 G HN 0.640 nan 8.290 nan 0.000 0.540 715 E N -0.843 119.365 120.200 0.012 0.000 2.390 715 E HA 0.556 4.920 4.350 0.024 0.000 0.277 715 E C -0.658 175.939 176.600 -0.005 0.000 0.939 715 E CA -1.083 55.323 56.400 0.011 0.000 0.769 715 E CB 1.417 31.136 29.700 0.033 0.000 1.251 715 E HN 0.425 nan 8.360 nan 0.000 0.450 716 E N 0.858 121.047 120.200 -0.019 0.000 2.694 716 E HA 0.087 4.451 4.350 0.024 0.000 0.250 716 E C 0.841 177.401 176.600 -0.067 0.000 0.963 716 E CA 1.840 58.213 56.400 -0.044 0.000 0.949 716 E CB 0.582 30.255 29.700 -0.046 0.000 0.911 716 E HN 0.933 nan 8.360 nan 0.000 0.500 717 G N 3.137 111.883 108.800 -0.089 0.000 2.179 717 G HA2 -0.205 3.769 3.960 0.024 0.000 0.220 717 G HA3 -0.205 3.769 3.960 0.024 0.000 0.220 717 G C 0.164 175.012 174.900 -0.087 0.000 0.990 717 G CA -0.340 44.686 45.100 -0.123 0.000 0.646 717 G HN 0.430 nan 8.290 nan 0.000 0.517 718 I N 2.023 122.565 120.570 -0.046 0.000 2.355 718 I HA 0.457 4.642 4.170 0.024 0.000 0.288 718 I C 0.482 176.561 176.117 -0.064 0.000 0.999 718 I CA -1.057 60.225 61.300 -0.030 0.000 1.163 718 I CB 1.346 39.360 38.000 0.022 0.000 1.316 718 I HN -0.116 nan 8.210 nan 0.000 0.454 719 V N 7.410 127.248 119.914 -0.127 0.000 2.498 719 V HA 0.361 4.495 4.120 0.024 0.000 0.279 719 V C 0.244 176.297 176.094 -0.068 0.000 1.048 719 V CA -0.389 61.793 62.300 -0.198 0.000 0.967 719 V CB 1.232 32.772 31.823 -0.473 0.000 0.988 719 V HN 0.869 nan 8.190 nan 0.000 0.473 720 E N 4.204 124.436 120.200 0.052 0.000 2.343 720 E HA 0.855 5.220 4.350 0.024 0.000 0.278 720 E C -1.052 175.687 176.600 0.231 0.000 0.910 720 E CA -0.939 55.576 56.400 0.192 0.000 0.757 720 E CB 2.488 32.251 29.700 0.106 0.000 1.218 720 E HN 0.780 nan 8.360 nan 0.000 0.435 721 A N 2.045 125.021 122.820 0.260 0.000 2.586 721 A HA 0.375 4.710 4.320 0.024 0.000 0.290 721 A C -0.418 177.190 177.584 0.041 0.000 1.086 721 A CA -0.610 51.518 52.037 0.152 0.000 0.665 721 A CB 1.273 20.401 19.000 0.214 0.000 1.279 721 A HN 0.605 nan 8.150 nan 0.000 0.423 722 D N 0.483 120.886 120.400 0.006 0.000 2.178 722 D HA 0.004 4.659 4.640 0.024 0.000 0.201 722 D C 1.097 177.348 176.300 -0.082 0.000 0.980 722 D CA 2.356 56.339 54.000 -0.028 0.000 0.842 722 D CB 0.042 40.830 40.800 -0.020 0.000 0.948 722 D HN 0.769 nan 8.370 nan 0.000 0.472 723 S N -1.873 113.746 115.700 -0.136 0.000 2.671 723 S HA 0.656 5.140 4.470 0.024 0.000 0.277 723 S C -0.028 174.277 174.600 -0.492 0.000 1.165 723 S CA -0.459 57.596 58.200 -0.240 0.000 0.822 723 S CB 1.945 65.054 63.200 -0.153 0.000 1.150 723 S HN -0.042 nan 8.310 nan 0.000 0.479 724 A N 0.923 123.364 122.820 -0.632 0.000 2.412 724 A HA 0.309 4.644 4.320 0.024 0.000 0.253 724 A C 0.559 177.981 177.584 -0.271 0.000 1.334 724 A CA 0.076 51.575 52.037 -0.897 0.000 0.929 724 A CB -1.403 17.159 19.000 -0.729 0.000 0.983 724 A HN 0.837 nan 8.150 nan 0.000 0.508 725 D N -1.475 118.833 120.400 -0.154 0.000 2.507 725 D HA 0.477 5.131 4.640 0.024 0.000 0.280 725 D C 1.197 177.520 176.300 0.039 0.000 1.219 725 D CA 0.313 54.292 54.000 -0.034 0.000 1.085 725 D CB -0.441 40.337 40.800 -0.037 0.000 1.134 725 D HN 0.508 nan 8.370 nan 0.000 0.583 726 G N 0.058 108.880 108.800 0.037 0.000 2.684 726 G HA2 -0.363 3.612 3.960 0.024 0.000 0.332 726 G HA3 -0.363 3.612 3.960 0.024 0.000 0.332 726 G C 0.979 175.929 174.900 0.084 0.000 1.306 726 G CA 2.337 47.468 45.100 0.051 0.000 1.002 726 G HN 1.293 nan 8.290 nan 0.000 0.545 727 S N -0.133 115.622 115.700 0.092 0.000 2.603 727 S HA 0.260 4.745 4.470 0.024 0.000 0.220 727 S C 1.856 176.526 174.600 0.117 0.000 0.967 727 S CA 1.159 59.408 58.200 0.081 0.000 0.920 727 S CB -0.076 63.155 63.200 0.052 0.000 0.773 727 S HN 0.849 nan 8.310 nan 0.000 0.529 728 F N 2.510 122.458 119.950 -0.004 0.000 2.069 728 F HA -0.095 4.446 4.527 0.024 0.000 0.298 728 F C 2.253 178.049 175.800 -0.007 0.000 1.113 728 F CA 1.710 59.707 58.000 -0.005 0.000 1.214 728 F CB -0.226 38.772 39.000 -0.003 0.000 0.978 728 F HN 0.154 nan 8.300 nan 0.000 0.474 729 M N 0.124 119.878 119.600 0.257 0.000 2.200 729 M HA -0.162 4.333 4.480 0.024 0.000 0.265 729 M C 1.815 178.117 176.300 0.003 0.000 1.066 729 M CA 1.314 56.686 55.300 0.119 0.000 1.127 729 M CB -1.332 31.364 32.600 0.160 0.000 1.379 729 M HN 0.147 nan 8.290 nan 0.000 0.420 730 D N 0.451 120.860 120.400 0.016 0.000 2.117 730 D HA -0.151 4.503 4.640 0.024 0.000 0.197 730 D C 1.945 178.216 176.300 -0.048 0.000 0.987 730 D CA 1.191 55.185 54.000 -0.010 0.000 0.829 730 D CB -0.136 40.666 40.800 0.004 0.000 0.961 730 D HN 0.472 nan 8.370 nan 0.000 0.460 731 E N 0.410 120.564 120.200 -0.076 0.000 2.077 731 E HA -0.122 4.243 4.350 0.024 0.000 0.193 731 E C 2.121 178.628 176.600 -0.155 0.000 0.989 731 E CA 0.176 56.510 56.400 -0.111 0.000 0.800 731 E CB -0.025 29.599 29.700 -0.127 0.000 0.746 731 E HN 0.148 nan 8.360 nan 0.000 0.452 732 L N 0.949 122.040 121.223 -0.221 0.000 2.017 732 L HA -0.173 4.181 4.340 0.024 0.000 0.208 732 L C 2.108 178.902 176.870 -0.126 0.000 1.073 732 L CA 1.640 56.350 54.840 -0.218 0.000 0.745 732 L CB -0.474 41.417 42.059 -0.280 0.000 0.894 732 L HN 0.235 nan 8.230 nan 0.000 0.432 733 L N -0.576 120.594 121.223 -0.087 0.000 2.141 733 L HA -0.186 4.169 4.340 0.024 0.000 0.209 733 L C 2.462 179.303 176.870 -0.048 0.000 1.094 733 L CA 1.356 56.164 54.840 -0.054 0.000 0.763 733 L CB -0.745 41.294 42.059 -0.033 0.000 0.908 733 L HN 0.240 nan 8.230 nan 0.000 0.437 734 T N 0.267 114.788 114.554 -0.054 0.000 2.684 734 T HA -0.179 4.185 4.350 0.024 0.000 0.267 734 T C 1.946 176.610 174.700 -0.059 0.000 1.036 734 T CA 1.333 63.406 62.100 -0.045 0.000 1.148 734 T CB -0.257 68.585 68.868 -0.044 0.000 0.863 734 T HN 0.202 nan 8.240 nan 0.000 0.436 735 L N 0.162 121.330 121.223 -0.091 0.000 2.046 735 L HA -0.090 4.264 4.340 0.024 0.000 0.208 735 L C 2.710 179.512 176.870 -0.113 0.000 1.077 735 L CA 1.317 56.083 54.840 -0.123 0.000 0.747 735 L CB -0.543 41.423 42.059 -0.155 0.000 0.896 735 L HN 0.316 nan 8.230 nan 0.000 0.432 736 M N -0.749 118.801 119.600 -0.083 0.000 2.175 736 M HA -0.151 4.343 4.480 0.024 0.000 0.264 736 M C 2.423 178.720 176.300 -0.005 0.000 1.063 736 M CA 1.672 56.942 55.300 -0.050 0.000 1.119 736 M CB -0.429 32.150 32.600 -0.036 0.000 1.377 736 M HN 0.305 nan 8.290 nan 0.000 0.415 737 A N 0.083 122.900 122.820 -0.005 0.000 2.067 737 A HA 0.079 4.414 4.320 0.024 0.000 0.219 737 A C 2.096 179.714 177.584 0.057 0.000 1.158 737 A CA 1.614 53.668 52.037 0.028 0.000 0.661 737 A CB -0.585 18.426 19.000 0.018 0.000 0.801 737 A HN 0.499 nan 8.150 nan 0.000 0.452 738 A N -2.797 120.036 122.820 0.021 0.000 2.308 738 A HA 0.383 4.718 4.320 0.024 0.000 0.217 738 A C 0.902 178.511 177.584 0.042 0.000 1.216 738 A CA 1.200 53.262 52.037 0.042 0.000 0.864 738 A CB -0.346 18.638 19.000 -0.026 0.000 0.902 738 A HN 0.927 nan 8.150 nan 0.000 0.499 739 H N -1.336 117.669 119.070 -0.109 0.000 4.806 739 H HA -0.170 4.401 4.556 0.024 0.000 0.061 739 H C 0.026 175.128 175.328 -0.377 0.000 0.604 739 H CA 2.281 58.242 56.048 -0.145 0.000 0.938 739 H CB -0.630 29.146 29.762 0.023 0.000 0.431 739 H HN 0.441 nan 8.280 nan 0.000 0.803 740 R N -0.246 119.688 120.500 -0.943 0.000 2.867 740 R HA 0.634 4.988 4.340 0.024 0.000 0.268 740 R C -0.593 174.875 176.300 -1.387 0.000 1.014 740 R CA -0.296 55.002 56.100 -1.338 0.000 0.946 740 R CB 1.679 30.842 30.300 -1.896 0.000 1.208 740 R HN 0.084 nan 8.270 nan 0.000 0.477 741 V N 2.315 121.620 119.914 -1.014 0.000 2.174 741 V HA 0.103 4.237 4.120 0.024 0.000 0.259 741 V C 0.657 176.376 176.094 -0.626 0.000 1.261 741 V CA -0.441 61.442 62.300 -0.694 0.000 1.137 741 V CB -0.408 31.147 31.823 -0.447 0.000 1.290 741 V HN 0.705 nan 8.190 nan 0.000 0.486 742 W N 1.419 122.427 121.300 -0.486 0.000 2.364 742 W HA -0.197 4.477 4.660 0.024 0.000 0.281 742 W C 2.525 178.824 176.519 -0.367 0.000 1.219 742 W CA 0.920 57.893 57.345 -0.620 0.000 1.220 742 W CB -0.455 28.210 29.460 -1.325 0.000 1.127 742 W HN 0.640 nan 8.180 nan 0.000 0.556 743 S N 0.659 116.295 115.700 -0.107 0.000 2.474 743 S HA -0.152 4.332 4.470 0.024 0.000 0.235 743 S C 1.715 176.275 174.600 -0.065 0.000 0.997 743 S CA 0.877 59.044 58.200 -0.055 0.000 0.949 743 S CB -0.454 62.715 63.200 -0.051 0.000 0.766 743 S HN 0.396 nan 8.310 nan 0.000 0.517 744 R N 0.691 121.110 120.500 -0.134 0.000 2.280 744 R HA 0.191 4.545 4.340 0.024 0.000 0.207 744 R C 1.802 178.042 176.300 -0.100 0.000 1.043 744 R CA 0.561 56.564 56.100 -0.162 0.000 1.006 744 R CB -0.421 29.670 30.300 -0.348 0.000 0.885 744 R HN 0.492 nan 8.270 nan 0.000 0.467 745 I N 1.399 121.948 120.570 -0.035 0.000 2.163 745 I HA -0.225 3.959 4.170 0.024 0.000 0.243 745 I C -0.834 175.311 176.117 0.046 0.000 1.085 745 I CA 1.306 62.626 61.300 0.034 0.000 1.347 745 I CB -0.788 37.280 38.000 0.114 0.000 1.044 745 I HN 0.159 nan 8.210 nan 0.000 0.408 746 P HA -0.137 nan 4.420 nan 0.000 0.222 746 P C 1.211 178.543 177.300 0.052 0.000 1.147 746 P CA 1.224 64.356 63.100 0.053 0.000 0.790 746 P CB 0.048 31.776 31.700 0.047 0.000 0.780 747 K N -0.161 120.266 120.400 0.046 0.000 2.155 747 K HA -0.024 4.310 4.320 0.024 0.000 0.203 747 K C 1.976 178.637 176.600 0.103 0.000 1.052 747 K CA 0.934 57.269 56.287 0.080 0.000 0.948 747 K CB -0.904 31.668 32.500 0.119 0.000 0.728 747 K HN 0.294 nan 8.250 nan 0.000 0.448 748 I N -1.730 118.878 120.570 0.063 0.000 2.617 748 I HA -0.099 4.086 4.170 0.024 0.000 0.256 748 I C 0.973 177.133 176.117 0.072 0.000 1.167 748 I CA 1.244 62.584 61.300 0.067 0.000 1.469 748 I CB -0.096 37.895 38.000 -0.014 0.000 1.098 748 I HN -0.094 nan 8.210 nan 0.000 0.436 749 D N 2.854 123.297 120.400 0.072 0.000 2.158 749 D HA -0.203 4.451 4.640 0.024 0.000 0.197 749 D C 2.064 178.404 176.300 0.066 0.000 0.995 749 D CA 2.069 56.112 54.000 0.073 0.000 0.846 749 D CB -0.076 40.768 40.800 0.074 0.000 0.941 749 D HN 0.689 nan 8.370 nan 0.000 0.456 750 K N 0.743 121.181 120.400 0.063 0.000 2.361 750 K HA 0.063 4.397 4.320 0.024 0.000 0.196 750 K C 1.351 177.981 176.600 0.049 0.000 1.039 750 K CA 0.048 56.367 56.287 0.053 0.000 1.001 750 K CB -0.208 32.319 32.500 0.046 0.000 0.795 750 K HN 0.217 nan 8.250 nan 0.000 0.495 751 I N 1.177 121.782 120.570 0.059 0.000 2.496 751 I HA 0.218 4.402 4.170 0.024 0.000 0.285 751 I C -2.478 173.666 176.117 0.044 0.000 1.080 751 I CA -2.305 59.023 61.300 0.047 0.000 1.404 751 I CB 0.467 38.503 38.000 0.059 0.000 1.403 751 I HN -0.109 nan 8.210 nan 0.000 0.539 752 P HA 0.478 nan 4.420 nan 0.000 0.262 752 P C -0.794 176.557 177.300 0.085 0.000 1.620 752 P CA -0.055 63.078 63.100 0.056 0.000 1.089 752 P CB 0.787 32.516 31.700 0.048 0.000 1.601 753 A N 0.000 122.872 122.820 0.087 0.000 2.254 753 A HA 0.000 4.334 4.320 0.024 0.000 0.244 753 A CA 0.000 52.127 52.037 0.150 0.000 0.836 753 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486