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 3d47_1_C DATA FIRST_RESID 1 DATA SEQUENCE MENIMTLPKI KHVRAWFIGG ATAEKGAGGG DYHDQGGNHW IDDHIATPMS DATA SEQUENCE KYRDYEQSRQ SFGINVLGTL IVEVEAENRQ TGFAVSTAGE MGCFIVEKHL DATA SEQUENCE NRFIEGKCVS DIKLIHDQML GATMYYSGSG GLVMNTISCV DLALWDLFGK DATA SEQUENCE VVGLPVYKLL GGAVRDEIQF YATGARPDLA KEMGFIGGKM PTHWGPHDGD DATA SEQUENCE AGIRKDAAMV ADMREKCGPD FWLMLDCWMS QDVNYATKLA HACAPFNLKW DATA SEQUENCE IEECLPPQQY EGYRELKRNA PAGMMVTSGE HHGTLQSFRT LAETGIDIMQ DATA SEQUENCE PDVGWCGGLT TLVEIAALAK SRGQLVVPHG SSVYSHHAVI TFTNTPFSEF DATA SEQUENCE LMTSPDCSTL RPQFDPILLD EPVPVNGRIH KSVLDKPGFG VELNRDCHLK DATA SEQUENCE RPYSH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 E N 2.036 122.239 120.200 0.005 0.000 2.409 2 E HA 0.200 4.550 4.350 -0.000 0.000 0.257 2 E C -0.447 176.157 176.600 0.006 0.000 1.150 2 E CA -0.546 55.857 56.400 0.005 0.000 0.942 2 E CB 0.531 30.234 29.700 0.004 0.000 0.979 2 E HN 0.412 nan 8.360 nan 0.000 0.447 3 N N 1.594 120.298 118.700 0.007 0.000 2.508 3 N HA 0.122 4.862 4.740 -0.000 0.000 0.264 3 N C 0.256 175.772 175.510 0.010 0.000 1.216 3 N CA -0.191 52.864 53.050 0.008 0.000 0.943 3 N CB 0.519 39.011 38.487 0.008 0.000 1.113 3 N HN 0.427 nan 8.380 nan 0.000 0.447 4 I N -1.332 119.246 120.570 0.013 0.000 2.938 4 I HA 0.129 4.299 4.170 -0.000 0.000 0.285 4 I C 1.035 177.162 176.117 0.017 0.000 1.182 4 I CA -0.915 60.395 61.300 0.017 0.000 1.388 4 I CB 0.366 38.380 38.000 0.023 0.000 1.390 4 I HN 0.443 nan 8.210 nan 0.000 0.600 5 M N 3.816 123.426 119.600 0.018 0.000 2.249 5 M HA 0.253 4.733 4.480 -0.000 0.000 0.340 5 M C 0.196 176.511 176.300 0.026 0.000 1.166 5 M CA -0.120 55.190 55.300 0.017 0.000 1.115 5 M CB 0.374 32.980 32.600 0.011 0.000 1.606 5 M HN 0.787 nan 8.290 nan 0.000 0.448 6 T N 2.873 117.440 114.554 0.022 0.000 2.884 6 T HA 0.546 4.896 4.350 -0.000 0.000 0.298 6 T C -0.283 174.438 174.700 0.035 0.000 0.998 6 T CA -0.776 61.339 62.100 0.025 0.000 1.124 6 T CB 0.659 69.538 68.868 0.018 0.000 0.931 6 T HN 0.703 nan 8.240 nan 0.000 0.531 7 L N 4.754 126.002 121.223 0.041 0.000 2.329 7 L HA 0.540 4.880 4.340 -0.000 0.000 0.279 7 L C -1.669 175.223 176.870 0.037 0.000 1.014 7 L CA -2.354 52.520 54.840 0.057 0.000 0.814 7 L CB 2.062 44.173 42.059 0.088 0.000 1.257 7 L HN 0.628 nan 8.230 nan 0.000 0.424 8 P HA 0.281 nan 4.420 nan 0.000 0.276 8 P C -1.210 176.097 177.300 0.012 0.000 1.261 8 P CA -0.658 62.456 63.100 0.023 0.000 0.800 8 P CB 1.160 32.878 31.700 0.029 0.000 1.066 9 K N 0.519 120.918 120.400 -0.002 0.000 2.106 9 K HA 0.464 4.784 4.320 -0.000 0.000 0.246 9 K C 0.319 176.909 176.600 -0.016 0.000 0.987 9 K CA -0.943 55.335 56.287 -0.015 0.000 0.904 9 K CB 0.796 33.283 32.500 -0.023 0.000 1.071 9 K HN 0.453 nan 8.250 nan 0.000 0.453 10 I N 2.221 122.779 120.570 -0.021 0.000 2.396 10 I HA 0.029 4.199 4.170 -0.000 0.000 0.289 10 I C 1.674 177.758 176.117 -0.055 0.000 1.056 10 I CA 0.164 61.455 61.300 -0.014 0.000 1.365 10 I CB 0.866 38.866 38.000 0.001 0.000 1.407 10 I HN 0.560 nan 8.210 nan 0.000 0.509 11 K N 5.246 125.589 120.400 -0.094 0.000 2.141 11 K HA 0.106 4.426 4.320 -0.000 0.000 0.202 11 K C 0.214 176.550 176.600 -0.440 0.000 1.045 11 K CA 0.762 56.875 56.287 -0.290 0.000 0.971 11 K CB 0.432 32.735 32.500 -0.327 0.000 0.795 11 K HN 0.554 nan 8.250 nan 0.000 0.459 12 H N -1.102 117.998 119.070 0.049 0.000 2.961 12 H HA 0.354 4.910 4.556 -0.000 0.000 0.371 12 H C -1.591 173.786 175.328 0.081 0.000 1.190 12 H CA -0.805 55.278 56.048 0.057 0.000 1.138 12 H CB 1.909 31.687 29.762 0.027 0.000 1.816 12 H HN -0.080 nan 8.280 nan 0.000 0.551 13 V N 2.481 122.546 119.914 0.253 0.000 2.638 13 V HA 0.543 4.663 4.120 -0.000 0.000 0.306 13 V C -0.974 175.194 176.094 0.123 0.000 1.052 13 V CA -0.488 61.908 62.300 0.160 0.000 0.885 13 V CB 1.829 33.718 31.823 0.110 0.000 0.999 13 V HN 0.699 nan 8.190 nan 0.000 0.424 14 R N 4.254 124.744 120.500 -0.016 0.000 2.795 14 R HA 0.899 5.239 4.340 -0.000 0.000 0.275 14 R C -1.121 174.956 176.300 -0.372 0.000 0.981 14 R CA -0.572 55.358 56.100 -0.284 0.000 0.917 14 R CB 2.350 32.289 30.300 -0.602 0.000 1.202 14 R HN 0.824 nan 8.270 nan 0.000 0.469 15 A N 2.011 124.554 122.820 -0.461 0.000 2.393 15 A HA 0.740 5.060 4.320 -0.000 0.000 0.306 15 A C -1.494 175.917 177.584 -0.287 0.000 1.050 15 A CA -0.629 51.281 52.037 -0.211 0.000 0.724 15 A CB 1.283 20.288 19.000 0.009 0.000 1.248 15 A HN 0.580 nan 8.150 nan 0.000 0.424 16 W N 0.628 122.019 121.300 0.152 0.000 3.017 16 W HA 0.714 5.374 4.660 -0.000 0.000 0.341 16 W C -0.965 175.676 176.519 0.203 0.000 1.180 16 W CA -0.513 56.898 57.345 0.109 0.000 1.097 16 W CB 1.995 31.460 29.460 0.008 0.000 1.468 16 W HN 0.813 nan 8.180 nan 0.000 0.584 17 F N 0.664 120.799 119.950 0.307 0.000 2.668 17 F HA 0.793 5.320 4.527 -0.000 0.000 0.309 17 F C -1.305 174.573 175.800 0.130 0.000 1.117 17 F CA -1.594 56.512 58.000 0.177 0.000 0.951 17 F CB 0.861 39.942 39.000 0.135 0.000 1.323 17 F HN 0.233 nan 8.300 nan 0.000 0.451 18 I N -0.223 120.504 120.570 0.261 0.000 2.994 18 I HA 0.963 5.132 4.170 -0.000 0.000 0.306 18 I C 0.132 176.409 176.117 0.268 0.000 1.195 18 I CA -0.801 60.576 61.300 0.128 0.000 1.001 18 I CB 1.741 39.762 38.000 0.035 0.000 1.244 18 I HN 1.520 nan 8.210 nan 0.000 0.437 19 G N 2.027 110.951 108.800 0.206 0.000 2.698 19 G HA2 0.368 4.328 3.960 -0.000 0.000 0.233 19 G HA3 0.368 4.328 3.960 -0.000 0.000 0.233 19 G C 0.311 175.336 174.900 0.208 0.000 1.352 19 G CA 0.088 45.289 45.100 0.168 0.000 0.879 19 G HN 2.882 nan 8.290 nan 0.000 0.567 20 G N -2.661 106.205 108.800 0.110 0.000 2.796 20 G HA2 0.381 4.341 3.960 -0.000 0.000 0.571 20 G HA3 0.381 4.341 3.960 -0.000 0.000 0.571 20 G C 1.195 176.122 174.900 0.044 0.000 1.370 20 G CA 1.279 46.412 45.100 0.055 0.000 0.856 20 G HN 2.490 nan 8.290 nan 0.000 0.538 21 A N -1.066 121.753 122.820 -0.001 0.000 2.121 21 A HA 0.298 4.618 4.320 -0.000 0.000 0.218 21 A C 2.311 179.907 177.584 0.019 0.000 1.154 21 A CA 2.873 54.910 52.037 0.001 0.000 0.679 21 A CB -0.525 18.463 19.000 -0.021 0.000 0.795 21 A HN 2.339 nan 8.150 nan 0.000 0.458 22 T N -4.450 110.121 114.554 0.027 0.000 3.134 22 T HA 0.698 5.048 4.350 -0.000 0.000 0.260 22 T C 0.438 175.270 174.700 0.219 0.000 1.027 22 T CA 0.523 62.672 62.100 0.081 0.000 0.913 22 T CB 0.174 69.053 68.868 0.019 0.000 1.046 22 T HN 0.624 nan 8.240 nan 0.000 0.553 23 A N 0.935 123.890 122.820 0.224 0.000 4.238 23 A HA 0.726 5.046 4.320 -0.000 0.000 0.196 23 A C -1.122 176.538 177.584 0.127 0.000 0.732 23 A CA -0.778 51.396 52.037 0.228 0.000 0.721 23 A CB 0.485 19.710 19.000 0.375 0.000 1.642 23 A HN 0.311 nan 8.150 nan 0.000 0.861 24 E N 1.375 121.645 120.200 0.115 0.000 2.089 24 E HA 0.229 4.579 4.350 -0.000 0.000 0.284 24 E C -0.486 176.158 176.600 0.073 0.000 1.023 24 E CA -0.569 55.880 56.400 0.082 0.000 0.819 24 E CB 0.547 30.300 29.700 0.089 0.000 1.076 24 E HN 0.384 nan 8.360 nan 0.000 0.396 25 K N 3.082 123.513 120.400 0.053 0.000 2.451 25 K HA 0.027 4.346 4.320 -0.000 0.000 0.280 25 K C 0.421 177.040 176.600 0.032 0.000 1.020 25 K CA 1.217 57.525 56.287 0.036 0.000 1.008 25 K CB 0.556 33.068 32.500 0.021 0.000 0.917 25 K HN 0.821 nan 8.250 nan 0.000 0.478 26 G N 2.758 111.572 108.800 0.024 0.000 2.131 26 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.223 26 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.223 26 G C 0.719 175.638 174.900 0.033 0.000 0.990 26 G CA 0.485 45.597 45.100 0.021 0.000 0.671 26 G HN 0.775 nan 8.290 nan 0.000 0.521 27 A N -0.368 122.476 122.820 0.040 0.000 2.172 27 A HA 0.488 4.808 4.320 -0.000 0.000 0.216 27 A C 2.896 180.501 177.584 0.034 0.000 1.154 27 A CA 2.004 54.065 52.037 0.041 0.000 0.701 27 A CB -0.596 18.436 19.000 0.054 0.000 0.789 27 A HN 2.629 nan 8.150 nan 0.000 0.465 28 G N -1.085 107.733 108.800 0.029 0.000 2.596 28 G HA2 0.086 4.046 3.960 -0.000 0.000 0.304 28 G HA3 0.086 4.046 3.960 -0.000 0.000 0.304 28 G C 1.563 176.475 174.900 0.021 0.000 1.189 28 G CA 1.193 46.312 45.100 0.032 0.000 0.986 28 G HN 2.351 nan 8.290 nan 0.000 0.548 29 G N -1.393 107.434 108.800 0.044 0.000 2.566 29 G HA2 0.162 4.122 3.960 -0.000 0.000 0.280 29 G HA3 0.162 4.122 3.960 -0.000 0.000 0.280 29 G C 1.932 176.747 174.900 -0.142 0.000 1.225 29 G CA 2.100 47.198 45.100 -0.004 0.000 0.966 29 G HN 2.418 nan 8.290 nan 0.000 0.560 30 G N -0.126 108.459 108.800 -0.358 0.000 2.448 30 G HA2 0.084 4.044 3.960 -0.000 0.000 0.219 30 G HA3 0.084 4.044 3.960 -0.000 0.000 0.219 30 G C 0.742 175.390 174.900 -0.421 0.000 1.127 30 G CA 1.547 46.250 45.100 -0.662 0.000 0.766 30 G HN 0.883 nan 8.290 nan 0.000 0.552 31 D N -0.384 119.906 120.400 -0.184 0.000 2.468 31 D HA 0.221 4.861 4.640 -0.000 0.000 0.218 31 D C 0.959 177.222 176.300 -0.062 0.000 1.155 31 D CA -0.912 53.055 54.000 -0.056 0.000 0.924 31 D CB 0.089 40.913 40.800 0.040 0.000 1.029 31 D HN 0.317 nan 8.370 nan 0.000 0.515 32 Y N 1.536 121.891 120.300 0.092 0.000 2.228 32 Y HA -0.225 4.325 4.550 -0.000 0.000 0.285 32 Y C 1.756 177.495 175.900 -0.269 0.000 1.178 32 Y CA 1.421 59.466 58.100 -0.091 0.000 1.202 32 Y CB -0.589 37.769 38.460 -0.170 0.000 0.974 32 Y HN 0.616 nan 8.280 nan 0.000 0.527 33 H N -1.835 117.334 119.070 0.164 0.000 2.539 33 H HA 0.031 4.586 4.556 -0.000 0.000 0.267 33 H C 0.349 175.616 175.328 -0.102 0.000 0.982 33 H CA 0.376 56.397 56.048 -0.046 0.000 1.146 33 H CB 0.097 29.830 29.762 -0.049 0.000 1.382 33 H HN 0.096 nan 8.280 nan 0.000 0.577 34 D N 1.635 122.050 120.400 0.024 0.000 2.845 34 D HA 0.018 4.657 4.640 -0.000 0.000 0.235 34 D C -0.229 176.048 176.300 -0.038 0.000 1.158 34 D CA -0.197 53.800 54.000 -0.004 0.000 0.990 34 D CB -0.093 40.720 40.800 0.023 0.000 1.094 34 D HN 0.183 nan 8.370 nan 0.000 0.486 35 Q N -0.122 119.618 119.800 -0.101 0.000 2.252 35 Q HA 0.589 4.929 4.340 -0.000 0.000 0.256 35 Q C 0.745 176.708 176.000 -0.060 0.000 1.020 35 Q CA -0.967 54.763 55.803 -0.122 0.000 0.913 35 Q CB 0.948 29.460 28.738 -0.376 0.000 1.286 35 Q HN 0.328 nan 8.270 nan 0.000 0.480 36 G N -0.839 107.962 108.800 0.002 0.000 2.553 36 G HA2 0.466 4.426 3.960 -0.000 0.000 0.278 36 G HA3 0.466 4.426 3.960 -0.000 0.000 0.278 36 G C 0.043 174.958 174.900 0.024 0.000 1.349 36 G CA 0.020 45.135 45.100 0.025 0.000 1.037 36 G HN 0.480 nan 8.290 nan 0.000 0.508 37 G N -1.722 107.097 108.800 0.032 0.000 2.543 37 G HA2 0.379 4.339 3.960 -0.000 0.000 0.290 37 G HA3 0.379 4.339 3.960 -0.000 0.000 0.290 37 G C 0.108 175.051 174.900 0.071 0.000 1.310 37 G CA 0.023 45.143 45.100 0.033 0.000 1.025 37 G HN 0.945 nan 8.290 nan 0.000 0.502 38 N N -0.233 118.507 118.700 0.066 0.000 2.738 38 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 38 N C -0.541 175.035 175.510 0.110 0.000 1.047 38 N CA 1.065 54.160 53.050 0.074 0.000 0.707 38 N CB -1.611 36.910 38.487 0.056 0.000 0.937 38 N HN 0.735 nan 8.380 nan 0.000 0.545 39 H N -0.081 118.992 119.070 0.005 0.000 2.679 39 H HA 0.140 4.696 4.556 -0.000 0.000 0.360 39 H C 1.188 176.496 175.328 -0.033 0.000 1.105 39 H CA -0.631 55.411 56.048 -0.010 0.000 1.196 39 H CB 0.776 30.481 29.762 -0.095 0.000 1.636 39 H HN 0.302 nan 8.280 nan 0.000 0.531 40 W N 5.153 126.543 121.300 0.150 0.000 2.331 40 W HA -0.130 4.530 4.660 -0.000 0.000 0.291 40 W C 0.857 177.517 176.519 0.235 0.000 1.214 40 W CA 0.587 58.032 57.345 0.167 0.000 1.228 40 W CB -0.843 28.673 29.460 0.092 0.000 1.135 40 W HN 0.543 nan 8.180 nan 0.000 0.537 41 I N 1.555 121.487 120.570 -1.064 0.000 3.083 41 I HA -0.202 3.968 4.170 -0.000 0.000 0.273 41 I C 0.907 176.695 176.117 -0.549 0.000 1.297 41 I CA 1.868 62.368 61.300 -1.332 0.000 1.452 41 I CB -0.394 36.791 38.000 -1.358 0.000 1.078 41 I HN -0.117 nan 8.210 nan 0.000 0.484 42 D N -0.447 119.782 120.400 -0.284 0.000 2.540 42 D HA 0.016 4.656 4.640 -0.000 0.000 0.229 42 D C -0.154 176.110 176.300 -0.059 0.000 1.250 42 D CA -0.181 53.704 54.000 -0.192 0.000 0.817 42 D CB 0.147 40.842 40.800 -0.175 0.000 1.060 42 D HN 0.038 nan 8.370 nan 0.000 0.508 43 D N 0.007 120.429 120.400 0.037 0.000 2.468 43 D HA 0.101 4.741 4.640 -0.000 0.000 0.218 43 D C -0.319 176.124 176.300 0.239 0.000 1.155 43 D CA -0.126 53.956 54.000 0.136 0.000 0.924 43 D CB -0.592 40.319 40.800 0.185 0.000 1.029 43 D HN 0.268 nan 8.370 nan 0.000 0.515 44 H N 2.451 121.541 119.070 0.033 0.000 2.626 44 H HA -0.182 4.374 4.556 -0.000 0.000 0.317 44 H C -0.375 174.978 175.328 0.041 0.000 1.140 44 H CA -0.010 56.041 56.048 0.004 0.000 1.134 44 H CB -0.865 28.842 29.762 -0.092 0.000 1.486 44 H HN 0.317 nan 8.280 nan 0.000 0.417 45 I N 1.079 121.660 120.570 0.018 0.000 2.441 45 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 45 I C 1.374 177.459 176.117 -0.054 0.000 1.049 45 I CA 0.356 61.615 61.300 -0.069 0.000 1.381 45 I CB 0.568 38.480 38.000 -0.147 0.000 1.409 45 I HN 0.485 nan 8.210 nan 0.000 0.523 46 A N 5.846 128.658 122.820 -0.013 0.000 2.477 46 A HA 0.507 4.827 4.320 -0.000 0.000 0.246 46 A C 0.566 178.252 177.584 0.171 0.000 1.078 46 A CA 0.102 52.183 52.037 0.073 0.000 0.770 46 A CB -0.006 19.057 19.000 0.106 0.000 1.011 46 A HN 0.900 nan 8.150 nan 0.000 0.494 47 T N -0.886 113.778 114.554 0.183 0.000 2.787 47 T HA 0.662 5.012 4.350 -0.000 0.000 0.297 47 T C -2.599 172.169 174.700 0.114 0.000 1.221 47 T CA -0.977 61.290 62.100 0.279 0.000 1.006 47 T CB 1.648 70.715 68.868 0.332 0.000 1.328 47 T HN 0.243 nan 8.240 nan 0.000 0.509 48 P HA 0.048 nan 4.420 nan 0.000 0.228 48 P C 1.097 178.327 177.300 -0.117 0.000 1.151 48 P CA 0.711 63.768 63.100 -0.072 0.000 0.770 48 P CB 0.015 31.633 31.700 -0.136 0.000 0.786 49 M N -0.812 118.704 119.600 -0.140 0.000 2.414 49 M HA 0.053 4.533 4.480 -0.000 0.000 0.251 49 M C 1.752 178.081 176.300 0.048 0.000 1.116 49 M CA 0.716 55.975 55.300 -0.069 0.000 1.056 49 M CB -0.900 31.492 32.600 -0.347 0.000 1.388 49 M HN -0.022 nan 8.290 nan 0.000 0.487 50 S N 1.132 116.837 115.700 0.008 0.000 2.547 50 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 50 S C 1.548 176.005 174.600 -0.239 0.000 0.980 50 S CA 0.693 58.893 58.200 -0.000 0.000 0.941 50 S CB -0.696 62.534 63.200 0.051 0.000 0.763 50 S HN 0.641 nan 8.310 nan 0.000 0.532 51 K N -0.362 119.698 120.400 -0.567 0.000 2.439 51 K HA 0.010 4.330 4.320 -0.000 0.000 0.197 51 K C -0.583 175.643 176.600 -0.623 0.000 1.041 51 K CA 0.278 55.920 56.287 -1.074 0.000 0.970 51 K CB -0.317 31.622 32.500 -0.934 0.000 0.773 51 K HN 0.407 nan 8.250 nan 0.000 0.479 52 Y N 1.620 121.838 120.300 -0.137 0.000 2.341 52 Y HA 0.231 4.781 4.550 -0.000 0.000 0.340 52 Y C 1.328 177.201 175.900 -0.045 0.000 0.997 52 Y CA -1.419 56.662 58.100 -0.032 0.000 1.149 52 Y CB 1.536 40.070 38.460 0.122 0.000 1.171 52 Y HN -0.105 nan 8.280 nan 0.000 0.494 53 R N 1.402 121.953 120.500 0.085 0.000 2.134 53 R HA -0.215 4.125 4.340 -0.000 0.000 0.248 53 R C 1.037 177.302 176.300 -0.058 0.000 1.143 53 R CA 2.410 58.525 56.100 0.024 0.000 0.957 53 R CB -0.280 30.031 30.300 0.020 0.000 0.867 53 R HN 0.735 nan 8.270 nan 0.000 0.441 54 D N -1.279 119.001 120.400 -0.200 0.000 2.309 54 D HA -0.154 4.486 4.640 -0.000 0.000 0.212 54 D C 0.332 176.261 176.300 -0.619 0.000 0.968 54 D CA 1.123 54.834 54.000 -0.481 0.000 0.882 54 D CB 0.056 40.398 40.800 -0.762 0.000 0.918 54 D HN 0.424 nan 8.370 nan 0.000 0.503 55 Y N -0.336 120.019 120.300 0.091 0.000 2.706 55 Y HA 0.227 4.776 4.550 -0.000 0.000 0.255 55 Y C 1.703 177.648 175.900 0.075 0.000 1.163 55 Y CA -0.709 57.463 58.100 0.120 0.000 1.174 55 Y CB 0.145 38.725 38.460 0.200 0.000 1.200 55 Y HN -0.113 nan 8.280 nan 0.000 0.544 56 E N 0.508 120.750 120.200 0.069 0.000 2.086 56 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 56 E C 1.918 178.358 176.600 -0.266 0.000 0.975 56 E CA 0.929 57.284 56.400 -0.076 0.000 0.813 56 E CB 0.370 30.037 29.700 -0.054 0.000 0.768 56 E HN 0.319 nan 8.360 nan 0.000 0.457 57 Q N 0.727 120.448 119.800 -0.131 0.000 2.123 57 Q HA 0.028 4.368 4.340 -0.000 0.000 0.199 57 Q C 0.159 176.122 176.000 -0.061 0.000 0.966 57 Q CA 0.807 56.557 55.803 -0.089 0.000 0.845 57 Q CB 0.277 29.035 28.738 0.033 0.000 0.907 57 Q HN 0.070 nan 8.270 nan 0.000 0.439 58 S N -0.733 114.945 115.700 -0.037 0.000 2.561 58 S HA 0.434 4.904 4.470 -0.000 0.000 0.303 58 S C 0.091 174.616 174.600 -0.126 0.000 1.110 58 S CA -0.763 57.393 58.200 -0.073 0.000 1.034 58 S CB 0.893 64.057 63.200 -0.060 0.000 1.010 58 S HN 0.366 nan 8.310 nan 0.000 0.482 59 R N 2.563 122.889 120.500 -0.291 0.000 2.148 59 R HA -0.018 4.322 4.340 -0.000 0.000 0.223 59 R C 1.914 177.622 176.300 -0.986 0.000 1.088 59 R CA 1.078 56.754 56.100 -0.707 0.000 0.985 59 R CB -0.088 29.791 30.300 -0.702 0.000 0.880 59 R HN 0.719 nan 8.270 nan 0.000 0.451 60 Q N 0.280 119.777 119.800 -0.505 0.000 2.124 60 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 60 Q C 2.215 178.048 176.000 -0.279 0.000 0.977 60 Q CA 1.917 57.496 55.803 -0.372 0.000 0.850 60 Q CB -0.039 28.576 28.738 -0.206 0.000 0.901 60 Q HN 0.349 nan 8.270 nan 0.000 0.429 61 S N 0.764 116.371 115.700 -0.155 0.000 2.419 61 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 61 S C 1.593 176.295 174.600 0.170 0.000 1.016 61 S CA 1.173 59.407 58.200 0.056 0.000 0.974 61 S CB -0.510 62.786 63.200 0.159 0.000 0.786 61 S HN 0.558 nan 8.310 nan 0.000 0.492 62 F N 0.615 120.584 119.950 0.032 0.000 2.765 62 F HA 0.634 5.161 4.527 -0.000 0.000 0.302 62 F C 1.280 176.975 175.800 -0.174 0.000 1.111 62 F CA -0.661 57.191 58.000 -0.247 0.000 1.359 62 F CB -0.571 38.177 39.000 -0.420 0.000 1.097 62 F HN 0.313 nan 8.300 nan 0.000 0.577 63 G N 1.608 110.277 108.800 -0.219 0.000 2.145 63 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.176 63 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.176 63 G C 0.691 175.495 174.900 -0.160 0.000 1.013 63 G CA 0.134 45.163 45.100 -0.118 0.000 0.689 63 G HN 0.566 nan 8.290 nan 0.000 0.506 64 I N 0.579 120.855 120.570 -0.490 0.000 2.916 64 I HA -0.060 4.110 4.170 -0.000 0.000 0.267 64 I C 1.723 177.770 176.117 -0.117 0.000 1.263 64 I CA 1.623 62.739 61.300 -0.307 0.000 1.471 64 I CB 0.066 37.682 38.000 -0.640 0.000 1.089 64 I HN 0.398 nan 8.210 nan 0.000 0.468 65 N N 0.048 118.675 118.700 -0.122 0.000 2.204 65 N HA -0.045 4.695 4.740 -0.000 0.000 0.219 65 N C 1.253 176.750 175.510 -0.021 0.000 1.151 65 N CA 0.681 53.707 53.050 -0.041 0.000 0.867 65 N CB -0.483 37.968 38.487 -0.060 0.000 1.043 65 N HN 0.297 nan 8.380 nan 0.000 0.516 66 V N -1.784 118.113 119.914 -0.027 0.000 2.809 66 V HA 0.043 4.163 4.120 -0.000 0.000 0.256 66 V C 1.816 177.894 176.094 -0.026 0.000 1.080 66 V CA 0.790 63.075 62.300 -0.024 0.000 1.102 66 V CB -0.665 31.142 31.823 -0.028 0.000 0.705 66 V HN 0.148 nan 8.190 nan 0.000 0.475 67 L N 1.001 122.215 121.223 -0.014 0.000 2.049 67 L HA 0.456 4.796 4.340 -0.000 0.000 0.203 67 L C 1.724 178.593 176.870 -0.002 0.000 1.074 67 L CA 1.136 55.962 54.840 -0.023 0.000 0.749 67 L CB -1.184 40.867 42.059 -0.013 0.000 0.907 67 L HN 0.664 nan 8.230 nan 0.000 0.439 68 G N -0.145 108.677 108.800 0.037 0.000 2.693 68 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 68 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 68 G C -0.271 174.680 174.900 0.084 0.000 1.354 68 G CA -0.372 44.775 45.100 0.077 0.000 0.873 68 G HN 0.123 nan 8.290 nan 0.000 0.562 69 T N 0.624 115.249 114.554 0.119 0.000 2.837 69 T HA 0.535 4.885 4.350 -0.000 0.000 0.285 69 T C 0.089 174.894 174.700 0.174 0.000 0.984 69 T CA 0.015 62.172 62.100 0.094 0.000 1.049 69 T CB 1.587 70.478 68.868 0.039 0.000 0.947 69 T HN 1.086 nan 8.240 nan 0.000 0.472 70 L N 4.218 125.523 121.223 0.136 0.000 2.295 70 L HA 0.710 5.049 4.340 -0.000 0.000 0.285 70 L C -1.415 175.564 176.870 0.181 0.000 1.035 70 L CA -0.489 54.464 54.840 0.189 0.000 0.806 70 L CB 0.623 42.769 42.059 0.145 0.000 1.214 70 L HN 0.501 nan 8.230 nan 0.000 0.426 71 I N 5.631 126.363 120.570 0.271 0.000 2.436 71 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 71 I C -0.715 175.627 176.117 0.375 0.000 1.010 71 I CA -0.387 61.108 61.300 0.326 0.000 1.098 71 I CB 1.991 40.215 38.000 0.374 0.000 1.266 71 I HN 0.257 nan 8.210 nan 0.000 0.434 72 V N 5.619 125.730 119.914 0.328 0.000 2.448 72 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 72 V C -0.284 176.033 176.094 0.371 0.000 1.025 72 V CA -0.637 61.827 62.300 0.274 0.000 0.859 72 V CB 1.797 33.724 31.823 0.172 0.000 0.988 72 V HN 0.757 nan 8.190 nan 0.000 0.431 73 E N 3.717 124.131 120.200 0.356 0.000 2.210 73 E HA 0.677 5.027 4.350 -0.000 0.000 0.266 73 E C -1.824 174.934 176.600 0.264 0.000 0.883 73 E CA -0.517 56.125 56.400 0.403 0.000 0.761 73 E CB 2.271 32.308 29.700 0.562 0.000 1.156 73 E HN 0.457 nan 8.360 nan 0.000 0.412 74 V N 3.994 124.060 119.914 0.252 0.000 2.448 74 V HA 0.333 4.453 4.120 -0.000 0.000 0.295 74 V C -0.323 175.884 176.094 0.189 0.000 1.025 74 V CA -0.709 61.705 62.300 0.191 0.000 0.859 74 V CB 1.551 33.466 31.823 0.154 0.000 0.988 74 V HN 0.720 nan 8.190 nan 0.000 0.431 75 E N 3.083 123.389 120.200 0.177 0.000 2.158 75 E HA 0.707 5.057 4.350 -0.000 0.000 0.271 75 E C -0.310 176.352 176.600 0.102 0.000 0.911 75 E CA -0.534 55.963 56.400 0.162 0.000 0.767 75 E CB 1.781 31.607 29.700 0.209 0.000 1.120 75 E HN 0.865 nan 8.360 nan 0.000 0.405 76 A N 3.706 126.577 122.820 0.085 0.000 2.271 76 A HA 0.184 4.504 4.320 -0.000 0.000 0.288 76 A C 0.900 178.501 177.584 0.028 0.000 1.094 76 A CA -0.402 51.664 52.037 0.048 0.000 0.828 76 A CB 0.560 19.596 19.000 0.059 0.000 1.091 76 A HN 0.829 nan 8.150 nan 0.000 0.493 77 E N 1.015 121.217 120.200 0.003 0.000 2.204 77 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 77 E C 0.865 177.475 176.600 0.016 0.000 0.990 77 E CA 1.342 57.738 56.400 -0.006 0.000 0.821 77 E CB -0.150 29.541 29.700 -0.016 0.000 0.750 77 E HN 0.774 nan 8.360 nan 0.000 0.477 78 N N 0.325 119.042 118.700 0.027 0.000 2.370 78 N HA -0.057 4.683 4.740 -0.000 0.000 0.198 78 N C 0.131 175.666 175.510 0.042 0.000 1.156 78 N CA 0.124 53.193 53.050 0.032 0.000 0.839 78 N CB 0.315 38.821 38.487 0.032 0.000 0.989 78 N HN -0.164 nan 8.380 nan 0.000 0.468 79 R N -1.458 119.073 120.500 0.052 0.000 3.785 79 R HA -0.170 4.170 4.340 -0.000 0.000 0.476 79 R C -0.424 175.921 176.300 0.075 0.000 0.905 79 R CA 1.151 57.290 56.100 0.065 0.000 1.412 79 R CB -2.216 28.116 30.300 0.054 0.000 2.077 79 R HN 0.575 nan 8.270 nan 0.000 0.504 80 Q N 0.480 120.323 119.800 0.072 0.000 2.394 80 Q HA 0.418 4.758 4.340 -0.000 0.000 0.248 80 Q C 0.506 176.572 176.000 0.110 0.000 0.992 80 Q CA 0.893 56.746 55.803 0.083 0.000 0.888 80 Q CB 1.192 29.974 28.738 0.073 0.000 1.257 80 Q HN 0.388 nan 8.270 nan 0.000 0.462 81 T N -2.210 112.425 114.554 0.134 0.000 2.887 81 T HA 0.844 5.194 4.350 -0.000 0.000 0.292 81 T C -0.307 174.527 174.700 0.223 0.000 1.087 81 T CA -0.715 61.491 62.100 0.177 0.000 1.009 81 T CB 2.049 71.031 68.868 0.190 0.000 1.203 81 T HN 0.661 nan 8.240 nan 0.000 0.518 82 G N 0.191 109.157 108.800 0.277 0.000 2.690 82 G HA2 0.753 4.712 3.960 -0.000 0.000 0.293 82 G HA3 0.753 4.712 3.960 -0.000 0.000 0.293 82 G C -1.547 173.621 174.900 0.448 0.000 1.399 82 G CA -1.049 44.249 45.100 0.331 0.000 0.890 82 G HN 1.203 nan 8.290 nan 0.000 0.485 83 F N -0.754 119.348 119.950 0.253 0.000 2.741 83 F HA 0.921 5.448 4.527 -0.000 0.000 0.313 83 F C -0.577 175.382 175.800 0.265 0.000 1.153 83 F CA -0.937 57.208 58.000 0.243 0.000 0.931 83 F CB 1.398 40.534 39.000 0.227 0.000 1.335 83 F HN 1.179 nan 8.300 nan 0.000 0.460 84 A N 0.813 123.640 122.820 0.011 0.000 2.599 84 A HA 0.829 5.149 4.320 -0.000 0.000 0.290 84 A C -1.582 175.959 177.584 -0.072 0.000 1.101 84 A CA -0.243 51.617 52.037 -0.296 0.000 0.674 84 A CB 1.311 20.035 19.000 -0.460 0.000 1.277 84 A HN 2.188 nan 8.150 nan 0.000 0.419 85 V N -2.072 117.666 119.914 -0.292 0.000 3.040 85 V HA 1.019 5.139 4.120 -0.000 0.000 0.312 85 V C -0.299 175.626 176.094 -0.282 0.000 1.115 85 V CA 0.152 62.358 62.300 -0.157 0.000 0.998 85 V CB 1.284 33.033 31.823 -0.122 0.000 1.042 85 V HN 2.030 nan 8.190 nan 0.000 0.433 86 S N 0.700 116.323 115.700 -0.129 0.000 2.724 86 S HA 0.633 5.103 4.470 -0.000 0.000 0.278 86 S C -0.782 173.858 174.600 0.067 0.000 1.190 86 S CA -0.016 58.182 58.200 -0.003 0.000 0.860 86 S CB 1.802 65.061 63.200 0.098 0.000 1.206 86 S HN 1.150 nan 8.310 nan 0.000 0.507 87 T N 1.930 116.598 114.554 0.190 0.000 2.753 87 T HA 0.733 5.083 4.350 -0.000 0.000 0.297 87 T C 0.497 175.219 174.700 0.036 0.000 0.981 87 T CA 0.305 62.464 62.100 0.098 0.000 0.956 87 T CB 0.884 69.808 68.868 0.093 0.000 0.936 87 T HN 1.042 nan 8.240 nan 0.000 0.463 88 A N 2.439 125.284 122.820 0.041 0.000 2.025 88 A HA 0.617 4.937 4.320 -0.000 0.000 0.162 88 A C 1.248 178.842 177.584 0.016 0.000 1.995 88 A CA 0.614 52.666 52.037 0.026 0.000 1.547 88 A CB -0.661 18.371 19.000 0.054 0.000 1.629 88 A HN 1.505 nan 8.150 nan 0.000 0.309 89 G N 0.425 109.257 108.800 0.053 0.000 2.582 89 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.288 89 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.288 89 G C 0.791 175.630 174.900 -0.101 0.000 1.247 89 G CA 1.243 46.343 45.100 0.001 0.000 0.972 89 G HN 0.865 nan 8.290 nan 0.000 0.557 90 E N -0.295 119.576 120.200 -0.549 0.000 2.085 90 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 90 E C 2.849 179.484 176.600 0.059 0.000 0.994 90 E CA 1.809 57.953 56.400 -0.427 0.000 0.801 90 E CB -0.192 29.095 29.700 -0.689 0.000 0.743 90 E HN 0.561 nan 8.360 nan 0.000 0.453 91 M N -0.497 119.107 119.600 0.007 0.000 2.229 91 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 91 M C 2.365 178.749 176.300 0.140 0.000 1.063 91 M CA 1.328 56.672 55.300 0.073 0.000 1.114 91 M CB -0.236 32.351 32.600 -0.022 0.000 1.387 91 M HN 0.224 nan 8.290 nan 0.000 0.420 92 G N -0.262 108.605 108.800 0.113 0.000 2.422 92 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 92 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 92 G C 1.496 176.503 174.900 0.178 0.000 1.146 92 G CA 0.904 46.084 45.100 0.134 0.000 0.769 92 G HN 0.461 nan 8.290 nan 0.000 0.547 93 C N -0.332 119.113 119.300 0.243 0.000 2.446 93 C HA 0.049 4.509 4.460 -0.000 0.000 0.277 93 C C 2.392 177.528 174.990 0.244 0.000 1.275 93 C CA 0.597 59.793 59.018 0.297 0.000 1.727 93 C CB -1.211 26.796 27.740 0.445 0.000 2.010 93 C HN 0.493 nan 8.230 nan 0.000 0.486 94 F N 1.693 121.651 119.950 0.013 0.000 2.069 94 F HA -0.150 4.376 4.527 -0.000 0.000 0.298 94 F C 2.174 177.839 175.800 -0.225 0.000 1.113 94 F CA 1.788 59.481 58.000 -0.512 0.000 1.214 94 F CB -0.320 38.389 39.000 -0.484 0.000 0.978 94 F HN 0.135 nan 8.300 nan 0.000 0.474 95 I N -0.454 120.290 120.570 0.289 0.000 2.208 95 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 95 I C 2.206 178.378 176.117 0.092 0.000 1.097 95 I CA 1.296 62.753 61.300 0.262 0.000 1.363 95 I CB -0.653 37.502 38.000 0.259 0.000 1.051 95 I HN 0.063 nan 8.210 nan 0.000 0.413 96 V N 0.469 120.408 119.914 0.042 0.000 2.270 96 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 96 V C 2.423 178.432 176.094 -0.143 0.000 1.043 96 V CA 1.724 64.014 62.300 -0.017 0.000 1.014 96 V CB -0.612 31.221 31.823 0.016 0.000 0.645 96 V HN 0.387 nan 8.190 nan 0.000 0.447 97 E N 0.068 120.161 120.200 -0.178 0.000 2.208 97 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 97 E C 1.857 178.205 176.600 -0.421 0.000 0.988 97 E CA 0.736 56.954 56.400 -0.304 0.000 0.828 97 E CB -0.055 29.597 29.700 -0.080 0.000 0.763 97 E HN 0.458 nan 8.360 nan 0.000 0.478 98 K N -0.879 119.247 120.400 -0.458 0.000 2.355 98 K HA 0.121 4.441 4.320 -0.000 0.000 0.198 98 K C 1.212 177.678 176.600 -0.224 0.000 1.039 98 K CA 0.252 56.242 56.287 -0.495 0.000 1.075 98 K CB 0.850 32.714 32.500 -1.061 0.000 0.870 98 K HN 0.334 nan 8.250 nan 0.000 0.540 99 H N -0.832 118.108 119.070 -0.216 0.000 1.985 99 H HA 0.228 4.784 4.556 -0.000 0.000 0.159 99 H C 1.631 176.931 175.328 -0.048 0.000 1.010 99 H CA -0.065 55.947 56.048 -0.060 0.000 1.075 99 H CB 0.385 30.224 29.762 0.128 0.000 0.963 99 H HN -0.153 nan 8.280 nan 0.000 0.330 100 L N 2.481 123.707 121.223 0.005 0.000 2.127 100 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 100 L C 2.331 179.189 176.870 -0.021 0.000 1.089 100 L CA 1.332 56.196 54.840 0.040 0.000 0.757 100 L CB -0.695 41.384 42.059 0.033 0.000 0.899 100 L HN 0.553 nan 8.230 nan 0.000 0.434 101 N N 2.257 120.867 118.700 -0.150 0.000 2.184 101 N HA -0.296 4.443 4.740 -0.000 0.000 0.190 101 N C 1.766 177.168 175.510 -0.180 0.000 1.011 101 N CA 2.027 54.963 53.050 -0.189 0.000 0.867 101 N CB -0.632 37.580 38.487 -0.459 0.000 0.993 101 N HN 0.549 nan 8.380 nan 0.000 0.433 102 R N -0.509 119.790 120.500 -0.335 0.000 2.193 102 R HA -0.043 4.296 4.340 -0.000 0.000 0.229 102 R C 0.974 177.021 176.300 -0.422 0.000 1.110 102 R CA 1.196 57.042 56.100 -0.423 0.000 0.988 102 R CB -0.581 29.366 30.300 -0.589 0.000 0.871 102 R HN 0.209 nan 8.270 nan 0.000 0.458 103 F N 0.409 120.347 119.950 -0.021 0.000 2.714 103 F HA 0.312 4.839 4.527 -0.000 0.000 0.294 103 F C 1.849 177.633 175.800 -0.027 0.000 1.120 103 F CA -0.206 57.779 58.000 -0.025 0.000 1.398 103 F CB 0.025 39.000 39.000 -0.042 0.000 1.120 103 F HN -0.120 nan 8.300 nan 0.000 0.589 104 I N -0.351 120.288 120.570 0.115 0.000 2.364 104 I HA -0.047 4.123 4.170 -0.000 0.000 0.241 104 I C 0.625 176.762 176.117 0.034 0.000 1.082 104 I CA 0.412 61.753 61.300 0.069 0.000 1.401 104 I CB -0.354 37.683 38.000 0.062 0.000 1.126 104 I HN -0.123 nan 8.210 nan 0.000 0.429 105 E N 1.369 121.584 120.200 0.026 0.000 2.415 105 E HA 0.223 4.573 4.350 -0.000 0.000 0.263 105 E C 0.808 177.404 176.600 -0.007 0.000 0.995 105 E CA 0.721 57.129 56.400 0.012 0.000 0.915 105 E CB 0.440 30.161 29.700 0.036 0.000 0.951 105 E HN 0.525 nan 8.360 nan 0.000 0.449 106 G N 2.675 111.462 108.800 -0.022 0.000 2.232 106 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.226 106 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.226 106 G C 0.265 175.154 174.900 -0.018 0.000 0.996 106 G CA -0.309 44.778 45.100 -0.023 0.000 0.626 106 G HN 0.347 nan 8.290 nan 0.000 0.509 107 K N 0.361 120.753 120.400 -0.014 0.000 2.107 107 K HA 0.500 4.820 4.320 -0.000 0.000 0.251 107 K C 0.757 177.334 176.600 -0.039 0.000 1.012 107 K CA -0.183 56.090 56.287 -0.023 0.000 0.920 107 K CB 1.220 33.708 32.500 -0.021 0.000 1.033 107 K HN 0.379 nan 8.250 nan 0.000 0.478 108 C N 1.292 120.558 119.300 -0.056 0.000 2.604 108 C HA 0.075 4.535 4.460 -0.000 0.000 0.396 108 C C 2.296 177.223 174.990 -0.105 0.000 1.282 108 C CA -0.533 58.445 59.018 -0.066 0.000 2.292 108 C CB -0.249 27.447 27.740 -0.074 0.000 2.633 108 C HN 0.621 nan 8.230 nan 0.000 0.620 109 V N 3.103 122.968 119.914 -0.081 0.000 3.026 109 V HA -0.022 4.098 4.120 -0.000 0.000 0.265 109 V C 1.741 177.613 176.094 -0.369 0.000 1.121 109 V CA 2.172 64.408 62.300 -0.106 0.000 1.142 109 V CB -1.308 30.545 31.823 0.051 0.000 0.730 109 V HN 1.013 nan 8.190 nan 0.000 0.503 110 S N -0.995 114.436 115.700 -0.449 0.000 2.535 110 S HA 0.082 4.551 4.470 -0.000 0.000 0.214 110 S C 0.776 175.047 174.600 -0.550 0.000 0.980 110 S CA 0.147 57.857 58.200 -0.816 0.000 0.907 110 S CB -0.330 62.536 63.200 -0.557 0.000 0.790 110 S HN 0.565 nan 8.310 nan 0.000 0.510 111 D N 2.028 122.222 120.400 -0.343 0.000 3.008 111 D HA 0.296 4.935 4.640 -0.000 0.000 0.242 111 D C 1.114 177.265 176.300 -0.247 0.000 1.222 111 D CA -0.030 53.830 54.000 -0.233 0.000 0.883 111 D CB -0.102 40.619 40.800 -0.132 0.000 1.110 111 D HN 0.466 nan 8.370 nan 0.000 0.455 112 I N 0.072 120.405 120.570 -0.396 0.000 2.202 112 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 112 I C 2.253 178.261 176.117 -0.181 0.000 1.091 112 I CA 1.012 62.071 61.300 -0.402 0.000 1.368 112 I CB -0.025 37.465 38.000 -0.850 0.000 1.058 112 I HN -0.044 nan 8.210 nan 0.000 0.410 113 K N 0.371 120.691 120.400 -0.133 0.000 2.148 113 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 113 K C 2.070 178.690 176.600 0.032 0.000 1.050 113 K CA 1.090 57.380 56.287 0.006 0.000 0.942 113 K CB -0.222 32.288 32.500 0.016 0.000 0.724 113 K HN 0.140 nan 8.250 nan 0.000 0.446 114 L N 1.582 122.788 121.223 -0.027 0.000 2.027 114 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 114 L C 1.896 178.751 176.870 -0.025 0.000 1.074 114 L CA 1.546 56.371 54.840 -0.025 0.000 0.745 114 L CB -0.275 41.761 42.059 -0.039 0.000 0.898 114 L HN 0.104 nan 8.230 nan 0.000 0.433 115 I N -0.919 119.639 120.570 -0.020 0.000 2.264 115 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 115 I C 2.521 178.627 176.117 -0.018 0.000 1.111 115 I CA 1.526 62.822 61.300 -0.007 0.000 1.382 115 I CB -0.527 37.477 38.000 0.007 0.000 1.060 115 I HN 0.452 nan 8.210 nan 0.000 0.418 116 H N 0.890 119.919 119.070 -0.069 0.000 2.319 116 H HA -0.249 4.307 4.556 -0.000 0.000 0.299 116 H C 1.874 177.150 175.328 -0.087 0.000 1.092 116 H CA 2.338 58.356 56.048 -0.049 0.000 1.302 116 H CB -0.204 29.561 29.762 0.005 0.000 1.373 116 H HN 0.291 nan 8.280 nan 0.000 0.497 117 D N -0.674 119.680 120.400 -0.077 0.000 2.144 117 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 117 D C 2.056 178.208 176.300 -0.245 0.000 0.984 117 D CA 1.217 55.127 54.000 -0.149 0.000 0.834 117 D CB 0.019 40.784 40.800 -0.059 0.000 0.955 117 D HN 0.545 nan 8.370 nan 0.000 0.465 118 Q N -0.721 118.905 119.800 -0.291 0.000 2.119 118 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 118 Q C 2.309 177.836 176.000 -0.789 0.000 0.972 118 Q CA 0.871 56.353 55.803 -0.534 0.000 0.847 118 Q CB -0.077 28.321 28.738 -0.567 0.000 0.903 118 Q HN 0.454 nan 8.270 nan 0.000 0.433 119 M N 0.296 119.551 119.600 -0.576 0.000 2.132 119 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 119 M C 2.177 178.240 176.300 -0.395 0.000 1.065 119 M CA 1.376 56.389 55.300 -0.478 0.000 1.122 119 M CB -0.314 32.128 32.600 -0.264 0.000 1.365 119 M HN 0.214 nan 8.290 nan 0.000 0.411 120 L N -0.418 120.581 121.223 -0.374 0.000 2.017 120 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 120 L C 2.735 179.472 176.870 -0.222 0.000 1.073 120 L CA 1.481 56.145 54.840 -0.294 0.000 0.745 120 L CB -1.291 40.589 42.059 -0.298 0.000 0.894 120 L HN 0.400 nan 8.230 nan 0.000 0.432 121 G N -0.646 108.023 108.800 -0.217 0.000 2.422 121 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 121 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 121 G C 1.673 176.531 174.900 -0.070 0.000 1.146 121 G CA 0.729 45.750 45.100 -0.132 0.000 0.769 121 G HN 0.470 nan 8.290 nan 0.000 0.547 122 A N 0.313 123.045 122.820 -0.148 0.000 2.119 122 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 122 A C 2.346 180.088 177.584 0.263 0.000 1.152 122 A CA 2.142 54.230 52.037 0.086 0.000 0.708 122 A CB -0.351 18.653 19.000 0.008 0.000 0.805 122 A HN 0.512 nan 8.150 nan 0.000 0.460 123 T N -4.460 110.059 114.554 -0.058 0.000 3.044 123 T HA 0.201 4.551 4.350 -0.000 0.000 0.260 123 T C 1.526 175.951 174.700 -0.458 0.000 1.019 123 T CA 0.542 62.406 62.100 -0.394 0.000 0.921 123 T CB -0.282 68.201 68.868 -0.643 0.000 1.053 123 T HN 0.262 nan 8.240 nan 0.000 0.533 124 M N 1.588 121.101 119.600 -0.144 0.000 2.195 124 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 124 M C 1.928 178.213 176.300 -0.025 0.000 1.066 124 M CA 1.919 57.169 55.300 -0.084 0.000 1.089 124 M CB -0.324 32.276 32.600 -0.001 0.000 1.377 124 M HN 0.630 nan 8.290 nan 0.000 0.411 125 Y N -0.704 119.602 120.300 0.011 0.000 2.571 125 Y HA -0.129 4.420 4.550 -0.000 0.000 0.294 125 Y C 1.123 177.120 175.900 0.162 0.000 1.141 125 Y CA 0.871 59.023 58.100 0.087 0.000 1.308 125 Y CB -0.949 37.589 38.460 0.129 0.000 1.002 125 Y HN 0.505 nan 8.280 nan 0.000 0.551 126 Y N -1.584 118.428 120.300 -0.481 0.000 2.729 126 Y HA 0.381 4.931 4.550 -0.000 0.000 0.266 126 Y C 1.605 177.378 175.900 -0.212 0.000 1.064 126 Y CA -0.280 57.604 58.100 -0.360 0.000 1.251 126 Y CB -0.557 37.578 38.460 -0.541 0.000 1.379 126 Y HN 0.068 nan 8.280 nan 0.000 0.569 127 S N 0.130 115.568 115.700 -0.437 0.000 2.446 127 S HA 0.236 4.706 4.470 -0.000 0.000 0.225 127 S C 1.944 176.465 174.600 -0.132 0.000 1.016 127 S CA 0.780 58.788 58.200 -0.319 0.000 0.943 127 S CB -0.753 62.244 63.200 -0.339 0.000 0.786 127 S HN 1.293 nan 8.310 nan 0.000 0.508 128 G N 1.752 110.498 108.800 -0.090 0.000 2.168 128 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.257 128 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.257 128 G C 0.393 175.273 174.900 -0.032 0.000 0.997 128 G CA 0.673 45.747 45.100 -0.045 0.000 0.708 128 G HN 1.987 nan 8.290 nan 0.000 0.520 129 S N -3.274 112.403 115.700 -0.038 0.000 3.608 129 S HA 0.339 4.809 4.470 -0.000 0.000 0.382 129 S C 1.609 176.224 174.600 0.026 0.000 0.945 129 S CA 1.350 59.551 58.200 0.001 0.000 1.256 129 S CB -1.588 61.628 63.200 0.027 0.000 0.913 129 S HN 3.039 nan 8.310 nan 0.000 0.518 130 G N -1.010 107.798 108.800 0.014 0.000 2.351 130 G HA2 0.639 4.599 3.960 -0.000 0.000 0.353 130 G HA3 0.639 4.599 3.960 -0.000 0.000 0.353 130 G C 0.256 175.156 174.900 -0.001 0.000 1.358 130 G CA 0.798 45.920 45.100 0.038 0.000 0.995 130 G HN 2.545 nan 8.290 nan 0.000 0.611 131 G N -1.073 107.727 108.800 0.000 0.000 2.645 131 G HA2 0.143 4.103 3.960 -0.000 0.000 0.239 131 G HA3 0.143 4.103 3.960 -0.000 0.000 0.239 131 G C 1.215 176.085 174.900 -0.050 0.000 1.331 131 G CA 0.663 45.730 45.100 -0.054 0.000 0.890 131 G HN 2.330 nan 8.290 nan 0.000 0.572 132 L N 0.169 121.354 121.223 -0.063 0.000 2.026 132 L HA -0.224 4.116 4.340 -0.000 0.000 0.231 132 L C 3.126 179.995 176.870 -0.002 0.000 1.095 132 L CA 3.648 58.466 54.840 -0.038 0.000 0.810 132 L CB -1.073 40.968 42.059 -0.029 0.000 0.909 132 L HN 1.031 nan 8.230 nan 0.000 0.444 133 V N -1.021 118.891 119.914 -0.003 0.000 2.343 133 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 133 V C 2.473 178.555 176.094 -0.019 0.000 1.051 133 V CA 2.086 64.378 62.300 -0.013 0.000 1.036 133 V CB -0.692 31.073 31.823 -0.096 0.000 0.654 133 V HN 0.608 nan 8.190 nan 0.000 0.451 134 M N 0.881 120.478 119.600 -0.006 0.000 2.229 134 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 134 M C 1.776 178.135 176.300 0.099 0.000 1.063 134 M CA 1.487 56.811 55.300 0.040 0.000 1.114 134 M CB -0.879 31.766 32.600 0.074 0.000 1.387 134 M HN 0.313 nan 8.290 nan 0.000 0.420 135 N N -0.723 118.037 118.700 0.099 0.000 2.166 135 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 135 N C 1.539 177.125 175.510 0.126 0.000 1.019 135 N CA 1.962 55.107 53.050 0.158 0.000 0.856 135 N CB -0.791 37.742 38.487 0.078 0.000 0.993 135 N HN 0.408 nan 8.380 nan 0.000 0.426 136 T N 1.442 116.047 114.554 0.084 0.000 2.737 136 T HA 0.065 4.415 4.350 -0.000 0.000 0.265 136 T C 2.088 176.832 174.700 0.074 0.000 1.038 136 T CA 0.582 62.730 62.100 0.080 0.000 1.144 136 T CB -0.149 68.766 68.868 0.077 0.000 0.866 136 T HN 0.163 nan 8.240 nan 0.000 0.434 137 I N 1.252 121.856 120.570 0.056 0.000 2.226 137 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 137 I C 2.674 178.861 176.117 0.117 0.000 1.100 137 I CA 0.948 62.280 61.300 0.053 0.000 1.374 137 I CB -0.378 37.619 38.000 -0.004 0.000 1.057 137 I HN 0.191 nan 8.210 nan 0.000 0.413 138 S N -0.136 115.644 115.700 0.133 0.000 2.368 138 S HA -0.242 4.228 4.470 -0.000 0.000 0.225 138 S C 2.164 176.816 174.600 0.087 0.000 1.030 138 S CA 1.459 59.746 58.200 0.145 0.000 0.999 138 S CB -0.637 62.660 63.200 0.163 0.000 0.844 138 S HN 0.581 nan 8.310 nan 0.000 0.459 139 C N 1.449 120.786 119.300 0.063 0.000 2.425 139 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 139 C C 2.597 177.613 174.990 0.044 0.000 1.280 139 C CA 0.689 59.710 59.018 0.005 0.000 1.744 139 C CB -1.310 26.449 27.740 0.031 0.000 1.989 139 C HN 0.409 nan 8.230 nan 0.000 0.491 140 V N 0.602 120.568 119.914 0.086 0.000 2.307 140 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 140 V C 2.181 178.353 176.094 0.130 0.000 1.045 140 V CA 2.532 64.894 62.300 0.103 0.000 1.024 140 V CB -0.859 31.019 31.823 0.092 0.000 0.651 140 V HN 0.576 nan 8.190 nan 0.000 0.449 141 D N 0.113 120.612 120.400 0.166 0.000 2.104 141 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 141 D C 2.038 178.537 176.300 0.332 0.000 0.994 141 D CA 1.531 55.669 54.000 0.230 0.000 0.830 141 D CB -0.160 40.801 40.800 0.268 0.000 0.959 141 D HN 0.373 nan 8.370 nan 0.000 0.452 142 L N -0.108 121.261 121.223 0.243 0.000 2.093 142 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 142 L C 2.578 179.648 176.870 0.334 0.000 1.085 142 L CA 1.057 56.056 54.840 0.266 0.000 0.755 142 L CB -0.469 41.473 42.059 -0.195 0.000 0.904 142 L HN 0.105 nan 8.230 nan 0.000 0.435 143 A N 0.046 122.978 122.820 0.186 0.000 1.930 143 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 143 A C 2.232 179.952 177.584 0.226 0.000 1.175 143 A CA 1.288 53.449 52.037 0.207 0.000 0.627 143 A CB -0.588 18.524 19.000 0.186 0.000 0.815 143 A HN 0.353 nan 8.150 nan 0.000 0.443 144 L N -2.790 118.534 121.223 0.168 0.000 2.056 144 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 144 L C 2.570 179.479 176.870 0.064 0.000 1.078 144 L CA 1.235 56.108 54.840 0.055 0.000 0.749 144 L CB -0.531 41.479 42.059 -0.080 0.000 0.901 144 L HN 0.586 nan 8.230 nan 0.000 0.433 145 W N 0.618 122.026 121.300 0.180 0.000 2.363 145 W HA -0.216 4.444 4.660 -0.000 0.000 0.296 145 W C 2.378 178.934 176.519 0.061 0.000 1.212 145 W CA 1.275 58.715 57.345 0.158 0.000 1.260 145 W CB -0.196 29.373 29.460 0.182 0.000 1.131 145 W HN 0.221 nan 8.180 nan 0.000 0.530 146 D N -0.019 120.601 120.400 0.367 0.000 2.097 146 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 146 D C 2.041 178.437 176.300 0.161 0.000 0.984 146 D CA 1.269 55.396 54.000 0.212 0.000 0.826 146 D CB -0.356 40.652 40.800 0.348 0.000 0.973 146 D HN -0.016 nan 8.370 nan 0.000 0.460 147 L N -0.260 121.082 121.223 0.198 0.000 2.017 147 L HA -0.058 4.281 4.340 -0.000 0.000 0.208 147 L C 2.042 179.017 176.870 0.174 0.000 1.073 147 L CA 1.608 56.552 54.840 0.173 0.000 0.745 147 L CB -1.160 40.997 42.059 0.162 0.000 0.894 147 L HN 0.088 nan 8.230 nan 0.000 0.432 148 F N 0.671 120.615 119.950 -0.010 0.000 2.126 148 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 148 F C 2.223 178.016 175.800 -0.012 0.000 1.096 148 F CA 1.546 59.521 58.000 -0.042 0.000 1.255 148 F CB -1.125 37.795 39.000 -0.132 0.000 0.997 148 F HN 0.152 nan 8.300 nan 0.000 0.479 149 G N -0.005 108.759 108.800 -0.059 0.000 2.422 149 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 149 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 149 G C 1.791 176.601 174.900 -0.149 0.000 1.146 149 G CA 0.709 45.689 45.100 -0.201 0.000 0.769 149 G HN 0.359 nan 8.290 nan 0.000 0.547 150 K N -0.063 120.307 120.400 -0.049 0.000 2.103 150 K HA 0.069 4.388 4.320 -0.000 0.000 0.204 150 K C 2.537 179.125 176.600 -0.020 0.000 1.052 150 K CA 0.669 56.950 56.287 -0.011 0.000 0.945 150 K CB -0.135 32.399 32.500 0.057 0.000 0.722 150 K HN 0.209 nan 8.250 nan 0.000 0.443 151 V N 1.090 120.995 119.914 -0.015 0.000 2.307 151 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 151 V C 2.214 178.266 176.094 -0.070 0.000 1.045 151 V CA 1.424 63.721 62.300 -0.006 0.000 1.024 151 V CB -0.170 31.688 31.823 0.059 0.000 0.651 151 V HN 0.053 nan 8.190 nan 0.000 0.449 152 V N 0.152 119.953 119.914 -0.188 0.000 2.667 152 V HA 0.125 4.245 4.120 -0.000 0.000 0.252 152 V C 1.761 177.760 176.094 -0.158 0.000 1.065 152 V CA 1.516 63.676 62.300 -0.233 0.000 1.083 152 V CB -0.779 30.759 31.823 -0.476 0.000 0.692 152 V HN 0.807 nan 8.190 nan 0.000 0.468 153 G N 0.125 108.842 108.800 -0.139 0.000 2.165 153 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.226 153 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.226 153 G C -0.314 174.519 174.900 -0.112 0.000 1.035 153 G CA 0.157 45.200 45.100 -0.094 0.000 0.744 153 G HN 0.403 nan 8.290 nan 0.000 0.501 154 L N -0.606 120.523 121.223 -0.158 0.000 2.371 154 L HA 0.559 4.899 4.340 -0.000 0.000 0.262 154 L C -2.360 174.399 176.870 -0.185 0.000 1.006 154 L CA -2.644 52.092 54.840 -0.173 0.000 0.818 154 L CB 2.700 44.636 42.059 -0.204 0.000 1.354 154 L HN -0.136 nan 8.230 nan 0.000 0.415 155 P HA 0.069 nan 4.420 nan 0.000 0.271 155 P C 0.781 177.956 177.300 -0.207 0.000 1.218 155 P CA -0.361 62.658 63.100 -0.136 0.000 0.780 155 P CB 0.923 32.600 31.700 -0.037 0.000 0.901 156 V N 2.261 121.995 119.914 -0.300 0.000 2.392 156 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 156 V C 2.063 178.120 176.094 -0.060 0.000 1.059 156 V CA 2.190 64.309 62.300 -0.302 0.000 1.051 156 V CB -1.672 29.688 31.823 -0.771 0.000 0.658 156 V HN 0.659 nan 8.190 nan 0.000 0.455 157 Y N 1.060 121.439 120.300 0.132 0.000 2.274 157 Y HA -0.157 4.392 4.550 -0.000 0.000 0.290 157 Y C 2.209 178.095 175.900 -0.024 0.000 1.145 157 Y CA 1.491 59.607 58.100 0.026 0.000 1.203 157 Y CB -0.616 37.836 38.460 -0.013 0.000 0.984 157 Y HN 0.126 nan 8.280 nan 0.000 0.533 158 K N 0.593 120.664 120.400 -0.548 0.000 2.116 158 K HA 0.035 4.355 4.320 -0.000 0.000 0.203 158 K C 2.014 178.513 176.600 -0.169 0.000 1.052 158 K CA 1.196 57.229 56.287 -0.424 0.000 0.952 158 K CB -0.172 32.008 32.500 -0.533 0.000 0.729 158 K HN 0.373 nan 8.250 nan 0.000 0.446 159 L N 0.654 121.797 121.223 -0.134 0.000 2.131 159 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 159 L C 1.816 178.709 176.870 0.038 0.000 1.092 159 L CA 0.674 55.501 54.840 -0.022 0.000 0.759 159 L CB -0.301 41.788 42.059 0.050 0.000 0.903 159 L HN 0.114 nan 8.230 nan 0.000 0.435 160 L N -0.513 120.703 121.223 -0.012 0.000 2.465 160 L HA 0.041 4.381 4.340 -0.000 0.000 0.224 160 L C 1.548 178.436 176.870 0.030 0.000 1.145 160 L CA 1.425 56.259 54.840 -0.009 0.000 0.834 160 L CB -0.602 41.415 42.059 -0.071 0.000 0.944 160 L HN 0.392 nan 8.230 nan 0.000 0.451 161 G N -2.598 106.216 108.800 0.025 0.000 2.198 161 G HA2 0.208 4.168 3.960 -0.000 0.000 0.156 161 G HA3 0.208 4.168 3.960 -0.000 0.000 0.156 161 G C 0.627 175.552 174.900 0.041 0.000 1.012 161 G CA -0.320 44.801 45.100 0.035 0.000 0.692 161 G HN 0.772 nan 8.290 nan 0.000 0.492 162 G N -0.732 108.103 108.800 0.057 0.000 2.746 162 G HA2 0.451 4.411 3.960 -0.000 0.000 0.685 162 G HA3 0.451 4.411 3.960 -0.000 0.000 0.685 162 G C 0.310 175.310 174.900 0.166 0.000 1.350 162 G CA 0.744 45.921 45.100 0.129 0.000 0.837 162 G HN 2.097 nan 8.290 nan 0.000 0.564 163 A N -0.713 122.231 122.820 0.207 0.000 2.371 163 A HA 0.720 5.040 4.320 -0.000 0.000 0.257 163 A C 1.592 179.164 177.584 -0.020 0.000 1.089 163 A CA 0.666 52.701 52.037 -0.003 0.000 0.794 163 A CB 0.969 19.873 19.000 -0.160 0.000 1.029 163 A HN 2.342 nan 8.150 nan 0.000 0.488 164 V N -0.645 119.236 119.914 -0.056 0.000 3.427 164 V HA 0.411 4.530 4.120 -0.000 0.000 0.305 164 V C 0.280 176.340 176.094 -0.057 0.000 1.412 164 V CA 0.277 62.556 62.300 -0.034 0.000 1.086 164 V CB -1.612 30.206 31.823 -0.009 0.000 0.964 164 V HN 0.965 nan 8.190 nan 0.000 0.439 165 R N -1.852 118.586 120.500 -0.104 0.000 2.663 165 R HA 0.492 4.832 4.340 -0.000 0.000 0.267 165 R C -0.968 175.215 176.300 -0.194 0.000 1.038 165 R CA -0.577 55.450 56.100 -0.123 0.000 0.886 165 R CB 0.981 31.208 30.300 -0.122 0.000 1.249 165 R HN -0.055 nan 8.270 nan 0.000 0.463 166 D N 0.769 121.048 120.400 -0.202 0.000 2.317 166 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 166 D C -0.166 175.817 176.300 -0.529 0.000 0.966 166 D CA 1.259 55.056 54.000 -0.337 0.000 0.876 166 D CB 0.468 41.133 40.800 -0.225 0.000 0.927 166 D HN 0.620 nan 8.370 nan 0.000 0.519 167 E N -0.436 119.558 120.200 -0.343 0.000 2.412 167 E HA 0.470 4.820 4.350 -0.000 0.000 0.279 167 E C -1.072 175.370 176.600 -0.263 0.000 0.984 167 E CA -0.792 55.421 56.400 -0.312 0.000 0.788 167 E CB 1.486 31.072 29.700 -0.190 0.000 1.277 167 E HN -0.173 nan 8.360 nan 0.000 0.455 168 I N 2.172 122.567 120.570 -0.291 0.000 2.336 168 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 168 I C -0.148 175.715 176.117 -0.425 0.000 0.991 168 I CA -0.721 60.332 61.300 -0.413 0.000 1.227 168 I CB 1.460 39.094 38.000 -0.609 0.000 1.366 168 I HN 0.476 nan 8.210 nan 0.000 0.466 169 Q N 5.780 125.380 119.800 -0.333 0.000 2.241 169 Q HA 0.623 4.963 4.340 -0.000 0.000 0.254 169 Q C -1.512 174.360 176.000 -0.213 0.000 0.917 169 Q CA -0.564 55.137 55.803 -0.170 0.000 0.919 169 Q CB 1.767 30.470 28.738 -0.058 0.000 1.237 169 Q HN 0.381 nan 8.270 nan 0.000 0.434 170 F N 1.438 121.468 119.950 0.134 0.000 2.507 170 F HA 0.443 4.970 4.527 -0.000 0.000 0.327 170 F C -0.467 175.573 175.800 0.401 0.000 1.068 170 F CA -1.117 57.046 58.000 0.272 0.000 0.965 170 F CB 1.286 40.484 39.000 0.330 0.000 1.192 170 F HN 0.588 nan 8.300 nan 0.000 0.476 171 Y N 0.670 121.268 120.300 0.497 0.000 2.457 171 Y HA 0.874 5.424 4.550 -0.000 0.000 0.333 171 Y C -0.837 175.152 175.900 0.148 0.000 1.119 171 Y CA -1.989 56.255 58.100 0.240 0.000 1.143 171 Y CB 0.806 39.348 38.460 0.137 0.000 1.230 171 Y HN 0.675 nan 8.280 nan 0.000 0.469 172 A N 2.057 124.886 122.820 0.015 0.000 2.304 172 A HA 0.639 4.959 4.320 -0.000 0.000 0.323 172 A C -0.632 176.907 177.584 -0.074 0.000 1.195 172 A CA -0.767 51.066 52.037 -0.340 0.000 0.826 172 A CB 0.461 18.915 19.000 -0.910 0.000 1.184 172 A HN 0.813 nan 8.150 nan 0.000 0.496 173 T N 1.692 116.174 114.554 -0.121 0.000 2.744 173 T HA 0.685 5.035 4.350 -0.000 0.000 0.291 173 T C 0.421 174.917 174.700 -0.340 0.000 0.957 173 T CA 0.531 62.604 62.100 -0.045 0.000 1.002 173 T CB 1.033 69.968 68.868 0.112 0.000 0.919 173 T HN 1.528 nan 8.240 nan 0.000 0.468 174 G N 0.962 109.409 108.800 -0.588 0.000 2.320 174 G HA2 0.494 4.454 3.960 -0.000 0.000 0.296 174 G HA3 0.494 4.454 3.960 -0.000 0.000 0.296 174 G C 0.075 174.467 174.900 -0.846 0.000 1.306 174 G CA -0.166 44.107 45.100 -1.378 0.000 0.836 174 G HN 0.608 nan 8.290 nan 0.000 0.517 175 A N -0.704 121.623 122.820 -0.822 0.000 2.251 175 A HA 0.416 4.736 4.320 -0.000 0.000 0.209 175 A C 1.000 178.486 177.584 -0.163 0.000 1.187 175 A CA 0.682 52.558 52.037 -0.268 0.000 0.823 175 A CB -0.051 18.918 19.000 -0.052 0.000 0.846 175 A HN 0.253 nan 8.150 nan 0.000 0.486 176 R N -0.504 119.873 120.500 -0.207 0.000 2.651 176 R HA 0.248 4.588 4.340 -0.000 0.000 0.282 176 R C -2.583 173.674 176.300 -0.071 0.000 1.565 176 R CA -1.836 54.197 56.100 -0.111 0.000 1.661 176 R CB 0.195 30.433 30.300 -0.102 0.000 1.189 176 R HN 0.126 nan 8.270 nan 0.000 0.621 177 P HA -0.179 nan 4.420 nan 0.000 0.218 177 P C 0.918 178.182 177.300 -0.060 0.000 1.148 177 P CA 1.273 64.441 63.100 0.113 0.000 0.822 177 P CB 0.349 32.178 31.700 0.215 0.000 0.784 178 D N -0.060 120.272 120.400 -0.113 0.000 2.117 178 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 178 D C 1.894 178.079 176.300 -0.192 0.000 0.987 178 D CA 1.328 55.206 54.000 -0.204 0.000 0.829 178 D CB -1.273 39.453 40.800 -0.125 0.000 0.961 178 D HN 0.205 nan 8.370 nan 0.000 0.460 179 L N 0.343 121.504 121.223 -0.103 0.000 2.141 179 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 179 L C 2.845 179.712 176.870 -0.006 0.000 1.094 179 L CA 0.949 55.754 54.840 -0.058 0.000 0.763 179 L CB -0.541 41.499 42.059 -0.031 0.000 0.908 179 L HN 0.064 nan 8.230 nan 0.000 0.437 180 A N 0.439 123.278 122.820 0.032 0.000 1.908 180 A HA -0.263 4.056 4.320 -0.000 0.000 0.218 180 A C 2.433 180.167 177.584 0.251 0.000 1.181 180 A CA 2.024 54.211 52.037 0.250 0.000 0.627 180 A CB -0.449 18.690 19.000 0.232 0.000 0.818 180 A HN 0.343 nan 8.150 nan 0.000 0.445 181 K N -0.251 120.014 120.400 -0.224 0.000 2.057 181 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 181 K C 2.053 178.547 176.600 -0.177 0.000 1.049 181 K CA 1.747 57.752 56.287 -0.470 0.000 0.931 181 K CB -0.204 31.575 32.500 -1.201 0.000 0.714 181 K HN 0.610 nan 8.250 nan 0.000 0.440 182 E N 0.254 120.361 120.200 -0.155 0.000 2.110 182 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 182 E C 1.883 178.445 176.600 -0.064 0.000 0.988 182 E CA 1.321 57.662 56.400 -0.099 0.000 0.804 182 E CB -0.003 29.647 29.700 -0.083 0.000 0.745 182 E HN 0.372 nan 8.360 nan 0.000 0.458 183 M N -1.312 118.281 119.600 -0.012 0.000 2.476 183 M HA 0.037 4.517 4.480 -0.000 0.000 0.262 183 M C 1.422 177.595 176.300 -0.212 0.000 1.079 183 M CA 1.194 56.463 55.300 -0.051 0.000 1.104 183 M CB 0.601 33.264 32.600 0.106 0.000 1.409 183 M HN 0.390 nan 8.290 nan 0.000 0.467 184 G N -0.507 108.200 108.800 -0.155 0.000 2.192 184 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.193 184 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.193 184 G C -0.031 174.749 174.900 -0.199 0.000 0.999 184 G CA -0.784 44.192 45.100 -0.207 0.000 0.659 184 G HN 0.275 nan 8.290 nan 0.000 0.503 185 F N 1.021 121.023 119.950 0.086 0.000 2.490 185 F HA 0.450 4.976 4.527 -0.000 0.000 0.336 185 F C 2.157 178.061 175.800 0.173 0.000 1.178 185 F CA 0.171 58.258 58.000 0.144 0.000 1.301 185 F CB 0.553 39.680 39.000 0.213 0.000 1.175 185 F HN 0.149 nan 8.300 nan 0.000 0.593 186 I N -0.949 119.689 120.570 0.113 0.000 3.793 186 I HA 0.481 4.651 4.170 -0.000 0.000 0.315 186 I C 0.640 176.214 176.117 -0.905 0.000 1.275 186 I CA 0.325 61.411 61.300 -0.356 0.000 1.214 186 I CB -0.468 37.133 38.000 -0.665 0.000 1.018 186 I HN 0.482 nan 8.210 nan 0.000 0.439 187 G N 0.040 108.381 108.800 -0.767 0.000 2.506 187 G HA2 0.563 4.523 3.960 -0.000 0.000 0.292 187 G HA3 0.563 4.523 3.960 -0.000 0.000 0.292 187 G C -1.499 173.081 174.900 -0.533 0.000 1.425 187 G CA -0.275 44.077 45.100 -1.245 0.000 0.788 187 G HN 0.239 nan 8.290 nan 0.000 0.490 188 G N -0.242 108.323 108.800 -0.393 0.000 2.732 188 G HA2 0.567 4.527 3.960 -0.000 0.000 0.295 188 G HA3 0.567 4.527 3.960 -0.000 0.000 0.295 188 G C -1.087 173.761 174.900 -0.087 0.000 1.456 188 G CA -0.581 44.526 45.100 0.011 0.000 1.050 188 G HN 0.561 nan 8.290 nan 0.000 0.525 189 K N 2.856 123.241 120.400 -0.027 0.000 2.240 189 K HA 0.636 4.956 4.320 -0.000 0.000 0.271 189 K C -0.042 176.554 176.600 -0.007 0.000 1.018 189 K CA -0.546 55.700 56.287 -0.069 0.000 0.874 189 K CB 0.894 33.423 32.500 0.049 0.000 1.098 189 K HN 0.452 nan 8.250 nan 0.000 0.458 190 M N 5.580 125.177 119.600 -0.006 0.000 2.537 190 M HA 0.444 4.924 4.480 -0.000 0.000 0.324 190 M C -2.227 174.126 176.300 0.089 0.000 1.187 190 M CA -2.203 53.114 55.300 0.028 0.000 0.993 190 M CB 1.920 34.541 32.600 0.036 0.000 1.666 190 M HN 0.470 nan 8.290 nan 0.000 0.461 191 P HA 0.194 nan 4.420 nan 0.000 0.286 191 P C -0.886 176.341 177.300 -0.122 0.000 1.261 191 P CA -0.389 62.750 63.100 0.064 0.000 0.821 191 P CB 0.797 32.564 31.700 0.112 0.000 1.013 192 T N -0.860 113.672 114.554 -0.037 0.000 2.904 192 T HA 0.218 4.568 4.350 -0.000 0.000 0.290 192 T C 0.898 175.453 174.700 -0.242 0.000 1.018 192 T CA -0.247 61.846 62.100 -0.011 0.000 1.075 192 T CB 0.422 69.385 68.868 0.159 0.000 0.986 192 T HN 0.414 nan 8.240 nan 0.000 0.523 193 H N -0.006 119.045 119.070 -0.033 0.000 2.885 193 H HA 0.213 4.769 4.556 -0.000 0.000 0.260 193 H C -0.482 174.450 175.328 -0.660 0.000 0.985 193 H CA -0.172 55.657 56.048 -0.365 0.000 1.210 193 H CB 0.414 29.805 29.762 -0.619 0.000 1.466 193 H HN 0.634 nan 8.280 nan 0.000 0.493 194 W N 0.348 121.823 121.300 0.291 0.000 2.799 194 W HA 0.578 5.238 4.660 -0.000 0.000 0.349 194 W C 0.459 177.003 176.519 0.041 0.000 1.100 194 W CA -0.854 56.596 57.345 0.176 0.000 1.174 194 W CB 1.215 30.768 29.460 0.154 0.000 1.427 194 W HN -0.040 nan 8.180 nan 0.000 0.547 195 G N -0.105 108.635 108.800 -0.100 0.000 3.105 195 G HA2 0.496 4.456 3.960 -0.000 0.000 0.277 195 G HA3 0.496 4.456 3.960 -0.000 0.000 0.277 195 G C -2.426 171.800 174.900 -1.125 0.000 1.375 195 G CA -1.409 43.367 45.100 -0.540 0.000 0.962 195 G HN 0.138 nan 8.290 nan 0.000 0.541 196 P HA -0.206 nan 4.420 nan 0.000 0.216 196 P C 1.495 178.619 177.300 -0.293 0.000 1.154 196 P CA 1.855 64.502 63.100 -0.756 0.000 0.865 196 P CB -0.081 31.435 31.700 -0.307 0.000 0.789 197 H N -2.020 116.951 119.070 -0.165 0.000 2.545 197 H HA 0.011 4.566 4.556 -0.000 0.000 0.282 197 H C 0.777 176.115 175.328 0.017 0.000 1.020 197 H CA 0.957 56.972 56.048 -0.056 0.000 1.243 197 H CB -0.908 28.820 29.762 -0.056 0.000 1.377 197 H HN 0.204 nan 8.280 nan 0.000 0.581 198 D N 0.930 121.149 120.400 -0.301 0.000 2.350 198 D HA 0.107 4.746 4.640 -0.000 0.000 0.213 198 D C 1.549 177.861 176.300 0.020 0.000 1.031 198 D CA 0.854 54.805 54.000 -0.082 0.000 0.861 198 D CB 0.460 41.258 40.800 -0.002 0.000 0.926 198 D HN 0.571 nan 8.370 nan 0.000 0.520 199 G N 2.063 110.914 108.800 0.084 0.000 2.581 199 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.291 199 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.291 199 G C 0.696 175.695 174.900 0.165 0.000 1.277 199 G CA 0.420 45.613 45.100 0.155 0.000 0.959 199 G HN 0.145 nan 8.290 nan 0.000 0.554 200 D N 0.511 120.955 120.400 0.073 0.000 2.182 200 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 200 D C 2.768 179.064 176.300 -0.007 0.000 0.986 200 D CA 1.928 55.945 54.000 0.027 0.000 0.847 200 D CB -0.514 40.291 40.800 0.008 0.000 0.942 200 D HN 0.716 nan 8.370 nan 0.000 0.467 201 A N 1.161 123.956 122.820 -0.042 0.000 1.898 201 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 201 A C 2.428 179.903 177.584 -0.183 0.000 1.181 201 A CA 1.983 53.941 52.037 -0.130 0.000 0.620 201 A CB -1.037 17.851 19.000 -0.186 0.000 0.819 201 A HN 0.299 nan 8.150 nan 0.000 0.442 202 G N 0.100 108.845 108.800 -0.091 0.000 2.418 202 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 202 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 202 G C 1.527 176.528 174.900 0.168 0.000 1.158 202 G CA 1.167 46.289 45.100 0.038 0.000 0.771 202 G HN 0.477 nan 8.290 nan 0.000 0.545 203 I N 0.044 120.681 120.570 0.111 0.000 2.179 203 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 203 I C 2.827 178.963 176.117 0.032 0.000 1.088 203 I CA 1.269 62.570 61.300 0.002 0.000 1.357 203 I CB -0.223 37.710 38.000 -0.112 0.000 1.051 203 I HN 0.112 nan 8.210 nan 0.000 0.409 204 R N 1.394 121.896 120.500 0.004 0.000 2.081 204 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 204 R C 2.249 178.554 176.300 0.008 0.000 1.131 204 R CA 1.521 57.623 56.100 0.004 0.000 0.960 204 R CB -0.010 30.276 30.300 -0.024 0.000 0.856 204 R HN 0.281 nan 8.270 nan 0.000 0.436 205 K N -0.058 120.326 120.400 -0.026 0.000 2.057 205 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 205 K C 1.652 178.359 176.600 0.177 0.000 1.050 205 K CA 1.507 57.804 56.287 0.016 0.000 0.935 205 K CB -0.026 32.364 32.500 -0.183 0.000 0.715 205 K HN 0.231 nan 8.250 nan 0.000 0.439 206 D N 0.482 121.045 120.400 0.270 0.000 2.183 206 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 206 D C 1.772 178.158 176.300 0.143 0.000 0.969 206 D CA 0.796 54.961 54.000 0.276 0.000 0.842 206 D CB 0.079 41.073 40.800 0.323 0.000 0.957 206 D HN 0.171 nan 8.370 nan 0.000 0.484 207 A N 1.077 123.962 122.820 0.108 0.000 1.930 207 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 207 A C 2.296 179.852 177.584 -0.047 0.000 1.175 207 A CA 1.745 53.831 52.037 0.082 0.000 0.627 207 A CB -0.434 18.650 19.000 0.139 0.000 0.815 207 A HN 0.213 nan 8.150 nan 0.000 0.443 208 A N -0.555 122.247 122.820 -0.030 0.000 1.930 208 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 208 A C 2.231 179.746 177.584 -0.114 0.000 1.175 208 A CA 1.720 53.698 52.037 -0.098 0.000 0.627 208 A CB -0.524 18.456 19.000 -0.035 0.000 0.815 208 A HN 0.618 nan 8.150 nan 0.000 0.443 209 M N -0.285 119.302 119.600 -0.022 0.000 2.117 209 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 209 M C 1.816 178.081 176.300 -0.058 0.000 1.065 209 M CA 1.884 57.186 55.300 0.004 0.000 1.114 209 M CB -0.181 32.485 32.600 0.109 0.000 1.361 209 M HN 0.204 nan 8.290 nan 0.000 0.408 210 V N 0.830 120.688 119.914 -0.093 0.000 2.358 210 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 210 V C 2.724 178.624 176.094 -0.322 0.000 1.047 210 V CA 1.803 64.027 62.300 -0.127 0.000 1.035 210 V CB -1.380 30.416 31.823 -0.045 0.000 0.658 210 V HN 0.648 nan 8.190 nan 0.000 0.452 211 A N 0.249 122.646 122.820 -0.704 0.000 1.908 211 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 211 A C 2.031 179.380 177.584 -0.392 0.000 1.181 211 A CA 2.336 53.749 52.037 -1.041 0.000 0.627 211 A CB -0.760 17.484 19.000 -1.260 0.000 0.818 211 A HN 0.628 nan 8.150 nan 0.000 0.445 212 D N -1.140 119.110 120.400 -0.250 0.000 2.104 212 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 212 D C 1.921 178.172 176.300 -0.082 0.000 0.994 212 D CA 1.662 55.588 54.000 -0.124 0.000 0.830 212 D CB -0.131 40.620 40.800 -0.081 0.000 0.959 212 D HN 0.250 nan 8.370 nan 0.000 0.452 213 M N -0.081 119.477 119.600 -0.070 0.000 2.254 213 M HA -0.018 4.462 4.480 -0.000 0.000 0.265 213 M C 2.172 178.477 176.300 0.008 0.000 1.066 213 M CA 0.781 56.069 55.300 -0.020 0.000 1.123 213 M CB -0.753 31.855 32.600 0.012 0.000 1.388 213 M HN 0.044 nan 8.290 nan 0.000 0.425 214 R N 1.094 121.590 120.500 -0.006 0.000 2.081 214 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 214 R C 1.906 178.234 176.300 0.047 0.000 1.131 214 R CA 1.925 58.060 56.100 0.058 0.000 0.960 214 R CB -0.588 29.773 30.300 0.102 0.000 0.856 214 R HN 0.254 nan 8.270 nan 0.000 0.436 215 E N 0.569 120.774 120.200 0.009 0.000 2.051 215 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 215 E C 1.503 178.101 176.600 -0.003 0.000 0.991 215 E CA 1.839 58.245 56.400 0.010 0.000 0.799 215 E CB -0.019 29.676 29.700 -0.009 0.000 0.748 215 E HN 0.420 nan 8.360 nan 0.000 0.449 216 K N -1.038 119.350 120.400 -0.020 0.000 2.217 216 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 216 K C 1.917 178.480 176.600 -0.061 0.000 1.051 216 K CA 1.137 57.400 56.287 -0.040 0.000 0.952 216 K CB 0.037 32.507 32.500 -0.050 0.000 0.736 216 K HN 0.230 nan 8.250 nan 0.000 0.453 217 C N 0.055 119.332 119.300 -0.039 0.000 2.912 217 C HA 0.314 4.773 4.460 -0.000 0.000 0.274 217 C C 1.016 176.009 174.990 0.005 0.000 1.248 217 C CA -0.108 58.865 59.018 -0.074 0.000 1.694 217 C CB -0.684 27.049 27.740 -0.011 0.000 2.024 217 C HN 0.694 nan 8.230 nan 0.000 0.605 218 G N 2.012 110.836 108.800 0.040 0.000 2.756 218 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.678 218 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.678 218 G C -1.685 173.278 174.900 0.105 0.000 1.349 218 G CA -0.049 45.086 45.100 0.058 0.000 0.847 218 G HN 0.051 nan 8.290 nan 0.000 0.548 219 P HA 0.075 nan 4.420 nan 0.000 0.222 219 P C 0.623 178.004 177.300 0.136 0.000 1.153 219 P CA 1.616 64.781 63.100 0.108 0.000 0.798 219 P CB 0.192 31.940 31.700 0.079 0.000 0.796 220 D N -1.061 119.420 120.400 0.136 0.000 2.346 220 D HA 0.023 4.663 4.640 -0.000 0.000 0.206 220 D C 0.436 176.827 176.300 0.151 0.000 1.001 220 D CA 0.020 54.109 54.000 0.147 0.000 0.871 220 D CB -0.444 40.411 40.800 0.092 0.000 0.943 220 D HN 0.162 nan 8.370 nan 0.000 0.518 221 F N 2.230 122.178 119.950 -0.004 0.000 2.472 221 F HA 0.151 4.678 4.527 -0.000 0.000 0.364 221 F C -0.021 175.818 175.800 0.065 0.000 1.090 221 F CA -1.184 56.772 58.000 -0.073 0.000 1.188 221 F CB 0.410 39.379 39.000 -0.051 0.000 1.105 221 F HN -0.179 nan 8.300 nan 0.000 0.536 222 W N 7.538 128.469 121.300 -0.614 0.000 2.170 222 W HA 0.409 5.069 4.660 0.000 0.000 0.336 222 W C -0.777 175.393 176.519 -0.582 0.000 1.283 222 W CA -1.047 55.975 57.345 -0.538 0.000 1.224 222 W CB -0.067 29.038 29.460 -0.592 0.000 1.132 222 W HN 0.333 nan 8.180 nan 0.000 0.571 223 L N 3.676 124.807 121.223 -0.153 0.000 2.408 223 L HA 0.512 4.852 4.340 -0.000 0.000 0.268 223 L C -0.454 176.210 176.870 -0.344 0.000 0.986 223 L CA -1.006 53.725 54.840 -0.182 0.000 0.820 223 L CB 1.585 43.627 42.059 -0.028 0.000 1.303 223 L HN 0.215 nan 8.230 nan 0.000 0.411 224 M N 3.538 122.879 119.600 -0.432 0.000 2.593 224 M HA 0.605 5.085 4.480 -0.000 0.000 0.290 224 M C -1.111 175.025 176.300 -0.273 0.000 1.244 224 M CA -0.126 54.807 55.300 -0.612 0.000 0.857 224 M CB 2.422 34.187 32.600 -1.392 0.000 1.738 224 M HN 0.282 nan 8.290 nan 0.000 0.461 225 L N 0.825 121.963 121.223 -0.142 0.000 2.346 225 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 225 L C -1.038 175.934 176.870 0.170 0.000 1.006 225 L CA -0.641 54.225 54.840 0.043 0.000 0.817 225 L CB 1.806 43.919 42.059 0.089 0.000 1.272 225 L HN 0.638 nan 8.230 nan 0.000 0.421 226 D N 1.816 122.347 120.400 0.218 0.000 2.256 226 D HA 0.230 4.870 4.640 -0.000 0.000 0.240 226 D C -0.133 176.350 176.300 0.305 0.000 1.062 226 D CA -0.426 53.770 54.000 0.327 0.000 0.832 226 D CB 2.010 43.037 40.800 0.378 0.000 1.135 226 D HN 0.573 nan 8.370 nan 0.000 0.484 227 C N 3.083 122.582 119.300 0.331 0.000 3.038 227 C HA 0.138 4.598 4.460 -0.000 0.000 0.279 227 C C 0.587 175.801 174.990 0.374 0.000 1.276 227 C CA -0.872 58.331 59.018 0.308 0.000 1.697 227 C CB -2.037 25.864 27.740 0.269 0.000 2.032 227 C HN 0.877 nan 8.230 nan 0.000 0.636 228 W N 2.143 123.565 121.300 0.204 0.000 7.479 228 W HA -0.306 4.354 4.660 0.000 0.000 0.423 228 W C 0.907 177.500 176.519 0.122 0.000 1.709 228 W CA 0.923 58.385 57.345 0.196 0.000 1.205 228 W CB -1.385 28.180 29.460 0.175 0.000 2.942 228 W HN 0.606 nan 8.180 nan 0.000 1.617 229 M N -0.370 119.254 119.600 0.040 0.000 2.763 229 M HA -0.395 4.085 4.480 -0.000 0.000 0.178 229 M C 1.492 177.786 176.300 -0.009 0.000 0.620 229 M CA 1.575 56.834 55.300 -0.068 0.000 0.594 229 M CB -2.181 30.224 32.600 -0.326 0.000 2.167 229 M HN 0.426 nan 8.290 nan 0.000 0.512 230 S N -1.802 113.960 115.700 0.102 0.000 2.593 230 S HA 0.153 4.623 4.470 -0.000 0.000 0.217 230 S C 0.621 175.247 174.600 0.044 0.000 0.966 230 S CA 0.069 58.325 58.200 0.093 0.000 0.914 230 S CB 0.339 63.638 63.200 0.164 0.000 0.776 230 S HN 0.721 nan 8.310 nan 0.000 0.523 231 Q N 0.834 120.665 119.800 0.053 0.000 2.990 231 Q HA 0.583 4.923 4.340 -0.000 0.000 0.255 231 Q C -1.429 174.582 176.000 0.018 0.000 1.040 231 Q CA -1.102 54.734 55.803 0.055 0.000 0.897 231 Q CB 0.644 29.521 28.738 0.232 0.000 1.429 231 Q HN 0.460 nan 8.270 nan 0.000 0.497 232 D N -1.682 118.754 120.400 0.060 0.000 2.566 232 D HA 0.209 4.849 4.640 -0.000 0.000 0.254 232 D C 0.534 176.861 176.300 0.045 0.000 1.090 232 D CA -0.825 53.185 54.000 0.016 0.000 1.034 232 D CB 0.624 41.432 40.800 0.013 0.000 1.434 232 D HN 0.213 nan 8.370 nan 0.000 0.509 233 V N 0.531 120.447 119.914 0.002 0.000 2.282 233 V HA -0.286 3.833 4.120 -0.000 0.000 0.249 233 V C 2.265 178.391 176.094 0.054 0.000 1.057 233 V CA 2.560 64.867 62.300 0.012 0.000 1.032 233 V CB -1.178 30.641 31.823 -0.007 0.000 0.645 233 V HN 0.734 nan 8.190 nan 0.000 0.447 234 N N -0.678 118.061 118.700 0.065 0.000 2.084 234 N HA -0.230 4.510 4.740 -0.000 0.000 0.190 234 N C 1.854 177.425 175.510 0.102 0.000 1.030 234 N CA 1.765 54.857 53.050 0.070 0.000 0.849 234 N CB -0.390 38.137 38.487 0.066 0.000 1.012 234 N HN 0.546 nan 8.380 nan 0.000 0.423 235 Y N 0.618 120.935 120.300 0.028 0.000 2.145 235 Y HA -0.061 4.489 4.550 -0.000 0.000 0.286 235 Y C 2.264 178.202 175.900 0.063 0.000 1.145 235 Y CA 1.797 59.923 58.100 0.043 0.000 1.148 235 Y CB -0.701 37.784 38.460 0.043 0.000 0.981 235 Y HN 0.195 nan 8.280 nan 0.000 0.507 236 A N -0.946 121.971 122.820 0.161 0.000 1.902 236 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 236 A C 2.231 179.848 177.584 0.055 0.000 1.181 236 A CA 2.267 54.366 52.037 0.103 0.000 0.623 236 A CB -1.303 17.767 19.000 0.116 0.000 0.818 236 A HN 0.497 nan 8.150 nan 0.000 0.443 237 T N -0.010 114.585 114.554 0.069 0.000 2.708 237 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 237 T C 1.941 176.720 174.700 0.132 0.000 1.037 237 T CA 1.782 63.955 62.100 0.121 0.000 1.146 237 T CB -0.199 68.722 68.868 0.089 0.000 0.865 237 T HN 0.561 nan 8.240 nan 0.000 0.435 238 K N 0.470 120.872 120.400 0.003 0.000 2.057 238 K HA -0.018 4.302 4.320 -0.000 0.000 0.207 238 K C 2.183 178.752 176.600 -0.051 0.000 1.049 238 K CA 0.875 57.139 56.287 -0.039 0.000 0.931 238 K CB -0.363 32.066 32.500 -0.119 0.000 0.714 238 K HN 0.113 nan 8.250 nan 0.000 0.440 239 L N 1.173 122.302 121.223 -0.156 0.000 2.046 239 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 239 L C 2.191 179.065 176.870 0.007 0.000 1.077 239 L CA 1.799 56.573 54.840 -0.111 0.000 0.747 239 L CB -0.758 41.212 42.059 -0.148 0.000 0.896 239 L HN 0.138 nan 8.230 nan 0.000 0.432 240 A N -1.354 121.482 122.820 0.027 0.000 1.883 240 A HA -0.260 4.059 4.320 -0.000 0.000 0.217 240 A C 2.266 179.815 177.584 -0.059 0.000 1.186 240 A CA 1.864 53.901 52.037 -0.000 0.000 0.624 240 A CB -1.042 17.951 19.000 -0.012 0.000 0.822 240 A HN 0.679 nan 8.150 nan 0.000 0.444 241 H N -0.787 118.277 119.070 -0.009 0.000 2.423 241 H HA -0.006 4.550 4.556 -0.000 0.000 0.297 241 H C 2.477 177.793 175.328 -0.021 0.000 1.075 241 H CA 1.256 57.292 56.048 -0.019 0.000 1.342 241 H CB -0.161 29.587 29.762 -0.024 0.000 1.395 241 H HN 0.553 nan 8.280 nan 0.000 0.530 242 A N 0.208 123.087 122.820 0.099 0.000 2.015 242 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 242 A C 2.486 180.151 177.584 0.134 0.000 1.163 242 A CA 1.130 53.221 52.037 0.090 0.000 0.646 242 A CB -0.614 18.432 19.000 0.078 0.000 0.806 242 A HN 0.448 nan 8.150 nan 0.000 0.448 243 C N -1.325 118.048 119.300 0.121 0.000 2.673 243 C HA 0.403 4.863 4.460 -0.000 0.000 0.264 243 C C 3.007 178.026 174.990 0.049 0.000 1.304 243 C CA -0.177 58.971 59.018 0.216 0.000 1.727 243 C CB -1.028 26.812 27.740 0.168 0.000 1.932 243 C HN 0.710 nan 8.230 nan 0.000 0.563 244 A N 2.384 125.157 122.820 -0.078 0.000 1.917 244 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 244 A C 0.064 177.505 177.584 -0.239 0.000 1.182 244 A CA 1.817 53.769 52.037 -0.142 0.000 0.633 244 A CB -1.725 17.180 19.000 -0.157 0.000 0.819 244 A HN 0.445 nan 8.150 nan 0.000 0.448 245 P HA -0.090 nan 4.420 nan 0.000 0.223 245 P C 0.266 177.113 177.300 -0.755 0.000 1.144 245 P CA 0.829 63.531 63.100 -0.664 0.000 0.783 245 P CB -0.104 31.045 31.700 -0.917 0.000 0.771 246 F N -2.450 117.498 119.950 -0.002 0.000 2.639 246 F HA 0.300 4.827 4.527 -0.000 0.000 0.302 246 F C 0.705 176.502 175.800 -0.005 0.000 1.097 246 F CA -0.773 57.228 58.000 0.003 0.000 1.294 246 F CB -1.269 37.736 39.000 0.008 0.000 1.027 246 F HN -0.174 nan 8.300 nan 0.000 0.550 247 N N 1.551 120.267 118.700 0.028 0.000 2.714 247 N HA -0.244 4.496 4.740 -0.000 0.000 0.253 247 N C -0.452 175.064 175.510 0.010 0.000 1.024 247 N CA 0.028 53.083 53.050 0.007 0.000 0.726 247 N CB -1.251 37.246 38.487 0.017 0.000 0.908 247 N HN 0.297 nan 8.380 nan 0.000 0.542 248 L N 0.740 121.975 121.223 0.020 0.000 2.513 248 L HA 0.103 4.442 4.340 -0.000 0.000 0.272 248 L C 1.661 178.481 176.870 -0.083 0.000 1.187 248 L CA 0.749 55.576 54.840 -0.022 0.000 0.895 248 L CB 0.432 42.498 42.059 0.011 0.000 1.147 248 L HN 0.337 nan 8.230 nan 0.000 0.483 249 K N 4.249 124.540 120.400 -0.182 0.000 2.025 249 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 249 K C -0.493 176.105 176.600 -0.004 0.000 1.049 249 K CA 1.618 57.778 56.287 -0.211 0.000 0.933 249 K CB 0.114 32.343 32.500 -0.453 0.000 0.714 249 K HN 0.771 nan 8.250 nan 0.000 0.438 250 W N -0.879 120.354 121.300 -0.112 0.000 3.066 250 W HA 0.463 5.123 4.660 -0.000 0.000 0.330 250 W C -1.988 174.526 176.519 -0.008 0.000 1.253 250 W CA -1.339 55.968 57.345 -0.062 0.000 1.187 250 W CB 0.358 29.778 29.460 -0.067 0.000 1.434 250 W HN -0.184 nan 8.180 nan 0.000 0.572 251 I N 2.650 123.483 120.570 0.438 0.000 2.418 251 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 251 I C -0.688 175.686 176.117 0.428 0.000 1.008 251 I CA -0.677 60.830 61.300 0.346 0.000 1.104 251 I CB 1.388 39.510 38.000 0.203 0.000 1.264 251 I HN 0.684 nan 8.210 nan 0.000 0.438 252 E N 6.726 127.212 120.200 0.477 0.000 2.179 252 E HA 0.179 4.529 4.350 -0.000 0.000 0.275 252 E C -0.190 176.613 176.600 0.339 0.000 0.945 252 E CA -0.480 56.158 56.400 0.397 0.000 0.792 252 E CB 1.136 31.152 29.700 0.527 0.000 1.125 252 E HN 0.671 nan 8.360 nan 0.000 0.397 253 E N 2.936 123.323 120.200 0.311 0.000 2.183 253 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 253 E C -0.091 176.688 176.600 0.299 0.000 1.364 253 E CA 0.246 56.849 56.400 0.338 0.000 0.700 253 E CB -1.318 28.544 29.700 0.270 0.000 1.106 253 E HN 0.700 nan 8.360 nan 0.000 0.347 254 C N 0.593 120.069 119.300 0.294 0.000 2.432 254 C HA 0.031 4.491 4.460 -0.000 0.000 0.280 254 C C 1.162 176.167 174.990 0.026 0.000 1.353 254 C CA 0.347 59.461 59.018 0.159 0.000 1.766 254 C CB -0.664 27.150 27.740 0.123 0.000 1.924 254 C HN 0.385 nan 8.230 nan 0.000 0.509 255 L N -0.695 120.475 121.223 -0.089 0.000 2.323 255 L HA 0.460 4.800 4.340 -0.000 0.000 0.265 255 L C -2.612 174.202 176.870 -0.094 0.000 1.012 255 L CA -2.154 52.548 54.840 -0.229 0.000 0.820 255 L CB 0.660 42.335 42.059 -0.640 0.000 1.334 255 L HN -0.364 nan 8.230 nan 0.000 0.427 256 P HA 0.021 nan 4.420 nan 0.000 0.268 256 P C -1.918 175.304 177.300 -0.130 0.000 1.208 256 P CA -0.814 62.179 63.100 -0.178 0.000 0.777 256 P CB 0.152 31.734 31.700 -0.196 0.000 0.875 257 P HA -0.201 nan 4.420 nan 0.000 0.218 257 P C 0.805 177.839 177.300 -0.443 0.000 1.148 257 P CA 1.747 64.608 63.100 -0.399 0.000 0.822 257 P CB 0.053 31.264 31.700 -0.816 0.000 0.784 258 Q N -0.264 119.313 119.800 -0.372 0.000 2.436 258 Q HA -0.036 4.304 4.340 -0.000 0.000 0.209 258 Q C 1.307 177.068 176.000 -0.398 0.000 0.965 258 Q CA 0.774 56.347 55.803 -0.384 0.000 0.910 258 Q CB -0.759 27.875 28.738 -0.173 0.000 0.980 258 Q HN 0.491 nan 8.270 nan 0.000 0.491 259 Q N 0.120 119.749 119.800 -0.284 0.000 3.254 259 Q HA 0.036 4.376 4.340 -0.000 0.000 0.315 259 Q C -0.097 175.879 176.000 -0.040 0.000 1.405 259 Q CA -0.215 55.491 55.803 -0.161 0.000 0.966 259 Q CB -0.052 28.575 28.738 -0.186 0.000 1.706 259 Q HN 0.428 nan 8.270 nan 0.000 0.525 260 Y N 0.343 120.743 120.300 0.166 0.000 2.181 260 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 260 Y C 1.819 177.797 175.900 0.130 0.000 1.146 260 Y CA 1.242 59.451 58.100 0.183 0.000 1.164 260 Y CB 0.057 38.569 38.460 0.087 0.000 0.982 260 Y HN 0.361 nan 8.280 nan 0.000 0.515 261 E N -0.401 119.931 120.200 0.221 0.000 2.110 261 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 261 E C 2.530 179.176 176.600 0.077 0.000 0.988 261 E CA 1.237 57.712 56.400 0.125 0.000 0.804 261 E CB -0.728 29.022 29.700 0.083 0.000 0.745 261 E HN 0.494 nan 8.360 nan 0.000 0.458 262 G N -0.579 108.233 108.800 0.021 0.000 2.408 262 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 262 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 262 G C 1.228 176.094 174.900 -0.056 0.000 1.150 262 G CA 0.480 45.543 45.100 -0.062 0.000 0.776 262 G HN 0.261 nan 8.290 nan 0.000 0.542 263 Y N 0.376 120.698 120.300 0.037 0.000 2.224 263 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 263 Y C 3.008 178.934 175.900 0.044 0.000 1.146 263 Y CA 1.567 59.692 58.100 0.042 0.000 1.182 263 Y CB -0.026 38.460 38.460 0.044 0.000 0.983 263 Y HN 0.103 nan 8.280 nan 0.000 0.524 264 R N 0.772 121.393 120.500 0.202 0.000 2.073 264 R HA -0.230 4.110 4.340 -0.000 0.000 0.234 264 R C 2.198 178.552 176.300 0.089 0.000 1.134 264 R CA 2.014 58.188 56.100 0.125 0.000 0.952 264 R CB -0.325 30.034 30.300 0.099 0.000 0.850 264 R HN 0.417 nan 8.270 nan 0.000 0.433 265 E N 0.094 120.336 120.200 0.071 0.000 2.077 265 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 265 E C 1.996 178.630 176.600 0.056 0.000 0.989 265 E CA 1.138 57.568 56.400 0.050 0.000 0.800 265 E CB -0.071 29.647 29.700 0.030 0.000 0.746 265 E HN 0.293 nan 8.360 nan 0.000 0.452 266 L N 1.635 122.893 121.223 0.059 0.000 2.017 266 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 266 L C 2.288 179.215 176.870 0.094 0.000 1.073 266 L CA 2.015 56.897 54.840 0.071 0.000 0.745 266 L CB -0.576 41.519 42.059 0.060 0.000 0.894 266 L HN -0.010 nan 8.230 nan 0.000 0.432 267 K N -0.045 120.420 120.400 0.108 0.000 2.097 267 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 267 K C 2.177 178.817 176.600 0.066 0.000 1.049 267 K CA 1.603 57.943 56.287 0.088 0.000 0.933 267 K CB -0.232 32.318 32.500 0.084 0.000 0.717 267 K HN 0.334 nan 8.250 nan 0.000 0.442 268 R N -0.098 120.440 120.500 0.064 0.000 2.115 268 R HA 0.010 4.350 4.340 -0.000 0.000 0.230 268 R C 1.341 177.680 176.300 0.065 0.000 1.111 268 R CA 1.387 57.519 56.100 0.053 0.000 0.976 268 R CB -0.238 30.089 30.300 0.045 0.000 0.870 268 R HN 0.243 nan 8.270 nan 0.000 0.445 269 N N 0.321 119.070 118.700 0.082 0.000 2.412 269 N HA 0.058 4.798 4.740 -0.000 0.000 0.184 269 N C -0.127 175.498 175.510 0.191 0.000 1.101 269 N CA 0.324 53.448 53.050 0.123 0.000 0.881 269 N CB 0.240 38.792 38.487 0.108 0.000 0.969 269 N HN 0.143 nan 8.380 nan 0.000 0.459 270 A N 1.675 124.556 122.820 0.101 0.000 2.483 270 A HA 0.310 4.630 4.320 -0.000 0.000 0.238 270 A C -2.039 175.508 177.584 -0.061 0.000 1.070 270 A CA -0.755 51.294 52.037 0.021 0.000 0.770 270 A CB -0.317 18.694 19.000 0.019 0.000 1.008 270 A HN 0.016 nan 8.150 nan 0.000 0.497 271 P HA 0.255 nan 4.420 nan 0.000 0.268 271 P C -0.097 177.137 177.300 -0.110 0.000 1.205 271 P CA 0.377 63.299 63.100 -0.296 0.000 0.771 271 P CB 0.535 31.980 31.700 -0.425 0.000 0.858 272 A N 3.033 125.819 122.820 -0.056 0.000 2.567 272 A HA 0.368 4.688 4.320 -0.000 0.000 0.240 272 A C 1.641 179.200 177.584 -0.042 0.000 1.053 272 A CA 0.877 52.895 52.037 -0.032 0.000 0.755 272 A CB -1.427 17.563 19.000 -0.017 0.000 0.978 272 A HN 0.895 nan 8.150 nan 0.000 0.507 273 G N 1.285 110.066 108.800 -0.031 0.000 2.234 273 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 273 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 273 G C 0.403 175.280 174.900 -0.037 0.000 0.987 273 G CA 0.622 45.702 45.100 -0.034 0.000 0.625 273 G HN 1.155 nan 8.290 nan 0.000 0.532 274 M N 1.767 121.344 119.600 -0.039 0.000 2.180 274 M HA 0.684 5.164 4.480 -0.000 0.000 0.358 274 M C 0.687 176.996 176.300 0.015 0.000 1.233 274 M CA -0.314 54.973 55.300 -0.022 0.000 1.114 274 M CB 0.428 33.000 32.600 -0.047 0.000 1.594 274 M HN 0.240 nan 8.290 nan 0.000 0.467 275 M N 3.796 123.432 119.600 0.061 0.000 2.288 275 M HA 0.439 4.919 4.480 -0.000 0.000 0.334 275 M C -0.927 175.441 176.300 0.114 0.000 1.150 275 M CA -0.816 54.527 55.300 0.073 0.000 1.118 275 M CB 1.566 34.207 32.600 0.068 0.000 1.501 275 M HN 0.390 nan 8.290 nan 0.000 0.462 276 V N 1.257 121.209 119.914 0.062 0.000 2.448 276 V HA 0.564 4.684 4.120 -0.000 0.000 0.295 276 V C 0.058 176.146 176.094 -0.010 0.000 1.025 276 V CA -0.528 61.826 62.300 0.089 0.000 0.859 276 V CB 1.703 33.598 31.823 0.119 0.000 0.988 276 V HN 1.024 nan 8.190 nan 0.000 0.431 277 T N 1.254 115.789 114.554 -0.032 0.000 2.907 277 T HA 0.904 5.254 4.350 -0.000 0.000 0.290 277 T C -0.454 174.184 174.700 -0.103 0.000 1.066 277 T CA -0.593 61.400 62.100 -0.178 0.000 1.012 277 T CB 2.202 70.789 68.868 -0.468 0.000 1.184 277 T HN 0.849 nan 8.240 nan 0.000 0.522 278 S N -1.815 113.788 115.700 -0.161 0.000 2.663 278 S HA 0.631 5.101 4.470 -0.000 0.000 0.264 278 S C 0.328 174.891 174.600 -0.063 0.000 1.112 278 S CA 0.477 58.609 58.200 -0.114 0.000 0.823 278 S CB 0.725 63.661 63.200 -0.441 0.000 1.111 278 S HN 2.412 nan 8.310 nan 0.000 0.476 279 G N 1.316 110.166 108.800 0.083 0.000 2.480 279 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.193 279 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.193 279 G C 0.705 175.798 174.900 0.323 0.000 1.004 279 G CA 1.029 46.240 45.100 0.185 0.000 0.696 279 G HN 1.041 nan 8.290 nan 0.000 0.478 280 E N 0.075 120.399 120.200 0.206 0.000 2.209 280 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 280 E C 1.432 178.083 176.600 0.085 0.000 0.993 280 E CA 1.246 57.708 56.400 0.103 0.000 0.819 280 E CB -0.346 29.324 29.700 -0.049 0.000 0.745 280 E HN 0.577 nan 8.360 nan 0.000 0.477 281 H N -0.311 118.867 119.070 0.179 0.000 2.586 281 H HA 0.194 4.750 4.556 -0.000 0.000 0.273 281 H C 0.067 175.344 175.328 -0.085 0.000 0.997 281 H CA -0.008 56.054 56.048 0.024 0.000 1.177 281 H CB 0.200 29.847 29.762 -0.191 0.000 1.471 281 H HN 0.224 nan 8.280 nan 0.000 0.538 282 H N 0.092 119.207 119.070 0.075 0.000 2.505 282 H HA 0.427 4.983 4.556 -0.000 0.000 0.351 282 H C 0.541 175.964 175.328 0.159 0.000 1.151 282 H CA 0.038 56.030 56.048 -0.094 0.000 1.339 282 H CB 1.962 31.333 29.762 -0.652 0.000 1.483 282 H HN 0.308 nan 8.280 nan 0.000 0.558 283 G N 0.023 108.979 108.800 0.261 0.000 2.659 283 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 283 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 283 G C -0.806 174.281 174.900 0.312 0.000 1.369 283 G CA -0.264 45.046 45.100 0.350 0.000 0.937 283 G HN 0.909 nan 8.290 nan 0.000 0.485 284 T N -1.491 113.250 114.554 0.312 0.000 0.541 284 T HA -0.195 4.155 4.350 -0.000 0.000 0.774 284 T C 0.714 175.603 174.700 0.314 0.000 0.992 284 T CA 0.417 62.654 62.100 0.228 0.000 4.077 284 T CB -0.878 68.068 68.868 0.130 0.000 2.303 284 T HN 1.784 nan 8.240 nan 0.000 0.398 285 L N 2.018 123.364 121.223 0.206 0.000 2.079 285 L HA 0.004 4.343 4.340 -0.000 0.000 0.210 285 L C 2.703 179.677 176.870 0.173 0.000 1.081 285 L CA 2.315 57.262 54.840 0.178 0.000 0.752 285 L CB -0.872 41.239 42.059 0.087 0.000 0.896 285 L HN 0.858 nan 8.230 nan 0.000 0.433 286 Q N -0.917 118.951 119.800 0.113 0.000 2.170 286 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 286 Q C 2.374 178.392 176.000 0.030 0.000 0.976 286 Q CA 1.761 57.596 55.803 0.053 0.000 0.858 286 Q CB -0.455 28.298 28.738 0.026 0.000 0.907 286 Q HN 0.490 nan 8.270 nan 0.000 0.433 287 S N -0.230 115.516 115.700 0.077 0.000 2.383 287 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 287 S C 1.384 175.909 174.600 -0.126 0.000 1.026 287 S CA 0.846 59.054 58.200 0.013 0.000 0.981 287 S CB -0.256 63.005 63.200 0.101 0.000 0.818 287 S HN 0.326 nan 8.310 nan 0.000 0.472 288 F N 1.719 121.657 119.950 -0.020 0.000 2.325 288 F HA 0.060 4.587 4.527 -0.000 0.000 0.299 288 F C 2.538 178.271 175.800 -0.111 0.000 1.090 288 F CA 0.562 58.513 58.000 -0.082 0.000 1.392 288 F CB -0.139 38.826 39.000 -0.057 0.000 1.053 288 F HN 0.053 nan 8.300 nan 0.000 0.521 289 R N 0.536 121.063 120.500 0.045 0.000 2.066 289 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 289 R C 1.807 178.040 176.300 -0.113 0.000 1.131 289 R CA 2.105 58.190 56.100 -0.026 0.000 0.955 289 R CB -0.990 29.294 30.300 -0.027 0.000 0.851 289 R HN 0.165 nan 8.270 nan 0.000 0.432 290 T N 2.297 116.724 114.554 -0.212 0.000 2.777 290 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 290 T C 1.793 176.279 174.700 -0.356 0.000 1.040 290 T CA 1.221 63.088 62.100 -0.388 0.000 1.141 290 T CB -0.285 68.136 68.868 -0.745 0.000 0.868 290 T HN 0.150 nan 8.240 nan 0.000 0.444 291 L N 1.559 122.608 121.223 -0.290 0.000 2.046 291 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 291 L C 2.616 179.403 176.870 -0.138 0.000 1.077 291 L CA 1.867 56.599 54.840 -0.181 0.000 0.747 291 L CB -1.043 40.740 42.059 -0.461 0.000 0.896 291 L HN 0.229 nan 8.230 nan 0.000 0.432 292 A N -0.993 121.762 122.820 -0.108 0.000 1.933 292 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 292 A C 2.127 179.674 177.584 -0.062 0.000 1.175 292 A CA 1.736 53.732 52.037 -0.069 0.000 0.628 292 A CB -0.635 18.341 19.000 -0.040 0.000 0.814 292 A HN 0.618 nan 8.150 nan 0.000 0.444 293 E N -0.433 119.724 120.200 -0.071 0.000 2.516 293 E HA -0.084 4.266 4.350 -0.000 0.000 0.199 293 E C 1.772 178.355 176.600 -0.028 0.000 1.069 293 E CA 1.003 57.370 56.400 -0.054 0.000 0.876 293 E CB -0.194 29.464 29.700 -0.070 0.000 0.843 293 E HN 0.873 nan 8.360 nan 0.000 0.530 294 T N -3.478 111.069 114.554 -0.012 0.000 3.055 294 T HA 0.108 4.458 4.350 -0.000 0.000 0.265 294 T C 1.624 176.344 174.700 0.034 0.000 1.111 294 T CA 0.647 62.773 62.100 0.044 0.000 1.118 294 T CB 0.395 69.332 68.868 0.116 0.000 0.909 294 T HN 0.240 nan 8.240 nan 0.000 0.501 295 G N 2.055 110.856 108.800 0.001 0.000 2.176 295 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.232 295 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.232 295 G C 0.174 175.069 174.900 -0.008 0.000 0.986 295 G CA -0.187 44.912 45.100 -0.001 0.000 0.643 295 G HN 1.095 nan 8.290 nan 0.000 0.522 296 I N -1.340 119.216 120.570 -0.022 0.000 2.872 296 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 296 I C 1.178 177.255 176.117 -0.066 0.000 1.216 296 I CA 0.263 61.536 61.300 -0.044 0.000 1.424 296 I CB 0.407 38.335 38.000 -0.121 0.000 1.351 296 I HN 0.004 nan 8.210 nan 0.000 0.592 297 D N 5.101 125.461 120.400 -0.066 0.000 2.097 297 D HA 0.034 4.674 4.640 -0.000 0.000 0.197 297 D C 0.533 176.762 176.300 -0.118 0.000 0.984 297 D CA 1.816 55.769 54.000 -0.079 0.000 0.826 297 D CB 0.204 40.965 40.800 -0.066 0.000 0.973 297 D HN 0.497 nan 8.370 nan 0.000 0.460 298 I N 0.684 121.151 120.570 -0.172 0.000 2.569 298 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 298 I C -0.422 175.582 176.117 -0.189 0.000 1.088 298 I CA -0.497 60.680 61.300 -0.205 0.000 1.047 298 I CB 2.428 40.239 38.000 -0.314 0.000 1.237 298 I HN -0.275 nan 8.210 nan 0.000 0.421 299 M N 5.353 124.883 119.600 -0.116 0.000 2.277 299 M HA 0.360 4.840 4.480 -0.000 0.000 0.350 299 M C -0.456 175.845 176.300 0.002 0.000 1.180 299 M CA -0.228 55.059 55.300 -0.022 0.000 1.103 299 M CB 1.159 33.824 32.600 0.108 0.000 1.577 299 M HN 0.486 nan 8.290 nan 0.000 0.459 300 Q N 3.229 123.078 119.800 0.082 0.000 2.773 300 Q HA 0.302 4.642 4.340 -0.000 0.000 0.373 300 Q C -2.393 173.720 176.000 0.188 0.000 0.940 300 Q CA -1.747 54.116 55.803 0.100 0.000 1.015 300 Q CB 0.449 29.240 28.738 0.088 0.000 1.349 300 Q HN 0.355 nan 8.270 nan 0.000 0.413 301 P HA -0.077 nan 4.420 nan 0.000 0.272 301 P C -0.661 176.683 177.300 0.074 0.000 1.223 301 P CA 0.137 63.343 63.100 0.176 0.000 0.784 301 P CB 1.145 32.715 31.700 -0.215 0.000 0.923 302 D N 1.574 121.989 120.400 0.026 0.000 2.303 302 D HA 0.092 4.732 4.640 -0.000 0.000 0.236 302 D C 1.278 177.525 176.300 -0.088 0.000 1.068 302 D CA -0.635 53.263 54.000 -0.169 0.000 0.830 302 D CB 1.688 41.997 40.800 -0.818 0.000 1.109 302 D HN -0.041 nan 8.370 nan 0.000 0.496 303 V N 3.889 123.775 119.914 -0.048 0.000 2.453 303 V HA -0.164 3.956 4.120 -0.000 0.000 0.252 303 V C 2.230 178.325 176.094 0.001 0.000 1.068 303 V CA 2.145 64.443 62.300 -0.004 0.000 1.070 303 V CB -0.492 31.341 31.823 0.018 0.000 0.664 303 V HN 0.756 nan 8.190 nan 0.000 0.461 304 G N -2.429 106.336 108.800 -0.058 0.000 2.985 304 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.209 304 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.209 304 G C 0.871 175.984 174.900 0.355 0.000 1.165 304 G CA 0.036 45.160 45.100 0.040 0.000 0.776 304 G HN 0.576 nan 8.290 nan 0.000 0.541 305 W N -0.962 120.397 121.300 0.098 0.000 2.782 305 W HA 0.198 4.858 4.660 -0.000 0.000 0.268 305 W C 2.081 178.672 176.519 0.119 0.000 1.043 305 W CA -0.525 56.878 57.345 0.096 0.000 1.387 305 W CB -1.173 28.334 29.460 0.078 0.000 0.904 305 W HN 0.250 nan 8.180 nan 0.000 0.625 306 C N -0.371 119.126 119.300 0.328 0.000 2.539 306 C HA 0.632 5.092 4.460 -0.000 0.000 0.268 306 C C 1.892 177.024 174.990 0.236 0.000 1.395 306 C CA 1.028 60.226 59.018 0.301 0.000 1.757 306 C CB -0.633 27.217 27.740 0.183 0.000 1.851 306 C HN 0.476 nan 8.230 nan 0.000 0.545 307 G N -0.952 107.976 108.800 0.214 0.000 2.613 307 G HA2 0.459 4.419 3.960 -0.000 0.000 0.199 307 G HA3 0.459 4.419 3.960 -0.000 0.000 0.199 307 G C 0.628 175.695 174.900 0.279 0.000 0.991 307 G CA 0.449 45.699 45.100 0.250 0.000 0.756 307 G HN 2.168 nan 8.290 nan 0.000 0.515 308 G N -1.019 107.878 108.800 0.162 0.000 2.422 308 G HA2 0.231 4.191 3.960 -0.000 0.000 0.607 308 G HA3 0.231 4.191 3.960 -0.000 0.000 0.607 308 G C 0.521 175.453 174.900 0.054 0.000 1.270 308 G CA -0.001 45.168 45.100 0.115 0.000 0.992 308 G HN 1.410 nan 8.290 nan 0.000 0.499 309 L N 0.201 121.459 121.223 0.057 0.000 2.083 309 L HA 0.091 4.431 4.340 -0.000 0.000 0.209 309 L C 2.977 179.805 176.870 -0.070 0.000 1.083 309 L CA 3.563 58.378 54.840 -0.042 0.000 0.752 309 L CB -0.997 40.928 42.059 -0.223 0.000 0.899 309 L HN 0.828 nan 8.230 nan 0.000 0.433 310 T N -1.038 113.512 114.554 -0.008 0.000 2.720 310 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 310 T C 1.698 176.340 174.700 -0.096 0.000 1.037 310 T CA 2.066 64.135 62.100 -0.052 0.000 1.144 310 T CB -0.475 68.192 68.868 -0.335 0.000 0.864 310 T HN 0.460 nan 8.240 nan 0.000 0.444 311 T N 2.026 116.523 114.554 -0.094 0.000 2.851 311 T HA 0.058 4.408 4.350 -0.000 0.000 0.262 311 T C 1.897 176.550 174.700 -0.080 0.000 1.043 311 T CA 0.579 62.674 62.100 -0.007 0.000 1.140 311 T CB -0.412 68.513 68.868 0.096 0.000 0.872 311 T HN 0.134 nan 8.240 nan 0.000 0.446 312 L N 1.704 122.887 121.223 -0.067 0.000 2.012 312 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 312 L C 2.364 179.179 176.870 -0.090 0.000 1.073 312 L CA 1.622 56.413 54.840 -0.082 0.000 0.748 312 L CB -0.795 41.285 42.059 0.035 0.000 0.891 312 L HN 0.071 nan 8.230 nan 0.000 0.431 313 V N -0.162 119.752 119.914 -0.001 0.000 2.490 313 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 313 V C 2.479 178.474 176.094 -0.166 0.000 1.061 313 V CA 2.032 64.315 62.300 -0.028 0.000 1.064 313 V CB -0.741 31.119 31.823 0.061 0.000 0.670 313 V HN 0.543 nan 8.190 nan 0.000 0.461 314 E N -0.026 120.103 120.200 -0.119 0.000 2.072 314 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 314 E C 2.192 178.686 176.600 -0.176 0.000 0.982 314 E CA 1.253 57.586 56.400 -0.112 0.000 0.803 314 E CB -0.169 29.500 29.700 -0.052 0.000 0.755 314 E HN 0.547 nan 8.360 nan 0.000 0.453 315 I N 1.377 121.801 120.570 -0.244 0.000 2.286 315 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 315 I C 2.555 178.478 176.117 -0.323 0.000 1.115 315 I CA 0.833 61.947 61.300 -0.309 0.000 1.392 315 I CB -0.311 37.367 38.000 -0.536 0.000 1.065 315 I HN 0.077 nan 8.210 nan 0.000 0.418 316 A N 0.813 123.361 122.820 -0.454 0.000 1.933 316 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 316 A C 2.541 179.879 177.584 -0.410 0.000 1.175 316 A CA 1.868 53.532 52.037 -0.622 0.000 0.628 316 A CB -0.724 17.433 19.000 -1.405 0.000 0.814 316 A HN 0.432 nan 8.150 nan 0.000 0.444 317 A N -0.552 122.082 122.820 -0.310 0.000 1.930 317 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 317 A C 2.093 179.591 177.584 -0.143 0.000 1.175 317 A CA 1.582 53.505 52.037 -0.190 0.000 0.627 317 A CB -0.569 18.352 19.000 -0.132 0.000 0.815 317 A HN 0.711 nan 8.150 nan 0.000 0.443 318 L N 0.089 121.228 121.223 -0.139 0.000 1.989 318 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 318 L C 2.597 179.409 176.870 -0.097 0.000 1.071 318 L CA 2.500 57.282 54.840 -0.096 0.000 0.749 318 L CB -1.017 40.996 42.059 -0.077 0.000 0.890 318 L HN 0.319 nan 8.230 nan 0.000 0.431 319 A N -0.693 122.050 122.820 -0.127 0.000 1.902 319 A HA -0.254 4.065 4.320 -0.000 0.000 0.217 319 A C 2.477 179.996 177.584 -0.109 0.000 1.181 319 A CA 1.936 53.903 52.037 -0.116 0.000 0.623 319 A CB -0.670 18.244 19.000 -0.143 0.000 0.818 319 A HN 0.541 nan 8.150 nan 0.000 0.443 320 K N 0.413 120.736 120.400 -0.129 0.000 2.097 320 K HA -0.146 4.173 4.320 -0.000 0.000 0.206 320 K C 2.221 178.778 176.600 -0.073 0.000 1.049 320 K CA 1.651 57.876 56.287 -0.102 0.000 0.933 320 K CB -0.180 32.251 32.500 -0.116 0.000 0.717 320 K HN 0.623 nan 8.250 nan 0.000 0.442 321 S N 0.292 115.949 115.700 -0.072 0.000 2.419 321 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 321 S C 1.612 176.185 174.600 -0.045 0.000 1.016 321 S CA 0.678 58.847 58.200 -0.052 0.000 0.974 321 S CB -0.191 62.980 63.200 -0.049 0.000 0.786 321 S HN 0.335 nan 8.310 nan 0.000 0.492 322 R N 0.681 121.150 120.500 -0.051 0.000 2.317 322 R HA 0.305 4.645 4.340 -0.000 0.000 0.208 322 R C 1.342 177.617 176.300 -0.042 0.000 0.914 322 R CA 0.348 56.422 56.100 -0.044 0.000 1.060 322 R CB -0.139 30.133 30.300 -0.047 0.000 1.015 322 R HN 0.554 nan 8.270 nan 0.000 0.498 323 G N 1.497 110.270 108.800 -0.044 0.000 2.160 323 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 323 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 323 G C -0.145 174.729 174.900 -0.044 0.000 1.008 323 G CA 0.201 45.278 45.100 -0.039 0.000 0.724 323 G HN 0.364 nan 8.290 nan 0.000 0.514 324 Q N -1.183 118.582 119.800 -0.059 0.000 2.297 324 Q HA 0.775 5.115 4.340 -0.000 0.000 0.269 324 Q C 0.535 176.481 176.000 -0.089 0.000 1.051 324 Q CA -1.018 54.744 55.803 -0.068 0.000 0.869 324 Q CB 1.645 30.340 28.738 -0.072 0.000 1.346 324 Q HN 0.312 nan 8.270 nan 0.000 0.457 325 L N 0.488 121.651 121.223 -0.100 0.000 2.399 325 L HA 0.580 4.920 4.340 -0.000 0.000 0.265 325 L C -0.560 176.213 176.870 -0.161 0.000 1.089 325 L CA -0.966 53.794 54.840 -0.133 0.000 0.802 325 L CB 1.026 42.995 42.059 -0.149 0.000 1.180 325 L HN 0.277 nan 8.230 nan 0.000 0.454 326 V N 1.818 121.623 119.914 -0.181 0.000 2.483 326 V HA 0.361 4.481 4.120 -0.000 0.000 0.297 326 V C -0.351 175.645 176.094 -0.164 0.000 1.027 326 V CA -0.571 61.627 62.300 -0.170 0.000 0.855 326 V CB 1.976 33.678 31.823 -0.200 0.000 0.995 326 V HN 0.428 nan 8.190 nan 0.000 0.424 327 V N 6.449 126.271 119.914 -0.153 0.000 2.327 327 V HA 0.331 4.450 4.120 -0.000 0.000 0.272 327 V C -2.429 173.670 176.094 0.008 0.000 1.019 327 V CA -1.755 60.475 62.300 -0.117 0.000 0.814 327 V CB 1.390 33.113 31.823 -0.166 0.000 1.040 327 V HN 0.699 nan 8.190 nan 0.000 0.440 328 P HA -0.017 nan 4.420 nan 0.000 0.267 328 P C -0.047 177.320 177.300 0.112 0.000 1.201 328 P CA 0.189 63.333 63.100 0.073 0.000 0.775 328 P CB 0.299 32.044 31.700 0.076 0.000 0.854 329 H N 2.026 121.092 119.070 -0.007 0.000 2.732 329 H HA 0.126 4.681 4.556 -0.000 0.000 0.351 329 H C 0.510 175.774 175.328 -0.105 0.000 1.090 329 H CA -0.033 55.988 56.048 -0.045 0.000 1.431 329 H CB 0.356 30.031 29.762 -0.146 0.000 1.447 329 H HN 0.520 nan 8.280 nan 0.000 0.582 330 G N 2.938 111.402 108.800 -0.560 0.000 2.225 330 G HA2 0.064 4.024 3.960 -0.000 0.000 0.245 330 G HA3 0.064 4.024 3.960 -0.000 0.000 0.245 330 G C -0.058 174.679 174.900 -0.271 0.000 1.249 330 G CA 0.009 44.880 45.100 -0.381 0.000 0.919 330 G HN 0.607 nan 8.290 nan 0.000 0.486 331 S N 1.267 116.896 115.700 -0.119 0.000 3.031 331 S HA 0.405 4.875 4.470 -0.000 0.000 0.253 331 S C 0.754 175.213 174.600 -0.235 0.000 0.996 331 S CA 0.407 58.616 58.200 0.014 0.000 1.098 331 S CB 0.123 63.407 63.200 0.140 0.000 1.042 331 S HN 1.247 nan 8.310 nan 0.000 0.593 332 S N 1.428 116.812 115.700 -0.527 0.000 3.525 332 S HA -0.277 4.193 4.470 -0.000 0.000 0.629 332 S C 1.576 175.552 174.600 -1.040 0.000 2.621 332 S CA 1.703 59.463 58.200 -0.733 0.000 3.752 332 S CB -1.391 61.378 63.200 -0.719 0.000 0.260 332 S HN 1.190 nan 8.310 nan 0.000 1.214 333 V N 0.135 119.648 119.914 -0.668 0.000 2.370 333 V HA -0.169 3.951 4.120 -0.000 0.000 0.252 333 V C 1.954 177.889 176.094 -0.265 0.000 1.068 333 V CA 2.840 64.933 62.300 -0.345 0.000 1.061 333 V CB -1.720 29.987 31.823 -0.193 0.000 0.656 333 V HN 0.753 nan 8.190 nan 0.000 0.455 334 Y N 1.179 121.318 120.300 -0.268 0.000 2.333 334 Y HA -0.059 4.491 4.550 -0.000 0.000 0.290 334 Y C 3.111 178.923 175.900 -0.147 0.000 1.144 334 Y CA 1.472 59.272 58.100 -0.501 0.000 1.228 334 Y CB -0.889 37.285 38.460 -0.478 0.000 0.985 334 Y HN 0.400 nan 8.280 nan 0.000 0.542 335 S N -1.388 114.293 115.700 -0.032 0.000 2.441 335 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 335 S C 1.662 176.303 174.600 0.068 0.000 1.043 335 S CA 0.583 58.791 58.200 0.014 0.000 0.948 335 S CB -0.409 62.793 63.200 0.004 0.000 0.810 335 S HN 0.601 nan 8.310 nan 0.000 0.504 336 H N 0.158 119.263 119.070 0.058 0.000 2.289 336 H HA -0.101 4.455 4.556 -0.000 0.000 0.296 336 H C 2.039 177.286 175.328 -0.134 0.000 1.091 336 H CA 1.902 57.930 56.048 -0.032 0.000 1.274 336 H CB -0.311 29.437 29.762 -0.023 0.000 1.364 336 H HN 0.496 nan 8.280 nan 0.000 0.490 337 H N -0.154 119.015 119.070 0.165 0.000 2.489 337 H HA -0.019 4.537 4.556 -0.000 0.000 0.293 337 H C 2.229 177.510 175.328 -0.079 0.000 1.066 337 H CA 0.796 56.908 56.048 0.107 0.000 1.305 337 H CB 0.144 30.039 29.762 0.221 0.000 1.386 337 H HN 0.459 nan 8.280 nan 0.000 0.551 338 A N 0.863 123.635 122.820 -0.080 0.000 1.862 338 A HA -0.065 4.255 4.320 -0.000 0.000 0.211 338 A C 2.674 179.608 177.584 -1.083 0.000 1.220 338 A CA 1.273 53.002 52.037 -0.513 0.000 0.616 338 A CB -0.929 17.882 19.000 -0.315 0.000 0.878 338 A HN 0.252 nan 8.150 nan 0.000 0.453 339 V N -1.256 118.261 119.914 -0.661 0.000 2.469 339 V HA -0.191 3.929 4.120 -0.000 0.000 0.251 339 V C 2.162 178.021 176.094 -0.392 0.000 1.064 339 V CA 1.999 63.991 62.300 -0.513 0.000 1.066 339 V CB -0.874 30.854 31.823 -0.158 0.000 0.667 339 V HN 0.469 nan 8.190 nan 0.000 0.461 340 I N 1.928 122.284 120.570 -0.356 0.000 2.916 340 I HA -0.157 4.013 4.170 -0.000 0.000 0.267 340 I C 2.216 178.181 176.117 -0.253 0.000 1.263 340 I CA 1.769 62.878 61.300 -0.318 0.000 1.471 340 I CB -0.031 37.713 38.000 -0.426 0.000 1.089 340 I HN 0.684 nan 8.210 nan 0.000 0.468 341 T N -2.771 111.606 114.554 -0.295 0.000 3.054 341 T HA 0.155 4.505 4.350 -0.000 0.000 0.255 341 T C 0.309 175.021 174.700 0.020 0.000 1.035 341 T CA -0.343 61.673 62.100 -0.139 0.000 0.941 341 T CB -0.239 68.565 68.868 -0.107 0.000 1.026 341 T HN -0.052 nan 8.240 nan 0.000 0.533 342 F N 3.681 123.594 119.950 -0.062 0.000 2.404 342 F HA 0.396 4.923 4.527 0.000 0.000 0.358 342 F C 1.968 177.724 175.800 -0.073 0.000 1.120 342 F CA -1.644 56.315 58.000 -0.069 0.000 1.144 342 F CB 1.079 40.027 39.000 -0.087 0.000 1.133 342 F HN 0.165 nan 8.300 nan 0.000 0.495 343 T N -1.670 112.962 114.554 0.130 0.000 2.881 343 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 343 T C 1.043 175.756 174.700 0.022 0.000 1.068 343 T CA 1.250 63.379 62.100 0.048 0.000 1.131 343 T CB -0.322 68.561 68.868 0.025 0.000 0.871 343 T HN 0.506 nan 8.240 nan 0.000 0.479 344 N N 0.888 119.594 118.700 0.009 0.000 2.327 344 N HA 0.071 4.811 4.740 -0.000 0.000 0.231 344 N C -0.662 174.806 175.510 -0.071 0.000 1.130 344 N CA -0.303 52.721 53.050 -0.045 0.000 0.845 344 N CB 0.073 38.508 38.487 -0.087 0.000 1.073 344 N HN 0.250 nan 8.380 nan 0.000 0.496 345 T N 2.077 116.612 114.554 -0.032 0.000 3.410 345 T HA 0.253 4.603 4.350 -0.000 0.000 0.328 345 T C -1.984 172.628 174.700 -0.147 0.000 1.567 345 T CA -0.893 61.140 62.100 -0.111 0.000 1.626 345 T CB 1.906 70.801 68.868 0.045 0.000 0.939 345 T HN 0.094 nan 8.240 nan 0.000 0.656 346 P HA 0.027 nan 4.420 nan 0.000 0.230 346 P C -0.028 177.363 177.300 0.151 0.000 1.158 346 P CA 0.630 63.741 63.100 0.019 0.000 0.769 346 P CB -0.152 31.647 31.700 0.166 0.000 0.807 347 F N -3.518 116.486 119.950 0.090 0.000 2.713 347 F HA 0.716 5.243 4.527 -0.000 0.000 0.311 347 F C -0.830 175.011 175.800 0.067 0.000 1.141 347 F CA -1.253 56.792 58.000 0.075 0.000 0.939 347 F CB 0.489 39.664 39.000 0.293 0.000 1.325 347 F HN -0.439 nan 8.300 nan 0.000 0.453 348 S N -0.640 115.148 115.700 0.147 0.000 2.697 348 S HA 0.487 4.957 4.470 -0.000 0.000 0.289 348 S C -1.639 173.068 174.600 0.178 0.000 1.149 348 S CA -0.975 57.274 58.200 0.081 0.000 0.850 348 S CB 2.181 65.274 63.200 -0.178 0.000 1.151 348 S HN 0.834 nan 8.310 nan 0.000 0.491 349 E N 0.372 120.616 120.200 0.072 0.000 2.204 349 E HA 0.492 4.842 4.350 -0.000 0.000 0.276 349 E C -1.807 174.839 176.600 0.076 0.000 0.974 349 E CA -0.473 55.717 56.400 -0.350 0.000 0.815 349 E CB 0.810 30.273 29.700 -0.396 0.000 1.119 349 E HN 0.450 nan 8.360 nan 0.000 0.393 350 F N 6.074 125.872 119.950 -0.253 0.000 2.496 350 F HA 0.320 4.847 4.527 -0.000 0.000 0.341 350 F C -1.675 173.949 175.800 -0.293 0.000 1.134 350 F CA -1.093 56.740 58.000 -0.278 0.000 0.968 350 F CB 0.974 39.761 39.000 -0.355 0.000 1.205 350 F HN 0.414 nan 8.300 nan 0.000 0.436 351 L N 6.953 127.731 121.223 -0.741 0.000 2.290 351 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 351 L C -0.426 176.075 176.870 -0.615 0.000 1.078 351 L CA -0.199 54.346 54.840 -0.491 0.000 0.815 351 L CB 0.684 42.541 42.059 -0.338 0.000 1.162 351 L HN 0.523 nan 8.230 nan 0.000 0.435 352 M N 4.874 124.315 119.600 -0.264 0.000 2.292 352 M HA 0.101 4.581 4.480 -0.000 0.000 0.342 352 M C 1.078 177.559 176.300 0.302 0.000 1.538 352 M CA 0.225 55.470 55.300 -0.093 0.000 1.163 352 M CB 0.391 32.911 32.600 -0.133 0.000 1.823 352 M HN 0.813 nan 8.290 nan 0.000 0.462 353 T N -1.623 113.036 114.554 0.174 0.000 3.060 353 T HA 0.081 4.431 4.350 -0.000 0.000 0.249 353 T C 0.878 175.819 174.700 0.401 0.000 1.079 353 T CA -0.167 62.134 62.100 0.335 0.000 1.013 353 T CB -0.104 68.875 68.868 0.185 0.000 0.975 353 T HN 0.623 nan 8.240 nan 0.000 0.518 354 S N 2.177 118.019 115.700 0.237 0.000 2.564 354 S HA 0.263 4.732 4.470 -0.000 0.000 0.278 354 S C -1.757 172.818 174.600 -0.041 0.000 1.333 354 S CA -1.067 57.204 58.200 0.118 0.000 1.048 354 S CB 1.189 64.443 63.200 0.090 0.000 0.900 354 S HN -0.010 nan 8.310 nan 0.000 0.505 355 P HA -0.133 nan 4.420 nan 0.000 0.216 355 P C 0.530 177.749 177.300 -0.135 0.000 1.150 355 P CA 1.669 64.454 63.100 -0.525 0.000 0.843 355 P CB -0.081 31.502 31.700 -0.195 0.000 0.787 356 D N -3.630 116.754 120.400 -0.027 0.000 2.479 356 D HA 0.056 4.696 4.640 -0.000 0.000 0.218 356 D C -0.072 176.203 176.300 -0.041 0.000 1.177 356 D CA -0.623 53.383 54.000 0.010 0.000 0.830 356 D CB -1.252 39.552 40.800 0.006 0.000 1.014 356 D HN 0.048 nan 8.370 nan 0.000 0.503 357 C N 0.712 119.976 119.300 -0.059 0.000 4.297 357 C HA -0.177 4.282 4.460 -0.000 0.000 0.290 357 C C 1.958 176.919 174.990 -0.048 0.000 1.444 357 C CA 1.001 59.952 59.018 -0.112 0.000 1.982 357 C CB -3.239 24.320 27.740 -0.301 0.000 1.276 357 C HN 0.633 nan 8.230 nan 0.000 0.797 358 S N -1.150 114.542 115.700 -0.013 0.000 2.524 358 S HA 0.290 4.760 4.470 -0.000 0.000 0.215 358 S C 0.434 175.050 174.600 0.027 0.000 0.986 358 S CA 0.815 59.017 58.200 0.002 0.000 0.911 358 S CB 0.245 63.443 63.200 -0.002 0.000 0.805 358 S HN 1.052 nan 8.310 nan 0.000 0.501 359 T N -0.322 114.259 114.554 0.045 0.000 2.906 359 T HA 0.696 5.046 4.350 -0.000 0.000 0.295 359 T C -0.758 174.008 174.700 0.110 0.000 1.075 359 T CA -1.017 61.122 62.100 0.065 0.000 1.005 359 T CB 1.229 70.128 68.868 0.053 0.000 1.136 359 T HN 0.171 nan 8.240 nan 0.000 0.498 360 L N 1.630 122.926 121.223 0.122 0.000 2.292 360 L HA 0.652 4.992 4.340 -0.000 0.000 0.284 360 L C 0.523 177.497 176.870 0.173 0.000 1.065 360 L CA -0.782 54.169 54.840 0.185 0.000 0.806 360 L CB 1.160 43.294 42.059 0.124 0.000 1.175 360 L HN 0.637 nan 8.230 nan 0.000 0.431 361 R N 4.110 124.755 120.500 0.242 0.000 2.673 361 R HA 0.496 4.836 4.340 -0.000 0.000 0.281 361 R C -2.722 173.722 176.300 0.239 0.000 0.991 361 R CA -1.823 54.391 56.100 0.191 0.000 0.896 361 R CB 2.391 32.785 30.300 0.157 0.000 1.201 361 R HN 0.232 nan 8.270 nan 0.000 0.457 362 P HA -0.046 nan 4.420 nan 0.000 0.262 362 P C -0.163 177.220 177.300 0.138 0.000 1.182 362 P CA 0.145 63.355 63.100 0.183 0.000 0.761 362 P CB 0.944 32.729 31.700 0.142 0.000 0.795 363 Q N 3.326 123.175 119.800 0.082 0.000 2.082 363 Q HA -0.203 4.137 4.340 -0.000 0.000 0.211 363 Q C 0.651 176.644 176.000 -0.013 0.000 1.002 363 Q CA 2.179 57.900 55.803 -0.137 0.000 0.868 363 Q CB -0.520 28.007 28.738 -0.352 0.000 0.931 363 Q HN 0.414 nan 8.270 nan 0.000 0.414 364 F N 0.608 120.597 119.950 0.066 0.000 2.713 364 F HA 0.255 4.782 4.527 -0.000 0.000 0.294 364 F C -0.253 175.574 175.800 0.045 0.000 1.152 364 F CA -1.190 56.828 58.000 0.031 0.000 1.385 364 F CB -0.697 38.330 39.000 0.045 0.000 0.981 364 F HN 0.062 nan 8.300 nan 0.000 0.514 365 D N 2.641 123.173 120.400 0.220 0.000 2.533 365 D HA -0.030 4.610 4.640 -0.000 0.000 0.236 365 D C -1.837 174.535 176.300 0.121 0.000 1.137 365 D CA -0.599 53.492 54.000 0.151 0.000 0.867 365 D CB 0.971 41.847 40.800 0.127 0.000 1.170 365 D HN 0.048 nan 8.370 nan 0.000 0.474 366 P HA 0.144 nan 4.420 nan 0.000 0.305 366 P C 0.804 178.138 177.300 0.057 0.000 1.600 366 P CA -0.273 62.868 63.100 0.068 0.000 1.319 366 P CB 0.235 31.954 31.700 0.032 0.000 1.608 367 I N -0.110 120.506 120.570 0.076 0.000 2.614 367 I HA -0.026 4.144 4.170 -0.000 0.000 0.258 367 I C 0.282 176.473 176.117 0.124 0.000 1.189 367 I CA 0.983 62.321 61.300 0.063 0.000 1.462 367 I CB -0.175 37.856 38.000 0.052 0.000 1.092 367 I HN -0.133 nan 8.210 nan 0.000 0.442 368 L N 0.937 122.271 121.223 0.184 0.000 2.296 368 L HA 0.377 4.717 4.340 -0.000 0.000 0.286 368 L C -0.498 176.469 176.870 0.162 0.000 1.023 368 L CA -0.280 54.702 54.840 0.236 0.000 0.812 368 L CB 1.264 43.493 42.059 0.284 0.000 1.223 368 L HN -0.092 nan 8.230 nan 0.000 0.421 369 L N 3.931 125.244 121.223 0.149 0.000 2.326 369 L HA 0.309 4.648 4.340 -0.000 0.000 0.278 369 L C 0.111 177.051 176.870 0.116 0.000 1.092 369 L CA -0.502 54.399 54.840 0.101 0.000 0.810 369 L CB 0.495 42.594 42.059 0.066 0.000 1.153 369 L HN 0.630 nan 8.230 nan 0.000 0.439 370 D N 0.837 121.291 120.400 0.091 0.000 2.870 370 D HA -0.199 4.441 4.640 -0.000 0.000 0.228 370 D C 0.326 176.687 176.300 0.102 0.000 1.147 370 D CA 0.900 54.952 54.000 0.087 0.000 0.757 370 D CB -0.825 40.028 40.800 0.088 0.000 1.091 370 D HN 0.647 nan 8.370 nan 0.000 0.429 371 E N 1.263 121.529 120.200 0.110 0.000 2.265 371 E HA 0.147 4.497 4.350 -0.000 0.000 0.272 371 E C -1.891 174.767 176.600 0.097 0.000 1.067 371 E CA -1.273 55.198 56.400 0.117 0.000 0.900 371 E CB 0.722 30.502 29.700 0.135 0.000 1.017 371 E HN 0.059 nan 8.360 nan 0.000 0.431 372 P HA -0.006 nan 4.420 nan 0.000 0.272 372 P C -0.727 176.595 177.300 0.037 0.000 1.223 372 P CA -0.197 62.940 63.100 0.062 0.000 0.784 372 P CB 0.974 32.716 31.700 0.070 0.000 0.923 373 V N -1.400 118.487 119.914 -0.045 0.000 2.876 373 V HA 0.582 4.702 4.120 -0.000 0.000 0.312 373 V C -2.883 173.031 176.094 -0.299 0.000 1.085 373 V CA -3.033 59.177 62.300 -0.149 0.000 0.945 373 V CB 1.202 32.983 31.823 -0.071 0.000 1.017 373 V HN 0.281 nan 8.190 nan 0.000 0.428 374 P HA 0.257 nan 4.420 nan 0.000 0.266 374 P C -0.771 176.302 177.300 -0.378 0.000 1.195 374 P CA 0.140 62.920 63.100 -0.532 0.000 0.768 374 P CB 0.710 31.916 31.700 -0.824 0.000 0.838 375 V N 3.984 123.733 119.914 -0.275 0.000 2.378 375 V HA 0.262 4.382 4.120 -0.000 0.000 0.288 375 V C 0.622 176.572 176.094 -0.241 0.000 1.016 375 V CA -0.360 61.811 62.300 -0.216 0.000 0.840 375 V CB 0.653 32.393 31.823 -0.137 0.000 0.994 375 V HN 0.757 nan 8.190 nan 0.000 0.431 376 N N 4.222 122.755 118.700 -0.278 0.000 2.754 376 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 376 N C 0.969 176.240 175.510 -0.399 0.000 1.093 376 N CA 1.718 54.600 53.050 -0.281 0.000 0.699 376 N CB -1.025 37.357 38.487 -0.175 0.000 1.016 376 N HN 1.681 nan 8.380 nan 0.000 0.552 377 G N -1.175 107.209 108.800 -0.694 0.000 2.168 377 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 377 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 377 G C 0.084 174.835 174.900 -0.249 0.000 0.997 377 G CA 0.868 45.411 45.100 -0.928 0.000 0.708 377 G HN 0.771 nan 8.290 nan 0.000 0.520 378 R N -1.310 119.094 120.500 -0.160 0.000 2.774 378 R HA 0.782 5.121 4.340 -0.000 0.000 0.272 378 R C -0.712 175.593 176.300 0.008 0.000 1.000 378 R CA -1.009 55.100 56.100 0.016 0.000 0.906 378 R CB 1.704 31.970 30.300 -0.058 0.000 1.227 378 R HN 0.138 nan 8.270 nan 0.000 0.468 379 I N 1.561 122.163 120.570 0.053 0.000 2.468 379 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 379 I C -0.284 175.784 176.117 -0.081 0.000 1.038 379 I CA -0.711 60.572 61.300 -0.029 0.000 1.083 379 I CB 1.512 39.466 38.000 -0.076 0.000 1.223 379 I HN 0.494 nan 8.210 nan 0.000 0.443 380 H N 6.780 125.777 119.070 -0.122 0.000 2.707 380 H HA 0.082 4.638 4.556 -0.000 0.000 0.359 380 H C 0.821 176.050 175.328 -0.164 0.000 1.113 380 H CA 0.502 56.474 56.048 -0.128 0.000 1.422 380 H CB 1.554 31.261 29.762 -0.092 0.000 1.443 380 H HN 0.686 nan 8.280 nan 0.000 0.591 381 K N 1.312 121.385 120.400 -0.545 0.000 2.152 381 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 381 K C 1.847 178.404 176.600 -0.071 0.000 1.048 381 K CA 1.686 57.722 56.287 -0.418 0.000 0.933 381 K CB -0.144 32.048 32.500 -0.514 0.000 0.721 381 K HN 0.469 nan 8.250 nan 0.000 0.447 382 S N 1.040 116.904 115.700 0.273 0.000 2.419 382 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 382 S C 2.019 176.700 174.600 0.134 0.000 1.019 382 S CA 1.146 59.488 58.200 0.235 0.000 0.982 382 S CB -0.656 62.671 63.200 0.210 0.000 0.789 382 S HN 0.181 nan 8.310 nan 0.000 0.490 383 V N 1.615 121.588 119.914 0.098 0.000 2.759 383 V HA 0.038 4.158 4.120 -0.000 0.000 0.256 383 V C 2.031 178.166 176.094 0.069 0.000 1.080 383 V CA 1.300 63.634 62.300 0.055 0.000 1.101 383 V CB -0.777 31.057 31.823 0.018 0.000 0.698 383 V HN 0.547 nan 8.190 nan 0.000 0.477 384 L N -0.820 120.429 121.223 0.042 0.000 2.592 384 L HA 0.189 4.529 4.340 -0.000 0.000 0.227 384 L C 0.366 177.434 176.870 0.330 0.000 1.127 384 L CA 0.085 54.984 54.840 0.099 0.000 0.884 384 L CB -0.199 41.708 42.059 -0.254 0.000 1.065 384 L HN 0.198 nan 8.230 nan 0.000 0.457 385 D N 2.726 123.283 120.400 0.262 0.000 2.671 385 D HA 0.159 4.799 4.640 -0.000 0.000 0.228 385 D C 0.135 176.522 176.300 0.145 0.000 1.102 385 D CA 0.586 54.721 54.000 0.225 0.000 1.044 385 D CB 0.182 41.080 40.800 0.164 0.000 1.113 385 D HN 0.285 nan 8.370 nan 0.000 0.480 386 K N 0.635 121.135 120.400 0.167 0.000 2.508 386 K HA 0.427 4.747 4.320 -0.000 0.000 0.260 386 K C -2.787 173.853 176.600 0.066 0.000 0.949 386 K CA -2.026 54.327 56.287 0.110 0.000 0.834 386 K CB 2.531 35.110 32.500 0.131 0.000 1.365 386 K HN -0.159 nan 8.250 nan 0.000 0.437 387 P HA -0.022 nan 4.420 nan 0.000 0.266 387 P C 0.450 177.709 177.300 -0.069 0.000 1.195 387 P CA 0.822 63.902 63.100 -0.033 0.000 0.768 387 P CB 0.598 32.292 31.700 -0.011 0.000 0.838 388 G N 2.226 110.923 108.800 -0.170 0.000 2.583 388 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.292 388 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.292 388 G C 0.280 174.824 174.900 -0.594 0.000 1.203 388 G CA 0.044 44.961 45.100 -0.306 0.000 0.987 388 G HN 0.420 nan 8.290 nan 0.000 0.554 389 F N 3.202 122.992 119.950 -0.265 0.000 2.664 389 F HA 0.430 4.957 4.527 -0.000 0.000 0.301 389 F C 2.159 177.876 175.800 -0.137 0.000 1.126 389 F CA 1.017 58.740 58.000 -0.461 0.000 1.373 389 F CB 0.190 39.010 39.000 -0.300 0.000 1.042 389 F HN 1.495 nan 8.300 nan 0.000 0.535 390 G N 0.904 109.747 108.800 0.071 0.000 2.187 390 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.261 390 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.261 390 G C 0.172 175.175 174.900 0.172 0.000 1.000 390 G CA 0.575 45.769 45.100 0.157 0.000 0.718 390 G HN 0.542 nan 8.290 nan 0.000 0.519 391 V N -4.660 115.369 119.914 0.191 0.000 3.126 391 V HA 0.959 5.079 4.120 -0.000 0.000 0.314 391 V C -0.287 176.046 176.094 0.399 0.000 1.138 391 V CA -1.443 61.002 62.300 0.242 0.000 1.034 391 V CB 2.141 34.097 31.823 0.222 0.000 1.075 391 V HN 0.234 nan 8.190 nan 0.000 0.442 392 E N 0.740 121.156 120.200 0.359 0.000 2.277 392 E HA 0.556 4.906 4.350 -0.000 0.000 0.266 392 E C -1.496 175.163 176.600 0.099 0.000 0.901 392 E CA -1.061 55.510 56.400 0.285 0.000 0.782 392 E CB 2.579 32.347 29.700 0.114 0.000 1.228 392 E HN 0.718 nan 8.360 nan 0.000 0.424 393 L N 2.701 123.641 121.223 -0.472 0.000 2.410 393 L HA 0.136 4.476 4.340 -0.000 0.000 0.273 393 L C -0.180 176.513 176.870 -0.296 0.000 1.152 393 L CA 0.005 54.444 54.840 -0.668 0.000 0.855 393 L CB 0.237 41.614 42.059 -1.136 0.000 1.129 393 L HN 0.384 nan 8.230 nan 0.000 0.463 394 N N 3.962 122.554 118.700 -0.180 0.000 2.555 394 N HA 0.088 4.828 4.740 -0.000 0.000 0.244 394 N C 0.777 176.166 175.510 -0.203 0.000 1.114 394 N CA 0.239 53.206 53.050 -0.138 0.000 0.963 394 N CB -0.009 38.436 38.487 -0.070 0.000 1.276 394 N HN 0.656 nan 8.380 nan 0.000 0.510 395 R N 1.700 122.061 120.500 -0.232 0.000 2.339 395 R HA 0.017 4.357 4.340 -0.000 0.000 0.199 395 R C 0.075 176.244 176.300 -0.218 0.000 1.018 395 R CA 0.535 56.473 56.100 -0.271 0.000 1.036 395 R CB 0.276 30.415 30.300 -0.269 0.000 0.899 395 R HN 0.479 nan 8.270 nan 0.000 0.473 396 D N -0.234 120.057 120.400 -0.183 0.000 2.347 396 D HA -0.048 4.592 4.640 -0.000 0.000 0.215 396 D C 0.291 176.419 176.300 -0.287 0.000 0.976 396 D CA 0.403 54.295 54.000 -0.180 0.000 0.884 396 D CB 0.043 40.764 40.800 -0.132 0.000 0.915 396 D HN 0.227 nan 8.370 nan 0.000 0.526 397 C N 1.182 120.312 119.300 -0.283 0.000 2.595 397 C HA 0.108 4.568 4.460 -0.000 0.000 0.384 397 C C 1.000 175.766 174.990 -0.373 0.000 1.289 397 C CA -0.681 58.125 59.018 -0.354 0.000 2.372 397 C CB 0.146 27.760 27.740 -0.210 0.000 2.593 397 C HN 0.345 nan 8.230 nan 0.000 0.639 398 H N 2.126 121.131 119.070 -0.109 0.000 2.799 398 H HA 0.211 4.767 4.556 -0.000 0.000 0.225 398 H C -0.205 175.016 175.328 -0.180 0.000 1.904 398 H CA -0.296 55.676 56.048 -0.127 0.000 1.344 398 H CB -0.547 29.159 29.762 -0.093 0.000 1.744 398 H HN 0.315 nan 8.280 nan 0.000 0.542 399 L N 1.872 123.002 121.223 -0.156 0.000 2.490 399 L HA 0.025 4.364 4.340 -0.000 0.000 0.274 399 L C 0.822 177.596 176.870 -0.159 0.000 1.201 399 L CA 0.751 55.456 54.840 -0.224 0.000 0.869 399 L CB 0.262 42.038 42.059 -0.471 0.000 1.123 399 L HN 0.226 nan 8.230 nan 0.000 0.484 400 K N 3.378 123.625 120.400 -0.255 0.000 2.270 400 K HA 0.520 4.840 4.320 -0.000 0.000 0.255 400 K C -0.416 176.184 176.600 0.001 0.000 0.936 400 K CA -0.827 55.297 56.287 -0.271 0.000 0.809 400 K CB 2.111 34.156 32.500 -0.759 0.000 1.131 400 K HN 0.361 nan 8.250 nan 0.000 0.427 401 R N 4.221 124.788 120.500 0.111 0.000 2.396 401 R HA 0.185 4.525 4.340 -0.000 0.000 0.292 401 R C -1.707 174.591 176.300 -0.003 0.000 1.240 401 R CA -1.525 54.612 56.100 0.061 0.000 1.270 401 R CB 0.594 30.905 30.300 0.018 0.000 1.108 401 R HN 0.443 nan 8.270 nan 0.000 0.573 402 P HA -0.074 nan 4.420 nan 0.000 0.223 402 P C -0.736 176.225 177.300 -0.566 0.000 1.151 402 P CA 0.974 63.896 63.100 -0.297 0.000 0.787 402 P CB 0.295 31.773 31.700 -0.370 0.000 0.788 403 Y N -1.324 119.012 120.300 0.060 0.000 2.545 403 Y HA 0.554 5.104 4.550 -0.000 0.000 0.348 403 Y C 0.498 176.387 175.900 -0.018 0.000 1.002 403 Y CA -0.796 57.309 58.100 0.009 0.000 1.039 403 Y CB 1.925 40.370 38.460 -0.025 0.000 1.271 403 Y HN -0.290 nan 8.280 nan 0.000 0.467 404 S N 0.886 116.686 115.700 0.166 0.000 2.651 404 S HA 0.659 5.128 4.470 -0.000 0.000 0.279 404 S C -1.500 173.189 174.600 0.148 0.000 1.148 404 S CA -0.893 57.363 58.200 0.094 0.000 0.837 404 S CB 2.191 65.391 63.200 -0.001 0.000 1.138 404 S HN 0.843 nan 8.310 nan 0.000 0.478 405 H N 0.000 119.042 119.070 -0.047 0.000 2.539 405 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 405 H CA 0.000 56.020 56.048 -0.047 0.000 1.023 405 H CB 0.000 29.723 29.762 -0.065 0.000 1.292 405 H HN 0.000 nan 8.280 nan 0.000 0.496