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 2o9z_1_A DATA FIRST_RESID 3 DATA SEQUENCE GKIDKILIVG GGTAGWMAAS YLGKALQGTA DITLLQAPDI PTLGVGEATI DATA SEQUENCE PNLQTAFFDF LGIPEDEWMR ECNASYKVAI KFINWRTAGE GTSEARELDG DATA SEQUENCE GPDHFYHSFG LLKYHEQIPL SHYWFDRSYR GKTVEPFDYA CYKEPVILDA DATA SEQUENCE NRSPRRLDGS KVTNYAWHFD AHLVADFLRR FATEKLGVRH VEDRVEHVQR DATA SEQUENCE DANGNIESVR TATGRVFDAD LFVDCSGFRG LLINKAMEEP FLDMSDHLLN DATA SEQUENCE DSAVATQVPH DDDANGVEPF TSAIAMKSGW TWKIPMLGRF GTGYVYSSRF DATA SEQUENCE ATEDEAVREF CEMWHLDPET QPLNRIRFRV GRNRRAWVGN CVSIGTSSCF DATA SEQUENCE VEPLESTGIY FVYAALYQLV KHFPDKSLNP VLTARFNREI ETMFDDTRDF DATA SEQUENCE IQAHFYFSPR TDTPFWRANK ELRLADGMQE KIDMYRAGMA INAPASDDAQ DATA SEQUENCE LYYGNFEEEF RNFWNNSNYY CVLAGLGLVP DAPSPRLAHM PQATESVDEV DATA SEQUENCE FGAVKDRQRN LLETLPSLHE FLRQ 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 3 G C 0.000 174.917 174.900 0.028 0.000 0.946 3 G CA 0.000 45.112 45.100 0.021 0.000 0.502 4 K N 0.569 120.992 120.400 0.039 0.000 2.276 4 K HA 0.433 4.759 4.320 0.010 0.000 0.259 4 K C 0.231 176.866 176.600 0.059 0.000 1.001 4 K CA -0.637 55.687 56.287 0.063 0.000 0.927 4 K CB 0.826 33.371 32.500 0.075 0.000 0.969 4 K HN 0.166 nan 8.250 nan 0.000 0.490 5 I N 3.352 123.976 120.570 0.090 0.000 2.769 5 I HA -0.106 4.070 4.170 0.010 0.000 0.285 5 I C 0.513 176.673 176.117 0.073 0.000 1.173 5 I CA 0.485 61.829 61.300 0.073 0.000 1.389 5 I CB -0.173 37.907 38.000 0.134 0.000 1.404 5 I HN 0.748 nan 8.210 nan 0.000 0.544 6 D N 5.670 126.087 120.400 0.027 0.000 2.301 6 D HA 0.065 4.711 4.640 0.010 0.000 0.206 6 D C 0.477 176.775 176.300 -0.004 0.000 0.979 6 D CA 0.976 54.984 54.000 0.014 0.000 0.874 6 D CB 0.643 41.446 40.800 0.005 0.000 0.968 6 D HN 0.469 nan 8.370 nan 0.000 0.510 7 K N 0.349 120.733 120.400 -0.028 0.000 2.482 7 K HA 0.546 4.872 4.320 0.010 0.000 0.251 7 K C -0.941 175.582 176.600 -0.128 0.000 0.936 7 K CA -0.424 55.826 56.287 -0.063 0.000 0.791 7 K CB 2.852 35.312 32.500 -0.066 0.000 1.213 7 K HN -0.182 nan 8.250 nan 0.000 0.428 8 I N 3.423 123.917 120.570 -0.127 0.000 2.498 8 I HA 0.331 4.507 4.170 0.010 0.000 0.290 8 I C -1.228 174.761 176.117 -0.214 0.000 1.032 8 I CA -1.095 60.091 61.300 -0.189 0.000 1.073 8 I CB 1.751 39.696 38.000 -0.092 0.000 1.251 8 I HN 0.327 nan 8.210 nan 0.000 0.426 9 L N 7.831 128.851 121.223 -0.337 0.000 2.298 9 L HA 0.580 4.926 4.340 0.010 0.000 0.284 9 L C -0.772 176.005 176.870 -0.155 0.000 1.013 9 L CA -0.050 54.649 54.840 -0.235 0.000 0.824 9 L CB 0.987 42.917 42.059 -0.216 0.000 1.221 9 L HN 0.406 nan 8.230 nan 0.000 0.418 10 I N 5.820 126.297 120.570 -0.155 0.000 2.325 10 I HA 0.298 4.474 4.170 0.010 0.000 0.291 10 I C -0.531 175.490 176.117 -0.160 0.000 1.019 10 I CA -0.690 60.515 61.300 -0.158 0.000 1.302 10 I CB 1.471 39.340 38.000 -0.219 0.000 1.401 10 I HN 0.251 nan 8.210 nan 0.000 0.485 11 V N 5.986 125.836 119.914 -0.106 0.000 2.350 11 V HA 0.776 4.902 4.120 0.010 0.000 0.276 11 V C 0.432 176.455 176.094 -0.119 0.000 1.028 11 V CA -0.314 61.926 62.300 -0.100 0.000 0.860 11 V CB 0.699 32.498 31.823 -0.041 0.000 0.990 11 V HN 1.070 nan 8.190 nan 0.000 0.453 12 G N 3.510 112.226 108.800 -0.140 0.000 2.906 12 G HA2 0.328 4.294 3.960 0.010 0.000 0.686 12 G HA3 0.328 4.294 3.960 0.010 0.000 0.686 12 G C -0.128 174.635 174.900 -0.229 0.000 1.170 12 G CA -0.463 44.558 45.100 -0.131 0.000 0.775 12 G HN 1.304 nan 8.290 nan 0.000 0.630 13 G N 0.676 109.370 108.800 -0.176 0.000 4.876 13 G HA2 0.753 4.719 3.960 0.010 0.000 0.304 13 G HA3 0.753 4.719 3.960 0.010 0.000 0.304 13 G C 0.587 175.501 174.900 0.024 0.000 1.396 13 G CA 0.837 45.754 45.100 -0.306 0.000 0.978 13 G HN 1.406 nan 8.290 nan 0.000 0.565 14 G N 0.123 108.942 108.800 0.032 0.000 3.019 14 G HA2 0.417 4.383 3.960 0.010 0.000 0.152 14 G HA3 0.417 4.383 3.960 0.010 0.000 0.152 14 G C 1.160 176.191 174.900 0.218 0.000 1.320 14 G CA 0.569 45.774 45.100 0.175 0.000 1.013 14 G HN 0.116 nan 8.290 nan 0.000 0.593 15 T N 1.303 115.969 114.554 0.186 0.000 2.622 15 T HA -0.094 4.262 4.350 0.010 0.000 0.266 15 T C 2.726 177.482 174.700 0.094 0.000 1.047 15 T CA 2.246 64.447 62.100 0.168 0.000 1.159 15 T CB -0.610 68.343 68.868 0.143 0.000 0.863 15 T HN 0.541 nan 8.240 nan 0.000 0.422 16 A N 1.402 124.238 122.820 0.028 0.000 1.902 16 A HA 0.127 4.453 4.320 0.010 0.000 0.217 16 A C 2.637 180.191 177.584 -0.050 0.000 1.181 16 A CA 1.938 53.964 52.037 -0.019 0.000 0.623 16 A CB -1.479 17.501 19.000 -0.034 0.000 0.818 16 A HN 0.515 nan 8.150 nan 0.000 0.443 17 G N -1.218 107.511 108.800 -0.119 0.000 2.514 17 G HA2 -0.298 3.668 3.960 0.010 0.000 0.217 17 G HA3 -0.298 3.668 3.960 0.010 0.000 0.217 17 G C 1.427 176.130 174.900 -0.329 0.000 1.198 17 G CA 1.070 45.994 45.100 -0.295 0.000 0.780 17 G HN 0.685 nan 8.290 nan 0.000 0.565 18 W N 0.383 121.694 121.300 0.017 0.000 2.402 18 W HA 0.135 4.801 4.660 0.010 0.000 0.286 18 W C 2.972 179.555 176.519 0.107 0.000 1.221 18 W CA 0.410 57.778 57.345 0.039 0.000 1.257 18 W CB -0.160 29.319 29.460 0.032 0.000 1.120 18 W HN 0.123 nan 8.180 nan 0.000 0.551 19 M N 0.019 119.778 119.600 0.265 0.000 2.086 19 M HA -0.205 4.281 4.480 0.010 0.000 0.261 19 M C 2.457 178.924 176.300 0.279 0.000 1.067 19 M CA 2.008 57.462 55.300 0.258 0.000 1.116 19 M CB -0.920 31.655 32.600 -0.041 0.000 1.348 19 M HN 0.073 nan 8.290 nan 0.000 0.407 20 A N 0.446 123.337 122.820 0.119 0.000 1.877 20 A HA -0.091 4.235 4.320 0.010 0.000 0.216 20 A C 2.385 180.041 177.584 0.121 0.000 1.186 20 A CA 2.043 54.130 52.037 0.082 0.000 0.620 20 A CB -1.031 17.951 19.000 -0.030 0.000 0.822 20 A HN 0.507 nan 8.150 nan 0.000 0.443 21 A N -0.519 122.352 122.820 0.084 0.000 1.883 21 A HA -0.104 4.222 4.320 0.010 0.000 0.217 21 A C 2.477 180.179 177.584 0.196 0.000 1.186 21 A CA 2.239 54.340 52.037 0.106 0.000 0.624 21 A CB -1.008 18.064 19.000 0.121 0.000 0.822 21 A HN 0.469 nan 8.150 nan 0.000 0.444 22 S N -1.795 114.087 115.700 0.302 0.000 2.353 22 S HA -0.182 4.294 4.470 0.010 0.000 0.222 22 S C 1.889 176.644 174.600 0.258 0.000 1.035 22 S CA 1.626 60.014 58.200 0.313 0.000 1.025 22 S CB -0.625 62.811 63.200 0.393 0.000 0.902 22 S HN 0.639 nan 8.310 nan 0.000 0.440 23 Y N 1.933 122.351 120.300 0.197 0.000 2.114 23 Y HA -0.100 4.456 4.550 0.010 0.000 0.284 23 Y C 2.057 178.050 175.900 0.155 0.000 1.143 23 Y CA 1.439 59.658 58.100 0.198 0.000 1.135 23 Y CB -0.315 38.244 38.460 0.165 0.000 0.980 23 Y HN 0.132 nan 8.280 nan 0.000 0.499 24 L N -1.149 120.230 121.223 0.261 0.000 2.056 24 L HA -0.145 4.201 4.340 0.010 0.000 0.207 24 L C 2.714 179.586 176.870 0.004 0.000 1.078 24 L CA 1.187 56.084 54.840 0.096 0.000 0.749 24 L CB -1.216 40.878 42.059 0.058 0.000 0.901 24 L HN 0.346 nan 8.230 nan 0.000 0.433 25 G N 0.160 108.973 108.800 0.021 0.000 2.442 25 G HA2 -0.328 3.638 3.960 0.010 0.000 0.219 25 G HA3 -0.328 3.638 3.960 0.010 0.000 0.219 25 G C 1.682 176.531 174.900 -0.084 0.000 1.141 25 G CA 1.107 46.186 45.100 -0.036 0.000 0.763 25 G HN 0.216 nan 8.290 nan 0.000 0.554 26 K N 0.874 121.232 120.400 -0.071 0.000 2.044 26 K HA 0.282 4.608 4.320 0.010 0.000 0.204 26 K C 2.680 179.156 176.600 -0.207 0.000 1.049 26 K CA 1.388 57.573 56.287 -0.171 0.000 0.945 26 K CB -0.592 31.772 32.500 -0.227 0.000 0.724 26 K HN 0.127 nan 8.250 nan 0.000 0.440 27 A N 0.299 123.063 122.820 -0.094 0.000 1.969 27 A HA 0.017 4.343 4.320 0.010 0.000 0.218 27 A C 1.626 179.121 177.584 -0.149 0.000 1.169 27 A CA 1.337 53.343 52.037 -0.053 0.000 0.635 27 A CB -0.382 18.625 19.000 0.012 0.000 0.810 27 A HN 0.319 nan 8.150 nan 0.000 0.445 28 L N -0.786 120.337 121.223 -0.166 0.000 2.857 28 L HA 0.201 4.547 4.340 0.010 0.000 0.249 28 L C 0.704 177.498 176.870 -0.126 0.000 1.172 28 L CA -0.403 54.330 54.840 -0.179 0.000 0.980 28 L CB -0.168 41.761 42.059 -0.217 0.000 1.299 28 L HN 0.404 nan 8.230 nan 0.000 0.535 29 Q N 1.412 121.136 119.800 -0.126 0.000 2.308 29 Q HA 0.067 4.413 4.340 0.010 0.000 0.313 29 Q C 1.376 177.320 176.000 -0.093 0.000 1.075 29 Q CA 1.351 57.085 55.803 -0.114 0.000 0.995 29 Q CB 0.393 29.051 28.738 -0.134 0.000 1.107 29 Q HN 0.461 nan 8.270 nan 0.000 0.380 30 G N 2.539 111.292 108.800 -0.078 0.000 2.189 30 G HA2 -0.330 3.636 3.960 0.010 0.000 0.267 30 G HA3 -0.330 3.636 3.960 0.010 0.000 0.267 30 G C 0.499 175.370 174.900 -0.049 0.000 0.975 30 G CA 0.849 45.913 45.100 -0.061 0.000 0.644 30 G HN 0.886 nan 8.290 nan 0.000 0.537 31 T N -3.886 110.637 114.554 -0.053 0.000 3.111 31 T HA 0.751 5.107 4.350 0.010 0.000 0.284 31 T C 0.364 175.048 174.700 -0.025 0.000 0.983 31 T CA 1.045 63.123 62.100 -0.037 0.000 0.900 31 T CB 0.944 69.788 68.868 -0.041 0.000 1.132 31 T HN 1.902 nan 8.240 nan 0.000 0.531 32 A N 0.619 123.419 122.820 -0.032 0.000 2.566 32 A HA 0.615 4.940 4.320 0.010 0.000 0.297 32 A C -1.806 175.764 177.584 -0.024 0.000 1.059 32 A CA -0.773 51.254 52.037 -0.017 0.000 0.691 32 A CB 1.270 20.267 19.000 -0.006 0.000 1.282 32 A HN 0.203 nan 8.150 nan 0.000 0.401 33 D N 1.867 122.256 120.400 -0.018 0.000 2.280 33 D HA 0.481 5.127 4.640 0.010 0.000 0.243 33 D C -0.535 175.752 176.300 -0.022 0.000 1.129 33 D CA 0.472 54.462 54.000 -0.016 0.000 0.848 33 D CB 1.304 42.100 40.800 -0.006 0.000 1.107 33 D HN 0.437 nan 8.370 nan 0.000 0.471 34 I N 1.696 122.254 120.570 -0.020 0.000 2.378 34 I HA 0.186 4.362 4.170 0.010 0.000 0.291 34 I C 0.246 176.354 176.117 -0.016 0.000 0.992 34 I CA -0.383 60.898 61.300 -0.030 0.000 1.154 34 I CB 1.928 39.911 38.000 -0.029 0.000 1.315 34 I HN 0.013 nan 8.210 nan 0.000 0.448 35 T N 6.939 121.468 114.554 -0.041 0.000 2.829 35 T HA 0.548 4.904 4.350 0.010 0.000 0.280 35 T C -0.649 173.978 174.700 -0.122 0.000 0.999 35 T CA -0.463 61.613 62.100 -0.041 0.000 0.983 35 T CB 1.827 70.685 68.868 -0.017 0.000 0.968 35 T HN 0.347 nan 8.240 nan 0.000 0.446 36 L N 3.823 124.974 121.223 -0.120 0.000 2.341 36 L HA 0.653 4.999 4.340 0.010 0.000 0.278 36 L C -1.298 175.480 176.870 -0.153 0.000 1.005 36 L CA -0.882 53.818 54.840 -0.233 0.000 0.818 36 L CB 0.943 42.686 42.059 -0.526 0.000 1.259 36 L HN 0.545 nan 8.230 nan 0.000 0.418 37 L N 5.246 126.339 121.223 -0.216 0.000 2.272 37 L HA 0.512 4.858 4.340 0.010 0.000 0.289 37 L C -0.688 176.125 176.870 -0.095 0.000 1.032 37 L CA -0.172 54.553 54.840 -0.191 0.000 0.810 37 L CB 1.548 43.449 42.059 -0.263 0.000 1.205 37 L HN 0.668 nan 8.230 nan 0.000 0.422 38 Q N 3.751 123.552 119.800 0.000 0.000 2.271 38 Q HA 0.658 5.004 4.340 0.010 0.000 0.268 38 Q C -1.700 174.337 176.000 0.063 0.000 1.021 38 Q CA -0.656 55.183 55.803 0.061 0.000 0.802 38 Q CB 2.323 31.195 28.738 0.223 0.000 1.282 38 Q HN 0.707 nan 8.270 nan 0.000 0.431 39 A N 4.550 127.395 122.820 0.043 0.000 2.306 39 A HA 0.681 5.006 4.320 0.010 0.000 0.314 39 A C -2.337 175.278 177.584 0.053 0.000 1.164 39 A CA -1.550 50.509 52.037 0.038 0.000 0.822 39 A CB 0.411 19.425 19.000 0.023 0.000 1.130 39 A HN 0.644 nan 8.150 nan 0.000 0.496 40 P HA 0.105 nan 4.420 nan 0.000 0.259 40 P C -1.028 176.295 177.300 0.038 0.000 1.211 40 P CA 0.412 63.540 63.100 0.047 0.000 0.810 40 P CB 0.482 32.203 31.700 0.035 0.000 0.815 41 D N 2.557 122.981 120.400 0.040 0.000 2.272 41 D HA 0.325 4.971 4.640 0.010 0.000 0.247 41 D C 0.241 176.557 176.300 0.027 0.000 0.990 41 D CA -1.035 52.985 54.000 0.033 0.000 0.931 41 D CB 1.204 42.026 40.800 0.038 0.000 1.195 41 D HN 0.172 nan 8.370 nan 0.000 0.477 42 I N 3.493 124.078 120.570 0.026 0.000 2.752 42 I HA 0.041 4.217 4.170 0.010 0.000 0.286 42 I C -1.592 174.539 176.117 0.023 0.000 1.180 42 I CA -0.887 60.428 61.300 0.024 0.000 1.404 42 I CB 0.188 38.205 38.000 0.028 0.000 1.389 42 I HN 0.206 nan 8.210 nan 0.000 0.549 43 P HA 0.272 nan 4.420 nan 0.000 0.282 43 P C -0.524 176.785 177.300 0.015 0.000 1.259 43 P CA -0.481 62.599 63.100 -0.034 0.000 0.826 43 P CB 0.991 32.628 31.700 -0.104 0.000 1.064 44 T N -1.484 113.109 114.554 0.065 0.000 2.944 44 T HA 0.504 4.859 4.350 0.010 0.000 0.284 44 T C 0.593 175.470 174.700 0.296 0.000 1.010 44 T CA -0.946 61.274 62.100 0.200 0.000 1.025 44 T CB 0.253 69.283 68.868 0.270 0.000 1.079 44 T HN 0.187 nan 8.240 nan 0.000 0.516 45 L N 1.179 122.544 121.223 0.236 0.000 2.516 45 L HA 0.317 4.662 4.340 0.010 0.000 0.288 45 L C 1.379 178.427 176.870 0.296 0.000 1.246 45 L CA -0.115 54.863 54.840 0.229 0.000 0.844 45 L CB 0.015 42.172 42.059 0.162 0.000 1.106 45 L HN 1.019 nan 8.230 nan 0.000 0.509 46 G N 1.553 110.504 108.800 0.251 0.000 2.448 46 G HA2 0.376 4.342 3.960 0.010 0.000 0.309 46 G HA3 0.376 4.342 3.960 0.010 0.000 0.309 46 G C 0.671 175.649 174.900 0.129 0.000 1.027 46 G CA -0.349 44.828 45.100 0.128 0.000 1.104 46 G HN 0.620 nan 8.290 nan 0.000 0.428 47 V N 0.858 120.867 119.914 0.158 0.000 3.647 47 V HA 0.628 4.754 4.120 0.010 0.000 0.279 47 V C 1.050 177.357 176.094 0.355 0.000 1.314 47 V CA 0.035 62.518 62.300 0.306 0.000 1.125 47 V CB -1.021 31.082 31.823 0.467 0.000 0.907 47 V HN 1.593 nan 8.190 nan 0.000 0.434 48 G N 0.285 109.173 108.800 0.148 0.000 2.712 48 G HA2 0.077 4.043 3.960 0.010 0.000 0.686 48 G HA3 0.077 4.043 3.960 0.010 0.000 0.686 48 G C -0.923 173.903 174.900 -0.124 0.000 1.181 48 G CA -0.089 45.045 45.100 0.057 0.000 0.762 48 G HN 0.844 nan 8.290 nan 0.000 0.641 49 E N -0.217 119.864 120.200 -0.199 0.000 2.292 49 E HA 0.783 5.139 4.350 0.010 0.000 0.272 49 E C 0.019 176.427 176.600 -0.319 0.000 0.881 49 E CA 0.092 56.310 56.400 -0.304 0.000 0.754 49 E CB 1.793 31.310 29.700 -0.305 0.000 1.201 49 E HN 1.651 nan 8.360 nan 0.000 0.425 50 A N 2.498 125.232 122.820 -0.144 0.000 2.340 50 A HA 0.856 5.182 4.320 0.010 0.000 0.331 50 A C -0.331 177.295 177.584 0.070 0.000 1.140 50 A CA -0.144 51.938 52.037 0.077 0.000 0.801 50 A CB 1.323 20.444 19.000 0.202 0.000 1.234 50 A HN 0.700 nan 8.150 nan 0.000 0.469 51 T N -1.339 113.325 114.554 0.182 0.000 2.716 51 T HA 0.771 5.126 4.350 0.010 0.000 0.286 51 T C -0.206 174.667 174.700 0.289 0.000 1.052 51 T CA -0.304 61.962 62.100 0.277 0.000 1.024 51 T CB 0.846 69.986 68.868 0.453 0.000 1.349 51 T HN 1.317 nan 8.240 nan 0.000 0.525 52 I N -2.498 118.223 120.570 0.251 0.000 2.846 52 I HA 0.589 4.765 4.170 0.010 0.000 0.307 52 I C -2.481 173.568 176.117 -0.114 0.000 1.053 52 I CA -3.383 57.875 61.300 -0.070 0.000 1.050 52 I CB 2.252 40.292 38.000 0.066 0.000 1.239 52 I HN 0.280 nan 8.210 nan 0.000 0.439 53 P HA -0.172 nan 4.420 nan 0.000 0.218 53 P C 0.756 178.107 177.300 0.085 0.000 1.146 53 P CA 1.531 64.360 63.100 -0.452 0.000 0.813 53 P CB -0.227 30.830 31.700 -1.072 0.000 0.778 54 N N -0.514 118.293 118.700 0.177 0.000 2.521 54 N HA -0.088 4.658 4.740 0.010 0.000 0.188 54 N C 1.388 177.013 175.510 0.192 0.000 1.146 54 N CA 0.299 53.532 53.050 0.305 0.000 0.893 54 N CB -1.393 37.374 38.487 0.467 0.000 0.975 54 N HN 0.084 nan 8.380 nan 0.000 0.451 55 L N 0.175 121.551 121.223 0.254 0.000 2.043 55 L HA -0.188 4.158 4.340 0.010 0.000 0.212 55 L C 2.394 179.236 176.870 -0.047 0.000 1.075 55 L CA 1.864 56.673 54.840 -0.051 0.000 0.752 55 L CB -0.828 41.380 42.059 0.247 0.000 0.891 55 L HN 0.204 nan 8.230 nan 0.000 0.432 56 Q N -0.743 119.135 119.800 0.131 0.000 2.046 56 Q HA -0.145 4.201 4.340 0.010 0.000 0.200 56 Q C 2.218 178.295 176.000 0.128 0.000 0.975 56 Q CA 2.637 58.530 55.803 0.150 0.000 0.836 56 Q CB -0.519 28.383 28.738 0.274 0.000 0.896 56 Q HN 0.699 nan 8.270 nan 0.000 0.428 57 T N -2.737 111.899 114.554 0.137 0.000 3.014 57 T HA 0.211 4.567 4.350 0.010 0.000 0.263 57 T C 1.661 176.411 174.700 0.085 0.000 1.078 57 T CA 0.782 62.959 62.100 0.129 0.000 1.135 57 T CB -0.159 68.808 68.868 0.164 0.000 0.895 57 T HN 0.243 nan 8.240 nan 0.000 0.480 58 A N -0.713 122.106 122.820 -0.001 0.000 2.115 58 A HA 0.544 4.870 4.320 0.010 0.000 0.211 58 A C 1.600 179.089 177.584 -0.158 0.000 1.169 58 A CA 0.007 51.962 52.037 -0.136 0.000 0.787 58 A CB -0.345 18.466 19.000 -0.316 0.000 0.858 58 A HN 0.481 nan 8.150 nan 0.000 0.474 59 F N -1.917 117.780 119.950 -0.422 0.000 2.495 59 F HA 0.312 4.845 4.527 0.011 0.000 0.271 59 F C 1.532 177.158 175.800 -0.289 0.000 0.889 59 F CA 0.243 57.982 58.000 -0.435 0.000 1.129 59 F CB -0.183 38.279 39.000 -0.898 0.000 1.169 59 F HN 0.085 nan 8.300 nan 0.000 0.781 60 F N 1.636 121.374 119.950 -0.354 0.000 2.171 60 F HA -0.128 4.405 4.527 0.010 0.000 0.300 60 F C 2.219 177.863 175.800 -0.259 0.000 1.090 60 F CA 1.628 59.369 58.000 -0.432 0.000 1.293 60 F CB -0.839 37.928 39.000 -0.389 0.000 1.013 60 F HN 0.039 nan 8.300 nan 0.000 0.486 61 D N -0.553 119.876 120.400 0.047 0.000 2.117 61 D HA -0.208 4.438 4.640 0.010 0.000 0.197 61 D C 2.128 178.425 176.300 -0.005 0.000 0.987 61 D CA 0.983 55.007 54.000 0.041 0.000 0.829 61 D CB -0.639 40.209 40.800 0.080 0.000 0.961 61 D HN 0.210 nan 8.370 nan 0.000 0.460 62 F N 1.142 120.990 119.950 -0.169 0.000 2.126 62 F HA -0.127 4.407 4.527 0.010 0.000 0.299 62 F C 1.985 177.623 175.800 -0.271 0.000 1.096 62 F CA 1.160 59.026 58.000 -0.222 0.000 1.255 62 F CB -0.166 38.671 39.000 -0.271 0.000 0.997 62 F HN -0.083 nan 8.300 nan 0.000 0.479 63 L N -0.272 120.779 121.223 -0.287 0.000 2.395 63 L HA 0.126 4.472 4.340 0.010 0.000 0.218 63 L C 1.661 178.415 176.870 -0.194 0.000 1.130 63 L CA 0.697 55.360 54.840 -0.295 0.000 0.826 63 L CB -1.149 40.655 42.059 -0.425 0.000 0.941 63 L HN 0.401 nan 8.230 nan 0.000 0.451 64 G N 1.271 109.972 108.800 -0.165 0.000 2.182 64 G HA2 -0.267 3.699 3.960 0.010 0.000 0.248 64 G HA3 -0.267 3.699 3.960 0.010 0.000 0.248 64 G C -0.057 174.808 174.900 -0.058 0.000 1.042 64 G CA -0.226 44.820 45.100 -0.090 0.000 0.775 64 G HN 0.306 nan 8.290 nan 0.000 0.501 65 I N 1.034 121.568 120.570 -0.059 0.000 2.382 65 I HA 0.289 4.465 4.170 0.010 0.000 0.285 65 I C -2.081 174.063 176.117 0.045 0.000 1.007 65 I CA -2.521 58.767 61.300 -0.020 0.000 1.142 65 I CB 1.948 39.922 38.000 -0.042 0.000 1.289 65 I HN -0.142 nan 8.210 nan 0.000 0.453 66 P HA -0.019 nan 4.420 nan 0.000 0.267 66 P C 0.748 178.047 177.300 -0.001 0.000 1.200 66 P CA 0.023 63.140 63.100 0.027 0.000 0.772 66 P CB 0.779 32.482 31.700 0.004 0.000 0.855 67 E N 1.573 121.775 120.200 0.003 0.000 2.097 67 E HA -0.298 4.058 4.350 0.010 0.000 0.196 67 E C 0.806 177.111 176.600 -0.491 0.000 1.000 67 E CA 1.631 57.926 56.400 -0.174 0.000 0.804 67 E CB -0.068 29.672 29.700 0.067 0.000 0.740 67 E HN 0.402 nan 8.360 nan 0.000 0.454 68 D N 0.259 120.519 120.400 -0.233 0.000 2.144 68 D HA -0.149 4.496 4.640 0.010 0.000 0.199 68 D C 1.742 177.857 176.300 -0.308 0.000 0.984 68 D CA 0.789 54.646 54.000 -0.238 0.000 0.834 68 D CB -0.152 40.589 40.800 -0.100 0.000 0.955 68 D HN 0.277 nan 8.370 nan 0.000 0.465 69 E N 0.128 120.185 120.200 -0.237 0.000 2.007 69 E HA -0.139 4.217 4.350 0.010 0.000 0.194 69 E C 2.293 178.662 176.600 -0.386 0.000 0.999 69 E CA 1.158 57.450 56.400 -0.180 0.000 0.811 69 E CB -0.257 29.428 29.700 -0.025 0.000 0.762 69 E HN 0.484 nan 8.360 nan 0.000 0.450 70 W N 0.423 121.309 121.300 -0.690 0.000 2.358 70 W HA -0.160 4.505 4.660 0.009 0.000 0.303 70 W C 1.786 177.794 176.519 -0.852 0.000 1.208 70 W CA 0.501 57.121 57.345 -1.208 0.000 1.274 70 W CB -0.920 27.597 29.460 -1.571 0.000 1.138 70 W HN 0.064 nan 8.180 nan 0.000 0.515 71 M N 1.160 119.813 119.600 -1.579 0.000 2.082 71 M HA -0.226 4.260 4.480 0.010 0.000 0.258 71 M C 2.585 178.521 176.300 -0.606 0.000 1.069 71 M CA 2.189 56.722 55.300 -1.279 0.000 1.102 71 M CB -0.516 31.421 32.600 -1.105 0.000 1.336 71 M HN -0.004 nan 8.290 nan 0.000 0.404 72 R N -0.419 119.801 120.500 -0.465 0.000 2.081 72 R HA -0.147 4.199 4.340 0.010 0.000 0.235 72 R C 1.934 178.102 176.300 -0.220 0.000 1.131 72 R CA 1.334 57.269 56.100 -0.276 0.000 0.960 72 R CB -0.294 29.883 30.300 -0.206 0.000 0.856 72 R HN 0.489 nan 8.270 nan 0.000 0.436 73 E N -0.471 119.567 120.200 -0.270 0.000 2.274 73 E HA -0.102 4.254 4.350 0.010 0.000 0.194 73 E C 0.753 177.275 176.600 -0.130 0.000 0.996 73 E CA 0.568 56.867 56.400 -0.168 0.000 0.840 73 E CB 0.242 29.878 29.700 -0.108 0.000 0.772 73 E HN 0.321 nan 8.360 nan 0.000 0.491 74 C N 1.795 120.980 119.300 -0.191 0.000 2.589 74 C HA 0.185 4.651 4.460 0.010 0.000 0.307 74 C C -0.007 174.978 174.990 -0.007 0.000 1.328 74 C CA -0.864 58.111 59.018 -0.071 0.000 1.742 74 C CB -1.453 26.236 27.740 -0.084 0.000 2.037 74 C HN 0.365 nan 8.230 nan 0.000 0.592 75 N N 1.670 120.339 118.700 -0.051 0.000 2.702 75 N HA -0.193 4.553 4.740 0.010 0.000 0.261 75 N C 0.141 175.665 175.510 0.023 0.000 0.965 75 N CA 1.207 54.244 53.050 -0.022 0.000 0.795 75 N CB -0.763 37.738 38.487 0.023 0.000 0.909 75 N HN 0.758 nan 8.380 nan 0.000 0.546 76 A N -0.547 122.252 122.820 -0.035 0.000 2.322 76 A HA 0.611 4.937 4.320 0.010 0.000 0.269 76 A C 0.725 178.279 177.584 -0.050 0.000 1.094 76 A CA -0.040 52.038 52.037 0.068 0.000 0.807 76 A CB 1.107 20.139 19.000 0.053 0.000 1.047 76 A HN 0.330 nan 8.150 nan 0.000 0.487 77 S N -0.826 114.895 115.700 0.035 0.000 2.798 77 S HA 0.744 5.220 4.470 0.010 0.000 0.312 77 S C -1.399 173.082 174.600 -0.198 0.000 1.122 77 S CA -0.426 57.708 58.200 -0.110 0.000 0.949 77 S CB 0.463 63.709 63.200 0.076 0.000 1.235 77 S HN 0.457 nan 8.310 nan 0.000 0.552 78 Y N 1.542 121.825 120.300 -0.028 0.000 2.360 78 Y HA 0.521 5.077 4.550 0.009 0.000 0.337 78 Y C 0.344 176.055 175.900 -0.314 0.000 1.039 78 Y CA -0.578 57.383 58.100 -0.231 0.000 1.109 78 Y CB 1.178 39.431 38.460 -0.345 0.000 1.201 78 Y HN 0.491 nan 8.280 nan 0.000 0.458 79 K N 2.334 122.597 120.400 -0.229 0.000 2.358 79 K HA 0.524 4.850 4.320 0.010 0.000 0.260 79 K C -0.784 175.873 176.600 0.094 0.000 0.956 79 K CA -0.316 55.837 56.287 -0.223 0.000 0.834 79 K CB 1.237 33.454 32.500 -0.471 0.000 1.102 79 K HN 0.629 nan 8.250 nan 0.000 0.431 80 V N 2.236 122.207 119.914 0.095 0.000 3.565 80 V HA 0.292 4.418 4.120 0.010 0.000 0.260 80 V C 0.238 176.263 176.094 -0.116 0.000 1.231 80 V CA 0.805 63.161 62.300 0.093 0.000 1.100 80 V CB 0.409 32.239 31.823 0.010 0.000 0.807 80 V HN 0.858 nan 8.190 nan 0.000 0.454 81 A N -0.500 122.223 122.820 -0.162 0.000 2.566 81 A HA 0.712 5.038 4.320 0.010 0.000 0.290 81 A C -1.550 175.947 177.584 -0.144 0.000 1.071 81 A CA -0.556 51.286 52.037 -0.325 0.000 0.658 81 A CB 0.903 19.806 19.000 -0.162 0.000 1.285 81 A HN 0.072 nan 8.150 nan 0.000 0.427 82 I N 1.007 121.442 120.570 -0.226 0.000 2.359 82 I HA 0.389 4.565 4.170 0.010 0.000 0.294 82 I C 0.250 176.169 176.117 -0.330 0.000 0.987 82 I CA -0.408 60.743 61.300 -0.248 0.000 1.225 82 I CB 1.738 39.476 38.000 -0.437 0.000 1.366 82 I HN 0.616 nan 8.210 nan 0.000 0.466 83 K N 6.711 126.876 120.400 -0.392 0.000 2.263 83 K HA 0.409 4.734 4.320 0.010 0.000 0.272 83 K C -1.320 174.877 176.600 -0.671 0.000 1.033 83 K CA -0.491 55.409 56.287 -0.644 0.000 0.884 83 K CB 0.612 32.621 32.500 -0.819 0.000 1.107 83 K HN 0.320 nan 8.250 nan 0.000 0.460 84 F N 5.692 125.208 119.950 -0.723 0.000 2.421 84 F HA 0.335 4.868 4.527 0.010 0.000 0.358 84 F C 0.267 175.862 175.800 -0.340 0.000 1.115 84 F CA -0.424 57.125 58.000 -0.753 0.000 1.160 84 F CB 0.622 38.552 39.000 -1.784 0.000 1.123 84 F HN 0.266 nan 8.300 nan 0.000 0.508 85 I N 4.383 125.122 120.570 0.282 0.000 2.406 85 I HA 0.259 4.435 4.170 0.010 0.000 0.290 85 I C -0.166 176.148 176.117 0.328 0.000 0.999 85 I CA -0.721 60.726 61.300 0.245 0.000 1.124 85 I CB 1.314 39.390 38.000 0.127 0.000 1.289 85 I HN 0.583 nan 8.210 nan 0.000 0.441 86 N N 3.932 122.766 118.700 0.223 0.000 2.776 86 N HA -0.214 4.532 4.740 0.010 0.000 0.250 86 N C 0.051 175.558 175.510 -0.006 0.000 1.112 86 N CA 0.875 53.972 53.050 0.078 0.000 0.733 86 N CB -1.054 37.424 38.487 -0.015 0.000 1.097 86 N HN 0.714 nan 8.380 nan 0.000 0.558 87 W N 0.332 121.634 121.300 0.004 0.000 3.047 87 W HA 0.157 4.823 4.660 0.010 0.000 0.250 87 W C 1.959 178.371 176.519 -0.178 0.000 1.314 87 W CA 0.346 57.644 57.345 -0.078 0.000 1.540 87 W CB 0.153 29.671 29.460 0.097 0.000 1.127 87 W HN 0.119 nan 8.180 nan 0.000 0.679 88 R N -1.018 119.527 120.500 0.076 0.000 2.446 88 R HA 0.126 4.472 4.340 0.010 0.000 0.254 88 R C 0.480 176.739 176.300 -0.069 0.000 0.918 88 R CA 0.503 56.602 56.100 -0.001 0.000 1.069 88 R CB 0.412 30.746 30.300 0.057 0.000 1.194 88 R HN -0.085 nan 8.270 nan 0.000 0.534 89 T N -1.851 112.646 114.554 -0.095 0.000 2.887 89 T HA 0.725 5.081 4.350 0.010 0.000 0.288 89 T C -0.057 174.561 174.700 -0.137 0.000 1.021 89 T CA -0.956 61.089 62.100 -0.091 0.000 1.000 89 T CB 2.277 71.117 68.868 -0.047 0.000 1.034 89 T HN 0.065 nan 8.240 nan 0.000 0.467 90 A N 1.443 124.201 122.820 -0.103 0.000 2.425 90 A HA 0.828 5.154 4.320 0.010 0.000 0.249 90 A C 1.010 178.557 177.584 -0.063 0.000 1.084 90 A CA 0.410 52.393 52.037 -0.089 0.000 0.781 90 A CB -0.523 18.448 19.000 -0.050 0.000 1.019 90 A HN 2.088 nan 8.150 nan 0.000 0.490 91 G N 0.720 109.493 108.800 -0.045 0.000 2.320 91 G HA2 0.285 4.251 3.960 0.010 0.000 0.274 91 G HA3 0.285 4.251 3.960 0.010 0.000 0.274 91 G C -1.001 173.887 174.900 -0.021 0.000 1.324 91 G CA -0.740 44.344 45.100 -0.027 0.000 0.957 91 G HN 0.712 nan 8.290 nan 0.000 0.481 92 E N -0.166 120.012 120.200 -0.035 0.000 2.371 92 E HA 0.461 4.817 4.350 0.010 0.000 0.257 92 E C 0.881 177.428 176.600 -0.088 0.000 1.134 92 E CA 0.250 56.619 56.400 -0.051 0.000 0.919 92 E CB 0.770 30.430 29.700 -0.065 0.000 1.025 92 E HN 0.944 nan 8.360 nan 0.000 0.438 93 G N 0.698 109.420 108.800 -0.131 0.000 2.389 93 G HA2 0.206 4.172 3.960 0.010 0.000 0.287 93 G HA3 0.206 4.172 3.960 0.010 0.000 0.287 93 G C -0.069 174.682 174.900 -0.248 0.000 1.126 93 G CA 0.160 45.135 45.100 -0.209 0.000 1.073 93 G HN 0.225 nan 8.290 nan 0.000 0.429 94 T N -0.035 114.386 114.554 -0.221 0.000 2.906 94 T HA 0.454 4.810 4.350 0.010 0.000 0.295 94 T C 1.538 176.083 174.700 -0.257 0.000 1.061 94 T CA 0.144 62.104 62.100 -0.235 0.000 1.000 94 T CB 1.563 70.348 68.868 -0.137 0.000 1.103 94 T HN 0.576 nan 8.240 nan 0.000 0.486 95 S N 1.987 117.498 115.700 -0.315 0.000 2.496 95 S HA 0.179 4.654 4.470 0.010 0.000 0.224 95 S C 0.364 174.915 174.600 -0.082 0.000 0.996 95 S CA 0.069 58.096 58.200 -0.290 0.000 0.927 95 S CB -0.290 62.658 63.200 -0.420 0.000 0.774 95 S HN 0.766 nan 8.310 nan 0.000 0.524 96 E N 1.613 121.780 120.200 -0.054 0.000 2.197 96 E HA 0.595 4.951 4.350 0.010 0.000 0.281 96 E C -0.445 176.161 176.600 0.011 0.000 0.995 96 E CA -0.554 55.847 56.400 0.003 0.000 0.808 96 E CB 1.491 31.199 29.700 0.014 0.000 1.093 96 E HN 0.441 nan 8.360 nan 0.000 0.394 97 A N 4.051 126.898 122.820 0.046 0.000 2.511 97 A HA 0.063 4.389 4.320 0.010 0.000 0.242 97 A C 0.275 177.881 177.584 0.037 0.000 1.069 97 A CA 0.156 52.230 52.037 0.061 0.000 0.763 97 A CB 0.223 19.297 19.000 0.124 0.000 1.001 97 A HN 0.610 nan 8.150 nan 0.000 0.498 98 R N 1.142 121.655 120.500 0.021 0.000 2.637 98 R HA 0.248 4.594 4.340 0.010 0.000 0.269 98 R C -0.240 176.065 176.300 0.008 0.000 1.089 98 R CA -0.323 55.781 56.100 0.006 0.000 1.177 98 R CB 0.528 30.823 30.300 -0.009 0.000 1.091 98 R HN 0.815 nan 8.270 nan 0.000 0.540 99 E N 1.038 121.238 120.200 -0.001 0.000 2.338 99 E HA 0.170 4.526 4.350 0.010 0.000 0.272 99 E C -0.987 175.606 176.600 -0.012 0.000 1.029 99 E CA -0.114 56.282 56.400 -0.007 0.000 0.872 99 E CB 0.811 30.507 29.700 -0.008 0.000 1.015 99 E HN 0.101 nan 8.360 nan 0.000 0.417 100 L N 3.039 124.251 121.223 -0.019 0.000 2.505 100 L HA 0.270 4.615 4.340 0.010 0.000 0.266 100 L C -1.319 175.536 176.870 -0.025 0.000 0.954 100 L CA -0.421 54.408 54.840 -0.018 0.000 0.852 100 L CB 1.676 43.729 42.059 -0.010 0.000 1.282 100 L HN 0.416 nan 8.230 nan 0.000 0.403 101 D N 4.630 125.017 120.400 -0.021 0.000 2.692 101 D HA -0.178 4.468 4.640 0.010 0.000 0.233 101 D C 1.147 177.428 176.300 -0.030 0.000 1.172 101 D CA 1.833 55.820 54.000 -0.022 0.000 0.636 101 D CB -1.031 39.759 40.800 -0.017 0.000 1.028 101 D HN 1.359 nan 8.370 nan 0.000 0.419 102 G N -2.057 106.725 108.800 -0.030 0.000 2.195 102 G HA2 -0.069 3.897 3.960 0.010 0.000 0.246 102 G HA3 -0.069 3.897 3.960 0.010 0.000 0.246 102 G C 0.583 175.458 174.900 -0.042 0.000 0.984 102 G CA 0.389 45.469 45.100 -0.032 0.000 0.633 102 G HN 1.152 nan 8.290 nan 0.000 0.525 103 G N -0.909 107.858 108.800 -0.055 0.000 2.788 103 G HA2 0.769 4.735 3.960 0.010 0.000 0.293 103 G HA3 0.769 4.735 3.960 0.010 0.000 0.293 103 G C -3.249 171.606 174.900 -0.074 0.000 1.392 103 G CA -0.566 44.490 45.100 -0.072 0.000 0.810 103 G HN 0.186 nan 8.290 nan 0.000 0.508 104 P HA 0.180 nan 4.420 nan 0.000 0.271 104 P C -0.787 176.450 177.300 -0.105 0.000 1.216 104 P CA -0.147 62.928 63.100 -0.040 0.000 0.776 104 P CB 0.869 32.617 31.700 0.081 0.000 0.881 105 D N 2.990 123.389 120.400 -0.001 0.000 2.551 105 D HA 0.022 4.668 4.640 0.010 0.000 0.223 105 D C -0.336 176.032 176.300 0.114 0.000 1.144 105 D CA 0.064 54.087 54.000 0.038 0.000 1.025 105 D CB -0.739 40.097 40.800 0.059 0.000 1.085 105 D HN 0.443 nan 8.370 nan 0.000 0.506 106 H N 0.392 119.505 119.070 0.072 0.000 2.961 106 H HA 0.575 5.137 4.556 0.010 0.000 0.371 106 H C -1.270 174.113 175.328 0.091 0.000 1.190 106 H CA -1.092 54.941 56.048 -0.024 0.000 1.138 106 H CB 0.973 30.611 29.762 -0.206 0.000 1.816 106 H HN 0.122 nan 8.280 nan 0.000 0.551 107 F N -0.304 119.684 119.950 0.064 0.000 2.645 107 F HA 0.621 5.154 4.527 0.010 0.000 0.310 107 F C -2.192 173.546 175.800 -0.103 0.000 1.102 107 F CA -1.323 56.700 58.000 0.038 0.000 0.952 107 F CB 1.269 40.288 39.000 0.032 0.000 1.326 107 F HN 0.378 nan 8.300 nan 0.000 0.456 108 Y N 0.412 120.828 120.300 0.193 0.000 2.387 108 Y HA 0.380 4.936 4.550 0.011 0.000 0.336 108 Y C -0.367 175.598 175.900 0.109 0.000 1.067 108 Y CA -0.698 57.391 58.100 -0.017 0.000 1.114 108 Y CB 1.358 39.688 38.460 -0.217 0.000 1.208 108 Y HN 0.797 nan 8.280 nan 0.000 0.458 109 H N 2.130 121.283 119.070 0.138 0.000 2.691 109 H HA 0.469 5.031 4.556 0.010 0.000 0.281 109 H C -0.882 174.331 175.328 -0.193 0.000 1.121 109 H CA -0.466 55.604 56.048 0.037 0.000 1.254 109 H CB 0.560 30.458 29.762 0.227 0.000 1.390 109 H HN 0.689 nan 8.280 nan 0.000 0.491 110 S N 3.588 119.153 115.700 -0.224 0.000 2.646 110 S HA 0.092 4.568 4.470 0.010 0.000 0.276 110 S C 0.582 174.991 174.600 -0.319 0.000 1.222 110 S CA -0.742 57.222 58.200 -0.393 0.000 1.014 110 S CB 0.574 63.546 63.200 -0.381 0.000 0.991 110 S HN 0.513 nan 8.310 nan 0.000 0.533 111 F N 1.261 121.180 119.950 -0.052 0.000 2.802 111 F HA 0.207 4.741 4.527 0.011 0.000 0.300 111 F C 1.874 177.772 175.800 0.164 0.000 1.168 111 F CA -0.365 57.654 58.000 0.032 0.000 1.433 111 F CB -1.044 37.871 39.000 -0.142 0.000 1.115 111 F HN 0.629 nan 8.300 nan 0.000 0.582 112 G N 1.006 109.983 108.800 0.295 0.000 2.630 112 G HA2 0.293 4.259 3.960 0.010 0.000 0.236 112 G HA3 0.293 4.259 3.960 0.010 0.000 0.236 112 G C -0.246 174.845 174.900 0.319 0.000 1.248 112 G CA -0.545 44.745 45.100 0.318 0.000 0.844 112 G HN 0.159 nan 8.290 nan 0.000 0.588 113 L N 0.622 121.919 121.223 0.123 0.000 2.312 113 L HA 0.351 4.697 4.340 0.010 0.000 0.281 113 L C 0.498 177.244 176.870 -0.206 0.000 1.070 113 L CA -0.668 54.152 54.840 -0.034 0.000 0.805 113 L CB 1.261 43.274 42.059 -0.077 0.000 1.174 113 L HN 0.263 nan 8.230 nan 0.000 0.434 114 L N 4.124 125.181 121.223 -0.277 0.000 2.313 114 L HA 0.224 4.570 4.340 0.010 0.000 0.282 114 L C 0.257 176.893 176.870 -0.391 0.000 1.092 114 L CA -0.404 54.195 54.840 -0.402 0.000 0.831 114 L CB 0.669 42.552 42.059 -0.294 0.000 1.159 114 L HN 0.634 nan 8.230 nan 0.000 0.442 115 K N 4.582 124.776 120.400 -0.343 0.000 2.401 115 K HA 0.101 4.427 4.320 0.010 0.000 0.278 115 K C -0.808 175.650 176.600 -0.235 0.000 1.018 115 K CA -0.081 56.050 56.287 -0.261 0.000 0.981 115 K CB 0.403 32.767 32.500 -0.226 0.000 0.933 115 K HN 0.358 nan 8.250 nan 0.000 0.477 116 Y N 0.803 121.057 120.300 -0.078 0.000 2.304 116 Y HA 0.068 4.623 4.550 0.009 0.000 0.327 116 Y C 0.424 176.327 175.900 0.004 0.000 1.209 116 Y CA -0.242 57.839 58.100 -0.033 0.000 1.299 116 Y CB 0.921 39.359 38.460 -0.036 0.000 1.249 116 Y HN 0.592 nan 8.280 nan 0.000 0.519 117 H N 3.086 122.216 119.070 0.099 0.000 2.744 117 H HA 0.243 4.805 4.556 0.010 0.000 0.339 117 H C -0.729 174.640 175.328 0.068 0.000 1.004 117 H CA -1.070 54.939 56.048 -0.065 0.000 1.257 117 H CB 0.672 30.179 29.762 -0.425 0.000 1.552 117 H HN 0.622 nan 8.280 nan 0.000 0.522 118 E N 4.576 124.616 120.200 -0.267 0.000 2.297 118 E HA -0.300 4.056 4.350 0.010 0.000 0.228 118 E C -0.088 176.464 176.600 -0.079 0.000 1.213 118 E CA 1.195 57.475 56.400 -0.200 0.000 0.712 118 E CB -1.433 28.111 29.700 -0.259 0.000 1.202 118 E HN 1.018 nan 8.360 nan 0.000 0.376 119 Q N -2.565 117.174 119.800 -0.100 0.000 2.424 119 Q HA -0.214 4.132 4.340 0.010 0.000 0.234 119 Q C 0.132 176.015 176.000 -0.196 0.000 0.748 119 Q CA 1.498 57.159 55.803 -0.235 0.000 1.286 119 Q CB -0.948 27.669 28.738 -0.201 0.000 1.494 119 Q HN 0.548 nan 8.270 nan 0.000 0.683 120 I N 0.658 121.286 120.570 0.098 0.000 2.498 120 I HA 0.378 4.554 4.170 0.010 0.000 0.290 120 I C -2.345 174.011 176.117 0.398 0.000 1.032 120 I CA -2.507 58.903 61.300 0.183 0.000 1.073 120 I CB 2.025 40.080 38.000 0.090 0.000 1.251 120 I HN -0.267 nan 8.210 nan 0.000 0.426 121 P HA 0.015 nan 4.420 nan 0.000 0.268 121 P C 0.580 177.961 177.300 0.135 0.000 1.205 121 P CA -0.311 62.785 63.100 -0.007 0.000 0.771 121 P CB 0.819 32.399 31.700 -0.200 0.000 0.858 122 L N 3.744 125.014 121.223 0.078 0.000 2.127 122 L HA -0.230 4.116 4.340 0.010 0.000 0.211 122 L C 2.170 179.267 176.870 0.379 0.000 1.089 122 L CA 2.355 57.285 54.840 0.150 0.000 0.757 122 L CB -1.499 40.473 42.059 -0.145 0.000 0.899 122 L HN 0.435 nan 8.230 nan 0.000 0.434 123 S N -1.640 114.227 115.700 0.278 0.000 2.392 123 S HA -0.321 4.155 4.470 0.010 0.000 0.232 123 S C 1.909 176.730 174.600 0.368 0.000 1.041 123 S CA 1.750 60.098 58.200 0.246 0.000 1.026 123 S CB -0.991 61.834 63.200 -0.626 0.000 0.845 123 S HN 0.627 nan 8.310 nan 0.000 0.465 124 H N 0.078 119.216 119.070 0.114 0.000 2.403 124 H HA 0.194 4.756 4.556 0.010 0.000 0.298 124 H C 1.756 177.177 175.328 0.156 0.000 1.059 124 H CA 1.269 57.375 56.048 0.096 0.000 1.363 124 H CB -0.659 29.070 29.762 -0.055 0.000 1.410 124 H HN 0.566 nan 8.280 nan 0.000 0.528 125 Y N -1.443 119.092 120.300 0.392 0.000 2.220 125 Y HA -0.201 4.355 4.550 0.010 0.000 0.291 125 Y C 2.372 178.533 175.900 0.435 0.000 1.129 125 Y CA 0.898 59.217 58.100 0.364 0.000 1.161 125 Y CB -0.579 38.095 38.460 0.357 0.000 0.997 125 Y HN 0.246 nan 8.280 nan 0.000 0.522 126 W N 0.424 122.112 121.300 0.647 0.000 2.315 126 W HA -0.366 4.301 4.660 0.010 0.000 0.323 126 W C 2.232 178.932 176.519 0.302 0.000 1.233 126 W CA 2.124 59.738 57.345 0.450 0.000 1.267 126 W CB -1.034 28.749 29.460 0.538 0.000 1.160 126 W HN 0.124 nan 8.180 nan 0.000 0.474 127 F N 1.890 121.914 119.950 0.123 0.000 2.134 127 F HA -0.195 4.337 4.527 0.010 0.000 0.299 127 F C 2.210 177.847 175.800 -0.271 0.000 1.097 127 F CA 2.541 60.342 58.000 -0.332 0.000 1.264 127 F CB -1.198 37.821 39.000 0.031 0.000 1.001 127 F HN 0.040 nan 8.300 nan 0.000 0.479 128 D N -0.183 120.067 120.400 -0.249 0.000 2.116 128 D HA -0.230 4.416 4.640 0.010 0.000 0.193 128 D C 2.289 178.411 176.300 -0.297 0.000 0.998 128 D CA 1.843 55.671 54.000 -0.286 0.000 0.836 128 D CB -0.154 40.589 40.800 -0.094 0.000 0.951 128 D HN 0.292 nan 8.370 nan 0.000 0.449 129 R N -0.257 120.096 120.500 -0.245 0.000 2.092 129 R HA -0.029 4.317 4.340 0.010 0.000 0.231 129 R C 2.553 178.630 176.300 -0.372 0.000 1.119 129 R CA 1.175 57.130 56.100 -0.241 0.000 0.970 129 R CB -0.432 29.744 30.300 -0.206 0.000 0.864 129 R HN 0.098 nan 8.270 nan 0.000 0.440 130 S N -0.000 115.330 115.700 -0.616 0.000 2.368 130 S HA -0.188 4.288 4.470 0.010 0.000 0.224 130 S C 1.781 176.074 174.600 -0.511 0.000 1.029 130 S CA 1.002 58.819 58.200 -0.639 0.000 0.988 130 S CB -0.251 62.320 63.200 -1.048 0.000 0.838 130 S HN 0.451 nan 8.310 nan 0.000 0.462 131 Y N 1.736 121.524 120.300 -0.854 0.000 2.293 131 Y HA 0.077 4.633 4.550 0.010 0.000 0.291 131 Y C 2.088 177.751 175.900 -0.395 0.000 1.137 131 Y CA 1.455 59.134 58.100 -0.701 0.000 1.202 131 Y CB 0.009 37.868 38.460 -1.002 0.000 0.990 131 Y HN 0.170 nan 8.280 nan 0.000 0.537 132 R N -0.287 120.091 120.500 -0.203 0.000 2.334 132 R HA 0.180 4.526 4.340 0.010 0.000 0.220 132 R C 1.140 177.328 176.300 -0.186 0.000 0.917 132 R CA 0.570 56.574 56.100 -0.160 0.000 1.073 132 R CB 0.031 30.293 30.300 -0.063 0.000 1.056 132 R HN 0.508 nan 8.270 nan 0.000 0.506 133 G N 1.748 110.414 108.800 -0.223 0.000 2.147 133 G HA2 -0.262 3.704 3.960 0.010 0.000 0.244 133 G HA3 -0.262 3.704 3.960 0.010 0.000 0.244 133 G C 0.777 175.591 174.900 -0.143 0.000 1.005 133 G CA 0.117 45.109 45.100 -0.180 0.000 0.713 133 G HN 0.155 nan 8.290 nan 0.000 0.515 134 K N -0.417 119.890 120.400 -0.154 0.000 2.418 134 K HA 0.178 4.504 4.320 0.010 0.000 0.195 134 K C 0.994 177.515 176.600 -0.131 0.000 1.035 134 K CA 1.133 57.345 56.287 -0.124 0.000 1.003 134 K CB 0.434 32.867 32.500 -0.111 0.000 0.793 134 K HN 0.520 nan 8.250 nan 0.000 0.494 135 T N -0.685 113.774 114.554 -0.158 0.000 2.932 135 T HA 0.282 4.638 4.350 0.010 0.000 0.318 135 T C -0.013 174.629 174.700 -0.097 0.000 1.265 135 T CA -0.645 61.379 62.100 -0.126 0.000 1.036 135 T CB 1.541 70.315 68.868 -0.157 0.000 1.209 135 T HN -0.149 nan 8.240 nan 0.000 0.484 136 V N 1.066 120.958 119.914 -0.037 0.000 3.483 136 V HA 0.504 4.630 4.120 0.010 0.000 0.301 136 V C 0.657 176.801 176.094 0.084 0.000 1.389 136 V CA -0.181 62.121 62.300 0.005 0.000 1.101 136 V CB -0.436 31.380 31.823 -0.012 0.000 0.971 136 V HN 0.861 nan 8.190 nan 0.000 0.434 137 E N 2.548 122.820 120.200 0.120 0.000 2.376 137 E HA 0.227 4.583 4.350 0.010 0.000 0.266 137 E C -2.287 174.564 176.600 0.419 0.000 1.009 137 E CA -1.772 54.746 56.400 0.196 0.000 0.902 137 E CB 0.685 30.480 29.700 0.160 0.000 0.972 137 E HN 0.328 nan 8.360 nan 0.000 0.439 138 P HA -0.083 nan 4.420 nan 0.000 0.267 138 P C -0.017 177.385 177.300 0.170 0.000 1.200 138 P CA 0.039 63.330 63.100 0.317 0.000 0.772 138 P CB 0.332 32.164 31.700 0.220 0.000 0.855 139 F N 3.581 123.291 119.950 -0.399 0.000 2.091 139 F HA -0.294 4.239 4.527 0.010 0.000 0.299 139 F C 1.756 177.368 175.800 -0.313 0.000 1.103 139 F CA 2.445 59.777 58.000 -1.113 0.000 1.228 139 F CB -0.547 37.709 39.000 -1.239 0.000 0.984 139 F HN 0.337 nan 8.300 nan 0.000 0.477 140 D N -0.836 119.423 120.400 -0.236 0.000 2.144 140 D HA -0.272 4.374 4.640 0.010 0.000 0.199 140 D C 1.955 178.183 176.300 -0.119 0.000 0.984 140 D CA 1.657 55.519 54.000 -0.230 0.000 0.834 140 D CB -1.517 39.280 40.800 -0.005 0.000 0.955 140 D HN 0.440 nan 8.370 nan 0.000 0.465 141 Y N 1.012 121.290 120.300 -0.036 0.000 2.439 141 Y HA 0.243 4.799 4.550 0.011 0.000 0.292 141 Y C 2.732 178.635 175.900 0.006 0.000 1.130 141 Y CA 0.721 58.831 58.100 0.016 0.000 1.254 141 Y CB -0.254 38.241 38.460 0.059 0.000 1.000 141 Y HN 0.118 nan 8.280 nan 0.000 0.554 142 A N -1.896 120.977 122.820 0.088 0.000 1.935 142 A HA -0.070 4.256 4.320 0.010 0.000 0.214 142 A C 1.930 179.605 177.584 0.151 0.000 1.178 142 A CA 1.401 53.518 52.037 0.134 0.000 0.640 142 A CB -0.925 18.186 19.000 0.185 0.000 0.825 142 A HN 0.484 nan 8.150 nan 0.000 0.447 143 C N -2.342 116.889 119.300 -0.115 0.000 2.912 143 C HA 0.411 4.877 4.460 0.010 0.000 0.274 143 C C -0.022 174.681 174.990 -0.477 0.000 1.248 143 C CA -0.436 58.405 59.018 -0.295 0.000 1.694 143 C CB -1.218 26.136 27.740 -0.645 0.000 2.024 143 C HN 0.509 nan 8.230 nan 0.000 0.605 144 Y N 0.899 121.049 120.300 -0.249 0.000 2.462 144 Y HA 0.282 4.838 4.550 0.009 0.000 0.346 144 Y C 1.244 177.035 175.900 -0.182 0.000 0.976 144 Y CA -0.865 57.107 58.100 -0.214 0.000 1.044 144 Y CB 1.097 39.401 38.460 -0.260 0.000 1.230 144 Y HN -0.005 nan 8.280 nan 0.000 0.455 145 K N -0.082 120.322 120.400 0.006 0.000 2.288 145 K HA -0.070 4.256 4.320 0.010 0.000 0.201 145 K C 0.420 176.960 176.600 -0.101 0.000 1.048 145 K CA 1.603 57.865 56.287 -0.041 0.000 0.956 145 K CB 0.170 32.646 32.500 -0.039 0.000 0.746 145 K HN 0.630 nan 8.250 nan 0.000 0.461 146 E N 1.771 121.897 120.200 -0.123 0.000 2.031 146 E HA -0.085 4.271 4.350 0.010 0.000 0.193 146 E C -0.920 175.394 176.600 -0.477 0.000 0.994 146 E CA 1.295 57.542 56.400 -0.255 0.000 0.800 146 E CB -1.259 28.289 29.700 -0.253 0.000 0.752 146 E HN 0.299 nan 8.360 nan 0.000 0.447 147 P HA -0.213 nan 4.420 nan 0.000 0.217 147 P C 1.295 178.247 177.300 -0.580 0.000 1.158 147 P CA 1.245 63.725 63.100 -1.034 0.000 0.887 147 P CB 0.035 30.918 31.700 -1.362 0.000 0.792 148 V N -0.161 119.568 119.914 -0.309 0.000 2.343 148 V HA -0.219 3.907 4.120 0.010 0.000 0.247 148 V C 2.332 178.397 176.094 -0.049 0.000 1.051 148 V CA 2.052 64.332 62.300 -0.033 0.000 1.036 148 V CB -1.369 30.479 31.823 0.042 0.000 0.654 148 V HN 0.147 nan 8.190 nan 0.000 0.451 149 I N -2.445 118.058 120.570 -0.111 0.000 2.876 149 I HA -0.029 4.147 4.170 0.010 0.000 0.264 149 I C 2.064 178.141 176.117 -0.066 0.000 1.204 149 I CA 1.307 62.565 61.300 -0.070 0.000 1.485 149 I CB -0.437 37.519 38.000 -0.073 0.000 1.103 149 I HN 0.123 nan 8.210 nan 0.000 0.446 150 L N 0.934 122.055 121.223 -0.170 0.000 2.156 150 L HA -0.074 4.272 4.340 0.010 0.000 0.208 150 L C 2.020 178.923 176.870 0.056 0.000 1.095 150 L CA 0.911 55.687 54.840 -0.107 0.000 0.770 150 L CB -0.807 40.967 42.059 -0.476 0.000 0.914 150 L HN 0.216 nan 8.230 nan 0.000 0.439 151 D N 0.851 121.264 120.400 0.021 0.000 2.182 151 D HA -0.150 4.496 4.640 0.010 0.000 0.201 151 D C 1.777 178.166 176.300 0.147 0.000 0.986 151 D CA 1.506 55.592 54.000 0.142 0.000 0.847 151 D CB 0.122 41.048 40.800 0.209 0.000 0.942 151 D HN 0.321 nan 8.370 nan 0.000 0.467 152 A N 0.118 123.003 122.820 0.109 0.000 2.460 152 A HA 0.096 4.422 4.320 0.010 0.000 0.258 152 A C 0.213 177.857 177.584 0.099 0.000 1.300 152 A CA -0.252 51.844 52.037 0.098 0.000 0.913 152 A CB -0.108 18.934 19.000 0.069 0.000 1.031 152 A HN 0.017 nan 8.150 nan 0.000 0.512 153 N N 0.581 119.364 118.700 0.137 0.000 2.727 153 N HA -0.129 4.617 4.740 0.010 0.000 0.249 153 N C -0.450 175.100 175.510 0.067 0.000 1.048 153 N CA 0.801 53.922 53.050 0.118 0.000 0.714 153 N CB -0.920 37.626 38.487 0.098 0.000 0.959 153 N HN 0.515 nan 8.380 nan 0.000 0.544 154 R N 0.261 120.783 120.500 0.038 0.000 2.641 154 R HA 0.227 4.573 4.340 0.010 0.000 0.269 154 R C 0.947 177.216 176.300 -0.051 0.000 1.074 154 R CA -0.240 55.856 56.100 -0.005 0.000 1.133 154 R CB 0.587 30.870 30.300 -0.029 0.000 1.029 154 R HN 0.222 nan 8.270 nan 0.000 0.488 155 S N 2.150 117.794 115.700 -0.092 0.000 2.576 155 S HA 0.162 4.638 4.470 0.010 0.000 0.276 155 S C -1.366 173.027 174.600 -0.345 0.000 1.339 155 S CA -1.315 56.745 58.200 -0.234 0.000 1.039 155 S CB 0.624 63.664 63.200 -0.267 0.000 0.902 155 S HN 0.383 nan 8.310 nan 0.000 0.516 156 P HA 0.094 nan 4.420 nan 0.000 0.241 156 P C -0.277 176.681 177.300 -0.570 0.000 1.191 156 P CA 0.429 63.232 63.100 -0.494 0.000 0.771 156 P CB 0.202 31.551 31.700 -0.586 0.000 0.929 157 R N 0.049 120.043 120.500 -0.843 0.000 2.670 157 R HA 0.453 4.799 4.340 0.010 0.000 0.289 157 R C 0.461 176.434 176.300 -0.544 0.000 0.965 157 R CA -0.879 54.772 56.100 -0.749 0.000 0.899 157 R CB 2.118 31.759 30.300 -1.097 0.000 1.173 157 R HN -0.031 nan 8.270 nan 0.000 0.456 158 R N 1.382 121.742 120.500 -0.233 0.000 2.707 158 R HA 0.106 4.452 4.340 0.010 0.000 0.270 158 R C 1.488 177.850 176.300 0.103 0.000 1.083 158 R CA -0.318 55.744 56.100 -0.062 0.000 1.182 158 R CB 0.452 30.736 30.300 -0.027 0.000 1.084 158 R HN 0.515 nan 8.270 nan 0.000 0.528 159 L N 1.061 122.372 121.223 0.146 0.000 2.081 159 L HA -0.262 4.084 4.340 0.010 0.000 0.212 159 L C 1.850 178.809 176.870 0.147 0.000 1.080 159 L CA 1.669 56.620 54.840 0.185 0.000 0.754 159 L CB -0.687 41.424 42.059 0.085 0.000 0.893 159 L HN 0.764 nan 8.230 nan 0.000 0.433 160 D N -0.867 119.590 120.400 0.095 0.000 2.348 160 D HA -0.040 4.606 4.640 0.010 0.000 0.216 160 D C 1.512 177.868 176.300 0.094 0.000 0.970 160 D CA 1.132 55.175 54.000 0.071 0.000 0.889 160 D CB 0.163 40.986 40.800 0.039 0.000 0.912 160 D HN 0.357 nan 8.370 nan 0.000 0.524 161 G N -0.449 108.433 108.800 0.137 0.000 2.284 161 G HA2 -0.211 3.755 3.960 0.010 0.000 0.201 161 G HA3 -0.211 3.755 3.960 0.010 0.000 0.201 161 G C 0.271 175.197 174.900 0.044 0.000 0.998 161 G CA 0.103 45.289 45.100 0.143 0.000 0.651 161 G HN 0.746 nan 8.290 nan 0.000 0.489 162 S N 0.545 116.251 115.700 0.010 0.000 2.533 162 S HA 0.494 4.970 4.470 0.010 0.000 0.282 162 S C 0.129 174.691 174.600 -0.064 0.000 1.304 162 S CA 0.307 58.499 58.200 -0.012 0.000 1.063 162 S CB 1.933 65.129 63.200 -0.006 0.000 0.881 162 S HN 0.713 nan 8.310 nan 0.000 0.493 163 K N 1.892 122.271 120.400 -0.035 0.000 2.339 163 K HA 0.301 4.627 4.320 0.010 0.000 0.286 163 K C 0.607 177.183 176.600 -0.040 0.000 1.050 163 K CA -0.493 55.771 56.287 -0.039 0.000 0.956 163 K CB 0.581 33.112 32.500 0.052 0.000 0.990 163 K HN 0.647 nan 8.250 nan 0.000 0.475 164 V N 0.058 119.928 119.914 -0.073 0.000 3.578 164 V HA 0.243 4.369 4.120 0.010 0.000 0.290 164 V C 0.319 176.393 176.094 -0.033 0.000 1.376 164 V CA 0.192 62.460 62.300 -0.054 0.000 1.083 164 V CB 0.252 32.029 31.823 -0.075 0.000 0.911 164 V HN 0.768 nan 8.190 nan 0.000 0.433 165 T N 0.465 115.010 114.554 -0.015 0.000 2.786 165 T HA 0.371 4.727 4.350 0.010 0.000 0.316 165 T C -1.203 173.533 174.700 0.059 0.000 1.503 165 T CA -0.560 61.551 62.100 0.019 0.000 1.019 165 T CB 1.543 70.411 68.868 -0.000 0.000 1.415 165 T HN 0.447 nan 8.240 nan 0.000 0.496 166 N N 1.474 120.199 118.700 0.042 0.000 2.479 166 N HA 0.529 5.275 4.740 0.010 0.000 0.257 166 N C -1.017 174.482 175.510 -0.019 0.000 1.232 166 N CA 0.121 53.125 53.050 -0.076 0.000 0.920 166 N CB 0.314 38.761 38.487 -0.067 0.000 1.105 166 N HN 0.622 nan 8.380 nan 0.000 0.444 167 Y N -1.758 118.342 120.300 -0.334 0.000 2.641 167 Y HA 0.764 5.319 4.550 0.007 0.000 0.333 167 Y C -1.222 174.179 175.900 -0.832 0.000 1.174 167 Y CA -1.313 56.560 58.100 -0.377 0.000 1.057 167 Y CB 0.510 38.749 38.460 -0.368 0.000 1.322 167 Y HN 0.521 nan 8.280 nan 0.000 0.457 168 A N 0.842 123.312 122.820 -0.584 0.000 3.042 168 A HA 0.883 5.209 4.320 0.010 0.000 0.229 168 A C -1.800 175.352 177.584 -0.720 0.000 1.185 168 A CA -0.857 50.590 52.037 -0.983 0.000 0.844 168 A CB 1.118 19.898 19.000 -0.365 0.000 1.403 168 A HN 0.768 nan 8.150 nan 0.000 0.555 169 W N -0.523 120.915 121.300 0.231 0.000 2.936 169 W HA 0.498 5.162 4.660 0.006 0.000 0.338 169 W C -1.181 175.355 176.519 0.029 0.000 1.121 169 W CA -0.231 57.253 57.345 0.232 0.000 1.209 169 W CB 1.039 30.889 29.460 0.649 0.000 1.420 169 W HN 0.744 nan 8.180 nan 0.000 0.516 170 H N 1.683 120.931 119.070 0.297 0.000 2.459 170 H HA 0.490 5.052 4.556 0.011 0.000 0.332 170 H C -0.561 174.870 175.328 0.173 0.000 1.094 170 H CA -0.414 55.675 56.048 0.068 0.000 1.224 170 H CB 1.461 31.258 29.762 0.058 0.000 1.449 170 H HN 0.233 nan 8.280 nan 0.000 0.484 171 F N -0.968 119.180 119.950 0.331 0.000 2.741 171 F HA 0.251 4.784 4.527 0.010 0.000 0.313 171 F C -1.163 174.738 175.800 0.168 0.000 1.153 171 F CA -1.548 56.594 58.000 0.236 0.000 0.931 171 F CB 0.744 39.914 39.000 0.285 0.000 1.335 171 F HN 0.259 nan 8.300 nan 0.000 0.460 172 D N 1.313 121.980 120.400 0.445 0.000 2.338 172 D HA 0.403 5.049 4.640 0.010 0.000 0.255 172 D C 1.109 177.654 176.300 0.409 0.000 1.237 172 D CA 0.483 54.662 54.000 0.299 0.000 0.883 172 D CB 1.694 42.620 40.800 0.211 0.000 1.087 172 D HN 0.857 nan 8.370 nan 0.000 0.485 173 A N 5.054 128.060 122.820 0.311 0.000 1.986 173 A HA -0.249 4.077 4.320 0.010 0.000 0.220 173 A C 1.761 179.495 177.584 0.250 0.000 1.171 173 A CA 1.321 53.555 52.037 0.329 0.000 0.640 173 A CB -0.641 18.463 19.000 0.173 0.000 0.811 173 A HN 0.738 nan 8.150 nan 0.000 0.451 174 H N -0.012 119.193 119.070 0.225 0.000 2.387 174 H HA -0.071 4.491 4.556 0.010 0.000 0.299 174 H C 2.030 177.452 175.328 0.157 0.000 1.099 174 H CA 1.557 57.710 56.048 0.175 0.000 1.315 174 H CB -0.529 29.323 29.762 0.149 0.000 1.380 174 H HN 0.466 nan 8.280 nan 0.000 0.513 175 L N -0.302 121.085 121.223 0.273 0.000 2.056 175 L HA -0.111 4.235 4.340 0.010 0.000 0.207 175 L C 2.609 179.579 176.870 0.168 0.000 1.078 175 L CA 0.651 55.606 54.840 0.191 0.000 0.749 175 L CB -0.452 41.703 42.059 0.159 0.000 0.901 175 L HN 0.078 nan 8.230 nan 0.000 0.433 176 V N 0.299 120.289 119.914 0.127 0.000 2.358 176 V HA -0.252 3.874 4.120 0.010 0.000 0.246 176 V C 2.783 179.005 176.094 0.214 0.000 1.047 176 V CA 1.747 64.098 62.300 0.085 0.000 1.035 176 V CB -0.704 31.004 31.823 -0.192 0.000 0.658 176 V HN 0.459 nan 8.190 nan 0.000 0.452 177 A N -0.131 122.814 122.820 0.209 0.000 1.902 177 A HA -0.289 4.037 4.320 0.010 0.000 0.217 177 A C 1.935 179.565 177.584 0.076 0.000 1.181 177 A CA 2.256 54.426 52.037 0.222 0.000 0.623 177 A CB -0.715 18.461 19.000 0.293 0.000 0.818 177 A HN 0.574 nan 8.150 nan 0.000 0.443 178 D N -1.411 119.035 120.400 0.076 0.000 2.104 178 D HA -0.147 4.499 4.640 0.010 0.000 0.194 178 D C 1.566 177.857 176.300 -0.015 0.000 0.994 178 D CA 1.593 55.578 54.000 -0.024 0.000 0.830 178 D CB -0.247 40.586 40.800 0.054 0.000 0.959 178 D HN 0.440 nan 8.370 nan 0.000 0.452 179 F N 0.967 120.901 119.950 -0.026 0.000 2.091 179 F HA -0.179 4.353 4.527 0.009 0.000 0.299 179 F C 1.803 177.616 175.800 0.021 0.000 1.103 179 F CA 1.366 59.369 58.000 0.005 0.000 1.228 179 F CB -0.293 38.731 39.000 0.040 0.000 0.984 179 F HN -0.049 nan 8.300 nan 0.000 0.477 180 L N -0.170 121.100 121.223 0.079 0.000 2.141 180 L HA -0.180 4.166 4.340 0.010 0.000 0.209 180 L C 2.681 179.463 176.870 -0.146 0.000 1.094 180 L CA 1.452 56.331 54.840 0.065 0.000 0.763 180 L CB -0.710 41.524 42.059 0.291 0.000 0.908 180 L HN 0.132 nan 8.230 nan 0.000 0.437 181 R N 0.545 120.713 120.500 -0.554 0.000 2.073 181 R HA -0.149 4.197 4.340 0.010 0.000 0.234 181 R C 2.475 178.368 176.300 -0.678 0.000 1.134 181 R CA 1.337 56.673 56.100 -1.272 0.000 0.952 181 R CB -0.056 29.213 30.300 -1.719 0.000 0.850 181 R HN 0.271 nan 8.270 nan 0.000 0.433 182 R N -0.558 119.692 120.500 -0.418 0.000 2.081 182 R HA -0.163 4.183 4.340 0.010 0.000 0.235 182 R C 2.245 178.411 176.300 -0.223 0.000 1.131 182 R CA 1.701 57.635 56.100 -0.277 0.000 0.960 182 R CB -0.555 29.623 30.300 -0.203 0.000 0.856 182 R HN 0.231 nan 8.270 nan 0.000 0.436 183 F N 1.571 121.273 119.950 -0.413 0.000 2.051 183 F HA -0.184 4.349 4.527 0.010 0.000 0.296 183 F C 2.373 178.058 175.800 -0.191 0.000 1.122 183 F CA 1.524 59.323 58.000 -0.335 0.000 1.201 183 F CB -0.576 38.172 39.000 -0.420 0.000 0.978 183 F HN -0.007 nan 8.300 nan 0.000 0.472 184 A N -0.287 122.442 122.820 -0.152 0.000 1.908 184 A HA -0.234 4.092 4.320 0.010 0.000 0.218 184 A C 2.234 179.733 177.584 -0.143 0.000 1.181 184 A CA 2.803 54.767 52.037 -0.121 0.000 0.627 184 A CB -1.629 17.499 19.000 0.213 0.000 0.818 184 A HN 0.572 nan 8.150 nan 0.000 0.445 185 T N -2.486 111.979 114.554 -0.149 0.000 2.851 185 T HA -0.018 4.338 4.350 0.010 0.000 0.262 185 T C 1.615 176.241 174.700 -0.124 0.000 1.043 185 T CA 1.394 63.439 62.100 -0.091 0.000 1.140 185 T CB -0.237 68.578 68.868 -0.088 0.000 0.872 185 T HN 0.604 nan 8.240 nan 0.000 0.446 186 E N 0.924 121.019 120.200 -0.174 0.000 2.140 186 E HA 0.134 4.490 4.350 0.010 0.000 0.191 186 E C 2.106 178.589 176.600 -0.196 0.000 0.973 186 E CA 0.568 56.877 56.400 -0.151 0.000 0.829 186 E CB 0.164 29.788 29.700 -0.126 0.000 0.781 186 E HN 0.429 nan 8.360 nan 0.000 0.466 187 K N -0.093 120.109 120.400 -0.330 0.000 2.354 187 K HA 0.215 4.540 4.320 0.010 0.000 0.194 187 K C 1.194 177.548 176.600 -0.411 0.000 1.045 187 K CA 0.159 56.212 56.287 -0.390 0.000 1.026 187 K CB 0.730 32.927 32.500 -0.504 0.000 0.866 187 K HN -0.001 nan 8.250 nan 0.000 0.530 188 L N -0.609 120.364 121.223 -0.417 0.000 2.906 188 L HA 0.309 4.655 4.340 0.010 0.000 0.255 188 L C 0.658 177.430 176.870 -0.164 0.000 1.166 188 L CA -0.075 54.587 54.840 -0.296 0.000 0.977 188 L CB 0.893 42.759 42.059 -0.323 0.000 1.313 188 L HN 0.261 nan 8.230 nan 0.000 0.549 189 G N 1.120 109.841 108.800 -0.131 0.000 2.179 189 G HA2 -0.257 3.709 3.960 0.010 0.000 0.257 189 G HA3 -0.257 3.709 3.960 0.010 0.000 0.257 189 G C 0.229 175.114 174.900 -0.025 0.000 1.010 189 G CA 0.193 45.253 45.100 -0.067 0.000 0.736 189 G HN 0.141 nan 8.290 nan 0.000 0.513 190 V N 0.611 120.522 119.914 -0.005 0.000 2.555 190 V HA 0.299 4.425 4.120 0.010 0.000 0.286 190 V C 1.237 177.395 176.094 0.107 0.000 1.044 190 V CA -0.140 62.195 62.300 0.057 0.000 1.026 190 V CB 1.293 33.188 31.823 0.120 0.000 0.981 190 V HN 0.521 nan 8.190 nan 0.000 0.480 191 R N 4.124 124.684 120.500 0.101 0.000 2.298 191 R HA 0.224 4.570 4.340 0.010 0.000 0.310 191 R C -0.087 176.343 176.300 0.216 0.000 1.068 191 R CA -0.361 55.821 56.100 0.135 0.000 0.957 191 R CB 0.307 30.670 30.300 0.105 0.000 1.003 191 R HN 0.902 nan 8.270 nan 0.000 0.454 192 H N 4.160 123.314 119.070 0.140 0.000 2.519 192 H HA 0.321 4.883 4.556 0.010 0.000 0.316 192 H C -1.207 174.181 175.328 0.101 0.000 1.065 192 H CA -0.896 55.264 56.048 0.186 0.000 1.264 192 H CB 1.116 31.049 29.762 0.285 0.000 1.413 192 H HN 0.269 nan 8.280 nan 0.000 0.465 193 V N 6.112 126.058 119.914 0.052 0.000 2.378 193 V HA 0.086 4.212 4.120 0.010 0.000 0.288 193 V C 0.002 176.004 176.094 -0.153 0.000 1.016 193 V CA -0.828 61.420 62.300 -0.087 0.000 0.840 193 V CB 1.502 33.274 31.823 -0.084 0.000 0.994 193 V HN 0.806 nan 8.190 nan 0.000 0.431 194 E N 3.990 124.065 120.200 -0.210 0.000 1.996 194 E HA 0.422 4.778 4.350 0.010 0.000 0.280 194 E C -1.048 175.530 176.600 -0.036 0.000 1.092 194 E CA 0.091 56.415 56.400 -0.126 0.000 0.862 194 E CB 1.138 30.751 29.700 -0.146 0.000 1.066 194 E HN 0.674 nan 8.360 nan 0.000 0.396 195 D N 1.726 122.117 120.400 -0.015 0.000 2.683 195 D HA 0.194 4.840 4.640 0.010 0.000 0.246 195 D C -0.918 175.389 176.300 0.012 0.000 1.238 195 D CA -0.565 53.444 54.000 0.014 0.000 0.759 195 D CB 1.355 42.184 40.800 0.048 0.000 1.349 195 D HN 0.232 nan 8.370 nan 0.000 0.426 196 R N 0.590 121.106 120.500 0.027 0.000 2.428 196 R HA 0.585 4.931 4.340 0.010 0.000 0.294 196 R C -0.160 176.161 176.300 0.034 0.000 1.000 196 R CA -0.975 55.139 56.100 0.023 0.000 0.960 196 R CB 1.281 31.597 30.300 0.026 0.000 1.076 196 R HN 0.074 nan 8.270 nan 0.000 0.475 197 V N 2.357 122.284 119.914 0.022 0.000 2.540 197 V HA -0.076 4.050 4.120 0.010 0.000 0.297 197 V C 1.320 177.442 176.094 0.046 0.000 1.024 197 V CA 0.758 63.078 62.300 0.034 0.000 1.105 197 V CB 0.852 32.680 31.823 0.009 0.000 0.938 197 V HN 0.945 nan 8.190 nan 0.000 0.482 198 E N 3.056 123.301 120.200 0.074 0.000 2.332 198 E HA 0.129 4.485 4.350 0.010 0.000 0.202 198 E C 0.180 176.864 176.600 0.141 0.000 0.877 198 E CA 0.021 56.474 56.400 0.089 0.000 0.979 198 E CB 0.531 30.285 29.700 0.089 0.000 0.969 198 E HN 0.860 nan 8.360 nan 0.000 0.495 199 H N -0.829 118.251 119.070 0.018 0.000 3.026 199 H HA 0.413 4.975 4.556 0.010 0.000 0.352 199 H C -1.916 173.412 175.328 -0.001 0.000 1.090 199 H CA -0.772 55.279 56.048 0.006 0.000 1.268 199 H CB 1.584 31.351 29.762 0.009 0.000 1.816 199 H HN -0.095 nan 8.280 nan 0.000 0.518 200 V N 4.861 124.465 119.914 -0.516 0.000 2.384 200 V HA 0.288 4.414 4.120 0.010 0.000 0.287 200 V C -0.162 175.611 176.094 -0.535 0.000 1.020 200 V CA -0.698 61.369 62.300 -0.389 0.000 0.850 200 V CB 1.220 32.873 31.823 -0.283 0.000 0.987 200 V HN 0.724 nan 8.190 nan 0.000 0.436 201 Q N 4.810 124.447 119.800 -0.272 0.000 2.257 201 Q HA 0.550 4.896 4.340 0.010 0.000 0.255 201 Q C -0.424 175.502 176.000 -0.123 0.000 0.920 201 Q CA -0.138 55.589 55.803 -0.126 0.000 0.927 201 Q CB 1.164 29.937 28.738 0.058 0.000 1.229 201 Q HN 0.710 nan 8.270 nan 0.000 0.433 202 R N 1.924 122.367 120.500 -0.095 0.000 2.758 202 R HA 0.487 4.833 4.340 0.010 0.000 0.265 202 R C -0.581 175.702 176.300 -0.029 0.000 1.016 202 R CA -0.812 55.240 56.100 -0.079 0.000 1.040 202 R CB 0.853 31.105 30.300 -0.081 0.000 1.152 202 R HN 0.795 nan 8.270 nan 0.000 0.503 203 D N 0.079 120.467 120.400 -0.020 0.000 2.564 203 D HA 0.249 4.895 4.640 0.010 0.000 0.273 203 D C 0.629 176.928 176.300 -0.002 0.000 1.192 203 D CA -0.657 53.342 54.000 -0.001 0.000 1.080 203 D CB 0.326 41.132 40.800 0.010 0.000 1.160 203 D HN 0.402 nan 8.370 nan 0.000 0.607 204 A N -0.459 122.363 122.820 0.003 0.000 2.070 204 A HA -0.174 4.152 4.320 0.010 0.000 0.220 204 A C 1.449 179.033 177.584 -0.000 0.000 1.159 204 A CA 1.049 53.087 52.037 0.002 0.000 0.656 204 A CB -0.780 18.222 19.000 0.004 0.000 0.800 204 A HN 0.546 nan 8.150 nan 0.000 0.453 205 N N -0.858 117.842 118.700 0.001 0.000 2.398 205 N HA 0.135 4.881 4.740 0.010 0.000 0.188 205 N C 1.155 176.662 175.510 -0.004 0.000 1.122 205 N CA 0.961 54.010 53.050 -0.001 0.000 0.866 205 N CB 0.420 38.909 38.487 0.002 0.000 0.970 205 N HN 0.627 nan 8.380 nan 0.000 0.462 206 G N 0.729 109.523 108.800 -0.009 0.000 2.179 206 G HA2 -0.259 3.707 3.960 0.010 0.000 0.260 206 G HA3 -0.259 3.707 3.960 0.010 0.000 0.260 206 G C 0.067 174.954 174.900 -0.022 0.000 0.977 206 G CA -0.230 44.860 45.100 -0.017 0.000 0.641 206 G HN 0.281 nan 8.290 nan 0.000 0.533 207 N N 0.097 118.789 118.700 -0.013 0.000 2.513 207 N HA 0.461 5.207 4.740 0.010 0.000 0.274 207 N C 0.824 176.295 175.510 -0.065 0.000 1.189 207 N CA -0.391 52.653 53.050 -0.010 0.000 0.975 207 N CB 0.675 39.183 38.487 0.035 0.000 1.157 207 N HN 0.294 nan 8.380 nan 0.000 0.465 208 I N 1.224 121.701 120.570 -0.154 0.000 2.598 208 I HA -0.069 4.107 4.170 0.010 0.000 0.284 208 I C 1.768 177.772 176.117 -0.189 0.000 1.140 208 I CA 0.400 61.476 61.300 -0.373 0.000 1.420 208 I CB 0.571 37.994 38.000 -0.962 0.000 1.387 208 I HN 0.611 nan 8.210 nan 0.000 0.553 209 E N 3.965 124.098 120.200 -0.112 0.000 2.099 209 E HA 0.003 4.358 4.350 0.010 0.000 0.191 209 E C 0.109 176.782 176.600 0.122 0.000 0.962 209 E CA 0.498 56.922 56.400 0.040 0.000 0.826 209 E CB 0.514 30.228 29.700 0.024 0.000 0.788 209 E HN 0.773 nan 8.360 nan 0.000 0.461 210 S N -1.022 114.695 115.700 0.028 0.000 2.565 210 S HA 0.462 4.938 4.470 0.010 0.000 0.269 210 S C -1.072 173.557 174.600 0.048 0.000 1.153 210 S CA -1.059 57.221 58.200 0.134 0.000 0.835 210 S CB 2.081 65.365 63.200 0.139 0.000 1.122 210 S HN -0.062 nan 8.310 nan 0.000 0.462 211 V N 1.887 121.909 119.914 0.179 0.000 2.357 211 V HA 0.581 4.707 4.120 0.010 0.000 0.284 211 V C 0.213 176.447 176.094 0.233 0.000 1.018 211 V CA -0.577 61.812 62.300 0.149 0.000 0.841 211 V CB 1.239 33.164 31.823 0.170 0.000 0.991 211 V HN 0.913 nan 8.190 nan 0.000 0.437 212 R N 2.938 123.547 120.500 0.182 0.000 2.368 212 R HA 0.614 4.960 4.340 0.010 0.000 0.302 212 R C 0.255 176.661 176.300 0.177 0.000 1.002 212 R CA -0.253 55.961 56.100 0.189 0.000 0.929 212 R CB 1.503 31.904 30.300 0.167 0.000 1.073 212 R HN 0.879 nan 8.270 nan 0.000 0.464 213 T N 0.520 115.188 114.554 0.189 0.000 2.912 213 T HA 0.368 4.724 4.350 0.010 0.000 0.280 213 T C 1.378 176.139 174.700 0.102 0.000 0.989 213 T CA -0.261 61.929 62.100 0.149 0.000 0.995 213 T CB 1.655 70.639 68.868 0.193 0.000 1.077 213 T HN 0.612 nan 8.240 nan 0.000 0.531 214 A N 0.932 123.798 122.820 0.078 0.000 1.986 214 A HA -0.071 4.255 4.320 0.010 0.000 0.220 214 A C 2.389 180.003 177.584 0.050 0.000 1.171 214 A CA 2.318 54.389 52.037 0.056 0.000 0.640 214 A CB -1.733 17.294 19.000 0.044 0.000 0.811 214 A HN 1.153 nan 8.150 nan 0.000 0.451 215 T N -4.599 109.992 114.554 0.062 0.000 3.148 215 T HA 0.391 4.747 4.350 0.010 0.000 0.253 215 T C 1.366 176.091 174.700 0.043 0.000 1.134 215 T CA 1.064 63.194 62.100 0.050 0.000 1.051 215 T CB 0.015 68.917 68.868 0.056 0.000 0.959 215 T HN 1.751 nan 8.240 nan 0.000 0.525 216 G N 1.382 110.212 108.800 0.051 0.000 2.175 216 G HA2 -0.235 3.731 3.960 0.010 0.000 0.244 216 G HA3 -0.235 3.731 3.960 0.010 0.000 0.244 216 G C 0.139 175.052 174.900 0.022 0.000 0.982 216 G CA -0.282 44.837 45.100 0.032 0.000 0.641 216 G HN 0.670 nan 8.290 nan 0.000 0.527 217 R N -0.368 120.160 120.500 0.046 0.000 2.539 217 R HA 0.535 4.881 4.340 0.010 0.000 0.275 217 R C -0.115 176.163 176.300 -0.037 0.000 1.077 217 R CA -0.211 55.868 56.100 -0.035 0.000 1.097 217 R CB 1.440 31.734 30.300 -0.010 0.000 1.018 217 R HN 0.090 nan 8.270 nan 0.000 0.483 218 V N 4.299 124.078 119.914 -0.225 0.000 2.409 218 V HA 0.376 4.502 4.120 0.010 0.000 0.291 218 V C -0.879 175.028 176.094 -0.312 0.000 1.020 218 V CA -0.589 61.645 62.300 -0.111 0.000 0.848 218 V CB 1.076 32.871 31.823 -0.047 0.000 0.990 218 V HN 0.527 nan 8.190 nan 0.000 0.430 219 F N 4.098 124.095 119.950 0.079 0.000 2.467 219 F HA 0.537 5.070 4.527 0.010 0.000 0.336 219 F C 0.395 176.281 175.800 0.144 0.000 1.123 219 F CA -0.700 57.352 58.000 0.087 0.000 0.964 219 F CB 1.610 40.661 39.000 0.085 0.000 1.136 219 F HN 0.609 nan 8.300 nan 0.000 0.447 220 D N 2.033 122.575 120.400 0.237 0.000 2.340 220 D HA 0.836 5.482 4.640 0.010 0.000 0.243 220 D C -1.067 175.274 176.300 0.067 0.000 0.988 220 D CA -0.671 53.467 54.000 0.230 0.000 0.959 220 D CB 2.497 43.381 40.800 0.140 0.000 1.226 220 D HN 0.654 nan 8.370 nan 0.000 0.509 221 A N 0.436 123.211 122.820 -0.076 0.000 2.586 221 A HA 0.369 4.695 4.320 0.010 0.000 0.290 221 A C -0.466 176.957 177.584 -0.268 0.000 1.086 221 A CA -0.620 51.191 52.037 -0.376 0.000 0.665 221 A CB 1.439 19.892 19.000 -0.911 0.000 1.279 221 A HN 0.473 nan 8.150 nan 0.000 0.423 222 D N -0.740 119.528 120.400 -0.220 0.000 2.277 222 D HA 0.179 4.825 4.640 0.010 0.000 0.209 222 D C -0.097 176.130 176.300 -0.121 0.000 0.970 222 D CA 1.142 55.085 54.000 -0.095 0.000 0.874 222 D CB 0.398 41.163 40.800 -0.058 0.000 0.982 222 D HN 0.248 nan 8.370 nan 0.000 0.504 223 L N 0.107 121.160 121.223 -0.283 0.000 2.408 223 L HA 0.405 4.750 4.340 0.010 0.000 0.268 223 L C -1.662 174.944 176.870 -0.440 0.000 0.986 223 L CA -0.620 54.076 54.840 -0.241 0.000 0.820 223 L CB 1.891 43.812 42.059 -0.231 0.000 1.303 223 L HN -0.307 nan 8.230 nan 0.000 0.411 224 F N 4.271 124.152 119.950 -0.116 0.000 2.467 224 F HA 0.618 5.151 4.527 0.010 0.000 0.336 224 F C -0.221 175.484 175.800 -0.159 0.000 1.123 224 F CA -0.861 57.074 58.000 -0.108 0.000 0.964 224 F CB 1.987 40.944 39.000 -0.073 0.000 1.136 224 F HN 0.036 nan 8.300 nan 0.000 0.447 225 V N 2.646 122.555 119.914 -0.007 0.000 2.334 225 V HA 0.189 4.315 4.120 0.010 0.000 0.281 225 V C -0.591 175.476 176.094 -0.045 0.000 1.016 225 V CA -0.738 61.515 62.300 -0.079 0.000 0.832 225 V CB 1.343 33.094 31.823 -0.119 0.000 0.999 225 V HN 0.584 nan 8.190 nan 0.000 0.439 226 D N 3.845 124.222 120.400 -0.039 0.000 2.339 226 D HA 0.211 4.857 4.640 0.010 0.000 0.241 226 D C -0.015 176.255 176.300 -0.050 0.000 1.183 226 D CA -0.085 53.895 54.000 -0.033 0.000 0.859 226 D CB 1.105 41.896 40.800 -0.015 0.000 1.067 226 D HN 0.585 nan 8.370 nan 0.000 0.484 227 C N 2.945 122.202 119.300 -0.071 0.000 2.660 227 C HA 0.127 4.593 4.460 0.010 0.000 0.265 227 C C 1.681 176.622 174.990 -0.082 0.000 1.573 227 C CA -0.390 58.579 59.018 -0.083 0.000 1.751 227 C CB -1.307 26.361 27.740 -0.119 0.000 3.033 227 C HN 0.654 nan 8.230 nan 0.000 0.511 228 S N 0.047 115.708 115.700 -0.064 0.000 2.631 228 S HA 0.433 4.909 4.470 0.010 0.000 0.217 228 S C 1.098 175.659 174.600 -0.065 0.000 0.958 228 S CA 0.676 58.842 58.200 -0.056 0.000 0.920 228 S CB -0.166 63.010 63.200 -0.039 0.000 0.776 228 S HN 1.171 nan 8.310 nan 0.000 0.517 229 G N 1.314 110.052 108.800 -0.104 0.000 2.642 229 G HA2 -0.264 3.702 3.960 0.010 0.000 0.231 229 G HA3 -0.264 3.702 3.960 0.010 0.000 0.231 229 G C 0.098 174.913 174.900 -0.141 0.000 1.338 229 G CA -0.125 44.851 45.100 -0.207 0.000 0.883 229 G HN 0.266 nan 8.290 nan 0.000 0.570 230 F N 1.257 121.167 119.950 -0.066 0.000 2.184 230 F HA -0.123 4.410 4.527 0.010 0.000 0.301 230 F C 3.022 178.742 175.800 -0.134 0.000 1.076 230 F CA 2.150 60.072 58.000 -0.131 0.000 1.295 230 F CB -0.380 38.535 39.000 -0.143 0.000 1.026 230 F HN 0.336 nan 8.300 nan 0.000 0.494 231 R N 0.220 120.768 120.500 0.080 0.000 2.127 231 R HA -0.087 4.259 4.340 0.010 0.000 0.238 231 R C 1.694 177.993 176.300 -0.003 0.000 1.134 231 R CA 0.958 57.071 56.100 0.021 0.000 0.975 231 R CB -1.600 28.707 30.300 0.013 0.000 0.865 231 R HN 0.374 nan 8.270 nan 0.000 0.447 232 G N 2.049 110.847 108.800 -0.003 0.000 2.386 232 G HA2 -0.258 3.708 3.960 0.010 0.000 0.295 232 G HA3 -0.258 3.708 3.960 0.010 0.000 0.295 232 G C 0.802 175.696 174.900 -0.009 0.000 0.979 232 G CA 0.368 45.467 45.100 -0.001 0.000 1.193 232 G HN 0.300 nan 8.290 nan 0.000 0.508 233 L N -1.330 119.882 121.223 -0.018 0.000 2.079 233 L HA -0.136 4.210 4.340 0.010 0.000 0.210 233 L C 2.951 179.795 176.870 -0.043 0.000 1.081 233 L CA 1.646 56.469 54.840 -0.028 0.000 0.752 233 L CB -0.361 41.681 42.059 -0.029 0.000 0.896 233 L HN 0.523 nan 8.230 nan 0.000 0.433 234 L N -1.574 119.624 121.223 -0.041 0.000 2.187 234 L HA -0.084 4.262 4.340 0.010 0.000 0.197 234 L C 2.423 179.271 176.870 -0.036 0.000 1.090 234 L CA 0.377 55.181 54.840 -0.061 0.000 0.781 234 L CB -0.436 41.587 42.059 -0.060 0.000 0.956 234 L HN 0.069 nan 8.230 nan 0.000 0.463 235 I N 0.871 121.440 120.570 -0.003 0.000 2.179 235 I HA -0.282 3.894 4.170 0.010 0.000 0.242 235 I C 1.872 178.009 176.117 0.034 0.000 1.088 235 I CA 1.998 63.315 61.300 0.028 0.000 1.357 235 I CB -0.298 37.737 38.000 0.058 0.000 1.051 235 I HN 0.274 nan 8.210 nan 0.000 0.409 236 N N -0.691 118.028 118.700 0.032 0.000 2.349 236 N HA -0.063 4.683 4.740 0.010 0.000 0.180 236 N C 1.775 177.293 175.510 0.013 0.000 1.024 236 N CA 0.636 53.709 53.050 0.039 0.000 0.869 236 N CB -0.139 38.375 38.487 0.045 0.000 1.022 236 N HN 0.216 nan 8.380 nan 0.000 0.433 237 K N 0.787 121.184 120.400 -0.006 0.000 2.044 237 K HA 0.135 4.461 4.320 0.010 0.000 0.204 237 K C 1.945 178.523 176.600 -0.036 0.000 1.045 237 K CA 0.917 57.193 56.287 -0.018 0.000 0.951 237 K CB -0.015 32.471 32.500 -0.023 0.000 0.738 237 K HN 0.116 nan 8.250 nan 0.000 0.443 238 A N 0.829 123.614 122.820 -0.058 0.000 1.855 238 A HA -0.041 4.285 4.320 0.010 0.000 0.213 238 A C 1.972 179.515 177.584 -0.069 0.000 1.195 238 A CA 1.018 53.001 52.037 -0.090 0.000 0.610 238 A CB -0.200 18.716 19.000 -0.139 0.000 0.837 238 A HN 0.243 nan 8.150 nan 0.000 0.444 239 M N -1.286 118.284 119.600 -0.049 0.000 2.558 239 M HA 0.089 4.575 4.480 0.010 0.000 0.255 239 M C 0.149 176.445 176.300 -0.007 0.000 1.113 239 M CA 0.749 56.032 55.300 -0.028 0.000 1.097 239 M CB -1.019 31.575 32.600 -0.010 0.000 1.426 239 M HN 0.561 nan 8.290 nan 0.000 0.488 240 E N 0.606 120.805 120.200 -0.002 0.000 2.791 240 E HA -0.203 4.153 4.350 0.010 0.000 0.271 240 E C -0.076 176.541 176.600 0.028 0.000 1.044 240 E CA 0.465 56.872 56.400 0.012 0.000 0.814 240 E CB -1.191 28.512 29.700 0.004 0.000 1.400 240 E HN 0.359 nan 8.360 nan 0.000 0.423 241 E N 1.242 121.466 120.200 0.040 0.000 2.324 241 E HA 0.135 4.491 4.350 0.010 0.000 0.271 241 E C -2.485 174.162 176.600 0.078 0.000 1.028 241 E CA -2.122 54.311 56.400 0.054 0.000 0.890 241 E CB 0.647 30.386 29.700 0.066 0.000 1.004 241 E HN -0.092 nan 8.360 nan 0.000 0.431 242 P HA 0.024 nan 4.420 nan 0.000 0.268 242 P C -0.928 176.454 177.300 0.137 0.000 1.204 242 P CA -0.009 63.146 63.100 0.092 0.000 0.768 242 P CB 0.206 31.937 31.700 0.052 0.000 0.842 243 F N 3.996 123.956 119.950 0.016 0.000 2.412 243 F HA 0.289 4.822 4.527 0.010 0.000 0.348 243 F C -0.218 175.594 175.800 0.020 0.000 1.102 243 F CA -0.401 57.608 58.000 0.015 0.000 1.196 243 F CB 0.435 39.450 39.000 0.025 0.000 1.144 243 F HN 0.091 nan 8.300 nan 0.000 0.541 244 L N 5.718 126.504 121.223 -0.728 0.000 2.270 244 L HA 0.202 4.548 4.340 0.010 0.000 0.286 244 L C -0.447 176.075 176.870 -0.580 0.000 1.059 244 L CA -0.724 53.831 54.840 -0.475 0.000 0.839 244 L CB 0.598 42.478 42.059 -0.297 0.000 1.221 244 L HN 0.619 nan 8.230 nan 0.000 0.431 245 D N 3.565 123.878 120.400 -0.144 0.000 2.424 245 D HA 0.112 4.758 4.640 0.010 0.000 0.244 245 D C 0.329 176.673 176.300 0.073 0.000 1.134 245 D CA 0.269 54.322 54.000 0.089 0.000 0.881 245 D CB 0.890 41.800 40.800 0.183 0.000 1.191 245 D HN 0.433 nan 8.370 nan 0.000 0.445 246 M N 2.435 122.133 119.600 0.164 0.000 2.785 246 M HA 0.062 4.548 4.480 0.010 0.000 0.374 246 M C 1.073 177.495 176.300 0.204 0.000 1.221 246 M CA -0.292 55.135 55.300 0.211 0.000 0.912 246 M CB 0.700 33.484 32.600 0.306 0.000 1.355 246 M HN 0.488 nan 8.290 nan 0.000 0.513 247 S N -0.789 115.003 115.700 0.153 0.000 2.603 247 S HA -0.109 4.367 4.470 0.010 0.000 0.229 247 S C 1.216 175.848 174.600 0.052 0.000 0.972 247 S CA 0.957 59.230 58.200 0.122 0.000 0.935 247 S CB -0.417 62.852 63.200 0.115 0.000 0.769 247 S HN 0.601 nan 8.310 nan 0.000 0.536 248 D N 0.479 120.871 120.400 -0.014 0.000 2.363 248 D HA -0.128 4.518 4.640 0.010 0.000 0.220 248 D C 1.256 177.375 176.300 -0.303 0.000 0.994 248 D CA 0.818 54.726 54.000 -0.153 0.000 0.890 248 D CB -0.550 40.118 40.800 -0.220 0.000 0.906 248 D HN 0.577 nan 8.370 nan 0.000 0.530 249 H N -0.545 118.561 119.070 0.060 0.000 2.855 249 H HA 0.376 4.938 4.556 0.010 0.000 0.259 249 H C 0.181 175.544 175.328 0.058 0.000 0.972 249 H CA 0.003 56.080 56.048 0.049 0.000 1.213 249 H CB 1.604 31.396 29.762 0.049 0.000 1.451 249 H HN 0.063 nan 8.280 nan 0.000 0.484 250 L N 1.678 123.003 121.223 0.170 0.000 2.446 250 L HA 0.234 4.580 4.340 0.010 0.000 0.268 250 L C 0.853 177.779 176.870 0.094 0.000 0.975 250 L CA -0.182 54.733 54.840 0.126 0.000 0.848 250 L CB 2.860 45.038 42.059 0.199 0.000 1.225 250 L HN -0.062 nan 8.230 nan 0.000 0.410 251 L N 0.925 122.158 121.223 0.017 0.000 2.240 251 L HA 0.044 4.390 4.340 0.010 0.000 0.211 251 L C 0.648 177.602 176.870 0.141 0.000 1.106 251 L CA 0.533 55.430 54.840 0.094 0.000 0.793 251 L CB -0.225 41.882 42.059 0.080 0.000 0.927 251 L HN 0.648 nan 8.230 nan 0.000 0.446 252 N N 1.561 120.333 118.700 0.120 0.000 2.497 252 N HA 0.035 4.781 4.740 0.010 0.000 0.268 252 N C 0.002 175.641 175.510 0.216 0.000 1.171 252 N CA 0.272 53.410 53.050 0.146 0.000 0.948 252 N CB 1.111 39.733 38.487 0.225 0.000 1.069 252 N HN 0.217 nan 8.380 nan 0.000 0.460 253 D N -1.961 118.497 120.400 0.096 0.000 2.497 253 D HA 0.131 4.777 4.640 0.010 0.000 0.256 253 D C -0.530 175.669 176.300 -0.169 0.000 1.273 253 D CA -0.103 53.969 54.000 0.120 0.000 0.812 253 D CB 0.067 40.872 40.800 0.009 0.000 1.190 253 D HN 0.156 nan 8.370 nan 0.000 0.524 254 S N -0.665 114.747 115.700 -0.481 0.000 2.638 254 S HA 0.925 5.401 4.470 0.010 0.000 0.274 254 S C -1.295 172.758 174.600 -0.912 0.000 1.157 254 S CA -0.514 57.072 58.200 -1.024 0.000 0.826 254 S CB 2.099 64.416 63.200 -1.470 0.000 1.139 254 S HN 0.494 nan 8.310 nan 0.000 0.474 255 A N 0.733 123.102 122.820 -0.751 0.000 2.594 255 A HA 0.781 5.107 4.320 0.010 0.000 0.295 255 A C -1.768 175.697 177.584 -0.199 0.000 1.071 255 A CA -0.621 51.226 52.037 -0.316 0.000 0.685 255 A CB 1.265 20.202 19.000 -0.105 0.000 1.285 255 A HN 0.652 nan 8.150 nan 0.000 0.405 256 V N 0.822 120.565 119.914 -0.285 0.000 2.444 256 V HA 0.801 4.927 4.120 0.010 0.000 0.294 256 V C 0.284 175.922 176.094 -0.760 0.000 1.022 256 V CA 0.065 62.110 62.300 -0.425 0.000 0.850 256 V CB 1.097 32.631 31.823 -0.481 0.000 0.992 256 V HN 1.611 nan 8.190 nan 0.000 0.426 257 A N 3.363 125.949 122.820 -0.391 0.000 2.498 257 A HA 0.981 5.307 4.320 0.010 0.000 0.298 257 A C -0.485 177.125 177.584 0.043 0.000 1.075 257 A CA -0.514 51.373 52.037 -0.249 0.000 0.714 257 A CB 2.504 21.514 19.000 0.018 0.000 1.299 257 A HN 0.739 nan 8.150 nan 0.000 0.407 258 T N -0.557 114.103 114.554 0.176 0.000 2.665 258 T HA 0.527 4.883 4.350 0.010 0.000 0.303 258 T C -1.781 172.963 174.700 0.073 0.000 1.334 258 T CA -0.338 61.855 62.100 0.156 0.000 1.011 258 T CB 1.565 70.546 68.868 0.188 0.000 1.573 258 T HN 0.752 nan 8.240 nan 0.000 0.492 259 Q N 1.601 121.390 119.800 -0.018 0.000 2.330 259 Q HA 0.670 5.016 4.340 0.010 0.000 0.269 259 Q C -1.711 174.119 176.000 -0.284 0.000 1.022 259 Q CA -0.658 55.070 55.803 -0.126 0.000 0.796 259 Q CB 1.842 30.561 28.738 -0.032 0.000 1.271 259 Q HN 0.513 nan 8.270 nan 0.000 0.450 260 V N 5.392 124.941 119.914 -0.608 0.000 2.417 260 V HA 0.417 4.543 4.120 0.010 0.000 0.291 260 V C -2.268 173.496 176.094 -0.550 0.000 1.024 260 V CA -1.993 59.871 62.300 -0.726 0.000 0.861 260 V CB 1.369 32.392 31.823 -1.332 0.000 0.985 260 V HN 0.767 nan 8.190 nan 0.000 0.436 261 P HA 0.127 nan 4.420 nan 0.000 0.267 261 P C -0.677 176.617 177.300 -0.009 0.000 1.200 261 P CA 0.277 63.315 63.100 -0.104 0.000 0.772 261 P CB 0.268 31.929 31.700 -0.066 0.000 0.855 262 H N 1.690 120.741 119.070 -0.031 0.000 2.877 262 H HA 0.174 4.736 4.556 0.010 0.000 0.347 262 H C -1.243 174.097 175.328 0.020 0.000 1.042 262 H CA -0.549 55.529 56.048 0.050 0.000 1.276 262 H CB 1.523 31.379 29.762 0.155 0.000 1.681 262 H HN 0.273 nan 8.280 nan 0.000 0.521 263 D N 3.637 123.796 120.400 -0.402 0.000 2.393 263 D HA 0.056 4.702 4.640 0.010 0.000 0.232 263 D C 0.314 176.454 176.300 -0.266 0.000 1.192 263 D CA -0.045 53.810 54.000 -0.243 0.000 0.882 263 D CB 0.650 41.331 40.800 -0.197 0.000 1.038 263 D HN 0.485 nan 8.370 nan 0.000 0.499 264 D N 2.352 122.711 120.400 -0.068 0.000 2.183 264 D HA -0.120 4.525 4.640 0.010 0.000 0.203 264 D C 1.071 177.073 176.300 -0.497 0.000 0.969 264 D CA 0.646 54.559 54.000 -0.145 0.000 0.842 264 D CB 0.257 41.017 40.800 -0.068 0.000 0.957 264 D HN 0.490 nan 8.370 nan 0.000 0.484 265 D N 0.272 120.496 120.400 -0.293 0.000 2.178 265 D HA -0.072 4.573 4.640 0.010 0.000 0.201 265 D C 1.820 178.034 176.300 -0.143 0.000 0.980 265 D CA 0.979 54.865 54.000 -0.190 0.000 0.842 265 D CB 0.068 40.863 40.800 -0.009 0.000 0.948 265 D HN 0.182 nan 8.370 nan 0.000 0.472 266 A N 0.057 122.795 122.820 -0.137 0.000 1.997 266 A HA 0.046 4.372 4.320 0.010 0.000 0.212 266 A C 1.652 179.188 177.584 -0.079 0.000 1.178 266 A CA 0.587 52.571 52.037 -0.089 0.000 0.698 266 A CB -0.049 18.899 19.000 -0.086 0.000 0.842 266 A HN 0.169 nan 8.150 nan 0.000 0.458 267 N N -1.776 116.863 118.700 -0.103 0.000 2.193 267 N HA 0.400 5.146 4.740 0.010 0.000 0.210 267 N C 0.649 176.170 175.510 0.019 0.000 1.215 267 N CA 0.408 53.442 53.050 -0.026 0.000 0.901 267 N CB 1.119 39.593 38.487 -0.021 0.000 1.060 267 N HN 0.596 nan 8.380 nan 0.000 0.508 268 G N 0.542 109.306 108.800 -0.059 0.000 2.760 268 G HA2 -0.196 3.770 3.960 0.010 0.000 0.246 268 G HA3 -0.196 3.770 3.960 0.010 0.000 0.246 268 G C -0.873 174.052 174.900 0.041 0.000 1.359 268 G CA -0.611 44.469 45.100 -0.034 0.000 0.861 268 G HN 0.055 nan 8.290 nan 0.000 0.541 269 V N 0.305 120.247 119.914 0.047 0.000 2.487 269 V HA 0.504 4.630 4.120 0.010 0.000 0.298 269 V C 0.278 176.315 176.094 -0.094 0.000 1.028 269 V CA -0.731 61.557 62.300 -0.020 0.000 0.860 269 V CB 1.650 33.505 31.823 0.052 0.000 0.991 269 V HN 0.761 nan 8.190 nan 0.000 0.427 270 E N 6.358 126.391 120.200 -0.280 0.000 2.257 270 E HA 0.186 4.542 4.350 0.010 0.000 0.278 270 E C -2.077 174.223 176.600 -0.500 0.000 1.049 270 E CA -1.541 54.502 56.400 -0.595 0.000 0.876 270 E CB 0.985 29.978 29.700 -1.179 0.000 1.035 270 E HN 0.478 nan 8.360 nan 0.000 0.419 271 P HA 0.059 nan 4.420 nan 0.000 0.235 271 P C -1.255 176.125 177.300 0.134 0.000 1.725 271 P CA 0.064 63.152 63.100 -0.020 0.000 0.894 271 P CB -0.683 31.040 31.700 0.038 0.000 1.704 272 F N -4.181 115.879 119.950 0.183 0.000 2.703 272 F HA 0.530 5.063 4.527 0.009 0.000 0.308 272 F C -0.681 175.265 175.800 0.242 0.000 1.126 272 F CA -1.257 56.849 58.000 0.176 0.000 0.959 272 F CB 0.265 39.322 39.000 0.095 0.000 1.297 272 F HN -0.462 nan 8.300 nan 0.000 0.441 273 T N 1.501 116.321 114.554 0.443 0.000 2.889 273 T HA 0.518 4.874 4.350 0.010 0.000 0.291 273 T C -0.321 174.540 174.700 0.269 0.000 0.995 273 T CA -0.415 61.834 62.100 0.248 0.000 1.092 273 T CB 1.120 70.141 68.868 0.256 0.000 0.954 273 T HN 0.651 nan 8.240 nan 0.000 0.506 274 S N 1.826 117.676 115.700 0.250 0.000 2.475 274 S HA 0.646 5.122 4.470 0.010 0.000 0.298 274 S C -0.153 174.598 174.600 0.253 0.000 1.119 274 S CA -0.851 57.478 58.200 0.214 0.000 1.085 274 S CB 1.371 64.732 63.200 0.269 0.000 1.028 274 S HN 0.850 nan 8.310 nan 0.000 0.489 275 A N 3.678 126.549 122.820 0.086 0.000 2.316 275 A HA 0.620 4.946 4.320 0.010 0.000 0.324 275 A C -0.393 177.567 177.584 0.627 0.000 1.375 275 A CA -0.586 51.676 52.037 0.375 0.000 0.882 275 A CB -0.210 18.662 19.000 -0.214 0.000 1.152 275 A HN 0.829 nan 8.150 nan 0.000 0.512 276 I N 2.859 123.809 120.570 0.633 0.000 2.307 276 I HA 0.372 4.548 4.170 0.010 0.000 0.289 276 I C 0.950 177.240 176.117 0.289 0.000 1.021 276 I CA -0.300 61.230 61.300 0.384 0.000 1.224 276 I CB 1.545 39.658 38.000 0.188 0.000 1.376 276 I HN 0.674 nan 8.210 nan 0.000 0.470 277 A N 8.480 131.290 122.820 -0.017 0.000 2.546 277 A HA 0.438 4.764 4.320 0.010 0.000 0.243 277 A C 0.207 177.777 177.584 -0.024 0.000 1.063 277 A CA 0.226 52.076 52.037 -0.311 0.000 0.757 277 A CB 0.214 18.662 19.000 -0.919 0.000 0.991 277 A HN 0.672 nan 8.150 nan 0.000 0.503 278 M N 1.331 121.010 119.600 0.132 0.000 2.861 278 M HA 0.342 4.828 4.480 0.010 0.000 0.294 278 M C 0.982 177.431 176.300 0.249 0.000 1.185 278 M CA -0.630 54.675 55.300 0.008 0.000 0.809 278 M CB 0.918 33.323 32.600 -0.325 0.000 1.722 278 M HN 0.770 nan 8.290 nan 0.000 0.496 279 K N 0.196 120.684 120.400 0.147 0.000 2.097 279 K HA -0.019 4.307 4.320 0.010 0.000 0.206 279 K C 0.625 177.304 176.600 0.132 0.000 1.049 279 K CA 1.256 57.691 56.287 0.246 0.000 0.933 279 K CB 0.091 32.675 32.500 0.140 0.000 0.717 279 K HN 0.444 nan 8.250 nan 0.000 0.442 280 S N -0.374 115.275 115.700 -0.085 0.000 2.835 280 S HA 0.369 4.845 4.470 0.010 0.000 0.248 280 S C -0.149 173.739 174.600 -1.186 0.000 1.070 280 S CA -0.178 57.643 58.200 -0.631 0.000 1.090 280 S CB 1.510 64.621 63.200 -0.150 0.000 0.978 280 S HN 0.534 nan 8.310 nan 0.000 0.510 281 G N 1.508 109.707 108.800 -1.001 0.000 2.403 281 G HA2 0.284 4.250 3.960 0.010 0.000 0.223 281 G HA3 0.284 4.250 3.960 0.010 0.000 0.223 281 G C -2.122 172.992 174.900 0.357 0.000 1.287 281 G CA -0.262 44.634 45.100 -0.340 0.000 0.982 281 G HN 0.440 nan 8.290 nan 0.000 0.471 282 W N -0.770 120.756 121.300 0.376 0.000 3.074 282 W HA 0.764 5.430 4.660 0.009 0.000 0.332 282 W C -1.600 175.159 176.519 0.400 0.000 1.253 282 W CA -0.763 56.783 57.345 0.335 0.000 1.180 282 W CB 0.878 30.650 29.460 0.520 0.000 1.445 282 W HN 0.793 nan 8.180 nan 0.000 0.573 283 T N 2.428 117.212 114.554 0.383 0.000 2.841 283 T HA 0.346 4.702 4.350 0.010 0.000 0.285 283 T C -0.866 174.097 174.700 0.438 0.000 0.991 283 T CA -0.244 61.936 62.100 0.134 0.000 0.966 283 T CB 0.999 69.933 68.868 0.111 0.000 0.962 283 T HN 0.410 nan 8.240 nan 0.000 0.438 284 W N 3.167 124.601 121.300 0.222 0.000 2.251 284 W HA 0.710 5.377 4.660 0.010 0.000 0.329 284 W C -0.375 176.379 176.519 0.391 0.000 1.234 284 W CA -1.045 56.558 57.345 0.430 0.000 1.228 284 W CB 0.462 30.142 29.460 0.368 0.000 1.135 284 W HN 0.467 nan 8.180 nan 0.000 0.576 285 K N 4.495 125.252 120.400 0.596 0.000 2.463 285 K HA 0.497 4.823 4.320 0.010 0.000 0.255 285 K C -1.591 175.137 176.600 0.214 0.000 0.942 285 K CA -0.713 55.794 56.287 0.366 0.000 0.814 285 K CB 0.913 33.511 32.500 0.163 0.000 1.122 285 K HN 0.772 nan 8.250 nan 0.000 0.425 286 I N 6.626 127.301 120.570 0.175 0.000 2.495 286 I HA 0.267 4.443 4.170 0.010 0.000 0.277 286 I C -2.371 173.625 176.117 -0.201 0.000 1.045 286 I CA -2.444 58.738 61.300 -0.197 0.000 1.135 286 I CB 1.783 39.732 38.000 -0.086 0.000 1.241 286 I HN 0.355 nan 8.210 nan 0.000 0.469 287 P HA 0.290 nan 4.420 nan 0.000 0.276 287 P C -0.495 176.781 177.300 -0.040 0.000 1.235 287 P CA 0.126 63.119 63.100 -0.178 0.000 0.772 287 P CB 0.805 32.348 31.700 -0.261 0.000 0.871 288 M N 1.762 121.377 119.600 0.026 0.000 2.561 288 M HA 0.417 4.903 4.480 0.010 0.000 0.266 288 M C -0.176 176.164 176.300 0.068 0.000 0.983 288 M CA -1.015 54.334 55.300 0.082 0.000 1.080 288 M CB 0.552 33.216 32.600 0.106 0.000 1.554 288 M HN -0.009 nan 8.290 nan 0.000 0.604 289 L N 1.510 122.779 121.223 0.076 0.000 2.261 289 L HA 0.375 4.721 4.340 0.010 0.000 0.289 289 L C 0.826 177.747 176.870 0.085 0.000 1.059 289 L CA -0.208 54.678 54.840 0.077 0.000 0.816 289 L CB 0.293 42.386 42.059 0.058 0.000 1.191 289 L HN 1.061 nan 8.230 nan 0.000 0.431 290 G N 3.314 112.183 108.800 0.114 0.000 2.168 290 G HA2 -0.288 3.678 3.960 0.010 0.000 0.257 290 G HA3 -0.288 3.678 3.960 0.010 0.000 0.257 290 G C 0.208 175.181 174.900 0.122 0.000 0.997 290 G CA 0.776 45.951 45.100 0.125 0.000 0.708 290 G HN 0.791 nan 8.290 nan 0.000 0.520 291 R N -1.654 118.913 120.500 0.111 0.000 2.690 291 R HA 0.682 5.028 4.340 0.010 0.000 0.269 291 R C -0.750 175.588 176.300 0.064 0.000 1.037 291 R CA -0.972 55.155 56.100 0.046 0.000 0.877 291 R CB 0.761 31.059 30.300 -0.003 0.000 1.255 291 R HN 0.805 nan 8.270 nan 0.000 0.467 292 F N -0.927 118.960 119.950 -0.106 0.000 2.551 292 F HA 0.829 5.361 4.527 0.009 0.000 0.316 292 F C -0.172 175.571 175.800 -0.095 0.000 1.089 292 F CA -1.141 56.765 58.000 -0.157 0.000 0.915 292 F CB 1.976 40.806 39.000 -0.284 0.000 1.186 292 F HN 0.686 nan 8.300 nan 0.000 0.456 293 G N 0.766 109.683 108.800 0.196 0.000 2.356 293 G HA2 0.501 4.467 3.960 0.010 0.000 0.298 293 G HA3 0.501 4.467 3.960 0.010 0.000 0.298 293 G C -1.211 173.954 174.900 0.441 0.000 1.145 293 G CA -0.482 44.779 45.100 0.269 0.000 0.850 293 G HN 0.950 nan 8.290 nan 0.000 0.487 294 T N -0.375 114.339 114.554 0.266 0.000 2.923 294 T HA 0.743 5.099 4.350 0.010 0.000 0.311 294 T C -0.408 174.005 174.700 -0.478 0.000 1.183 294 T CA 0.004 62.085 62.100 -0.031 0.000 1.020 294 T CB 1.712 70.645 68.868 0.107 0.000 1.165 294 T HN 1.295 nan 8.240 nan 0.000 0.482 295 G N 2.428 110.362 108.800 -1.445 0.000 2.734 295 G HA2 0.463 4.429 3.960 0.010 0.000 0.293 295 G HA3 0.463 4.429 3.960 0.010 0.000 0.293 295 G C -1.970 172.318 174.900 -1.019 0.000 1.422 295 G CA -0.527 43.525 45.100 -1.747 0.000 1.177 295 G HN 0.622 nan 8.290 nan 0.000 0.565 296 Y N 3.927 123.697 120.300 -0.883 0.000 2.539 296 Y HA 0.458 5.014 4.550 0.010 0.000 0.352 296 Y C -0.030 175.673 175.900 -0.328 0.000 1.004 296 Y CA -1.154 56.668 58.100 -0.462 0.000 1.278 296 Y CB 0.797 39.053 38.460 -0.338 0.000 1.136 296 Y HN 0.267 nan 8.280 nan 0.000 0.528 297 V N 9.767 129.605 119.914 -0.127 0.000 2.432 297 V HA 0.200 4.326 4.120 0.010 0.000 0.271 297 V C -0.482 175.550 176.094 -0.102 0.000 1.046 297 V CA -0.164 62.064 62.300 -0.120 0.000 0.945 297 V CB -0.498 31.190 31.823 -0.224 0.000 0.992 297 V HN 0.673 nan 8.190 nan 0.000 0.471 298 Y N 2.129 122.202 120.300 -0.378 0.000 2.644 298 Y HA 0.744 5.300 4.550 0.010 0.000 0.338 298 Y C -0.317 175.421 175.900 -0.269 0.000 1.119 298 Y CA -1.241 56.543 58.100 -0.527 0.000 1.060 298 Y CB 1.810 39.642 38.460 -1.047 0.000 1.294 298 Y HN 0.340 nan 8.280 nan 0.000 0.472 299 S N 1.005 116.631 115.700 -0.124 0.000 2.422 299 S HA 0.241 4.717 4.470 0.010 0.000 0.298 299 S C 0.861 175.520 174.600 0.099 0.000 1.118 299 S CA -0.055 58.159 58.200 0.022 0.000 1.083 299 S CB 0.370 63.764 63.200 0.322 0.000 0.971 299 S HN 0.959 nan 8.310 nan 0.000 0.478 300 S N 5.203 120.857 115.700 -0.078 0.000 2.442 300 S HA -0.075 4.401 4.470 0.010 0.000 0.236 300 S C 1.504 176.101 174.600 -0.005 0.000 1.007 300 S CA 0.549 58.740 58.200 -0.015 0.000 0.965 300 S CB -0.261 62.874 63.200 -0.109 0.000 0.773 300 S HN 0.805 nan 8.310 nan 0.000 0.504 301 R N -0.695 119.790 120.500 -0.025 0.000 2.299 301 R HA 0.241 4.587 4.340 0.010 0.000 0.197 301 R C 0.531 176.512 176.300 -0.533 0.000 0.971 301 R CA 0.734 56.679 56.100 -0.258 0.000 1.030 301 R CB -0.120 29.991 30.300 -0.316 0.000 0.932 301 R HN 0.520 nan 8.270 nan 0.000 0.477 302 F N -1.108 118.873 119.950 0.052 0.000 2.752 302 F HA 0.393 4.926 4.527 0.010 0.000 0.310 302 F C 0.428 176.246 175.800 0.030 0.000 1.097 302 F CA -0.387 57.649 58.000 0.060 0.000 1.238 302 F CB 0.973 40.044 39.000 0.119 0.000 1.061 302 F HN -0.184 nan 8.300 nan 0.000 0.591 303 A N 0.095 123.002 122.820 0.145 0.000 2.520 303 A HA 0.582 4.908 4.320 0.010 0.000 0.298 303 A C -0.106 177.492 177.584 0.023 0.000 1.051 303 A CA -0.464 51.597 52.037 0.039 0.000 0.690 303 A CB 0.401 19.361 19.000 -0.067 0.000 1.281 303 A HN 0.048 nan 8.150 nan 0.000 0.402 304 T N -1.182 113.351 114.554 -0.035 0.000 2.828 304 T HA 0.316 4.672 4.350 0.010 0.000 0.290 304 T C 0.985 175.622 174.700 -0.105 0.000 1.019 304 T CA 0.497 62.580 62.100 -0.028 0.000 1.031 304 T CB 1.002 69.848 68.868 -0.036 0.000 1.001 304 T HN 0.770 nan 8.240 nan 0.000 0.531 305 E N 0.385 120.562 120.200 -0.039 0.000 2.097 305 E HA -0.254 4.102 4.350 0.010 0.000 0.196 305 E C 1.306 177.815 176.600 -0.152 0.000 1.000 305 E CA 1.832 58.182 56.400 -0.084 0.000 0.804 305 E CB -0.178 29.519 29.700 -0.005 0.000 0.740 305 E HN 0.712 nan 8.360 nan 0.000 0.454 306 D N 0.406 120.751 120.400 -0.092 0.000 2.104 306 D HA -0.170 4.476 4.640 0.010 0.000 0.194 306 D C 1.821 178.069 176.300 -0.086 0.000 0.994 306 D CA 1.217 55.175 54.000 -0.070 0.000 0.830 306 D CB -0.234 40.541 40.800 -0.043 0.000 0.959 306 D HN 0.352 nan 8.370 nan 0.000 0.452 307 E N 0.430 120.565 120.200 -0.109 0.000 2.077 307 E HA -0.112 4.244 4.350 0.010 0.000 0.193 307 E C 2.118 178.645 176.600 -0.123 0.000 0.989 307 E CA 1.007 57.351 56.400 -0.094 0.000 0.800 307 E CB -0.064 29.587 29.700 -0.080 0.000 0.746 307 E HN 0.200 nan 8.360 nan 0.000 0.452 308 A N 0.893 123.519 122.820 -0.323 0.000 1.877 308 A HA -0.163 4.163 4.320 0.010 0.000 0.216 308 A C 2.508 180.026 177.584 -0.109 0.000 1.186 308 A CA 1.275 53.041 52.037 -0.453 0.000 0.620 308 A CB -0.752 17.309 19.000 -1.564 0.000 0.822 308 A HN 0.122 nan 8.150 nan 0.000 0.443 309 V N -0.017 119.826 119.914 -0.120 0.000 2.287 309 V HA -0.288 3.838 4.120 0.010 0.000 0.248 309 V C 2.691 178.846 176.094 0.102 0.000 1.053 309 V CA 2.342 64.660 62.300 0.030 0.000 1.027 309 V CB -0.793 31.031 31.823 0.001 0.000 0.646 309 V HN 0.522 nan 8.190 nan 0.000 0.447 310 R N 0.053 120.572 120.500 0.031 0.000 2.073 310 R HA -0.191 4.154 4.340 0.010 0.000 0.234 310 R C 2.404 178.714 176.300 0.016 0.000 1.134 310 R CA 1.816 57.926 56.100 0.018 0.000 0.952 310 R CB -0.374 29.920 30.300 -0.009 0.000 0.850 310 R HN 0.815 nan 8.270 nan 0.000 0.433 311 E N 0.000 120.220 120.200 0.033 0.000 2.208 311 E HA -0.188 4.168 4.350 0.010 0.000 0.193 311 E C 1.758 178.332 176.600 -0.043 0.000 0.988 311 E CA 0.799 57.190 56.400 -0.016 0.000 0.828 311 E CB -0.279 29.414 29.700 -0.013 0.000 0.763 311 E HN 0.283 nan 8.360 nan 0.000 0.478 312 F N 1.498 121.399 119.950 -0.081 0.000 2.163 312 F HA -0.071 4.462 4.527 0.010 0.000 0.297 312 F C 2.102 177.889 175.800 -0.022 0.000 1.094 312 F CA 1.139 59.096 58.000 -0.073 0.000 1.290 312 F CB -0.430 38.624 39.000 0.090 0.000 1.017 312 F HN 0.111 nan 8.300 nan 0.000 0.483 313 C N 0.548 119.846 119.300 -0.004 0.000 2.457 313 C HA -0.099 4.366 4.460 0.010 0.000 0.278 313 C C 2.623 177.522 174.990 -0.152 0.000 1.309 313 C CA 1.064 60.026 59.018 -0.093 0.000 1.735 313 C CB -1.125 26.629 27.740 0.024 0.000 1.992 313 C HN 0.517 nan 8.230 nan 0.000 0.493 314 E N 0.130 120.228 120.200 -0.170 0.000 2.110 314 E HA -0.223 4.133 4.350 0.010 0.000 0.193 314 E C 2.153 178.496 176.600 -0.428 0.000 0.988 314 E CA 0.994 57.242 56.400 -0.254 0.000 0.804 314 E CB -0.218 29.367 29.700 -0.191 0.000 0.745 314 E HN 0.637 nan 8.360 nan 0.000 0.458 315 M N -0.701 118.632 119.600 -0.446 0.000 2.117 315 M HA -0.171 4.315 4.480 0.010 0.000 0.262 315 M C 0.892 176.834 176.300 -0.596 0.000 1.065 315 M CA 1.766 56.691 55.300 -0.625 0.000 1.114 315 M CB -0.002 32.091 32.600 -0.845 0.000 1.361 315 M HN 0.173 nan 8.290 nan 0.000 0.408 316 W N -0.797 120.356 121.300 -0.244 0.000 3.316 316 W HA 0.190 4.857 4.660 0.010 0.000 0.327 316 W C -0.117 176.458 176.519 0.093 0.000 1.232 316 W CA -0.380 56.939 57.345 -0.043 0.000 1.805 316 W CB -0.035 29.331 29.460 -0.157 0.000 1.090 316 W HN 0.329 nan 8.180 nan 0.000 0.654 317 H N -0.325 118.789 119.070 0.073 0.000 2.713 317 H HA -0.172 4.390 4.556 0.010 0.000 0.311 317 H C -0.065 175.287 175.328 0.040 0.000 1.175 317 H CA 0.655 56.729 56.048 0.043 0.000 1.143 317 H CB -2.094 27.698 29.762 0.050 0.000 1.434 317 H HN 0.200 nan 8.280 nan 0.000 0.418 318 L N 0.723 121.994 121.223 0.080 0.000 2.360 318 L HA 0.300 4.646 4.340 0.010 0.000 0.271 318 L C 0.941 177.828 176.870 0.029 0.000 1.057 318 L CA -0.569 54.298 54.840 0.044 0.000 0.803 318 L CB 1.146 43.211 42.059 0.009 0.000 1.207 318 L HN 0.032 nan 8.230 nan 0.000 0.445 319 D N 2.538 122.956 120.400 0.030 0.000 2.313 319 D HA 0.187 4.833 4.640 0.010 0.000 0.239 319 D C -1.782 174.536 176.300 0.031 0.000 1.142 319 D CA -2.063 51.953 54.000 0.026 0.000 0.847 319 D CB 1.720 42.535 40.800 0.024 0.000 1.082 319 D HN 0.156 nan 8.370 nan 0.000 0.480 320 P HA -0.086 nan 4.420 nan 0.000 0.220 320 P C 0.752 178.073 177.300 0.034 0.000 1.148 320 P CA 0.782 63.908 63.100 0.042 0.000 0.803 320 P CB 0.384 32.105 31.700 0.035 0.000 0.782 321 E N -0.614 119.601 120.200 0.025 0.000 2.347 321 E HA -0.058 4.298 4.350 0.010 0.000 0.196 321 E C 1.348 177.961 176.600 0.022 0.000 1.008 321 E CA 1.659 58.072 56.400 0.020 0.000 0.852 321 E CB -0.693 29.016 29.700 0.015 0.000 0.783 321 E HN 0.448 nan 8.360 nan 0.000 0.505 322 T N -3.302 111.267 114.554 0.025 0.000 3.009 322 T HA 0.066 4.421 4.350 0.010 0.000 0.267 322 T C 0.751 175.467 174.700 0.026 0.000 0.942 322 T CA -0.429 61.685 62.100 0.023 0.000 0.883 322 T CB 0.254 69.132 68.868 0.018 0.000 1.192 322 T HN -0.120 nan 8.240 nan 0.000 0.524 323 Q N 4.340 124.161 119.800 0.034 0.000 2.297 323 Q HA 0.328 4.674 4.340 0.010 0.000 0.267 323 Q C -2.533 173.498 176.000 0.051 0.000 1.006 323 Q CA -2.047 53.780 55.803 0.039 0.000 0.896 323 Q CB 0.611 29.378 28.738 0.049 0.000 1.186 323 Q HN 0.184 nan 8.270 nan 0.000 0.392 324 P HA 0.015 nan 4.420 nan 0.000 0.266 324 P C -1.172 176.173 177.300 0.075 0.000 1.215 324 P CA 0.496 63.628 63.100 0.053 0.000 0.763 324 P CB 0.345 32.072 31.700 0.046 0.000 0.806 325 L N 3.542 124.809 121.223 0.074 0.000 2.381 325 L HA 0.416 4.762 4.340 0.010 0.000 0.268 325 L C 0.475 177.376 176.870 0.053 0.000 0.997 325 L CA -0.694 54.195 54.840 0.081 0.000 0.818 325 L CB 2.117 44.225 42.059 0.082 0.000 1.310 325 L HN 0.229 nan 8.230 nan 0.000 0.416 326 N N 1.541 120.269 118.700 0.046 0.000 2.438 326 N HA 0.483 5.229 4.740 0.010 0.000 0.282 326 N C -1.072 174.426 175.510 -0.020 0.000 1.037 326 N CA -0.802 52.270 53.050 0.037 0.000 0.942 326 N CB 1.129 39.667 38.487 0.085 0.000 1.136 326 N HN 0.406 nan 8.380 nan 0.000 0.481 327 R N 2.685 123.168 120.500 -0.029 0.000 2.310 327 R HA 0.481 4.826 4.340 0.010 0.000 0.324 327 R C -0.644 175.594 176.300 -0.103 0.000 0.955 327 R CA -0.559 55.499 56.100 -0.071 0.000 0.830 327 R CB 1.135 31.404 30.300 -0.051 0.000 1.154 327 R HN 0.398 nan 8.270 nan 0.000 0.458 328 I N 2.315 122.763 120.570 -0.203 0.000 2.509 328 I HA 0.450 4.626 4.170 0.010 0.000 0.293 328 I C -0.200 175.604 176.117 -0.522 0.000 1.020 328 I CA -1.129 59.991 61.300 -0.299 0.000 1.088 328 I CB 1.720 39.515 38.000 -0.342 0.000 1.267 328 I HN 0.462 nan 8.210 nan 0.000 0.430 329 R N 5.061 125.298 120.500 -0.439 0.000 2.360 329 R HA 0.558 4.904 4.340 0.010 0.000 0.318 329 R C -1.600 174.365 176.300 -0.559 0.000 0.950 329 R CA -0.340 55.459 56.100 -0.502 0.000 0.837 329 R CB 0.481 30.591 30.300 -0.317 0.000 1.165 329 R HN 0.236 nan 8.270 nan 0.000 0.458 330 F N 2.267 121.923 119.950 -0.490 0.000 2.370 330 F HA 0.491 5.024 4.527 0.010 0.000 0.324 330 F C 1.019 176.325 175.800 -0.822 0.000 1.116 330 F CA -0.662 56.811 58.000 -0.878 0.000 1.123 330 F CB 0.778 39.525 39.000 -0.421 0.000 1.238 330 F HN 0.336 nan 8.300 nan 0.000 0.536 331 R N 1.362 121.285 120.500 -0.962 0.000 2.215 331 R HA 0.577 4.923 4.340 0.010 0.000 0.336 331 R C -1.774 174.625 176.300 0.164 0.000 0.996 331 R CA -0.355 55.491 56.100 -0.424 0.000 0.847 331 R CB 0.742 30.643 30.300 -0.665 0.000 1.127 331 R HN 0.506 nan 8.270 nan 0.000 0.465 332 V N 4.807 124.963 119.914 0.404 0.000 2.370 332 V HA 0.736 4.862 4.120 0.010 0.000 0.279 332 V C 0.764 177.225 176.094 0.612 0.000 1.029 332 V CA 0.336 62.995 62.300 0.599 0.000 0.870 332 V CB 0.997 33.100 31.823 0.468 0.000 0.984 332 V HN 1.108 nan 8.190 nan 0.000 0.451 333 G N 5.339 114.493 108.800 0.591 0.000 2.260 333 G HA2 0.236 4.202 3.960 0.010 0.000 0.250 333 G HA3 0.236 4.202 3.960 0.010 0.000 0.250 333 G C -0.976 173.614 174.900 -0.517 0.000 1.340 333 G CA -0.282 44.864 45.100 0.076 0.000 1.056 333 G HN 1.051 nan 8.290 nan 0.000 0.471 334 R N -0.868 119.019 120.500 -1.021 0.000 2.692 334 R HA 0.613 4.959 4.340 0.010 0.000 0.269 334 R C -0.904 175.005 176.300 -0.652 0.000 1.030 334 R CA -1.079 54.570 56.100 -0.752 0.000 0.882 334 R CB 0.521 30.273 30.300 -0.914 0.000 1.250 334 R HN 0.478 nan 8.270 nan 0.000 0.465 335 N N 1.107 119.704 118.700 -0.173 0.000 2.416 335 N HA -0.001 4.745 4.740 0.010 0.000 0.246 335 N C 0.575 176.023 175.510 -0.103 0.000 1.260 335 N CA -0.070 52.956 53.050 -0.040 0.000 0.897 335 N CB 0.779 39.322 38.487 0.092 0.000 1.110 335 N HN 0.638 nan 8.380 nan 0.000 0.439 336 R N 1.108 121.574 120.500 -0.056 0.000 2.103 336 R HA -0.085 4.261 4.340 0.010 0.000 0.242 336 R C -0.155 176.138 176.300 -0.012 0.000 1.142 336 R CA 1.486 57.562 56.100 -0.040 0.000 0.960 336 R CB 0.273 30.565 30.300 -0.014 0.000 0.858 336 R HN 0.507 nan 8.270 nan 0.000 0.439 337 R N -2.023 118.491 120.500 0.023 0.000 2.574 337 R HA 0.311 4.657 4.340 0.010 0.000 0.288 337 R C -0.058 176.312 176.300 0.116 0.000 1.004 337 R CA 0.006 56.142 56.100 0.060 0.000 0.895 337 R CB 1.864 32.198 30.300 0.056 0.000 1.191 337 R HN 0.089 nan 8.270 nan 0.000 0.444 338 A N 2.644 125.570 122.820 0.176 0.000 2.014 338 A HA -0.062 4.264 4.320 0.010 0.000 0.218 338 A C -0.045 177.757 177.584 0.364 0.000 1.163 338 A CA 0.969 53.161 52.037 0.258 0.000 0.652 338 A CB 0.078 19.269 19.000 0.318 0.000 0.808 338 A HN 0.648 nan 8.150 nan 0.000 0.449 339 W N -0.069 121.316 121.300 0.142 0.000 2.619 339 W HA 0.562 5.228 4.660 0.010 0.000 0.327 339 W C -1.999 174.523 176.519 0.006 0.000 1.027 339 W CA -1.614 55.744 57.345 0.021 0.000 1.233 339 W CB 1.248 30.648 29.460 -0.099 0.000 1.370 339 W HN -0.113 nan 8.180 nan 0.000 0.453 340 V N 7.513 127.673 119.914 0.409 0.000 2.588 340 V HA 0.747 4.873 4.120 0.010 0.000 0.304 340 V C 0.845 177.065 176.094 0.211 0.000 1.042 340 V CA 0.174 62.579 62.300 0.175 0.000 0.877 340 V CB 0.923 32.806 31.823 0.099 0.000 0.996 340 V HN 1.034 nan 8.190 nan 0.000 0.425 341 G N 4.979 113.826 108.800 0.079 0.000 2.629 341 G HA2 -0.345 3.621 3.960 0.010 0.000 0.313 341 G HA3 -0.345 3.621 3.960 0.010 0.000 0.313 341 G C 0.513 175.573 174.900 0.267 0.000 1.217 341 G CA 0.815 45.974 45.100 0.099 0.000 0.994 341 G HN 1.249 nan 8.290 nan 0.000 0.549 342 N N 0.343 119.183 118.700 0.233 0.000 2.279 342 N HA 0.306 5.052 4.740 0.010 0.000 0.226 342 N C 0.007 175.645 175.510 0.214 0.000 1.126 342 N CA 0.661 53.870 53.050 0.266 0.000 0.846 342 N CB -0.000 38.631 38.487 0.240 0.000 1.050 342 N HN 0.896 nan 8.380 nan 0.000 0.502 343 C N 1.100 120.512 119.300 0.187 0.000 2.316 343 C HA 0.652 5.118 4.460 0.010 0.000 0.324 343 C C -0.659 174.303 174.990 -0.047 0.000 1.226 343 C CA -0.463 58.597 59.018 0.071 0.000 1.450 343 C CB -0.264 27.512 27.740 0.061 0.000 2.123 343 C HN 0.177 nan 8.230 nan 0.000 0.454 344 V N 6.740 126.490 119.914 -0.274 0.000 2.398 344 V HA 0.549 4.674 4.120 0.010 0.000 0.286 344 V C 0.389 176.400 176.094 -0.138 0.000 1.026 344 V CA -0.213 61.853 62.300 -0.389 0.000 0.868 344 V CB 1.807 33.157 31.823 -0.789 0.000 0.982 344 V HN 0.968 nan 8.190 nan 0.000 0.443 345 S N 5.966 121.666 115.700 -0.001 0.000 2.499 345 S HA 0.766 5.242 4.470 0.010 0.000 0.279 345 S C -0.703 173.926 174.600 0.049 0.000 1.219 345 S CA -0.653 57.565 58.200 0.029 0.000 1.062 345 S CB 1.190 64.431 63.200 0.067 0.000 0.978 345 S HN 0.455 nan 8.310 nan 0.000 0.489 346 I N 2.365 122.942 120.570 0.011 0.000 2.499 346 I HA 0.707 4.883 4.170 0.010 0.000 0.288 346 I C 0.896 177.014 176.117 0.001 0.000 1.048 346 I CA 0.304 61.611 61.300 0.011 0.000 1.062 346 I CB 0.787 38.771 38.000 -0.026 0.000 1.238 346 I HN 1.148 nan 8.210 nan 0.000 0.426 347 G N 4.933 113.749 108.800 0.027 0.000 2.466 347 G HA2 -0.248 3.718 3.960 0.010 0.000 0.218 347 G HA3 -0.248 3.718 3.960 0.010 0.000 0.218 347 G C 0.619 175.559 174.900 0.068 0.000 1.237 347 G CA 0.148 45.272 45.100 0.039 0.000 0.954 347 G HN 0.760 nan 8.290 nan 0.000 0.580 348 T N -1.232 113.323 114.554 0.001 0.000 3.072 348 T HA 0.126 4.482 4.350 0.010 0.000 0.266 348 T C 2.571 177.269 174.700 -0.002 0.000 1.127 348 T CA 2.171 64.259 62.100 -0.020 0.000 1.107 348 T CB -0.408 68.162 68.868 -0.496 0.000 0.910 348 T HN 1.934 nan 8.240 nan 0.000 0.513 349 S N 0.993 116.678 115.700 -0.024 0.000 2.469 349 S HA -0.070 4.406 4.470 0.010 0.000 0.238 349 S C 2.142 176.796 174.600 0.091 0.000 0.998 349 S CA 1.045 59.257 58.200 0.021 0.000 0.957 349 S CB -0.512 62.686 63.200 -0.003 0.000 0.764 349 S HN 0.550 nan 8.310 nan 0.000 0.514 350 S N 0.148 115.907 115.700 0.100 0.000 2.438 350 S HA 0.278 4.754 4.470 0.010 0.000 0.220 350 S C 0.742 175.399 174.600 0.095 0.000 1.045 350 S CA 0.552 58.810 58.200 0.098 0.000 0.940 350 S CB -0.241 62.993 63.200 0.057 0.000 0.863 350 S HN 1.005 nan 8.310 nan 0.000 0.539 351 C N -0.731 118.625 119.300 0.094 0.000 3.321 351 C HA 0.875 5.341 4.460 0.010 0.000 0.329 351 C C -1.347 173.861 174.990 0.363 0.000 1.394 351 C CA -1.542 57.483 59.018 0.012 0.000 1.291 351 C CB 0.432 27.782 27.740 -0.650 0.000 1.606 351 C HN 0.499 nan 8.230 nan 0.000 0.463 352 F N 0.594 120.732 119.950 0.313 0.000 2.635 352 F HA 0.723 5.256 4.527 0.010 0.000 0.314 352 F C -1.338 174.847 175.800 0.642 0.000 1.119 352 F CA -0.541 57.764 58.000 0.509 0.000 1.000 352 F CB 1.518 40.828 39.000 0.516 0.000 1.278 352 F HN 0.911 nan 8.300 nan 0.000 0.446 353 V N 5.669 125.401 119.914 -0.304 0.000 2.925 353 V HA 0.420 4.546 4.120 0.010 0.000 0.311 353 V C -0.950 174.571 176.094 -0.955 0.000 1.104 353 V CA -0.605 61.525 62.300 -0.284 0.000 0.954 353 V CB 2.033 33.905 31.823 0.081 0.000 1.022 353 V HN 0.874 nan 8.190 nan 0.000 0.427 354 E N 6.676 126.647 120.200 -0.380 0.000 2.508 354 E HA 0.014 4.370 4.350 0.010 0.000 0.266 354 E C -2.130 174.495 176.600 0.040 0.000 1.010 354 E CA -0.834 55.531 56.400 -0.057 0.000 0.955 354 E CB 0.302 30.294 29.700 0.487 0.000 0.946 354 E HN 0.531 nan 8.360 nan 0.000 0.454 355 P HA 0.011 nan 4.420 nan 0.000 0.235 355 P C 0.626 178.127 177.300 0.335 0.000 1.725 355 P CA -0.153 63.047 63.100 0.167 0.000 0.894 355 P CB -0.037 31.691 31.700 0.047 0.000 1.704 356 L N 0.390 121.746 121.223 0.221 0.000 2.191 356 L HA -0.051 4.295 4.340 0.010 0.000 0.212 356 L C 1.329 178.098 176.870 -0.168 0.000 1.103 356 L CA 1.991 56.659 54.840 -0.286 0.000 0.769 356 L CB -0.468 41.277 42.059 -0.523 0.000 0.908 356 L HN -0.049 nan 8.230 nan 0.000 0.438 357 E N -1.048 119.149 120.200 -0.005 0.000 2.812 357 E HA 0.228 4.584 4.350 0.010 0.000 0.211 357 E C 0.045 176.789 176.600 0.239 0.000 0.986 357 E CA 0.372 56.876 56.400 0.174 0.000 1.119 357 E CB 0.355 30.221 29.700 0.276 0.000 1.046 357 E HN 0.276 nan 8.360 nan 0.000 0.474 358 S N 0.345 116.123 115.700 0.130 0.000 3.711 358 S HA -0.156 4.320 4.470 0.010 0.000 0.374 358 S C 1.043 175.691 174.600 0.081 0.000 0.969 358 S CA 1.158 59.423 58.200 0.109 0.000 1.198 358 S CB -2.040 61.266 63.200 0.177 0.000 0.903 358 S HN 0.496 nan 8.310 nan 0.000 0.493 359 T N -3.173 111.349 114.554 -0.054 0.000 3.054 359 T HA 0.381 4.737 4.350 0.010 0.000 0.255 359 T C 1.851 176.232 174.700 -0.531 0.000 1.035 359 T CA 0.597 62.526 62.100 -0.284 0.000 0.941 359 T CB 0.383 68.955 68.868 -0.494 0.000 1.026 359 T HN 0.558 nan 8.240 nan 0.000 0.533 360 G N 2.426 111.057 108.800 -0.281 0.000 2.404 360 G HA2 -0.025 3.941 3.960 0.010 0.000 0.215 360 G HA3 -0.025 3.941 3.960 0.010 0.000 0.215 360 G C 1.396 176.241 174.900 -0.092 0.000 1.174 360 G CA 0.630 45.622 45.100 -0.179 0.000 0.780 360 G HN 0.453 nan 8.290 nan 0.000 0.537 361 I N -0.216 120.323 120.570 -0.051 0.000 2.286 361 I HA -0.078 4.098 4.170 0.010 0.000 0.245 361 I C 2.445 178.401 176.117 -0.267 0.000 1.104 361 I CA 0.817 62.096 61.300 -0.036 0.000 1.397 361 I CB -1.133 36.943 38.000 0.126 0.000 1.072 361 I HN 0.256 nan 8.210 nan 0.000 0.417 362 Y N 2.034 122.064 120.300 -0.450 0.000 2.151 362 Y HA -0.303 4.252 4.550 0.009 0.000 0.284 362 Y C 2.429 177.980 175.900 -0.582 0.000 1.166 362 Y CA 1.686 59.255 58.100 -0.885 0.000 1.163 362 Y CB -0.576 37.649 38.460 -0.392 0.000 0.974 362 Y HN -0.025 nan 8.280 nan 0.000 0.511 363 F N -0.751 118.947 119.950 -0.420 0.000 2.269 363 F HA -0.184 4.349 4.527 0.010 0.000 0.301 363 F C 2.400 177.982 175.800 -0.362 0.000 1.082 363 F CA 0.948 58.732 58.000 -0.360 0.000 1.360 363 F CB -1.309 37.654 39.000 -0.062 0.000 1.041 363 F HN -0.006 nan 8.300 nan 0.000 0.512 364 V N -0.279 119.536 119.914 -0.166 0.000 2.283 364 V HA -0.288 3.838 4.120 0.010 0.000 0.243 364 V C 2.242 178.181 176.094 -0.259 0.000 1.039 364 V CA 2.064 64.265 62.300 -0.165 0.000 1.016 364 V CB -1.199 30.544 31.823 -0.134 0.000 0.650 364 V HN 0.416 nan 8.190 nan 0.000 0.449 365 Y N 0.955 121.052 120.300 -0.339 0.000 2.337 365 Y HA 0.284 4.841 4.550 0.012 0.000 0.293 365 Y C 2.373 177.987 175.900 -0.477 0.000 1.123 365 Y CA 0.701 58.530 58.100 -0.451 0.000 1.201 365 Y CB -1.340 36.874 38.460 -0.411 0.000 1.011 365 Y HN 0.054 nan 8.280 nan 0.000 0.545 366 A N 1.754 124.256 122.820 -0.530 0.000 1.883 366 A HA -0.126 4.200 4.320 0.010 0.000 0.217 366 A C 2.530 180.030 177.584 -0.139 0.000 1.186 366 A CA 2.457 54.334 52.037 -0.266 0.000 0.624 366 A CB -1.433 17.256 19.000 -0.518 0.000 0.822 366 A HN 0.651 nan 8.150 nan 0.000 0.444 367 A N -0.490 122.233 122.820 -0.162 0.000 1.898 367 A HA -0.003 4.323 4.320 0.010 0.000 0.216 367 A C 2.176 179.784 177.584 0.039 0.000 1.181 367 A CA 1.442 53.454 52.037 -0.042 0.000 0.620 367 A CB -0.608 18.393 19.000 0.003 0.000 0.819 367 A HN 0.470 nan 8.150 nan 0.000 0.442 368 L N -2.050 119.074 121.223 -0.167 0.000 2.042 368 L HA -0.225 4.121 4.340 0.010 0.000 0.210 368 L C 2.586 179.231 176.870 -0.375 0.000 1.076 368 L CA 1.943 56.582 54.840 -0.334 0.000 0.749 368 L CB -0.647 41.007 42.059 -0.674 0.000 0.893 368 L HN 0.625 nan 8.230 nan 0.000 0.432 369 Y N 0.512 120.484 120.300 -0.547 0.000 2.145 369 Y HA -0.282 4.273 4.550 0.009 0.000 0.286 369 Y C 2.776 178.634 175.900 -0.071 0.000 1.145 369 Y CA 1.545 59.440 58.100 -0.342 0.000 1.148 369 Y CB -0.063 38.136 38.460 -0.436 0.000 0.981 369 Y HN 0.151 nan 8.280 nan 0.000 0.507 370 Q N -0.032 119.833 119.800 0.109 0.000 2.124 370 Q HA -0.172 4.174 4.340 0.010 0.000 0.202 370 Q C 2.320 178.626 176.000 0.511 0.000 0.977 370 Q CA 1.533 57.480 55.803 0.240 0.000 0.850 370 Q CB -0.743 28.058 28.738 0.104 0.000 0.901 370 Q HN 0.568 nan 8.270 nan 0.000 0.429 371 L N -0.022 121.459 121.223 0.429 0.000 2.056 371 L HA -0.096 4.250 4.340 0.010 0.000 0.207 371 L C 2.126 179.145 176.870 0.248 0.000 1.078 371 L CA 1.333 56.317 54.840 0.240 0.000 0.749 371 L CB -0.560 41.475 42.059 -0.041 0.000 0.901 371 L HN -0.079 nan 8.230 nan 0.000 0.433 372 V N 0.036 120.028 119.914 0.130 0.000 2.427 372 V HA -0.264 3.862 4.120 0.010 0.000 0.248 372 V C 2.659 178.769 176.094 0.026 0.000 1.051 372 V CA 1.989 64.330 62.300 0.068 0.000 1.048 372 V CB -0.737 31.073 31.823 -0.022 0.000 0.666 372 V HN 0.543 nan 8.190 nan 0.000 0.456 373 K N -0.147 120.179 120.400 -0.123 0.000 2.097 373 K HA -0.180 4.145 4.320 0.010 0.000 0.206 373 K C 1.408 177.899 176.600 -0.181 0.000 1.049 373 K CA 1.646 57.783 56.287 -0.251 0.000 0.933 373 K CB -0.100 32.123 32.500 -0.461 0.000 0.717 373 K HN 0.618 nan 8.250 nan 0.000 0.442 374 H N -1.187 117.984 119.070 0.170 0.000 2.524 374 H HA 0.141 4.703 4.556 0.010 0.000 0.299 374 H C -0.952 174.540 175.328 0.273 0.000 1.074 374 H CA -0.648 55.540 56.048 0.233 0.000 1.115 374 H CB -0.146 29.825 29.762 0.348 0.000 1.522 374 H HN 0.015 nan 8.280 nan 0.000 0.543 375 F N 4.334 124.371 119.950 0.145 0.000 2.602 375 F HA 0.089 4.622 4.527 0.011 0.000 0.385 375 F C -1.728 174.154 175.800 0.136 0.000 1.063 375 F CA -2.213 55.847 58.000 0.101 0.000 1.233 375 F CB 0.570 39.582 39.000 0.019 0.000 1.067 375 F HN 0.159 nan 8.300 nan 0.000 0.564 376 P HA 0.250 nan 4.420 nan 0.000 0.281 376 P C -1.407 175.809 177.300 -0.139 0.000 1.281 376 P CA -0.493 62.536 63.100 -0.119 0.000 0.811 376 P CB 1.244 32.924 31.700 -0.034 0.000 1.154 377 D N -1.213 119.167 120.400 -0.033 0.000 2.588 377 D HA 0.196 4.842 4.640 0.010 0.000 0.268 377 D C 0.765 177.051 176.300 -0.023 0.000 1.176 377 D CA -0.689 53.305 54.000 -0.009 0.000 1.080 377 D CB 0.420 41.237 40.800 0.028 0.000 1.186 377 D HN 0.140 nan 8.370 nan 0.000 0.619 378 K N -0.900 119.498 120.400 -0.003 0.000 2.442 378 K HA -0.080 4.246 4.320 0.010 0.000 0.199 378 K C 1.543 178.147 176.600 0.006 0.000 1.044 378 K CA 1.264 57.551 56.287 0.001 0.000 0.941 378 K CB -0.161 32.344 32.500 0.010 0.000 0.759 378 K HN 0.469 nan 8.250 nan 0.000 0.472 379 S N 0.456 116.157 115.700 0.002 0.000 2.593 379 S HA 0.071 4.547 4.470 0.010 0.000 0.217 379 S C 0.642 175.237 174.600 -0.009 0.000 0.966 379 S CA -0.284 57.915 58.200 -0.000 0.000 0.914 379 S CB -0.466 62.733 63.200 -0.001 0.000 0.776 379 S HN 0.309 nan 8.310 nan 0.000 0.523 380 L N 1.553 122.771 121.223 -0.007 0.000 3.795 380 L HA -0.175 4.171 4.340 0.010 0.000 0.489 380 L C 0.185 177.011 176.870 -0.073 0.000 1.259 380 L CA 0.041 54.871 54.840 -0.017 0.000 0.765 380 L CB -2.216 39.849 42.059 0.010 0.000 1.519 380 L HN 0.466 nan 8.230 nan 0.000 0.842 381 N N 2.437 121.101 118.700 -0.061 0.000 2.160 381 N HA -0.064 4.682 4.740 0.010 0.000 0.283 381 N C -0.688 174.734 175.510 -0.147 0.000 1.363 381 N CA -0.429 52.575 53.050 -0.075 0.000 0.848 381 N CB 0.892 39.355 38.487 -0.040 0.000 1.127 381 N HN 0.225 nan 8.380 nan 0.000 0.493 382 P HA -0.143 nan 4.420 nan 0.000 0.220 382 P C 1.354 178.544 177.300 -0.184 0.000 1.144 382 P CA 0.760 63.748 63.100 -0.186 0.000 0.800 382 P CB 0.340 31.966 31.700 -0.122 0.000 0.772 383 V N -0.143 119.700 119.914 -0.117 0.000 2.453 383 V HA -0.177 3.949 4.120 0.010 0.000 0.247 383 V C 2.712 178.762 176.094 -0.073 0.000 1.048 383 V CA 1.311 63.566 62.300 -0.074 0.000 1.049 383 V CB -1.061 30.747 31.823 -0.024 0.000 0.672 383 V HN 0.032 nan 8.190 nan 0.000 0.457 384 L N -0.318 120.851 121.223 -0.090 0.000 2.056 384 L HA -0.153 4.193 4.340 0.010 0.000 0.207 384 L C 2.647 179.362 176.870 -0.259 0.000 1.078 384 L CA 1.907 56.728 54.840 -0.032 0.000 0.749 384 L CB -1.159 40.913 42.059 0.022 0.000 0.901 384 L HN 0.322 nan 8.230 nan 0.000 0.433 385 T N 0.113 114.272 114.554 -0.659 0.000 2.708 385 T HA -0.183 4.173 4.350 0.010 0.000 0.266 385 T C 2.012 176.476 174.700 -0.393 0.000 1.037 385 T CA 1.455 62.925 62.100 -1.049 0.000 1.146 385 T CB -0.245 67.862 68.868 -1.270 0.000 0.865 385 T HN 0.448 nan 8.240 nan 0.000 0.435 386 A N 1.697 124.361 122.820 -0.259 0.000 1.930 386 A HA -0.070 4.256 4.320 0.010 0.000 0.217 386 A C 2.409 179.942 177.584 -0.084 0.000 1.175 386 A CA 0.952 52.911 52.037 -0.131 0.000 0.627 386 A CB -0.289 18.652 19.000 -0.099 0.000 0.815 386 A HN 0.184 nan 8.150 nan 0.000 0.443 387 R N -1.350 119.094 120.500 -0.093 0.000 2.075 387 R HA -0.070 4.276 4.340 0.010 0.000 0.232 387 R C 1.919 178.056 176.300 -0.272 0.000 1.126 387 R CA 1.366 57.407 56.100 -0.098 0.000 0.963 387 R CB -1.293 29.034 30.300 0.044 0.000 0.858 387 R HN 0.637 nan 8.270 nan 0.000 0.435 388 F N 2.821 122.433 119.950 -0.564 0.000 2.069 388 F HA -0.241 4.292 4.527 0.009 0.000 0.298 388 F C 1.889 177.621 175.800 -0.114 0.000 1.113 388 F CA 1.624 59.380 58.000 -0.406 0.000 1.214 388 F CB -0.332 38.662 39.000 -0.010 0.000 0.978 388 F HN -0.013 nan 8.300 nan 0.000 0.474 389 N N 0.586 119.348 118.700 0.105 0.000 2.094 389 N HA -0.250 4.496 4.740 0.010 0.000 0.191 389 N C 1.942 177.408 175.510 -0.074 0.000 1.023 389 N CA 1.626 54.694 53.050 0.029 0.000 0.857 389 N CB -0.589 37.941 38.487 0.071 0.000 1.013 389 N HN 0.302 nan 8.380 nan 0.000 0.426 390 R N 1.498 121.959 120.500 -0.064 0.000 2.096 390 R HA -0.037 4.309 4.340 0.010 0.000 0.235 390 R C 1.634 177.922 176.300 -0.021 0.000 1.127 390 R CA 1.221 57.303 56.100 -0.030 0.000 0.968 390 R CB -0.099 30.198 30.300 -0.006 0.000 0.861 390 R HN 0.132 nan 8.270 nan 0.000 0.440 391 E N 0.444 120.607 120.200 -0.062 0.000 2.106 391 E HA -0.124 4.232 4.350 0.010 0.000 0.192 391 E C 1.950 178.566 176.600 0.027 0.000 0.984 391 E CA 0.927 57.355 56.400 0.048 0.000 0.806 391 E CB -0.110 29.580 29.700 -0.015 0.000 0.750 391 E HN 0.352 nan 8.360 nan 0.000 0.458 392 I N 1.267 121.716 120.570 -0.203 0.000 2.202 392 I HA -0.178 3.998 4.170 0.010 0.000 0.242 392 I C 2.236 178.305 176.117 -0.080 0.000 1.091 392 I CA 0.972 62.149 61.300 -0.205 0.000 1.368 392 I CB -1.219 36.575 38.000 -0.344 0.000 1.058 392 I HN 0.128 nan 8.210 nan 0.000 0.410 393 E N 0.545 120.717 120.200 -0.046 0.000 2.086 393 E HA -0.234 4.122 4.350 0.010 0.000 0.200 393 E C 2.111 178.744 176.600 0.055 0.000 1.012 393 E CA 2.427 58.840 56.400 0.020 0.000 0.812 393 E CB -0.034 29.674 29.700 0.013 0.000 0.743 393 E HN 0.480 nan 8.360 nan 0.000 0.453 394 T N 0.871 115.443 114.554 0.029 0.000 2.770 394 T HA -0.134 4.222 4.350 0.010 0.000 0.263 394 T C 1.815 176.507 174.700 -0.013 0.000 1.039 394 T CA 1.131 63.244 62.100 0.022 0.000 1.142 394 T CB -0.188 68.696 68.868 0.026 0.000 0.868 394 T HN 0.203 nan 8.240 nan 0.000 0.435 395 M N 0.297 119.860 119.600 -0.063 0.000 2.073 395 M HA -0.154 4.332 4.480 0.010 0.000 0.258 395 M C 2.069 178.347 176.300 -0.037 0.000 1.070 395 M CA 1.956 57.174 55.300 -0.137 0.000 1.103 395 M CB -0.324 32.204 32.600 -0.120 0.000 1.321 395 M HN 0.273 nan 8.290 nan 0.000 0.405 396 F N 1.313 121.133 119.950 -0.216 0.000 2.084 396 F HA -0.216 4.316 4.527 0.010 0.000 0.296 396 F C 1.778 177.588 175.800 0.017 0.000 1.111 396 F CA 2.105 59.984 58.000 -0.201 0.000 1.224 396 F CB -0.529 38.310 39.000 -0.268 0.000 0.991 396 F HN 0.240 nan 8.300 nan 0.000 0.471 397 D N 0.320 120.716 120.400 -0.007 0.000 2.117 397 D HA -0.178 4.468 4.640 0.010 0.000 0.197 397 D C 1.898 178.155 176.300 -0.071 0.000 0.987 397 D CA 1.508 55.468 54.000 -0.065 0.000 0.829 397 D CB -0.610 40.210 40.800 0.034 0.000 0.961 397 D HN 0.326 nan 8.370 nan 0.000 0.460 398 D N -0.120 120.304 120.400 0.040 0.000 2.149 398 D HA -0.098 4.548 4.640 0.010 0.000 0.198 398 D C 1.922 178.367 176.300 0.241 0.000 0.990 398 D CA 1.108 55.209 54.000 0.168 0.000 0.839 398 D CB -0.272 40.685 40.800 0.262 0.000 0.948 398 D HN 0.182 nan 8.370 nan 0.000 0.460 399 T N 0.481 115.199 114.554 0.273 0.000 2.812 399 T HA -0.108 4.248 4.350 0.010 0.000 0.264 399 T C 1.910 176.623 174.700 0.022 0.000 1.042 399 T CA 0.634 62.950 62.100 0.360 0.000 1.140 399 T CB 0.110 69.335 68.868 0.594 0.000 0.870 399 T HN 0.136 nan 8.240 nan 0.000 0.445 400 R N 1.159 121.511 120.500 -0.246 0.000 2.096 400 R HA -0.188 4.158 4.340 0.010 0.000 0.240 400 R C 1.744 177.980 176.300 -0.106 0.000 1.139 400 R CA 2.179 58.120 56.100 -0.265 0.000 0.952 400 R CB -0.429 29.611 30.300 -0.434 0.000 0.854 400 R HN 0.290 nan 8.270 nan 0.000 0.436 401 D N -0.166 120.178 120.400 -0.094 0.000 2.117 401 D HA -0.177 4.469 4.640 0.010 0.000 0.197 401 D C 1.598 177.922 176.300 0.040 0.000 0.987 401 D CA 1.074 55.046 54.000 -0.047 0.000 0.829 401 D CB -0.446 40.340 40.800 -0.025 0.000 0.961 401 D HN 0.224 nan 8.370 nan 0.000 0.460 402 F N 1.263 121.119 119.950 -0.157 0.000 2.171 402 F HA -0.063 4.470 4.527 0.010 0.000 0.300 402 F C 2.102 177.820 175.800 -0.137 0.000 1.090 402 F CA 0.866 58.703 58.000 -0.271 0.000 1.293 402 F CB -0.281 38.211 39.000 -0.847 0.000 1.013 402 F HN -0.122 nan 8.300 nan 0.000 0.486 403 I N -0.025 120.410 120.570 -0.225 0.000 2.202 403 I HA -0.301 3.875 4.170 0.010 0.000 0.242 403 I C 2.554 178.690 176.117 0.032 0.000 1.091 403 I CA 1.524 62.649 61.300 -0.292 0.000 1.368 403 I CB -0.696 37.213 38.000 -0.151 0.000 1.058 403 I HN 0.220 nan 8.210 nan 0.000 0.410 404 Q N 1.346 121.226 119.800 0.133 0.000 2.133 404 Q HA -0.293 4.053 4.340 0.010 0.000 0.208 404 Q C 2.257 178.394 176.000 0.229 0.000 0.991 404 Q CA 2.396 58.349 55.803 0.249 0.000 0.867 404 Q CB -0.184 28.640 28.738 0.144 0.000 0.911 404 Q HN 0.547 nan 8.270 nan 0.000 0.417 405 A N 0.052 122.937 122.820 0.107 0.000 1.978 405 A HA -0.245 4.081 4.320 0.010 0.000 0.220 405 A C 1.526 179.154 177.584 0.074 0.000 1.170 405 A CA 1.843 53.972 52.037 0.153 0.000 0.636 405 A CB -0.939 18.114 19.000 0.089 0.000 0.810 405 A HN 0.603 nan 8.150 nan 0.000 0.448 406 H N -1.696 117.173 119.070 -0.334 0.000 2.422 406 H HA -0.077 4.485 4.556 0.010 0.000 0.298 406 H C 1.470 176.672 175.328 -0.210 0.000 1.098 406 H CA 1.989 57.711 56.048 -0.544 0.000 1.315 406 H CB -0.315 28.861 29.762 -0.976 0.000 1.382 406 H HN 0.624 nan 8.280 nan 0.000 0.523 407 F N -2.240 117.932 119.950 0.371 0.000 2.374 407 F HA 0.018 4.551 4.527 0.010 0.000 0.291 407 F C 2.183 178.129 175.800 0.243 0.000 1.084 407 F CA 0.265 58.516 58.000 0.417 0.000 1.413 407 F CB -0.656 38.468 39.000 0.205 0.000 1.099 407 F HN 0.055 nan 8.300 nan 0.000 0.534 408 Y N -0.723 119.647 120.300 0.118 0.000 2.293 408 Y HA -0.158 4.398 4.550 0.010 0.000 0.291 408 Y C 1.332 177.014 175.900 -0.363 0.000 1.137 408 Y CA 1.549 59.529 58.100 -0.201 0.000 1.202 408 Y CB -0.336 37.875 38.460 -0.415 0.000 0.990 408 Y HN -0.009 nan 8.280 nan 0.000 0.537 409 F N -0.963 119.072 119.950 0.141 0.000 2.695 409 F HA 0.232 4.765 4.527 0.010 0.000 0.303 409 F C 1.267 177.052 175.800 -0.026 0.000 1.091 409 F CA 0.007 58.006 58.000 -0.000 0.000 1.300 409 F CB -0.352 38.617 39.000 -0.053 0.000 1.071 409 F HN -0.223 nan 8.300 nan 0.000 0.578 410 S N 3.357 119.174 115.700 0.195 0.000 2.546 410 S HA 0.021 4.497 4.470 0.010 0.000 0.290 410 S C -1.125 173.505 174.600 0.050 0.000 1.290 410 S CA -1.008 57.283 58.200 0.152 0.000 1.069 410 S CB 0.648 64.013 63.200 0.274 0.000 0.846 410 S HN 0.031 nan 8.310 nan 0.000 0.495 411 P HA 0.039 nan 4.420 nan 0.000 0.245 411 P C -0.138 177.123 177.300 -0.065 0.000 1.212 411 P CA 0.130 63.213 63.100 -0.028 0.000 0.774 411 P CB 0.070 31.754 31.700 -0.027 0.000 0.999 412 R N 0.551 120.967 120.500 -0.140 0.000 2.537 412 R HA 0.210 4.556 4.340 0.010 0.000 0.280 412 R C 1.081 177.365 176.300 -0.027 0.000 1.058 412 R CA 0.848 56.824 56.100 -0.207 0.000 1.057 412 R CB 0.017 29.922 30.300 -0.659 0.000 0.973 412 R HN 0.104 nan 8.270 nan 0.000 0.438 413 T N -3.079 111.473 114.554 -0.003 0.000 3.275 413 T HA 0.008 4.364 4.350 0.010 0.000 0.298 413 T C 0.585 175.337 174.700 0.086 0.000 0.988 413 T CA -0.432 61.703 62.100 0.059 0.000 0.936 413 T CB 0.126 69.007 68.868 0.022 0.000 1.159 413 T HN 0.638 nan 8.240 nan 0.000 0.519 414 D N 1.700 122.154 120.400 0.090 0.000 2.323 414 D HA -0.007 4.639 4.640 0.010 0.000 0.209 414 D C 0.977 177.372 176.300 0.159 0.000 0.973 414 D CA 0.566 54.621 54.000 0.092 0.000 0.874 414 D CB -0.031 40.794 40.800 0.042 0.000 0.930 414 D HN 0.578 nan 8.370 nan 0.000 0.521 415 T N -3.605 111.110 114.554 0.269 0.000 2.916 415 T HA 0.419 4.775 4.350 0.010 0.000 0.292 415 T C -2.351 172.468 174.700 0.197 0.000 1.064 415 T CA -1.782 60.470 62.100 0.254 0.000 1.011 415 T CB 2.580 71.643 68.868 0.324 0.000 1.152 415 T HN -0.414 nan 8.240 nan 0.000 0.510 416 P HA -0.056 nan 4.420 nan 0.000 0.216 416 P C 1.226 178.454 177.300 -0.120 0.000 1.150 416 P CA 0.812 64.019 63.100 0.177 0.000 0.843 416 P CB -0.142 31.792 31.700 0.390 0.000 0.787 417 F N -1.026 118.644 119.950 -0.467 0.000 2.075 417 F HA -0.167 4.366 4.527 0.010 0.000 0.297 417 F C 1.867 177.237 175.800 -0.717 0.000 1.113 417 F CA 1.443 58.807 58.000 -1.060 0.000 1.218 417 F CB -1.041 37.441 39.000 -0.863 0.000 0.984 417 F HN -0.136 nan 8.300 nan 0.000 0.472 418 W N 0.783 121.929 121.300 -0.256 0.000 2.363 418 W HA -0.058 4.608 4.660 0.010 0.000 0.296 418 W C 2.571 178.936 176.519 -0.258 0.000 1.212 418 W CA 1.229 58.421 57.345 -0.256 0.000 1.260 418 W CB -0.467 28.979 29.460 -0.023 0.000 1.131 418 W HN -0.123 nan 8.180 nan 0.000 0.530 419 R N -0.039 120.454 120.500 -0.011 0.000 2.090 419 R HA -0.020 4.326 4.340 0.010 0.000 0.228 419 R C 2.335 178.564 176.300 -0.117 0.000 1.110 419 R CA 1.283 57.362 56.100 -0.035 0.000 0.973 419 R CB -0.774 29.535 30.300 0.015 0.000 0.869 419 R HN 0.143 nan 8.270 nan 0.000 0.440 420 A N 1.498 124.185 122.820 -0.221 0.000 1.968 420 A HA -0.107 4.219 4.320 0.010 0.000 0.217 420 A C 1.682 179.126 177.584 -0.233 0.000 1.169 420 A CA 0.968 52.897 52.037 -0.180 0.000 0.638 420 A CB -0.329 18.578 19.000 -0.156 0.000 0.812 420 A HN 0.237 nan 8.150 nan 0.000 0.446 421 N N 0.374 118.835 118.700 -0.399 0.000 2.149 421 N HA -0.160 4.586 4.740 0.010 0.000 0.188 421 N C 1.451 176.889 175.510 -0.119 0.000 1.019 421 N CA 1.532 54.420 53.050 -0.270 0.000 0.857 421 N CB -0.240 38.066 38.487 -0.302 0.000 0.997 421 N HN 0.578 nan 8.380 nan 0.000 0.426 422 K N 0.702 120.984 120.400 -0.197 0.000 2.288 422 K HA -0.002 4.324 4.320 0.010 0.000 0.201 422 K C 1.115 177.621 176.600 -0.156 0.000 1.048 422 K CA 0.606 56.687 56.287 -0.343 0.000 0.956 422 K CB 0.195 32.505 32.500 -0.316 0.000 0.746 422 K HN 0.082 nan 8.250 nan 0.000 0.461 423 E N 0.662 120.826 120.200 -0.061 0.000 2.502 423 E HA 0.056 4.412 4.350 0.010 0.000 0.194 423 E C 0.458 177.084 176.600 0.044 0.000 1.062 423 E CA 0.271 56.670 56.400 -0.001 0.000 0.867 423 E CB 0.048 29.747 29.700 -0.003 0.000 0.888 423 E HN 0.292 nan 8.360 nan 0.000 0.510 424 L N 0.730 122.001 121.223 0.080 0.000 2.456 424 L HA 0.272 4.618 4.340 0.010 0.000 0.257 424 L C 0.891 177.821 176.870 0.100 0.000 1.162 424 L CA -0.421 54.458 54.840 0.065 0.000 0.808 424 L CB 0.686 42.775 42.059 0.049 0.000 1.136 424 L HN -0.252 nan 8.230 nan 0.000 0.466 425 R N 0.908 121.411 120.500 0.005 0.000 2.404 425 R HA 0.491 4.837 4.340 0.010 0.000 0.291 425 R C -0.824 175.458 176.300 -0.030 0.000 1.025 425 R CA -0.723 55.371 56.100 -0.011 0.000 0.991 425 R CB 1.076 31.375 30.300 -0.001 0.000 1.053 425 R HN 0.426 nan 8.270 nan 0.000 0.479 426 L N 2.325 123.441 121.223 -0.178 0.000 2.417 426 L HA 0.265 4.611 4.340 0.010 0.000 0.268 426 L C 0.765 177.648 176.870 0.022 0.000 1.158 426 L CA -0.401 54.356 54.840 -0.138 0.000 0.819 426 L CB 0.899 42.779 42.059 -0.298 0.000 1.112 426 L HN 0.683 nan 8.230 nan 0.000 0.458 427 A N 1.580 124.412 122.820 0.021 0.000 2.466 427 A HA 0.004 4.330 4.320 0.010 0.000 0.238 427 A C 0.897 178.476 177.584 -0.010 0.000 1.074 427 A CA -0.335 51.708 52.037 0.009 0.000 0.774 427 A CB 0.099 19.013 19.000 -0.144 0.000 1.015 427 A HN 0.873 nan 8.150 nan 0.000 0.498 428 D N 2.055 122.460 120.400 0.009 0.000 2.149 428 D HA -0.162 4.484 4.640 0.010 0.000 0.194 428 D C 2.067 178.362 176.300 -0.008 0.000 1.001 428 D CA 2.145 56.147 54.000 0.003 0.000 0.849 428 D CB -0.527 40.280 40.800 0.012 0.000 0.939 428 D HN 0.720 nan 8.370 nan 0.000 0.449 429 G N 0.357 109.150 108.800 -0.012 0.000 2.418 429 G HA2 -0.282 3.684 3.960 0.010 0.000 0.217 429 G HA3 -0.282 3.684 3.960 0.010 0.000 0.217 429 G C 1.583 176.467 174.900 -0.026 0.000 1.158 429 G CA 1.054 46.146 45.100 -0.013 0.000 0.771 429 G HN 0.179 nan 8.290 nan 0.000 0.545 430 M N 0.062 119.641 119.600 -0.034 0.000 2.175 430 M HA 0.035 4.521 4.480 0.010 0.000 0.264 430 M C 2.433 178.708 176.300 -0.042 0.000 1.063 430 M CA 1.610 56.888 55.300 -0.038 0.000 1.119 430 M CB -0.374 32.199 32.600 -0.045 0.000 1.377 430 M HN 0.267 nan 8.290 nan 0.000 0.415 431 Q N 0.429 120.208 119.800 -0.035 0.000 2.084 431 Q HA -0.207 4.139 4.340 0.010 0.000 0.202 431 Q C 1.963 177.953 176.000 -0.017 0.000 0.978 431 Q CA 2.328 58.122 55.803 -0.016 0.000 0.844 431 Q CB -0.432 28.300 28.738 -0.009 0.000 0.898 431 Q HN 0.719 nan 8.270 nan 0.000 0.426 432 E N -0.163 120.022 120.200 -0.024 0.000 2.058 432 E HA -0.247 4.109 4.350 0.010 0.000 0.194 432 E C 1.761 178.327 176.600 -0.056 0.000 0.997 432 E CA 1.396 57.779 56.400 -0.029 0.000 0.801 432 E CB 0.006 29.693 29.700 -0.023 0.000 0.746 432 E HN 0.314 nan 8.360 nan 0.000 0.450 433 K N 0.101 120.445 120.400 -0.093 0.000 2.032 433 K HA -0.168 4.158 4.320 0.010 0.000 0.209 433 K C 2.170 178.668 176.600 -0.170 0.000 1.048 433 K CA 1.342 57.523 56.287 -0.177 0.000 0.927 433 K CB -0.133 32.185 32.500 -0.303 0.000 0.712 433 K HN 0.211 nan 8.250 nan 0.000 0.441 434 I N 2.120 122.609 120.570 -0.134 0.000 2.208 434 I HA -0.258 3.918 4.170 0.010 0.000 0.245 434 I C 1.699 177.797 176.117 -0.032 0.000 1.097 434 I CA 1.597 62.828 61.300 -0.114 0.000 1.363 434 I CB -1.114 36.873 38.000 -0.021 0.000 1.051 434 I HN 0.169 nan 8.210 nan 0.000 0.413 435 D N 0.396 120.783 120.400 -0.021 0.000 2.123 435 D HA -0.186 4.460 4.640 0.010 0.000 0.196 435 D C 2.380 178.661 176.300 -0.031 0.000 0.992 435 D CA 1.222 55.212 54.000 -0.016 0.000 0.833 435 D CB -0.204 40.589 40.800 -0.011 0.000 0.954 435 D HN 0.277 nan 8.370 nan 0.000 0.455 436 M N -0.701 118.878 119.600 -0.034 0.000 2.080 436 M HA -0.202 4.284 4.480 0.010 0.000 0.260 436 M C 2.189 178.467 176.300 -0.037 0.000 1.068 436 M CA 1.281 56.561 55.300 -0.033 0.000 1.109 436 M CB -0.376 32.205 32.600 -0.032 0.000 1.342 436 M HN 0.072 nan 8.290 nan 0.000 0.405 437 Y N 1.064 121.244 120.300 -0.199 0.000 2.145 437 Y HA -0.218 4.338 4.550 0.010 0.000 0.286 437 Y C 2.341 178.069 175.900 -0.287 0.000 1.145 437 Y CA 1.724 59.662 58.100 -0.270 0.000 1.148 437 Y CB -0.188 38.039 38.460 -0.388 0.000 0.981 437 Y HN 0.047 nan 8.280 nan 0.000 0.507 438 R N -0.059 120.328 120.500 -0.188 0.000 2.152 438 R HA -0.107 4.239 4.340 0.010 0.000 0.232 438 R C 2.109 178.261 176.300 -0.247 0.000 1.117 438 R CA 0.989 56.934 56.100 -0.259 0.000 0.981 438 R CB -0.517 29.720 30.300 -0.105 0.000 0.870 438 R HN 0.436 nan 8.270 nan 0.000 0.451 439 A N -0.135 122.578 122.820 -0.178 0.000 2.251 439 A HA 0.238 4.564 4.320 0.010 0.000 0.209 439 A C 1.382 178.875 177.584 -0.153 0.000 1.187 439 A CA 0.792 52.751 52.037 -0.130 0.000 0.823 439 A CB 0.112 19.067 19.000 -0.075 0.000 0.846 439 A HN 0.442 nan 8.150 nan 0.000 0.486 440 G N -1.676 106.973 108.800 -0.251 0.000 2.176 440 G HA2 -0.231 3.735 3.960 0.010 0.000 0.232 440 G HA3 -0.231 3.735 3.960 0.010 0.000 0.232 440 G C 0.222 175.014 174.900 -0.180 0.000 0.986 440 G CA 0.221 45.153 45.100 -0.281 0.000 0.643 440 G HN 0.372 nan 8.290 nan 0.000 0.522 441 M N 1.211 120.776 119.600 -0.057 0.000 2.243 441 M HA 0.533 5.019 4.480 0.010 0.000 0.341 441 M C 1.102 177.569 176.300 0.277 0.000 1.130 441 M CA 0.343 55.714 55.300 0.118 0.000 1.162 441 M CB 0.965 33.599 32.600 0.056 0.000 1.497 441 M HN 0.474 nan 8.290 nan 0.000 0.456 442 A N 3.470 126.539 122.820 0.414 0.000 2.445 442 A HA 0.498 4.824 4.320 0.010 0.000 0.242 442 A C -0.352 177.357 177.584 0.209 0.000 1.075 442 A CA -0.269 51.987 52.037 0.365 0.000 0.777 442 A CB -0.054 19.070 19.000 0.207 0.000 1.013 442 A HN 0.804 nan 8.150 nan 0.000 0.493 443 I N 1.992 122.680 120.570 0.196 0.000 2.339 443 I HA 0.204 4.380 4.170 0.010 0.000 0.290 443 I C -0.261 175.933 176.117 0.128 0.000 0.994 443 I CA -0.491 60.843 61.300 0.057 0.000 1.191 443 I CB 0.984 38.862 38.000 -0.202 0.000 1.343 443 I HN 0.719 nan 8.210 nan 0.000 0.458 444 N N 4.095 122.856 118.700 0.101 0.000 2.705 444 N HA -0.189 4.557 4.740 0.010 0.000 0.255 444 N C 0.000 175.586 175.510 0.127 0.000 1.008 444 N CA 0.819 53.942 53.050 0.122 0.000 0.742 444 N CB -0.912 37.675 38.487 0.167 0.000 0.906 444 N HN 0.789 nan 8.380 nan 0.000 0.541 445 A N 0.525 123.420 122.820 0.126 0.000 2.561 445 A HA 0.273 4.599 4.320 0.010 0.000 0.234 445 A C -1.383 176.268 177.584 0.111 0.000 1.055 445 A CA -0.491 51.627 52.037 0.136 0.000 0.756 445 A CB 0.044 19.164 19.000 0.200 0.000 0.986 445 A HN 0.210 nan 8.150 nan 0.000 0.505 446 P HA 0.166 nan 4.420 nan 0.000 0.268 446 P C 0.669 178.053 177.300 0.140 0.000 1.204 446 P CA 0.554 63.664 63.100 0.017 0.000 0.768 446 P CB 1.014 32.604 31.700 -0.183 0.000 0.842 447 A N 2.793 125.677 122.820 0.106 0.000 1.978 447 A HA -0.071 4.255 4.320 0.010 0.000 0.220 447 A C 1.372 179.015 177.584 0.098 0.000 1.170 447 A CA 1.410 53.499 52.037 0.086 0.000 0.636 447 A CB -0.487 18.553 19.000 0.067 0.000 0.810 447 A HN 0.584 nan 8.150 nan 0.000 0.448 448 S N -1.419 114.353 115.700 0.120 0.000 2.532 448 S HA 0.342 4.818 4.470 0.010 0.000 0.301 448 S C 0.520 175.207 174.600 0.145 0.000 1.083 448 S CA -0.317 57.958 58.200 0.125 0.000 1.025 448 S CB 1.363 64.613 63.200 0.083 0.000 1.056 448 S HN 0.403 nan 8.310 nan 0.000 0.494 449 D N 2.157 122.671 120.400 0.190 0.000 2.312 449 D HA -0.081 4.565 4.640 0.010 0.000 0.211 449 D C 0.010 176.304 176.300 -0.010 0.000 0.964 449 D CA 0.515 54.569 54.000 0.091 0.000 0.877 449 D CB 0.106 41.037 40.800 0.218 0.000 0.924 449 D HN 0.589 nan 8.370 nan 0.000 0.515 450 D N -0.288 120.125 120.400 0.022 0.000 2.304 450 D HA 0.211 4.857 4.640 0.010 0.000 0.250 450 D C 0.742 177.058 176.300 0.028 0.000 1.107 450 D CA -0.117 53.898 54.000 0.026 0.000 0.885 450 D CB 1.973 42.801 40.800 0.047 0.000 1.192 450 D HN 0.082 nan 8.370 nan 0.000 0.436 451 A N 4.027 126.875 122.820 0.047 0.000 1.840 451 A HA -0.208 4.118 4.320 0.010 0.000 0.214 451 A C 1.973 179.649 177.584 0.154 0.000 1.198 451 A CA 1.335 53.434 52.037 0.102 0.000 0.608 451 A CB -0.442 18.639 19.000 0.135 0.000 0.839 451 A HN 0.710 nan 8.150 nan 0.000 0.443 452 Q N -0.021 119.856 119.800 0.128 0.000 2.077 452 Q HA -0.147 4.199 4.340 0.010 0.000 0.206 452 Q C 2.032 178.104 176.000 0.119 0.000 0.989 452 Q CA 1.852 57.731 55.803 0.127 0.000 0.853 452 Q CB -0.496 28.298 28.738 0.093 0.000 0.907 452 Q HN 0.669 nan 8.270 nan 0.000 0.418 453 L N -0.918 120.366 121.223 0.101 0.000 2.127 453 L HA -0.211 4.135 4.340 0.010 0.000 0.211 453 L C 2.206 179.137 176.870 0.101 0.000 1.089 453 L CA 1.125 56.021 54.840 0.094 0.000 0.757 453 L CB -0.452 41.657 42.059 0.084 0.000 0.899 453 L HN 0.274 nan 8.230 nan 0.000 0.434 454 Y N -0.197 120.066 120.300 -0.062 0.000 2.134 454 Y HA -0.195 4.360 4.550 0.009 0.000 0.283 454 Y C 2.078 177.902 175.900 -0.127 0.000 1.108 454 Y CA 1.270 59.267 58.100 -0.172 0.000 1.096 454 Y CB -0.381 37.861 38.460 -0.363 0.000 1.005 454 Y HN -0.032 nan 8.280 nan 0.000 0.487 455 Y N 0.001 120.344 120.300 0.071 0.000 2.553 455 Y HA 0.177 4.733 4.550 0.009 0.000 0.303 455 Y C 1.871 177.792 175.900 0.035 0.000 1.194 455 Y CA 0.600 58.693 58.100 -0.011 0.000 1.305 455 Y CB -0.386 38.099 38.460 0.041 0.000 1.045 455 Y HN 0.289 nan 8.280 nan 0.000 0.514 456 G N -1.207 107.685 108.800 0.153 0.000 3.104 456 G HA2 -0.028 3.938 3.960 0.010 0.000 0.237 456 G HA3 -0.028 3.938 3.960 0.010 0.000 0.237 456 G C -0.053 174.921 174.900 0.123 0.000 1.035 456 G CA -0.165 45.021 45.100 0.143 0.000 0.844 456 G HN 0.108 nan 8.290 nan 0.000 0.531 457 N N 0.211 118.962 118.700 0.085 0.000 2.524 457 N HA 0.237 4.982 4.740 0.010 0.000 0.261 457 N C -0.025 175.517 175.510 0.054 0.000 0.998 457 N CA -0.869 52.233 53.050 0.087 0.000 0.915 457 N CB 1.325 39.852 38.487 0.067 0.000 1.187 457 N HN -0.074 nan 8.380 nan 0.000 0.507 458 F N 3.212 123.129 119.950 -0.056 0.000 2.134 458 F HA -0.070 4.462 4.527 0.009 0.000 0.299 458 F C 2.042 177.764 175.800 -0.130 0.000 1.097 458 F CA 1.477 59.386 58.000 -0.151 0.000 1.264 458 F CB 0.296 39.067 39.000 -0.381 0.000 1.001 458 F HN 0.569 nan 8.300 nan 0.000 0.479 459 E N 0.402 120.569 120.200 -0.056 0.000 2.160 459 E HA -0.251 4.105 4.350 0.010 0.000 0.195 459 E C 2.043 178.630 176.600 -0.023 0.000 0.991 459 E CA 1.421 57.821 56.400 0.000 0.000 0.810 459 E CB -0.242 29.547 29.700 0.149 0.000 0.742 459 E HN 0.446 nan 8.360 nan 0.000 0.466 460 E N 0.625 120.798 120.200 -0.046 0.000 2.047 460 E HA -0.190 4.166 4.350 0.010 0.000 0.191 460 E C 1.913 178.428 176.600 -0.142 0.000 0.987 460 E CA 1.698 58.074 56.400 -0.040 0.000 0.799 460 E CB -0.214 29.482 29.700 -0.008 0.000 0.752 460 E HN 0.400 nan 8.360 nan 0.000 0.449 461 E N -1.324 118.659 120.200 -0.362 0.000 2.107 461 E HA -0.130 4.226 4.350 0.010 0.000 0.191 461 E C 1.835 178.275 176.600 -0.266 0.000 0.982 461 E CA 0.594 56.665 56.400 -0.548 0.000 0.809 461 E CB -0.265 28.995 29.700 -0.732 0.000 0.756 461 E HN 0.352 nan 8.360 nan 0.000 0.459 462 F N 1.565 121.195 119.950 -0.534 0.000 2.134 462 F HA -0.116 4.416 4.527 0.009 0.000 0.299 462 F C 2.232 177.952 175.800 -0.132 0.000 1.097 462 F CA 1.447 59.205 58.000 -0.403 0.000 1.264 462 F CB 0.093 38.767 39.000 -0.544 0.000 1.001 462 F HN -0.121 nan 8.300 nan 0.000 0.479 463 R N -0.429 120.105 120.500 0.056 0.000 2.189 463 R HA -0.103 4.243 4.340 0.010 0.000 0.223 463 R C 0.762 177.079 176.300 0.028 0.000 1.092 463 R CA 1.291 57.432 56.100 0.068 0.000 0.989 463 R CB -0.373 29.989 30.300 0.104 0.000 0.876 463 R HN 0.319 nan 8.270 nan 0.000 0.457 464 N N -0.358 118.362 118.700 0.034 0.000 2.622 464 N HA -0.002 4.744 4.740 0.010 0.000 0.304 464 N C -0.161 175.404 175.510 0.091 0.000 1.844 464 N CA -0.130 52.978 53.050 0.097 0.000 0.886 464 N CB 0.332 38.921 38.487 0.170 0.000 1.366 464 N HN -0.007 nan 8.380 nan 0.000 0.491 465 F N 0.532 120.348 119.950 -0.223 0.000 2.163 465 F HA 0.197 4.730 4.527 0.009 0.000 0.297 465 F C -0.109 175.332 175.800 -0.599 0.000 1.094 465 F CA 0.922 58.634 58.000 -0.480 0.000 1.290 465 F CB 0.252 38.817 39.000 -0.726 0.000 1.017 465 F HN 0.127 nan 8.300 nan 0.000 0.483 466 W N 2.447 123.634 121.300 -0.189 0.000 2.278 466 W HA 0.274 4.940 4.660 0.011 0.000 0.317 466 W C -0.308 176.109 176.519 -0.170 0.000 1.030 466 W CA -0.982 56.063 57.345 -0.500 0.000 1.334 466 W CB 0.308 29.272 29.460 -0.827 0.000 1.215 466 W HN -0.004 nan 8.180 nan 0.000 0.405 467 N N 0.244 118.956 118.700 0.020 0.000 2.563 467 N HA 0.267 5.013 4.740 0.010 0.000 0.288 467 N C 0.748 176.388 175.510 0.217 0.000 1.246 467 N CA -0.677 52.444 53.050 0.119 0.000 0.946 467 N CB 0.430 38.895 38.487 -0.037 0.000 1.213 467 N HN 0.292 nan 8.380 nan 0.000 0.578 468 N N -0.485 118.354 118.700 0.231 0.000 2.094 468 N HA -0.214 4.532 4.740 0.010 0.000 0.191 468 N C 0.841 176.536 175.510 0.309 0.000 1.023 468 N CA 2.027 55.272 53.050 0.324 0.000 0.857 468 N CB -0.232 38.403 38.487 0.246 0.000 1.013 468 N HN 0.539 nan 8.380 nan 0.000 0.426 469 S N -0.007 115.800 115.700 0.177 0.000 2.359 469 S HA -0.155 4.321 4.470 0.010 0.000 0.224 469 S C 1.595 176.335 174.600 0.234 0.000 1.035 469 S CA 1.665 60.016 58.200 0.252 0.000 1.018 469 S CB -0.773 62.544 63.200 0.195 0.000 0.876 469 S HN 0.560 nan 8.310 nan 0.000 0.448 470 N N 0.451 119.200 118.700 0.083 0.000 2.084 470 N HA -0.085 4.661 4.740 0.010 0.000 0.190 470 N C 1.550 176.910 175.510 -0.250 0.000 1.030 470 N CA 1.482 54.446 53.050 -0.143 0.000 0.849 470 N CB -0.410 37.959 38.487 -0.198 0.000 1.012 470 N HN 0.372 nan 8.380 nan 0.000 0.423 471 Y N -0.152 120.126 120.300 -0.036 0.000 2.145 471 Y HA -0.201 4.355 4.550 0.010 0.000 0.286 471 Y C 1.981 177.681 175.900 -0.334 0.000 1.145 471 Y CA 1.227 59.242 58.100 -0.142 0.000 1.148 471 Y CB -0.720 37.635 38.460 -0.174 0.000 0.981 471 Y HN 0.115 nan 8.280 nan 0.000 0.507 472 Y N -1.461 118.762 120.300 -0.127 0.000 2.145 472 Y HA -0.295 4.261 4.550 0.010 0.000 0.286 472 Y C 2.745 178.310 175.900 -0.559 0.000 1.145 472 Y CA 1.413 59.258 58.100 -0.426 0.000 1.148 472 Y CB -0.905 37.171 38.460 -0.641 0.000 0.981 472 Y HN 0.137 nan 8.280 nan 0.000 0.507 473 C N -1.168 118.093 119.300 -0.066 0.000 2.401 473 C HA -0.194 4.272 4.460 0.010 0.000 0.276 473 C C 2.742 177.567 174.990 -0.275 0.000 1.233 473 C CA 1.300 60.337 59.018 0.032 0.000 1.753 473 C CB -1.149 26.570 27.740 -0.035 0.000 2.029 473 C HN 0.373 nan 8.230 nan 0.000 0.478 474 V N 0.066 119.686 119.914 -0.490 0.000 2.374 474 V HA -0.066 4.060 4.120 0.010 0.000 0.241 474 V C 2.201 177.819 176.094 -0.793 0.000 1.034 474 V CA 1.483 63.336 62.300 -0.745 0.000 1.037 474 V CB -0.539 30.638 31.823 -1.077 0.000 0.682 474 V HN 0.490 nan 8.190 nan 0.000 0.463 475 L N 0.473 121.267 121.223 -0.715 0.000 2.027 475 L HA -0.085 4.260 4.340 0.010 0.000 0.206 475 L C 2.734 179.241 176.870 -0.605 0.000 1.074 475 L CA 1.704 56.093 54.840 -0.751 0.000 0.745 475 L CB -0.869 40.535 42.059 -1.091 0.000 0.898 475 L HN 0.338 nan 8.230 nan 0.000 0.433 476 A N 0.408 122.905 122.820 -0.539 0.000 1.930 476 A HA -0.070 4.256 4.320 0.010 0.000 0.217 476 A C 2.406 179.743 177.584 -0.411 0.000 1.175 476 A CA 1.499 53.333 52.037 -0.338 0.000 0.627 476 A CB -1.230 17.575 19.000 -0.325 0.000 0.815 476 A HN 0.439 nan 8.150 nan 0.000 0.443 477 G N 0.170 108.558 108.800 -0.686 0.000 2.491 477 G HA2 -0.233 3.732 3.960 0.010 0.000 0.218 477 G HA3 -0.233 3.732 3.960 0.010 0.000 0.218 477 G C 1.487 175.559 174.900 -1.380 0.000 1.180 477 G CA 1.170 45.466 45.100 -1.340 0.000 0.774 477 G HN 0.448 nan 8.290 nan 0.000 0.562 478 L N 0.168 120.734 121.223 -1.095 0.000 2.275 478 L HA 0.191 4.537 4.340 0.010 0.000 0.215 478 L C 2.212 178.909 176.870 -0.289 0.000 1.119 478 L CA 0.784 55.290 54.840 -0.557 0.000 0.790 478 L CB -0.021 41.816 42.059 -0.370 0.000 0.919 478 L HN 0.503 nan 8.230 nan 0.000 0.443 479 G N -0.063 108.572 108.800 -0.276 0.000 2.192 479 G HA2 -0.223 3.743 3.960 0.010 0.000 0.193 479 G HA3 -0.223 3.743 3.960 0.010 0.000 0.193 479 G C -0.204 174.639 174.900 -0.095 0.000 0.999 479 G CA -0.268 44.760 45.100 -0.119 0.000 0.659 479 G HN 0.107 nan 8.290 nan 0.000 0.503 480 L N 2.204 123.314 121.223 -0.188 0.000 2.281 480 L HA 0.737 5.083 4.340 0.010 0.000 0.285 480 L C 0.510 177.305 176.870 -0.124 0.000 1.074 480 L CA -0.500 54.219 54.840 -0.202 0.000 0.817 480 L CB 1.410 43.180 42.059 -0.482 0.000 1.168 480 L HN 0.733 nan 8.230 nan 0.000 0.434 481 V N 2.925 122.768 119.914 -0.119 0.000 3.102 481 V HA 0.786 4.911 4.120 0.010 0.000 0.312 481 V C -2.628 173.095 176.094 -0.619 0.000 1.135 481 V CA -2.285 59.794 62.300 -0.368 0.000 1.022 481 V CB 1.384 33.062 31.823 -0.241 0.000 1.056 481 V HN 0.641 nan 8.190 nan 0.000 0.436 482 P HA 0.262 nan 4.420 nan 0.000 0.271 482 P C -0.141 176.937 177.300 -0.370 0.000 1.233 482 P CA 0.019 62.608 63.100 -0.852 0.000 0.789 482 P CB 0.472 31.591 31.700 -0.969 0.000 0.951 483 D N -0.416 119.871 120.400 -0.190 0.000 2.144 483 D HA 0.025 4.671 4.640 0.010 0.000 0.199 483 D C 0.697 177.016 176.300 0.031 0.000 0.984 483 D CA 1.488 55.471 54.000 -0.028 0.000 0.834 483 D CB -0.050 40.727 40.800 -0.039 0.000 0.955 483 D HN 0.429 nan 8.370 nan 0.000 0.465 484 A N -0.602 122.164 122.820 -0.090 0.000 2.609 484 A HA 0.574 4.900 4.320 0.010 0.000 0.291 484 A C -2.730 174.730 177.584 -0.208 0.000 1.096 484 A CA -1.268 50.552 52.037 -0.361 0.000 0.684 484 A CB 0.947 19.767 19.000 -0.301 0.000 1.282 484 A HN -0.219 nan 8.150 nan 0.000 0.412 485 P HA 0.108 nan 4.420 nan 0.000 0.268 485 P C 0.158 177.380 177.300 -0.129 0.000 1.208 485 P CA 0.188 63.178 63.100 -0.185 0.000 0.777 485 P CB 0.478 31.991 31.700 -0.312 0.000 0.875 486 S N 3.096 118.747 115.700 -0.081 0.000 2.596 486 S HA 0.021 4.497 4.470 0.010 0.000 0.298 486 S C -1.257 173.317 174.600 -0.044 0.000 1.255 486 S CA -0.796 57.370 58.200 -0.056 0.000 1.083 486 S CB -0.551 62.662 63.200 0.021 0.000 0.837 486 S HN 0.254 nan 8.310 nan 0.000 0.499 487 P HA -0.120 nan 4.420 nan 0.000 0.216 487 P C 1.380 178.732 177.300 0.086 0.000 1.150 487 P CA 1.130 64.237 63.100 0.012 0.000 0.843 487 P CB 0.089 31.806 31.700 0.029 0.000 0.787 488 R N -0.652 119.894 120.500 0.077 0.000 2.133 488 R HA -0.144 4.202 4.340 0.010 0.000 0.247 488 R C 2.214 178.560 176.300 0.075 0.000 1.151 488 R CA 1.250 57.410 56.100 0.101 0.000 0.971 488 R CB -1.004 29.315 30.300 0.031 0.000 0.866 488 R HN 0.257 nan 8.270 nan 0.000 0.447 489 L N -0.417 120.797 121.223 -0.016 0.000 2.201 489 L HA -0.107 4.239 4.340 0.010 0.000 0.212 489 L C 2.436 179.279 176.870 -0.046 0.000 1.105 489 L CA 0.922 55.725 54.840 -0.061 0.000 0.775 489 L CB -0.464 41.514 42.059 -0.136 0.000 0.913 489 L HN 0.243 nan 8.230 nan 0.000 0.440 490 A N -1.359 121.404 122.820 -0.095 0.000 2.172 490 A HA -0.146 4.180 4.320 0.010 0.000 0.216 490 A C 1.699 179.098 177.584 -0.307 0.000 1.154 490 A CA 0.924 52.842 52.037 -0.199 0.000 0.701 490 A CB -0.570 18.270 19.000 -0.265 0.000 0.789 490 A HN 0.456 nan 8.150 nan 0.000 0.465 491 H N -1.628 117.431 119.070 -0.018 0.000 2.549 491 H HA 0.312 4.874 4.556 0.010 0.000 0.279 491 H C -0.133 175.193 175.328 -0.004 0.000 1.018 491 H CA 0.221 56.262 56.048 -0.011 0.000 1.175 491 H CB 0.186 29.939 29.762 -0.016 0.000 1.485 491 H HN 0.467 nan 8.280 nan 0.000 0.543 492 M N 1.755 121.402 119.600 0.078 0.000 2.944 492 M HA 0.183 4.669 4.480 0.010 0.000 0.235 492 M C -1.891 174.453 176.300 0.073 0.000 1.188 492 M CA -1.495 53.849 55.300 0.073 0.000 0.688 492 M CB 1.694 34.339 32.600 0.076 0.000 1.406 492 M HN -0.122 nan 8.290 nan 0.000 0.479 493 P HA -0.186 nan 4.420 nan 0.000 0.216 493 P C 1.052 178.395 177.300 0.070 0.000 1.150 493 P CA 1.527 64.657 63.100 0.050 0.000 0.837 493 P CB 0.252 31.968 31.700 0.027 0.000 0.786 494 Q N -0.521 119.315 119.800 0.061 0.000 2.119 494 Q HA -0.068 4.278 4.340 0.010 0.000 0.201 494 Q C 2.363 178.420 176.000 0.095 0.000 0.972 494 Q CA 1.555 57.395 55.803 0.062 0.000 0.847 494 Q CB -0.505 28.255 28.738 0.037 0.000 0.903 494 Q HN 0.197 nan 8.270 nan 0.000 0.433 495 A N 0.472 123.358 122.820 0.111 0.000 1.930 495 A HA -0.148 4.178 4.320 0.010 0.000 0.217 495 A C 2.185 179.979 177.584 0.349 0.000 1.175 495 A CA 1.743 53.880 52.037 0.166 0.000 0.627 495 A CB -0.665 18.434 19.000 0.165 0.000 0.815 495 A HN 0.503 nan 8.150 nan 0.000 0.443 496 T N -3.000 111.744 114.554 0.317 0.000 3.067 496 T HA 0.024 4.380 4.350 0.010 0.000 0.261 496 T C 1.500 176.328 174.700 0.214 0.000 1.110 496 T CA 0.971 63.279 62.100 0.348 0.000 1.113 496 T CB 0.025 69.041 68.868 0.247 0.000 0.917 496 T HN 0.338 nan 8.240 nan 0.000 0.499 497 E N 2.380 122.673 120.200 0.155 0.000 2.028 497 E HA -0.056 4.300 4.350 0.010 0.000 0.190 497 E C 2.678 179.336 176.600 0.096 0.000 0.984 497 E CA 1.576 58.040 56.400 0.105 0.000 0.800 497 E CB -0.457 29.288 29.700 0.076 0.000 0.758 497 E HN 0.721 nan 8.360 nan 0.000 0.448 498 S N 0.606 116.381 115.700 0.124 0.000 2.515 498 S HA -0.046 4.430 4.470 0.010 0.000 0.231 498 S C 2.083 176.655 174.600 -0.046 0.000 0.987 498 S CA 0.713 58.971 58.200 0.097 0.000 0.936 498 S CB -0.163 63.135 63.200 0.162 0.000 0.766 498 S HN 0.057 nan 8.310 nan 0.000 0.528 499 V N 2.323 122.180 119.914 -0.094 0.000 2.594 499 V HA -0.180 3.946 4.120 0.010 0.000 0.253 499 V C 2.323 178.259 176.094 -0.263 0.000 1.069 499 V CA 2.339 64.327 62.300 -0.520 0.000 1.082 499 V CB -0.789 30.773 31.823 -0.435 0.000 0.680 499 V HN 0.486 nan 8.190 nan 0.000 0.469 500 D N 0.760 121.158 120.400 -0.003 0.000 2.123 500 D HA -0.238 4.407 4.640 0.010 0.000 0.196 500 D C 2.143 178.462 176.300 0.031 0.000 0.992 500 D CA 1.844 55.912 54.000 0.114 0.000 0.833 500 D CB -0.224 40.627 40.800 0.085 0.000 0.954 500 D HN 0.848 nan 8.370 nan 0.000 0.455 501 E N -0.349 119.814 120.200 -0.063 0.000 2.478 501 E HA -0.061 4.295 4.350 0.010 0.000 0.198 501 E C 1.840 178.352 176.600 -0.148 0.000 1.046 501 E CA 0.360 56.715 56.400 -0.075 0.000 0.870 501 E CB 0.138 29.803 29.700 -0.058 0.000 0.818 501 E HN 0.155 nan 8.360 nan 0.000 0.527 502 V N 0.315 120.053 119.914 -0.292 0.000 2.500 502 V HA -0.132 3.994 4.120 0.010 0.000 0.243 502 V C 1.769 177.667 176.094 -0.326 0.000 1.039 502 V CA 1.119 63.179 62.300 -0.400 0.000 1.053 502 V CB -0.544 30.860 31.823 -0.698 0.000 0.695 502 V HN 0.172 nan 8.190 nan 0.000 0.463 503 F N 1.741 121.608 119.950 -0.137 0.000 2.134 503 F HA -0.038 4.495 4.527 0.010 0.000 0.299 503 F C 2.437 178.207 175.800 -0.051 0.000 1.097 503 F CA 1.484 59.443 58.000 -0.069 0.000 1.264 503 F CB -1.400 37.589 39.000 -0.020 0.000 1.001 503 F HN 0.198 nan 8.300 nan 0.000 0.479 504 G N -0.389 108.482 108.800 0.120 0.000 2.440 504 G HA2 -0.237 3.729 3.960 0.010 0.000 0.218 504 G HA3 -0.237 3.729 3.960 0.010 0.000 0.218 504 G C 1.912 176.823 174.900 0.018 0.000 1.154 504 G CA 0.957 46.092 45.100 0.058 0.000 0.767 504 G HN 0.469 nan 8.290 nan 0.000 0.552 505 A N -0.114 122.692 122.820 -0.024 0.000 1.972 505 A HA 0.130 4.456 4.320 0.010 0.000 0.219 505 A C 2.597 180.161 177.584 -0.033 0.000 1.169 505 A CA 1.744 53.757 52.037 -0.040 0.000 0.635 505 A CB -0.450 18.505 19.000 -0.075 0.000 0.810 505 A HN 0.262 nan 8.150 nan 0.000 0.446 506 V N 0.363 120.260 119.914 -0.029 0.000 2.270 506 V HA -0.220 3.906 4.120 0.010 0.000 0.245 506 V C 2.502 178.607 176.094 0.018 0.000 1.043 506 V CA 2.023 64.313 62.300 -0.016 0.000 1.014 506 V CB -0.575 31.243 31.823 -0.008 0.000 0.645 506 V HN 0.418 nan 8.190 nan 0.000 0.447 507 K N 0.083 120.513 120.400 0.050 0.000 2.089 507 K HA -0.232 4.094 4.320 0.010 0.000 0.210 507 K C 1.858 178.476 176.600 0.030 0.000 1.048 507 K CA 1.879 58.197 56.287 0.052 0.000 0.926 507 K CB -0.699 31.839 32.500 0.062 0.000 0.714 507 K HN 0.501 nan 8.250 nan 0.000 0.448 508 D N 0.266 120.676 120.400 0.017 0.000 2.078 508 D HA -0.124 4.522 4.640 0.010 0.000 0.193 508 D C 2.085 178.386 176.300 0.001 0.000 0.990 508 D CA 1.057 55.062 54.000 0.007 0.000 0.827 508 D CB -0.173 40.627 40.800 -0.001 0.000 0.975 508 D HN 0.190 nan 8.370 nan 0.000 0.451 509 R N 0.564 121.059 120.500 -0.008 0.000 2.096 509 R HA -0.102 4.244 4.340 0.010 0.000 0.235 509 R C 2.361 178.653 176.300 -0.012 0.000 1.127 509 R CA 0.840 56.931 56.100 -0.015 0.000 0.968 509 R CB -0.314 29.970 30.300 -0.026 0.000 0.861 509 R HN 0.412 nan 8.270 nan 0.000 0.440 510 Q N 0.323 120.120 119.800 -0.004 0.000 2.002 510 Q HA -0.183 4.163 4.340 0.010 0.000 0.204 510 Q C 2.302 178.307 176.000 0.008 0.000 0.988 510 Q CA 1.509 57.312 55.803 0.001 0.000 0.843 510 Q CB -0.220 28.533 28.738 0.024 0.000 0.908 510 Q HN 0.265 nan 8.270 nan 0.000 0.420 511 R N 0.670 121.180 120.500 0.017 0.000 2.083 511 R HA -0.165 4.181 4.340 0.010 0.000 0.237 511 R C 2.166 178.472 176.300 0.010 0.000 1.137 511 R CA 1.488 57.599 56.100 0.019 0.000 0.951 511 R CB -0.233 30.079 30.300 0.021 0.000 0.851 511 R HN 0.291 nan 8.270 nan 0.000 0.434 512 N N 0.784 119.486 118.700 0.004 0.000 2.120 512 N HA -0.159 4.587 4.740 0.010 0.000 0.188 512 N C 1.842 177.348 175.510 -0.006 0.000 1.024 512 N CA 1.336 54.386 53.050 -0.001 0.000 0.852 512 N CB -0.037 38.447 38.487 -0.004 0.000 1.003 512 N HN 0.261 nan 8.380 nan 0.000 0.424 513 L N 0.418 121.634 121.223 -0.012 0.000 2.179 513 L HA -0.081 4.265 4.340 0.010 0.000 0.208 513 L C 2.445 179.306 176.870 -0.015 0.000 1.096 513 L CA 0.232 55.060 54.840 -0.021 0.000 0.779 513 L CB -0.350 41.688 42.059 -0.035 0.000 0.922 513 L HN 0.152 nan 8.230 nan 0.000 0.443 514 L N 0.165 121.384 121.223 -0.005 0.000 2.079 514 L HA -0.222 4.123 4.340 0.010 0.000 0.210 514 L C 2.270 179.147 176.870 0.011 0.000 1.081 514 L CA 1.873 56.716 54.840 0.006 0.000 0.752 514 L CB -0.328 41.742 42.059 0.019 0.000 0.896 514 L HN 0.239 nan 8.230 nan 0.000 0.433 515 E N -1.673 118.532 120.200 0.009 0.000 2.250 515 E HA -0.073 4.283 4.350 0.010 0.000 0.192 515 E C 1.688 178.293 176.600 0.008 0.000 0.986 515 E CA 1.180 57.587 56.400 0.011 0.000 0.849 515 E CB 0.017 29.723 29.700 0.011 0.000 0.797 515 E HN 0.676 nan 8.360 nan 0.000 0.482 516 T N -1.620 112.935 114.554 0.001 0.000 3.040 516 T HA 0.228 4.584 4.350 0.010 0.000 0.250 516 T C 0.717 175.414 174.700 -0.005 0.000 1.058 516 T CA -0.253 61.846 62.100 -0.001 0.000 0.988 516 T CB 0.109 68.975 68.868 -0.005 0.000 0.993 516 T HN -0.114 nan 8.240 nan 0.000 0.519 517 L N 3.341 124.558 121.223 -0.010 0.000 2.312 517 L HA 0.458 4.804 4.340 0.010 0.000 0.281 517 L C -2.049 174.821 176.870 -0.001 0.000 1.070 517 L CA -2.571 52.256 54.840 -0.021 0.000 0.805 517 L CB 1.114 43.147 42.059 -0.043 0.000 1.174 517 L HN 0.056 nan 8.230 nan 0.000 0.434 518 P HA 0.057 nan 4.420 nan 0.000 0.272 518 P C -0.522 176.801 177.300 0.037 0.000 1.223 518 P CA -0.463 62.658 63.100 0.035 0.000 0.784 518 P CB 0.868 32.609 31.700 0.069 0.000 0.923 519 S N 1.608 117.345 115.700 0.063 0.000 2.573 519 S HA -0.042 4.434 4.470 0.010 0.000 0.277 519 S C 1.320 175.983 174.600 0.106 0.000 1.346 519 S CA -0.528 57.722 58.200 0.084 0.000 1.034 519 S CB -0.043 63.228 63.200 0.118 0.000 0.879 519 S HN 0.412 nan 8.310 nan 0.000 0.528 520 L N 1.674 122.958 121.223 0.102 0.000 2.042 520 L HA -0.082 4.264 4.340 0.010 0.000 0.210 520 L C 2.373 179.368 176.870 0.210 0.000 1.076 520 L CA 2.572 57.496 54.840 0.140 0.000 0.749 520 L CB -1.505 40.618 42.059 0.106 0.000 0.893 520 L HN 1.057 nan 8.230 nan 0.000 0.432 521 H N 0.071 119.196 119.070 0.092 0.000 2.289 521 H HA -0.224 4.339 4.556 0.011 0.000 0.294 521 H C 2.130 177.507 175.328 0.082 0.000 1.095 521 H CA 2.483 58.580 56.048 0.082 0.000 1.256 521 H CB -0.170 29.632 29.762 0.067 0.000 1.359 521 H HN 0.540 nan 8.280 nan 0.000 0.487 522 E N -1.025 119.168 120.200 -0.012 0.000 2.070 522 E HA -0.218 4.138 4.350 0.010 0.000 0.197 522 E C 2.100 178.680 176.600 -0.032 0.000 1.004 522 E CA 1.386 57.744 56.400 -0.069 0.000 0.805 522 E CB -0.370 29.347 29.700 0.028 0.000 0.744 522 E HN 0.473 nan 8.360 nan 0.000 0.451 523 F N 1.052 120.967 119.950 -0.058 0.000 2.146 523 F HA -0.151 4.380 4.527 0.006 0.000 0.298 523 F C 1.923 177.710 175.800 -0.021 0.000 1.096 523 F CA 1.175 59.152 58.000 -0.039 0.000 1.275 523 F CB -0.068 38.908 39.000 -0.039 0.000 1.008 523 F HN -0.077 nan 8.300 nan 0.000 0.480 524 L N 0.066 121.330 121.223 0.070 0.000 2.042 524 L HA -0.239 4.107 4.340 0.010 0.000 0.210 524 L C 2.616 179.392 176.870 -0.157 0.000 1.076 524 L CA 1.496 56.323 54.840 -0.023 0.000 0.749 524 L CB -0.699 41.406 42.059 0.076 0.000 0.893 524 L HN 0.039 nan 8.230 nan 0.000 0.432 525 R N -0.458 119.921 120.500 -0.201 0.000 2.117 525 R HA -0.183 4.163 4.340 0.010 0.000 0.243 525 R C 1.477 177.657 176.300 -0.199 0.000 1.143 525 R CA 1.005 56.980 56.100 -0.208 0.000 0.968 525 R CB -0.320 29.813 30.300 -0.278 0.000 0.863 525 R HN 0.458 nan 8.270 nan 0.000 0.444 526 Q N 0.000 119.642 119.800 -0.264 0.000 2.315 526 Q HA 0.000 4.346 4.340 0.010 0.000 0.214 526 Q CA 0.000 55.627 55.803 -0.293 0.000 1.022 526 Q CB 0.000 28.527 28.738 -0.352 0.000 1.108 526 Q HN 0.000 nan 8.270 nan 0.000 0.481