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 3pq4_1_C DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.562 174.600 -0.063 0.000 1.055 28 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 28 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 29 L N 2.948 124.127 121.223 -0.074 0.000 2.375 29 L HA 0.375 4.738 4.340 0.038 0.000 0.215 29 L C 1.542 178.337 176.870 -0.124 0.000 1.108 29 L CA 0.624 55.417 54.840 -0.078 0.000 0.830 29 L CB -0.539 41.484 42.059 -0.060 0.000 0.959 29 L HN 0.737 nan 8.230 nan 0.000 0.457 30 A N 1.400 124.095 122.820 -0.209 0.000 2.445 30 A HA 0.380 4.723 4.320 0.038 0.000 0.242 30 A C -2.017 175.419 177.584 -0.247 0.000 1.075 30 A CA -0.958 50.838 52.037 -0.402 0.000 0.777 30 A CB -0.522 17.966 19.000 -0.852 0.000 1.013 30 A HN -0.019 nan 8.150 nan 0.000 0.493 31 P HA 0.129 nan 4.420 nan 0.000 0.271 31 P C 0.237 177.521 177.300 -0.026 0.000 1.218 31 P CA -0.074 62.993 63.100 -0.055 0.000 0.780 31 P CB 0.815 32.523 31.700 0.014 0.000 0.901 32 E N 1.180 121.374 120.200 -0.010 0.000 2.160 32 E HA -0.222 4.151 4.350 0.038 0.000 0.195 32 E C 0.987 177.606 176.600 0.031 0.000 0.991 32 E CA 1.596 57.999 56.400 0.005 0.000 0.810 32 E CB -0.203 29.497 29.700 0.000 0.000 0.742 32 E HN 0.510 nan 8.360 nan 0.000 0.466 33 D N -1.334 119.091 120.400 0.041 0.000 2.336 33 D HA 0.038 4.701 4.640 0.038 0.000 0.229 33 D C 1.166 177.513 176.300 0.077 0.000 1.061 33 D CA 0.694 54.723 54.000 0.048 0.000 0.875 33 D CB -0.263 40.559 40.800 0.036 0.000 0.904 33 D HN 0.227 nan 8.370 nan 0.000 0.525 34 G N 0.666 109.552 108.800 0.143 0.000 2.187 34 G HA2 -0.382 3.601 3.960 0.038 0.000 0.261 34 G HA3 -0.382 3.601 3.960 0.038 0.000 0.261 34 G C 1.091 176.079 174.900 0.147 0.000 1.000 34 G CA 0.966 46.200 45.100 0.224 0.000 0.718 34 G HN 0.668 nan 8.290 nan 0.000 0.519 35 S N 0.282 116.071 115.700 0.149 0.000 2.595 35 S HA -0.094 4.398 4.470 0.038 0.000 0.235 35 S C 1.952 176.604 174.600 0.087 0.000 0.974 35 S CA 1.316 59.564 58.200 0.080 0.000 0.942 35 S CB -0.516 62.722 63.200 0.064 0.000 0.766 35 S HN 0.950 nan 8.310 nan 0.000 0.536 36 H N 1.009 120.085 119.070 0.010 0.000 2.470 36 H HA 0.238 4.817 4.556 0.037 0.000 0.289 36 H C 0.887 176.225 175.328 0.018 0.000 1.033 36 H CA 0.431 56.486 56.048 0.012 0.000 1.331 36 H CB -0.376 29.392 29.762 0.010 0.000 1.414 36 H HN 0.316 nan 8.280 nan 0.000 0.545 37 R N 2.677 122.823 120.500 -0.591 0.000 2.202 37 R HA 0.307 4.670 4.340 0.038 0.000 0.334 37 R C -2.507 173.696 176.300 -0.162 0.000 1.036 37 R CA -1.941 53.911 56.100 -0.414 0.000 0.878 37 R CB 0.663 30.649 30.300 -0.523 0.000 1.067 37 R HN 0.144 nan 8.270 nan 0.000 0.457 38 P HA 0.068 nan 4.420 nan 0.000 0.268 38 P C -1.003 176.286 177.300 -0.017 0.000 1.205 38 P CA -0.204 62.884 63.100 -0.020 0.000 0.771 38 P CB 0.935 32.649 31.700 0.023 0.000 0.858 39 A N 3.185 126.001 122.820 -0.007 0.000 2.566 39 A HA 0.323 4.666 4.320 0.038 0.000 0.245 39 A C 0.947 178.540 177.584 0.016 0.000 1.056 39 A CA 0.256 52.293 52.037 0.001 0.000 0.757 39 A CB -0.537 18.466 19.000 0.006 0.000 0.979 39 A HN 0.588 nan 8.150 nan 0.000 0.508 40 A N 3.599 126.427 122.820 0.014 0.000 3.118 40 A HA 0.504 4.847 4.320 0.038 0.000 0.256 40 A C 0.385 177.986 177.584 0.028 0.000 1.667 40 A CA 0.229 52.281 52.037 0.025 0.000 1.338 40 A CB -0.827 18.184 19.000 0.019 0.000 1.127 40 A HN 0.953 nan 8.150 nan 0.000 0.634 41 E N -0.687 119.533 120.200 0.033 0.000 2.416 41 E HA 0.458 4.831 4.350 0.038 0.000 0.280 41 E C -3.321 173.302 176.600 0.038 0.000 1.055 41 E CA -2.364 54.057 56.400 0.035 0.000 0.825 41 E CB 0.532 30.248 29.700 0.026 0.000 1.312 41 E HN 0.044 nan 8.360 nan 0.000 0.452 42 P HA 0.106 nan 4.420 nan 0.000 0.267 42 P C -0.895 176.415 177.300 0.016 0.000 1.209 42 P CA 0.369 63.484 63.100 0.026 0.000 0.763 42 P CB 0.599 32.306 31.700 0.011 0.000 0.816 43 T N 1.179 115.739 114.554 0.010 0.000 2.903 43 T HA 0.673 5.046 4.350 0.038 0.000 0.299 43 T C -2.936 171.744 174.700 -0.034 0.000 1.093 43 T CA -2.575 59.525 62.100 0.001 0.000 1.002 43 T CB 1.884 70.757 68.868 0.008 0.000 1.127 43 T HN 0.069 nan 8.240 nan 0.000 0.488 44 P HA 0.432 nan 4.420 nan 0.000 0.276 44 P C -2.866 174.298 177.300 -0.226 0.000 1.252 44 P CA -1.937 61.036 63.100 -0.213 0.000 0.802 44 P CB -0.748 30.892 31.700 -0.099 0.000 1.035 45 P HA 0.094 nan 4.420 nan 0.000 0.264 45 P C 1.001 178.250 177.300 -0.085 0.000 1.193 45 P CA 1.428 64.426 63.100 -0.170 0.000 0.763 45 P CB -0.280 31.314 31.700 -0.178 0.000 0.810 46 G N 2.800 111.580 108.800 -0.033 0.000 2.217 46 G HA2 -0.312 3.671 3.960 0.038 0.000 0.246 46 G HA3 -0.312 3.671 3.960 0.038 0.000 0.246 46 G C 1.134 176.031 174.900 -0.005 0.000 0.990 46 G CA 0.349 45.444 45.100 -0.008 0.000 0.627 46 G HN 0.648 nan 8.290 nan 0.000 0.522 47 A N -1.043 121.770 122.820 -0.012 0.000 1.968 47 A HA 0.416 4.759 4.320 0.038 0.000 0.217 47 A C 1.352 178.938 177.584 0.005 0.000 1.169 47 A CA 1.984 54.019 52.037 -0.003 0.000 0.638 47 A CB -0.007 18.989 19.000 -0.006 0.000 0.812 47 A HN 0.474 nan 8.150 nan 0.000 0.446 48 Q N -1.122 118.684 119.800 0.010 0.000 2.456 48 Q HA 0.456 4.819 4.340 0.038 0.000 0.283 48 Q C -2.940 173.074 176.000 0.024 0.000 1.084 48 Q CA -2.033 53.780 55.803 0.017 0.000 0.801 48 Q CB 1.024 29.776 28.738 0.023 0.000 1.434 48 Q HN 0.077 nan 8.270 nan 0.000 0.419 49 P HA 0.066 nan 4.420 nan 0.000 0.269 49 P C -0.304 177.027 177.300 0.053 0.000 1.209 49 P CA -0.025 63.090 63.100 0.025 0.000 0.776 49 P CB 0.270 31.982 31.700 0.019 0.000 0.876 50 T N -0.715 113.871 114.554 0.054 0.000 2.860 50 T HA 0.582 4.955 4.350 0.038 0.000 0.299 50 T C -0.018 174.773 174.700 0.151 0.000 1.045 50 T CA -0.512 61.670 62.100 0.137 0.000 1.071 50 T CB 0.578 69.476 68.868 0.049 0.000 0.985 50 T HN 0.556 nan 8.240 nan 0.000 0.537 51 A N 1.925 124.936 122.820 0.318 0.000 2.587 51 A HA 0.793 5.136 4.320 0.038 0.000 0.293 51 A C -2.967 174.883 177.584 0.442 0.000 1.087 51 A CA -2.091 50.104 52.037 0.263 0.000 0.692 51 A CB 0.750 19.855 19.000 0.174 0.000 1.291 51 A HN 0.680 nan 8.150 nan 0.000 0.407 52 P HA 0.107 nan 4.420 nan 0.000 0.267 52 P C 1.164 178.623 177.300 0.264 0.000 1.201 52 P CA 0.829 64.160 63.100 0.385 0.000 0.775 52 P CB 0.473 32.315 31.700 0.236 0.000 0.854 53 G N 1.451 110.361 108.800 0.184 0.000 2.418 53 G HA2 -0.252 3.731 3.960 0.038 0.000 0.217 53 G HA3 -0.252 3.731 3.960 0.038 0.000 0.217 53 G C 1.541 176.459 174.900 0.029 0.000 1.158 53 G CA 1.015 46.133 45.100 0.031 0.000 0.771 53 G HN 0.604 nan 8.290 nan 0.000 0.545 54 S N 0.060 115.782 115.700 0.036 0.000 2.453 54 S HA 0.133 4.626 4.470 0.038 0.000 0.231 54 S C 2.241 176.861 174.600 0.033 0.000 1.005 54 S CA 0.683 58.891 58.200 0.012 0.000 0.949 54 S CB -0.178 63.022 63.200 -0.000 0.000 0.774 54 S HN 0.301 nan 8.310 nan 0.000 0.510 55 L N 0.057 121.317 121.223 0.061 0.000 2.202 55 L HA 0.208 4.571 4.340 0.038 0.000 0.205 55 L C 2.755 179.659 176.870 0.057 0.000 1.083 55 L CA 0.852 55.728 54.840 0.059 0.000 0.790 55 L CB -0.413 41.690 42.059 0.073 0.000 0.942 55 L HN 0.225 nan 8.230 nan 0.000 0.452 56 K N 1.435 121.882 120.400 0.078 0.000 2.057 56 K HA -0.054 4.289 4.320 0.038 0.000 0.207 56 K C 0.754 177.385 176.600 0.051 0.000 1.049 56 K CA 1.556 57.888 56.287 0.075 0.000 0.931 56 K CB -0.049 32.511 32.500 0.101 0.000 0.714 56 K HN 0.200 nan 8.250 nan 0.000 0.440 57 A N 0.335 123.177 122.820 0.037 0.000 3.410 57 A HA 0.335 4.678 4.320 0.038 0.000 0.276 57 A C -2.149 175.441 177.584 0.009 0.000 0.995 57 A CA -0.901 51.154 52.037 0.029 0.000 0.934 57 A CB 0.607 19.627 19.000 0.033 0.000 1.191 57 A HN 0.149 nan 8.150 nan 0.000 0.511 58 P HA -0.124 nan 4.420 nan 0.000 0.220 58 P C 0.180 177.473 177.300 -0.012 0.000 1.148 58 P CA 1.086 64.185 63.100 -0.002 0.000 0.803 58 P CB 0.292 31.995 31.700 0.005 0.000 0.782 59 D N -0.578 119.820 120.400 -0.004 0.000 2.355 59 D HA 0.001 4.664 4.640 0.038 0.000 0.218 59 D C 0.462 176.748 176.300 -0.024 0.000 1.004 59 D CA 0.660 54.654 54.000 -0.010 0.000 0.880 59 D CB -0.378 40.423 40.800 0.002 0.000 0.911 59 D HN 0.164 nan 8.370 nan 0.000 0.528 60 T N 2.564 117.100 114.554 -0.030 0.000 2.832 60 T HA 0.318 4.691 4.350 0.038 0.000 0.296 60 T C 0.585 175.239 174.700 -0.078 0.000 0.968 60 T CA -0.394 61.672 62.100 -0.057 0.000 1.107 60 T CB 1.375 70.206 68.868 -0.062 0.000 0.916 60 T HN 0.136 nan 8.240 nan 0.000 0.517 61 R N 1.702 122.146 120.500 -0.094 0.000 2.752 61 R HA 0.614 4.977 4.340 0.038 0.000 0.271 61 R C -1.507 174.729 176.300 -0.107 0.000 1.026 61 R CA -0.970 55.071 56.100 -0.099 0.000 0.901 61 R CB 1.000 31.250 30.300 -0.082 0.000 1.243 61 R HN 0.748 nan 8.270 nan 0.000 0.463 62 N N -1.877 116.766 118.700 -0.095 0.000 3.179 62 N HA 0.081 4.844 4.740 0.038 0.000 0.250 62 N C 0.003 175.471 175.510 -0.070 0.000 1.507 62 N CA -0.415 52.592 53.050 -0.071 0.000 0.883 62 N CB 0.574 39.048 38.487 -0.021 0.000 1.435 62 N HN 0.719 nan 8.380 nan 0.000 0.532 63 E N -0.322 119.852 120.200 -0.043 0.000 2.110 63 E HA -0.225 4.148 4.350 0.038 0.000 0.193 63 E C 1.026 177.562 176.600 -0.107 0.000 0.988 63 E CA 1.307 57.677 56.400 -0.050 0.000 0.804 63 E CB 0.086 29.783 29.700 -0.005 0.000 0.745 63 E HN 0.468 nan 8.360 nan 0.000 0.458 64 K N 0.809 121.113 120.400 -0.159 0.000 2.031 64 K HA -0.059 4.284 4.320 0.038 0.000 0.205 64 K C 2.106 178.548 176.600 -0.263 0.000 1.049 64 K CA 1.133 57.230 56.287 -0.316 0.000 0.939 64 K CB -0.442 31.706 32.500 -0.586 0.000 0.717 64 K HN 0.185 nan 8.250 nan 0.000 0.438 65 L N 0.987 122.072 121.223 -0.231 0.000 2.079 65 L HA -0.222 4.141 4.340 0.038 0.000 0.210 65 L C 1.807 178.567 176.870 -0.182 0.000 1.081 65 L CA 1.293 55.974 54.840 -0.266 0.000 0.752 65 L CB -0.622 41.277 42.059 -0.266 0.000 0.896 65 L HN 0.249 nan 8.230 nan 0.000 0.433 66 N N -0.333 118.284 118.700 -0.137 0.000 2.188 66 N HA -0.154 4.609 4.740 0.038 0.000 0.184 66 N C 2.071 177.524 175.510 -0.095 0.000 1.018 66 N CA 1.663 54.654 53.050 -0.099 0.000 0.858 66 N CB -0.440 38.002 38.487 -0.075 0.000 0.989 66 N HN 0.377 nan 8.380 nan 0.000 0.426 67 S N 0.287 115.920 115.700 -0.111 0.000 2.453 67 S HA 0.051 4.543 4.470 0.038 0.000 0.231 67 S C 1.781 176.320 174.600 -0.101 0.000 1.005 67 S CA 0.343 58.484 58.200 -0.098 0.000 0.949 67 S CB -0.455 62.683 63.200 -0.103 0.000 0.774 67 S HN 0.231 nan 8.310 nan 0.000 0.510 68 L N 0.883 122.029 121.223 -0.127 0.000 2.552 68 L HA 0.176 4.539 4.340 0.038 0.000 0.227 68 L C 2.604 179.426 176.870 -0.080 0.000 1.146 68 L CA 0.611 55.384 54.840 -0.112 0.000 0.858 68 L CB -0.400 41.573 42.059 -0.143 0.000 0.969 68 L HN 0.290 nan 8.230 nan 0.000 0.451 69 E N 1.150 121.306 120.200 -0.073 0.000 2.204 69 E HA -0.254 4.119 4.350 0.038 0.000 0.195 69 E C 1.638 178.218 176.600 -0.034 0.000 0.990 69 E CA 1.492 57.863 56.400 -0.049 0.000 0.821 69 E CB -0.039 29.635 29.700 -0.044 0.000 0.750 69 E HN 0.575 nan 8.360 nan 0.000 0.477 70 D N -0.556 119.822 120.400 -0.036 0.000 2.310 70 D HA -0.136 4.527 4.640 0.038 0.000 0.212 70 D C 1.589 177.876 176.300 -0.021 0.000 0.965 70 D CA 1.366 55.351 54.000 -0.026 0.000 0.879 70 D CB -0.306 40.478 40.800 -0.026 0.000 0.921 70 D HN 0.298 nan 8.370 nan 0.000 0.510 71 V N -3.631 116.269 119.914 -0.024 0.000 3.528 71 V HA 0.327 4.470 4.120 0.038 0.000 0.294 71 V C 0.814 176.903 176.094 -0.008 0.000 1.404 71 V CA -0.705 61.586 62.300 -0.015 0.000 1.065 71 V CB -0.568 31.247 31.823 -0.014 0.000 0.904 71 V HN -0.161 nan 8.190 nan 0.000 0.435 72 R N 2.119 122.613 120.500 -0.011 0.000 2.537 72 R HA 0.419 4.782 4.340 0.038 0.000 0.280 72 R C -0.414 175.890 176.300 0.007 0.000 1.058 72 R CA 0.224 56.326 56.100 0.003 0.000 1.057 72 R CB 0.544 30.845 30.300 0.002 0.000 0.973 72 R HN 0.454 nan 8.270 nan 0.000 0.438 73 K N 1.331 121.741 120.400 0.017 0.000 2.358 73 K HA 0.283 4.626 4.320 0.038 0.000 0.260 73 K C 0.198 176.825 176.600 0.046 0.000 0.956 73 K CA -0.528 55.761 56.287 0.004 0.000 0.834 73 K CB 2.276 34.764 32.500 -0.020 0.000 1.102 73 K HN 0.697 nan 8.250 nan 0.000 0.431 74 G N 0.420 109.271 108.800 0.085 0.000 2.494 74 G HA2 0.226 4.208 3.960 0.038 0.000 0.270 74 G HA3 0.226 4.208 3.960 0.038 0.000 0.270 74 G C 0.576 175.614 174.900 0.231 0.000 1.423 74 G CA 0.168 45.375 45.100 0.178 0.000 1.055 74 G HN 0.651 nan 8.290 nan 0.000 0.536 75 S N -2.871 113.028 115.700 0.332 0.000 2.323 75 S HA 0.097 4.589 4.470 0.038 0.000 0.233 75 S C 0.219 174.956 174.600 0.229 0.000 0.898 75 S CA -0.138 58.253 58.200 0.318 0.000 1.321 75 S CB -0.054 63.241 63.200 0.157 0.000 0.921 75 S HN 0.522 nan 8.310 nan 0.000 0.398 76 E N 3.056 123.305 120.200 0.082 0.000 2.465 76 E HA 0.216 4.589 4.350 0.038 0.000 0.260 76 E C -0.219 176.252 176.600 -0.215 0.000 0.980 76 E CA 0.312 56.691 56.400 -0.035 0.000 0.927 76 E CB 0.044 29.725 29.700 -0.033 0.000 0.934 76 E HN 0.404 nan 8.360 nan 0.000 0.459 77 N N 0.777 119.385 118.700 -0.153 0.000 2.909 77 N HA -0.211 4.552 4.740 0.038 0.000 0.242 77 N C -1.099 174.272 175.510 -0.232 0.000 0.975 77 N CA 1.146 54.072 53.050 -0.207 0.000 0.921 77 N CB -1.337 36.996 38.487 -0.257 0.000 1.112 77 N HN 0.378 nan 8.380 nan 0.000 0.581 78 Y N 0.674 120.981 120.300 0.010 0.000 2.387 78 Y HA 0.644 5.217 4.550 0.039 0.000 0.330 78 Y C 0.974 176.877 175.900 0.006 0.000 1.133 78 Y CA -0.667 57.438 58.100 0.008 0.000 1.152 78 Y CB 0.993 39.458 38.460 0.009 0.000 1.215 78 Y HN 0.125 nan 8.280 nan 0.000 0.466 79 A N 2.537 125.475 122.820 0.197 0.000 2.407 79 A HA 0.392 4.735 4.320 0.038 0.000 0.248 79 A C -0.675 176.959 177.584 0.083 0.000 1.082 79 A CA -0.512 51.588 52.037 0.105 0.000 0.785 79 A CB 0.063 19.108 19.000 0.075 0.000 1.020 79 A HN 0.730 nan 8.150 nan 0.000 0.489 80 L N 2.581 123.834 121.223 0.049 0.000 2.360 80 L HA 0.525 4.888 4.340 0.038 0.000 0.276 80 L C 0.609 177.487 176.870 0.015 0.000 1.121 80 L CA 1.126 55.982 54.840 0.026 0.000 0.845 80 L CB 0.519 42.585 42.059 0.011 0.000 1.143 80 L HN 0.920 nan 8.230 nan 0.000 0.452 81 T N 0.299 114.855 114.554 0.005 0.000 2.865 81 T HA 0.622 4.994 4.350 0.038 0.000 0.294 81 T C 0.146 174.847 174.700 0.003 0.000 1.119 81 T CA -0.202 61.903 62.100 0.008 0.000 1.007 81 T CB 1.022 69.896 68.868 0.010 0.000 1.225 81 T HN 0.811 nan 8.240 nan 0.000 0.515 82 T N 0.500 115.069 114.554 0.025 0.000 2.701 82 T HA 0.183 4.556 4.350 0.038 0.000 0.303 82 T C 1.081 175.799 174.700 0.030 0.000 1.030 82 T CA -0.403 61.722 62.100 0.042 0.000 1.010 82 T CB -0.084 68.852 68.868 0.113 0.000 1.007 82 T HN 0.578 nan 8.240 nan 0.000 0.532 83 N N 0.572 119.293 118.700 0.036 0.000 2.520 83 N HA -0.071 4.692 4.740 0.038 0.000 0.185 83 N C 1.551 177.083 175.510 0.037 0.000 1.068 83 N CA 0.578 53.644 53.050 0.026 0.000 0.911 83 N CB -0.182 38.332 38.487 0.044 0.000 0.961 83 N HN 0.559 nan 8.380 nan 0.000 0.446 84 Q N -0.504 119.330 119.800 0.057 0.000 2.403 84 Q HA 0.179 4.542 4.340 0.038 0.000 0.203 84 Q C 0.854 176.876 176.000 0.037 0.000 0.932 84 Q CA 0.189 56.020 55.803 0.047 0.000 0.945 84 Q CB 0.306 29.080 28.738 0.061 0.000 1.045 84 Q HN 0.407 nan 8.270 nan 0.000 0.511 85 G N 0.424 109.243 108.800 0.032 0.000 2.143 85 G HA2 -0.241 3.742 3.960 0.038 0.000 0.249 85 G HA3 -0.241 3.742 3.960 0.038 0.000 0.249 85 G C 0.115 175.039 174.900 0.039 0.000 0.981 85 G CA 0.206 45.318 45.100 0.021 0.000 0.665 85 G HN 0.227 nan 8.290 nan 0.000 0.528 86 V N 1.427 121.381 119.914 0.068 0.000 2.498 86 V HA 0.392 4.535 4.120 0.038 0.000 0.279 86 V C 1.273 177.405 176.094 0.065 0.000 1.048 86 V CA -0.616 61.736 62.300 0.086 0.000 0.967 86 V CB 1.230 33.151 31.823 0.163 0.000 0.988 86 V HN 0.399 nan 8.190 nan 0.000 0.473 87 R N 4.128 124.659 120.500 0.051 0.000 2.537 87 R HA 0.398 4.760 4.340 0.038 0.000 0.280 87 R C -0.558 175.756 176.300 0.023 0.000 1.058 87 R CA -0.100 56.020 56.100 0.035 0.000 1.057 87 R CB 0.553 30.873 30.300 0.034 0.000 0.973 87 R HN 0.573 nan 8.270 nan 0.000 0.438 88 I N 1.876 122.448 120.570 0.002 0.000 2.385 88 I HA 0.139 4.332 4.170 0.038 0.000 0.294 88 I C 0.909 177.015 176.117 -0.018 0.000 0.988 88 I CA 0.020 61.305 61.300 -0.026 0.000 1.265 88 I CB 1.925 39.899 38.000 -0.043 0.000 1.388 88 I HN 0.771 nan 8.210 nan 0.000 0.480 89 A N 3.852 126.657 122.820 -0.024 0.000 1.924 89 A HA 0.033 4.376 4.320 0.038 0.000 0.211 89 A C 0.646 178.215 177.584 -0.025 0.000 1.198 89 A CA 0.816 52.843 52.037 -0.017 0.000 0.657 89 A CB 0.076 19.069 19.000 -0.012 0.000 0.852 89 A HN 0.670 nan 8.150 nan 0.000 0.454 90 D N -0.388 119.989 120.400 -0.039 0.000 2.454 90 D HA 0.343 5.005 4.640 0.038 0.000 0.247 90 D C -1.211 175.057 176.300 -0.053 0.000 1.129 90 D CA -0.341 53.635 54.000 -0.041 0.000 0.877 90 D CB 1.167 41.943 40.800 -0.039 0.000 1.082 90 D HN 0.091 nan 8.370 nan 0.000 0.537 91 D N 1.928 122.300 120.400 -0.047 0.000 2.358 91 D HA 0.035 4.697 4.640 0.038 0.000 0.224 91 D C 0.709 176.978 176.300 -0.052 0.000 1.123 91 D CA 0.265 54.233 54.000 -0.053 0.000 0.833 91 D CB 0.506 41.280 40.800 -0.044 0.000 0.946 91 D HN 0.207 nan 8.370 nan 0.000 0.505 92 Q N -0.565 119.206 119.800 -0.048 0.000 2.317 92 Q HA 0.263 4.626 4.340 0.038 0.000 0.220 92 Q C -0.142 175.829 176.000 -0.048 0.000 0.873 92 Q CA 0.258 56.034 55.803 -0.046 0.000 0.936 92 Q CB 0.690 29.406 28.738 -0.037 0.000 1.105 92 Q HN 0.210 nan 8.270 nan 0.000 0.520 93 N N -0.071 118.598 118.700 -0.052 0.000 2.277 93 N HA 0.304 5.067 4.740 0.038 0.000 0.286 93 N C -0.971 174.505 175.510 -0.057 0.000 1.140 93 N CA -0.241 52.780 53.050 -0.049 0.000 0.799 93 N CB 2.120 40.583 38.487 -0.040 0.000 1.596 93 N HN -0.177 nan 8.380 nan 0.000 0.473 94 S N 0.716 116.385 115.700 -0.051 0.000 2.614 94 S HA 0.285 4.778 4.470 0.038 0.000 0.265 94 S C 0.170 174.744 174.600 -0.043 0.000 1.303 94 S CA -0.564 57.606 58.200 -0.051 0.000 1.000 94 S CB 0.738 63.913 63.200 -0.040 0.000 0.935 94 S HN 0.396 nan 8.310 nan 0.000 0.551 95 L N 3.102 124.300 121.223 -0.042 0.000 2.319 95 L HA 0.427 4.789 4.340 0.038 0.000 0.280 95 L C 0.098 176.960 176.870 -0.013 0.000 1.099 95 L CA 0.369 55.193 54.840 -0.026 0.000 0.828 95 L CB -0.052 41.996 42.059 -0.019 0.000 1.150 95 L HN 0.740 nan 8.230 nan 0.000 0.442 96 R N 4.120 124.614 120.500 -0.009 0.000 2.836 96 R HA 0.870 5.233 4.340 0.038 0.000 0.269 96 R C -1.219 175.081 176.300 -0.001 0.000 1.010 96 R CA -0.878 55.219 56.100 -0.005 0.000 0.930 96 R CB 1.145 31.440 30.300 -0.008 0.000 1.218 96 R HN 0.575 nan 8.270 nan 0.000 0.473 97 A N 1.230 124.050 122.820 0.001 0.000 2.650 97 A HA 0.602 4.945 4.320 0.038 0.000 0.320 97 A C 0.569 178.153 177.584 0.000 0.000 1.466 97 A CA 0.229 52.267 52.037 0.003 0.000 1.099 97 A CB -0.792 18.211 19.000 0.005 0.000 1.136 97 A HN 1.241 nan 8.150 nan 0.000 0.532 98 G N 1.220 110.020 108.800 -0.001 0.000 2.705 98 G HA2 0.028 4.011 3.960 0.038 0.000 0.686 98 G HA3 0.028 4.011 3.960 0.038 0.000 0.686 98 G C 0.706 175.603 174.900 -0.005 0.000 1.285 98 G CA 0.162 45.261 45.100 -0.002 0.000 0.800 98 G HN 1.885 nan 8.290 nan 0.000 0.611 99 S N -0.188 115.508 115.700 -0.006 0.000 2.507 99 S HA 0.011 4.503 4.470 0.038 0.000 0.235 99 S C 1.527 176.121 174.600 -0.009 0.000 0.988 99 S CA 1.413 59.608 58.200 -0.009 0.000 0.944 99 S CB 0.072 63.266 63.200 -0.009 0.000 0.762 99 S HN 0.740 nan 8.310 nan 0.000 0.526 100 R N 0.733 121.228 120.500 -0.007 0.000 2.613 100 R HA 0.341 4.703 4.340 0.038 0.000 0.361 100 R C 0.821 177.117 176.300 -0.006 0.000 1.072 100 R CA 0.037 56.132 56.100 -0.007 0.000 1.089 100 R CB 0.838 31.134 30.300 -0.006 0.000 1.343 100 R HN 0.452 nan 8.270 nan 0.000 0.571 101 G N 1.500 110.297 108.800 -0.006 0.000 2.613 101 G HA2 0.405 4.387 3.960 0.038 0.000 0.303 101 G HA3 0.405 4.387 3.960 0.038 0.000 0.303 101 G C -2.451 172.446 174.900 -0.004 0.000 1.312 101 G CA -1.115 43.983 45.100 -0.003 0.000 1.036 101 G HN -0.106 nan 8.290 nan 0.000 0.513 102 P HA 0.228 nan 4.420 nan 0.000 0.278 102 P C -0.228 177.071 177.300 -0.001 0.000 1.238 102 P CA -0.061 63.039 63.100 -0.001 0.000 0.794 102 P CB 0.962 32.663 31.700 0.002 0.000 0.955 103 T N 2.617 117.170 114.554 -0.002 0.000 2.907 103 T HA 0.272 4.644 4.350 0.038 0.000 0.298 103 T C 0.482 175.185 174.700 0.006 0.000 1.017 103 T CA -0.103 61.996 62.100 -0.002 0.000 1.118 103 T CB 0.020 68.884 68.868 -0.005 0.000 0.948 103 T HN 0.191 nan 8.240 nan 0.000 0.531 104 L N 3.464 124.693 121.223 0.009 0.000 2.343 104 L HA 0.333 4.696 4.340 0.038 0.000 0.275 104 L C 1.353 178.241 176.870 0.029 0.000 1.056 104 L CA -0.833 54.019 54.840 0.019 0.000 0.804 104 L CB 0.960 43.033 42.059 0.023 0.000 1.203 104 L HN 0.494 nan 8.230 nan 0.000 0.440 105 L N 2.215 123.459 121.223 0.034 0.000 2.131 105 L HA -0.191 4.172 4.340 0.038 0.000 0.210 105 L C 2.312 179.222 176.870 0.067 0.000 1.092 105 L CA 1.684 56.550 54.840 0.044 0.000 0.759 105 L CB -0.631 41.452 42.059 0.039 0.000 0.903 105 L HN 0.798 nan 8.230 nan 0.000 0.435 106 E N -1.458 118.786 120.200 0.073 0.000 2.516 106 E HA -0.177 4.196 4.350 0.038 0.000 0.199 106 E C 0.162 176.866 176.600 0.173 0.000 1.069 106 E CA 0.254 56.725 56.400 0.118 0.000 0.876 106 E CB -0.550 29.212 29.700 0.103 0.000 0.843 106 E HN 0.382 nan 8.360 nan 0.000 0.530 107 D N 1.130 121.588 120.400 0.097 0.000 2.455 107 D HA -0.034 4.628 4.640 0.038 0.000 0.234 107 D C 0.444 176.771 176.300 0.045 0.000 1.224 107 D CA -0.511 53.507 54.000 0.030 0.000 0.999 107 D CB -0.106 40.677 40.800 -0.029 0.000 1.072 107 D HN 0.287 nan 8.370 nan 0.000 0.514 108 F N 2.128 122.087 119.950 0.014 0.000 2.456 108 F HA 0.100 4.647 4.527 0.034 0.000 0.298 108 F C 1.623 177.436 175.800 0.021 0.000 1.104 108 F CA 0.122 58.133 58.000 0.019 0.000 1.435 108 F CB -0.623 38.388 39.000 0.018 0.000 1.078 108 F HN 0.182 nan 8.300 nan 0.000 0.546 109 I N 0.363 120.510 120.570 -0.705 0.000 2.286 109 I HA -0.188 4.005 4.170 0.038 0.000 0.245 109 I C 2.470 178.472 176.117 -0.191 0.000 1.104 109 I CA 0.958 61.968 61.300 -0.483 0.000 1.397 109 I CB -0.505 37.155 38.000 -0.567 0.000 1.072 109 I HN 0.263 nan 8.210 nan 0.000 0.417 110 L N 1.126 122.253 121.223 -0.160 0.000 1.989 110 L HA -0.218 4.145 4.340 0.038 0.000 0.211 110 L C 2.642 179.502 176.870 -0.016 0.000 1.071 110 L CA 1.938 56.733 54.840 -0.074 0.000 0.749 110 L CB -0.503 41.520 42.059 -0.060 0.000 0.890 110 L HN 0.055 nan 8.230 nan 0.000 0.431 111 R N -0.781 119.729 120.500 0.017 0.000 2.115 111 R HA -0.140 4.223 4.340 0.038 0.000 0.226 111 R C 2.287 178.642 176.300 0.091 0.000 1.100 111 R CA 1.258 57.396 56.100 0.063 0.000 0.980 111 R CB -0.317 30.035 30.300 0.086 0.000 0.875 111 R HN 0.570 nan 8.270 nan 0.000 0.445 112 E N 1.307 121.565 120.200 0.097 0.000 2.051 112 E HA -0.251 4.122 4.350 0.038 0.000 0.192 112 E C 1.899 178.575 176.600 0.125 0.000 0.991 112 E CA 1.310 57.786 56.400 0.126 0.000 0.799 112 E CB 0.106 29.886 29.700 0.133 0.000 0.748 112 E HN 0.141 nan 8.360 nan 0.000 0.449 113 K N 0.192 120.635 120.400 0.072 0.000 2.057 113 K HA -0.134 4.208 4.320 0.038 0.000 0.207 113 K C 2.112 178.781 176.600 0.116 0.000 1.049 113 K CA 1.258 57.586 56.287 0.069 0.000 0.931 113 K CB 0.001 32.499 32.500 -0.003 0.000 0.714 113 K HN 0.156 nan 8.250 nan 0.000 0.440 114 I N 1.190 121.809 120.570 0.083 0.000 2.353 114 I HA -0.157 4.036 4.170 0.038 0.000 0.248 114 I C 2.083 178.302 176.117 0.170 0.000 1.119 114 I CA 1.181 62.544 61.300 0.105 0.000 1.417 114 I CB -1.340 36.687 38.000 0.045 0.000 1.078 114 I HN 0.213 nan 8.210 nan 0.000 0.421 115 T N -0.150 114.498 114.554 0.157 0.000 2.684 115 T HA -0.234 4.139 4.350 0.038 0.000 0.267 115 T C 1.964 176.794 174.700 0.217 0.000 1.036 115 T CA 1.516 63.731 62.100 0.192 0.000 1.148 115 T CB -0.425 68.566 68.868 0.204 0.000 0.863 115 T HN 0.339 nan 8.240 nan 0.000 0.436 116 H N -0.119 119.043 119.070 0.153 0.000 2.321 116 H HA -0.061 4.515 4.556 0.032 0.000 0.300 116 H C 2.214 177.597 175.328 0.093 0.000 1.087 116 H CA 1.586 57.711 56.048 0.128 0.000 1.319 116 H CB -0.491 29.327 29.762 0.093 0.000 1.379 116 H HN 0.380 nan 8.280 nan 0.000 0.501 117 F N 2.218 122.228 119.950 0.100 0.000 2.091 117 F HA -0.247 4.217 4.527 -0.106 0.000 0.299 117 F C 2.000 177.739 175.800 -0.101 0.000 1.103 117 F CA 1.979 59.982 58.000 0.004 0.000 1.228 117 F CB -0.385 38.612 39.000 -0.005 0.000 0.984 117 F HN 0.098 nan 8.300 nan 0.000 0.477 118 D N -1.232 119.093 120.400 -0.126 0.000 2.311 118 D HA -0.155 4.508 4.640 0.038 0.000 0.212 118 D C 1.121 176.990 176.300 -0.719 0.000 0.972 118 D CA 1.258 54.996 54.000 -0.437 0.000 0.887 118 D CB -0.344 40.173 40.800 -0.471 0.000 0.915 118 D HN 0.505 nan 8.370 nan 0.000 0.497 119 H N -0.772 118.180 119.070 -0.197 0.000 2.575 119 H HA 0.223 4.866 4.556 0.145 0.000 0.256 119 H C 0.938 176.107 175.328 -0.265 0.000 1.162 119 H CA -0.159 55.770 56.048 -0.198 0.000 0.969 119 H CB 0.505 30.166 29.762 -0.169 0.000 1.796 119 H HN 0.232 nan 8.280 nan 0.000 0.607 120 E N 0.646 120.683 120.200 -0.272 0.000 2.150 120 E HA -0.038 4.335 4.350 0.038 0.000 0.193 120 E C 0.487 176.928 176.600 -0.266 0.000 0.985 120 E CA 0.578 56.791 56.400 -0.313 0.000 0.814 120 E CB 0.484 29.972 29.700 -0.354 0.000 0.752 120 E HN 0.139 nan 8.360 nan 0.000 0.466 121 R N 1.114 121.519 120.500 -0.158 0.000 2.410 121 R HA 0.374 4.737 4.340 0.038 0.000 0.288 121 R C 0.380 176.712 176.300 0.054 0.000 1.051 121 R CA -0.304 55.774 56.100 -0.037 0.000 1.021 121 R CB 0.743 31.016 30.300 -0.045 0.000 1.032 121 R HN 0.158 nan 8.270 nan 0.000 0.481 122 I N -1.071 119.594 120.570 0.157 0.000 2.846 122 I HA 0.581 4.774 4.170 0.038 0.000 0.307 122 I C -2.274 173.903 176.117 0.100 0.000 1.053 122 I CA -2.905 58.479 61.300 0.140 0.000 1.050 122 I CB 1.965 40.086 38.000 0.201 0.000 1.239 122 I HN 0.244 nan 8.210 nan 0.000 0.439 123 P HA 0.071 nan 4.420 nan 0.000 0.266 123 P C -0.851 176.479 177.300 0.050 0.000 1.195 123 P CA -0.010 63.116 63.100 0.043 0.000 0.768 123 P CB 0.408 32.121 31.700 0.023 0.000 0.838 124 E N 2.698 122.930 120.200 0.054 0.000 2.392 124 E HA 0.173 4.545 4.350 0.038 0.000 0.256 124 E C -0.450 176.178 176.600 0.046 0.000 1.145 124 E CA -0.817 55.620 56.400 0.062 0.000 0.929 124 E CB 0.597 30.340 29.700 0.072 0.000 0.998 124 E HN 0.258 nan 8.360 nan 0.000 0.442 125 R N 0.818 121.352 120.500 0.057 0.000 2.640 125 R HA -0.015 4.348 4.340 0.038 0.000 0.270 125 R C 1.292 177.628 176.300 0.061 0.000 1.024 125 R CA -0.434 55.697 56.100 0.052 0.000 1.085 125 R CB 0.243 30.594 30.300 0.085 0.000 0.963 125 R HN 0.575 nan 8.270 nan 0.000 0.426 126 I N 1.783 122.383 120.570 0.050 0.000 2.208 126 I HA -0.144 4.048 4.170 0.038 0.000 0.245 126 I C 1.216 177.388 176.117 0.093 0.000 1.097 126 I CA 1.540 62.880 61.300 0.066 0.000 1.363 126 I CB -1.051 36.994 38.000 0.075 0.000 1.051 126 I HN 0.408 nan 8.210 nan 0.000 0.413 127 V N -3.417 116.586 119.914 0.148 0.000 3.040 127 V HA 0.509 4.652 4.120 0.038 0.000 0.312 127 V C 0.351 176.621 176.094 0.294 0.000 1.115 127 V CA -0.883 61.534 62.300 0.195 0.000 0.998 127 V CB 1.791 33.802 31.823 0.314 0.000 1.042 127 V HN 0.431 nan 8.190 nan 0.000 0.433 128 H N 0.514 119.653 119.070 0.114 0.000 2.820 128 H HA -0.224 4.355 4.556 0.037 0.000 0.295 128 H C 1.512 176.892 175.328 0.086 0.000 1.187 128 H CA 0.776 56.884 56.048 0.100 0.000 1.144 128 H CB -1.194 28.616 29.762 0.080 0.000 1.354 128 H HN 1.165 nan 8.280 nan 0.000 0.395 129 A N 0.708 123.620 122.820 0.154 0.000 2.015 129 A HA -0.079 4.264 4.320 0.038 0.000 0.219 129 A C 1.652 179.331 177.584 0.157 0.000 1.163 129 A CA 1.192 53.310 52.037 0.135 0.000 0.646 129 A CB -0.033 19.024 19.000 0.095 0.000 0.806 129 A HN 0.279 nan 8.150 nan 0.000 0.448 130 R N 0.042 120.635 120.500 0.156 0.000 2.207 130 R HA 0.529 4.892 4.340 0.038 0.000 0.334 130 R C -0.161 176.272 176.300 0.221 0.000 1.013 130 R CA 0.695 56.907 56.100 0.185 0.000 0.858 130 R CB 0.491 30.883 30.300 0.153 0.000 1.094 130 R HN 0.306 nan 8.270 nan 0.000 0.457 131 G N 0.862 109.824 108.800 0.269 0.000 2.673 131 G HA2 0.507 4.490 3.960 0.038 0.000 0.292 131 G HA3 0.507 4.490 3.960 0.038 0.000 0.292 131 G C -1.648 173.422 174.900 0.283 0.000 1.450 131 G CA -0.616 44.610 45.100 0.210 0.000 0.837 131 G HN 0.513 nan 8.290 nan 0.000 0.505 132 S N -1.084 114.729 115.700 0.187 0.000 2.547 132 S HA 0.894 5.387 4.470 0.038 0.000 0.281 132 S C -0.250 174.373 174.600 0.038 0.000 1.118 132 S CA -0.157 58.210 58.200 0.279 0.000 0.947 132 S CB 1.796 65.272 63.200 0.461 0.000 1.053 132 S HN 1.662 nan 8.310 nan 0.000 0.482 133 A N 1.444 124.243 122.820 -0.035 0.000 2.498 133 A HA 1.010 5.352 4.320 0.038 0.000 0.298 133 A C -0.948 176.434 177.584 -0.337 0.000 1.075 133 A CA -0.734 51.054 52.037 -0.415 0.000 0.714 133 A CB 1.611 20.230 19.000 -0.635 0.000 1.299 133 A HN 1.316 nan 8.150 nan 0.000 0.407 134 A N 0.873 123.352 122.820 -0.569 0.000 2.572 134 A HA 0.736 5.079 4.320 0.038 0.000 0.295 134 A C -0.877 176.522 177.584 -0.309 0.000 1.072 134 A CA -0.659 51.207 52.037 -0.284 0.000 0.691 134 A CB 0.754 19.684 19.000 -0.117 0.000 1.291 134 A HN 0.888 nan 8.150 nan 0.000 0.404 135 H N -0.185 118.923 119.070 0.064 0.000 2.547 135 H HA 0.609 5.188 4.556 0.037 0.000 0.362 135 H C 0.676 176.014 175.328 0.017 0.000 1.181 135 H CA 1.081 57.219 56.048 0.150 0.000 1.376 135 H CB 1.665 31.506 29.762 0.132 0.000 1.488 135 H HN 1.088 nan 8.280 nan 0.000 0.583 136 G N 0.521 109.426 108.800 0.175 0.000 2.494 136 G HA2 0.376 4.359 3.960 0.038 0.000 0.308 136 G HA3 0.376 4.359 3.960 0.038 0.000 0.308 136 G C -2.045 173.000 174.900 0.242 0.000 1.263 136 G CA -0.687 44.485 45.100 0.120 0.000 0.840 136 G HN 0.642 nan 8.290 nan 0.000 0.479 137 Y N -1.832 118.510 120.300 0.070 0.000 2.625 137 Y HA 0.844 5.416 4.550 0.038 0.000 0.338 137 Y C -1.731 174.309 175.900 0.233 0.000 1.123 137 Y CA -1.904 56.282 58.100 0.144 0.000 1.046 137 Y CB 1.989 40.504 38.460 0.091 0.000 1.299 137 Y HN 0.818 nan 8.280 nan 0.000 0.464 138 F N 2.036 122.119 119.950 0.222 0.000 2.576 138 F HA 0.687 5.237 4.527 0.038 0.000 0.313 138 F C -1.317 174.662 175.800 0.298 0.000 1.078 138 F CA -0.602 57.531 58.000 0.222 0.000 0.921 138 F CB 2.414 41.698 39.000 0.474 0.000 1.232 138 F HN 0.802 nan 8.300 nan 0.000 0.459 139 Q N 6.707 125.948 119.800 -0.930 0.000 2.284 139 Q HA 0.475 4.837 4.340 0.038 0.000 0.269 139 Q C -3.014 172.357 176.000 -1.049 0.000 1.026 139 Q CA -2.315 53.116 55.803 -0.619 0.000 0.831 139 Q CB 3.166 31.815 28.738 -0.149 0.000 1.322 139 Q HN 0.369 nan 8.270 nan 0.000 0.419 140 P HA 0.069 nan 4.420 nan 0.000 0.277 140 P C -0.408 176.741 177.300 -0.252 0.000 1.240 140 P CA 0.030 62.885 63.100 -0.408 0.000 0.798 140 P CB 0.641 32.278 31.700 -0.104 0.000 0.979 141 Y N 0.895 121.134 120.300 -0.102 0.000 2.314 141 Y HA -0.088 4.485 4.550 0.038 0.000 0.293 141 Y C 1.553 177.425 175.900 -0.047 0.000 1.129 141 Y CA 0.629 58.690 58.100 -0.065 0.000 1.201 141 Y CB 0.166 38.594 38.460 -0.053 0.000 0.999 141 Y HN 0.372 nan 8.280 nan 0.000 0.541 142 K N -1.066 119.396 120.400 0.103 0.000 2.548 142 K HA 0.398 4.741 4.320 0.038 0.000 0.282 142 K C -0.905 175.697 176.600 0.004 0.000 1.006 142 K CA -0.966 55.348 56.287 0.045 0.000 0.892 142 K CB 1.528 34.055 32.500 0.045 0.000 1.499 142 K HN -0.241 nan 8.250 nan 0.000 0.433 143 S N 0.695 116.395 115.700 -0.001 0.000 2.533 143 S HA 0.141 4.634 4.470 0.038 0.000 0.282 143 S C 0.421 175.007 174.600 -0.024 0.000 1.304 143 S CA -0.630 57.559 58.200 -0.018 0.000 1.063 143 S CB -0.211 62.983 63.200 -0.010 0.000 0.881 143 S HN 0.548 nan 8.310 nan 0.000 0.493 144 L N 4.865 126.062 121.223 -0.044 0.000 2.848 144 L HA 0.133 4.495 4.340 0.038 0.000 0.240 144 L C 2.061 178.912 176.870 -0.032 0.000 1.232 144 L CA -0.009 54.812 54.840 -0.031 0.000 1.031 144 L CB -0.249 41.793 42.059 -0.028 0.000 1.338 144 L HN 0.881 nan 8.230 nan 0.000 0.509 145 S N -1.674 114.006 115.700 -0.033 0.000 2.419 145 S HA -0.187 4.306 4.470 0.038 0.000 0.233 145 S C 1.284 175.865 174.600 -0.031 0.000 1.016 145 S CA 1.099 59.278 58.200 -0.035 0.000 0.974 145 S CB -0.140 63.044 63.200 -0.026 0.000 0.786 145 S HN 0.406 nan 8.310 nan 0.000 0.492 146 D N 2.036 122.423 120.400 -0.022 0.000 2.218 146 D HA -0.012 4.651 4.640 0.038 0.000 0.204 146 D C 1.809 178.092 176.300 -0.030 0.000 0.976 146 D CA 1.475 55.463 54.000 -0.021 0.000 0.853 146 D CB -0.216 40.577 40.800 -0.012 0.000 0.939 146 D HN 0.823 nan 8.370 nan 0.000 0.481 147 I N -4.243 116.310 120.570 -0.028 0.000 4.312 147 I HA 0.221 4.414 4.170 0.038 0.000 0.324 147 I C 0.454 176.529 176.117 -0.069 0.000 1.298 147 I CA -0.043 61.233 61.300 -0.041 0.000 1.231 147 I CB 1.177 39.174 38.000 -0.006 0.000 1.152 147 I HN -0.251 nan 8.210 nan 0.000 0.421 148 T N 1.713 116.229 114.554 -0.064 0.000 2.956 148 T HA 0.317 4.690 4.350 0.038 0.000 0.312 148 T C -0.088 174.558 174.700 -0.089 0.000 1.151 148 T CA -0.713 61.330 62.100 -0.095 0.000 1.024 148 T CB 1.803 70.603 68.868 -0.112 0.000 1.140 148 T HN 0.417 nan 8.240 nan 0.000 0.473 149 K N 2.507 122.852 120.400 -0.091 0.000 2.437 149 K HA 0.553 4.896 4.320 0.038 0.000 0.198 149 K C 0.643 177.206 176.600 -0.061 0.000 1.024 149 K CA -0.383 55.863 56.287 -0.069 0.000 1.148 149 K CB 0.181 32.646 32.500 -0.059 0.000 0.860 149 K HN 0.478 nan 8.250 nan 0.000 0.515 150 A N 1.984 124.746 122.820 -0.095 0.000 2.491 150 A HA -0.027 4.316 4.320 0.038 0.000 0.261 150 A C 0.539 178.093 177.584 -0.050 0.000 1.101 150 A CA -0.061 51.935 52.037 -0.070 0.000 0.772 150 A CB 0.148 19.051 19.000 -0.162 0.000 1.043 150 A HN 0.479 nan 8.150 nan 0.000 0.501 151 D N 2.293 122.730 120.400 0.061 0.000 2.149 151 D HA -0.245 4.418 4.640 0.038 0.000 0.198 151 D C 1.390 177.758 176.300 0.114 0.000 0.990 151 D CA 2.274 56.322 54.000 0.080 0.000 0.839 151 D CB -0.261 40.609 40.800 0.116 0.000 0.948 151 D HN 0.743 nan 8.370 nan 0.000 0.460 152 F N -0.537 119.426 119.950 0.022 0.000 2.408 152 F HA 0.075 4.625 4.527 0.039 0.000 0.300 152 F C 1.087 176.962 175.800 0.125 0.000 1.090 152 F CA 0.528 58.577 58.000 0.082 0.000 1.427 152 F CB -0.242 38.798 39.000 0.067 0.000 1.070 152 F HN -0.044 nan 8.300 nan 0.000 0.549 153 L N 0.883 121.816 121.223 -0.483 0.000 2.910 153 L HA 0.204 4.567 4.340 0.038 0.000 0.252 153 L C 1.724 178.497 176.870 -0.162 0.000 1.195 153 L CA 0.288 54.890 54.840 -0.395 0.000 1.003 153 L CB -0.021 41.694 42.059 -0.574 0.000 1.328 153 L HN 0.315 nan 8.230 nan 0.000 0.540 154 S N -2.526 113.127 115.700 -0.079 0.000 2.524 154 S HA 0.071 4.564 4.470 0.038 0.000 0.216 154 S C 0.323 174.916 174.600 -0.011 0.000 0.987 154 S CA -0.154 58.023 58.200 -0.039 0.000 0.909 154 S CB 0.196 63.388 63.200 -0.013 0.000 0.781 154 S HN 0.351 nan 8.310 nan 0.000 0.521 155 D N 0.674 121.076 120.400 0.003 0.000 2.804 155 D HA 0.283 4.946 4.640 0.038 0.000 0.209 155 D C -2.565 173.748 176.300 0.022 0.000 1.314 155 D CA -1.633 52.378 54.000 0.017 0.000 0.894 155 D CB 2.007 42.825 40.800 0.030 0.000 1.615 155 D HN -0.155 nan 8.370 nan 0.000 0.571 156 P HA -0.083 nan 4.420 nan 0.000 0.225 156 P C 0.524 177.841 177.300 0.028 0.000 1.148 156 P CA 0.614 63.725 63.100 0.018 0.000 0.779 156 P CB 0.477 32.197 31.700 0.034 0.000 0.780 157 N N -0.243 118.478 118.700 0.035 0.000 2.463 157 N HA -0.021 4.741 4.740 0.038 0.000 0.181 157 N C 0.788 176.332 175.510 0.056 0.000 1.078 157 N CA 0.454 53.528 53.050 0.040 0.000 0.902 157 N CB -0.176 38.331 38.487 0.033 0.000 0.970 157 N HN 0.267 nan 8.380 nan 0.000 0.451 158 K N 1.516 121.959 120.400 0.071 0.000 2.349 158 K HA 0.139 4.482 4.320 0.038 0.000 0.289 158 K C -0.402 176.291 176.600 0.155 0.000 1.064 158 K CA -0.310 56.044 56.287 0.111 0.000 0.947 158 K CB 0.264 32.841 32.500 0.128 0.000 1.007 158 K HN 0.047 nan 8.250 nan 0.000 0.478 159 I N 1.694 122.359 120.570 0.158 0.000 2.377 159 I HA 0.299 4.492 4.170 0.038 0.000 0.293 159 I C -0.882 175.404 176.117 0.281 0.000 0.987 159 I CA 0.226 61.655 61.300 0.214 0.000 1.185 159 I CB 2.165 40.254 38.000 0.148 0.000 1.341 159 I HN 0.325 nan 8.210 nan 0.000 0.455 160 T N 8.065 122.869 114.554 0.417 0.000 2.791 160 T HA 0.493 4.865 4.350 0.038 0.000 0.288 160 T C -2.573 172.393 174.700 0.443 0.000 0.999 160 T CA -1.030 61.343 62.100 0.455 0.000 0.952 160 T CB 1.322 70.567 68.868 0.627 0.000 0.938 160 T HN 0.462 nan 8.240 nan 0.000 0.444 161 P HA 0.245 nan 4.420 nan 0.000 0.269 161 P C -0.641 176.905 177.300 0.410 0.000 1.209 161 P CA -0.377 62.922 63.100 0.330 0.000 0.776 161 P CB 0.580 32.402 31.700 0.204 0.000 0.876 162 V N -0.312 119.788 119.914 0.309 0.000 3.102 162 V HA 0.737 4.880 4.120 0.038 0.000 0.312 162 V C -1.309 174.949 176.094 0.273 0.000 1.135 162 V CA -0.915 61.478 62.300 0.154 0.000 1.022 162 V CB 2.270 33.972 31.823 -0.202 0.000 1.056 162 V HN 0.316 nan 8.190 nan 0.000 0.436 163 F N 1.470 121.403 119.950 -0.029 0.000 2.557 163 F HA 0.842 5.391 4.527 0.037 0.000 0.316 163 F C -0.996 174.709 175.800 -0.159 0.000 1.141 163 F CA -0.827 57.097 58.000 -0.126 0.000 0.922 163 F CB 1.973 40.930 39.000 -0.071 0.000 1.194 163 F HN 0.505 nan 8.300 nan 0.000 0.443 164 V N 6.672 126.109 119.914 -0.794 0.000 2.540 164 V HA 0.572 4.714 4.120 0.038 0.000 0.302 164 V C -0.677 174.744 176.094 -1.121 0.000 1.035 164 V CA -0.812 60.957 62.300 -0.886 0.000 0.873 164 V CB 1.975 33.204 31.823 -0.990 0.000 0.992 164 V HN 0.738 nan 8.190 nan 0.000 0.428 165 R N 3.642 123.475 120.500 -1.112 0.000 2.437 165 R HA 0.646 5.009 4.340 0.038 0.000 0.310 165 R C -1.586 174.107 176.300 -1.012 0.000 0.955 165 R CA -0.424 55.124 56.100 -0.920 0.000 0.851 165 R CB 1.203 31.118 30.300 -0.641 0.000 1.161 165 R HN 0.547 nan 8.270 nan 0.000 0.446 166 F N 1.761 121.288 119.950 -0.706 0.000 2.432 166 F HA 0.526 5.075 4.527 0.037 0.000 0.329 166 F C 0.417 175.870 175.800 -0.578 0.000 1.076 166 F CA -0.252 57.221 58.000 -0.879 0.000 1.018 166 F CB 2.171 40.133 39.000 -1.729 0.000 1.201 166 F HN 0.599 nan 8.300 nan 0.000 0.489 167 S N -1.117 114.519 115.700 -0.106 0.000 2.588 167 S HA 0.619 5.112 4.470 0.038 0.000 0.269 167 S C -0.588 174.153 174.600 0.235 0.000 1.157 167 S CA -0.924 57.354 58.200 0.129 0.000 0.824 167 S CB 1.325 64.650 63.200 0.207 0.000 1.126 167 S HN 0.722 nan 8.310 nan 0.000 0.464 168 T N -1.356 113.335 114.554 0.228 0.000 2.865 168 T HA 0.670 5.043 4.350 0.038 0.000 0.302 168 T C 0.813 175.485 174.700 -0.048 0.000 1.078 168 T CA -0.088 62.105 62.100 0.155 0.000 0.942 168 T CB 0.233 69.195 68.868 0.157 0.000 1.387 168 T HN 0.627 nan 8.240 nan 0.000 0.557 169 V N -0.231 119.609 119.914 -0.123 0.000 3.058 169 V HA 0.125 4.268 4.120 0.038 0.000 0.233 169 V C 2.722 178.741 176.094 -0.125 0.000 1.255 169 V CA 0.299 62.392 62.300 -0.344 0.000 1.267 169 V CB -0.188 31.532 31.823 -0.172 0.000 1.049 169 V HN 0.854 nan 8.190 nan 0.000 0.486 170 Q N 1.041 120.807 119.800 -0.057 0.000 2.062 170 Q HA 0.067 4.430 4.340 0.038 0.000 0.196 170 Q C 1.265 177.244 176.000 -0.036 0.000 0.967 170 Q CA 1.455 57.222 55.803 -0.059 0.000 0.832 170 Q CB -0.177 28.513 28.738 -0.081 0.000 0.899 170 Q HN 0.584 nan 8.270 nan 0.000 0.442 171 G N -0.291 108.501 108.800 -0.012 0.000 2.572 171 G HA2 0.424 4.407 3.960 0.038 0.000 0.261 171 G HA3 0.424 4.407 3.960 0.038 0.000 0.261 171 G C 0.061 174.969 174.900 0.013 0.000 1.197 171 G CA 0.033 45.129 45.100 -0.007 0.000 0.870 171 G HN 0.337 nan 8.290 nan 0.000 0.548 172 G N -1.273 107.530 108.800 0.006 0.000 2.653 172 G HA2 0.474 4.457 3.960 0.038 0.000 0.265 172 G HA3 0.474 4.457 3.960 0.038 0.000 0.265 172 G C 1.313 176.244 174.900 0.051 0.000 1.237 172 G CA 0.447 45.562 45.100 0.024 0.000 0.946 172 G HN 1.049 nan 8.290 nan 0.000 0.522 173 A N -0.752 122.109 122.820 0.068 0.000 2.019 173 A HA 0.142 4.485 4.320 0.038 0.000 0.219 173 A C 2.150 179.775 177.584 0.067 0.000 1.164 173 A CA 1.933 54.031 52.037 0.102 0.000 0.644 173 A CB -0.332 18.744 19.000 0.127 0.000 0.805 173 A HN 1.141 nan 8.150 nan 0.000 0.449 174 G N -0.080 108.740 108.800 0.033 0.000 3.523 174 G HA2 0.353 4.336 3.960 0.038 0.000 0.270 174 G HA3 0.353 4.336 3.960 0.038 0.000 0.270 174 G C 0.627 175.528 174.900 0.002 0.000 1.134 174 G CA 0.629 45.733 45.100 0.006 0.000 0.825 174 G HN 0.642 nan 8.290 nan 0.000 0.534 175 S N -0.167 115.542 115.700 0.016 0.000 2.641 175 S HA 0.722 5.215 4.470 0.038 0.000 0.261 175 S C 0.513 175.126 174.600 0.022 0.000 1.257 175 S CA -0.027 58.179 58.200 0.010 0.000 0.983 175 S CB 1.544 64.751 63.200 0.012 0.000 0.990 175 S HN 0.604 nan 8.310 nan 0.000 0.572 176 A N 0.208 123.036 122.820 0.013 0.000 2.302 176 A HA 0.440 4.783 4.320 0.038 0.000 0.285 176 A C 0.599 178.202 177.584 0.031 0.000 1.105 176 A CA -0.611 51.430 52.037 0.007 0.000 0.816 176 A CB -0.001 18.986 19.000 -0.022 0.000 1.067 176 A HN 0.866 nan 8.150 nan 0.000 0.489 177 D N 0.575 120.983 120.400 0.013 0.000 2.137 177 D HA -0.067 4.596 4.640 0.038 0.000 0.202 177 D C 1.670 177.938 176.300 -0.054 0.000 0.970 177 D CA 2.251 56.269 54.000 0.029 0.000 0.837 177 D CB -0.183 40.589 40.800 -0.047 0.000 0.981 177 D HN 0.677 nan 8.370 nan 0.000 0.475 178 T N -0.243 114.204 114.554 -0.178 0.000 3.330 178 T HA 0.263 4.635 4.350 0.038 0.000 0.249 178 T C 0.879 175.559 174.700 -0.032 0.000 0.980 178 T CA -0.541 61.443 62.100 -0.194 0.000 0.920 178 T CB -0.969 67.709 68.868 -0.317 0.000 1.065 178 T HN -0.071 nan 8.240 nan 0.000 0.588 179 V N -1.150 118.794 119.914 0.051 0.000 3.237 179 V HA 0.370 4.513 4.120 0.038 0.000 0.305 179 V C 0.746 176.983 176.094 0.238 0.000 1.096 179 V CA -1.324 61.059 62.300 0.140 0.000 1.130 179 V CB 0.278 32.173 31.823 0.119 0.000 1.048 179 V HN 0.558 nan 8.190 nan 0.000 0.484 180 R N 1.790 122.494 120.500 0.341 0.000 2.248 180 R HA 0.437 4.800 4.340 0.038 0.000 0.328 180 R C -0.925 175.459 176.300 0.140 0.000 1.067 180 R CA -0.051 56.196 56.100 0.244 0.000 0.924 180 R CB 0.068 30.447 30.300 0.132 0.000 1.013 180 R HN 1.058 nan 8.270 nan 0.000 0.454 181 D N 3.351 123.846 120.400 0.157 0.000 2.710 181 D HA 0.187 4.850 4.640 0.038 0.000 0.276 181 D C -0.536 175.883 176.300 0.198 0.000 1.267 181 D CA -0.624 53.459 54.000 0.139 0.000 0.772 181 D CB 1.237 42.109 40.800 0.119 0.000 1.299 181 D HN 0.221 nan 8.370 nan 0.000 0.421 182 I N 1.374 122.080 120.570 0.228 0.000 2.836 182 I HA 0.193 4.386 4.170 0.038 0.000 0.285 182 I C 0.857 177.119 176.117 0.242 0.000 1.174 182 I CA 0.014 61.463 61.300 0.249 0.000 1.405 182 I CB 0.011 38.199 38.000 0.313 0.000 1.385 182 I HN 0.243 nan 8.210 nan 0.000 0.594 183 R N 2.940 123.603 120.500 0.272 0.000 2.589 183 R HA 0.573 4.935 4.340 0.038 0.000 0.293 183 R C -0.039 176.450 176.300 0.316 0.000 0.963 183 R CA -0.741 55.533 56.100 0.290 0.000 0.905 183 R CB 1.426 31.914 30.300 0.313 0.000 1.144 183 R HN 0.799 nan 8.270 nan 0.000 0.459 184 G N 0.741 109.743 108.800 0.336 0.000 2.451 184 G HA2 0.509 4.491 3.960 0.038 0.000 0.303 184 G HA3 0.509 4.491 3.960 0.038 0.000 0.303 184 G C -1.288 173.690 174.900 0.129 0.000 1.166 184 G CA -0.089 45.179 45.100 0.279 0.000 0.884 184 G HN 0.362 nan 8.290 nan 0.000 0.514 185 F N 1.443 121.289 119.950 -0.173 0.000 3.090 185 F HA 0.616 5.165 4.527 0.038 0.000 0.381 185 F C -0.196 175.306 175.800 -0.497 0.000 1.231 185 F CA -1.748 56.045 58.000 -0.346 0.000 1.177 185 F CB 0.887 39.793 39.000 -0.157 0.000 1.598 185 F HN 0.664 nan 8.300 nan 0.000 0.589 186 A N 3.107 125.656 122.820 -0.452 0.000 2.288 186 A HA 0.781 5.124 4.320 0.038 0.000 0.320 186 A C -0.511 176.618 177.584 -0.759 0.000 1.217 186 A CA -0.403 51.199 52.037 -0.725 0.000 0.840 186 A CB 0.725 18.966 19.000 -1.265 0.000 1.179 186 A HN 0.512 nan 8.150 nan 0.000 0.504 187 T N 2.401 116.669 114.554 -0.476 0.000 2.809 187 T HA 0.358 4.731 4.350 0.038 0.000 0.284 187 T C -0.298 174.193 174.700 -0.348 0.000 0.992 187 T CA -0.467 61.350 62.100 -0.472 0.000 0.957 187 T CB 1.024 69.519 68.868 -0.622 0.000 0.942 187 T HN 0.623 nan 8.240 nan 0.000 0.439 188 K N 3.624 123.919 120.400 -0.174 0.000 2.267 188 K HA 0.401 4.744 4.320 0.038 0.000 0.282 188 K C -1.169 175.100 176.600 -0.551 0.000 1.078 188 K CA -0.540 55.543 56.287 -0.339 0.000 0.903 188 K CB 0.201 32.441 32.500 -0.433 0.000 1.111 188 K HN 0.401 nan 8.250 nan 0.000 0.475 189 F N 4.131 123.796 119.950 -0.476 0.000 2.411 189 F HA 0.215 4.765 4.527 0.038 0.000 0.355 189 F C -0.302 175.293 175.800 -0.342 0.000 1.117 189 F CA -0.562 57.227 58.000 -0.352 0.000 1.139 189 F CB 0.654 39.359 39.000 -0.492 0.000 1.120 189 F HN 0.429 nan 8.300 nan 0.000 0.493 190 Y N 1.810 122.177 120.300 0.112 0.000 2.714 190 Y HA 0.220 4.793 4.550 0.037 0.000 0.333 190 Y C 0.979 176.941 175.900 0.102 0.000 1.220 190 Y CA -0.888 57.255 58.100 0.073 0.000 1.513 190 Y CB -0.102 38.391 38.460 0.054 0.000 1.435 190 Y HN 0.549 nan 8.280 nan 0.000 0.489 191 T N -2.297 112.355 114.554 0.163 0.000 2.874 191 T HA 0.159 4.532 4.350 0.038 0.000 0.281 191 T C 0.961 175.753 174.700 0.155 0.000 0.994 191 T CA -0.701 61.497 62.100 0.163 0.000 1.015 191 T CB 1.063 69.993 68.868 0.103 0.000 1.028 191 T HN 0.657 nan 8.240 nan 0.000 0.523 192 E N 0.176 120.471 120.200 0.158 0.000 2.478 192 E HA -0.037 4.336 4.350 0.038 0.000 0.198 192 E C 0.936 177.602 176.600 0.109 0.000 1.046 192 E CA 0.643 57.119 56.400 0.126 0.000 0.870 192 E CB 0.115 29.885 29.700 0.117 0.000 0.818 192 E HN 0.740 nan 8.360 nan 0.000 0.527 193 E N 0.126 120.392 120.200 0.110 0.000 2.734 193 E HA 0.264 4.636 4.350 0.038 0.000 0.211 193 E C 0.138 176.785 176.600 0.078 0.000 0.991 193 E CA -0.233 56.224 56.400 0.095 0.000 1.065 193 E CB 1.355 31.114 29.700 0.098 0.000 1.047 193 E HN 0.181 nan 8.360 nan 0.000 0.470 194 G N 1.206 110.047 108.800 0.069 0.000 2.392 194 G HA2 -0.106 3.876 3.960 0.038 0.000 0.677 194 G HA3 -0.106 3.876 3.960 0.038 0.000 0.677 194 G C -0.853 174.055 174.900 0.014 0.000 1.334 194 G CA -1.136 43.983 45.100 0.031 0.000 0.961 194 G HN 0.031 nan 8.290 nan 0.000 0.616 195 I N 0.726 121.269 120.570 -0.045 0.000 2.598 195 I HA 0.289 4.482 4.170 0.038 0.000 0.284 195 I C 0.118 176.243 176.117 0.014 0.000 1.140 195 I CA 0.266 61.511 61.300 -0.090 0.000 1.420 195 I CB 0.476 38.353 38.000 -0.205 0.000 1.387 195 I HN 0.455 nan 8.210 nan 0.000 0.553 196 F N 7.032 126.875 119.950 -0.178 0.000 2.427 196 F HA 0.437 4.987 4.527 0.039 0.000 0.348 196 F C -0.554 175.215 175.800 -0.052 0.000 1.125 196 F CA -1.190 56.705 58.000 -0.175 0.000 0.989 196 F CB 0.768 39.508 39.000 -0.433 0.000 1.165 196 F HN 0.338 nan 8.300 nan 0.000 0.442 197 D N 6.937 127.137 120.400 -0.333 0.000 2.329 197 D HA 0.231 4.893 4.640 0.038 0.000 0.232 197 D C -0.590 175.257 176.300 -0.754 0.000 1.088 197 D CA 0.022 53.782 54.000 -0.400 0.000 0.835 197 D CB 2.222 42.978 40.800 -0.074 0.000 1.078 197 D HN 0.642 nan 8.370 nan 0.000 0.495 198 L N 3.370 124.095 121.223 -0.831 0.000 2.287 198 L HA 0.276 4.639 4.340 0.038 0.000 0.280 198 L C -0.950 175.701 176.870 -0.365 0.000 1.055 198 L CA -0.578 53.861 54.840 -0.668 0.000 0.863 198 L CB 0.537 42.186 42.059 -0.684 0.000 1.245 198 L HN 0.044 nan 8.230 nan 0.000 0.432 199 V N 5.552 125.295 119.914 -0.285 0.000 2.247 199 V HA 0.465 4.608 4.120 0.038 0.000 0.262 199 V C 0.847 176.855 176.094 -0.144 0.000 1.096 199 V CA -0.277 61.869 62.300 -0.255 0.000 0.895 199 V CB 0.496 32.132 31.823 -0.312 0.000 1.141 199 V HN 0.820 nan 8.190 nan 0.000 0.478 200 G N 3.140 111.870 108.800 -0.118 0.000 2.820 200 G HA2 0.659 4.641 3.960 0.038 0.000 0.291 200 G HA3 0.659 4.641 3.960 0.038 0.000 0.291 200 G C -0.852 174.086 174.900 0.065 0.000 1.323 200 G CA -0.597 44.492 45.100 -0.018 0.000 1.055 200 G HN 0.480 nan 8.290 nan 0.000 0.520 201 N N -1.052 117.734 118.700 0.144 0.000 2.761 201 N HA 0.256 5.019 4.740 0.038 0.000 0.283 201 N C 0.290 175.989 175.510 0.315 0.000 1.377 201 N CA -0.772 52.417 53.050 0.232 0.000 0.791 201 N CB 1.421 40.032 38.487 0.206 0.000 1.540 201 N HN 0.517 nan 8.380 nan 0.000 0.539 202 N N -1.445 117.456 118.700 0.334 0.000 2.268 202 N HA 0.001 4.763 4.740 0.038 0.000 0.204 202 N C -0.401 175.388 175.510 0.466 0.000 1.124 202 N CA -0.112 53.189 53.050 0.420 0.000 0.838 202 N CB -0.151 38.554 38.487 0.364 0.000 0.994 202 N HN 0.548 nan 8.380 nan 0.000 0.489 203 T N -3.452 111.207 114.554 0.175 0.000 2.916 203 T HA 0.471 4.844 4.350 0.038 0.000 0.292 203 T C -2.535 171.595 174.700 -0.949 0.000 1.055 203 T CA -1.693 60.074 62.100 -0.556 0.000 1.009 203 T CB 3.001 71.418 68.868 -0.752 0.000 1.118 203 T HN -0.246 nan 8.240 nan 0.000 0.497 204 P HA 0.208 nan 4.420 nan 0.000 0.249 204 P C 0.459 177.265 177.300 -0.824 0.000 1.229 204 P CA 0.075 62.334 63.100 -1.402 0.000 0.788 204 P CB -0.078 30.763 31.700 -1.432 0.000 1.072 205 I N -4.533 115.528 120.570 -0.848 0.000 3.343 205 I HA 0.566 4.759 4.170 0.038 0.000 0.315 205 I C -1.405 174.460 176.117 -0.420 0.000 1.153 205 I CA -1.894 59.056 61.300 -0.584 0.000 0.952 205 I CB 1.449 39.068 38.000 -0.635 0.000 1.287 205 I HN -0.241 nan 8.210 nan 0.000 0.472 206 F N 0.060 119.731 119.950 -0.464 0.000 2.618 206 F HA 0.514 5.063 4.527 0.038 0.000 0.332 206 F C 0.323 175.866 175.800 -0.428 0.000 1.061 206 F CA -0.738 57.017 58.000 -0.409 0.000 0.974 206 F CB 1.949 40.849 39.000 -0.166 0.000 1.310 206 F HN 0.380 nan 8.300 nan 0.000 0.491 207 F N 2.228 121.347 119.950 -1.384 0.000 2.234 207 F HA 0.017 4.567 4.527 0.038 0.000 0.299 207 F C 0.732 176.236 175.800 -0.493 0.000 1.087 207 F CA 0.897 58.314 58.000 -0.971 0.000 1.340 207 F CB -0.243 37.807 39.000 -1.585 0.000 1.031 207 F HN 0.143 nan 8.300 nan 0.000 0.500 208 I N -3.225 117.318 120.570 -0.044 0.000 2.892 208 I HA 0.373 4.566 4.170 0.038 0.000 0.306 208 I C 0.444 176.722 176.117 0.268 0.000 1.078 208 I CA -0.829 60.572 61.300 0.168 0.000 1.032 208 I CB 1.928 40.088 38.000 0.268 0.000 1.229 208 I HN -0.154 nan 8.210 nan 0.000 0.435 209 Q N 0.472 120.424 119.800 0.254 0.000 2.259 209 Q HA 0.116 4.479 4.340 0.038 0.000 0.201 209 Q C -0.223 175.957 176.000 0.301 0.000 0.938 209 Q CA 0.751 56.743 55.803 0.316 0.000 0.872 209 Q CB 0.394 29.381 28.738 0.414 0.000 0.971 209 Q HN 0.651 nan 8.270 nan 0.000 0.494 210 D N -1.177 119.371 120.400 0.246 0.000 2.375 210 D HA 0.297 4.960 4.640 0.038 0.000 0.247 210 D C 0.053 176.482 176.300 0.215 0.000 1.061 210 D CA -0.175 53.939 54.000 0.189 0.000 0.834 210 D CB 1.826 42.712 40.800 0.143 0.000 1.247 210 D HN 0.062 nan 8.370 nan 0.000 0.489 211 A N 3.459 126.376 122.820 0.162 0.000 2.032 211 A HA -0.257 4.086 4.320 0.038 0.000 0.221 211 A C 1.811 179.520 177.584 0.209 0.000 1.165 211 A CA 1.780 53.910 52.037 0.155 0.000 0.645 211 A CB -0.788 18.246 19.000 0.057 0.000 0.807 211 A HN 0.823 nan 8.150 nan 0.000 0.453 212 H N 0.051 119.184 119.070 0.105 0.000 2.457 212 H HA -0.046 4.533 4.556 0.038 0.000 0.297 212 H C 1.679 177.088 175.328 0.136 0.000 1.092 212 H CA 1.984 58.086 56.048 0.090 0.000 1.309 212 H CB 0.027 29.817 29.762 0.047 0.000 1.382 212 H HN 0.435 nan 8.280 nan 0.000 0.535 213 K N -0.699 119.825 120.400 0.207 0.000 2.459 213 K HA -0.059 4.284 4.320 0.038 0.000 0.193 213 K C 1.577 178.315 176.600 0.229 0.000 1.030 213 K CA 0.205 56.614 56.287 0.204 0.000 1.026 213 K CB -0.012 32.663 32.500 0.292 0.000 0.809 213 K HN 0.296 nan 8.250 nan 0.000 0.504 214 F N 2.841 122.851 119.950 0.100 0.000 2.126 214 F HA -0.149 4.400 4.527 0.037 0.000 0.299 214 F C -1.058 174.766 175.800 0.040 0.000 1.096 214 F CA 1.298 59.384 58.000 0.144 0.000 1.255 214 F CB -0.408 38.658 39.000 0.110 0.000 0.997 214 F HN 0.022 nan 8.300 nan 0.000 0.479 215 P HA -0.112 nan 4.420 nan 0.000 0.221 215 P C 0.985 177.978 177.300 -0.511 0.000 1.150 215 P CA 1.532 64.407 63.100 -0.375 0.000 0.800 215 P CB -0.019 31.473 31.700 -0.348 0.000 0.787 216 D N -1.230 119.017 120.400 -0.255 0.000 2.084 216 D HA -0.139 4.524 4.640 0.038 0.000 0.196 216 D C 1.779 177.824 176.300 -0.426 0.000 0.985 216 D CA 1.027 54.922 54.000 -0.174 0.000 0.826 216 D CB -0.843 40.021 40.800 0.107 0.000 0.978 216 D HN 0.140 nan 8.370 nan 0.000 0.456 217 F N 1.915 121.474 119.950 -0.652 0.000 2.095 217 F HA -0.235 4.315 4.527 0.038 0.000 0.298 217 F C 2.255 177.670 175.800 -0.641 0.000 1.104 217 F CA 1.199 58.596 58.000 -1.006 0.000 1.232 217 F CB -0.233 38.411 39.000 -0.593 0.000 0.987 217 F HN -0.248 nan 8.300 nan 0.000 0.475 218 V N 0.408 119.932 119.914 -0.650 0.000 2.343 218 V HA -0.347 3.795 4.120 0.038 0.000 0.247 218 V C 2.318 178.208 176.094 -0.341 0.000 1.051 218 V CA 2.456 64.408 62.300 -0.579 0.000 1.036 218 V CB -1.091 30.410 31.823 -0.537 0.000 0.654 218 V HN 0.479 nan 8.190 nan 0.000 0.451 219 H N -0.224 118.627 119.070 -0.365 0.000 2.352 219 H HA -0.182 4.397 4.556 0.038 0.000 0.299 219 H C 2.340 177.522 175.328 -0.244 0.000 1.097 219 H CA 1.160 57.070 56.048 -0.231 0.000 1.311 219 H CB 0.006 29.680 29.762 -0.147 0.000 1.377 219 H HN 0.490 nan 8.280 nan 0.000 0.504 220 A N 0.398 123.053 122.820 -0.275 0.000 1.902 220 A HA -0.126 4.217 4.320 0.038 0.000 0.217 220 A C 2.533 179.962 177.584 -0.258 0.000 1.181 220 A CA 1.532 53.392 52.037 -0.295 0.000 0.623 220 A CB -0.759 17.928 19.000 -0.523 0.000 0.818 220 A HN 0.308 nan 8.150 nan 0.000 0.443 221 V N -0.134 119.501 119.914 -0.464 0.000 2.649 221 V HA -0.008 4.135 4.120 0.038 0.000 0.248 221 V C 0.938 176.990 176.094 -0.069 0.000 1.054 221 V CA 0.767 62.869 62.300 -0.329 0.000 1.073 221 V CB -0.489 30.936 31.823 -0.663 0.000 0.699 221 V HN 0.361 nan 8.190 nan 0.000 0.463 222 K N 1.058 121.384 120.400 -0.124 0.000 2.234 222 K HA 0.171 4.514 4.320 0.038 0.000 0.251 222 K C -2.260 174.292 176.600 -0.079 0.000 1.011 222 K CA -1.344 54.889 56.287 -0.090 0.000 0.889 222 K CB -0.440 31.999 32.500 -0.101 0.000 1.011 222 K HN 0.196 nan 8.250 nan 0.000 0.505 223 P HA 0.006 nan 4.420 nan 0.000 0.268 223 P C -0.540 176.699 177.300 -0.101 0.000 1.205 223 P CA 0.301 63.270 63.100 -0.219 0.000 0.771 223 P CB 0.395 31.972 31.700 -0.205 0.000 0.858 224 E N 4.893 125.078 120.200 -0.025 0.000 2.398 224 E HA -0.009 4.364 4.350 0.038 0.000 0.263 224 E C -1.277 175.387 176.600 0.106 0.000 1.046 224 E CA -1.248 55.236 56.400 0.141 0.000 0.908 224 E CB 0.165 30.066 29.700 0.335 0.000 0.963 224 E HN 0.423 nan 8.360 nan 0.000 0.431 225 P HA -0.179 nan 4.420 nan 0.000 0.225 225 P C 0.960 178.326 177.300 0.110 0.000 1.156 225 P CA 1.249 64.382 63.100 0.055 0.000 0.787 225 P CB 0.066 31.777 31.700 0.018 0.000 0.802 226 H N -0.594 118.513 119.070 0.062 0.000 2.299 226 H HA -0.076 4.503 4.556 0.039 0.000 0.302 226 H C 1.390 176.820 175.328 0.170 0.000 1.078 226 H CA 1.447 57.520 56.048 0.042 0.000 1.323 226 H CB -1.297 28.418 29.762 -0.078 0.000 1.381 226 H HN 0.290 nan 8.280 nan 0.000 0.498 227 W N -0.125 120.832 121.300 -0.571 0.000 2.870 227 W HA 0.704 5.387 4.660 0.038 0.000 0.358 227 W C 0.471 176.828 176.519 -0.271 0.000 1.043 227 W CA -1.247 55.880 57.345 -0.363 0.000 1.692 227 W CB -0.788 28.441 29.460 -0.386 0.000 1.100 227 W HN 0.442 nan 8.180 nan 0.000 0.557 228 A N 1.358 124.162 122.820 -0.027 0.000 2.610 228 A HA -0.150 4.193 4.320 0.038 0.000 0.299 228 A C -0.358 176.995 177.584 -0.385 0.000 1.487 228 A CA 1.470 53.409 52.037 -0.163 0.000 0.743 228 A CB -2.390 16.539 19.000 -0.119 0.000 1.070 228 A HN 0.467 nan 8.150 nan 0.000 0.439 229 I N 0.495 120.687 120.570 -0.630 0.000 2.730 229 I HA 0.547 4.740 4.170 0.038 0.000 0.298 229 I C -2.437 173.362 176.117 -0.529 0.000 1.089 229 I CA -2.434 58.389 61.300 -0.794 0.000 1.041 229 I CB 2.927 39.932 38.000 -1.659 0.000 1.235 229 I HN 0.217 nan 8.210 nan 0.000 0.423 230 P HA 0.297 nan 4.420 nan 0.000 0.292 230 P C -1.539 175.595 177.300 -0.278 0.000 1.300 230 P CA -0.799 62.078 63.100 -0.373 0.000 0.900 230 P CB 1.674 33.227 31.700 -0.245 0.000 1.139 231 Q N 0.876 120.559 119.800 -0.195 0.000 2.267 231 Q HA 0.490 4.853 4.340 0.038 0.000 0.255 231 Q C 1.109 177.067 176.000 -0.072 0.000 0.923 231 Q CA 1.000 56.726 55.803 -0.129 0.000 0.925 231 Q CB -0.240 28.432 28.738 -0.109 0.000 1.195 231 Q HN 0.825 nan 8.270 nan 0.000 0.417 232 G N 3.165 111.933 108.800 -0.053 0.000 2.160 232 G HA2 -0.284 3.699 3.960 0.038 0.000 0.251 232 G HA3 -0.284 3.699 3.960 0.038 0.000 0.251 232 G C -0.357 174.553 174.900 0.016 0.000 1.008 232 G CA 0.487 45.582 45.100 -0.008 0.000 0.724 232 G HN 0.539 nan 8.290 nan 0.000 0.514 233 Q N -0.970 118.825 119.800 -0.009 0.000 2.315 233 Q HA 0.567 4.930 4.340 0.038 0.000 0.273 233 Q C 0.712 176.713 176.000 0.003 0.000 1.053 233 Q CA -0.133 55.690 55.803 0.034 0.000 0.817 233 Q CB 1.836 30.634 28.738 0.101 0.000 1.326 233 Q HN 0.429 nan 8.270 nan 0.000 0.423 234 S N -0.607 114.998 115.700 -0.158 0.000 2.556 234 S HA 0.224 4.716 4.470 0.038 0.000 0.216 234 S C 0.844 175.354 174.600 -0.150 0.000 0.970 234 S CA -0.079 57.786 58.200 -0.558 0.000 0.912 234 S CB 0.381 62.669 63.200 -1.519 0.000 0.790 234 S HN 0.587 nan 8.310 nan 0.000 0.504 235 A N 2.322 125.266 122.820 0.208 0.000 3.063 235 A HA 0.534 4.877 4.320 0.038 0.000 0.263 235 A C 0.116 177.935 177.584 0.393 0.000 1.736 235 A CA -0.611 51.634 52.037 0.346 0.000 1.408 235 A CB -1.168 17.972 19.000 0.234 0.000 1.108 235 A HN 0.881 nan 8.150 nan 0.000 0.621 236 H N -3.754 115.495 119.070 0.299 0.000 2.990 236 H HA 0.518 5.097 4.556 0.039 0.000 0.336 236 H C -0.194 175.327 175.328 0.322 0.000 1.306 236 H CA -0.776 55.424 56.048 0.253 0.000 1.118 236 H CB 0.295 30.164 29.762 0.179 0.000 1.856 236 H HN 0.054 nan 8.280 nan 0.000 0.538 237 D N 0.069 120.644 120.400 0.293 0.000 2.133 237 D HA -0.204 4.459 4.640 0.038 0.000 0.195 237 D C 2.063 178.427 176.300 0.106 0.000 0.997 237 D CA 3.078 57.185 54.000 0.178 0.000 0.840 237 D CB -0.289 40.595 40.800 0.139 0.000 0.947 237 D HN 0.769 nan 8.370 nan 0.000 0.452 238 T N -1.988 112.614 114.554 0.080 0.000 2.904 238 T HA -0.126 4.246 4.350 0.038 0.000 0.267 238 T C 1.881 176.517 174.700 -0.107 0.000 1.059 238 T CA 0.386 62.505 62.100 0.032 0.000 1.137 238 T CB -0.619 68.314 68.868 0.109 0.000 0.879 238 T HN 0.138 nan 8.240 nan 0.000 0.467 239 F N 0.903 120.536 119.950 -0.529 0.000 2.075 239 F HA 0.090 4.640 4.527 0.038 0.000 0.297 239 F C 1.805 177.323 175.800 -0.471 0.000 1.113 239 F CA 0.735 58.340 58.000 -0.658 0.000 1.218 239 F CB -0.572 37.837 39.000 -0.985 0.000 0.984 239 F HN 0.136 nan 8.300 nan 0.000 0.472 240 W N 0.606 121.864 121.300 -0.070 0.000 2.425 240 W HA -0.093 4.590 4.660 0.038 0.000 0.277 240 W C 2.270 178.720 176.519 -0.114 0.000 1.231 240 W CA 0.998 58.287 57.345 -0.094 0.000 1.248 240 W CB -0.589 28.895 29.460 0.040 0.000 1.117 240 W HN 0.079 nan 8.180 nan 0.000 0.568 241 D N -0.574 119.867 120.400 0.067 0.000 2.078 241 D HA -0.293 4.370 4.640 0.038 0.000 0.193 241 D C 1.894 178.197 176.300 0.005 0.000 0.990 241 D CA 1.511 55.537 54.000 0.043 0.000 0.827 241 D CB -0.632 40.202 40.800 0.058 0.000 0.975 241 D HN 0.172 nan 8.370 nan 0.000 0.451 242 Y N 0.505 120.694 120.300 -0.185 0.000 2.114 242 Y HA -0.248 4.326 4.550 0.039 0.000 0.282 242 Y C 2.285 178.048 175.900 -0.229 0.000 1.165 242 Y CA 1.710 59.686 58.100 -0.206 0.000 1.148 242 Y CB -0.461 37.834 38.460 -0.274 0.000 0.972 242 Y HN -0.094 nan 8.280 nan 0.000 0.504 243 V N 0.053 119.856 119.914 -0.184 0.000 2.287 243 V HA -0.343 3.800 4.120 0.038 0.000 0.248 243 V C 2.613 178.657 176.094 -0.083 0.000 1.053 243 V CA 2.220 64.402 62.300 -0.197 0.000 1.027 243 V CB -1.238 30.366 31.823 -0.366 0.000 0.646 243 V HN 0.670 nan 8.190 nan 0.000 0.447 244 S N -0.069 115.626 115.700 -0.009 0.000 2.419 244 S HA -0.102 4.391 4.470 0.038 0.000 0.233 244 S C 1.721 176.293 174.600 -0.046 0.000 1.016 244 S CA 1.514 59.731 58.200 0.029 0.000 0.974 244 S CB -0.502 62.742 63.200 0.073 0.000 0.786 244 S HN 0.562 nan 8.310 nan 0.000 0.492 245 L N -0.045 121.101 121.223 -0.128 0.000 2.585 245 L HA 0.319 4.682 4.340 0.038 0.000 0.226 245 L C 0.541 177.241 176.870 -0.283 0.000 1.113 245 L CA 0.129 54.864 54.840 -0.175 0.000 0.876 245 L CB 0.018 41.973 42.059 -0.173 0.000 1.072 245 L HN 0.254 nan 8.230 nan 0.000 0.468 246 Q N 0.128 119.721 119.800 -0.344 0.000 3.090 246 Q HA 0.234 4.596 4.340 0.038 0.000 0.241 246 Q C -1.982 173.803 176.000 -0.359 0.000 0.958 246 Q CA -1.411 54.142 55.803 -0.417 0.000 0.715 246 Q CB 1.571 29.939 28.738 -0.617 0.000 1.298 246 Q HN -0.027 nan 8.270 nan 0.000 0.468 247 P HA -0.211 nan 4.420 nan 0.000 0.225 247 P C 1.055 178.062 177.300 -0.488 0.000 1.148 247 P CA 1.091 63.942 63.100 -0.415 0.000 0.779 247 P CB 0.244 31.652 31.700 -0.487 0.000 0.780 248 E N 0.586 120.355 120.200 -0.718 0.000 2.273 248 E HA -0.191 4.182 4.350 0.038 0.000 0.198 248 E C 1.333 177.882 176.600 -0.085 0.000 1.002 248 E CA 1.853 58.070 56.400 -0.305 0.000 0.828 248 E CB -1.304 28.293 29.700 -0.172 0.000 0.747 248 E HN 0.290 nan 8.360 nan 0.000 0.491 249 T N -0.702 113.809 114.554 -0.073 0.000 3.072 249 T HA 0.026 4.399 4.350 0.038 0.000 0.266 249 T C 1.916 176.683 174.700 0.112 0.000 1.127 249 T CA 0.431 62.560 62.100 0.049 0.000 1.107 249 T CB -0.273 68.662 68.868 0.113 0.000 0.910 249 T HN 0.147 nan 8.240 nan 0.000 0.513 250 L N -0.090 121.201 121.223 0.114 0.000 2.141 250 L HA -0.008 4.355 4.340 0.038 0.000 0.209 250 L C 2.838 179.871 176.870 0.271 0.000 1.094 250 L CA 1.474 56.455 54.840 0.235 0.000 0.763 250 L CB -0.761 41.449 42.059 0.252 0.000 0.908 250 L HN 0.450 nan 8.230 nan 0.000 0.437 251 H N 0.229 119.336 119.070 0.063 0.000 2.270 251 H HA -0.208 4.370 4.556 0.038 0.000 0.299 251 H C 2.128 177.439 175.328 -0.029 0.000 1.077 251 H CA 1.832 57.912 56.048 0.052 0.000 1.294 251 H CB 0.218 29.977 29.762 -0.006 0.000 1.371 251 H HN 0.359 nan 8.280 nan 0.000 0.491 252 N N -0.116 118.379 118.700 -0.342 0.000 2.309 252 N HA -0.129 4.633 4.740 0.038 0.000 0.182 252 N C 1.926 177.245 175.510 -0.318 0.000 1.018 252 N CA 0.735 53.366 53.050 -0.698 0.000 0.876 252 N CB 0.267 37.846 38.487 -1.513 0.000 0.972 252 N HN 0.126 nan 8.380 nan 0.000 0.434 253 V N 1.626 121.576 119.914 0.059 0.000 2.343 253 V HA -0.245 3.898 4.120 0.038 0.000 0.247 253 V C 2.482 178.713 176.094 0.227 0.000 1.051 253 V CA 1.186 63.684 62.300 0.329 0.000 1.036 253 V CB -0.362 31.723 31.823 0.437 0.000 0.654 253 V HN 0.393 nan 8.190 nan 0.000 0.451 254 M N -1.513 118.255 119.600 0.280 0.000 2.082 254 M HA -0.245 4.258 4.480 0.038 0.000 0.258 254 M C 2.067 178.370 176.300 0.004 0.000 1.069 254 M CA 2.023 57.484 55.300 0.268 0.000 1.102 254 M CB -1.251 31.525 32.600 0.293 0.000 1.336 254 M HN 0.475 nan 8.290 nan 0.000 0.404 255 W N 0.305 121.359 121.300 -0.409 0.000 2.381 255 W HA -0.053 4.629 4.660 0.038 0.000 0.301 255 W C 2.811 179.273 176.519 -0.095 0.000 1.205 255 W CA 1.803 58.886 57.345 -0.436 0.000 1.285 255 W CB -0.925 28.207 29.460 -0.547 0.000 1.133 255 W HN 0.289 nan 8.180 nan 0.000 0.521 256 A N -0.652 122.262 122.820 0.157 0.000 1.972 256 A HA -0.178 4.165 4.320 0.038 0.000 0.219 256 A C 1.922 179.563 177.584 0.094 0.000 1.169 256 A CA 1.615 53.747 52.037 0.159 0.000 0.635 256 A CB -0.565 18.570 19.000 0.224 0.000 0.810 256 A HN 0.104 nan 8.150 nan 0.000 0.446 257 M N 0.634 120.246 119.600 0.021 0.000 2.492 257 M HA 0.020 4.523 4.480 0.038 0.000 0.262 257 M C 1.439 177.783 176.300 0.073 0.000 1.090 257 M CA 0.786 56.035 55.300 -0.084 0.000 1.110 257 M CB -1.318 30.968 32.600 -0.522 0.000 1.407 257 M HN 0.543 nan 8.290 nan 0.000 0.470 258 S N 0.227 116.030 115.700 0.171 0.000 2.634 258 S HA 0.092 4.585 4.470 0.038 0.000 0.261 258 S C 0.740 175.470 174.600 0.218 0.000 1.271 258 S CA -0.454 57.885 58.200 0.231 0.000 0.985 258 S CB 0.993 64.369 63.200 0.294 0.000 0.968 258 S HN 0.174 nan 8.310 nan 0.000 0.568 259 D N 0.224 120.772 120.400 0.247 0.000 2.350 259 D HA 0.007 4.670 4.640 0.038 0.000 0.216 259 D C 1.889 178.340 176.300 0.250 0.000 0.968 259 D CA 0.385 54.555 54.000 0.283 0.000 0.894 259 D CB -0.160 40.876 40.800 0.392 0.000 0.909 259 D HN 0.397 nan 8.370 nan 0.000 0.520 260 R N 0.218 120.857 120.500 0.231 0.000 2.159 260 R HA -0.072 4.291 4.340 0.038 0.000 0.237 260 R C 2.050 178.514 176.300 0.273 0.000 1.131 260 R CA 1.039 57.302 56.100 0.271 0.000 0.982 260 R CB -0.790 29.734 30.300 0.374 0.000 0.868 260 R HN 0.181 nan 8.270 nan 0.000 0.453 261 G N 1.216 110.163 108.800 0.245 0.000 2.744 261 G HA2 -0.011 3.972 3.960 0.038 0.000 0.211 261 G HA3 -0.011 3.972 3.960 0.038 0.000 0.211 261 G C 1.013 176.060 174.900 0.245 0.000 1.143 261 G CA 0.056 45.293 45.100 0.228 0.000 0.788 261 G HN 0.411 nan 8.290 nan 0.000 0.534 262 I N -2.062 118.663 120.570 0.258 0.000 2.948 262 I HA 0.354 4.547 4.170 0.038 0.000 0.308 262 I C -2.910 173.368 176.117 0.268 0.000 1.478 262 I CA -2.550 58.908 61.300 0.264 0.000 0.843 262 I CB 1.643 39.802 38.000 0.266 0.000 2.100 262 I HN -0.265 nan 8.210 nan 0.000 0.625 263 P HA 0.092 nan 4.420 nan 0.000 0.269 263 P C 0.624 178.080 177.300 0.259 0.000 1.215 263 P CA -0.186 63.036 63.100 0.204 0.000 0.780 263 P CB 1.039 32.796 31.700 0.095 0.000 0.898 264 R N 1.374 121.999 120.500 0.209 0.000 2.115 264 R HA 0.047 4.410 4.340 0.038 0.000 0.230 264 R C 0.294 176.726 176.300 0.220 0.000 1.111 264 R CA 1.417 57.682 56.100 0.275 0.000 0.976 264 R CB -0.288 30.146 30.300 0.223 0.000 0.870 264 R HN 0.509 nan 8.270 nan 0.000 0.445 265 S N -2.607 113.012 115.700 -0.134 0.000 2.558 265 S HA 0.210 4.703 4.470 0.038 0.000 0.277 265 S C -0.424 173.850 174.600 -0.544 0.000 1.143 265 S CA -0.882 57.078 58.200 -0.401 0.000 0.865 265 S CB 0.180 63.279 63.200 -0.169 0.000 1.102 265 S HN 0.117 nan 8.310 nan 0.000 0.454 266 Y N 2.459 122.363 120.300 -0.660 0.000 2.315 266 Y HA 0.024 4.596 4.550 0.037 0.000 0.288 266 Y C 2.342 177.887 175.900 -0.592 0.000 1.154 266 Y CA 1.220 58.812 58.100 -0.846 0.000 1.229 266 Y CB -0.324 37.249 38.460 -1.477 0.000 0.980 266 Y HN 0.583 nan 8.280 nan 0.000 0.540 267 R N -0.538 119.830 120.500 -0.221 0.000 2.235 267 R HA -0.039 4.324 4.340 0.038 0.000 0.213 267 R C 0.954 177.209 176.300 -0.075 0.000 1.059 267 R CA 1.486 57.512 56.100 -0.124 0.000 0.997 267 R CB -0.342 29.878 30.300 -0.132 0.000 0.884 267 R HN 0.338 nan 8.270 nan 0.000 0.462 268 T N -2.122 112.405 114.554 -0.045 0.000 3.448 268 T HA 0.345 4.717 4.350 0.038 0.000 0.271 268 T C 0.078 174.813 174.700 0.058 0.000 1.002 268 T CA -0.710 61.390 62.100 0.001 0.000 0.995 268 T CB -0.026 68.827 68.868 -0.026 0.000 1.153 268 T HN 0.066 nan 8.240 nan 0.000 0.510 269 M N -0.942 118.734 119.600 0.126 0.000 2.619 269 M HA 0.733 5.236 4.480 0.038 0.000 0.297 269 M C -1.146 175.325 176.300 0.285 0.000 1.229 269 M CA -0.832 54.583 55.300 0.192 0.000 0.860 269 M CB 2.154 34.864 32.600 0.185 0.000 1.741 269 M HN -0.116 nan 8.290 nan 0.000 0.462 270 E N 0.619 120.982 120.200 0.272 0.000 2.371 270 E HA 0.601 4.974 4.350 0.038 0.000 0.257 270 E C -0.164 176.501 176.600 0.109 0.000 1.134 270 E CA -0.434 56.060 56.400 0.156 0.000 0.919 270 E CB 1.330 31.040 29.700 0.017 0.000 1.025 270 E HN 0.848 nan 8.360 nan 0.000 0.438 271 G N 0.778 109.495 108.800 -0.137 0.000 2.519 271 G HA2 0.634 4.617 3.960 0.038 0.000 0.307 271 G HA3 0.634 4.617 3.960 0.038 0.000 0.307 271 G C -1.443 173.019 174.900 -0.732 0.000 1.266 271 G CA -0.498 44.505 45.100 -0.162 0.000 0.970 271 G HN 0.290 nan 8.290 nan 0.000 0.481 272 F N -0.682 119.232 119.950 -0.059 0.000 2.601 272 F HA 0.508 5.058 4.527 0.038 0.000 0.309 272 F C 1.046 176.766 175.800 -0.134 0.000 1.089 272 F CA -0.580 57.299 58.000 -0.202 0.000 0.940 272 F CB 2.491 41.320 39.000 -0.285 0.000 1.273 272 F HN 0.600 nan 8.300 nan 0.000 0.450 273 G N -0.480 108.383 108.800 0.105 0.000 2.920 273 G HA2 0.167 4.150 3.960 0.038 0.000 0.208 273 G HA3 0.167 4.150 3.960 0.038 0.000 0.208 273 G C 0.745 175.721 174.900 0.128 0.000 1.159 273 G CA 0.661 45.877 45.100 0.193 0.000 0.784 273 G HN 1.016 nan 8.290 nan 0.000 0.535 274 C N -1.370 117.896 119.300 -0.057 0.000 5.885 274 C HA -0.174 4.309 4.460 0.038 0.000 0.328 274 C C 0.823 175.519 174.990 -0.489 0.000 2.430 274 C CA 0.776 59.583 59.018 -0.352 0.000 2.194 274 C CB -1.926 25.489 27.740 -0.540 0.000 3.233 274 C HN 0.606 nan 8.230 nan 0.000 0.263 275 H N 0.446 119.573 119.070 0.096 0.000 2.616 275 H HA 0.471 5.049 4.556 0.038 0.000 0.353 275 H C -0.059 175.270 175.328 0.002 0.000 1.170 275 H CA 0.121 56.151 56.048 -0.030 0.000 1.212 275 H CB 0.709 30.322 29.762 -0.248 0.000 1.653 275 H HN 0.347 nan 8.280 nan 0.000 0.537 276 T N 3.131 117.707 114.554 0.037 0.000 2.817 276 T HA 0.153 4.525 4.350 0.038 0.000 0.295 276 T C 0.215 174.900 174.700 -0.024 0.000 0.958 276 T CA 0.393 62.501 62.100 0.013 0.000 1.157 276 T CB -0.415 68.413 68.868 -0.066 0.000 0.898 276 T HN 0.224 nan 8.240 nan 0.000 0.536 277 F N 1.336 121.246 119.950 -0.068 0.000 2.629 277 F HA 0.661 5.211 4.527 0.038 0.000 0.386 277 F C 1.059 176.811 175.800 -0.080 0.000 1.135 277 F CA -1.402 56.581 58.000 -0.028 0.000 1.116 277 F CB 1.370 40.339 39.000 -0.052 0.000 1.426 277 F HN 0.196 nan 8.300 nan 0.000 0.501 278 R N 0.485 121.044 120.500 0.098 0.000 2.740 278 R HA 0.621 4.984 4.340 0.038 0.000 0.282 278 R C -1.569 174.617 176.300 -0.190 0.000 0.969 278 R CA -0.848 55.170 56.100 -0.137 0.000 0.918 278 R CB 1.930 32.076 30.300 -0.256 0.000 1.175 278 R HN 0.416 nan 8.270 nan 0.000 0.464 279 L N 3.252 124.314 121.223 -0.269 0.000 2.343 279 L HA 0.523 4.886 4.340 0.038 0.000 0.275 279 L C -0.385 176.322 176.870 -0.270 0.000 1.056 279 L CA -0.859 53.829 54.840 -0.254 0.000 0.804 279 L CB 1.080 42.992 42.059 -0.245 0.000 1.203 279 L HN 0.361 nan 8.230 nan 0.000 0.440 280 I N 2.524 122.958 120.570 -0.226 0.000 2.447 280 I HA 0.246 4.439 4.170 0.038 0.000 0.287 280 I C -0.299 175.724 176.117 -0.157 0.000 1.023 280 I CA -0.730 60.436 61.300 -0.223 0.000 1.083 280 I CB 1.381 39.255 38.000 -0.210 0.000 1.245 280 I HN 0.637 nan 8.210 nan 0.000 0.434 281 N N 5.002 123.622 118.700 -0.133 0.000 2.405 281 N HA 0.370 5.133 4.740 0.038 0.000 0.269 281 N C 0.916 176.381 175.510 -0.075 0.000 1.249 281 N CA -0.219 52.775 53.050 -0.093 0.000 0.974 281 N CB 0.593 39.034 38.487 -0.076 0.000 1.204 281 N HN 0.516 nan 8.380 nan 0.000 0.565 282 A N -0.517 122.269 122.820 -0.057 0.000 1.972 282 A HA -0.133 4.210 4.320 0.038 0.000 0.219 282 A C 1.522 179.084 177.584 -0.038 0.000 1.169 282 A CA 1.169 53.180 52.037 -0.045 0.000 0.635 282 A CB -0.662 18.319 19.000 -0.033 0.000 0.810 282 A HN 0.693 nan 8.150 nan 0.000 0.446 283 E N -1.081 119.097 120.200 -0.036 0.000 2.478 283 E HA 0.102 4.475 4.350 0.038 0.000 0.198 283 E C 1.378 177.966 176.600 -0.021 0.000 1.046 283 E CA 0.747 57.131 56.400 -0.026 0.000 0.870 283 E CB -0.514 29.171 29.700 -0.024 0.000 0.818 283 E HN 0.865 nan 8.360 nan 0.000 0.527 284 G N 1.479 110.263 108.800 -0.028 0.000 2.175 284 G HA2 -0.322 3.661 3.960 0.038 0.000 0.244 284 G HA3 -0.322 3.661 3.960 0.038 0.000 0.244 284 G C 0.363 175.271 174.900 0.014 0.000 0.982 284 G CA 0.323 45.425 45.100 0.005 0.000 0.641 284 G HN 0.313 nan 8.290 nan 0.000 0.527 285 K N 0.932 121.301 120.400 -0.052 0.000 2.322 285 K HA 0.671 5.014 4.320 0.038 0.000 0.283 285 K C 0.535 176.988 176.600 -0.245 0.000 1.042 285 K CA 0.234 56.463 56.287 -0.097 0.000 0.958 285 K CB 0.635 33.084 32.500 -0.086 0.000 0.984 285 K HN 0.594 nan 8.250 nan 0.000 0.473 286 A N 3.376 125.938 122.820 -0.429 0.000 2.305 286 A HA 0.447 4.790 4.320 0.038 0.000 0.322 286 A C -0.786 176.475 177.584 -0.537 0.000 1.187 286 A CA -0.525 51.096 52.037 -0.695 0.000 0.825 286 A CB 1.164 19.290 19.000 -1.456 0.000 1.164 286 A HN 0.729 nan 8.150 nan 0.000 0.498 287 T N 2.139 116.416 114.554 -0.462 0.000 2.861 287 T HA 0.550 4.922 4.350 0.038 0.000 0.287 287 T C -0.625 173.841 174.700 -0.390 0.000 1.003 287 T CA -0.107 61.772 62.100 -0.368 0.000 0.977 287 T CB 0.557 69.307 68.868 -0.197 0.000 0.996 287 T HN 0.340 nan 8.240 nan 0.000 0.448 288 F N 1.871 121.733 119.950 -0.146 0.000 2.471 288 F HA 0.516 5.065 4.527 0.038 0.000 0.353 288 F C 0.554 176.248 175.800 -0.175 0.000 1.113 288 F CA -0.405 57.508 58.000 -0.145 0.000 1.262 288 F CB 0.678 39.617 39.000 -0.103 0.000 1.146 288 F HN 0.177 nan 8.300 nan 0.000 0.578 289 V N 4.832 124.720 119.914 -0.043 0.000 2.760 289 V HA 0.586 4.729 4.120 0.038 0.000 0.309 289 V C -0.932 174.955 176.094 -0.346 0.000 1.077 289 V CA -0.733 61.395 62.300 -0.288 0.000 0.910 289 V CB 1.922 33.359 31.823 -0.643 0.000 1.008 289 V HN 0.774 nan 8.190 nan 0.000 0.424 290 R N 4.966 125.317 120.500 -0.249 0.000 2.562 290 R HA 0.579 4.942 4.340 0.038 0.000 0.298 290 R C -1.583 174.642 176.300 -0.125 0.000 0.961 290 R CA -0.483 55.483 56.100 -0.224 0.000 0.881 290 R CB 2.036 32.330 30.300 -0.010 0.000 1.159 290 R HN 0.586 nan 8.270 nan 0.000 0.450 291 F N 2.014 122.005 119.950 0.069 0.000 2.385 291 F HA 0.360 4.910 4.527 0.038 0.000 0.336 291 F C 0.924 176.667 175.800 -0.095 0.000 1.100 291 F CA -0.153 57.859 58.000 0.020 0.000 1.116 291 F CB 0.894 39.790 39.000 -0.173 0.000 1.166 291 F HN 0.203 nan 8.300 nan 0.000 0.511 292 H N 0.975 120.059 119.070 0.024 0.000 2.717 292 H HA 0.242 4.821 4.556 0.038 0.000 0.366 292 H C -1.539 173.578 175.328 -0.351 0.000 1.132 292 H CA -0.963 55.003 56.048 -0.136 0.000 1.180 292 H CB 1.900 31.664 29.762 0.004 0.000 1.678 292 H HN 0.666 nan 8.280 nan 0.000 0.537 293 W N 2.351 123.547 121.300 -0.173 0.000 2.532 293 W HA 0.326 5.009 4.660 0.038 0.000 0.321 293 W C -0.010 176.546 176.519 0.061 0.000 1.037 293 W CA -0.759 56.541 57.345 -0.075 0.000 1.220 293 W CB 1.651 30.911 29.460 -0.334 0.000 1.361 293 W HN 0.280 nan 8.180 nan 0.000 0.468 294 K N 5.750 126.419 120.400 0.448 0.000 2.240 294 K HA 0.371 4.714 4.320 0.038 0.000 0.271 294 K C -2.379 174.447 176.600 0.377 0.000 1.018 294 K CA -1.935 54.553 56.287 0.334 0.000 0.874 294 K CB 1.325 33.971 32.500 0.244 0.000 1.098 294 K HN 0.043 nan 8.250 nan 0.000 0.458 295 P HA 0.031 nan 4.420 nan 0.000 0.276 295 P C 0.322 177.627 177.300 0.008 0.000 1.253 295 P CA -0.024 63.137 63.100 0.101 0.000 0.766 295 P CB 0.744 32.521 31.700 0.129 0.000 0.845 296 L N 2.725 123.898 121.223 -0.084 0.000 2.395 296 L HA -0.037 4.326 4.340 0.038 0.000 0.218 296 L C 2.172 179.020 176.870 -0.036 0.000 1.130 296 L CA 0.952 55.780 54.840 -0.020 0.000 0.826 296 L CB -0.535 41.521 42.059 -0.005 0.000 0.941 296 L HN 0.346 nan 8.230 nan 0.000 0.451 297 A N 0.117 122.887 122.820 -0.084 0.000 2.238 297 A HA 0.389 4.732 4.320 0.038 0.000 0.208 297 A C 1.280 178.856 177.584 -0.013 0.000 1.177 297 A CA 0.692 52.697 52.037 -0.052 0.000 0.804 297 A CB -0.463 18.488 19.000 -0.083 0.000 0.823 297 A HN 0.459 nan 8.150 nan 0.000 0.482 298 G N -0.689 108.116 108.800 0.009 0.000 2.756 298 G HA2 -0.147 3.835 3.960 0.038 0.000 0.678 298 G HA3 -0.147 3.835 3.960 0.038 0.000 0.678 298 G C -0.604 174.319 174.900 0.039 0.000 1.349 298 G CA -0.360 44.764 45.100 0.040 0.000 0.847 298 G HN 0.484 nan 8.290 nan 0.000 0.548 299 K N 0.124 120.552 120.400 0.046 0.000 2.183 299 K HA 0.731 5.074 4.320 0.038 0.000 0.274 299 K C 0.201 176.785 176.600 -0.027 0.000 1.009 299 K CA 0.210 56.508 56.287 0.018 0.000 0.888 299 K CB 1.788 34.287 32.500 -0.002 0.000 1.078 299 K HN 1.489 nan 8.250 nan 0.000 0.459 300 A N 1.693 124.486 122.820 -0.045 0.000 2.555 300 A HA 0.580 4.922 4.320 0.038 0.000 0.297 300 A C -1.167 176.457 177.584 0.067 0.000 1.060 300 A CA -0.675 51.295 52.037 -0.113 0.000 0.710 300 A CB 1.691 20.395 19.000 -0.495 0.000 1.282 300 A HN 0.505 nan 8.150 nan 0.000 0.399 301 S N 0.560 116.468 115.700 0.346 0.000 2.632 301 S HA 0.763 5.256 4.470 0.038 0.000 0.289 301 S C 0.018 174.934 174.600 0.528 0.000 1.115 301 S CA -0.612 57.824 58.200 0.392 0.000 0.889 301 S CB 1.184 64.603 63.200 0.364 0.000 1.116 301 S HN 0.651 nan 8.310 nan 0.000 0.486 302 L N 1.276 122.706 121.223 0.345 0.000 2.505 302 L HA 0.511 4.874 4.340 0.038 0.000 0.226 302 L C 0.134 177.131 176.870 0.211 0.000 1.211 302 L CA -0.713 54.256 54.840 0.215 0.000 0.828 302 L CB 0.077 42.168 42.059 0.054 0.000 1.331 302 L HN 0.489 nan 8.230 nan 0.000 0.513 303 V N -3.160 116.774 119.914 0.034 0.000 2.850 303 V HA 0.181 4.324 4.120 0.038 0.000 0.315 303 V C 0.630 176.663 176.094 -0.101 0.000 1.064 303 V CA -0.789 61.495 62.300 -0.027 0.000 0.979 303 V CB 1.610 33.386 31.823 -0.078 0.000 1.039 303 V HN 0.929 nan 8.190 nan 0.000 0.452 304 W N 1.774 122.936 121.300 -0.230 0.000 2.335 304 W HA -0.201 4.482 4.660 0.037 0.000 0.311 304 W C 1.773 178.129 176.519 -0.272 0.000 1.213 304 W CA 2.473 59.676 57.345 -0.237 0.000 1.274 304 W CB -0.076 29.225 29.460 -0.265 0.000 1.148 304 W HN 1.004 nan 8.180 nan 0.000 0.498 305 D N 0.238 120.349 120.400 -0.483 0.000 2.144 305 D HA -0.289 4.373 4.640 0.038 0.000 0.199 305 D C 2.133 178.077 176.300 -0.593 0.000 0.984 305 D CA 2.087 55.772 54.000 -0.525 0.000 0.834 305 D CB -0.418 40.314 40.800 -0.113 0.000 0.955 305 D HN 0.384 nan 8.370 nan 0.000 0.465 306 E N -0.433 119.295 120.200 -0.787 0.000 2.047 306 E HA -0.171 4.202 4.350 0.038 0.000 0.191 306 E C 2.041 178.297 176.600 -0.573 0.000 0.987 306 E CA 0.967 56.844 56.400 -0.871 0.000 0.799 306 E CB -0.222 28.875 29.700 -1.004 0.000 0.752 306 E HN 0.299 nan 8.360 nan 0.000 0.449 307 A N 1.189 123.695 122.820 -0.522 0.000 1.902 307 A HA -0.264 4.079 4.320 0.038 0.000 0.217 307 A C 2.186 179.437 177.584 -0.556 0.000 1.181 307 A CA 1.822 53.599 52.037 -0.433 0.000 0.623 307 A CB -0.700 18.163 19.000 -0.230 0.000 0.818 307 A HN 0.451 nan 8.150 nan 0.000 0.443 308 Q N -0.569 118.695 119.800 -0.893 0.000 2.079 308 Q HA -0.177 4.185 4.340 0.038 0.000 0.200 308 Q C 2.186 177.909 176.000 -0.462 0.000 0.974 308 Q CA 1.773 57.066 55.803 -0.850 0.000 0.840 308 Q CB -0.144 27.816 28.738 -1.297 0.000 0.898 308 Q HN 0.661 nan 8.270 nan 0.000 0.430 309 K N 0.036 120.185 120.400 -0.418 0.000 2.148 309 K HA -0.139 4.204 4.320 0.038 0.000 0.204 309 K C 2.082 178.539 176.600 -0.239 0.000 1.050 309 K CA 0.636 56.768 56.287 -0.258 0.000 0.942 309 K CB -0.030 32.356 32.500 -0.189 0.000 0.724 309 K HN 0.176 nan 8.250 nan 0.000 0.446 310 L N 1.489 122.527 121.223 -0.309 0.000 2.131 310 L HA -0.155 4.208 4.340 0.038 0.000 0.210 310 L C 2.263 178.991 176.870 -0.235 0.000 1.092 310 L CA 2.259 56.912 54.840 -0.312 0.000 0.759 310 L CB -1.014 40.769 42.059 -0.460 0.000 0.903 310 L HN 0.340 nan 8.230 nan 0.000 0.435 311 T N -4.053 110.367 114.554 -0.223 0.000 2.803 311 T HA -0.116 4.257 4.350 0.038 0.000 0.269 311 T C 1.903 176.537 174.700 -0.110 0.000 1.052 311 T CA 1.126 63.138 62.100 -0.148 0.000 1.136 311 T CB -1.159 67.632 68.868 -0.127 0.000 0.864 311 T HN 0.389 nan 8.240 nan 0.000 0.467 312 G N 1.423 110.152 108.800 -0.119 0.000 2.404 312 G HA2 -0.057 3.926 3.960 0.038 0.000 0.213 312 G HA3 -0.057 3.926 3.960 0.038 0.000 0.213 312 G C 1.913 176.767 174.900 -0.076 0.000 1.189 312 G CA -0.065 44.982 45.100 -0.088 0.000 0.796 312 G HN 0.348 nan 8.290 nan 0.000 0.532 313 R N 0.335 120.780 120.500 -0.092 0.000 2.115 313 R HA 0.025 4.388 4.340 0.038 0.000 0.230 313 R C -0.107 176.163 176.300 -0.050 0.000 1.111 313 R CA 0.903 56.962 56.100 -0.069 0.000 0.976 313 R CB -0.284 29.967 30.300 -0.081 0.000 0.870 313 R HN 0.356 nan 8.270 nan 0.000 0.445 314 D N -0.638 119.725 120.400 -0.061 0.000 2.445 314 D HA 0.136 4.799 4.640 0.038 0.000 0.236 314 D C -2.174 174.121 176.300 -0.008 0.000 1.315 314 D CA -1.714 52.282 54.000 -0.006 0.000 0.924 314 D CB 1.383 42.224 40.800 0.068 0.000 1.447 314 D HN -0.147 nan 8.370 nan 0.000 0.532 315 P HA 0.031 nan 4.420 nan 0.000 0.234 315 P C 0.064 177.367 177.300 0.005 0.000 1.167 315 P CA 0.544 63.629 63.100 -0.025 0.000 0.763 315 P CB 0.510 32.193 31.700 -0.028 0.000 0.835 316 D N -1.398 119.019 120.400 0.027 0.000 2.388 316 D HA 0.071 4.734 4.640 0.038 0.000 0.221 316 D C 1.213 177.559 176.300 0.076 0.000 1.133 316 D CA -0.400 53.624 54.000 0.040 0.000 0.831 316 D CB -0.524 40.277 40.800 0.003 0.000 0.962 316 D HN 0.134 nan 8.370 nan 0.000 0.502 317 F N 1.176 121.069 119.950 -0.094 0.000 2.126 317 F HA -0.220 4.330 4.527 0.037 0.000 0.299 317 F C 2.060 177.839 175.800 -0.036 0.000 1.096 317 F CA 1.815 59.760 58.000 -0.092 0.000 1.255 317 F CB 0.071 38.965 39.000 -0.176 0.000 0.997 317 F HN 0.100 nan 8.300 nan 0.000 0.479 318 H N -1.141 117.853 119.070 -0.126 0.000 2.395 318 H HA -0.073 4.506 4.556 0.038 0.000 0.299 318 H C 2.365 177.581 175.328 -0.188 0.000 1.070 318 H CA 0.821 56.627 56.048 -0.403 0.000 1.356 318 H CB -0.078 29.275 29.762 -0.681 0.000 1.401 318 H HN 0.182 nan 8.280 nan 0.000 0.524 319 R N 1.276 121.869 120.500 0.155 0.000 2.081 319 R HA -0.129 4.234 4.340 0.038 0.000 0.235 319 R C 2.429 178.833 176.300 0.174 0.000 1.131 319 R CA 1.276 57.522 56.100 0.244 0.000 0.960 319 R CB -0.023 30.407 30.300 0.217 0.000 0.856 319 R HN 0.199 nan 8.270 nan 0.000 0.436 320 R N 0.321 120.847 120.500 0.043 0.000 2.073 320 R HA -0.139 4.224 4.340 0.038 0.000 0.234 320 R C 2.131 178.427 176.300 -0.008 0.000 1.134 320 R CA 1.637 57.743 56.100 0.010 0.000 0.952 320 R CB -0.200 30.076 30.300 -0.041 0.000 0.850 320 R HN 0.267 nan 8.270 nan 0.000 0.433 321 E N 0.647 120.735 120.200 -0.187 0.000 2.047 321 E HA -0.200 4.173 4.350 0.038 0.000 0.191 321 E C 2.050 178.615 176.600 -0.059 0.000 0.987 321 E CA 1.081 57.338 56.400 -0.238 0.000 0.799 321 E CB -0.120 29.265 29.700 -0.525 0.000 0.752 321 E HN 0.240 nan 8.360 nan 0.000 0.449 322 L N 1.086 122.313 121.223 0.006 0.000 1.990 322 L HA -0.200 4.162 4.340 0.038 0.000 0.213 322 L C 2.245 179.222 176.870 0.179 0.000 1.072 322 L CA 2.001 56.906 54.840 0.109 0.000 0.755 322 L CB -0.921 41.267 42.059 0.215 0.000 0.889 322 L HN 0.351 nan 8.230 nan 0.000 0.432 323 W N 0.781 122.117 121.300 0.061 0.000 2.358 323 W HA -0.190 4.493 4.660 0.039 0.000 0.303 323 W C 2.264 178.814 176.519 0.051 0.000 1.208 323 W CA 2.039 59.433 57.345 0.081 0.000 1.274 323 W CB -0.163 29.350 29.460 0.089 0.000 1.138 323 W HN 0.358 nan 8.180 nan 0.000 0.515 324 E N 0.098 120.473 120.200 0.292 0.000 2.150 324 E HA -0.149 4.223 4.350 0.038 0.000 0.193 324 E C 2.356 178.984 176.600 0.046 0.000 0.985 324 E CA 1.187 57.675 56.400 0.148 0.000 0.814 324 E CB -0.359 29.379 29.700 0.064 0.000 0.752 324 E HN 0.184 nan 8.360 nan 0.000 0.466 325 A N 1.243 124.087 122.820 0.040 0.000 1.877 325 A HA -0.171 4.172 4.320 0.038 0.000 0.216 325 A C 2.168 179.766 177.584 0.024 0.000 1.186 325 A CA 1.066 53.116 52.037 0.021 0.000 0.620 325 A CB -0.526 18.488 19.000 0.022 0.000 0.822 325 A HN 0.133 nan 8.150 nan 0.000 0.443 326 I N -0.530 120.082 120.570 0.070 0.000 2.252 326 I HA -0.228 3.965 4.170 0.038 0.000 0.245 326 I C 2.443 178.628 176.117 0.112 0.000 1.102 326 I CA 1.393 62.789 61.300 0.160 0.000 1.385 326 I CB -0.373 37.665 38.000 0.064 0.000 1.064 326 I HN 0.418 nan 8.210 nan 0.000 0.414 327 E N 0.748 120.964 120.200 0.027 0.000 2.204 327 E HA -0.157 4.215 4.350 0.038 0.000 0.194 327 E C 2.165 178.777 176.600 0.020 0.000 0.989 327 E CA 1.101 57.527 56.400 0.044 0.000 0.824 327 E CB -0.042 29.714 29.700 0.094 0.000 0.756 327 E HN 0.497 nan 8.360 nan 0.000 0.477 328 A N 0.076 122.881 122.820 -0.026 0.000 2.169 328 A HA 0.192 4.535 4.320 0.038 0.000 0.212 328 A C 1.771 179.273 177.584 -0.138 0.000 1.153 328 A CA 0.970 52.969 52.037 -0.062 0.000 0.756 328 A CB -0.088 18.867 19.000 -0.074 0.000 0.813 328 A HN 0.329 nan 8.150 nan 0.000 0.471 329 G N -0.459 108.155 108.800 -0.310 0.000 2.141 329 G HA2 -0.188 3.794 3.960 0.038 0.000 0.242 329 G HA3 -0.188 3.794 3.960 0.038 0.000 0.242 329 G C -0.257 174.096 174.900 -0.911 0.000 0.982 329 G CA 0.234 44.812 45.100 -0.871 0.000 0.662 329 G HN 0.435 nan 8.290 nan 0.000 0.527 330 D N 0.935 121.072 120.400 -0.438 0.000 2.994 330 D HA 0.275 4.938 4.640 0.038 0.000 0.240 330 D C 0.818 177.030 176.300 -0.147 0.000 1.195 330 D CA -0.218 53.642 54.000 -0.234 0.000 0.957 330 D CB -0.669 40.102 40.800 -0.048 0.000 1.105 330 D HN 0.435 nan 8.370 nan 0.000 0.477 331 F N 1.388 121.344 119.950 0.011 0.000 2.602 331 F HA 0.064 4.614 4.527 0.038 0.000 0.385 331 F C -1.353 174.426 175.800 -0.034 0.000 1.063 331 F CA -1.805 56.196 58.000 0.001 0.000 1.233 331 F CB -0.202 38.810 39.000 0.020 0.000 1.067 331 F HN -0.082 nan 8.300 nan 0.000 0.564 332 P HA 0.003 nan 4.420 nan 0.000 0.261 332 P C -0.942 176.319 177.300 -0.065 0.000 1.183 332 P CA 0.439 63.540 63.100 0.001 0.000 0.761 332 P CB 0.456 32.251 31.700 0.157 0.000 0.785 333 E N 2.212 122.214 120.200 -0.329 0.000 2.266 333 E HA 0.482 4.855 4.350 0.038 0.000 0.268 333 E C -1.096 175.212 176.600 -0.486 0.000 0.879 333 E CA -0.572 55.704 56.400 -0.206 0.000 0.762 333 E CB 1.575 31.241 29.700 -0.056 0.000 1.199 333 E HN 0.374 nan 8.360 nan 0.000 0.422 334 Y N 0.242 120.624 120.300 0.137 0.000 2.492 334 Y HA 0.225 4.798 4.550 0.038 0.000 0.346 334 Y C -0.312 175.832 175.900 0.405 0.000 0.997 334 Y CA -0.938 57.321 58.100 0.265 0.000 1.025 334 Y CB 2.043 40.637 38.460 0.223 0.000 1.263 334 Y HN 0.458 nan 8.280 nan 0.000 0.454 335 E N 2.756 123.281 120.200 0.542 0.000 2.146 335 E HA 0.348 4.721 4.350 0.038 0.000 0.282 335 E C -1.328 175.551 176.600 0.465 0.000 0.989 335 E CA -0.911 55.766 56.400 0.462 0.000 0.799 335 E CB 0.917 30.818 29.700 0.336 0.000 1.088 335 E HN 0.579 nan 8.360 nan 0.000 0.397 336 L N 4.412 125.832 121.223 0.329 0.000 2.455 336 L HA 0.410 4.773 4.340 0.038 0.000 0.272 336 L C 0.025 176.817 176.870 -0.129 0.000 1.174 336 L CA 0.792 55.519 54.840 -0.190 0.000 0.869 336 L CB 0.873 42.759 42.059 -0.289 0.000 1.130 336 L HN 0.583 nan 8.230 nan 0.000 0.474 337 G N 4.453 113.190 108.800 -0.105 0.000 2.612 337 G HA2 0.557 4.539 3.960 0.038 0.000 0.298 337 G HA3 0.557 4.539 3.960 0.038 0.000 0.298 337 G C -1.569 173.452 174.900 0.202 0.000 1.336 337 G CA -0.555 44.517 45.100 -0.047 0.000 0.953 337 G HN 0.451 nan 8.290 nan 0.000 0.482 338 F N 0.226 120.198 119.950 0.036 0.000 2.482 338 F HA 0.399 4.949 4.527 0.038 0.000 0.331 338 F C 0.458 176.257 175.800 -0.002 0.000 1.115 338 F CA -0.974 57.051 58.000 0.042 0.000 0.955 338 F CB 2.456 41.466 39.000 0.017 0.000 1.136 338 F HN 0.115 nan 8.300 nan 0.000 0.452 339 Q N 4.186 124.110 119.800 0.207 0.000 2.296 339 Q HA 0.490 4.853 4.340 0.038 0.000 0.257 339 Q C -1.048 175.005 176.000 0.087 0.000 0.942 339 Q CA -0.471 55.397 55.803 0.109 0.000 0.939 339 Q CB 2.049 30.857 28.738 0.117 0.000 1.198 339 Q HN 0.547 nan 8.270 nan 0.000 0.429 340 L N 4.198 125.477 121.223 0.094 0.000 2.322 340 L HA 0.571 4.934 4.340 0.038 0.000 0.281 340 L C -0.808 176.123 176.870 0.101 0.000 1.014 340 L CA -0.807 54.078 54.840 0.075 0.000 0.815 340 L CB 1.269 43.377 42.059 0.082 0.000 1.247 340 L HN 0.511 nan 8.230 nan 0.000 0.421 341 I N 4.333 124.981 120.570 0.129 0.000 2.439 341 I HA 0.393 4.586 4.170 0.038 0.000 0.285 341 I C -2.316 173.918 176.117 0.195 0.000 1.021 341 I CA -1.816 59.604 61.300 0.200 0.000 1.091 341 I CB 1.762 39.917 38.000 0.258 0.000 1.242 341 I HN 0.302 nan 8.210 nan 0.000 0.439 342 P HA 0.027 nan 4.420 nan 0.000 0.268 342 P C 0.749 178.110 177.300 0.102 0.000 1.208 342 P CA -0.141 62.991 63.100 0.052 0.000 0.777 342 P CB 0.818 32.541 31.700 0.038 0.000 0.875 343 E N 2.332 122.503 120.200 -0.050 0.000 2.118 343 E HA -0.259 4.113 4.350 0.038 0.000 0.195 343 E C 1.321 178.008 176.600 0.145 0.000 0.992 343 E CA 1.119 57.502 56.400 -0.028 0.000 0.804 343 E CB 0.016 29.606 29.700 -0.184 0.000 0.741 343 E HN 0.479 nan 8.360 nan 0.000 0.458 344 E N 0.218 120.467 120.200 0.082 0.000 2.478 344 E HA -0.156 4.217 4.350 0.038 0.000 0.198 344 E C 0.336 176.983 176.600 0.079 0.000 1.046 344 E CA 0.703 57.155 56.400 0.087 0.000 0.870 344 E CB 0.058 29.792 29.700 0.056 0.000 0.818 344 E HN 0.245 nan 8.360 nan 0.000 0.527 345 D N 1.211 121.660 120.400 0.083 0.000 2.342 345 D HA 0.002 4.665 4.640 0.038 0.000 0.221 345 D C 1.354 177.638 176.300 -0.026 0.000 1.101 345 D CA 0.029 54.041 54.000 0.019 0.000 0.837 345 D CB 0.199 41.022 40.800 0.039 0.000 0.938 345 D HN 0.400 nan 8.370 nan 0.000 0.508 346 E N -0.163 119.993 120.200 -0.073 0.000 2.114 346 E HA -0.204 4.169 4.350 0.038 0.000 0.199 346 E C 0.417 176.663 176.600 -0.590 0.000 1.008 346 E CA 1.178 57.308 56.400 -0.450 0.000 0.810 346 E CB 0.007 29.254 29.700 -0.755 0.000 0.739 346 E HN 0.264 nan 8.360 nan 0.000 0.456 347 F N -0.368 119.560 119.950 -0.036 0.000 2.684 347 F HA 0.284 4.834 4.527 0.038 0.000 0.298 347 F C 1.284 176.985 175.800 -0.165 0.000 1.120 347 F CA -0.321 57.635 58.000 -0.074 0.000 1.332 347 F CB 0.578 39.551 39.000 -0.044 0.000 0.986 347 F HN -0.186 nan 8.300 nan 0.000 0.524 348 K N 0.182 120.451 120.400 -0.220 0.000 2.525 348 K HA 0.089 4.431 4.320 0.038 0.000 0.192 348 K C -0.241 175.926 176.600 -0.721 0.000 1.029 348 K CA 0.510 56.501 56.287 -0.493 0.000 1.029 348 K CB 0.129 32.249 32.500 -0.633 0.000 0.814 348 K HN 0.190 nan 8.250 nan 0.000 0.503 349 F N -0.416 119.384 119.950 -0.251 0.000 2.557 349 F HA 0.166 4.716 4.527 0.038 0.000 0.336 349 F C 1.204 176.810 175.800 -0.323 0.000 1.058 349 F CA -1.065 56.689 58.000 -0.410 0.000 0.988 349 F CB 0.787 39.180 39.000 -1.012 0.000 1.275 349 F HN -0.241 nan 8.300 nan 0.000 0.488 350 D N 0.302 120.711 120.400 0.014 0.000 2.371 350 D HA 0.007 4.670 4.640 0.038 0.000 0.221 350 D C -0.321 176.074 176.300 0.158 0.000 0.986 350 D CA 1.044 55.118 54.000 0.124 0.000 0.899 350 D CB -0.166 40.804 40.800 0.283 0.000 0.902 350 D HN 0.264 nan 8.370 nan 0.000 0.530 351 F N -1.504 118.527 119.950 0.134 0.000 2.640 351 F HA 0.482 5.032 4.527 0.038 0.000 0.324 351 F C -0.184 175.612 175.800 -0.006 0.000 1.077 351 F CA -1.583 56.419 58.000 0.005 0.000 0.965 351 F CB 0.823 39.777 39.000 -0.077 0.000 1.351 351 F HN -0.417 nan 8.300 nan 0.000 0.487 352 D N 1.383 121.810 120.400 0.045 0.000 2.264 352 D HA 0.235 4.898 4.640 0.038 0.000 0.250 352 D C 0.934 177.194 176.300 -0.067 0.000 1.113 352 D CA -0.105 53.867 54.000 -0.047 0.000 0.871 352 D CB 1.597 42.372 40.800 -0.042 0.000 1.167 352 D HN 0.730 nan 8.370 nan 0.000 0.447 353 L N 3.362 124.484 121.223 -0.168 0.000 2.265 353 L HA -0.115 4.248 4.340 0.038 0.000 0.215 353 L C 1.989 178.749 176.870 -0.184 0.000 1.117 353 L CA 0.676 55.397 54.840 -0.198 0.000 0.782 353 L CB -0.070 41.725 42.059 -0.441 0.000 0.914 353 L HN 0.441 nan 8.230 nan 0.000 0.441 354 L N -0.917 120.218 121.223 -0.147 0.000 2.591 354 L HA 0.044 4.407 4.340 0.038 0.000 0.228 354 L C 0.452 177.262 176.870 -0.100 0.000 1.133 354 L CA -0.091 54.732 54.840 -0.028 0.000 0.880 354 L CB -0.281 41.882 42.059 0.173 0.000 1.033 354 L HN 0.107 nan 8.230 nan 0.000 0.450 355 D N 1.809 121.914 120.400 -0.492 0.000 2.347 355 D HA 0.124 4.787 4.640 0.038 0.000 0.235 355 D C -1.693 174.382 176.300 -0.375 0.000 1.149 355 D CA -2.299 51.134 54.000 -0.945 0.000 0.850 355 D CB 1.580 41.576 40.800 -1.340 0.000 1.061 355 D HN -0.072 nan 8.370 nan 0.000 0.487 356 P HA -0.004 nan 4.420 nan 0.000 0.245 356 P C 0.843 178.060 177.300 -0.139 0.000 1.212 356 P CA 0.436 63.478 63.100 -0.097 0.000 0.774 356 P CB -0.097 31.640 31.700 0.062 0.000 0.999 357 T N -4.205 110.253 114.554 -0.160 0.000 3.129 357 T HA 0.142 4.515 4.350 0.038 0.000 0.251 357 T C 0.719 175.328 174.700 -0.151 0.000 1.117 357 T CA -0.040 61.974 62.100 -0.143 0.000 1.034 357 T CB -0.249 68.579 68.868 -0.066 0.000 0.968 357 T HN -0.136 nan 8.240 nan 0.000 0.526 358 K N 2.097 122.314 120.400 -0.305 0.000 2.221 358 K HA 0.557 4.900 4.320 0.038 0.000 0.258 358 K C -0.366 176.046 176.600 -0.314 0.000 0.944 358 K CA -0.851 55.115 56.287 -0.535 0.000 0.823 358 K CB 2.161 34.247 32.500 -0.691 0.000 1.113 358 K HN 0.287 nan 8.250 nan 0.000 0.431 359 L N -0.163 121.020 121.223 -0.068 0.000 2.387 359 L HA 0.646 5.009 4.340 0.038 0.000 0.266 359 L C -0.049 176.630 176.870 -0.317 0.000 1.059 359 L CA -0.478 54.275 54.840 -0.145 0.000 0.801 359 L CB 0.300 42.343 42.059 -0.026 0.000 1.223 359 L HN 0.448 nan 8.230 nan 0.000 0.456 360 I N 1.643 122.112 120.570 -0.168 0.000 2.307 360 I HA 0.368 4.561 4.170 0.038 0.000 0.289 360 I C -2.106 174.003 176.117 -0.013 0.000 1.021 360 I CA -1.680 59.562 61.300 -0.096 0.000 1.224 360 I CB 1.124 39.103 38.000 -0.035 0.000 1.376 360 I HN 0.463 nan 8.210 nan 0.000 0.470 361 P HA 0.060 nan 4.420 nan 0.000 0.268 361 P C 0.297 177.645 177.300 0.081 0.000 1.204 361 P CA -0.024 63.102 63.100 0.042 0.000 0.768 361 P CB 0.639 32.356 31.700 0.029 0.000 0.842 362 E N 1.653 121.913 120.200 0.101 0.000 2.265 362 E HA -0.197 4.176 4.350 0.038 0.000 0.196 362 E C 1.413 178.058 176.600 0.076 0.000 0.996 362 E CA 0.758 57.209 56.400 0.085 0.000 0.832 362 E CB -0.003 29.752 29.700 0.091 0.000 0.756 362 E HN 0.500 nan 8.360 nan 0.000 0.491 363 E N 0.419 120.665 120.200 0.077 0.000 2.160 363 E HA -0.163 4.210 4.350 0.038 0.000 0.195 363 E C 2.047 178.706 176.600 0.098 0.000 0.991 363 E CA 0.845 57.290 56.400 0.075 0.000 0.810 363 E CB 0.033 29.772 29.700 0.065 0.000 0.742 363 E HN 0.369 nan 8.360 nan 0.000 0.466 364 L N -0.501 120.799 121.223 0.128 0.000 2.168 364 L HA 0.048 4.411 4.340 0.038 0.000 0.203 364 L C 0.610 177.594 176.870 0.190 0.000 1.078 364 L CA 0.379 55.335 54.840 0.193 0.000 0.780 364 L CB 0.404 42.640 42.059 0.295 0.000 0.939 364 L HN -0.207 nan 8.230 nan 0.000 0.451 365 V N 1.377 121.372 119.914 0.134 0.000 2.462 365 V HA 0.326 4.469 4.120 0.038 0.000 0.288 365 V C -2.389 173.745 176.094 0.068 0.000 1.020 365 V CA -1.423 60.945 62.300 0.113 0.000 0.857 365 V CB 1.666 33.546 31.823 0.096 0.000 1.013 365 V HN -0.048 nan 8.190 nan 0.000 0.431 366 P HA 0.219 nan 4.420 nan 0.000 0.274 366 P C -0.355 176.942 177.300 -0.005 0.000 1.231 366 P CA -0.105 63.011 63.100 0.027 0.000 0.790 366 P CB 1.380 33.102 31.700 0.035 0.000 0.951 367 V N 2.996 122.872 119.914 -0.063 0.000 2.455 367 V HA 0.077 4.220 4.120 0.038 0.000 0.273 367 V C 0.913 176.991 176.094 -0.027 0.000 1.045 367 V CA 0.103 62.333 62.300 -0.117 0.000 0.976 367 V CB 0.058 31.727 31.823 -0.257 0.000 0.993 367 V HN 0.558 nan 8.190 nan 0.000 0.475 368 Q N 6.330 126.135 119.800 0.007 0.000 2.296 368 Q HA 0.326 4.689 4.340 0.038 0.000 0.257 368 Q C 0.432 176.417 176.000 -0.025 0.000 0.942 368 Q CA -0.769 55.041 55.803 0.012 0.000 0.939 368 Q CB 0.710 29.471 28.738 0.039 0.000 1.198 368 Q HN 0.819 nan 8.270 nan 0.000 0.429 369 R N 2.003 122.513 120.500 0.017 0.000 2.590 369 R HA 0.095 4.458 4.340 0.038 0.000 0.274 369 R C -0.504 175.811 176.300 0.025 0.000 1.061 369 R CA -0.324 55.822 56.100 0.077 0.000 1.081 369 R CB 0.664 31.078 30.300 0.191 0.000 0.984 369 R HN 0.498 nan 8.270 nan 0.000 0.448 370 V N 1.149 121.010 119.914 -0.089 0.000 3.137 370 V HA 0.329 4.472 4.120 0.038 0.000 0.236 370 V C 0.759 176.627 176.094 -0.377 0.000 1.260 370 V CA 1.081 63.204 62.300 -0.294 0.000 1.244 370 V CB 0.888 32.250 31.823 -0.770 0.000 1.016 370 V HN 1.076 nan 8.190 nan 0.000 0.477 371 G N -0.255 108.211 108.800 -0.558 0.000 2.430 371 G HA2 0.494 4.476 3.960 0.038 0.000 0.300 371 G HA3 0.494 4.476 3.960 0.038 0.000 0.300 371 G C -1.872 172.652 174.900 -0.628 0.000 1.330 371 G CA -0.513 43.927 45.100 -1.099 0.000 0.813 371 G HN 0.065 nan 8.290 nan 0.000 0.487 372 K N -0.419 119.627 120.400 -0.590 0.000 2.378 372 K HA 0.734 5.077 4.320 0.038 0.000 0.252 372 K C -0.833 175.780 176.600 0.021 0.000 0.931 372 K CA -0.784 55.468 56.287 -0.058 0.000 0.794 372 K CB 2.056 34.563 32.500 0.012 0.000 1.181 372 K HN 0.596 nan 8.250 nan 0.000 0.425 373 M N 4.611 124.376 119.600 0.275 0.000 2.383 373 M HA 0.427 4.929 4.480 0.038 0.000 0.325 373 M C -1.744 174.540 176.300 -0.027 0.000 1.092 373 M CA -0.768 54.635 55.300 0.172 0.000 0.961 373 M CB 1.721 34.471 32.600 0.250 0.000 1.672 373 M HN 0.370 nan 8.290 nan 0.000 0.438 374 V N 6.121 125.854 119.914 -0.301 0.000 2.588 374 V HA 0.463 4.606 4.120 0.038 0.000 0.304 374 V C -0.631 175.353 176.094 -0.183 0.000 1.042 374 V CA -0.729 61.425 62.300 -0.242 0.000 0.877 374 V CB 1.940 33.515 31.823 -0.414 0.000 0.996 374 V HN 0.806 nan 8.190 nan 0.000 0.425 375 L N 5.430 126.630 121.223 -0.039 0.000 2.262 375 L HA 0.517 4.880 4.340 0.038 0.000 0.288 375 L C 0.415 177.229 176.870 -0.094 0.000 1.035 375 L CA -0.308 54.512 54.840 -0.033 0.000 0.820 375 L CB 1.112 43.194 42.059 0.039 0.000 1.204 375 L HN 0.873 nan 8.230 nan 0.000 0.424 376 N N 2.185 120.751 118.700 -0.223 0.000 2.143 376 N HA 0.128 4.891 4.740 0.038 0.000 0.229 376 N C -0.030 175.330 175.510 -0.250 0.000 1.294 376 N CA -0.371 52.330 53.050 -0.583 0.000 0.883 376 N CB 0.807 38.650 38.487 -1.073 0.000 1.148 376 N HN 0.419 nan 8.380 nan 0.000 0.511 377 R N 0.565 121.011 120.500 -0.089 0.000 2.515 377 R HA 0.299 4.662 4.340 0.038 0.000 0.278 377 R C -1.209 175.047 176.300 -0.073 0.000 1.107 377 R CA -0.487 55.573 56.100 -0.068 0.000 0.945 377 R CB 1.423 31.691 30.300 -0.053 0.000 1.219 377 R HN 0.101 nan 8.270 nan 0.000 0.434 378 N N 3.145 121.673 118.700 -0.287 0.000 2.444 378 N HA 0.271 5.034 4.740 0.038 0.000 0.255 378 N C -2.178 173.259 175.510 -0.120 0.000 1.255 378 N CA -1.125 51.607 53.050 -0.529 0.000 0.933 378 N CB 0.426 37.903 38.487 -1.684 0.000 1.143 378 N HN 0.274 nan 8.380 nan 0.000 0.453 379 P HA 0.087 nan 4.420 nan 0.000 0.272 379 P C 0.133 177.617 177.300 0.306 0.000 1.254 379 P CA -0.077 63.216 63.100 0.321 0.000 0.795 379 P CB 0.945 32.888 31.700 0.406 0.000 1.022 380 D N -1.150 119.404 120.400 0.256 0.000 2.201 380 D HA -0.026 4.637 4.640 0.038 0.000 0.209 380 D C 0.490 176.968 176.300 0.297 0.000 0.961 380 D CA 1.373 55.524 54.000 0.251 0.000 0.861 380 D CB 0.119 41.005 40.800 0.144 0.000 0.997 380 D HN 0.386 nan 8.370 nan 0.000 0.486 381 N N -0.166 118.701 118.700 0.277 0.000 2.448 381 N HA 0.014 4.777 4.740 0.038 0.000 0.279 381 N C 0.059 175.778 175.510 0.349 0.000 1.025 381 N CA -0.325 52.902 53.050 0.295 0.000 0.898 381 N CB 1.508 40.135 38.487 0.234 0.000 1.303 381 N HN -0.153 nan 8.380 nan 0.000 0.495 382 F N 4.391 124.495 119.950 0.258 0.000 2.095 382 F HA -0.179 4.369 4.527 0.036 0.000 0.298 382 F C 1.658 177.596 175.800 0.230 0.000 1.104 382 F CA 1.516 59.671 58.000 0.258 0.000 1.232 382 F CB -0.102 39.022 39.000 0.206 0.000 0.987 382 F HN 0.600 nan 8.300 nan 0.000 0.475 383 F N 0.801 120.998 119.950 0.413 0.000 2.102 383 F HA -0.146 4.413 4.527 0.053 0.000 0.298 383 F C 2.313 178.176 175.800 0.105 0.000 1.105 383 F CA 1.791 59.950 58.000 0.264 0.000 1.239 383 F CB -0.869 38.257 39.000 0.210 0.000 0.991 383 F HN -0.007 nan 8.300 nan 0.000 0.474 384 A N -0.355 122.594 122.820 0.214 0.000 1.930 384 A HA -0.149 4.193 4.320 0.038 0.000 0.217 384 A C 2.058 179.578 177.584 -0.107 0.000 1.175 384 A CA 1.960 54.032 52.037 0.058 0.000 0.627 384 A CB -0.634 18.460 19.000 0.157 0.000 0.815 384 A HN 0.595 nan 8.150 nan 0.000 0.443 385 E N -1.368 118.784 120.200 -0.080 0.000 2.162 385 E HA -0.051 4.321 4.350 0.038 0.000 0.193 385 E C 1.902 178.415 176.600 -0.145 0.000 0.953 385 E CA 0.419 56.711 56.400 -0.181 0.000 0.849 385 E CB -0.079 29.573 29.700 -0.080 0.000 0.810 385 E HN 0.563 nan 8.360 nan 0.000 0.470 386 N N 1.305 119.909 118.700 -0.160 0.000 2.240 386 N HA -0.146 4.617 4.740 0.038 0.000 0.187 386 N C 1.828 177.163 175.510 -0.292 0.000 1.042 386 N CA 1.261 54.157 53.050 -0.258 0.000 0.861 386 N CB 0.043 37.973 38.487 -0.929 0.000 1.026 386 N HN -0.087 nan 8.380 nan 0.000 0.441 387 E N 0.941 120.905 120.200 -0.394 0.000 2.118 387 E HA -0.130 4.243 4.350 0.038 0.000 0.195 387 E C 1.734 178.151 176.600 -0.305 0.000 0.992 387 E CA 1.548 57.798 56.400 -0.249 0.000 0.804 387 E CB -0.190 29.381 29.700 -0.215 0.000 0.741 387 E HN 0.500 nan 8.360 nan 0.000 0.458 388 Q N -0.342 119.203 119.800 -0.426 0.000 2.451 388 Q HA 0.199 4.562 4.340 0.038 0.000 0.206 388 Q C 0.096 175.979 176.000 -0.196 0.000 0.947 388 Q CA 0.293 55.899 55.803 -0.329 0.000 0.937 388 Q CB 0.297 28.819 28.738 -0.361 0.000 1.025 388 Q HN 0.226 nan 8.270 nan 0.000 0.511 389 A N 1.141 123.865 122.820 -0.159 0.000 2.477 389 A HA 0.471 4.814 4.320 0.038 0.000 0.246 389 A C -0.192 177.277 177.584 -0.191 0.000 1.078 389 A CA 0.125 52.040 52.037 -0.203 0.000 0.770 389 A CB 0.277 19.236 19.000 -0.067 0.000 1.011 389 A HN 0.262 nan 8.150 nan 0.000 0.494 390 A N 2.369 125.021 122.820 -0.279 0.000 2.311 390 A HA 0.712 5.054 4.320 0.038 0.000 0.306 390 A C -0.832 176.635 177.584 -0.195 0.000 1.189 390 A CA -0.398 51.553 52.037 -0.145 0.000 0.791 390 A CB 0.330 19.263 19.000 -0.111 0.000 1.172 390 A HN 0.646 nan 8.150 nan 0.000 0.481 391 F N 1.007 120.972 119.950 0.024 0.000 2.480 391 F HA 0.661 5.210 4.527 0.037 0.000 0.329 391 F C 0.287 176.072 175.800 -0.024 0.000 1.091 391 F CA -0.084 57.905 58.000 -0.018 0.000 0.972 391 F CB 2.107 41.041 39.000 -0.109 0.000 1.150 391 F HN 0.763 nan 8.300 nan 0.000 0.467 392 H N 3.272 122.210 119.070 -0.219 0.000 3.087 392 H HA 0.278 4.857 4.556 0.038 0.000 0.348 392 H C -2.489 172.463 175.328 -0.626 0.000 1.092 392 H CA -1.711 53.969 56.048 -0.613 0.000 1.285 392 H CB 2.769 32.109 29.762 -0.703 0.000 1.875 392 H HN 0.196 nan 8.280 nan 0.000 0.512 393 P HA 0.009 nan 4.420 nan 0.000 0.233 393 P C 1.068 178.241 177.300 -0.211 0.000 1.167 393 P CA 1.236 64.019 63.100 -0.529 0.000 0.770 393 P CB 0.153 31.584 31.700 -0.449 0.000 0.837 394 G N -0.961 107.496 108.800 -0.572 0.000 2.598 394 G HA2 -0.140 3.843 3.960 0.038 0.000 0.215 394 G HA3 -0.140 3.843 3.960 0.038 0.000 0.215 394 G C 0.477 175.601 174.900 0.374 0.000 1.131 394 G CA -0.045 45.114 45.100 0.099 0.000 0.785 394 G HN 0.437 nan 8.290 nan 0.000 0.539 395 H N 0.835 120.027 119.070 0.203 0.000 3.216 395 H HA 0.309 4.888 4.556 0.037 0.000 0.263 395 H C 0.612 176.054 175.328 0.191 0.000 1.601 395 H CA -0.746 55.391 56.048 0.148 0.000 1.509 395 H CB -0.199 29.613 29.762 0.083 0.000 1.759 395 H HN 0.392 nan 8.280 nan 0.000 0.533 396 I N -0.560 120.147 120.570 0.229 0.000 3.217 396 I HA 0.689 4.882 4.170 0.038 0.000 0.308 396 I C -0.117 175.987 176.117 -0.021 0.000 1.091 396 I CA -1.407 59.951 61.300 0.097 0.000 1.013 396 I CB 1.848 39.792 38.000 -0.093 0.000 1.250 396 I HN 0.098 nan 8.210 nan 0.000 0.496 397 V N -2.597 117.280 119.914 -0.062 0.000 3.130 397 V HA 0.668 4.810 4.120 0.038 0.000 0.310 397 V C -2.879 173.310 176.094 0.159 0.000 1.158 397 V CA -2.502 59.824 62.300 0.042 0.000 1.029 397 V CB 1.049 32.873 31.823 0.001 0.000 1.057 397 V HN 0.625 nan 8.190 nan 0.000 0.436 398 P HA 0.370 nan 4.420 nan 0.000 0.264 398 P C 0.923 178.218 177.300 -0.008 0.000 1.183 398 P CA 2.067 65.238 63.100 0.120 0.000 0.763 398 P CB 0.694 32.443 31.700 0.081 0.000 0.807 399 G N 1.554 110.300 108.800 -0.091 0.000 2.238 399 G HA2 -0.157 3.825 3.960 0.038 0.000 0.217 399 G HA3 -0.157 3.825 3.960 0.038 0.000 0.217 399 G C -0.236 174.570 174.900 -0.156 0.000 0.996 399 G CA -0.389 44.638 45.100 -0.121 0.000 0.632 399 G HN 0.445 nan 8.290 nan 0.000 0.503 400 L N 0.096 121.237 121.223 -0.136 0.000 2.303 400 L HA 0.936 5.299 4.340 0.038 0.000 0.266 400 L C -0.417 176.388 176.870 -0.109 0.000 1.011 400 L CA -1.061 53.680 54.840 -0.165 0.000 0.818 400 L CB 2.002 43.891 42.059 -0.283 0.000 1.326 400 L HN 0.109 nan 8.230 nan 0.000 0.435 401 D N -0.808 119.515 120.400 -0.129 0.000 2.665 401 D HA 0.450 5.112 4.640 0.038 0.000 0.287 401 D C -1.183 175.028 176.300 -0.148 0.000 1.266 401 D CA -0.385 53.491 54.000 -0.207 0.000 0.830 401 D CB 1.793 42.545 40.800 -0.080 0.000 1.356 401 D HN 0.134 nan 8.370 nan 0.000 0.437 402 F N -0.205 119.859 119.950 0.190 0.000 2.251 402 F HA 0.536 5.085 4.527 0.038 0.000 0.302 402 F C 1.523 177.327 175.800 0.006 0.000 1.143 402 F CA -0.167 57.855 58.000 0.037 0.000 1.104 402 F CB 0.987 39.989 39.000 0.004 0.000 1.516 402 F HN 0.247 nan 8.300 nan 0.000 0.511 403 T N -3.358 111.284 114.554 0.145 0.000 2.716 403 T HA 0.301 4.674 4.350 0.038 0.000 0.286 403 T C -0.183 174.558 174.700 0.067 0.000 1.052 403 T CA -0.992 61.189 62.100 0.134 0.000 1.024 403 T CB 1.129 70.064 68.868 0.112 0.000 1.349 403 T HN 0.339 nan 8.240 nan 0.000 0.525 404 N N 1.154 119.901 118.700 0.078 0.000 2.370 404 N HA 0.071 4.833 4.740 0.038 0.000 0.198 404 N C -0.029 175.500 175.510 0.031 0.000 1.156 404 N CA 0.018 53.096 53.050 0.046 0.000 0.839 404 N CB -0.361 38.167 38.487 0.068 0.000 0.989 404 N HN 0.669 nan 8.380 nan 0.000 0.468 405 D N 2.357 122.764 120.400 0.011 0.000 2.662 405 D HA -0.088 4.575 4.640 0.038 0.000 0.237 405 D C -1.452 174.853 176.300 0.008 0.000 1.154 405 D CA -0.714 53.312 54.000 0.043 0.000 0.861 405 D CB 1.249 42.028 40.800 -0.035 0.000 1.146 405 D HN 0.163 nan 8.370 nan 0.000 0.518 406 P HA -0.045 nan 4.420 nan 0.000 0.249 406 P C 1.360 178.680 177.300 0.034 0.000 1.229 406 P CA -0.035 63.085 63.100 0.034 0.000 0.788 406 P CB 0.486 32.196 31.700 0.016 0.000 1.072 407 L N -0.195 121.064 121.223 0.059 0.000 2.130 407 L HA 0.058 4.421 4.340 0.038 0.000 0.200 407 L C 2.301 179.080 176.870 -0.151 0.000 1.075 407 L CA 1.132 55.996 54.840 0.041 0.000 0.768 407 L CB -1.524 40.646 42.059 0.184 0.000 0.933 407 L HN -0.178 nan 8.230 nan 0.000 0.451 408 L N -0.324 120.645 121.223 -0.423 0.000 2.013 408 L HA -0.253 4.109 4.340 0.038 0.000 0.212 408 L C 2.468 179.085 176.870 -0.421 0.000 1.073 408 L CA 1.856 56.234 54.840 -0.769 0.000 0.753 408 L CB -0.984 40.423 42.059 -1.086 0.000 0.890 408 L HN 0.390 nan 8.230 nan 0.000 0.432 409 Q N -0.177 119.451 119.800 -0.286 0.000 2.096 409 Q HA -0.205 4.158 4.340 0.038 0.000 0.208 409 Q C 2.104 178.024 176.000 -0.135 0.000 0.993 409 Q CA 1.992 57.671 55.803 -0.207 0.000 0.862 409 Q CB -0.920 27.749 28.738 -0.115 0.000 0.915 409 Q HN 0.720 nan 8.270 nan 0.000 0.416 410 G N 0.411 109.163 108.800 -0.080 0.000 2.421 410 G HA2 -0.214 3.769 3.960 0.038 0.000 0.217 410 G HA3 -0.214 3.769 3.960 0.038 0.000 0.217 410 G C 1.509 176.427 174.900 0.030 0.000 1.143 410 G CA 0.278 45.378 45.100 0.000 0.000 0.784 410 G HN 0.254 nan 8.290 nan 0.000 0.541 411 R N -0.116 120.348 120.500 -0.059 0.000 2.117 411 R HA -0.006 4.357 4.340 0.038 0.000 0.243 411 R C 2.501 178.886 176.300 0.141 0.000 1.143 411 R CA 0.965 57.090 56.100 0.041 0.000 0.968 411 R CB -0.477 29.801 30.300 -0.038 0.000 0.863 411 R HN 0.341 nan 8.270 nan 0.000 0.444 412 L N -0.439 120.759 121.223 -0.042 0.000 2.127 412 L HA -0.204 4.159 4.340 0.038 0.000 0.211 412 L C 2.272 179.278 176.870 0.227 0.000 1.089 412 L CA 1.069 55.902 54.840 -0.012 0.000 0.757 412 L CB -0.437 41.472 42.059 -0.250 0.000 0.899 412 L HN 0.163 nan 8.230 nan 0.000 0.434 413 F N 0.133 120.116 119.950 0.054 0.000 2.113 413 F HA -0.207 4.343 4.527 0.039 0.000 0.297 413 F C 2.814 178.652 175.800 0.063 0.000 1.103 413 F CA 1.679 59.705 58.000 0.044 0.000 1.248 413 F CB -0.299 38.707 39.000 0.009 0.000 0.999 413 F HN -0.066 nan 8.300 nan 0.000 0.475 414 S N -0.735 114.983 115.700 0.030 0.000 2.356 414 S HA -0.235 4.258 4.470 0.038 0.000 0.223 414 S C 2.055 176.534 174.600 -0.202 0.000 1.032 414 S CA 1.594 59.700 58.200 -0.157 0.000 1.005 414 S CB -0.793 62.330 63.200 -0.130 0.000 0.867 414 S HN 0.546 nan 8.310 nan 0.000 0.449 415 Y N 1.361 121.654 120.300 -0.012 0.000 2.439 415 Y HA -0.028 4.545 4.550 0.038 0.000 0.292 415 Y C 2.840 178.370 175.900 -0.616 0.000 1.130 415 Y CA 1.180 59.261 58.100 -0.030 0.000 1.254 415 Y CB -0.497 38.885 38.460 1.536 0.000 1.000 415 Y HN 0.278 nan 8.280 nan 0.000 0.554 416 T N -0.751 113.386 114.554 -0.694 0.000 2.770 416 T HA -0.168 4.205 4.350 0.038 0.000 0.258 416 T C 1.415 175.898 174.700 -0.363 0.000 1.039 416 T CA 1.458 63.280 62.100 -0.464 0.000 1.143 416 T CB -0.412 68.255 68.868 -0.335 0.000 0.866 416 T HN 0.306 nan 8.240 nan 0.000 0.428 417 D N 0.898 121.017 120.400 -0.468 0.000 2.127 417 D HA -0.155 4.507 4.640 0.038 0.000 0.190 417 D C 2.268 178.397 176.300 -0.286 0.000 1.000 417 D CA 1.843 55.581 54.000 -0.437 0.000 0.839 417 D CB -0.599 39.745 40.800 -0.761 0.000 0.955 417 D HN 0.249 nan 8.370 nan 0.000 0.446 418 T N -0.937 113.443 114.554 -0.290 0.000 2.803 418 T HA -0.161 4.212 4.350 0.038 0.000 0.269 418 T C 1.652 176.216 174.700 -0.227 0.000 1.052 418 T CA 1.380 63.351 62.100 -0.215 0.000 1.136 418 T CB -0.221 68.523 68.868 -0.206 0.000 0.864 418 T HN 0.184 nan 8.240 nan 0.000 0.467 419 Q N 0.556 120.144 119.800 -0.354 0.000 2.226 419 Q HA -0.009 4.354 4.340 0.038 0.000 0.204 419 Q C 2.267 178.126 176.000 -0.235 0.000 0.975 419 Q CA 0.736 56.264 55.803 -0.459 0.000 0.866 419 Q CB -0.422 27.592 28.738 -1.206 0.000 0.915 419 Q HN 0.518 nan 8.270 nan 0.000 0.440 420 I N 1.173 121.661 120.570 -0.136 0.000 2.286 420 I HA -0.207 3.986 4.170 0.038 0.000 0.248 420 I C 2.374 178.479 176.117 -0.020 0.000 1.115 420 I CA 1.680 62.966 61.300 -0.023 0.000 1.392 420 I CB -1.368 36.629 38.000 -0.004 0.000 1.065 420 I HN 0.197 nan 8.210 nan 0.000 0.418 421 S N 0.507 116.181 115.700 -0.042 0.000 2.387 421 S HA -0.089 4.404 4.470 0.038 0.000 0.221 421 S C 2.180 176.764 174.600 -0.027 0.000 1.041 421 S CA 0.254 58.441 58.200 -0.021 0.000 0.959 421 S CB -0.446 62.746 63.200 -0.013 0.000 0.843 421 S HN 0.286 nan 8.310 nan 0.000 0.488 422 R N 0.925 121.389 120.500 -0.059 0.000 2.083 422 R HA 0.091 4.454 4.340 0.038 0.000 0.237 422 R C 1.466 177.740 176.300 -0.044 0.000 1.137 422 R CA 1.647 57.715 56.100 -0.053 0.000 0.951 422 R CB -0.286 29.959 30.300 -0.092 0.000 0.851 422 R HN 0.456 nan 8.270 nan 0.000 0.434 423 L N -1.099 120.084 121.223 -0.066 0.000 2.857 423 L HA 0.309 4.672 4.340 0.038 0.000 0.249 423 L C 0.810 177.691 176.870 0.018 0.000 1.172 423 L CA 0.344 55.165 54.840 -0.031 0.000 0.980 423 L CB 1.185 43.212 42.059 -0.053 0.000 1.299 423 L HN 0.626 nan 8.230 nan 0.000 0.535 424 G N -0.054 108.756 108.800 0.017 0.000 2.175 424 G HA2 -0.104 3.879 3.960 0.038 0.000 0.244 424 G HA3 -0.104 3.879 3.960 0.038 0.000 0.244 424 G C 0.454 175.389 174.900 0.058 0.000 0.982 424 G CA -0.051 45.068 45.100 0.033 0.000 0.641 424 G HN 0.786 nan 8.290 nan 0.000 0.527 425 G N -1.428 107.425 108.800 0.090 0.000 2.362 425 G HA2 0.566 4.548 3.960 0.038 0.000 0.288 425 G HA3 0.566 4.548 3.960 0.038 0.000 0.288 425 G C -2.145 172.886 174.900 0.219 0.000 1.305 425 G CA 0.384 45.556 45.100 0.119 0.000 0.910 425 G HN 0.534 nan 8.290 nan 0.000 0.518 426 P HA 0.135 nan 4.420 nan 0.000 0.255 426 P C 0.299 177.623 177.300 0.040 0.000 1.248 426 P CA 0.302 63.510 63.100 0.180 0.000 0.807 426 P CB 0.214 31.976 31.700 0.103 0.000 1.150 427 N N 0.565 119.286 118.700 0.035 0.000 2.389 427 N HA 0.059 4.822 4.740 0.038 0.000 0.237 427 N C 1.004 176.381 175.510 -0.220 0.000 1.148 427 N CA -0.168 52.804 53.050 -0.130 0.000 0.854 427 N CB -0.727 37.716 38.487 -0.074 0.000 1.115 427 N HN 0.280 nan 8.380 nan 0.000 0.492 428 F N 0.546 120.474 119.950 -0.037 0.000 2.365 428 F HA -0.063 4.486 4.527 0.037 0.000 0.300 428 F C 2.221 177.954 175.800 -0.112 0.000 1.090 428 F CA 0.737 58.690 58.000 -0.078 0.000 1.408 428 F CB -0.717 38.255 39.000 -0.047 0.000 1.060 428 F HN 0.182 nan 8.300 nan 0.000 0.534 429 H N 0.470 119.173 119.070 -0.612 0.000 2.545 429 H HA 0.041 4.620 4.556 0.039 0.000 0.282 429 H C 0.888 176.061 175.328 -0.258 0.000 1.020 429 H CA 1.382 57.169 56.048 -0.434 0.000 1.243 429 H CB -0.751 28.616 29.762 -0.658 0.000 1.377 429 H HN 0.526 nan 8.280 nan 0.000 0.581 430 E N 0.937 120.705 120.200 -0.720 0.000 2.478 430 E HA 0.164 4.537 4.350 0.038 0.000 0.194 430 E C 0.402 176.889 176.600 -0.188 0.000 1.045 430 E CA -0.263 55.886 56.400 -0.418 0.000 0.868 430 E CB 0.477 29.946 29.700 -0.384 0.000 0.885 430 E HN 0.439 nan 8.360 nan 0.000 0.505 431 I N 2.472 122.950 120.570 -0.153 0.000 2.618 431 I HA -0.056 4.137 4.170 0.038 0.000 0.284 431 I C -1.539 174.519 176.117 -0.097 0.000 1.146 431 I CA -1.400 59.841 61.300 -0.099 0.000 1.425 431 I CB 0.589 38.543 38.000 -0.077 0.000 1.383 431 I HN -0.199 nan 8.210 nan 0.000 0.562 432 P HA -0.216 nan 4.420 nan 0.000 0.215 432 P C 1.734 178.963 177.300 -0.118 0.000 1.157 432 P CA 1.174 64.220 63.100 -0.090 0.000 0.874 432 P CB 0.174 31.829 31.700 -0.075 0.000 0.790 433 I N -0.523 119.951 120.570 -0.161 0.000 2.335 433 I HA -0.204 3.988 4.170 0.038 0.000 0.251 433 I C 1.304 177.349 176.117 -0.119 0.000 1.129 433 I CA 1.714 62.871 61.300 -0.240 0.000 1.402 433 I CB -0.644 37.103 38.000 -0.421 0.000 1.069 433 I HN -0.103 nan 8.210 nan 0.000 0.424 434 N N 0.629 119.273 118.700 -0.093 0.000 2.422 434 N HA 0.036 4.799 4.740 0.038 0.000 0.181 434 N C 0.274 175.787 175.510 0.006 0.000 1.080 434 N CA 0.193 53.214 53.050 -0.049 0.000 0.893 434 N CB -0.134 38.340 38.487 -0.021 0.000 0.973 434 N HN 0.370 nan 8.380 nan 0.000 0.456 435 R N 1.759 122.263 120.500 0.007 0.000 2.522 435 R HA 0.125 4.488 4.340 0.038 0.000 0.284 435 R C -2.204 174.160 176.300 0.106 0.000 1.032 435 R CA -1.107 55.002 56.100 0.014 0.000 1.049 435 R CB -0.082 30.212 30.300 -0.010 0.000 0.956 435 R HN 0.051 nan 8.270 nan 0.000 0.422 436 P HA -0.016 nan 4.420 nan 0.000 0.271 436 P C 0.634 178.011 177.300 0.127 0.000 1.218 436 P CA -0.080 63.096 63.100 0.127 0.000 0.780 436 P CB 0.782 32.510 31.700 0.047 0.000 0.901 437 T N -1.182 113.466 114.554 0.156 0.000 3.014 437 T HA 0.146 4.519 4.350 0.038 0.000 0.263 437 T C 0.978 175.731 174.700 0.087 0.000 1.078 437 T CA 0.266 62.414 62.100 0.080 0.000 1.135 437 T CB -0.439 68.465 68.868 0.060 0.000 0.895 437 T HN 0.477 nan 8.240 nan 0.000 0.480 438 A N 2.963 125.848 122.820 0.108 0.000 2.406 438 A HA 0.536 4.879 4.320 0.038 0.000 0.243 438 A C -2.139 175.507 177.584 0.104 0.000 1.082 438 A CA -1.309 50.788 52.037 0.100 0.000 0.786 438 A CB -0.460 18.599 19.000 0.099 0.000 1.029 438 A HN 0.300 nan 8.150 nan 0.000 0.495 439 P HA 0.306 nan 4.420 nan 0.000 0.269 439 P C -1.071 176.308 177.300 0.131 0.000 1.209 439 P CA 0.634 63.804 63.100 0.117 0.000 0.776 439 P CB 0.139 31.951 31.700 0.187 0.000 0.876 440 Y N 0.715 120.910 120.300 -0.175 0.000 2.396 440 Y HA 0.655 5.227 4.550 0.038 0.000 0.332 440 Y C -1.489 174.087 175.900 -0.540 0.000 1.034 440 Y CA -0.893 57.081 58.100 -0.210 0.000 1.057 440 Y CB 1.380 39.739 38.460 -0.168 0.000 1.220 440 Y HN 0.444 nan 8.280 nan 0.000 0.440 441 H N 3.870 122.804 119.070 -0.227 0.000 2.947 441 H HA 0.538 5.117 4.556 0.039 0.000 0.354 441 H C -1.183 174.014 175.328 -0.219 0.000 1.085 441 H CA -0.755 55.091 56.048 -0.337 0.000 1.253 441 H CB 1.663 31.274 29.762 -0.251 0.000 1.757 441 H HN 0.899 nan 8.280 nan 0.000 0.523 442 N N 0.459 119.039 118.700 -0.200 0.000 3.449 442 N HA 0.169 4.932 4.740 0.038 0.000 0.312 442 N C -1.237 174.044 175.510 -0.382 0.000 1.557 442 N CA -0.918 51.982 53.050 -0.250 0.000 0.864 442 N CB 0.596 39.092 38.487 0.014 0.000 1.799 442 N HN 0.306 nan 8.380 nan 0.000 0.554 443 F N -0.308 119.681 119.950 0.065 0.000 2.653 443 F HA 0.363 4.913 4.527 0.038 0.000 0.304 443 F C 0.491 176.332 175.800 0.069 0.000 1.092 443 F CA -0.345 57.689 58.000 0.057 0.000 1.279 443 F CB 0.233 39.262 39.000 0.049 0.000 1.044 443 F HN 0.140 nan 8.300 nan 0.000 0.564 444 Q N 1.507 121.415 119.800 0.180 0.000 2.373 444 Q HA 0.425 4.787 4.340 0.038 0.000 0.255 444 Q C 0.021 176.096 176.000 0.126 0.000 0.980 444 Q CA -0.068 55.820 55.803 0.142 0.000 0.882 444 Q CB 1.027 29.825 28.738 0.100 0.000 1.249 444 Q HN 0.080 nan 8.270 nan 0.000 0.438 445 R N 1.506 122.074 120.500 0.112 0.000 2.774 445 R HA 0.336 4.698 4.340 0.038 0.000 0.272 445 R C -0.752 175.596 176.300 0.080 0.000 1.000 445 R CA -0.613 55.545 56.100 0.096 0.000 0.906 445 R CB 1.318 31.677 30.300 0.099 0.000 1.227 445 R HN 0.731 nan 8.270 nan 0.000 0.468 446 D N -0.140 120.300 120.400 0.067 0.000 3.496 446 D HA -0.164 4.499 4.640 0.038 0.000 0.238 446 D C 0.377 176.711 176.300 0.057 0.000 1.707 446 D CA 1.939 55.971 54.000 0.053 0.000 1.150 446 D CB -1.054 39.777 40.800 0.050 0.000 0.759 446 D HN 0.910 nan 8.370 nan 0.000 0.936 447 G N -1.446 107.386 108.800 0.053 0.000 2.712 447 G HA2 0.196 4.179 3.960 0.038 0.000 0.686 447 G HA3 0.196 4.179 3.960 0.038 0.000 0.686 447 G C -0.300 174.635 174.900 0.058 0.000 1.321 447 G CA 0.030 45.165 45.100 0.058 0.000 0.813 447 G HN 0.799 nan 8.290 nan 0.000 0.599 448 M N 1.269 120.909 119.600 0.067 0.000 2.251 448 M HA 0.450 4.953 4.480 0.038 0.000 0.343 448 M C 1.092 177.472 176.300 0.134 0.000 1.245 448 M CA 1.357 56.706 55.300 0.082 0.000 1.061 448 M CB -0.715 31.934 32.600 0.081 0.000 1.723 448 M HN 1.669 nan 8.290 nan 0.000 0.449 449 H N 1.094 120.169 119.070 0.009 0.000 2.692 449 H HA -0.189 4.388 4.556 0.036 0.000 0.316 449 H C -0.648 174.674 175.328 -0.011 0.000 1.176 449 H CA 0.597 56.647 56.048 0.002 0.000 1.142 449 H CB -0.622 29.144 29.762 0.007 0.000 1.475 449 H HN 0.665 nan 8.280 nan 0.000 0.423 450 R N 1.367 121.889 120.500 0.036 0.000 2.446 450 R HA 0.013 4.376 4.340 0.038 0.000 0.314 450 R C 0.975 177.268 176.300 -0.013 0.000 1.003 450 R CA 0.270 56.381 56.100 0.018 0.000 1.018 450 R CB 0.206 30.514 30.300 0.013 0.000 0.945 450 R HN 0.439 nan 8.270 nan 0.000 0.419 451 M N 2.600 122.206 119.600 0.010 0.000 2.412 451 M HA 0.209 4.712 4.480 0.038 0.000 0.263 451 M C 0.993 177.289 176.300 -0.007 0.000 1.122 451 M CA 1.048 56.348 55.300 0.001 0.000 1.179 451 M CB -0.885 31.726 32.600 0.019 0.000 1.335 451 M HN 0.679 nan 8.290 nan 0.000 0.465 452 G N 1.939 110.742 108.800 0.005 0.000 2.365 452 G HA2 0.386 4.369 3.960 0.038 0.000 0.249 452 G HA3 0.386 4.369 3.960 0.038 0.000 0.249 452 G C -0.362 174.534 174.900 -0.008 0.000 1.288 452 G CA -0.365 44.733 45.100 -0.003 0.000 0.887 452 G HN 0.323 nan 8.290 nan 0.000 0.524 453 I N 2.852 123.410 120.570 -0.020 0.000 2.307 453 I HA 0.104 4.297 4.170 0.038 0.000 0.287 453 I C -0.290 175.816 176.117 -0.018 0.000 1.054 453 I CA -0.529 60.763 61.300 -0.014 0.000 1.218 453 I CB 0.937 38.928 38.000 -0.016 0.000 1.398 453 I HN 0.348 nan 8.210 nan 0.000 0.475 454 D N 4.866 125.260 120.400 -0.010 0.000 2.348 454 D HA 0.073 4.736 4.640 0.038 0.000 0.253 454 D C 1.194 177.495 176.300 0.001 0.000 1.161 454 D CA 0.224 54.217 54.000 -0.013 0.000 0.876 454 D CB 1.831 42.630 40.800 -0.002 0.000 1.160 454 D HN 0.563 nan 8.370 nan 0.000 0.459 455 T N -0.790 113.760 114.554 -0.007 0.000 3.040 455 T HA -0.055 4.317 4.350 0.038 0.000 0.250 455 T C 0.853 175.561 174.700 0.012 0.000 1.058 455 T CA -0.546 61.555 62.100 0.001 0.000 0.988 455 T CB 0.156 69.018 68.868 -0.011 0.000 0.993 455 T HN 0.116 nan 8.240 nan 0.000 0.519 456 N N 3.462 122.170 118.700 0.013 0.000 2.365 456 N HA 0.064 4.827 4.740 0.038 0.000 0.265 456 N C -1.627 173.923 175.510 0.067 0.000 1.288 456 N CA -1.357 51.714 53.050 0.036 0.000 0.869 456 N CB 1.368 39.875 38.487 0.033 0.000 1.071 456 N HN 0.088 nan 8.380 nan 0.000 0.480 457 P HA -0.047 nan 4.420 nan 0.000 0.219 457 P C -0.489 176.879 177.300 0.113 0.000 1.146 457 P CA 0.972 64.121 63.100 0.081 0.000 0.808 457 P CB 0.187 31.930 31.700 0.072 0.000 0.779 458 A N 0.663 123.542 122.820 0.098 0.000 2.306 458 A HA 0.376 4.718 4.320 0.038 0.000 0.314 458 A C 0.515 178.223 177.584 0.207 0.000 1.164 458 A CA -0.621 51.440 52.037 0.040 0.000 0.822 458 A CB -0.091 18.758 19.000 -0.253 0.000 1.130 458 A HN 0.295 nan 8.150 nan 0.000 0.496 459 N N 0.261 119.131 118.700 0.283 0.000 2.351 459 N HA 0.382 5.145 4.740 0.038 0.000 0.254 459 N C -0.932 174.765 175.510 0.311 0.000 1.241 459 N CA -0.369 52.914 53.050 0.388 0.000 0.883 459 N CB 0.307 38.965 38.487 0.285 0.000 1.202 459 N HN 0.692 nan 8.380 nan 0.000 0.512 460 Y N -1.318 118.864 120.300 -0.197 0.000 2.624 460 Y HA 0.614 5.186 4.550 0.038 0.000 0.334 460 Y C -1.655 173.673 175.900 -0.953 0.000 1.155 460 Y CA -1.384 56.423 58.100 -0.489 0.000 1.046 460 Y CB 0.930 39.263 38.460 -0.211 0.000 1.316 460 Y HN 0.076 nan 8.280 nan 0.000 0.457 461 E N 1.248 120.945 120.200 -0.837 0.000 2.340 461 E HA 0.710 5.083 4.350 0.038 0.000 0.273 461 E C -3.157 173.330 176.600 -0.189 0.000 0.891 461 E CA -2.024 53.994 56.400 -0.637 0.000 0.757 461 E CB 1.702 30.970 29.700 -0.721 0.000 1.231 461 E HN 0.535 nan 8.360 nan 0.000 0.439 462 P HA 0.308 nan 4.420 nan 0.000 0.278 462 P C -1.300 175.938 177.300 -0.104 0.000 1.238 462 P CA -0.494 62.529 63.100 -0.128 0.000 0.794 462 P CB 0.484 32.148 31.700 -0.059 0.000 0.955 463 N N -1.651 116.915 118.700 -0.224 0.000 2.262 463 N HA 0.372 5.134 4.740 0.038 0.000 0.295 463 N C 0.254 175.713 175.510 -0.086 0.000 1.161 463 N CA -0.787 52.144 53.050 -0.198 0.000 0.767 463 N CB 1.424 39.509 38.487 -0.670 0.000 1.499 463 N HN 0.182 nan 8.380 nan 0.000 0.476 464 S N 0.403 116.102 115.700 -0.001 0.000 2.502 464 S HA 0.003 4.496 4.470 0.038 0.000 0.215 464 S C 1.498 176.112 174.600 0.023 0.000 1.009 464 S CA -0.089 58.113 58.200 0.004 0.000 0.908 464 S CB -0.731 62.484 63.200 0.024 0.000 0.801 464 S HN 0.717 nan 8.310 nan 0.000 0.505 465 I N -0.873 119.719 120.570 0.036 0.000 3.001 465 I HA 0.237 4.430 4.170 0.038 0.000 0.268 465 I C 1.138 177.288 176.117 0.056 0.000 1.267 465 I CA 1.134 62.467 61.300 0.056 0.000 1.472 465 I CB -0.336 37.717 38.000 0.089 0.000 1.089 465 I HN 0.177 nan 8.210 nan 0.000 0.468 466 N N 1.271 120.001 118.700 0.049 0.000 2.365 466 N HA 0.046 4.808 4.740 0.038 0.000 0.257 466 N C -0.073 175.545 175.510 0.180 0.000 1.287 466 N CA -0.054 53.066 53.050 0.117 0.000 0.882 466 N CB 0.009 38.577 38.487 0.134 0.000 1.250 466 N HN 0.194 nan 8.380 nan 0.000 0.507 467 D N 0.740 121.194 120.400 0.091 0.000 2.811 467 D HA -0.262 4.401 4.640 0.038 0.000 0.231 467 D C -0.010 176.187 176.300 -0.172 0.000 1.157 467 D CA 1.207 55.228 54.000 0.035 0.000 0.716 467 D CB -1.332 39.575 40.800 0.177 0.000 1.077 467 D HN 0.522 nan 8.370 nan 0.000 0.428 468 N N -1.788 116.840 118.700 -0.120 0.000 2.800 468 N HA -0.246 4.516 4.740 0.038 0.000 0.250 468 N C -0.780 174.644 175.510 -0.143 0.000 1.078 468 N CA 1.437 54.381 53.050 -0.176 0.000 0.804 468 N CB -1.318 37.020 38.487 -0.248 0.000 1.135 468 N HN 0.530 nan 8.380 nan 0.000 0.565 469 W N 1.102 122.450 121.300 0.079 0.000 2.313 469 W HA 0.421 5.104 4.660 0.038 0.000 0.328 469 W C -1.642 174.916 176.519 0.064 0.000 1.197 469 W CA -1.584 55.789 57.345 0.045 0.000 1.235 469 W CB 0.550 29.989 29.460 -0.035 0.000 1.158 469 W HN -0.021 nan 8.180 nan 0.000 0.578 470 P HA 0.204 nan 4.420 nan 0.000 0.275 470 P C -0.707 176.725 177.300 0.219 0.000 1.228 470 P CA -0.165 63.065 63.100 0.217 0.000 0.786 470 P CB 1.034 32.706 31.700 -0.046 0.000 0.927 471 R N 1.194 121.804 120.500 0.183 0.000 2.604 471 R HA 0.302 4.665 4.340 0.038 0.000 0.287 471 R C 0.347 176.676 176.300 0.047 0.000 0.970 471 R CA -0.812 55.269 56.100 -0.032 0.000 0.946 471 R CB 1.250 31.302 30.300 -0.414 0.000 1.127 471 R HN 0.502 nan 8.270 nan 0.000 0.473 472 E N 0.647 120.865 120.200 0.030 0.000 2.436 472 E HA -0.004 4.368 4.350 0.038 0.000 0.262 472 E C -0.548 176.072 176.600 0.034 0.000 1.063 472 E CA 0.799 57.227 56.400 0.047 0.000 0.944 472 E CB 0.612 30.330 29.700 0.029 0.000 0.950 472 E HN 0.349 nan 8.360 nan 0.000 0.444 473 T N 3.491 118.077 114.554 0.054 0.000 2.879 473 T HA 0.324 4.696 4.350 0.038 0.000 0.290 473 T C -2.439 172.285 174.700 0.040 0.000 0.993 473 T CA -1.486 60.644 62.100 0.050 0.000 0.975 473 T CB 1.518 70.428 68.868 0.070 0.000 0.981 473 T HN 0.236 nan 8.240 nan 0.000 0.439 474 P HA 0.195 nan 4.420 nan 0.000 0.268 474 P C -2.345 174.962 177.300 0.012 0.000 1.208 474 P CA -1.022 62.086 63.100 0.013 0.000 0.777 474 P CB -0.246 31.457 31.700 0.005 0.000 0.875 475 P HA 0.287 nan 4.420 nan 0.000 0.271 475 P C -0.027 177.263 177.300 -0.017 0.000 1.233 475 P CA 0.304 63.392 63.100 -0.020 0.000 0.789 475 P CB 0.668 32.335 31.700 -0.056 0.000 0.951 476 G N -0.037 108.751 108.800 -0.021 0.000 2.428 476 G HA2 0.367 4.350 3.960 0.038 0.000 0.304 476 G HA3 0.367 4.350 3.960 0.038 0.000 0.304 476 G C -2.605 172.284 174.900 -0.019 0.000 1.303 476 G CA -0.692 44.399 45.100 -0.016 0.000 0.825 476 G HN 0.121 nan 8.290 nan 0.000 0.484 477 P HA 0.102 nan 4.420 nan 0.000 0.218 477 P C 0.113 177.407 177.300 -0.009 0.000 1.149 477 P CA 1.184 64.274 63.100 -0.016 0.000 0.817 477 P CB 0.160 31.853 31.700 -0.012 0.000 0.785 478 K N -1.305 119.097 120.400 0.003 0.000 2.523 478 K HA 0.391 4.734 4.320 0.038 0.000 0.257 478 K C -0.262 176.353 176.600 0.025 0.000 0.932 478 K CA -0.931 55.365 56.287 0.015 0.000 0.812 478 K CB 2.192 34.703 32.500 0.017 0.000 1.326 478 K HN -0.359 nan 8.250 nan 0.000 0.433 479 R N -0.500 120.023 120.500 0.038 0.000 3.770 479 R HA -0.134 4.229 4.340 0.038 0.000 0.305 479 R C -0.022 176.308 176.300 0.050 0.000 1.184 479 R CA 1.019 57.149 56.100 0.049 0.000 0.823 479 R CB -2.185 28.143 30.300 0.047 0.000 1.285 479 R HN 1.012 nan 8.270 nan 0.000 0.499 480 G N -0.826 107.999 108.800 0.042 0.000 2.488 480 G HA2 0.616 4.599 3.960 0.038 0.000 0.318 480 G HA3 0.616 4.599 3.960 0.038 0.000 0.318 480 G C 0.355 175.292 174.900 0.061 0.000 1.188 480 G CA 0.074 45.197 45.100 0.039 0.000 0.944 480 G HN 0.248 nan 8.290 nan 0.000 0.495 481 G N -1.171 107.667 108.800 0.063 0.000 2.544 481 G HA2 0.379 4.362 3.960 0.038 0.000 0.242 481 G HA3 0.379 4.362 3.960 0.038 0.000 0.242 481 G C -0.562 174.403 174.900 0.109 0.000 1.247 481 G CA -0.471 44.689 45.100 0.100 0.000 0.840 481 G HN 0.448 nan 8.290 nan 0.000 0.578 482 F N 0.501 120.466 119.950 0.025 0.000 2.495 482 F HA 0.376 4.926 4.527 0.039 0.000 0.365 482 F C 0.584 176.399 175.800 0.024 0.000 1.090 482 F CA -0.097 57.913 58.000 0.017 0.000 1.235 482 F CB 0.874 39.888 39.000 0.023 0.000 1.119 482 F HN 0.459 nan 8.300 nan 0.000 0.562 483 E N 3.907 123.782 120.200 -0.542 0.000 2.256 483 E HA 0.317 4.690 4.350 0.038 0.000 0.268 483 E C -1.187 175.071 176.600 -0.569 0.000 0.877 483 E CA -0.781 55.431 56.400 -0.312 0.000 0.757 483 E CB 1.583 31.176 29.700 -0.178 0.000 1.183 483 E HN 0.610 nan 8.360 nan 0.000 0.418 484 S N 2.442 118.031 115.700 -0.186 0.000 2.576 484 S HA 0.028 4.521 4.470 0.038 0.000 0.276 484 S C -0.610 173.966 174.600 -0.040 0.000 1.339 484 S CA -0.365 57.805 58.200 -0.050 0.000 1.039 484 S CB 0.178 63.485 63.200 0.178 0.000 0.902 484 S HN 0.468 nan 8.310 nan 0.000 0.516 485 Y N 2.513 122.738 120.300 -0.125 0.000 2.526 485 Y HA 0.016 4.589 4.550 0.038 0.000 0.330 485 Y C 0.832 176.708 175.900 -0.041 0.000 1.156 485 Y CA 0.035 58.075 58.100 -0.100 0.000 1.419 485 Y CB 0.198 38.593 38.460 -0.108 0.000 1.250 485 Y HN 0.586 nan 8.280 nan 0.000 0.540 486 Q N 5.308 124.734 119.800 -0.623 0.000 3.223 486 Q HA 0.000 4.363 4.340 0.038 0.000 0.299 486 Q C -0.175 175.504 176.000 -0.534 0.000 1.385 486 Q CA 0.011 55.551 55.803 -0.438 0.000 0.942 486 Q CB -0.231 28.320 28.738 -0.312 0.000 1.748 486 Q HN 0.657 nan 8.270 nan 0.000 0.523 487 E N 1.487 121.456 120.200 -0.385 0.000 2.398 487 E HA 0.020 4.392 4.350 0.038 0.000 0.263 487 E C -0.126 176.434 176.600 -0.066 0.000 1.046 487 E CA -0.557 55.750 56.400 -0.155 0.000 0.908 487 E CB 0.673 30.434 29.700 0.101 0.000 0.963 487 E HN 0.165 nan 8.360 nan 0.000 0.431 488 R N 2.878 123.368 120.500 -0.017 0.000 2.389 488 R HA 0.236 4.599 4.340 0.038 0.000 0.295 488 R C -1.597 174.723 176.300 0.034 0.000 1.075 488 R CA -0.264 55.838 56.100 0.003 0.000 1.005 488 R CB 0.883 31.196 30.300 0.021 0.000 0.987 488 R HN 0.257 nan 8.270 nan 0.000 0.452 489 V N 4.681 124.609 119.914 0.022 0.000 2.540 489 V HA 0.482 4.624 4.120 0.038 0.000 0.302 489 V C -0.576 175.530 176.094 0.021 0.000 1.035 489 V CA -0.630 61.688 62.300 0.030 0.000 0.873 489 V CB 1.475 33.312 31.823 0.025 0.000 0.992 489 V HN 0.914 nan 8.190 nan 0.000 0.428 490 E N 2.819 123.034 120.200 0.024 0.000 2.311 490 E HA 0.654 5.027 4.350 0.038 0.000 0.281 490 E C -0.456 176.149 176.600 0.009 0.000 0.905 490 E CA -0.019 56.390 56.400 0.014 0.000 0.778 490 E CB 2.063 31.772 29.700 0.015 0.000 1.240 490 E HN 1.035 nan 8.360 nan 0.000 0.410 491 G N 2.664 111.464 108.800 0.001 0.000 2.359 491 G HA2 0.041 4.024 3.960 0.038 0.000 0.293 491 G HA3 0.041 4.024 3.960 0.038 0.000 0.293 491 G C -1.474 173.420 174.900 -0.010 0.000 1.300 491 G CA -0.975 44.122 45.100 -0.006 0.000 0.888 491 G HN 0.441 nan 8.290 nan 0.000 0.541 492 N N 0.170 118.861 118.700 -0.016 0.000 2.476 492 N HA 0.363 5.126 4.740 0.038 0.000 0.275 492 N C -0.118 175.378 175.510 -0.022 0.000 1.190 492 N CA -0.338 52.701 53.050 -0.018 0.000 0.977 492 N CB 0.863 39.338 38.487 -0.019 0.000 1.200 492 N HN 0.521 nan 8.380 nan 0.000 0.515 493 K N 0.851 121.237 120.400 -0.023 0.000 2.361 493 K HA 0.162 4.505 4.320 0.038 0.000 0.283 493 K C -0.338 176.240 176.600 -0.036 0.000 1.078 493 K CA -0.078 56.191 56.287 -0.029 0.000 1.041 493 K CB -0.247 32.237 32.500 -0.027 0.000 0.932 493 K HN 0.341 nan 8.250 nan 0.000 0.462 494 V N 0.224 120.112 119.914 -0.044 0.000 2.925 494 V HA 0.471 4.614 4.120 0.038 0.000 0.311 494 V C -0.552 175.502 176.094 -0.067 0.000 1.104 494 V CA -1.358 60.911 62.300 -0.051 0.000 0.954 494 V CB 2.025 33.819 31.823 -0.048 0.000 1.022 494 V HN 0.611 nan 8.190 nan 0.000 0.427 495 R N 2.372 122.829 120.500 -0.073 0.000 2.369 495 R HA 0.609 4.972 4.340 0.038 0.000 0.310 495 R C -0.518 175.734 176.300 -0.079 0.000 1.141 495 R CA -0.151 55.894 56.100 -0.092 0.000 1.116 495 R CB 0.873 31.104 30.300 -0.115 0.000 1.135 495 R HN 0.942 nan 8.270 nan 0.000 0.529 496 E N 2.059 122.209 120.200 -0.085 0.000 2.304 496 E HA 0.238 4.610 4.350 0.038 0.000 0.277 496 E C -1.255 175.278 176.600 -0.112 0.000 0.898 496 E CA -1.021 55.331 56.400 -0.079 0.000 0.764 496 E CB 1.554 31.214 29.700 -0.068 0.000 1.216 496 E HN 0.131 nan 8.360 nan 0.000 0.419 497 R N 1.826 122.265 120.500 -0.102 0.000 2.390 497 R HA 0.231 4.594 4.340 0.038 0.000 0.291 497 R C -0.558 175.627 176.300 -0.192 0.000 1.070 497 R CA 0.047 56.049 56.100 -0.163 0.000 1.014 497 R CB 1.228 31.491 30.300 -0.061 0.000 1.007 497 R HN 0.398 nan 8.270 nan 0.000 0.466 498 S N 4.894 120.366 115.700 -0.380 0.000 2.537 498 S HA 0.112 4.605 4.470 0.038 0.000 0.286 498 S C -1.533 173.041 174.600 -0.043 0.000 1.299 498 S CA -1.247 56.814 58.200 -0.232 0.000 1.067 498 S CB 0.670 63.666 63.200 -0.340 0.000 0.864 498 S HN 0.544 nan 8.310 nan 0.000 0.494 499 P HA -0.152 nan 4.420 nan 0.000 0.216 499 P C 1.667 179.023 177.300 0.093 0.000 1.150 499 P CA 1.527 64.651 63.100 0.040 0.000 0.843 499 P CB -0.138 31.575 31.700 0.021 0.000 0.787 500 S N -1.876 113.915 115.700 0.151 0.000 2.440 500 S HA -0.171 4.322 4.470 0.038 0.000 0.240 500 S C 1.501 176.267 174.600 0.277 0.000 1.014 500 S CA 1.093 59.417 58.200 0.207 0.000 0.980 500 S CB -1.504 61.853 63.200 0.262 0.000 0.775 500 S HN -0.015 nan 8.310 nan 0.000 0.499 501 F N 2.078 122.020 119.950 -0.014 0.000 2.797 501 F HA 0.389 4.939 4.527 0.038 0.000 0.302 501 F C 1.964 177.691 175.800 -0.121 0.000 1.130 501 F CA -0.696 57.290 58.000 -0.023 0.000 1.387 501 F CB -0.555 38.465 39.000 0.034 0.000 1.107 501 F HN 0.353 nan 8.300 nan 0.000 0.577 502 G N 0.502 109.296 108.800 -0.010 0.000 3.574 502 G HA2 0.104 4.087 3.960 0.038 0.000 0.262 502 G HA3 0.104 4.087 3.960 0.038 0.000 0.262 502 G C -0.087 174.419 174.900 -0.658 0.000 1.231 502 G CA 0.093 45.017 45.100 -0.293 0.000 1.608 502 G HN 0.051 nan 8.290 nan 0.000 0.628 503 E N 0.232 119.946 120.200 -0.810 0.000 2.260 503 E HA 0.296 4.669 4.350 0.038 0.000 0.266 503 E C -0.866 175.289 176.600 -0.741 0.000 0.887 503 E CA -0.746 55.252 56.400 -0.670 0.000 0.777 503 E CB 1.478 31.032 29.700 -0.243 0.000 1.205 503 E HN 0.224 nan 8.360 nan 0.000 0.414 504 Y N 2.681 122.770 120.300 -0.351 0.000 2.453 504 Y HA 0.198 4.771 4.550 0.038 0.000 0.247 504 Y C 0.708 176.325 175.900 -0.472 0.000 1.124 504 Y CA -0.051 57.733 58.100 -0.527 0.000 1.243 504 Y CB 0.454 38.449 38.460 -0.776 0.000 1.213 504 Y HN 0.439 nan 8.280 nan 0.000 0.523 505 Y N -1.614 118.765 120.300 0.132 0.000 2.467 505 Y HA 0.094 4.667 4.550 0.038 0.000 0.259 505 Y C 2.353 178.312 175.900 0.098 0.000 1.084 505 Y CA 0.171 58.346 58.100 0.126 0.000 1.275 505 Y CB -0.198 38.342 38.460 0.133 0.000 1.208 505 Y HN 0.054 nan 8.280 nan 0.000 0.511 506 S N -1.000 114.828 115.700 0.213 0.000 2.406 506 S HA -0.147 4.346 4.470 0.038 0.000 0.228 506 S C 1.376 176.051 174.600 0.124 0.000 1.020 506 S CA 1.329 59.637 58.200 0.181 0.000 0.965 506 S CB -0.446 62.862 63.200 0.180 0.000 0.798 506 S HN 0.408 nan 8.310 nan 0.000 0.488 507 H N 2.622 121.603 119.070 -0.149 0.000 2.372 507 H HA 0.230 4.809 4.556 0.038 0.000 0.301 507 H C -0.696 174.439 175.328 -0.322 0.000 1.065 507 H CA 1.079 56.889 56.048 -0.397 0.000 1.364 507 H CB -1.659 27.610 29.762 -0.823 0.000 1.406 507 H HN 0.363 nan 8.280 nan 0.000 0.521 508 P HA -0.192 nan 4.420 nan 0.000 0.216 508 P C 1.491 178.982 177.300 0.320 0.000 1.154 508 P CA 1.764 65.022 63.100 0.262 0.000 0.865 508 P CB 0.101 31.971 31.700 0.285 0.000 0.789 509 R N -0.503 120.131 120.500 0.223 0.000 2.075 509 R HA -0.117 4.246 4.340 0.038 0.000 0.232 509 R C 2.186 178.618 176.300 0.219 0.000 1.126 509 R CA 1.145 57.379 56.100 0.224 0.000 0.963 509 R CB -1.053 29.341 30.300 0.157 0.000 0.858 509 R HN 0.074 nan 8.270 nan 0.000 0.435 510 L N 0.426 121.719 121.223 0.117 0.000 2.017 510 L HA -0.132 4.231 4.340 0.038 0.000 0.208 510 L C 2.022 178.951 176.870 0.098 0.000 1.073 510 L CA 1.736 56.608 54.840 0.053 0.000 0.745 510 L CB -0.704 41.308 42.059 -0.079 0.000 0.894 510 L HN 0.228 nan 8.230 nan 0.000 0.432 511 F N -0.474 119.509 119.950 0.055 0.000 2.069 511 F HA -0.312 4.238 4.527 0.038 0.000 0.298 511 F C 2.336 178.145 175.800 0.016 0.000 1.113 511 F CA 2.411 60.432 58.000 0.035 0.000 1.214 511 F CB -0.669 38.403 39.000 0.119 0.000 0.978 511 F HN 0.420 nan 8.300 nan 0.000 0.474 512 W N 1.354 122.641 121.300 -0.022 0.000 2.355 512 W HA -0.227 4.455 4.660 0.038 0.000 0.309 512 W C 1.780 178.186 176.519 -0.190 0.000 1.206 512 W CA 1.701 58.984 57.345 -0.103 0.000 1.284 512 W CB -0.751 28.745 29.460 0.060 0.000 1.145 512 W HN 0.103 nan 8.180 nan 0.000 0.502 513 L N 1.245 122.413 121.223 -0.093 0.000 2.275 513 L HA -0.177 4.185 4.340 0.038 0.000 0.215 513 L C 2.401 179.087 176.870 -0.305 0.000 1.119 513 L CA 1.245 55.956 54.840 -0.215 0.000 0.790 513 L CB -0.735 41.318 42.059 -0.011 0.000 0.919 513 L HN -0.140 nan 8.230 nan 0.000 0.443 514 S N -1.502 114.000 115.700 -0.331 0.000 2.562 514 S HA 0.034 4.527 4.470 0.038 0.000 0.221 514 S C 0.731 175.051 174.600 -0.466 0.000 0.975 514 S CA 0.131 58.129 58.200 -0.336 0.000 0.918 514 S CB -0.000 63.036 63.200 -0.272 0.000 0.772 514 S HN 0.299 nan 8.310 nan 0.000 0.531 515 Q N 2.300 121.720 119.800 -0.632 0.000 2.299 515 Q HA 0.260 4.623 4.340 0.038 0.000 0.246 515 Q C 0.674 176.289 176.000 -0.642 0.000 0.935 515 Q CA -0.074 55.319 55.803 -0.684 0.000 0.887 515 Q CB 0.391 28.660 28.738 -0.783 0.000 1.223 515 Q HN 0.438 nan 8.270 nan 0.000 0.439 516 T N -1.513 112.622 114.554 -0.698 0.000 2.748 516 T HA 0.121 4.494 4.350 0.038 0.000 0.304 516 T C -1.724 172.518 174.700 -0.765 0.000 1.041 516 T CA -1.186 60.458 62.100 -0.760 0.000 1.033 516 T CB 0.246 68.392 68.868 -1.203 0.000 0.995 516 T HN 0.236 nan 8.240 nan 0.000 0.536 517 P HA 0.013 nan 4.420 nan 0.000 0.217 517 P C 1.352 178.452 177.300 -0.333 0.000 1.150 517 P CA 0.918 63.796 63.100 -0.369 0.000 0.832 517 P CB -0.229 31.372 31.700 -0.164 0.000 0.787 518 F N -0.356 119.400 119.950 -0.323 0.000 2.259 518 F HA 0.054 4.604 4.527 0.038 0.000 0.298 518 F C 1.826 177.269 175.800 -0.596 0.000 1.088 518 F CA 0.841 58.587 58.000 -0.425 0.000 1.358 518 F CB -1.546 37.192 39.000 -0.437 0.000 1.040 518 F HN -0.110 nan 8.300 nan 0.000 0.505 519 E N 0.555 120.226 120.200 -0.882 0.000 2.106 519 E HA -0.199 4.174 4.350 0.038 0.000 0.192 519 E C 2.218 178.621 176.600 -0.329 0.000 0.984 519 E CA 1.327 57.401 56.400 -0.545 0.000 0.806 519 E CB -0.262 29.064 29.700 -0.625 0.000 0.750 519 E HN 0.614 nan 8.360 nan 0.000 0.458 520 Q N 0.276 119.799 119.800 -0.461 0.000 2.084 520 Q HA -0.210 4.152 4.340 0.038 0.000 0.202 520 Q C 2.237 178.258 176.000 0.035 0.000 0.978 520 Q CA 1.310 56.870 55.803 -0.405 0.000 0.844 520 Q CB -0.123 28.082 28.738 -0.888 0.000 0.898 520 Q HN -0.006 nan 8.270 nan 0.000 0.426 521 R N 0.460 120.951 120.500 -0.014 0.000 2.073 521 R HA -0.157 4.206 4.340 0.038 0.000 0.234 521 R C 1.606 178.078 176.300 0.285 0.000 1.134 521 R CA 1.973 58.158 56.100 0.141 0.000 0.952 521 R CB -0.554 29.805 30.300 0.099 0.000 0.850 521 R HN 0.475 nan 8.270 nan 0.000 0.433 522 H N -0.808 118.352 119.070 0.151 0.000 2.421 522 H HA -0.019 4.560 4.556 0.038 0.000 0.298 522 H C 1.996 177.438 175.328 0.191 0.000 1.087 522 H CA 1.145 57.297 56.048 0.173 0.000 1.330 522 H CB 0.010 29.879 29.762 0.178 0.000 1.388 522 H HN 0.194 nan 8.280 nan 0.000 0.526 523 I N 0.076 120.862 120.570 0.360 0.000 2.163 523 I HA -0.248 3.945 4.170 0.038 0.000 0.240 523 I C 2.304 178.716 176.117 0.491 0.000 1.081 523 I CA 0.725 62.278 61.300 0.422 0.000 1.353 523 I CB -0.156 38.188 38.000 0.574 0.000 1.054 523 I HN 0.070 nan 8.210 nan 0.000 0.407 524 V N 0.986 121.181 119.914 0.469 0.000 2.282 524 V HA -0.348 3.795 4.120 0.038 0.000 0.249 524 V C 2.024 178.293 176.094 0.293 0.000 1.057 524 V CA 2.187 64.704 62.300 0.362 0.000 1.032 524 V CB -0.688 31.311 31.823 0.292 0.000 0.645 524 V HN 0.434 nan 8.190 nan 0.000 0.447 525 D N 0.175 120.731 120.400 0.259 0.000 2.178 525 D HA -0.068 4.595 4.640 0.038 0.000 0.202 525 D C 2.157 178.533 176.300 0.127 0.000 0.974 525 D CA 1.416 55.533 54.000 0.195 0.000 0.841 525 D CB -0.534 40.384 40.800 0.196 0.000 0.953 525 D HN 0.482 nan 8.370 nan 0.000 0.478 526 G N 0.211 109.067 108.800 0.094 0.000 2.433 526 G HA2 -0.253 3.729 3.960 0.038 0.000 0.216 526 G HA3 -0.253 3.729 3.960 0.038 0.000 0.216 526 G C 1.459 176.353 174.900 -0.011 0.000 1.186 526 G CA 0.214 45.272 45.100 -0.070 0.000 0.779 526 G HN 0.166 nan 8.290 nan 0.000 0.543 527 F N 1.743 121.722 119.950 0.049 0.000 2.126 527 F HA -0.091 4.459 4.527 0.038 0.000 0.299 527 F C 3.188 178.892 175.800 -0.161 0.000 1.096 527 F CA 1.666 59.623 58.000 -0.073 0.000 1.255 527 F CB -0.335 38.633 39.000 -0.053 0.000 0.997 527 F HN 0.088 nan 8.300 nan 0.000 0.479 528 S N -0.222 115.571 115.700 0.154 0.000 2.355 528 S HA -0.197 4.296 4.470 0.038 0.000 0.222 528 S C 1.864 176.486 174.600 0.037 0.000 1.031 528 S CA 1.218 59.456 58.200 0.064 0.000 0.993 528 S CB -0.751 62.512 63.200 0.105 0.000 0.859 528 S HN 0.390 nan 8.310 nan 0.000 0.453 529 F N 2.667 122.576 119.950 -0.068 0.000 2.075 529 F HA -0.121 4.428 4.527 0.037 0.000 0.297 529 F C 2.394 178.126 175.800 -0.113 0.000 1.113 529 F CA 1.573 59.522 58.000 -0.086 0.000 1.218 529 F CB -0.326 38.572 39.000 -0.170 0.000 0.984 529 F HN 0.116 nan 8.300 nan 0.000 0.472 530 E N 0.594 120.781 120.200 -0.022 0.000 2.085 530 E HA -0.238 4.135 4.350 0.038 0.000 0.194 530 E C 2.343 178.747 176.600 -0.327 0.000 0.994 530 E CA 1.793 58.135 56.400 -0.096 0.000 0.801 530 E CB -0.576 29.196 29.700 0.120 0.000 0.743 530 E HN 0.491 nan 8.360 nan 0.000 0.453 531 L N 0.832 121.783 121.223 -0.453 0.000 2.217 531 L HA -0.093 4.270 4.340 0.038 0.000 0.211 531 L C 2.441 179.150 176.870 -0.269 0.000 1.107 531 L CA 0.485 55.044 54.840 -0.467 0.000 0.783 531 L CB -0.158 41.643 42.059 -0.431 0.000 0.919 531 L HN -0.007 nan 8.230 nan 0.000 0.442 532 S N -0.299 115.256 115.700 -0.242 0.000 2.419 532 S HA -0.095 4.398 4.470 0.038 0.000 0.233 532 S C 1.703 176.188 174.600 -0.191 0.000 1.016 532 S CA 0.972 59.055 58.200 -0.196 0.000 0.974 532 S CB -0.064 63.014 63.200 -0.203 0.000 0.786 532 S HN 0.307 nan 8.310 nan 0.000 0.492 533 K N 1.210 121.469 120.400 -0.235 0.000 2.487 533 K HA 0.206 4.549 4.320 0.038 0.000 0.192 533 K C 0.084 176.677 176.600 -0.012 0.000 1.027 533 K CA 0.090 56.302 56.287 -0.125 0.000 1.054 533 K CB -0.249 32.169 32.500 -0.136 0.000 0.824 533 K HN 0.211 nan 8.250 nan 0.000 0.510 534 V N 2.122 122.010 119.914 -0.043 0.000 2.455 534 V HA 0.003 4.146 4.120 0.038 0.000 0.273 534 V C 1.739 177.820 176.094 -0.022 0.000 1.045 534 V CA -0.114 62.190 62.300 0.006 0.000 0.976 534 V CB 1.405 33.204 31.823 -0.040 0.000 0.993 534 V HN -0.131 nan 8.190 nan 0.000 0.475 535 V N 5.177 125.100 119.914 0.015 0.000 2.453 535 V HA -0.047 4.096 4.120 0.038 0.000 0.247 535 V C 1.291 177.370 176.094 -0.024 0.000 1.048 535 V CA 1.322 63.626 62.300 0.008 0.000 1.049 535 V CB -0.472 31.375 31.823 0.039 0.000 0.672 535 V HN 0.759 nan 8.190 nan 0.000 0.457 536 R N 0.683 121.140 120.500 -0.073 0.000 2.210 536 R HA 0.213 4.576 4.340 0.038 0.000 0.338 536 R C -1.787 174.385 176.300 -0.214 0.000 1.062 536 R CA -1.501 54.523 56.100 -0.127 0.000 0.902 536 R CB 0.746 30.907 30.300 -0.231 0.000 1.050 536 R HN 0.208 nan 8.270 nan 0.000 0.461 537 P HA -0.208 nan 4.420 nan 0.000 0.216 537 P C 0.750 178.007 177.300 -0.071 0.000 1.150 537 P CA 1.149 64.216 63.100 -0.056 0.000 0.837 537 P CB 0.010 31.720 31.700 0.016 0.000 0.786 538 Y N -1.304 118.998 120.300 0.005 0.000 2.315 538 Y HA -0.126 4.446 4.550 0.038 0.000 0.288 538 Y C 1.901 177.811 175.900 0.015 0.000 1.154 538 Y CA 0.798 58.902 58.100 0.006 0.000 1.229 538 Y CB -1.795 36.669 38.460 0.006 0.000 0.980 538 Y HN -0.084 nan 8.280 nan 0.000 0.540 539 I N 0.862 121.026 120.570 -0.676 0.000 2.252 539 I HA -0.240 3.953 4.170 0.038 0.000 0.245 539 I C 2.527 178.565 176.117 -0.132 0.000 1.102 539 I CA 1.369 62.448 61.300 -0.368 0.000 1.385 539 I CB -0.401 37.379 38.000 -0.366 0.000 1.064 539 I HN 0.204 nan 8.210 nan 0.000 0.414 540 R N 0.953 121.364 120.500 -0.149 0.000 2.083 540 R HA -0.194 4.169 4.340 0.038 0.000 0.237 540 R C 2.129 178.387 176.300 -0.070 0.000 1.137 540 R CA 1.596 57.624 56.100 -0.120 0.000 0.951 540 R CB -0.488 29.735 30.300 -0.128 0.000 0.851 540 R HN 0.464 nan 8.270 nan 0.000 0.434 541 E N 0.556 120.735 120.200 -0.035 0.000 2.085 541 E HA -0.190 4.183 4.350 0.038 0.000 0.194 541 E C 2.160 178.771 176.600 0.018 0.000 0.994 541 E CA 1.164 57.564 56.400 -0.000 0.000 0.801 541 E CB -0.091 29.630 29.700 0.035 0.000 0.743 541 E HN 0.303 nan 8.360 nan 0.000 0.453 542 R N 0.349 120.875 120.500 0.044 0.000 2.096 542 R HA -0.100 4.263 4.340 0.038 0.000 0.235 542 R C 2.411 178.743 176.300 0.053 0.000 1.127 542 R CA 1.116 57.254 56.100 0.064 0.000 0.968 542 R CB -0.239 30.119 30.300 0.097 0.000 0.861 542 R HN 0.065 nan 8.270 nan 0.000 0.440 543 V N 0.278 120.219 119.914 0.046 0.000 2.379 543 V HA -0.168 3.975 4.120 0.038 0.000 0.245 543 V C 2.298 178.384 176.094 -0.013 0.000 1.044 543 V CA 1.297 63.639 62.300 0.071 0.000 1.036 543 V CB -0.206 31.688 31.823 0.119 0.000 0.664 543 V HN 0.105 nan 8.190 nan 0.000 0.453 544 V N 0.634 120.512 119.914 -0.061 0.000 2.332 544 V HA -0.347 3.796 4.120 0.038 0.000 0.248 544 V C 2.325 178.384 176.094 -0.058 0.000 1.055 544 V CA 2.542 64.783 62.300 -0.099 0.000 1.038 544 V CB -0.723 31.047 31.823 -0.090 0.000 0.651 544 V HN 0.651 nan 8.190 nan 0.000 0.450 545 D N -0.723 119.674 120.400 -0.004 0.000 2.116 545 D HA -0.216 4.447 4.640 0.038 0.000 0.193 545 D C 2.281 178.659 176.300 0.130 0.000 0.998 545 D CA 1.339 55.370 54.000 0.051 0.000 0.836 545 D CB -0.040 40.806 40.800 0.077 0.000 0.951 545 D HN 0.360 nan 8.370 nan 0.000 0.449 546 Q N -0.188 119.665 119.800 0.089 0.000 2.084 546 Q HA -0.110 4.253 4.340 0.038 0.000 0.202 546 Q C 2.610 178.648 176.000 0.063 0.000 0.978 546 Q CA 0.743 56.612 55.803 0.110 0.000 0.844 546 Q CB -0.412 28.410 28.738 0.140 0.000 0.898 546 Q HN 0.467 nan 8.270 nan 0.000 0.426 547 L N 0.085 121.276 121.223 -0.053 0.000 2.083 547 L HA -0.136 4.227 4.340 0.038 0.000 0.209 547 L C 2.353 179.115 176.870 -0.180 0.000 1.083 547 L CA 1.034 55.764 54.840 -0.182 0.000 0.752 547 L CB -0.686 41.158 42.059 -0.358 0.000 0.899 547 L HN 0.107 nan 8.230 nan 0.000 0.433 548 A N -0.840 121.897 122.820 -0.140 0.000 2.121 548 A HA -0.189 4.154 4.320 0.038 0.000 0.218 548 A C 1.757 179.176 177.584 -0.276 0.000 1.154 548 A CA 1.127 53.048 52.037 -0.193 0.000 0.679 548 A CB -0.719 18.176 19.000 -0.176 0.000 0.795 548 A HN 0.437 nan 8.150 nan 0.000 0.458 549 H N -1.301 117.570 119.070 -0.331 0.000 2.547 549 H HA 0.239 4.817 4.556 0.038 0.000 0.272 549 H C 1.548 176.599 175.328 -0.461 0.000 0.989 549 H CA 1.097 56.806 56.048 -0.564 0.000 1.214 549 H CB 0.086 29.125 29.762 -1.205 0.000 1.389 549 H HN 0.503 nan 8.280 nan 0.000 0.577 550 I N -1.352 119.128 120.570 -0.150 0.000 2.900 550 I HA 0.086 4.279 4.170 0.038 0.000 0.251 550 I C -0.172 175.880 176.117 -0.109 0.000 1.102 550 I CA 0.374 61.653 61.300 -0.034 0.000 1.457 550 I CB 0.768 38.777 38.000 0.014 0.000 1.285 550 I HN 0.083 nan 8.210 nan 0.000 0.459 551 D N -0.419 119.843 120.400 -0.231 0.000 2.931 551 D HA 0.162 4.825 4.640 0.038 0.000 0.215 551 D C 0.278 176.412 176.300 -0.276 0.000 1.297 551 D CA -0.362 53.482 54.000 -0.260 0.000 0.892 551 D CB 1.475 42.004 40.800 -0.451 0.000 1.642 551 D HN -0.038 nan 8.370 nan 0.000 0.560 552 L N 2.928 124.048 121.223 -0.171 0.000 2.083 552 L HA -0.081 4.282 4.340 0.038 0.000 0.209 552 L C 1.353 178.144 176.870 -0.132 0.000 1.083 552 L CA 1.769 56.522 54.840 -0.145 0.000 0.752 552 L CB -0.428 41.574 42.059 -0.094 0.000 0.899 552 L HN 0.587 nan 8.230 nan 0.000 0.433 553 T N 0.728 115.229 114.554 -0.088 0.000 2.708 553 T HA -0.213 4.160 4.350 0.038 0.000 0.266 553 T C 1.811 176.453 174.700 -0.097 0.000 1.037 553 T CA 1.625 63.715 62.100 -0.016 0.000 1.146 553 T CB -0.344 68.605 68.868 0.136 0.000 0.865 553 T HN 0.302 nan 8.240 nan 0.000 0.435 554 L N 1.775 122.779 121.223 -0.365 0.000 1.990 554 L HA -0.080 4.283 4.340 0.038 0.000 0.213 554 L C 2.591 179.237 176.870 -0.373 0.000 1.072 554 L CA 2.331 56.788 54.840 -0.637 0.000 0.755 554 L CB -1.179 40.076 42.059 -1.341 0.000 0.889 554 L HN 0.218 nan 8.230 nan 0.000 0.432 555 A N -1.236 121.378 122.820 -0.342 0.000 1.908 555 A HA -0.267 4.075 4.320 0.038 0.000 0.218 555 A C 2.259 179.743 177.584 -0.166 0.000 1.181 555 A CA 1.980 53.863 52.037 -0.257 0.000 0.627 555 A CB -0.686 18.183 19.000 -0.219 0.000 0.818 555 A HN 0.715 nan 8.150 nan 0.000 0.445 556 Q N -0.991 118.734 119.800 -0.124 0.000 2.119 556 Q HA -0.046 4.317 4.340 0.038 0.000 0.201 556 Q C 2.437 178.408 176.000 -0.048 0.000 0.972 556 Q CA 1.164 56.924 55.803 -0.073 0.000 0.847 556 Q CB -0.322 28.387 28.738 -0.048 0.000 0.903 556 Q HN 0.693 nan 8.270 nan 0.000 0.433 557 A N 0.133 122.930 122.820 -0.038 0.000 1.902 557 A HA -0.140 4.203 4.320 0.038 0.000 0.217 557 A C 2.269 179.853 177.584 0.000 0.000 1.181 557 A CA 1.297 53.339 52.037 0.008 0.000 0.623 557 A CB -0.643 18.393 19.000 0.060 0.000 0.818 557 A HN 0.215 nan 8.150 nan 0.000 0.443 558 V N -0.089 119.797 119.914 -0.047 0.000 2.295 558 V HA -0.246 3.897 4.120 0.038 0.000 0.246 558 V C 3.075 179.135 176.094 -0.055 0.000 1.049 558 V CA 1.898 64.166 62.300 -0.053 0.000 1.024 558 V CB -1.333 30.404 31.823 -0.144 0.000 0.648 558 V HN 0.617 nan 8.190 nan 0.000 0.447 559 A N 0.009 122.785 122.820 -0.073 0.000 1.892 559 A HA -0.336 4.007 4.320 0.038 0.000 0.218 559 A C 2.336 179.902 177.584 -0.031 0.000 1.188 559 A CA 2.531 54.533 52.037 -0.057 0.000 0.631 559 A CB -0.578 18.387 19.000 -0.059 0.000 0.822 559 A HN 0.562 nan 8.150 nan 0.000 0.447 560 K N -0.525 119.864 120.400 -0.018 0.000 2.063 560 K HA -0.200 4.142 4.320 0.038 0.000 0.208 560 K C 1.613 178.217 176.600 0.008 0.000 1.048 560 K CA 1.687 57.973 56.287 -0.001 0.000 0.928 560 K CB -0.223 32.284 32.500 0.010 0.000 0.713 560 K HN 0.431 nan 8.250 nan 0.000 0.442 561 N N 0.700 119.408 118.700 0.014 0.000 2.289 561 N HA -0.115 4.648 4.740 0.038 0.000 0.184 561 N C 1.373 176.886 175.510 0.006 0.000 1.016 561 N CA 0.949 54.013 53.050 0.024 0.000 0.872 561 N CB 0.013 38.527 38.487 0.045 0.000 0.973 561 N HN 0.285 nan 8.380 nan 0.000 0.433 562 L N -0.986 120.228 121.223 -0.014 0.000 2.607 562 L HA 0.248 4.610 4.340 0.038 0.000 0.228 562 L C 1.023 177.880 176.870 -0.021 0.000 1.123 562 L CA 0.049 54.871 54.840 -0.029 0.000 0.890 562 L CB -0.131 41.896 42.059 -0.054 0.000 1.103 562 L HN 0.094 nan 8.230 nan 0.000 0.468 563 G N 1.471 110.264 108.800 -0.011 0.000 2.176 563 G HA2 -0.281 3.702 3.960 0.038 0.000 0.252 563 G HA3 -0.281 3.702 3.960 0.038 0.000 0.252 563 G C -0.008 174.885 174.900 -0.011 0.000 1.024 563 G CA 0.021 45.116 45.100 -0.007 0.000 0.755 563 G HN 0.310 nan 8.290 nan 0.000 0.507 564 I N 0.078 120.637 120.570 -0.018 0.000 2.441 564 I HA 0.412 4.605 4.170 0.038 0.000 0.295 564 I C 0.204 176.308 176.117 -0.021 0.000 0.994 564 I CA -0.694 60.594 61.300 -0.021 0.000 1.144 564 I CB 1.695 39.677 38.000 -0.031 0.000 1.314 564 I HN 0.065 nan 8.210 nan 0.000 0.445 565 E N 6.117 126.307 120.200 -0.018 0.000 2.151 565 E HA 0.437 4.810 4.350 0.038 0.000 0.275 565 E C -1.018 175.567 176.600 -0.024 0.000 0.936 565 E CA -0.752 55.637 56.400 -0.019 0.000 0.777 565 E CB 1.920 31.612 29.700 -0.013 0.000 1.108 565 E HN 0.415 nan 8.360 nan 0.000 0.401 566 L N 2.935 124.139 121.223 -0.033 0.000 2.453 566 L HA 0.088 4.450 4.340 0.038 0.000 0.272 566 L C 1.149 177.999 176.870 -0.033 0.000 1.182 566 L CA -0.151 54.665 54.840 -0.040 0.000 0.858 566 L CB 0.050 42.076 42.059 -0.054 0.000 1.120 566 L HN 0.635 nan 8.230 nan 0.000 0.474 567 T N -2.074 112.460 114.554 -0.032 0.000 2.766 567 T HA 0.041 4.414 4.350 0.038 0.000 0.295 567 T C 0.708 175.388 174.700 -0.034 0.000 1.024 567 T CA -0.716 61.368 62.100 -0.027 0.000 1.018 567 T CB 0.965 69.820 68.868 -0.022 0.000 1.002 567 T HN 0.508 nan 8.240 nan 0.000 0.532 568 D N 0.361 120.744 120.400 -0.028 0.000 2.117 568 D HA -0.058 4.605 4.640 0.038 0.000 0.197 568 D C 1.768 178.043 176.300 -0.041 0.000 0.987 568 D CA 1.093 55.074 54.000 -0.031 0.000 0.829 568 D CB -0.330 40.456 40.800 -0.023 0.000 0.961 568 D HN 0.593 nan 8.370 nan 0.000 0.460 569 D N 0.441 120.818 120.400 -0.038 0.000 2.104 569 D HA -0.152 4.511 4.640 0.038 0.000 0.194 569 D C 2.083 178.337 176.300 -0.078 0.000 0.994 569 D CA 0.892 54.863 54.000 -0.048 0.000 0.830 569 D CB -0.322 40.457 40.800 -0.034 0.000 0.959 569 D HN 0.341 nan 8.370 nan 0.000 0.452 570 Q N -0.420 119.333 119.800 -0.078 0.000 2.124 570 Q HA -0.100 4.263 4.340 0.038 0.000 0.202 570 Q C 1.858 177.783 176.000 -0.125 0.000 0.977 570 Q CA 0.505 56.239 55.803 -0.116 0.000 0.850 570 Q CB -0.013 28.671 28.738 -0.090 0.000 0.901 570 Q HN 0.171 nan 8.270 nan 0.000 0.429 571 L N 0.464 121.634 121.223 -0.088 0.000 2.353 571 L HA -0.130 4.233 4.340 0.038 0.000 0.220 571 L C 0.576 177.397 176.870 -0.082 0.000 1.133 571 L CA 1.635 56.428 54.840 -0.078 0.000 0.798 571 L CB -0.399 41.628 42.059 -0.054 0.000 0.922 571 L HN 0.218 nan 8.230 nan 0.000 0.445 572 N N -1.790 116.856 118.700 -0.090 0.000 2.200 572 N HA 0.229 4.991 4.740 0.038 0.000 0.224 572 N C 0.033 175.481 175.510 -0.104 0.000 1.179 572 N CA -0.182 52.821 53.050 -0.080 0.000 0.877 572 N CB 0.678 39.130 38.487 -0.057 0.000 1.072 572 N HN 0.114 nan 8.380 nan 0.000 0.519 573 I N 1.818 122.291 120.570 -0.161 0.000 2.662 573 I HA -0.052 4.141 4.170 0.038 0.000 0.285 573 I C 0.320 176.339 176.117 -0.162 0.000 1.161 573 I CA 0.357 61.524 61.300 -0.221 0.000 1.415 573 I CB 0.296 38.035 38.000 -0.435 0.000 1.385 573 I HN 0.076 nan 8.210 nan 0.000 0.552 574 T N 8.311 122.798 114.554 -0.113 0.000 2.853 574 T HA 0.134 4.507 4.350 0.038 0.000 0.298 574 T C -1.962 172.699 174.700 -0.066 0.000 0.978 574 T CA -0.831 61.230 62.100 -0.066 0.000 1.152 574 T CB 0.004 68.854 68.868 -0.029 0.000 0.914 574 T HN 0.402 nan 8.240 nan 0.000 0.539 575 P HA 0.202 nan 4.420 nan 0.000 0.269 575 P C -2.302 175.010 177.300 0.021 0.000 1.215 575 P CA -1.368 61.717 63.100 -0.025 0.000 0.780 575 P CB -0.430 31.267 31.700 -0.005 0.000 0.898 576 P HA 0.253 nan 4.420 nan 0.000 0.272 576 P C -2.518 174.836 177.300 0.089 0.000 1.240 576 P CA -1.342 61.824 63.100 0.110 0.000 0.791 576 P CB -0.909 30.905 31.700 0.190 0.000 0.978 577 P HA 0.126 nan 4.420 nan 0.000 0.274 577 P C -0.537 176.812 177.300 0.082 0.000 1.246 577 P CA -0.088 63.058 63.100 0.077 0.000 0.795 577 P CB 0.031 31.778 31.700 0.079 0.000 1.006 578 D N -0.835 119.607 120.400 0.069 0.000 2.384 578 D HA 0.179 4.842 4.640 0.038 0.000 0.244 578 D C -0.467 175.882 176.300 0.083 0.000 1.251 578 D CA -0.388 53.650 54.000 0.064 0.000 0.961 578 D CB -0.139 40.691 40.800 0.050 0.000 1.116 578 D HN -0.039 nan 8.370 nan 0.000 0.484 579 V N 1.297 121.250 119.914 0.067 0.000 2.334 579 V HA 0.153 4.296 4.120 0.038 0.000 0.267 579 V C -0.102 176.086 176.094 0.155 0.000 1.040 579 V CA -0.744 61.625 62.300 0.116 0.000 0.866 579 V CB -0.525 31.275 31.823 -0.038 0.000 1.019 579 V HN 0.683 nan 8.190 nan 0.000 0.468 580 N N 4.470 123.282 118.700 0.188 0.000 2.714 580 N HA -0.228 4.535 4.740 0.038 0.000 0.252 580 N C 1.152 176.731 175.510 0.115 0.000 1.014 580 N CA 1.141 54.290 53.050 0.166 0.000 0.735 580 N CB -0.874 37.764 38.487 0.251 0.000 0.924 580 N HN 1.298 nan 8.380 nan 0.000 0.540 581 G N -2.190 106.661 108.800 0.086 0.000 2.176 581 G HA2 -0.318 3.664 3.960 0.038 0.000 0.253 581 G HA3 -0.318 3.664 3.960 0.038 0.000 0.253 581 G C 0.091 175.023 174.900 0.053 0.000 0.979 581 G CA 0.329 45.466 45.100 0.062 0.000 0.641 581 G HN 0.394 nan 8.290 nan 0.000 0.530 582 L N -0.051 121.207 121.223 0.058 0.000 2.326 582 L HA 0.505 4.868 4.340 0.038 0.000 0.278 582 L C 1.323 178.207 176.870 0.025 0.000 1.092 582 L CA -0.347 54.517 54.840 0.039 0.000 0.810 582 L CB 1.417 43.498 42.059 0.037 0.000 1.153 582 L HN 0.039 nan 8.230 nan 0.000 0.439 583 K N 2.524 122.933 120.400 0.015 0.000 2.387 583 K HA 0.174 4.516 4.320 0.038 0.000 0.203 583 K C -0.657 175.937 176.600 -0.010 0.000 1.030 583 K CA 0.005 56.298 56.287 0.010 0.000 1.099 583 K CB 0.594 33.100 32.500 0.011 0.000 0.863 583 K HN 0.565 nan 8.250 nan 0.000 0.529 584 K N -0.596 119.793 120.400 -0.018 0.000 2.870 584 K HA 0.183 4.526 4.320 0.038 0.000 0.290 584 K C -2.204 174.378 176.600 -0.031 0.000 1.070 584 K CA -0.947 55.314 56.287 -0.043 0.000 0.843 584 K CB 1.084 33.541 32.500 -0.072 0.000 1.475 584 K HN -0.228 nan 8.250 nan 0.000 0.359 585 D N 1.548 121.923 120.400 -0.043 0.000 2.375 585 D HA 0.326 4.989 4.640 0.038 0.000 0.241 585 D C -2.228 174.055 176.300 -0.030 0.000 1.361 585 D CA -1.983 52.009 54.000 -0.013 0.000 0.995 585 D CB 2.176 42.987 40.800 0.020 0.000 1.312 585 D HN 0.231 nan 8.370 nan 0.000 0.576 586 P HA -0.090 nan 4.420 nan 0.000 0.225 586 P C 1.313 178.601 177.300 -0.020 0.000 1.148 586 P CA 0.810 63.879 63.100 -0.051 0.000 0.779 586 P CB 0.209 31.891 31.700 -0.030 0.000 0.780 587 S N -1.077 114.643 115.700 0.034 0.000 2.500 587 S HA -0.082 4.411 4.470 0.038 0.000 0.239 587 S C 1.633 176.311 174.600 0.129 0.000 0.989 587 S CA 0.868 59.124 58.200 0.094 0.000 0.951 587 S CB -1.367 61.914 63.200 0.134 0.000 0.759 587 S HN 0.158 nan 8.310 nan 0.000 0.523 588 L N 1.111 122.370 121.223 0.059 0.000 2.509 588 L HA 0.230 4.593 4.340 0.038 0.000 0.222 588 L C 1.374 178.132 176.870 -0.188 0.000 1.123 588 L CA 0.053 54.922 54.840 0.047 0.000 0.856 588 L CB -0.179 41.887 42.059 0.012 0.000 0.985 588 L HN 0.321 nan 8.230 nan 0.000 0.456 589 S N -0.338 115.244 115.700 -0.198 0.000 2.562 589 S HA 0.294 4.787 4.470 0.038 0.000 0.275 589 S C 1.093 175.570 174.600 -0.206 0.000 1.281 589 S CA -0.622 57.407 58.200 -0.285 0.000 1.045 589 S CB 1.339 64.374 63.200 -0.274 0.000 0.962 589 S HN 0.171 nan 8.310 nan 0.000 0.503 590 L N 3.367 124.394 121.223 -0.327 0.000 2.141 590 L HA -0.007 4.356 4.340 0.038 0.000 0.209 590 L C 0.802 177.397 176.870 -0.458 0.000 1.094 590 L CA 1.210 55.750 54.840 -0.499 0.000 0.763 590 L CB -0.268 41.185 42.059 -1.010 0.000 0.908 590 L HN 0.771 nan 8.230 nan 0.000 0.437 591 Y N -2.605 117.683 120.300 -0.019 0.000 2.448 591 Y HA 0.335 4.908 4.550 0.038 0.000 0.257 591 Y C 2.077 177.995 175.900 0.030 0.000 1.089 591 Y CA -0.169 57.974 58.100 0.071 0.000 1.245 591 Y CB -0.399 38.146 38.460 0.142 0.000 1.282 591 Y HN -0.058 nan 8.280 nan 0.000 0.529 592 A N 0.716 123.557 122.820 0.035 0.000 1.917 592 A HA -0.083 4.260 4.320 0.038 0.000 0.219 592 A C 0.882 178.500 177.584 0.057 0.000 1.182 592 A CA 1.263 53.295 52.037 -0.009 0.000 0.633 592 A CB -0.724 18.218 19.000 -0.095 0.000 0.819 592 A HN 0.298 nan 8.150 nan 0.000 0.448 593 I N 0.757 121.369 120.570 0.070 0.000 2.354 593 I HA 0.266 4.459 4.170 0.038 0.000 0.286 593 I C -2.586 173.603 176.117 0.119 0.000 1.007 593 I CA -2.209 59.140 61.300 0.081 0.000 1.167 593 I CB 1.726 39.760 38.000 0.057 0.000 1.320 593 I HN -0.010 nan 8.210 nan 0.000 0.458 594 P HA 0.071 nan 4.420 nan 0.000 0.267 594 P C -0.584 176.794 177.300 0.129 0.000 1.205 594 P CA 0.059 63.256 63.100 0.161 0.000 0.765 594 P CB 0.403 32.185 31.700 0.136 0.000 0.828 595 D N 1.221 121.706 120.400 0.141 0.000 2.837 595 D HA 0.156 4.819 4.640 0.038 0.000 0.340 595 D C 0.467 176.827 176.300 0.100 0.000 1.451 595 D CA -0.555 53.508 54.000 0.104 0.000 0.798 595 D CB -0.398 40.458 40.800 0.093 0.000 1.169 595 D HN 0.303 nan 8.370 nan 0.000 0.449 596 G N 0.077 108.945 108.800 0.114 0.000 2.491 596 G HA2 0.359 4.342 3.960 0.038 0.000 0.242 596 G HA3 0.359 4.342 3.960 0.038 0.000 0.242 596 G C -0.623 174.314 174.900 0.063 0.000 1.266 596 G CA -0.071 45.089 45.100 0.101 0.000 0.844 596 G HN 0.210 nan 8.290 nan 0.000 0.571 597 D N 0.703 121.132 120.400 0.049 0.000 2.763 597 D HA 0.144 4.807 4.640 0.038 0.000 0.235 597 D C 0.867 177.178 176.300 0.019 0.000 1.334 597 D CA -0.546 53.469 54.000 0.025 0.000 0.950 597 D CB 1.677 42.485 40.800 0.013 0.000 1.433 597 D HN 0.323 nan 8.370 nan 0.000 0.580 598 V N 1.859 121.777 119.914 0.007 0.000 3.541 598 V HA 0.257 4.400 4.120 0.038 0.000 0.267 598 V C 0.985 177.061 176.094 -0.031 0.000 1.213 598 V CA 0.155 62.454 62.300 -0.001 0.000 1.149 598 V CB -0.617 31.200 31.823 -0.009 0.000 0.822 598 V HN 0.375 nan 8.190 nan 0.000 0.462 599 K N 1.354 121.730 120.400 -0.041 0.000 2.447 599 K HA 0.405 4.748 4.320 0.038 0.000 0.281 599 K C 1.237 177.796 176.600 -0.068 0.000 1.031 599 K CA 1.002 57.243 56.287 -0.076 0.000 1.019 599 K CB 0.103 32.565 32.500 -0.064 0.000 0.918 599 K HN 0.705 nan 8.250 nan 0.000 0.476 600 G N 3.236 111.962 108.800 -0.123 0.000 2.175 600 G HA2 -0.217 3.766 3.960 0.038 0.000 0.244 600 G HA3 -0.217 3.766 3.960 0.038 0.000 0.244 600 G C 0.073 175.013 174.900 0.066 0.000 0.982 600 G CA -0.254 44.843 45.100 -0.004 0.000 0.641 600 G HN 0.562 nan 8.290 nan 0.000 0.527 601 R N -0.221 120.289 120.500 0.016 0.000 2.801 601 R HA 0.627 4.990 4.340 0.038 0.000 0.273 601 R C 0.142 176.493 176.300 0.085 0.000 1.080 601 R CA 0.034 56.173 56.100 0.064 0.000 1.197 601 R CB 0.914 31.244 30.300 0.051 0.000 1.109 601 R HN 0.691 nan 8.270 nan 0.000 0.535 602 V N 0.557 120.540 119.914 0.116 0.000 2.841 602 V HA 0.446 4.589 4.120 0.038 0.000 0.310 602 V C -1.067 175.090 176.094 0.105 0.000 1.090 602 V CA -0.750 61.633 62.300 0.139 0.000 0.930 602 V CB 2.495 34.426 31.823 0.181 0.000 1.014 602 V HN 0.362 nan 8.190 nan 0.000 0.425 603 V N 5.599 125.570 119.914 0.094 0.000 2.555 603 V HA 0.786 4.929 4.120 0.038 0.000 0.302 603 V C 0.509 176.657 176.094 0.090 0.000 1.038 603 V CA -0.209 62.137 62.300 0.077 0.000 0.887 603 V CB 1.702 33.555 31.823 0.050 0.000 0.991 603 V HN 1.183 nan 8.190 nan 0.000 0.434 604 A N 6.059 128.940 122.820 0.102 0.000 2.362 604 A HA 0.723 5.066 4.320 0.038 0.000 0.276 604 A C -0.369 177.229 177.584 0.024 0.000 1.153 604 A CA -0.187 51.898 52.037 0.080 0.000 0.813 604 A CB -0.067 19.015 19.000 0.136 0.000 1.081 604 A HN 0.763 nan 8.150 nan 0.000 0.507 605 I N 3.392 123.970 120.570 0.012 0.000 2.330 605 I HA 0.169 4.362 4.170 0.038 0.000 0.289 605 I C -0.934 175.184 176.117 0.003 0.000 1.001 605 I CA -0.735 60.571 61.300 0.010 0.000 1.193 605 I CB 1.425 39.443 38.000 0.029 0.000 1.345 605 I HN 0.356 nan 8.210 nan 0.000 0.461 606 L N 7.652 128.868 121.223 -0.012 0.000 2.295 606 L HA 0.375 4.738 4.340 0.038 0.000 0.288 606 L C 0.116 177.073 176.870 0.146 0.000 1.079 606 L CA 0.100 54.980 54.840 0.067 0.000 0.830 606 L CB 0.382 42.361 42.059 -0.133 0.000 1.200 606 L HN 0.429 nan 8.230 nan 0.000 0.438 607 L N 3.582 124.941 121.223 0.227 0.000 2.439 607 L HA 0.370 4.733 4.340 0.038 0.000 0.261 607 L C 0.217 177.266 176.870 0.298 0.000 1.153 607 L CA -0.564 54.373 54.840 0.162 0.000 0.808 607 L CB 1.100 43.165 42.059 0.011 0.000 1.126 607 L HN 0.742 nan 8.230 nan 0.000 0.460 608 N N -1.785 117.000 118.700 0.141 0.000 2.469 608 N HA 0.207 4.970 4.740 0.038 0.000 0.286 608 N C -0.165 175.329 175.510 -0.026 0.000 1.275 608 N CA -0.775 52.394 53.050 0.198 0.000 0.790 608 N CB 0.799 39.397 38.487 0.185 0.000 1.446 608 N HN 0.526 nan 8.380 nan 0.000 0.501 609 D N -1.617 118.808 120.400 0.042 0.000 2.348 609 D HA -0.119 4.544 4.640 0.038 0.000 0.216 609 D C -0.262 176.009 176.300 -0.049 0.000 0.970 609 D CA 0.920 54.880 54.000 -0.067 0.000 0.889 609 D CB -0.035 40.797 40.800 0.054 0.000 0.912 609 D HN 0.787 nan 8.370 nan 0.000 0.524 610 E N 0.538 120.729 120.200 -0.015 0.000 3.386 610 E HA 0.275 4.648 4.350 0.038 0.000 0.236 610 E C -1.160 175.431 176.600 -0.014 0.000 1.227 610 E CA -0.489 55.900 56.400 -0.019 0.000 0.970 610 E CB 0.717 30.413 29.700 -0.006 0.000 1.343 610 E HN -0.124 nan 8.360 nan 0.000 0.397 611 V N 2.235 122.132 119.914 -0.029 0.000 2.872 611 V HA 0.055 4.198 4.120 0.038 0.000 0.307 611 V C 0.823 176.904 176.094 -0.022 0.000 1.072 611 V CA 0.196 62.484 62.300 -0.019 0.000 1.148 611 V CB 0.859 32.665 31.823 -0.028 0.000 0.954 611 V HN 0.537 nan 8.190 nan 0.000 0.490 612 R N 2.862 123.350 120.500 -0.021 0.000 2.309 612 R HA 0.092 4.455 4.340 0.038 0.000 0.331 612 R C 1.594 177.875 176.300 -0.033 0.000 1.116 612 R CA 0.490 56.572 56.100 -0.029 0.000 0.970 612 R CB 0.290 30.568 30.300 -0.037 0.000 1.024 612 R HN 1.001 nan 8.270 nan 0.000 0.472 613 S N 3.176 118.858 115.700 -0.030 0.000 2.374 613 S HA -0.287 4.206 4.470 0.038 0.000 0.227 613 S C 1.996 176.578 174.600 -0.029 0.000 1.037 613 S CA 1.139 59.323 58.200 -0.027 0.000 1.024 613 S CB -0.277 62.908 63.200 -0.024 0.000 0.861 613 S HN 0.683 nan 8.310 nan 0.000 0.456 614 A N 2.250 125.049 122.820 -0.034 0.000 1.972 614 A HA -0.113 4.230 4.320 0.038 0.000 0.219 614 A C 1.947 179.500 177.584 -0.052 0.000 1.169 614 A CA 1.611 53.625 52.037 -0.038 0.000 0.635 614 A CB -0.791 18.185 19.000 -0.040 0.000 0.810 614 A HN 0.465 nan 8.150 nan 0.000 0.446 615 D N 0.022 120.381 120.400 -0.068 0.000 2.087 615 D HA -0.146 4.517 4.640 0.038 0.000 0.192 615 D C 1.954 178.224 176.300 -0.050 0.000 0.993 615 D CA 0.962 54.904 54.000 -0.096 0.000 0.828 615 D CB -0.494 40.238 40.800 -0.114 0.000 0.968 615 D HN 0.341 nan 8.370 nan 0.000 0.448 616 L N 0.219 121.424 121.223 -0.029 0.000 2.043 616 L HA -0.210 4.152 4.340 0.038 0.000 0.212 616 L C 2.380 179.249 176.870 -0.002 0.000 1.075 616 L CA 0.829 55.664 54.840 -0.008 0.000 0.752 616 L CB -0.211 41.842 42.059 -0.010 0.000 0.891 616 L HN 0.102 nan 8.230 nan 0.000 0.432 617 L N -0.221 120.997 121.223 -0.009 0.000 2.012 617 L HA -0.186 4.176 4.340 0.038 0.000 0.210 617 L C 2.697 179.570 176.870 0.004 0.000 1.073 617 L CA 2.174 57.012 54.840 -0.004 0.000 0.748 617 L CB -0.988 41.065 42.059 -0.009 0.000 0.891 617 L HN 0.220 nan 8.230 nan 0.000 0.431 618 A N -0.971 121.848 122.820 -0.001 0.000 1.929 618 A HA -0.116 4.227 4.320 0.038 0.000 0.216 618 A C 2.272 179.881 177.584 0.041 0.000 1.176 618 A CA 1.438 53.483 52.037 0.013 0.000 0.628 618 A CB -0.619 18.379 19.000 -0.003 0.000 0.816 618 A HN 0.388 nan 8.150 nan 0.000 0.444 619 I N -0.104 120.496 120.570 0.049 0.000 2.091 619 I HA -0.308 3.885 4.170 0.038 0.000 0.239 619 I C 2.380 178.531 176.117 0.057 0.000 1.061 619 I CA 1.527 62.878 61.300 0.085 0.000 1.317 619 I CB -0.403 37.651 38.000 0.089 0.000 1.031 619 I HN 0.279 nan 8.210 nan 0.000 0.401 620 L N 0.417 121.663 121.223 0.038 0.000 2.141 620 L HA -0.210 4.152 4.340 0.038 0.000 0.209 620 L C 2.617 179.500 176.870 0.022 0.000 1.094 620 L CA 1.247 56.105 54.840 0.029 0.000 0.763 620 L CB -0.630 41.443 42.059 0.023 0.000 0.908 620 L HN 0.294 nan 8.230 nan 0.000 0.437 621 K N 0.825 121.237 120.400 0.020 0.000 2.057 621 K HA -0.167 4.175 4.320 0.038 0.000 0.206 621 K C 2.123 178.732 176.600 0.015 0.000 1.050 621 K CA 1.394 57.690 56.287 0.015 0.000 0.935 621 K CB -0.048 32.460 32.500 0.014 0.000 0.715 621 K HN 0.236 nan 8.250 nan 0.000 0.439 622 A N 1.337 124.171 122.820 0.025 0.000 1.929 622 A HA -0.024 4.319 4.320 0.038 0.000 0.216 622 A C 2.115 179.704 177.584 0.008 0.000 1.176 622 A CA 0.866 52.916 52.037 0.022 0.000 0.628 622 A CB -0.424 18.600 19.000 0.040 0.000 0.816 622 A HN 0.304 nan 8.150 nan 0.000 0.444 623 L N -0.536 120.693 121.223 0.009 0.000 2.027 623 L HA -0.189 4.173 4.340 0.038 0.000 0.206 623 L C 2.633 179.484 176.870 -0.032 0.000 1.074 623 L CA 1.878 56.712 54.840 -0.010 0.000 0.745 623 L CB -0.482 41.579 42.059 0.002 0.000 0.898 623 L HN 0.447 nan 8.230 nan 0.000 0.433 624 K N 0.604 120.994 120.400 -0.016 0.000 2.044 624 K HA -0.237 4.105 4.320 0.038 0.000 0.210 624 K C 2.054 178.638 176.600 -0.027 0.000 1.049 624 K CA 1.656 57.931 56.287 -0.020 0.000 0.927 624 K CB -0.121 32.379 32.500 0.000 0.000 0.713 624 K HN 0.290 nan 8.250 nan 0.000 0.443 625 A N 0.936 123.746 122.820 -0.017 0.000 2.070 625 A HA -0.103 4.240 4.320 0.038 0.000 0.220 625 A C 1.590 179.159 177.584 -0.024 0.000 1.159 625 A CA 1.288 53.316 52.037 -0.015 0.000 0.656 625 A CB -0.069 18.928 19.000 -0.005 0.000 0.800 625 A HN 0.210 nan 8.150 nan 0.000 0.453 626 K N -1.577 118.801 120.400 -0.036 0.000 2.373 626 K HA 0.221 4.564 4.320 0.038 0.000 0.202 626 K C 0.834 177.387 176.600 -0.079 0.000 1.025 626 K CA 0.583 56.843 56.287 -0.045 0.000 1.115 626 K CB 0.362 32.840 32.500 -0.037 0.000 0.858 626 K HN 0.654 nan 8.250 nan 0.000 0.525 627 G N 1.725 110.462 108.800 -0.105 0.000 2.147 627 G HA2 -0.224 3.759 3.960 0.038 0.000 0.244 627 G HA3 -0.224 3.759 3.960 0.038 0.000 0.244 627 G C 0.053 174.754 174.900 -0.331 0.000 1.005 627 G CA 0.130 45.121 45.100 -0.180 0.000 0.713 627 G HN 0.106 nan 8.290 nan 0.000 0.515 628 V N 1.002 120.762 119.914 -0.257 0.000 2.465 628 V HA 0.489 4.632 4.120 0.038 0.000 0.279 628 V C 0.832 176.752 176.094 -0.290 0.000 1.045 628 V CA -0.807 61.339 62.300 -0.257 0.000 0.938 628 V CB 0.975 32.738 31.823 -0.099 0.000 0.986 628 V HN 0.452 nan 8.190 nan 0.000 0.467 629 H N 1.924 121.004 119.070 0.017 0.000 2.546 629 H HA 0.750 5.329 4.556 0.038 0.000 0.365 629 H C 0.255 175.602 175.328 0.030 0.000 1.220 629 H CA 0.198 56.258 56.048 0.021 0.000 1.386 629 H CB 1.000 30.776 29.762 0.022 0.000 1.510 629 H HN 0.863 nan 8.280 nan 0.000 0.591 630 A N 0.948 123.869 122.820 0.168 0.000 2.498 630 A HA 0.568 4.911 4.320 0.038 0.000 0.298 630 A C -1.141 176.498 177.584 0.091 0.000 1.075 630 A CA -1.029 51.070 52.037 0.105 0.000 0.714 630 A CB 1.312 20.355 19.000 0.072 0.000 1.299 630 A HN 0.792 nan 8.150 nan 0.000 0.407 631 K N 2.036 122.481 120.400 0.075 0.000 2.471 631 K HA 0.681 5.023 4.320 0.038 0.000 0.252 631 K C -1.687 174.933 176.600 0.034 0.000 0.938 631 K CA -0.555 55.765 56.287 0.055 0.000 0.796 631 K CB 1.498 34.038 32.500 0.066 0.000 1.161 631 K HN 0.521 nan 8.250 nan 0.000 0.425 632 L N 4.182 125.415 121.223 0.017 0.000 2.260 632 L HA 0.349 4.712 4.340 0.038 0.000 0.289 632 L C -0.737 176.122 176.870 -0.018 0.000 1.057 632 L CA -1.090 53.751 54.840 0.002 0.000 0.811 632 L CB 0.485 42.539 42.059 -0.008 0.000 1.184 632 L HN 0.486 nan 8.230 nan 0.000 0.429 633 L N 4.191 125.400 121.223 -0.023 0.000 2.333 633 L HA 0.634 4.997 4.340 0.038 0.000 0.269 633 L C -0.532 176.233 176.870 -0.176 0.000 1.010 633 L CA -0.400 54.370 54.840 -0.117 0.000 0.818 633 L CB 1.707 43.705 42.059 -0.100 0.000 1.306 633 L HN 0.362 nan 8.230 nan 0.000 0.430 634 Y N -0.856 118.987 120.300 -0.761 0.000 2.905 634 Y HA 0.295 4.868 4.550 0.038 0.000 0.322 634 Y C 0.748 175.950 175.900 -1.162 0.000 1.455 634 Y CA -0.357 57.239 58.100 -0.840 0.000 1.083 634 Y CB 1.274 39.556 38.460 -0.297 0.000 1.473 634 Y HN 0.533 nan 8.280 nan 0.000 0.449 635 S N 0.478 115.398 115.700 -1.300 0.000 2.548 635 S HA 0.327 4.820 4.470 0.038 0.000 0.215 635 S C -0.070 174.277 174.600 -0.422 0.000 0.976 635 S CA 0.210 57.959 58.200 -0.750 0.000 0.908 635 S CB -0.006 62.849 63.200 -0.575 0.000 0.781 635 S HN 0.595 nan 8.310 nan 0.000 0.519 636 R N -1.132 119.190 120.500 -0.297 0.000 2.766 636 R HA 0.625 4.987 4.340 0.038 0.000 0.270 636 R C -0.796 175.509 176.300 0.007 0.000 1.035 636 R CA -1.135 54.915 56.100 -0.083 0.000 0.911 636 R CB 0.404 30.695 30.300 -0.015 0.000 1.243 636 R HN -0.078 nan 8.270 nan 0.000 0.460 637 M N 0.164 119.766 119.600 0.003 0.000 2.114 637 M HA 0.476 4.979 4.480 0.038 0.000 0.280 637 M C 1.041 177.360 176.300 0.032 0.000 1.209 637 M CA 1.094 56.401 55.300 0.011 0.000 1.044 637 M CB 0.449 33.046 32.600 -0.004 0.000 1.404 637 M HN 1.036 nan 8.290 nan 0.000 0.499 638 G N 0.858 109.665 108.800 0.011 0.000 2.715 638 G HA2 -0.108 3.875 3.960 0.038 0.000 0.221 638 G HA3 -0.108 3.875 3.960 0.038 0.000 0.221 638 G C -1.062 173.828 174.900 -0.018 0.000 1.204 638 G CA -0.186 44.915 45.100 0.003 0.000 1.063 638 G HN 0.739 nan 8.290 nan 0.000 0.586 639 E N -0.756 119.424 120.200 -0.034 0.000 2.416 639 E HA 0.681 5.053 4.350 0.038 0.000 0.273 639 E C -0.408 176.115 176.600 -0.129 0.000 0.935 639 E CA -0.759 55.598 56.400 -0.073 0.000 0.784 639 E CB 2.757 32.425 29.700 -0.054 0.000 1.301 639 E HN 1.408 nan 8.360 nan 0.000 0.454 640 V N -2.137 117.662 119.914 -0.192 0.000 3.113 640 V HA 0.764 4.907 4.120 0.038 0.000 0.316 640 V C -0.488 175.523 176.094 -0.138 0.000 1.125 640 V CA -0.707 61.460 62.300 -0.222 0.000 1.026 640 V CB 1.847 33.421 31.823 -0.416 0.000 1.080 640 V HN 0.728 nan 8.190 nan 0.000 0.444 641 T N 1.732 116.218 114.554 -0.112 0.000 2.824 641 T HA 0.791 5.164 4.350 0.038 0.000 0.282 641 T C 0.223 174.882 174.700 -0.067 0.000 0.993 641 T CA 0.260 62.316 62.100 -0.073 0.000 0.967 641 T CB 1.391 70.228 68.868 -0.051 0.000 0.960 641 T HN 1.328 nan 8.240 nan 0.000 0.441 642 A N 2.292 125.079 122.820 -0.055 0.000 2.292 642 A HA 0.359 4.701 4.320 0.038 0.000 0.265 642 A C 1.566 179.130 177.584 -0.033 0.000 1.133 642 A CA -0.157 51.853 52.037 -0.044 0.000 0.807 642 A CB -0.015 18.962 19.000 -0.038 0.000 1.102 642 A HN 0.907 nan 8.150 nan 0.000 0.502 643 D N 0.069 120.452 120.400 -0.027 0.000 2.123 643 D HA -0.207 4.456 4.640 0.038 0.000 0.196 643 D C 0.716 177.004 176.300 -0.020 0.000 0.992 643 D CA 1.671 55.658 54.000 -0.022 0.000 0.833 643 D CB -0.528 40.260 40.800 -0.020 0.000 0.954 643 D HN 0.609 nan 8.370 nan 0.000 0.455 644 D N -1.061 119.327 120.400 -0.021 0.000 2.325 644 D HA 0.185 4.848 4.640 0.038 0.000 0.234 644 D C 1.596 177.885 176.300 -0.019 0.000 1.122 644 D CA 0.449 54.438 54.000 -0.019 0.000 0.850 644 D CB -0.144 40.645 40.800 -0.018 0.000 0.921 644 D HN 0.431 nan 8.370 nan 0.000 0.513 645 G N -0.035 108.752 108.800 -0.021 0.000 2.225 645 G HA2 -0.295 3.687 3.960 0.038 0.000 0.254 645 G HA3 -0.295 3.687 3.960 0.038 0.000 0.254 645 G C 0.517 175.403 174.900 -0.024 0.000 0.988 645 G CA 0.343 45.430 45.100 -0.021 0.000 0.625 645 G HN 0.479 nan 8.290 nan 0.000 0.527 646 T N 1.167 115.706 114.554 -0.025 0.000 2.908 646 T HA 0.378 4.751 4.350 0.038 0.000 0.301 646 T C 0.540 175.220 174.700 -0.034 0.000 1.019 646 T CA 0.251 62.336 62.100 -0.026 0.000 1.152 646 T CB 2.200 71.053 68.868 -0.025 0.000 0.966 646 T HN 0.505 nan 8.240 nan 0.000 0.540 647 V N 5.126 125.021 119.914 -0.032 0.000 2.383 647 V HA 0.242 4.385 4.120 0.038 0.000 0.275 647 V C -0.249 175.820 176.094 -0.042 0.000 1.036 647 V CA -0.782 61.494 62.300 -0.039 0.000 0.889 647 V CB 1.026 32.830 31.823 -0.032 0.000 0.985 647 V HN 0.563 nan 8.190 nan 0.000 0.459 648 L N 9.231 130.418 121.223 -0.059 0.000 2.262 648 L HA 0.512 4.875 4.340 0.038 0.000 0.288 648 L C -2.150 174.681 176.870 -0.065 0.000 1.035 648 L CA -2.415 52.389 54.840 -0.061 0.000 0.820 648 L CB 1.186 43.197 42.059 -0.081 0.000 1.204 648 L HN 0.417 nan 8.230 nan 0.000 0.424 649 P HA 0.278 nan 4.420 nan 0.000 0.279 649 P C -0.345 176.932 177.300 -0.038 0.000 1.239 649 P CA -0.251 62.827 63.100 -0.037 0.000 0.789 649 P CB 1.030 32.717 31.700 -0.021 0.000 0.933 650 I N 1.802 122.351 120.570 -0.037 0.000 2.365 650 I HA 0.256 4.448 4.170 0.038 0.000 0.291 650 I C 1.525 177.630 176.117 -0.019 0.000 1.004 650 I CA -0.391 60.891 61.300 -0.030 0.000 1.311 650 I CB 1.455 39.445 38.000 -0.016 0.000 1.401 650 I HN 0.364 nan 8.210 nan 0.000 0.491 651 A N 5.100 127.909 122.820 -0.017 0.000 1.903 651 A HA 0.607 4.950 4.320 0.038 0.000 0.213 651 A C 0.945 178.522 177.584 -0.012 0.000 1.185 651 A CA 1.169 53.201 52.037 -0.007 0.000 0.628 651 A CB 0.037 19.040 19.000 0.005 0.000 0.830 651 A HN 0.807 nan 8.150 nan 0.000 0.446 652 A N -1.943 120.859 122.820 -0.031 0.000 2.586 652 A HA 0.584 4.926 4.320 0.038 0.000 0.290 652 A C -0.093 177.424 177.584 -0.112 0.000 1.086 652 A CA 0.113 52.127 52.037 -0.038 0.000 0.665 652 A CB -0.115 18.888 19.000 0.005 0.000 1.279 652 A HN 0.763 nan 8.150 nan 0.000 0.423 653 T N -1.707 112.775 114.554 -0.121 0.000 2.881 653 T HA 0.572 4.945 4.350 0.038 0.000 0.278 653 T C 0.894 175.497 174.700 -0.161 0.000 0.982 653 T CA -0.094 61.851 62.100 -0.259 0.000 0.989 653 T CB 0.174 68.949 68.868 -0.155 0.000 1.058 653 T HN 0.464 nan 8.240 nan 0.000 0.529 654 F N 0.534 120.496 119.950 0.020 0.000 2.154 654 F HA -0.045 4.505 4.527 0.038 0.000 0.301 654 F C 2.906 178.833 175.800 0.213 0.000 1.087 654 F CA 1.169 59.230 58.000 0.102 0.000 1.274 654 F CB -0.592 38.449 39.000 0.068 0.000 1.009 654 F HN 0.720 nan 8.300 nan 0.000 0.485 655 A N 0.130 123.107 122.820 0.260 0.000 1.970 655 A HA 0.085 4.428 4.320 0.038 0.000 0.216 655 A C 2.442 180.096 177.584 0.117 0.000 1.170 655 A CA 1.291 53.430 52.037 0.170 0.000 0.645 655 A CB -1.370 17.691 19.000 0.102 0.000 0.816 655 A HN 0.374 nan 8.150 nan 0.000 0.447 656 G N -0.721 108.132 108.800 0.087 0.000 2.421 656 G HA2 0.266 4.249 3.960 0.038 0.000 0.217 656 G HA3 0.266 4.249 3.960 0.038 0.000 0.217 656 G C 0.667 175.614 174.900 0.078 0.000 1.143 656 G CA 1.006 46.139 45.100 0.055 0.000 0.784 656 G HN 1.078 nan 8.290 nan 0.000 0.541 657 A N 0.672 123.573 122.820 0.135 0.000 3.030 657 A HA 0.711 5.054 4.320 0.038 0.000 0.335 657 A C -2.720 175.030 177.584 0.277 0.000 1.089 657 A CA -1.127 51.008 52.037 0.163 0.000 0.807 657 A CB 1.342 20.428 19.000 0.143 0.000 1.099 657 A HN 0.090 nan 8.150 nan 0.000 0.474 658 P HA 0.074 nan 4.420 nan 0.000 0.271 658 P C 1.360 178.514 177.300 -0.244 0.000 1.233 658 P CA 0.212 63.284 63.100 -0.047 0.000 0.789 658 P CB 0.788 32.437 31.700 -0.085 0.000 0.951 659 S N 0.543 115.737 115.700 -0.844 0.000 2.442 659 S HA -0.138 4.354 4.470 0.038 0.000 0.236 659 S C 1.820 176.278 174.600 -0.236 0.000 1.007 659 S CA 0.990 58.811 58.200 -0.632 0.000 0.965 659 S CB -1.353 61.366 63.200 -0.801 0.000 0.773 659 S HN 0.311 nan 8.310 nan 0.000 0.504 660 L N 1.909 122.995 121.223 -0.227 0.000 2.089 660 L HA -0.140 4.223 4.340 0.038 0.000 0.213 660 L C 2.963 179.667 176.870 -0.277 0.000 1.079 660 L CA 1.810 56.512 54.840 -0.231 0.000 0.758 660 L CB -1.561 40.337 42.059 -0.269 0.000 0.891 660 L HN 0.660 nan 8.230 nan 0.000 0.433 661 T N -3.031 111.422 114.554 -0.167 0.000 3.129 661 T HA 0.236 4.609 4.350 0.038 0.000 0.251 661 T C 0.286 175.068 174.700 0.137 0.000 1.117 661 T CA 0.160 62.229 62.100 -0.051 0.000 1.034 661 T CB -0.434 68.491 68.868 0.096 0.000 0.968 661 T HN 0.175 nan 8.240 nan 0.000 0.526 662 V N -3.096 116.866 119.914 0.080 0.000 3.141 662 V HA 0.564 4.707 4.120 0.038 0.000 0.312 662 V C -0.168 175.974 176.094 0.081 0.000 1.157 662 V CA -1.000 61.376 62.300 0.127 0.000 1.041 662 V CB 2.088 34.001 31.823 0.149 0.000 1.071 662 V HN 0.003 nan 8.190 nan 0.000 0.441 663 D N 0.934 121.385 120.400 0.085 0.000 2.346 663 D HA 0.476 5.139 4.640 0.038 0.000 0.206 663 D C 0.588 176.878 176.300 -0.017 0.000 1.001 663 D CA 1.580 55.605 54.000 0.042 0.000 0.871 663 D CB 1.426 42.272 40.800 0.076 0.000 0.943 663 D HN 1.006 nan 8.370 nan 0.000 0.518 664 A N 0.092 122.917 122.820 0.007 0.000 2.586 664 A HA 0.525 4.868 4.320 0.038 0.000 0.291 664 A C -1.581 176.020 177.584 0.029 0.000 1.062 664 A CA -0.579 51.447 52.037 -0.017 0.000 0.666 664 A CB 1.451 20.427 19.000 -0.040 0.000 1.281 664 A HN -0.100 nan 8.150 nan 0.000 0.421 665 V N 0.961 120.887 119.914 0.019 0.000 2.709 665 V HA 0.620 4.763 4.120 0.038 0.000 0.308 665 V C -0.690 175.411 176.094 0.012 0.000 1.062 665 V CA -0.266 62.060 62.300 0.043 0.000 0.901 665 V CB 1.636 33.505 31.823 0.078 0.000 1.003 665 V HN 0.713 nan 8.190 nan 0.000 0.425 666 I N 3.726 124.310 120.570 0.023 0.000 2.498 666 I HA 0.553 4.745 4.170 0.038 0.000 0.290 666 I C -0.930 175.215 176.117 0.047 0.000 1.032 666 I CA -0.969 60.368 61.300 0.063 0.000 1.073 666 I CB 2.356 40.422 38.000 0.110 0.000 1.251 666 I HN 0.271 nan 8.210 nan 0.000 0.426 667 V N 7.472 127.429 119.914 0.073 0.000 2.326 667 V HA 0.348 4.490 4.120 0.038 0.000 0.281 667 V C -2.083 174.065 176.094 0.090 0.000 1.015 667 V CA -1.517 60.810 62.300 0.045 0.000 0.823 667 V CB 1.279 33.099 31.823 -0.005 0.000 1.009 667 V HN 0.563 nan 8.190 nan 0.000 0.436 668 P HA 0.419 nan 4.420 nan 0.000 0.276 668 P C -0.192 177.126 177.300 0.030 0.000 1.261 668 P CA -0.235 62.880 63.100 0.025 0.000 0.800 668 P CB 1.177 32.883 31.700 0.010 0.000 1.066 669 A N -0.123 122.690 122.820 -0.011 0.000 2.292 669 A HA 0.676 5.018 4.320 0.038 0.000 0.265 669 A C 0.793 178.383 177.584 0.011 0.000 1.133 669 A CA 0.616 52.653 52.037 0.001 0.000 0.807 669 A CB -0.898 18.081 19.000 -0.034 0.000 1.102 669 A HN 0.880 nan 8.150 nan 0.000 0.502 670 G N -0.726 108.081 108.800 0.012 0.000 2.240 670 G HA2 -0.101 3.881 3.960 0.038 0.000 0.199 670 G HA3 -0.101 3.881 3.960 0.038 0.000 0.199 670 G C -0.209 174.703 174.900 0.020 0.000 1.342 670 G CA -0.081 45.025 45.100 0.011 0.000 1.145 670 G HN 1.054 nan 8.290 nan 0.000 0.477 671 N N 1.551 120.269 118.700 0.029 0.000 2.744 671 N HA 0.105 4.867 4.740 0.038 0.000 0.290 671 N C 1.375 176.921 175.510 0.061 0.000 1.206 671 N CA -0.511 52.560 53.050 0.036 0.000 1.119 671 N CB -0.195 38.316 38.487 0.039 0.000 1.449 671 N HN 0.369 nan 8.380 nan 0.000 0.514 672 I N 1.719 122.314 120.570 0.042 0.000 2.614 672 I HA -0.176 4.017 4.170 0.038 0.000 0.258 672 I C 2.310 178.440 176.117 0.022 0.000 1.189 672 I CA 0.615 61.946 61.300 0.052 0.000 1.462 672 I CB -1.320 36.675 38.000 -0.009 0.000 1.092 672 I HN 0.451 nan 8.210 nan 0.000 0.442 673 A N 0.616 123.439 122.820 0.004 0.000 2.067 673 A HA -0.242 4.101 4.320 0.038 0.000 0.219 673 A C 2.051 179.653 177.584 0.030 0.000 1.158 673 A CA 1.771 53.801 52.037 -0.011 0.000 0.661 673 A CB -0.577 18.416 19.000 -0.011 0.000 0.801 673 A HN 0.418 nan 8.150 nan 0.000 0.452 674 D N 0.613 121.058 120.400 0.075 0.000 2.117 674 D HA -0.145 4.518 4.640 0.038 0.000 0.197 674 D C 1.616 177.998 176.300 0.137 0.000 0.987 674 D CA 1.770 55.840 54.000 0.117 0.000 0.829 674 D CB -0.208 40.694 40.800 0.170 0.000 0.961 674 D HN 0.615 nan 8.370 nan 0.000 0.460 675 I N -3.512 117.162 120.570 0.174 0.000 4.070 675 I HA 0.441 4.633 4.170 0.038 0.000 0.328 675 I C 1.988 178.237 176.117 0.221 0.000 1.298 675 I CA 0.092 61.512 61.300 0.200 0.000 1.173 675 I CB -0.097 38.053 38.000 0.250 0.000 1.051 675 I HN -0.075 nan 8.210 nan 0.000 0.409 676 A N 1.510 124.393 122.820 0.104 0.000 2.084 676 A HA -0.191 4.152 4.320 0.038 0.000 0.221 676 A C 1.254 178.831 177.584 -0.011 0.000 1.161 676 A CA 2.054 54.035 52.037 -0.093 0.000 0.653 676 A CB -0.496 18.349 19.000 -0.258 0.000 0.802 676 A HN 0.542 nan 8.150 nan 0.000 0.457 677 D N -0.985 119.432 120.400 0.028 0.000 2.571 677 D HA 0.075 4.738 4.640 0.038 0.000 0.239 677 D C -0.334 175.990 176.300 0.041 0.000 1.267 677 D CA -0.229 53.785 54.000 0.024 0.000 0.823 677 D CB -0.156 40.647 40.800 0.004 0.000 1.056 677 D HN 0.304 nan 8.370 nan 0.000 0.494 678 N N 0.883 119.620 118.700 0.061 0.000 2.420 678 N HA 0.096 4.859 4.740 0.038 0.000 0.249 678 N C 1.408 176.940 175.510 0.037 0.000 1.033 678 N CA -0.072 53.006 53.050 0.046 0.000 0.944 678 N CB 1.511 40.025 38.487 0.045 0.000 1.113 678 N HN 0.046 nan 8.380 nan 0.000 0.502 679 G N 3.381 112.205 108.800 0.040 0.000 2.476 679 G HA2 -0.293 3.689 3.960 0.038 0.000 0.218 679 G HA3 -0.293 3.689 3.960 0.038 0.000 0.218 679 G C 0.954 175.895 174.900 0.067 0.000 1.164 679 G CA 0.730 45.858 45.100 0.046 0.000 0.768 679 G HN 0.599 nan 8.290 nan 0.000 0.560 680 D N 0.953 121.394 120.400 0.068 0.000 2.097 680 D HA -0.040 4.623 4.640 0.038 0.000 0.195 680 D C 2.860 179.138 176.300 -0.038 0.000 0.989 680 D CA 1.357 55.429 54.000 0.120 0.000 0.827 680 D CB -0.658 40.284 40.800 0.237 0.000 0.966 680 D HN 0.308 nan 8.370 nan 0.000 0.456 681 A N 1.302 123.904 122.820 -0.363 0.000 1.883 681 A HA -0.226 4.117 4.320 0.038 0.000 0.217 681 A C 2.032 179.392 177.584 -0.374 0.000 1.186 681 A CA 1.525 53.117 52.037 -0.742 0.000 0.624 681 A CB -0.581 17.912 19.000 -0.844 0.000 0.822 681 A HN 0.157 nan 8.150 nan 0.000 0.444 682 N N -1.457 117.174 118.700 -0.115 0.000 2.043 682 N HA -0.206 4.557 4.740 0.038 0.000 0.193 682 N C 1.723 177.225 175.510 -0.013 0.000 1.037 682 N CA 1.929 54.979 53.050 0.001 0.000 0.851 682 N CB -0.572 37.986 38.487 0.119 0.000 1.027 682 N HN 0.694 nan 8.380 nan 0.000 0.422 683 Y N 0.527 120.791 120.300 -0.059 0.000 2.224 683 Y HA -0.282 4.290 4.550 0.038 0.000 0.289 683 Y C 2.410 178.263 175.900 -0.078 0.000 1.146 683 Y CA 1.254 59.318 58.100 -0.060 0.000 1.182 683 Y CB -0.378 38.054 38.460 -0.047 0.000 0.983 683 Y HN 0.039 nan 8.280 nan 0.000 0.524 684 Y N -0.043 120.114 120.300 -0.239 0.000 2.102 684 Y HA -0.356 4.217 4.550 0.038 0.000 0.280 684 Y C 2.137 177.837 175.900 -0.333 0.000 1.178 684 Y CA 1.922 59.854 58.100 -0.280 0.000 1.146 684 Y CB -0.462 37.846 38.460 -0.254 0.000 0.968 684 Y HN 0.115 nan 8.280 nan 0.000 0.504 685 L N -0.640 120.511 121.223 -0.121 0.000 2.109 685 L HA -0.230 4.133 4.340 0.038 0.000 0.207 685 L C 2.305 179.066 176.870 -0.181 0.000 1.086 685 L CA 1.700 56.455 54.840 -0.142 0.000 0.760 685 L CB -1.438 40.508 42.059 -0.187 0.000 0.910 685 L HN 0.412 nan 8.230 nan 0.000 0.437 686 M N -0.686 118.759 119.600 -0.258 0.000 2.108 686 M HA -0.238 4.264 4.480 0.038 0.000 0.261 686 M C 2.164 178.217 176.300 -0.411 0.000 1.066 686 M CA 1.654 56.792 55.300 -0.269 0.000 1.107 686 M CB -0.418 32.041 32.600 -0.236 0.000 1.356 686 M HN 0.245 nan 8.290 nan 0.000 0.406 687 E N 0.575 120.332 120.200 -0.739 0.000 2.028 687 E HA -0.178 4.194 4.350 0.038 0.000 0.191 687 E C 2.035 178.243 176.600 -0.654 0.000 0.988 687 E CA 1.327 57.230 56.400 -0.828 0.000 0.799 687 E CB 0.004 29.161 29.700 -0.904 0.000 0.755 687 E HN 0.472 nan 8.360 nan 0.000 0.447 688 A N 0.141 122.708 122.820 -0.420 0.000 1.933 688 A HA -0.194 4.149 4.320 0.038 0.000 0.218 688 A C 2.012 179.483 177.584 -0.188 0.000 1.175 688 A CA 1.354 53.243 52.037 -0.246 0.000 0.628 688 A CB -0.826 18.092 19.000 -0.137 0.000 0.814 688 A HN 0.550 nan 8.150 nan 0.000 0.444 689 Y N 0.559 120.694 120.300 -0.276 0.000 2.145 689 Y HA -0.194 4.379 4.550 0.038 0.000 0.286 689 Y C 2.380 178.153 175.900 -0.211 0.000 1.145 689 Y CA 2.290 60.263 58.100 -0.211 0.000 1.148 689 Y CB -0.222 38.134 38.460 -0.175 0.000 0.981 689 Y HN 0.311 nan 8.280 nan 0.000 0.507 690 K N -0.673 119.576 120.400 -0.251 0.000 2.057 690 K HA -0.217 4.125 4.320 0.038 0.000 0.207 690 K C 1.242 177.718 176.600 -0.207 0.000 1.049 690 K CA 2.008 58.131 56.287 -0.272 0.000 0.931 690 K CB -0.438 31.863 32.500 -0.331 0.000 0.714 690 K HN 0.578 nan 8.250 nan 0.000 0.440 691 H N 0.232 119.174 119.070 -0.213 0.000 2.547 691 H HA 0.159 4.738 4.556 0.038 0.000 0.274 691 H C 0.024 175.187 175.328 -0.275 0.000 1.024 691 H CA 0.266 56.188 56.048 -0.209 0.000 1.155 691 H CB 0.116 29.753 29.762 -0.208 0.000 1.344 691 H HN 0.132 nan 8.280 nan 0.000 0.598 692 L N -0.212 120.857 121.223 -0.257 0.000 4.351 692 L HA -0.255 4.108 4.340 0.038 0.000 0.410 692 L C -0.330 176.280 176.870 -0.432 0.000 1.150 692 L CA 0.482 55.081 54.840 -0.402 0.000 0.961 692 L CB -1.689 40.107 42.059 -0.439 0.000 2.130 692 L HN 0.267 nan 8.230 nan 0.000 0.787 693 K N 0.856 121.071 120.400 -0.309 0.000 2.174 693 K HA 0.462 4.804 4.320 0.038 0.000 0.275 693 K C -2.128 174.342 176.600 -0.217 0.000 1.015 693 K CA -1.736 54.391 56.287 -0.265 0.000 0.933 693 K CB 0.632 33.030 32.500 -0.170 0.000 1.025 693 K HN -0.219 nan 8.250 nan 0.000 0.463 694 P HA 0.020 nan 4.420 nan 0.000 0.266 694 P C -0.747 176.492 177.300 -0.102 0.000 1.195 694 P CA 0.443 63.447 63.100 -0.159 0.000 0.768 694 P CB 0.443 32.049 31.700 -0.157 0.000 0.838 695 I N 1.592 122.116 120.570 -0.077 0.000 2.545 695 I HA 0.633 4.826 4.170 0.038 0.000 0.292 695 I C -0.271 175.803 176.117 -0.073 0.000 1.040 695 I CA -0.972 60.301 61.300 -0.046 0.000 1.068 695 I CB 2.256 40.255 38.000 -0.001 0.000 1.251 695 I HN 0.256 nan 8.210 nan 0.000 0.424 696 A N 7.491 130.275 122.820 -0.060 0.000 2.343 696 A HA 0.875 5.218 4.320 0.038 0.000 0.308 696 A C -1.084 176.605 177.584 0.175 0.000 1.092 696 A CA -0.435 51.556 52.037 -0.076 0.000 0.751 696 A CB 1.007 19.788 19.000 -0.365 0.000 1.203 696 A HN 0.665 nan 8.150 nan 0.000 0.452 697 L N 2.101 123.485 121.223 0.267 0.000 2.356 697 L HA 0.765 5.128 4.340 0.038 0.000 0.277 697 L C 0.217 177.277 176.870 0.317 0.000 0.996 697 L CA -0.550 54.451 54.840 0.268 0.000 0.822 697 L CB 2.031 44.194 42.059 0.174 0.000 1.256 697 L HN 0.768 nan 8.230 nan 0.000 0.413 698 A N 2.126 125.036 122.820 0.150 0.000 2.342 698 A HA 0.869 5.212 4.320 0.038 0.000 0.323 698 A C 0.588 178.148 177.584 -0.041 0.000 1.125 698 A CA 0.203 52.192 52.037 -0.080 0.000 0.785 698 A CB 1.281 20.012 19.000 -0.447 0.000 1.221 698 A HN 0.985 nan 8.150 nan 0.000 0.463 699 G N 1.779 110.548 108.800 -0.051 0.000 2.651 699 G HA2 -0.353 3.630 3.960 0.038 0.000 0.315 699 G HA3 -0.353 3.630 3.960 0.038 0.000 0.315 699 G C 0.646 175.544 174.900 -0.003 0.000 1.258 699 G CA 0.881 45.963 45.100 -0.030 0.000 1.002 699 G HN 0.709 nan 8.290 nan 0.000 0.551 700 D N 1.134 121.530 120.400 -0.006 0.000 2.218 700 D HA 0.060 4.723 4.640 0.038 0.000 0.204 700 D C 2.760 179.064 176.300 0.006 0.000 0.976 700 D CA 1.747 55.739 54.000 -0.013 0.000 0.853 700 D CB -0.749 40.039 40.800 -0.020 0.000 0.939 700 D HN 0.794 nan 8.370 nan 0.000 0.481 701 A N 1.031 123.895 122.820 0.073 0.000 2.093 701 A HA -0.244 4.099 4.320 0.038 0.000 0.222 701 A C 2.072 179.776 177.584 0.200 0.000 1.162 701 A CA 1.163 53.323 52.037 0.205 0.000 0.655 701 A CB -0.584 18.538 19.000 0.204 0.000 0.805 701 A HN 0.184 nan 8.150 nan 0.000 0.461 702 R N -0.370 120.187 120.500 0.095 0.000 2.249 702 R HA -0.099 4.263 4.340 0.038 0.000 0.230 702 R C 1.819 178.124 176.300 0.008 0.000 1.121 702 R CA 1.155 57.294 56.100 0.065 0.000 0.997 702 R CB -0.180 30.143 30.300 0.040 0.000 0.867 702 R HN 0.504 nan 8.270 nan 0.000 0.465 703 K N -0.129 120.229 120.400 -0.071 0.000 2.211 703 K HA -0.155 4.188 4.320 0.038 0.000 0.204 703 K C 1.441 177.895 176.600 -0.244 0.000 1.047 703 K CA 1.274 57.444 56.287 -0.195 0.000 0.935 703 K CB -0.122 32.191 32.500 -0.312 0.000 0.728 703 K HN 0.226 nan 8.250 nan 0.000 0.452 704 F N 1.371 121.297 119.950 -0.041 0.000 2.546 704 F HA -0.067 4.483 4.527 0.038 0.000 0.298 704 F C 2.018 177.770 175.800 -0.080 0.000 1.120 704 F CA 0.719 58.683 58.000 -0.060 0.000 1.456 704 F CB -0.041 38.923 39.000 -0.060 0.000 1.088 704 F HN -0.068 nan 8.300 nan 0.000 0.572 705 K N 0.248 120.686 120.400 0.064 0.000 2.211 705 K HA -0.186 4.156 4.320 0.038 0.000 0.204 705 K C 2.270 178.842 176.600 -0.047 0.000 1.047 705 K CA 1.053 57.334 56.287 -0.010 0.000 0.935 705 K CB -0.267 32.224 32.500 -0.015 0.000 0.728 705 K HN 0.284 nan 8.250 nan 0.000 0.452 706 A N 0.271 123.067 122.820 -0.040 0.000 1.929 706 A HA -0.138 4.205 4.320 0.038 0.000 0.216 706 A C 2.187 179.743 177.584 -0.047 0.000 1.176 706 A CA 1.888 53.895 52.037 -0.051 0.000 0.628 706 A CB -0.821 18.143 19.000 -0.059 0.000 0.816 706 A HN 0.296 nan 8.150 nan 0.000 0.444 707 T N 0.369 114.915 114.554 -0.012 0.000 2.803 707 T HA -0.105 4.268 4.350 0.038 0.000 0.269 707 T C 1.335 175.988 174.700 -0.079 0.000 1.052 707 T CA 1.631 63.729 62.100 -0.002 0.000 1.136 707 T CB -0.597 68.326 68.868 0.092 0.000 0.864 707 T HN 0.624 nan 8.240 nan 0.000 0.467 708 I N -2.900 117.572 120.570 -0.163 0.000 3.941 708 I HA 0.489 4.681 4.170 0.038 0.000 0.335 708 I C 0.218 176.112 176.117 -0.371 0.000 1.402 708 I CA -0.570 60.507 61.300 -0.371 0.000 1.112 708 I CB -0.079 37.514 38.000 -0.678 0.000 1.043 708 I HN -0.048 nan 8.210 nan 0.000 0.395 709 K N 1.880 122.166 120.400 -0.190 0.000 3.150 709 K HA -0.094 4.249 4.320 0.038 0.000 0.267 709 K C -0.521 176.007 176.600 -0.120 0.000 1.028 709 K CA 0.401 56.614 56.287 -0.124 0.000 0.753 709 K CB -1.089 31.360 32.500 -0.084 0.000 1.288 709 K HN 0.380 nan 8.250 nan 0.000 0.473 710 I N 0.866 121.362 120.570 -0.124 0.000 2.365 710 I HA 0.309 4.502 4.170 0.038 0.000 0.291 710 I C 1.395 177.487 176.117 -0.043 0.000 1.004 710 I CA -0.741 60.509 61.300 -0.084 0.000 1.311 710 I CB 0.668 38.616 38.000 -0.086 0.000 1.401 710 I HN 0.294 nan 8.210 nan 0.000 0.491 711 A N 5.049 127.856 122.820 -0.022 0.000 2.429 711 A HA 0.094 4.436 4.320 0.038 0.000 0.242 711 A C 1.002 178.580 177.584 -0.010 0.000 1.088 711 A CA -0.126 51.904 52.037 -0.012 0.000 0.784 711 A CB 0.103 19.101 19.000 -0.003 0.000 1.038 711 A HN 0.750 nan 8.150 nan 0.000 0.501 712 D N -0.018 120.377 120.400 -0.008 0.000 2.178 712 D HA -0.150 4.512 4.640 0.038 0.000 0.202 712 D C 1.969 178.269 176.300 -0.000 0.000 0.974 712 D CA 1.691 55.688 54.000 -0.006 0.000 0.841 712 D CB -0.093 40.703 40.800 -0.007 0.000 0.953 712 D HN 0.776 nan 8.370 nan 0.000 0.478 713 Q N 0.927 120.728 119.800 0.001 0.000 2.482 713 Q HA 0.091 4.454 4.340 0.038 0.000 0.209 713 Q C 0.741 176.745 176.000 0.006 0.000 0.961 713 Q CA 0.920 56.726 55.803 0.004 0.000 0.945 713 Q CB -0.095 28.645 28.738 0.004 0.000 1.012 713 Q HN 0.098 nan 8.270 nan 0.000 0.515 714 G N 1.454 110.257 108.800 0.005 0.000 2.829 714 G HA2 -0.264 3.719 3.960 0.038 0.000 0.628 714 G HA3 -0.264 3.719 3.960 0.038 0.000 0.628 714 G C -1.025 173.881 174.900 0.009 0.000 1.412 714 G CA -0.112 44.992 45.100 0.007 0.000 0.864 714 G HN 0.670 nan 8.290 nan 0.000 0.544 715 E N -0.630 119.577 120.200 0.012 0.000 2.383 715 E HA 0.600 4.973 4.350 0.038 0.000 0.275 715 E C -0.659 175.943 176.600 0.004 0.000 0.918 715 E CA -1.125 55.284 56.400 0.015 0.000 0.764 715 E CB 1.616 31.338 29.700 0.037 0.000 1.252 715 E HN 0.391 nan 8.360 nan 0.000 0.449 716 E N 0.732 120.927 120.200 -0.009 0.000 2.480 716 E HA 0.166 4.539 4.350 0.038 0.000 0.258 716 E C 0.839 177.409 176.600 -0.050 0.000 0.984 716 E CA 1.640 58.021 56.400 -0.032 0.000 0.930 716 E CB 0.904 30.583 29.700 -0.036 0.000 0.936 716 E HN 0.932 nan 8.360 nan 0.000 0.466 717 G N 2.983 111.739 108.800 -0.074 0.000 2.195 717 G HA2 -0.201 3.782 3.960 0.038 0.000 0.224 717 G HA3 -0.201 3.782 3.960 0.038 0.000 0.224 717 G C 0.158 175.019 174.900 -0.066 0.000 0.990 717 G CA -0.282 44.757 45.100 -0.102 0.000 0.639 717 G HN 0.412 nan 8.290 nan 0.000 0.514 718 I N 2.115 122.665 120.570 -0.033 0.000 2.382 718 I HA 0.451 4.644 4.170 0.038 0.000 0.285 718 I C 0.478 176.563 176.117 -0.052 0.000 1.007 718 I CA -1.026 60.261 61.300 -0.022 0.000 1.142 718 I CB 1.315 39.327 38.000 0.020 0.000 1.289 718 I HN -0.108 nan 8.210 nan 0.000 0.453 719 V N 7.215 127.061 119.914 -0.113 0.000 2.546 719 V HA 0.383 4.525 4.120 0.038 0.000 0.284 719 V C 0.286 176.351 176.094 -0.048 0.000 1.050 719 V CA -0.325 61.870 62.300 -0.174 0.000 0.981 719 V CB 1.230 32.781 31.823 -0.454 0.000 0.990 719 V HN 0.895 nan 8.190 nan 0.000 0.474 720 E N 3.970 124.219 120.200 0.080 0.000 2.372 720 E HA 0.853 5.226 4.350 0.038 0.000 0.279 720 E C -1.072 175.683 176.600 0.258 0.000 0.946 720 E CA -0.921 55.616 56.400 0.228 0.000 0.769 720 E CB 2.434 32.205 29.700 0.119 0.000 1.230 720 E HN 0.874 nan 8.360 nan 0.000 0.442 721 A N 1.728 124.697 122.820 0.249 0.000 2.515 721 A HA 0.323 4.665 4.320 0.038 0.000 0.292 721 A C -0.580 177.010 177.584 0.009 0.000 1.065 721 A CA -0.535 51.578 52.037 0.127 0.000 0.641 721 A CB 1.015 20.125 19.000 0.182 0.000 1.306 721 A HN 0.627 nan 8.150 nan 0.000 0.441 722 D N 0.497 120.884 120.400 -0.021 0.000 2.264 722 D HA 0.056 4.719 4.640 0.038 0.000 0.208 722 D C 0.853 177.087 176.300 -0.111 0.000 0.966 722 D CA 2.158 56.128 54.000 -0.050 0.000 0.864 722 D CB 0.096 40.874 40.800 -0.036 0.000 0.933 722 D HN 0.842 nan 8.370 nan 0.000 0.499 723 S N -1.690 113.900 115.700 -0.185 0.000 2.565 723 S HA 0.587 5.080 4.470 0.038 0.000 0.269 723 S C -0.431 173.857 174.600 -0.520 0.000 1.153 723 S CA -0.696 57.343 58.200 -0.269 0.000 0.835 723 S CB 1.966 65.071 63.200 -0.158 0.000 1.122 723 S HN -0.050 nan 8.310 nan 0.000 0.462 724 A N 1.159 123.606 122.820 -0.621 0.000 2.728 724 A HA 0.511 4.853 4.320 0.038 0.000 0.258 724 A C 0.229 177.644 177.584 -0.283 0.000 1.454 724 A CA 0.183 51.685 52.037 -0.892 0.000 1.146 724 A CB -1.185 17.440 19.000 -0.624 0.000 0.985 724 A HN 0.776 nan 8.150 nan 0.000 0.603 725 D N -2.024 118.285 120.400 -0.153 0.000 4.515 725 D HA 0.426 5.088 4.640 0.038 0.000 0.237 725 D C 1.458 177.794 176.300 0.060 0.000 1.726 725 D CA 0.976 54.990 54.000 0.024 0.000 1.128 725 D CB -0.425 40.400 40.800 0.042 0.000 1.677 725 D HN 0.547 nan 8.370 nan 0.000 0.603 726 G N 0.608 109.432 108.800 0.041 0.000 2.692 726 G HA2 -0.332 3.651 3.960 0.038 0.000 0.339 726 G HA3 -0.332 3.651 3.960 0.038 0.000 0.339 726 G C 0.807 175.754 174.900 0.078 0.000 1.226 726 G CA 2.315 47.444 45.100 0.048 0.000 0.979 726 G HN 1.037 nan 8.290 nan 0.000 0.549 727 S N 0.058 115.814 115.700 0.092 0.000 2.582 727 S HA 0.468 4.961 4.470 0.038 0.000 0.234 727 S C 1.549 176.223 174.600 0.123 0.000 0.961 727 S CA 0.835 59.087 58.200 0.085 0.000 0.953 727 S CB 0.168 63.398 63.200 0.051 0.000 0.800 727 S HN 0.840 nan 8.310 nan 0.000 0.471 728 F N 2.518 122.466 119.950 -0.003 0.000 2.113 728 F HA 0.015 4.564 4.527 0.038 0.000 0.297 728 F C 2.136 177.933 175.800 -0.005 0.000 1.103 728 F CA 1.465 59.462 58.000 -0.004 0.000 1.248 728 F CB -0.184 38.815 39.000 -0.002 0.000 0.999 728 F HN 0.154 nan 8.300 nan 0.000 0.475 729 M N 0.196 119.932 119.600 0.227 0.000 2.175 729 M HA -0.163 4.340 4.480 0.038 0.000 0.264 729 M C 1.789 178.081 176.300 -0.012 0.000 1.063 729 M CA 1.294 56.639 55.300 0.074 0.000 1.119 729 M CB -1.381 31.299 32.600 0.132 0.000 1.377 729 M HN 0.127 nan 8.290 nan 0.000 0.415 730 D N 0.619 121.026 120.400 0.012 0.000 2.123 730 D HA -0.158 4.505 4.640 0.038 0.000 0.196 730 D C 1.977 178.250 176.300 -0.045 0.000 0.992 730 D CA 1.168 55.162 54.000 -0.010 0.000 0.833 730 D CB -0.137 40.666 40.800 0.006 0.000 0.954 730 D HN 0.490 nan 8.370 nan 0.000 0.455 731 E N 0.229 120.386 120.200 -0.071 0.000 2.077 731 E HA -0.128 4.245 4.350 0.038 0.000 0.193 731 E C 2.130 178.641 176.600 -0.147 0.000 0.989 731 E CA 0.218 56.555 56.400 -0.106 0.000 0.800 731 E CB -0.047 29.574 29.700 -0.131 0.000 0.746 731 E HN 0.171 nan 8.360 nan 0.000 0.452 732 L N 1.042 122.138 121.223 -0.212 0.000 2.056 732 L HA -0.159 4.203 4.340 0.038 0.000 0.207 732 L C 2.083 178.879 176.870 -0.124 0.000 1.078 732 L CA 1.327 56.039 54.840 -0.214 0.000 0.749 732 L CB -0.412 41.469 42.059 -0.298 0.000 0.901 732 L HN 0.210 nan 8.230 nan 0.000 0.433 733 L N 0.003 121.173 121.223 -0.088 0.000 2.083 733 L HA -0.162 4.201 4.340 0.038 0.000 0.209 733 L C 2.638 179.480 176.870 -0.046 0.000 1.083 733 L CA 1.700 56.507 54.840 -0.054 0.000 0.752 733 L CB -1.879 40.160 42.059 -0.034 0.000 0.899 733 L HN 0.265 nan 8.230 nan 0.000 0.433 734 T N -0.026 114.498 114.554 -0.050 0.000 2.746 734 T HA -0.161 4.212 4.350 0.038 0.000 0.267 734 T C 2.116 176.784 174.700 -0.054 0.000 1.039 734 T CA 1.078 63.154 62.100 -0.040 0.000 1.142 734 T CB -0.169 68.676 68.868 -0.038 0.000 0.866 734 T HN 0.202 nan 8.240 nan 0.000 0.444 735 L N 0.172 121.344 121.223 -0.084 0.000 2.056 735 L HA -0.022 4.341 4.340 0.038 0.000 0.207 735 L C 2.663 179.468 176.870 -0.107 0.000 1.078 735 L CA 1.176 55.948 54.840 -0.113 0.000 0.749 735 L CB -0.502 41.470 42.059 -0.145 0.000 0.901 735 L HN 0.299 nan 8.230 nan 0.000 0.433 736 M N -0.739 118.813 119.600 -0.080 0.000 2.229 736 M HA -0.155 4.348 4.480 0.038 0.000 0.264 736 M C 2.469 178.772 176.300 0.006 0.000 1.063 736 M CA 1.596 56.868 55.300 -0.046 0.000 1.114 736 M CB -0.498 32.084 32.600 -0.031 0.000 1.387 736 M HN 0.305 nan 8.290 nan 0.000 0.420 737 A N 0.421 123.245 122.820 0.006 0.000 2.019 737 A HA 0.009 4.351 4.320 0.038 0.000 0.219 737 A C 2.151 179.778 177.584 0.073 0.000 1.164 737 A CA 1.774 53.834 52.037 0.039 0.000 0.644 737 A CB -0.644 18.372 19.000 0.025 0.000 0.805 737 A HN 0.505 nan 8.150 nan 0.000 0.449 738 A N -2.727 120.114 122.820 0.035 0.000 2.307 738 A HA 0.368 4.711 4.320 0.038 0.000 0.218 738 A C 0.903 178.512 177.584 0.042 0.000 1.228 738 A CA 1.200 53.270 52.037 0.055 0.000 0.857 738 A CB -0.492 18.496 19.000 -0.020 0.000 0.897 738 A HN 0.955 nan 8.150 nan 0.000 0.495 739 H N -1.253 117.767 119.070 -0.083 0.000 4.884 739 H HA -0.190 4.389 4.556 0.038 0.000 0.061 739 H C 0.055 175.176 175.328 -0.345 0.000 0.590 739 H CA 2.411 58.396 56.048 -0.106 0.000 0.961 739 H CB -0.562 29.255 29.762 0.092 0.000 0.443 739 H HN 0.461 nan 8.280 nan 0.000 0.794 740 R N -0.465 119.487 120.500 -0.913 0.000 2.799 740 R HA 0.608 4.971 4.340 0.038 0.000 0.270 740 R C -0.785 174.650 176.300 -1.441 0.000 1.010 740 R CA -0.260 55.058 56.100 -1.303 0.000 0.916 740 R CB 1.770 30.956 30.300 -1.856 0.000 1.228 740 R HN 0.068 nan 8.270 nan 0.000 0.469 741 V N 2.373 121.663 119.914 -1.040 0.000 2.221 741 V HA 0.122 4.265 4.120 0.038 0.000 0.258 741 V C 0.666 176.371 176.094 -0.648 0.000 1.179 741 V CA -0.451 61.424 62.300 -0.709 0.000 1.022 741 V CB -0.189 31.370 31.823 -0.440 0.000 1.228 741 V HN 0.713 nan 8.190 nan 0.000 0.487 742 W N 1.591 122.598 121.300 -0.488 0.000 2.374 742 W HA -0.196 4.486 4.660 0.038 0.000 0.288 742 W C 2.591 178.893 176.519 -0.361 0.000 1.218 742 W CA 0.969 57.931 57.345 -0.639 0.000 1.245 742 W CB -0.459 28.171 29.460 -1.383 0.000 1.126 742 W HN 0.650 nan 8.180 nan 0.000 0.545 743 S N 0.866 116.512 115.700 -0.090 0.000 2.440 743 S HA -0.238 4.255 4.470 0.038 0.000 0.238 743 S C 1.750 176.312 174.600 -0.065 0.000 1.010 743 S CA 1.234 59.405 58.200 -0.048 0.000 0.972 743 S CB -0.534 62.636 63.200 -0.049 0.000 0.774 743 S HN 0.418 nan 8.310 nan 0.000 0.501 744 R N 0.691 121.110 120.500 -0.136 0.000 2.235 744 R HA 0.188 4.551 4.340 0.038 0.000 0.213 744 R C 1.930 178.160 176.300 -0.116 0.000 1.059 744 R CA 0.693 56.694 56.100 -0.165 0.000 0.997 744 R CB -0.400 29.695 30.300 -0.341 0.000 0.884 744 R HN 0.507 nan 8.270 nan 0.000 0.462 745 I N 1.905 122.443 120.570 -0.053 0.000 2.151 745 I HA -0.238 3.955 4.170 0.038 0.000 0.243 745 I C -0.739 175.398 176.117 0.034 0.000 1.080 745 I CA 1.290 62.602 61.300 0.019 0.000 1.339 745 I CB -0.981 37.081 38.000 0.102 0.000 1.039 745 I HN 0.183 nan 8.210 nan 0.000 0.409 746 P HA -0.170 nan 4.420 nan 0.000 0.219 746 P C 1.163 178.490 177.300 0.045 0.000 1.146 746 P CA 1.518 64.646 63.100 0.046 0.000 0.808 746 P CB -0.136 31.589 31.700 0.043 0.000 0.779 747 K N -0.271 120.151 120.400 0.037 0.000 2.366 747 K HA 0.031 4.374 4.320 0.038 0.000 0.198 747 K C 2.124 178.782 176.600 0.097 0.000 1.044 747 K CA 0.704 57.037 56.287 0.076 0.000 0.973 747 K CB -0.429 32.147 32.500 0.126 0.000 0.767 747 K HN 0.292 nan 8.250 nan 0.000 0.475 748 I N -1.305 119.287 120.570 0.037 0.000 2.546 748 I HA -0.124 4.068 4.170 0.038 0.000 0.255 748 I C 1.052 177.209 176.117 0.068 0.000 1.163 748 I CA 1.289 62.613 61.300 0.041 0.000 1.457 748 I CB -0.123 37.849 38.000 -0.046 0.000 1.092 748 I HN -0.141 nan 8.210 nan 0.000 0.434 749 D N 1.821 122.261 120.400 0.067 0.000 2.218 749 D HA -0.145 4.518 4.640 0.038 0.000 0.204 749 D C 1.977 178.316 176.300 0.066 0.000 0.976 749 D CA 1.143 55.184 54.000 0.069 0.000 0.853 749 D CB -0.075 40.767 40.800 0.070 0.000 0.939 749 D HN 0.316 nan 8.370 nan 0.000 0.481 750 K N 0.159 120.599 120.400 0.068 0.000 2.296 750 K HA 0.125 4.468 4.320 0.038 0.000 0.200 750 K C 0.895 177.530 176.600 0.058 0.000 1.048 750 K CA -0.028 56.295 56.287 0.059 0.000 0.966 750 K CB 0.203 32.737 32.500 0.057 0.000 0.754 750 K HN 0.212 nan 8.250 nan 0.000 0.466 751 I N 2.593 123.207 120.570 0.073 0.000 2.371 751 I HA 0.178 4.371 4.170 0.038 0.000 0.290 751 I C -2.232 173.920 176.117 0.059 0.000 1.028 751 I CA -2.365 58.974 61.300 0.065 0.000 1.345 751 I CB 1.082 39.140 38.000 0.096 0.000 1.407 751 I HN -0.016 nan 8.210 nan 0.000 0.501 752 P HA 0.318 nan 4.420 nan 0.000 0.247 752 P C -0.894 176.468 177.300 0.102 0.000 1.756 752 P CA -0.030 63.109 63.100 0.064 0.000 1.117 752 P CB 0.306 32.036 31.700 0.051 0.000 1.869 753 A N 0.000 122.884 122.820 0.107 0.000 2.254 753 A HA 0.000 4.343 4.320 0.038 0.000 0.244 753 A CA 0.000 52.152 52.037 0.191 0.000 0.836 753 A CB 0.000 19.013 19.000 0.022 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486