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 1ggf_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.281 176.300 -0.032 0.000 2.045 27 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N -0.435 115.239 115.700 -0.044 0.000 4.290 28 S HA 0.128 4.705 4.470 0.178 0.000 0.079 28 S C 0.697 175.259 174.600 -0.063 0.000 0.853 28 S CA -0.198 57.972 58.200 -0.049 0.000 0.917 28 S CB -0.824 62.356 63.200 -0.033 0.000 0.771 28 S HN 0.105 nan 8.310 nan 0.000 0.755 29 L N 1.003 122.180 121.223 -0.078 0.000 2.209 29 L HA 0.377 4.824 4.340 0.178 0.000 0.207 29 L C 1.536 178.325 176.870 -0.135 0.000 1.094 29 L CA 0.987 55.777 54.840 -0.084 0.000 0.790 29 L CB -0.615 41.403 42.059 -0.068 0.000 0.932 29 L HN 0.497 nan 8.230 nan 0.000 0.447 30 A N 1.360 124.044 122.820 -0.226 0.000 2.445 30 A HA 0.339 4.766 4.320 0.178 0.000 0.242 30 A C -2.009 175.439 177.584 -0.226 0.000 1.075 30 A CA -0.972 50.808 52.037 -0.428 0.000 0.777 30 A CB -0.568 17.916 19.000 -0.859 0.000 1.013 30 A HN 0.012 nan 8.150 nan 0.000 0.493 31 P HA 0.115 nan 4.420 nan 0.000 0.272 31 P C 0.166 177.470 177.300 0.007 0.000 1.223 31 P CA -0.005 63.080 63.100 -0.025 0.000 0.784 31 P CB 0.847 32.566 31.700 0.032 0.000 0.923 32 E N 1.371 121.577 120.200 0.010 0.000 2.106 32 E HA -0.202 4.255 4.350 0.178 0.000 0.192 32 E C 1.283 177.907 176.600 0.041 0.000 0.984 32 E CA 1.659 58.070 56.400 0.019 0.000 0.806 32 E CB -0.507 29.198 29.700 0.009 0.000 0.750 32 E HN 0.532 nan 8.360 nan 0.000 0.458 33 D N -1.177 119.250 120.400 0.045 0.000 2.263 33 D HA -0.061 4.686 4.640 0.178 0.000 0.208 33 D C 1.365 177.706 176.300 0.068 0.000 0.971 33 D CA 1.136 55.164 54.000 0.047 0.000 0.867 33 D CB -0.507 40.315 40.800 0.037 0.000 0.929 33 D HN 0.261 nan 8.370 nan 0.000 0.492 34 G N -0.357 108.521 108.800 0.130 0.000 2.136 34 G HA2 -0.302 3.765 3.960 0.178 0.000 0.242 34 G HA3 -0.302 3.765 3.960 0.178 0.000 0.242 34 G C 0.867 175.814 174.900 0.079 0.000 0.989 34 G CA 0.739 45.941 45.100 0.170 0.000 0.682 34 G HN 0.758 nan 8.290 nan 0.000 0.522 35 S N 0.409 116.175 115.700 0.109 0.000 2.650 35 S HA 0.057 4.634 4.470 0.178 0.000 0.219 35 S C 1.775 176.413 174.600 0.064 0.000 0.960 35 S CA 0.888 59.118 58.200 0.050 0.000 0.925 35 S CB -0.500 62.729 63.200 0.049 0.000 0.775 35 S HN 0.927 nan 8.310 nan 0.000 0.525 36 H N 0.610 119.687 119.070 0.011 0.000 2.512 36 H HA 0.300 4.962 4.556 0.178 0.000 0.279 36 H C 0.643 175.982 175.328 0.019 0.000 0.999 36 H CA 0.045 56.101 56.048 0.013 0.000 1.283 36 H CB -0.156 29.613 29.762 0.011 0.000 1.421 36 H HN 0.272 nan 8.280 nan 0.000 0.554 37 R N 2.618 122.830 120.500 -0.479 0.000 2.294 37 R HA 0.339 4.786 4.340 0.178 0.000 0.319 37 R C -2.491 173.722 176.300 -0.145 0.000 0.984 37 R CA -1.954 53.934 56.100 -0.354 0.000 0.861 37 R CB 1.028 31.024 30.300 -0.507 0.000 1.104 37 R HN 0.168 nan 8.270 nan 0.000 0.451 38 P HA 0.173 nan 4.420 nan 0.000 0.275 38 P C -1.063 176.227 177.300 -0.016 0.000 1.228 38 P CA -0.520 62.569 63.100 -0.018 0.000 0.786 38 P CB 1.151 32.865 31.700 0.022 0.000 0.927 39 A N 2.531 125.348 122.820 -0.006 0.000 2.520 39 A HA 0.372 4.798 4.320 0.178 0.000 0.245 39 A C 1.007 178.599 177.584 0.013 0.000 1.072 39 A CA 0.099 52.136 52.037 -0.001 0.000 0.761 39 A CB -0.491 18.510 19.000 0.003 0.000 1.004 39 A HN 0.583 nan 8.150 nan 0.000 0.499 40 A N 3.427 126.254 122.820 0.011 0.000 3.074 40 A HA 0.477 4.904 4.320 0.178 0.000 0.251 40 A C 0.390 177.988 177.584 0.024 0.000 1.695 40 A CA 0.149 52.198 52.037 0.021 0.000 1.343 40 A CB -0.852 18.157 19.000 0.016 0.000 1.078 40 A HN 0.875 nan 8.150 nan 0.000 0.644 41 E N -1.025 119.191 120.200 0.027 0.000 2.407 41 E HA 0.421 4.878 4.350 0.178 0.000 0.279 41 E C -3.284 173.332 176.600 0.027 0.000 1.012 41 E CA -2.588 53.829 56.400 0.027 0.000 0.800 41 E CB 0.461 30.173 29.700 0.019 0.000 1.276 41 E HN 0.014 nan 8.360 nan 0.000 0.452 42 P HA 0.023 nan 4.420 nan 0.000 0.260 42 P C -0.719 176.581 177.300 0.000 0.000 1.185 42 P CA 0.541 63.647 63.100 0.010 0.000 0.763 42 P CB 0.327 32.023 31.700 -0.008 0.000 0.776 43 T N 1.359 115.909 114.554 -0.006 0.000 2.906 43 T HA 0.672 5.129 4.350 0.178 0.000 0.295 43 T C -2.941 171.721 174.700 -0.064 0.000 1.061 43 T CA -2.741 59.349 62.100 -0.018 0.000 1.000 43 T CB 1.851 70.718 68.868 -0.002 0.000 1.103 43 T HN 0.038 nan 8.240 nan 0.000 0.486 44 P HA 0.377 nan 4.420 nan 0.000 0.276 44 P C -2.796 174.378 177.300 -0.210 0.000 1.244 44 P CA -1.802 61.138 63.100 -0.267 0.000 0.801 44 P CB -0.888 30.696 31.700 -0.193 0.000 1.006 45 P HA -0.006 nan 4.420 nan 0.000 0.258 45 P C 1.122 178.393 177.300 -0.049 0.000 1.172 45 P CA 1.623 64.646 63.100 -0.128 0.000 0.762 45 P CB -0.496 31.132 31.700 -0.119 0.000 0.764 46 G N 3.028 111.821 108.800 -0.011 0.000 2.184 46 G HA2 -0.349 3.718 3.960 0.178 0.000 0.264 46 G HA3 -0.349 3.718 3.960 0.178 0.000 0.264 46 G C 1.146 176.048 174.900 0.004 0.000 0.975 46 G CA 0.462 45.566 45.100 0.006 0.000 0.642 46 G HN 0.677 nan 8.290 nan 0.000 0.536 47 A N -1.116 121.701 122.820 -0.005 0.000 1.897 47 A HA 0.358 4.785 4.320 0.178 0.000 0.215 47 A C 1.430 179.018 177.584 0.007 0.000 1.181 47 A CA 1.982 54.019 52.037 0.000 0.000 0.620 47 A CB -0.030 18.967 19.000 -0.006 0.000 0.821 47 A HN 0.521 nan 8.150 nan 0.000 0.443 48 Q N -0.964 118.844 119.800 0.013 0.000 2.433 48 Q HA 0.472 4.919 4.340 0.178 0.000 0.279 48 Q C -2.936 173.083 176.000 0.031 0.000 1.105 48 Q CA -2.259 53.556 55.803 0.020 0.000 0.815 48 Q CB 0.635 29.387 28.738 0.024 0.000 1.403 48 Q HN 0.078 nan 8.270 nan 0.000 0.435 49 P HA 0.054 nan 4.420 nan 0.000 0.271 49 P C -0.290 177.047 177.300 0.063 0.000 1.220 49 P CA 0.027 63.146 63.100 0.033 0.000 0.768 49 P CB 0.278 31.995 31.700 0.027 0.000 0.848 50 T N 0.270 114.864 114.554 0.067 0.000 2.856 50 T HA 0.567 5.024 4.350 0.178 0.000 0.306 50 T C 0.104 174.914 174.700 0.183 0.000 1.062 50 T CA -0.450 61.747 62.100 0.161 0.000 1.083 50 T CB 0.638 69.549 68.868 0.072 0.000 0.984 50 T HN 0.539 nan 8.240 nan 0.000 0.542 51 A N 1.852 124.888 122.820 0.361 0.000 2.583 51 A HA 0.809 5.236 4.320 0.178 0.000 0.289 51 A C -3.061 174.816 177.584 0.488 0.000 1.151 51 A CA -2.086 50.132 52.037 0.301 0.000 0.695 51 A CB 0.527 19.639 19.000 0.188 0.000 1.290 51 A HN 0.649 nan 8.150 nan 0.000 0.419 52 P HA 0.177 nan 4.420 nan 0.000 0.265 52 P C 1.192 178.627 177.300 0.225 0.000 1.193 52 P CA 0.838 64.157 63.100 0.365 0.000 0.765 52 P CB 0.646 32.488 31.700 0.236 0.000 0.823 53 G N 2.688 111.562 108.800 0.124 0.000 2.513 53 G HA2 -0.343 3.724 3.960 0.178 0.000 0.219 53 G HA3 -0.343 3.724 3.960 0.178 0.000 0.219 53 G C 1.612 176.519 174.900 0.011 0.000 1.160 53 G CA 1.319 46.410 45.100 -0.013 0.000 0.767 53 G HN 0.590 nan 8.290 nan 0.000 0.571 54 S N -0.046 115.668 115.700 0.023 0.000 2.474 54 S HA 0.121 4.698 4.470 0.178 0.000 0.235 54 S C 2.245 176.863 174.600 0.029 0.000 0.997 54 S CA 1.027 59.232 58.200 0.008 0.000 0.949 54 S CB -0.172 63.027 63.200 -0.002 0.000 0.766 54 S HN 0.333 nan 8.310 nan 0.000 0.517 55 L N -0.179 121.078 121.223 0.057 0.000 2.298 55 L HA 0.268 4.715 4.340 0.178 0.000 0.209 55 L C 2.681 179.582 176.870 0.052 0.000 1.084 55 L CA 0.691 55.565 54.840 0.055 0.000 0.816 55 L CB -0.310 41.791 42.059 0.071 0.000 0.967 55 L HN 0.215 nan 8.230 nan 0.000 0.460 56 K N 1.496 121.936 120.400 0.067 0.000 2.062 56 K HA 0.017 4.444 4.320 0.178 0.000 0.205 56 K C 0.692 177.318 176.600 0.044 0.000 1.051 56 K CA 1.402 57.728 56.287 0.065 0.000 0.941 56 K CB 0.035 32.586 32.500 0.085 0.000 0.719 56 K HN 0.146 nan 8.250 nan 0.000 0.440 57 A N 0.869 123.707 122.820 0.030 0.000 3.216 57 A HA 0.351 4.778 4.320 0.178 0.000 0.321 57 A C -2.177 175.412 177.584 0.007 0.000 1.042 57 A CA -1.053 50.999 52.037 0.026 0.000 0.838 57 A CB 0.727 19.749 19.000 0.036 0.000 1.136 57 A HN 0.167 nan 8.150 nan 0.000 0.483 58 P HA -0.127 nan 4.420 nan 0.000 0.221 58 P C 0.256 177.550 177.300 -0.010 0.000 1.150 58 P CA 1.084 64.182 63.100 -0.002 0.000 0.800 58 P CB 0.342 32.044 31.700 0.004 0.000 0.787 59 D N -0.372 120.027 120.400 -0.002 0.000 2.277 59 D HA -0.022 4.725 4.640 0.178 0.000 0.208 59 D C 0.526 176.815 176.300 -0.018 0.000 0.962 59 D CA 0.707 54.703 54.000 -0.007 0.000 0.865 59 D CB -0.664 40.139 40.800 0.005 0.000 0.939 59 D HN 0.174 nan 8.370 nan 0.000 0.510 60 T N 2.788 117.331 114.554 -0.020 0.000 2.902 60 T HA 0.183 4.640 4.350 0.178 0.000 0.301 60 T C 0.721 175.380 174.700 -0.068 0.000 1.012 60 T CA 0.017 62.092 62.100 -0.042 0.000 1.151 60 T CB 0.999 69.837 68.868 -0.050 0.000 0.946 60 T HN 0.171 nan 8.240 nan 0.000 0.542 61 R N 1.600 122.052 120.500 -0.080 0.000 2.734 61 R HA 0.553 5.000 4.340 0.178 0.000 0.271 61 R C -1.702 174.539 176.300 -0.099 0.000 1.021 61 R CA -0.940 55.105 56.100 -0.092 0.000 0.893 61 R CB 1.270 31.524 30.300 -0.077 0.000 1.244 61 R HN 0.784 nan 8.270 nan 0.000 0.464 62 N N -1.477 117.165 118.700 -0.096 0.000 3.185 62 N HA 0.083 4.930 4.740 0.178 0.000 0.238 62 N C -0.010 175.450 175.510 -0.083 0.000 1.451 62 N CA -0.465 52.537 53.050 -0.079 0.000 0.888 62 N CB 0.685 39.151 38.487 -0.036 0.000 1.413 62 N HN 0.707 nan 8.380 nan 0.000 0.511 63 E N -0.202 119.960 120.200 -0.062 0.000 2.085 63 E HA -0.278 4.179 4.350 0.178 0.000 0.194 63 E C 1.088 177.613 176.600 -0.124 0.000 0.994 63 E CA 1.652 58.011 56.400 -0.069 0.000 0.801 63 E CB 0.078 29.760 29.700 -0.030 0.000 0.743 63 E HN 0.500 nan 8.360 nan 0.000 0.453 64 K N 0.565 120.854 120.400 -0.185 0.000 2.031 64 K HA -0.069 4.358 4.320 0.178 0.000 0.205 64 K C 2.055 178.495 176.600 -0.267 0.000 1.049 64 K CA 1.094 57.183 56.287 -0.330 0.000 0.939 64 K CB -0.361 31.743 32.500 -0.660 0.000 0.717 64 K HN 0.162 nan 8.250 nan 0.000 0.438 65 L N 0.979 122.060 121.223 -0.236 0.000 2.079 65 L HA -0.204 4.243 4.340 0.178 0.000 0.210 65 L C 1.710 178.471 176.870 -0.181 0.000 1.081 65 L CA 1.198 55.880 54.840 -0.263 0.000 0.752 65 L CB -0.589 41.304 42.059 -0.277 0.000 0.896 65 L HN 0.262 nan 8.230 nan 0.000 0.433 66 N N -0.448 118.169 118.700 -0.138 0.000 2.270 66 N HA -0.132 4.715 4.740 0.178 0.000 0.181 66 N C 2.022 177.475 175.510 -0.095 0.000 1.016 66 N CA 1.553 54.542 53.050 -0.102 0.000 0.870 66 N CB -0.325 38.115 38.487 -0.079 0.000 0.979 66 N HN 0.357 nan 8.380 nan 0.000 0.431 67 S N 0.080 115.713 115.700 -0.110 0.000 2.522 67 S HA 0.116 4.693 4.470 0.178 0.000 0.227 67 S C 1.743 176.285 174.600 -0.096 0.000 0.986 67 S CA 0.104 58.247 58.200 -0.095 0.000 0.929 67 S CB -0.359 62.784 63.200 -0.095 0.000 0.769 67 S HN 0.198 nan 8.310 nan 0.000 0.529 68 L N 0.787 121.939 121.223 -0.119 0.000 2.478 68 L HA 0.142 4.589 4.340 0.178 0.000 0.223 68 L C 2.695 179.521 176.870 -0.074 0.000 1.140 68 L CA 0.773 55.550 54.840 -0.105 0.000 0.842 68 L CB -0.377 41.601 42.059 -0.135 0.000 0.953 68 L HN 0.320 nan 8.230 nan 0.000 0.452 69 E N 1.237 121.395 120.200 -0.069 0.000 2.085 69 E HA -0.278 4.179 4.350 0.178 0.000 0.194 69 E C 1.722 178.303 176.600 -0.031 0.000 0.994 69 E CA 1.784 58.156 56.400 -0.047 0.000 0.801 69 E CB -0.082 29.592 29.700 -0.044 0.000 0.743 69 E HN 0.556 nan 8.360 nan 0.000 0.453 70 D N -0.171 120.209 120.400 -0.033 0.000 2.265 70 D HA -0.150 4.597 4.640 0.178 0.000 0.208 70 D C 1.689 177.977 176.300 -0.019 0.000 0.977 70 D CA 1.622 55.608 54.000 -0.024 0.000 0.871 70 D CB -0.383 40.401 40.800 -0.026 0.000 0.925 70 D HN 0.322 nan 8.370 nan 0.000 0.485 71 V N -3.120 116.781 119.914 -0.021 0.000 3.660 71 V HA 0.297 4.524 4.120 0.178 0.000 0.276 71 V C 0.952 177.043 176.094 -0.005 0.000 1.317 71 V CA -0.574 61.719 62.300 -0.012 0.000 1.097 71 V CB -0.643 31.174 31.823 -0.010 0.000 0.863 71 V HN -0.140 nan 8.190 nan 0.000 0.438 72 R N 2.694 123.189 120.500 -0.007 0.000 2.539 72 R HA 0.488 4.935 4.340 0.178 0.000 0.275 72 R C -0.296 176.011 176.300 0.011 0.000 1.077 72 R CA -0.111 55.993 56.100 0.007 0.000 1.097 72 R CB 0.639 30.943 30.300 0.006 0.000 1.018 72 R HN 0.543 nan 8.270 nan 0.000 0.483 73 K N 0.872 121.285 120.400 0.021 0.000 2.397 73 K HA 0.407 4.834 4.320 0.178 0.000 0.253 73 K C -0.069 176.561 176.600 0.051 0.000 0.932 73 K CA -0.867 55.428 56.287 0.013 0.000 0.795 73 K CB 2.299 34.784 32.500 -0.025 0.000 1.159 73 K HN 0.640 nan 8.250 nan 0.000 0.424 74 G N 0.650 109.507 108.800 0.096 0.000 2.516 74 G HA2 0.264 4.331 3.960 0.178 0.000 0.276 74 G HA3 0.264 4.331 3.960 0.178 0.000 0.276 74 G C 0.407 175.439 174.900 0.220 0.000 1.390 74 G CA 0.137 45.344 45.100 0.179 0.000 1.050 74 G HN 0.733 nan 8.290 nan 0.000 0.519 75 S N -2.616 113.264 115.700 0.301 0.000 2.961 75 S HA 0.131 4.708 4.470 0.178 0.000 0.253 75 S C 0.287 175.044 174.600 0.262 0.000 1.029 75 S CA -0.220 58.164 58.200 0.306 0.000 1.087 75 S CB 0.121 63.413 63.200 0.152 0.000 0.932 75 S HN 0.524 nan 8.310 nan 0.000 0.418 76 E N 2.974 123.238 120.200 0.106 0.000 2.465 76 E HA 0.236 4.693 4.350 0.178 0.000 0.260 76 E C -0.268 176.224 176.600 -0.180 0.000 0.980 76 E CA 0.259 56.655 56.400 -0.007 0.000 0.927 76 E CB 0.062 29.753 29.700 -0.015 0.000 0.934 76 E HN 0.368 nan 8.360 nan 0.000 0.459 77 N N 0.952 119.570 118.700 -0.137 0.000 2.878 77 N HA -0.208 4.639 4.740 0.178 0.000 0.247 77 N C -1.209 174.149 175.510 -0.255 0.000 1.021 77 N CA 1.029 53.958 53.050 -0.203 0.000 0.873 77 N CB -1.304 37.025 38.487 -0.263 0.000 1.128 77 N HN 0.369 nan 8.380 nan 0.000 0.571 78 Y N 0.770 121.075 120.300 0.009 0.000 2.387 78 Y HA 0.635 5.292 4.550 0.179 0.000 0.330 78 Y C 0.911 176.814 175.900 0.004 0.000 1.133 78 Y CA -0.750 57.354 58.100 0.007 0.000 1.152 78 Y CB 1.110 39.574 38.460 0.008 0.000 1.215 78 Y HN 0.132 nan 8.280 nan 0.000 0.466 79 A N 2.956 125.895 122.820 0.199 0.000 2.407 79 A HA 0.387 4.814 4.320 0.178 0.000 0.248 79 A C -0.642 176.990 177.584 0.080 0.000 1.082 79 A CA -0.551 51.547 52.037 0.103 0.000 0.785 79 A CB 0.054 19.099 19.000 0.075 0.000 1.020 79 A HN 0.737 nan 8.150 nan 0.000 0.489 80 L N 3.108 124.360 121.223 0.047 0.000 2.477 80 L HA 0.462 4.909 4.340 0.178 0.000 0.272 80 L C 0.646 177.523 176.870 0.011 0.000 1.157 80 L CA 1.262 56.116 54.840 0.023 0.000 0.889 80 L CB 0.114 42.179 42.059 0.010 0.000 1.158 80 L HN 0.900 nan 8.230 nan 0.000 0.473 81 T N 0.471 115.025 114.554 0.000 0.000 2.865 81 T HA 0.671 5.128 4.350 0.178 0.000 0.294 81 T C 0.220 174.917 174.700 -0.005 0.000 1.119 81 T CA -0.194 61.907 62.100 0.002 0.000 1.007 81 T CB 1.090 69.960 68.868 0.003 0.000 1.225 81 T HN 0.775 nan 8.240 nan 0.000 0.515 82 T N 0.265 114.829 114.554 0.016 0.000 2.698 82 T HA 0.236 4.693 4.350 0.178 0.000 0.295 82 T C 1.085 175.793 174.700 0.012 0.000 1.007 82 T CA -0.450 61.665 62.100 0.026 0.000 0.980 82 T CB -0.093 68.829 68.868 0.090 0.000 1.036 82 T HN 0.554 nan 8.240 nan 0.000 0.526 83 N N 0.476 119.185 118.700 0.014 0.000 2.453 83 N HA -0.059 4.788 4.740 0.178 0.000 0.183 83 N C 1.535 177.053 175.510 0.013 0.000 1.041 83 N CA 0.637 53.687 53.050 0.001 0.000 0.900 83 N CB -0.170 38.322 38.487 0.008 0.000 0.961 83 N HN 0.545 nan 8.380 nan 0.000 0.443 84 Q N -0.682 119.136 119.800 0.031 0.000 2.280 84 Q HA 0.235 4.682 4.340 0.178 0.000 0.201 84 Q C 0.776 176.789 176.000 0.022 0.000 0.890 84 Q CA 0.119 55.937 55.803 0.026 0.000 0.947 84 Q CB 0.505 29.264 28.738 0.034 0.000 1.081 84 Q HN 0.361 nan 8.270 nan 0.000 0.502 85 G N 0.493 109.304 108.800 0.020 0.000 2.141 85 G HA2 -0.238 3.829 3.960 0.178 0.000 0.242 85 G HA3 -0.238 3.829 3.960 0.178 0.000 0.242 85 G C 0.100 175.019 174.900 0.032 0.000 0.982 85 G CA 0.140 45.249 45.100 0.014 0.000 0.662 85 G HN 0.223 nan 8.290 nan 0.000 0.527 86 V N 1.548 121.498 119.914 0.059 0.000 2.461 86 V HA 0.363 4.590 4.120 0.178 0.000 0.275 86 V C 1.337 177.466 176.094 0.059 0.000 1.047 86 V CA -0.479 61.870 62.300 0.081 0.000 0.955 86 V CB 1.070 32.989 31.823 0.160 0.000 0.988 86 V HN 0.420 nan 8.190 nan 0.000 0.471 87 R N 4.176 124.704 120.500 0.047 0.000 2.590 87 R HA 0.396 4.843 4.340 0.178 0.000 0.274 87 R C -0.512 175.798 176.300 0.017 0.000 1.061 87 R CA -0.126 55.992 56.100 0.030 0.000 1.081 87 R CB 0.564 30.881 30.300 0.029 0.000 0.984 87 R HN 0.576 nan 8.270 nan 0.000 0.448 88 I N 1.907 122.476 120.570 -0.002 0.000 2.359 88 I HA 0.140 4.417 4.170 0.178 0.000 0.294 88 I C 0.881 176.985 176.117 -0.022 0.000 0.987 88 I CA -0.025 61.259 61.300 -0.027 0.000 1.225 88 I CB 1.898 39.872 38.000 -0.043 0.000 1.366 88 I HN 0.782 nan 8.210 nan 0.000 0.466 89 A N 4.097 126.900 122.820 -0.028 0.000 1.887 89 A HA 0.017 4.444 4.320 0.178 0.000 0.212 89 A C 0.642 178.209 177.584 -0.028 0.000 1.198 89 A CA 0.889 52.913 52.037 -0.021 0.000 0.628 89 A CB 0.053 19.043 19.000 -0.017 0.000 0.847 89 A HN 0.675 nan 8.150 nan 0.000 0.449 90 D N -0.570 119.804 120.400 -0.042 0.000 2.462 90 D HA 0.365 5.112 4.640 0.178 0.000 0.245 90 D C -1.333 174.935 176.300 -0.053 0.000 1.122 90 D CA -0.377 53.597 54.000 -0.042 0.000 0.864 90 D CB 1.325 42.101 40.800 -0.040 0.000 1.098 90 D HN 0.048 nan 8.370 nan 0.000 0.541 91 D N 2.145 122.518 120.400 -0.045 0.000 2.427 91 D HA 0.066 4.813 4.640 0.178 0.000 0.224 91 D C 0.624 176.894 176.300 -0.049 0.000 1.157 91 D CA 0.250 54.220 54.000 -0.050 0.000 0.828 91 D CB 0.525 41.300 40.800 -0.042 0.000 0.974 91 D HN 0.249 nan 8.370 nan 0.000 0.498 92 Q N -0.730 119.042 119.800 -0.046 0.000 2.353 92 Q HA 0.252 4.699 4.340 0.178 0.000 0.240 92 Q C -0.071 175.901 176.000 -0.046 0.000 0.868 92 Q CA 0.284 56.061 55.803 -0.044 0.000 0.944 92 Q CB 0.715 29.431 28.738 -0.036 0.000 1.104 92 Q HN 0.205 nan 8.270 nan 0.000 0.531 93 N N 0.243 118.914 118.700 -0.049 0.000 2.240 93 N HA 0.329 5.176 4.740 0.178 0.000 0.302 93 N C -0.881 174.597 175.510 -0.054 0.000 1.106 93 N CA -0.253 52.770 53.050 -0.046 0.000 0.778 93 N CB 2.097 40.561 38.487 -0.038 0.000 1.431 93 N HN -0.170 nan 8.380 nan 0.000 0.479 94 S N 0.763 116.434 115.700 -0.048 0.000 2.603 94 S HA 0.253 4.830 4.470 0.178 0.000 0.268 94 S C 0.089 174.665 174.600 -0.040 0.000 1.317 94 S CA -0.542 57.630 58.200 -0.047 0.000 1.012 94 S CB 0.609 63.787 63.200 -0.036 0.000 0.926 94 S HN 0.362 nan 8.310 nan 0.000 0.539 95 L N 4.123 125.322 121.223 -0.040 0.000 2.313 95 L HA 0.463 4.910 4.340 0.178 0.000 0.282 95 L C 0.130 176.992 176.870 -0.014 0.000 1.092 95 L CA 0.415 55.239 54.840 -0.028 0.000 0.831 95 L CB -0.120 41.924 42.059 -0.026 0.000 1.159 95 L HN 0.745 nan 8.230 nan 0.000 0.442 96 R N 4.109 124.603 120.500 -0.010 0.000 2.817 96 R HA 0.865 5.312 4.340 0.178 0.000 0.268 96 R C -1.289 175.010 176.300 -0.002 0.000 1.027 96 R CA -0.834 55.263 56.100 -0.005 0.000 0.928 96 R CB 1.088 31.383 30.300 -0.008 0.000 1.228 96 R HN 0.541 nan 8.270 nan 0.000 0.469 97 A N 0.988 123.808 122.820 0.001 0.000 2.798 97 A HA 0.609 5.036 4.320 0.178 0.000 0.316 97 A C 0.496 178.080 177.584 -0.000 0.000 1.506 97 A CA 0.204 52.242 52.037 0.002 0.000 1.162 97 A CB -0.799 18.204 19.000 0.004 0.000 1.138 97 A HN 1.285 nan 8.150 nan 0.000 0.532 98 G N 0.982 109.781 108.800 -0.001 0.000 2.675 98 G HA2 0.038 4.104 3.960 0.178 0.000 0.686 98 G HA3 0.038 4.104 3.960 0.178 0.000 0.686 98 G C 0.585 175.482 174.900 -0.005 0.000 1.215 98 G CA -0.102 44.996 45.100 -0.003 0.000 0.777 98 G HN 1.568 nan 8.290 nan 0.000 0.638 99 S N 0.037 115.734 115.700 -0.006 0.000 2.469 99 S HA -0.036 4.541 4.470 0.178 0.000 0.238 99 S C 1.678 176.272 174.600 -0.009 0.000 0.998 99 S CA 1.482 59.677 58.200 -0.009 0.000 0.957 99 S CB 0.113 63.308 63.200 -0.009 0.000 0.764 99 S HN 0.719 nan 8.310 nan 0.000 0.514 100 R N 0.698 121.194 120.500 -0.007 0.000 2.508 100 R HA 0.291 4.738 4.340 0.178 0.000 0.300 100 R C 1.021 177.318 176.300 -0.006 0.000 0.970 100 R CA 0.090 56.186 56.100 -0.007 0.000 1.102 100 R CB 0.736 31.033 30.300 -0.006 0.000 1.246 100 R HN 0.429 nan 8.270 nan 0.000 0.539 101 G N 1.859 110.657 108.800 -0.005 0.000 2.543 101 G HA2 0.303 4.370 3.960 0.178 0.000 0.290 101 G HA3 0.303 4.370 3.960 0.178 0.000 0.290 101 G C -2.351 172.547 174.900 -0.003 0.000 1.310 101 G CA -1.020 44.078 45.100 -0.003 0.000 1.025 101 G HN -0.110 nan 8.290 nan 0.000 0.502 102 P HA 0.150 nan 4.420 nan 0.000 0.271 102 P C -0.084 177.216 177.300 0.000 0.000 1.218 102 P CA 0.034 63.134 63.100 0.000 0.000 0.780 102 P CB 0.558 32.260 31.700 0.003 0.000 0.901 103 T N 3.353 117.906 114.554 -0.001 0.000 2.870 103 T HA 0.223 4.680 4.350 0.178 0.000 0.300 103 T C 0.580 175.284 174.700 0.006 0.000 0.989 103 T CA -0.064 62.036 62.100 -0.001 0.000 1.139 103 T CB -0.092 68.774 68.868 -0.003 0.000 0.920 103 T HN 0.188 nan 8.240 nan 0.000 0.537 104 L N 3.680 124.908 121.223 0.008 0.000 2.375 104 L HA 0.313 4.760 4.340 0.178 0.000 0.271 104 L C 1.537 178.422 176.870 0.025 0.000 1.107 104 L CA -0.773 54.078 54.840 0.017 0.000 0.806 104 L CB 0.620 42.692 42.059 0.020 0.000 1.146 104 L HN 0.508 nan 8.230 nan 0.000 0.447 105 L N 2.159 123.400 121.223 0.031 0.000 2.191 105 L HA -0.185 4.262 4.340 0.178 0.000 0.212 105 L C 2.258 179.164 176.870 0.060 0.000 1.103 105 L CA 1.634 56.498 54.840 0.040 0.000 0.769 105 L CB -0.595 41.485 42.059 0.035 0.000 0.908 105 L HN 0.801 nan 8.230 nan 0.000 0.438 106 E N -1.410 118.830 120.200 0.067 0.000 2.516 106 E HA -0.169 4.288 4.350 0.178 0.000 0.199 106 E C 0.136 176.829 176.600 0.155 0.000 1.069 106 E CA 0.263 56.728 56.400 0.109 0.000 0.876 106 E CB -0.605 29.153 29.700 0.097 0.000 0.843 106 E HN 0.396 nan 8.360 nan 0.000 0.530 107 D N 1.117 121.566 120.400 0.083 0.000 2.470 107 D HA -0.031 4.716 4.640 0.178 0.000 0.226 107 D C 0.381 176.694 176.300 0.022 0.000 1.196 107 D CA -0.579 53.426 54.000 0.008 0.000 0.979 107 D CB -0.063 40.715 40.800 -0.037 0.000 1.059 107 D HN 0.273 nan 8.370 nan 0.000 0.515 108 F N 2.089 122.044 119.950 0.008 0.000 2.407 108 F HA 0.102 4.733 4.527 0.174 0.000 0.299 108 F C 1.593 177.400 175.800 0.011 0.000 1.097 108 F CA 0.104 58.111 58.000 0.011 0.000 1.422 108 F CB -0.707 38.298 39.000 0.009 0.000 1.067 108 F HN 0.198 nan 8.300 nan 0.000 0.539 109 I N 0.328 120.539 120.570 -0.598 0.000 2.286 109 I HA -0.169 4.108 4.170 0.178 0.000 0.245 109 I C 2.448 178.469 176.117 -0.159 0.000 1.104 109 I CA 0.917 61.983 61.300 -0.391 0.000 1.397 109 I CB -0.466 37.231 38.000 -0.505 0.000 1.072 109 I HN 0.266 nan 8.210 nan 0.000 0.417 110 L N 1.342 122.482 121.223 -0.138 0.000 2.017 110 L HA -0.200 4.247 4.340 0.178 0.000 0.208 110 L C 2.684 179.548 176.870 -0.010 0.000 1.073 110 L CA 1.797 56.598 54.840 -0.065 0.000 0.745 110 L CB -0.612 41.414 42.059 -0.054 0.000 0.894 110 L HN 0.095 nan 8.230 nan 0.000 0.432 111 R N -0.363 120.147 120.500 0.017 0.000 2.083 111 R HA -0.246 4.201 4.340 0.178 0.000 0.237 111 R C 2.373 178.721 176.300 0.080 0.000 1.137 111 R CA 1.990 58.126 56.100 0.060 0.000 0.951 111 R CB -0.502 29.848 30.300 0.083 0.000 0.851 111 R HN 0.664 nan 8.270 nan 0.000 0.434 112 E N 0.525 120.774 120.200 0.081 0.000 2.058 112 E HA -0.269 4.188 4.350 0.178 0.000 0.194 112 E C 1.928 178.593 176.600 0.108 0.000 0.997 112 E CA 1.515 57.974 56.400 0.097 0.000 0.801 112 E CB -0.007 29.749 29.700 0.093 0.000 0.746 112 E HN 0.305 nan 8.360 nan 0.000 0.450 113 K N 0.146 120.588 120.400 0.069 0.000 2.002 113 K HA -0.149 4.277 4.320 0.178 0.000 0.209 113 K C 2.166 178.847 176.600 0.135 0.000 1.048 113 K CA 1.445 57.775 56.287 0.071 0.000 0.930 113 K CB -0.057 32.446 32.500 0.004 0.000 0.714 113 K HN 0.146 nan 8.250 nan 0.000 0.438 114 I N 1.393 122.026 120.570 0.106 0.000 2.286 114 I HA -0.201 4.075 4.170 0.178 0.000 0.248 114 I C 2.163 178.429 176.117 0.249 0.000 1.115 114 I CA 1.447 62.842 61.300 0.158 0.000 1.392 114 I CB -1.541 36.512 38.000 0.088 0.000 1.065 114 I HN 0.243 nan 8.210 nan 0.000 0.418 115 T N -0.357 114.318 114.554 0.202 0.000 2.788 115 T HA -0.220 4.237 4.350 0.178 0.000 0.268 115 T C 1.948 176.804 174.700 0.260 0.000 1.044 115 T CA 1.458 63.692 62.100 0.223 0.000 1.139 115 T CB -0.395 68.557 68.868 0.140 0.000 0.867 115 T HN 0.367 nan 8.240 nan 0.000 0.454 116 H N -0.064 119.094 119.070 0.148 0.000 2.403 116 H HA 0.025 4.684 4.556 0.171 0.000 0.298 116 H C 2.137 177.543 175.328 0.130 0.000 1.059 116 H CA 1.046 57.161 56.048 0.112 0.000 1.363 116 H CB -0.358 29.445 29.762 0.069 0.000 1.410 116 H HN 0.395 nan 8.280 nan 0.000 0.528 117 F N 2.199 122.253 119.950 0.173 0.000 2.095 117 F HA -0.210 4.348 4.527 0.052 0.000 0.298 117 F C 1.924 177.740 175.800 0.026 0.000 1.104 117 F CA 1.848 59.901 58.000 0.087 0.000 1.232 117 F CB -0.339 38.696 39.000 0.059 0.000 0.987 117 F HN 0.054 nan 8.300 nan 0.000 0.475 118 D N -1.159 119.263 120.400 0.037 0.000 2.309 118 D HA -0.160 4.587 4.640 0.178 0.000 0.212 118 D C 1.330 177.441 176.300 -0.315 0.000 0.968 118 D CA 1.264 55.191 54.000 -0.123 0.000 0.882 118 D CB -0.418 40.406 40.800 0.039 0.000 0.918 118 D HN 0.534 nan 8.370 nan 0.000 0.503 119 H N -0.456 118.483 119.070 -0.217 0.000 2.512 119 H HA 0.199 4.832 4.556 0.129 0.000 0.276 119 H C 0.944 176.096 175.328 -0.293 0.000 1.126 119 H CA -0.053 55.861 56.048 -0.224 0.000 1.060 119 H CB 0.749 30.381 29.762 -0.216 0.000 1.646 119 H HN 0.258 nan 8.280 nan 0.000 0.571 120 E N 0.617 120.656 120.200 -0.269 0.000 2.152 120 E HA -0.023 4.434 4.350 0.178 0.000 0.192 120 E C 0.567 177.012 176.600 -0.258 0.000 0.983 120 E CA 0.435 56.648 56.400 -0.311 0.000 0.818 120 E CB 0.495 30.003 29.700 -0.321 0.000 0.758 120 E HN 0.168 nan 8.360 nan 0.000 0.467 121 R N 1.364 121.760 120.500 -0.174 0.000 2.490 121 R HA 0.338 4.785 4.340 0.178 0.000 0.278 121 R C 0.485 176.803 176.300 0.030 0.000 1.069 121 R CA -0.154 55.915 56.100 -0.051 0.000 1.080 121 R CB 0.718 30.975 30.300 -0.071 0.000 1.030 121 R HN 0.174 nan 8.270 nan 0.000 0.491 122 I N -1.128 119.524 120.570 0.138 0.000 2.957 122 I HA 0.572 4.849 4.170 0.178 0.000 0.310 122 I C -2.252 173.904 176.117 0.065 0.000 1.063 122 I CA -3.004 58.363 61.300 0.111 0.000 1.033 122 I CB 1.761 39.860 38.000 0.165 0.000 1.230 122 I HN 0.241 nan 8.210 nan 0.000 0.447 123 P HA 0.085 nan 4.420 nan 0.000 0.265 123 P C -0.793 176.513 177.300 0.011 0.000 1.193 123 P CA -0.010 63.095 63.100 0.008 0.000 0.765 123 P CB 0.403 32.096 31.700 -0.011 0.000 0.823 124 E N 2.859 123.068 120.200 0.015 0.000 2.397 124 E HA 0.176 4.633 4.350 0.178 0.000 0.254 124 E C -0.410 176.191 176.600 0.001 0.000 1.231 124 E CA -0.802 55.611 56.400 0.021 0.000 0.954 124 E CB 0.546 30.264 29.700 0.030 0.000 1.024 124 E HN 0.277 nan 8.360 nan 0.000 0.481 125 R N 0.460 120.964 120.500 0.006 0.000 2.643 125 R HA 0.103 4.550 4.340 0.178 0.000 0.270 125 R C 1.242 177.541 176.300 -0.001 0.000 1.061 125 R CA -0.043 56.052 56.100 -0.008 0.000 1.107 125 R CB 0.260 30.565 30.300 0.009 0.000 0.999 125 R HN 0.577 nan 8.270 nan 0.000 0.460 126 I N 1.209 121.771 120.570 -0.012 0.000 2.208 126 I HA -0.192 4.085 4.170 0.178 0.000 0.245 126 I C 0.889 177.021 176.117 0.025 0.000 1.097 126 I CA 1.181 62.483 61.300 0.003 0.000 1.363 126 I CB -0.249 37.757 38.000 0.009 0.000 1.051 126 I HN 0.358 nan 8.210 nan 0.000 0.413 127 V N -2.561 117.384 119.914 0.051 0.000 2.962 127 V HA 0.505 4.732 4.120 0.178 0.000 0.313 127 V C -0.311 175.836 176.094 0.087 0.000 1.099 127 V CA -1.013 61.341 62.300 0.091 0.000 0.971 127 V CB 1.502 33.435 31.823 0.183 0.000 1.028 127 V HN 0.446 nan 8.190 nan 0.000 0.430 128 N N 0.432 119.192 118.700 0.100 0.000 2.776 128 N HA -0.175 4.672 4.740 0.178 0.000 0.249 128 N C 0.984 176.537 175.510 0.071 0.000 1.111 128 N CA 1.032 54.136 53.050 0.089 0.000 0.711 128 N CB -1.262 37.271 38.487 0.076 0.000 1.065 128 N HN 1.282 nan 8.380 nan 0.000 0.556 129 A N -0.242 122.619 122.820 0.068 0.000 1.933 129 A HA -0.051 4.376 4.320 0.178 0.000 0.218 129 A C 1.443 179.088 177.584 0.101 0.000 1.175 129 A CA 1.324 53.402 52.037 0.069 0.000 0.628 129 A CB -0.038 18.994 19.000 0.054 0.000 0.814 129 A HN 0.321 nan 8.150 nan 0.000 0.444 130 R N 0.379 120.946 120.500 0.111 0.000 2.210 130 R HA 0.495 4.942 4.340 0.178 0.000 0.338 130 R C -0.130 176.270 176.300 0.166 0.000 1.062 130 R CA 0.700 56.889 56.100 0.148 0.000 0.902 130 R CB 0.020 30.403 30.300 0.138 0.000 1.050 130 R HN 0.335 nan 8.270 nan 0.000 0.461 131 G N 0.860 109.779 108.800 0.198 0.000 2.704 131 G HA2 0.512 4.579 3.960 0.178 0.000 0.293 131 G HA3 0.512 4.579 3.960 0.178 0.000 0.293 131 G C -1.553 173.476 174.900 0.216 0.000 1.421 131 G CA -0.580 44.603 45.100 0.139 0.000 0.870 131 G HN 0.475 nan 8.290 nan 0.000 0.492 132 S N -0.947 114.832 115.700 0.132 0.000 2.521 132 S HA 0.880 5.457 4.470 0.178 0.000 0.295 132 S C -0.024 174.566 174.600 -0.017 0.000 1.098 132 S CA -0.148 58.182 58.200 0.217 0.000 0.999 132 S CB 1.693 65.147 63.200 0.423 0.000 1.034 132 S HN 1.410 nan 8.310 nan 0.000 0.483 133 A N 1.674 124.454 122.820 -0.068 0.000 2.485 133 A HA 1.052 5.478 4.320 0.178 0.000 0.292 133 A C -0.971 176.433 177.584 -0.299 0.000 1.147 133 A CA -0.720 51.075 52.037 -0.403 0.000 0.750 133 A CB 1.581 20.166 19.000 -0.692 0.000 1.331 133 A HN 1.416 nan 8.150 nan 0.000 0.419 134 A N 0.075 122.560 122.820 -0.558 0.000 2.599 134 A HA 0.652 5.078 4.320 0.178 0.000 0.294 134 A C -1.190 176.241 177.584 -0.256 0.000 1.055 134 A CA -0.685 51.199 52.037 -0.254 0.000 0.683 134 A CB 0.546 19.489 19.000 -0.095 0.000 1.278 134 A HN 0.883 nan 8.150 nan 0.000 0.412 135 H N -0.172 118.929 119.070 0.052 0.000 2.505 135 H HA 0.701 5.363 4.556 0.178 0.000 0.355 135 H C 0.687 176.016 175.328 0.003 0.000 1.179 135 H CA 0.822 56.951 56.048 0.135 0.000 1.343 135 H CB 1.825 31.666 29.762 0.131 0.000 1.501 135 H HN 1.198 nan 8.280 nan 0.000 0.569 136 G N 0.496 109.397 108.800 0.168 0.000 2.510 136 G HA2 0.337 4.404 3.960 0.178 0.000 0.277 136 G HA3 0.337 4.404 3.960 0.178 0.000 0.277 136 G C -2.020 173.004 174.900 0.206 0.000 1.223 136 G CA -0.611 44.541 45.100 0.086 0.000 0.887 136 G HN 0.636 nan 8.290 nan 0.000 0.485 137 Y N -1.759 118.575 120.300 0.056 0.000 2.625 137 Y HA 0.848 5.505 4.550 0.178 0.000 0.338 137 Y C -1.643 174.393 175.900 0.227 0.000 1.123 137 Y CA -1.927 56.251 58.100 0.130 0.000 1.046 137 Y CB 1.921 40.433 38.460 0.088 0.000 1.299 137 Y HN 0.809 nan 8.280 nan 0.000 0.464 138 F N 1.909 122.020 119.950 0.269 0.000 2.563 138 F HA 0.682 5.316 4.527 0.178 0.000 0.316 138 F C -1.267 174.733 175.800 0.333 0.000 1.076 138 F CA -0.665 57.497 58.000 0.270 0.000 0.921 138 F CB 2.418 41.699 39.000 0.469 0.000 1.209 138 F HN 0.773 nan 8.300 nan 0.000 0.462 139 Q N 6.871 126.116 119.800 -0.926 0.000 2.280 139 Q HA 0.426 4.873 4.340 0.178 0.000 0.259 139 Q C -2.985 172.400 176.000 -1.026 0.000 0.964 139 Q CA -2.301 53.131 55.803 -0.619 0.000 0.844 139 Q CB 2.810 31.470 28.738 -0.129 0.000 1.334 139 Q HN 0.348 nan 8.270 nan 0.000 0.423 140 P HA 0.016 nan 4.420 nan 0.000 0.275 140 P C -0.388 176.765 177.300 -0.246 0.000 1.227 140 P CA 0.205 63.056 63.100 -0.416 0.000 0.781 140 P CB 0.505 32.153 31.700 -0.086 0.000 0.906 141 Y N 1.552 121.783 120.300 -0.115 0.000 2.242 141 Y HA -0.110 4.547 4.550 0.178 0.000 0.291 141 Y C 1.657 177.527 175.900 -0.049 0.000 1.137 141 Y CA 0.727 58.785 58.100 -0.070 0.000 1.181 141 Y CB 0.123 38.552 38.460 -0.052 0.000 0.989 141 Y HN 0.379 nan 8.280 nan 0.000 0.527 142 K N -1.035 119.424 120.400 0.098 0.000 2.533 142 K HA 0.379 4.806 4.320 0.178 0.000 0.284 142 K C -1.020 175.586 176.600 0.011 0.000 1.025 142 K CA -0.926 55.390 56.287 0.049 0.000 0.900 142 K CB 1.550 34.080 32.500 0.050 0.000 1.519 142 K HN -0.241 nan 8.250 nan 0.000 0.432 143 S N 0.671 116.373 115.700 0.005 0.000 2.531 143 S HA 0.232 4.809 4.470 0.178 0.000 0.279 143 S C 0.452 175.042 174.600 -0.016 0.000 1.305 143 S CA -0.727 57.467 58.200 -0.010 0.000 1.058 143 S CB -0.167 63.029 63.200 -0.006 0.000 0.899 143 S HN 0.532 nan 8.310 nan 0.000 0.493 144 L N 4.757 125.960 121.223 -0.033 0.000 2.818 144 L HA 0.125 4.572 4.340 0.178 0.000 0.243 144 L C 2.142 178.994 176.870 -0.030 0.000 1.185 144 L CA 0.054 54.881 54.840 -0.022 0.000 0.988 144 L CB -0.227 41.825 42.059 -0.013 0.000 1.292 144 L HN 0.871 nan 8.230 nan 0.000 0.519 145 S N -1.389 114.290 115.700 -0.034 0.000 2.440 145 S HA -0.217 4.359 4.470 0.178 0.000 0.240 145 S C 1.313 175.894 174.600 -0.032 0.000 1.014 145 S CA 1.294 59.472 58.200 -0.037 0.000 0.980 145 S CB -0.172 63.011 63.200 -0.028 0.000 0.775 145 S HN 0.411 nan 8.310 nan 0.000 0.499 146 D N 2.009 122.396 120.400 -0.022 0.000 2.178 146 D HA -0.008 4.739 4.640 0.178 0.000 0.202 146 D C 1.909 178.190 176.300 -0.032 0.000 0.974 146 D CA 1.605 55.592 54.000 -0.022 0.000 0.841 146 D CB -0.200 40.593 40.800 -0.011 0.000 0.953 146 D HN 0.804 nan 8.370 nan 0.000 0.478 147 I N -3.581 116.971 120.570 -0.030 0.000 3.939 147 I HA 0.189 4.466 4.170 0.178 0.000 0.313 147 I C 0.554 176.624 176.117 -0.078 0.000 1.274 147 I CA 0.094 61.366 61.300 -0.047 0.000 1.301 147 I CB 1.012 39.004 38.000 -0.013 0.000 1.105 147 I HN -0.258 nan 8.210 nan 0.000 0.427 148 T N 1.473 115.983 114.554 -0.073 0.000 2.956 148 T HA 0.338 4.795 4.350 0.178 0.000 0.312 148 T C 0.045 174.685 174.700 -0.100 0.000 1.151 148 T CA -0.762 61.274 62.100 -0.106 0.000 1.024 148 T CB 1.712 70.505 68.868 -0.124 0.000 1.140 148 T HN 0.421 nan 8.240 nan 0.000 0.473 149 K N 2.484 122.821 120.400 -0.105 0.000 2.458 149 K HA 0.536 4.963 4.320 0.178 0.000 0.194 149 K C 0.754 177.309 176.600 -0.075 0.000 1.024 149 K CA -0.301 55.937 56.287 -0.081 0.000 1.108 149 K CB 0.203 32.659 32.500 -0.074 0.000 0.846 149 K HN 0.473 nan 8.250 nan 0.000 0.518 150 A N 2.193 124.949 122.820 -0.107 0.000 2.537 150 A HA -0.059 4.368 4.320 0.178 0.000 0.260 150 A C 0.543 178.091 177.584 -0.061 0.000 1.082 150 A CA 0.042 52.030 52.037 -0.081 0.000 0.765 150 A CB -0.076 18.820 19.000 -0.173 0.000 1.019 150 A HN 0.447 nan 8.150 nan 0.000 0.507 151 D N 2.263 122.695 120.400 0.053 0.000 2.158 151 D HA -0.266 4.481 4.640 0.178 0.000 0.197 151 D C 1.375 177.751 176.300 0.127 0.000 0.995 151 D CA 2.457 56.506 54.000 0.082 0.000 0.846 151 D CB -0.239 40.628 40.800 0.112 0.000 0.941 151 D HN 0.780 nan 8.370 nan 0.000 0.456 152 F N -0.693 119.276 119.950 0.032 0.000 2.546 152 F HA 0.113 4.747 4.527 0.179 0.000 0.298 152 F C 1.055 176.942 175.800 0.145 0.000 1.120 152 F CA 0.451 58.510 58.000 0.099 0.000 1.456 152 F CB -0.207 38.837 39.000 0.073 0.000 1.088 152 F HN -0.050 nan 8.300 nan 0.000 0.572 153 L N 0.678 121.600 121.223 -0.502 0.000 2.857 153 L HA 0.203 4.650 4.340 0.178 0.000 0.249 153 L C 1.851 178.636 176.870 -0.142 0.000 1.172 153 L CA 0.356 54.977 54.840 -0.366 0.000 0.980 153 L CB -0.048 41.698 42.059 -0.522 0.000 1.299 153 L HN 0.288 nan 8.230 nan 0.000 0.535 154 S N -2.597 113.058 115.700 -0.074 0.000 2.548 154 S HA 0.075 4.652 4.470 0.178 0.000 0.215 154 S C 0.367 174.964 174.600 -0.004 0.000 0.976 154 S CA -0.198 57.982 58.200 -0.034 0.000 0.908 154 S CB 0.129 63.319 63.200 -0.017 0.000 0.781 154 S HN 0.302 nan 8.310 nan 0.000 0.519 155 D N 0.883 121.290 120.400 0.012 0.000 2.764 155 D HA 0.308 5.055 4.640 0.178 0.000 0.227 155 D C -2.549 173.765 176.300 0.023 0.000 1.347 155 D CA -1.754 52.259 54.000 0.022 0.000 0.953 155 D CB 2.286 43.107 40.800 0.036 0.000 1.476 155 D HN -0.144 nan 8.370 nan 0.000 0.585 156 P HA -0.022 nan 4.420 nan 0.000 0.223 156 P C 0.406 177.718 177.300 0.019 0.000 1.151 156 P CA 0.605 63.713 63.100 0.013 0.000 0.787 156 P CB 0.431 32.148 31.700 0.029 0.000 0.788 157 N N -0.098 118.617 118.700 0.025 0.000 2.268 157 N HA 0.018 4.865 4.740 0.178 0.000 0.204 157 N C 0.494 176.024 175.510 0.033 0.000 1.124 157 N CA 0.157 53.222 53.050 0.025 0.000 0.838 157 N CB 0.476 38.975 38.487 0.020 0.000 0.994 157 N HN 0.309 nan 8.380 nan 0.000 0.489 158 K N 2.109 122.539 120.400 0.050 0.000 2.263 158 K HA 0.323 4.750 4.320 0.178 0.000 0.272 158 K C -0.344 176.329 176.600 0.121 0.000 1.033 158 K CA -0.548 55.789 56.287 0.083 0.000 0.884 158 K CB 0.754 33.315 32.500 0.102 0.000 1.107 158 K HN 0.083 nan 8.250 nan 0.000 0.460 159 I N 0.790 121.436 120.570 0.127 0.000 2.525 159 I HA 0.450 4.727 4.170 0.178 0.000 0.301 159 I C -0.852 175.431 176.117 0.277 0.000 0.992 159 I CA -0.434 60.983 61.300 0.196 0.000 1.162 159 I CB 2.248 40.324 38.000 0.127 0.000 1.332 159 I HN 0.359 nan 8.210 nan 0.000 0.458 160 T N 6.162 120.975 114.554 0.433 0.000 2.770 160 T HA 0.452 4.909 4.350 0.178 0.000 0.283 160 T C -2.547 172.404 174.700 0.420 0.000 0.988 160 T CA -1.168 61.205 62.100 0.455 0.000 0.957 160 T CB 1.309 70.556 68.868 0.632 0.000 0.930 160 T HN 0.482 nan 8.240 nan 0.000 0.443 161 P HA 0.258 nan 4.420 nan 0.000 0.268 161 P C -0.525 177.002 177.300 0.378 0.000 1.205 161 P CA -0.384 62.889 63.100 0.288 0.000 0.771 161 P CB 0.556 32.338 31.700 0.136 0.000 0.858 162 V N 0.326 120.412 119.914 0.287 0.000 3.141 162 V HA 0.757 4.984 4.120 0.178 0.000 0.312 162 V C -1.475 174.796 176.094 0.294 0.000 1.157 162 V CA -0.932 61.464 62.300 0.159 0.000 1.041 162 V CB 2.331 34.008 31.823 -0.243 0.000 1.071 162 V HN 0.299 nan 8.190 nan 0.000 0.441 163 F N 1.334 121.273 119.950 -0.018 0.000 2.617 163 F HA 0.818 5.452 4.527 0.177 0.000 0.325 163 F C -0.970 174.749 175.800 -0.135 0.000 1.179 163 F CA -0.722 57.221 58.000 -0.096 0.000 0.965 163 F CB 1.769 40.740 39.000 -0.048 0.000 1.232 163 F HN 0.528 nan 8.300 nan 0.000 0.461 164 V N 6.398 125.864 119.914 -0.747 0.000 2.628 164 V HA 0.617 4.844 4.120 0.178 0.000 0.306 164 V C -0.692 174.750 176.094 -1.086 0.000 1.045 164 V CA -0.843 60.957 62.300 -0.834 0.000 0.905 164 V CB 2.120 33.426 31.823 -0.863 0.000 0.997 164 V HN 0.704 nan 8.190 nan 0.000 0.436 165 R N 3.296 123.141 120.500 -1.092 0.000 2.502 165 R HA 0.590 5.037 4.340 0.178 0.000 0.300 165 R C -1.729 173.941 176.300 -1.050 0.000 0.984 165 R CA -0.429 55.126 56.100 -0.908 0.000 0.882 165 R CB 1.200 31.181 30.300 -0.530 0.000 1.180 165 R HN 0.545 nan 8.270 nan 0.000 0.444 166 F N 1.875 121.412 119.950 -0.689 0.000 2.399 166 F HA 0.554 5.188 4.527 0.178 0.000 0.328 166 F C 0.609 176.043 175.800 -0.610 0.000 1.084 166 F CA -0.130 57.339 58.000 -0.885 0.000 1.053 166 F CB 2.065 39.999 39.000 -1.778 0.000 1.209 166 F HN 0.623 nan 8.300 nan 0.000 0.502 167 S N -1.131 114.448 115.700 -0.202 0.000 2.636 167 S HA 0.659 5.235 4.470 0.178 0.000 0.268 167 S C -0.682 174.011 174.600 0.154 0.000 1.159 167 S CA -0.870 57.337 58.200 0.011 0.000 0.815 167 S CB 1.321 64.516 63.200 -0.008 0.000 1.130 167 S HN 0.732 nan 8.310 nan 0.000 0.471 168 T N -1.668 113.004 114.554 0.197 0.000 2.880 168 T HA 0.726 5.183 4.350 0.178 0.000 0.279 168 T C 0.741 175.543 174.700 0.169 0.000 0.990 168 T CA -0.248 61.976 62.100 0.207 0.000 0.938 168 T CB 0.695 69.681 68.868 0.197 0.000 1.206 168 T HN 0.623 nan 8.240 nan 0.000 0.573 169 V N -0.123 119.895 119.914 0.172 0.000 2.854 169 V HA 0.092 4.319 4.120 0.178 0.000 0.236 169 V C 2.779 178.940 176.094 0.113 0.000 1.157 169 V CA 0.367 62.771 62.300 0.174 0.000 1.187 169 V CB -0.305 31.673 31.823 0.259 0.000 0.949 169 V HN 0.870 nan 8.190 nan 0.000 0.488 170 Q N 1.156 121.001 119.800 0.075 0.000 2.020 170 Q HA 0.020 4.467 4.340 0.178 0.000 0.198 170 Q C 1.354 177.357 176.000 0.006 0.000 0.974 170 Q CA 1.484 57.293 55.803 0.010 0.000 0.829 170 Q CB -0.491 28.227 28.738 -0.032 0.000 0.894 170 Q HN 0.588 nan 8.270 nan 0.000 0.433 171 G N -0.130 108.684 108.800 0.025 0.000 2.664 171 G HA2 0.311 4.378 3.960 0.178 0.000 0.242 171 G HA3 0.311 4.378 3.960 0.178 0.000 0.242 171 G C 0.184 175.097 174.900 0.022 0.000 1.225 171 G CA 0.112 45.222 45.100 0.016 0.000 0.849 171 G HN 0.362 nan 8.290 nan 0.000 0.581 172 G N -1.156 107.647 108.800 0.006 0.000 2.621 172 G HA2 0.494 4.561 3.960 0.178 0.000 0.271 172 G HA3 0.494 4.561 3.960 0.178 0.000 0.271 172 G C 1.290 176.212 174.900 0.037 0.000 1.236 172 G CA 0.407 45.514 45.100 0.012 0.000 0.958 172 G HN 1.092 nan 8.290 nan 0.000 0.512 173 A N -0.769 122.079 122.820 0.047 0.000 2.070 173 A HA 0.142 4.568 4.320 0.178 0.000 0.220 173 A C 2.166 179.782 177.584 0.054 0.000 1.159 173 A CA 1.924 54.007 52.037 0.077 0.000 0.656 173 A CB -0.314 18.745 19.000 0.100 0.000 0.800 173 A HN 1.099 nan 8.150 nan 0.000 0.453 174 G N -0.251 108.563 108.800 0.024 0.000 3.337 174 G HA2 0.340 4.407 3.960 0.178 0.000 0.246 174 G HA3 0.340 4.407 3.960 0.178 0.000 0.246 174 G C 0.666 175.566 174.900 0.000 0.000 1.131 174 G CA 0.654 45.755 45.100 0.001 0.000 0.773 174 G HN 0.641 nan 8.290 nan 0.000 0.544 175 S N -0.190 115.519 115.700 0.016 0.000 2.661 175 S HA 0.741 5.318 4.470 0.178 0.000 0.265 175 S C 0.453 175.067 174.600 0.023 0.000 1.225 175 S CA -0.101 58.107 58.200 0.013 0.000 0.986 175 S CB 1.599 64.810 63.200 0.018 0.000 1.008 175 S HN 0.556 nan 8.310 nan 0.000 0.565 176 A N 0.268 123.098 122.820 0.016 0.000 2.340 176 A HA 0.404 4.831 4.320 0.178 0.000 0.268 176 A C 0.608 178.209 177.584 0.028 0.000 1.100 176 A CA -0.593 51.449 52.037 0.008 0.000 0.803 176 A CB -0.094 18.896 19.000 -0.017 0.000 1.043 176 A HN 0.862 nan 8.150 nan 0.000 0.488 177 D N 0.723 121.125 120.400 0.004 0.000 2.137 177 D HA -0.071 4.676 4.640 0.178 0.000 0.202 177 D C 1.595 177.844 176.300 -0.085 0.000 0.970 177 D CA 2.202 56.203 54.000 0.001 0.000 0.837 177 D CB -0.207 40.557 40.800 -0.059 0.000 0.981 177 D HN 0.684 nan 8.370 nan 0.000 0.475 178 T N -0.223 114.226 114.554 -0.176 0.000 3.330 178 T HA 0.275 4.732 4.350 0.178 0.000 0.249 178 T C 0.929 175.623 174.700 -0.010 0.000 0.980 178 T CA -0.540 61.456 62.100 -0.172 0.000 0.920 178 T CB -0.907 67.798 68.868 -0.271 0.000 1.065 178 T HN -0.072 nan 8.240 nan 0.000 0.588 179 V N -1.219 118.735 119.914 0.067 0.000 3.503 179 V HA 0.400 4.627 4.120 0.178 0.000 0.300 179 V C 0.712 176.953 176.094 0.246 0.000 1.099 179 V CA -1.352 61.044 62.300 0.159 0.000 1.117 179 V CB 0.291 32.195 31.823 0.135 0.000 1.122 179 V HN 0.535 nan 8.190 nan 0.000 0.476 180 R N 1.361 122.056 120.500 0.325 0.000 2.202 180 R HA 0.496 4.943 4.340 0.178 0.000 0.334 180 R C -0.928 175.460 176.300 0.148 0.000 1.036 180 R CA -0.102 56.143 56.100 0.241 0.000 0.878 180 R CB 0.251 30.612 30.300 0.102 0.000 1.067 180 R HN 1.074 nan 8.270 nan 0.000 0.457 181 D N 3.188 123.687 120.400 0.165 0.000 2.764 181 D HA 0.184 4.931 4.640 0.178 0.000 0.293 181 D C -0.686 175.738 176.300 0.206 0.000 1.287 181 D CA -0.594 53.500 54.000 0.157 0.000 0.768 181 D CB 1.172 42.063 40.800 0.152 0.000 1.288 181 D HN 0.241 nan 8.370 nan 0.000 0.426 182 I N 1.205 121.921 120.570 0.243 0.000 2.823 182 I HA 0.297 4.573 4.170 0.178 0.000 0.290 182 I C 0.769 177.035 176.117 0.249 0.000 1.091 182 I CA -0.252 61.195 61.300 0.244 0.000 1.365 182 I CB 0.364 38.541 38.000 0.296 0.000 1.427 182 I HN 0.254 nan 8.210 nan 0.000 0.583 183 R N 2.352 122.998 120.500 0.244 0.000 2.664 183 R HA 0.566 5.013 4.340 0.178 0.000 0.286 183 R C -0.111 176.311 176.300 0.203 0.000 0.967 183 R CA -0.758 55.488 56.100 0.243 0.000 0.933 183 R CB 1.465 31.933 30.300 0.280 0.000 1.146 183 R HN 0.800 nan 8.270 nan 0.000 0.468 184 G N 0.663 109.545 108.800 0.137 0.000 2.425 184 G HA2 0.506 4.573 3.960 0.178 0.000 0.302 184 G HA3 0.506 4.573 3.960 0.178 0.000 0.302 184 G C -1.334 173.593 174.900 0.044 0.000 1.159 184 G CA -0.104 45.043 45.100 0.078 0.000 0.865 184 G HN 0.341 nan 8.290 nan 0.000 0.515 185 F N 1.568 121.421 119.950 -0.162 0.000 2.902 185 F HA 0.651 5.285 4.527 0.178 0.000 0.368 185 F C -0.194 175.337 175.800 -0.449 0.000 1.202 185 F CA -1.719 56.105 58.000 -0.294 0.000 1.109 185 F CB 1.150 40.075 39.000 -0.124 0.000 1.418 185 F HN 0.662 nan 8.300 nan 0.000 0.527 186 A N 3.388 125.957 122.820 -0.419 0.000 2.343 186 A HA 0.806 5.233 4.320 0.178 0.000 0.316 186 A C -0.754 176.381 177.584 -0.749 0.000 1.104 186 A CA -0.495 51.132 52.037 -0.684 0.000 0.768 186 A CB 1.040 19.288 19.000 -1.254 0.000 1.213 186 A HN 0.523 nan 8.150 nan 0.000 0.456 187 T N 2.169 116.452 114.554 -0.450 0.000 2.812 187 T HA 0.421 4.878 4.350 0.178 0.000 0.282 187 T C -0.408 174.111 174.700 -0.301 0.000 0.990 187 T CA -0.497 61.355 62.100 -0.413 0.000 0.960 187 T CB 1.168 69.748 68.868 -0.480 0.000 0.948 187 T HN 0.632 nan 8.240 nan 0.000 0.438 188 K N 3.440 123.729 120.400 -0.185 0.000 2.293 188 K HA 0.438 4.865 4.320 0.178 0.000 0.267 188 K C -1.265 175.001 176.600 -0.557 0.000 1.010 188 K CA -0.622 55.478 56.287 -0.312 0.000 0.875 188 K CB 0.384 32.674 32.500 -0.350 0.000 1.106 188 K HN 0.404 nan 8.250 nan 0.000 0.450 189 F N 4.412 124.099 119.950 -0.437 0.000 2.390 189 F HA 0.214 4.848 4.527 0.179 0.000 0.361 189 F C -0.364 175.271 175.800 -0.275 0.000 1.124 189 F CA -0.473 57.339 58.000 -0.314 0.000 1.149 189 F CB 0.565 39.293 39.000 -0.453 0.000 1.160 189 F HN 0.455 nan 8.300 nan 0.000 0.501 190 Y N 1.893 122.249 120.300 0.094 0.000 2.724 190 Y HA 0.200 4.856 4.550 0.177 0.000 0.332 190 Y C 1.103 177.064 175.900 0.102 0.000 1.276 190 Y CA -0.943 57.197 58.100 0.067 0.000 1.597 190 Y CB -0.340 38.146 38.460 0.043 0.000 1.584 190 Y HN 0.542 nan 8.280 nan 0.000 0.478 191 T N -2.625 112.040 114.554 0.186 0.000 2.788 191 T HA 0.119 4.576 4.350 0.178 0.000 0.287 191 T C 1.000 175.795 174.700 0.158 0.000 1.007 191 T CA -0.648 61.563 62.100 0.185 0.000 1.005 191 T CB 1.006 69.962 68.868 0.147 0.000 1.012 191 T HN 0.653 nan 8.240 nan 0.000 0.530 192 E N -0.003 120.290 120.200 0.155 0.000 2.427 192 E HA -0.016 4.441 4.350 0.178 0.000 0.196 192 E C 1.023 177.682 176.600 0.099 0.000 1.028 192 E CA 0.610 57.081 56.400 0.118 0.000 0.864 192 E CB 0.115 29.879 29.700 0.106 0.000 0.813 192 E HN 0.757 nan 8.360 nan 0.000 0.514 193 E N 0.536 120.798 120.200 0.102 0.000 2.651 193 E HA 0.277 4.734 4.350 0.178 0.000 0.208 193 E C 0.055 176.696 176.600 0.068 0.000 0.997 193 E CA -0.278 56.173 56.400 0.085 0.000 1.020 193 E CB 1.237 30.990 29.700 0.087 0.000 1.052 193 E HN 0.193 nan 8.360 nan 0.000 0.465 194 G N 1.113 109.947 108.800 0.058 0.000 2.428 194 G HA2 -0.105 3.962 3.960 0.178 0.000 0.681 194 G HA3 -0.105 3.962 3.960 0.178 0.000 0.681 194 G C -0.795 174.102 174.900 -0.005 0.000 1.340 194 G CA -1.118 43.990 45.100 0.013 0.000 0.915 194 G HN 0.089 nan 8.290 nan 0.000 0.645 195 I N 0.774 121.299 120.570 -0.075 0.000 2.496 195 I HA 0.366 4.643 4.170 0.178 0.000 0.285 195 I C 0.001 176.091 176.117 -0.045 0.000 1.080 195 I CA 0.001 61.226 61.300 -0.124 0.000 1.404 195 I CB 0.823 38.669 38.000 -0.256 0.000 1.403 195 I HN 0.459 nan 8.210 nan 0.000 0.539 196 F N 7.007 126.839 119.950 -0.196 0.000 2.460 196 F HA 0.421 5.055 4.527 0.179 0.000 0.341 196 F C -0.775 174.995 175.800 -0.050 0.000 1.130 196 F CA -1.140 56.742 58.000 -0.196 0.000 0.962 196 F CB 0.724 39.449 39.000 -0.457 0.000 1.171 196 F HN 0.316 nan 8.300 nan 0.000 0.436 197 D N 7.020 127.227 120.400 -0.322 0.000 2.280 197 D HA 0.237 4.984 4.640 0.178 0.000 0.236 197 D C -0.549 175.342 176.300 -0.682 0.000 1.082 197 D CA 0.006 53.796 54.000 -0.350 0.000 0.834 197 D CB 2.436 43.239 40.800 0.004 0.000 1.100 197 D HN 0.633 nan 8.370 nan 0.000 0.486 198 L N 3.278 124.072 121.223 -0.715 0.000 2.288 198 L HA 0.221 4.668 4.340 0.178 0.000 0.283 198 L C -0.769 175.941 176.870 -0.266 0.000 1.072 198 L CA -0.616 53.875 54.840 -0.582 0.000 0.862 198 L CB 0.645 42.416 42.059 -0.480 0.000 1.245 198 L HN 0.058 nan 8.230 nan 0.000 0.432 199 V N 5.209 125.024 119.914 -0.165 0.000 2.284 199 V HA 0.463 4.690 4.120 0.178 0.000 0.260 199 V C 0.834 176.903 176.094 -0.042 0.000 1.084 199 V CA -0.265 61.958 62.300 -0.127 0.000 0.894 199 V CB 0.394 32.140 31.823 -0.128 0.000 1.119 199 V HN 0.808 nan 8.190 nan 0.000 0.484 200 G N 3.378 112.152 108.800 -0.043 0.000 2.932 200 G HA2 0.675 4.742 3.960 0.178 0.000 0.283 200 G HA3 0.675 4.742 3.960 0.178 0.000 0.283 200 G C -0.884 174.064 174.900 0.080 0.000 1.336 200 G CA -0.610 44.504 45.100 0.022 0.000 1.056 200 G HN 0.485 nan 8.290 nan 0.000 0.522 201 N N -1.191 117.592 118.700 0.138 0.000 3.091 201 N HA 0.290 5.137 4.740 0.178 0.000 0.329 201 N C 0.143 175.843 175.510 0.316 0.000 1.430 201 N CA -0.730 52.439 53.050 0.199 0.000 0.755 201 N CB 1.201 39.776 38.487 0.145 0.000 1.626 201 N HN 0.513 nan 8.380 nan 0.000 0.614 202 N N -1.439 117.451 118.700 0.317 0.000 2.238 202 N HA 0.051 4.898 4.740 0.178 0.000 0.222 202 N C -0.768 175.001 175.510 0.431 0.000 1.133 202 N CA -0.187 53.111 53.050 0.412 0.000 0.854 202 N CB -0.032 38.663 38.487 0.347 0.000 1.041 202 N HN 0.511 nan 8.380 nan 0.000 0.510 203 T N -3.152 111.491 114.554 0.148 0.000 2.912 203 T HA 0.439 4.896 4.350 0.178 0.000 0.299 203 T C -2.629 171.497 174.700 -0.956 0.000 1.052 203 T CA -1.517 60.258 62.100 -0.541 0.000 0.996 203 T CB 3.138 71.578 68.868 -0.714 0.000 1.070 203 T HN -0.245 nan 8.240 nan 0.000 0.465 204 P HA 0.166 nan 4.420 nan 0.000 0.241 204 P C 0.621 177.403 177.300 -0.863 0.000 1.191 204 P CA 0.150 62.326 63.100 -1.539 0.000 0.771 204 P CB -0.011 30.710 31.700 -1.630 0.000 0.929 205 I N -4.493 115.543 120.570 -0.890 0.000 3.206 205 I HA 0.537 4.814 4.170 0.178 0.000 0.313 205 I C -1.078 174.795 176.117 -0.406 0.000 1.103 205 I CA -1.850 59.105 61.300 -0.574 0.000 0.985 205 I CB 1.522 39.168 38.000 -0.589 0.000 1.240 205 I HN -0.248 nan 8.210 nan 0.000 0.464 206 F N 0.517 120.221 119.950 -0.409 0.000 2.557 206 F HA 0.464 5.098 4.527 0.178 0.000 0.336 206 F C 0.511 176.107 175.800 -0.341 0.000 1.058 206 F CA -0.803 56.997 58.000 -0.334 0.000 0.988 206 F CB 1.882 40.803 39.000 -0.130 0.000 1.275 206 F HN 0.402 nan 8.300 nan 0.000 0.488 207 F N 2.098 121.323 119.950 -1.209 0.000 2.234 207 F HA 0.005 4.639 4.527 0.178 0.000 0.299 207 F C 0.710 176.239 175.800 -0.452 0.000 1.087 207 F CA 0.811 58.294 58.000 -0.862 0.000 1.340 207 F CB -0.091 38.017 39.000 -1.488 0.000 1.031 207 F HN 0.121 nan 8.300 nan 0.000 0.500 208 I N -3.376 117.172 120.570 -0.036 0.000 3.002 208 I HA 0.368 4.645 4.170 0.178 0.000 0.310 208 I C 0.390 176.642 176.117 0.225 0.000 1.087 208 I CA -0.859 60.517 61.300 0.128 0.000 1.017 208 I CB 1.821 39.939 38.000 0.196 0.000 1.226 208 I HN -0.151 nan 8.210 nan 0.000 0.443 209 Q N 0.264 120.203 119.800 0.233 0.000 2.226 209 Q HA 0.122 4.569 4.340 0.178 0.000 0.199 209 Q C -0.203 175.958 176.000 0.269 0.000 0.945 209 Q CA 0.676 56.664 55.803 0.307 0.000 0.861 209 Q CB 0.414 29.400 28.738 0.413 0.000 0.953 209 Q HN 0.639 nan 8.270 nan 0.000 0.490 210 D N -0.997 119.527 120.400 0.207 0.000 2.278 210 D HA 0.300 5.046 4.640 0.178 0.000 0.245 210 D C 0.063 176.481 176.300 0.198 0.000 1.052 210 D CA -0.164 53.930 54.000 0.156 0.000 0.834 210 D CB 1.832 42.690 40.800 0.098 0.000 1.194 210 D HN 0.088 nan 8.370 nan 0.000 0.481 211 A N 3.486 126.395 122.820 0.149 0.000 2.024 211 A HA -0.240 4.187 4.320 0.178 0.000 0.220 211 A C 1.808 179.502 177.584 0.183 0.000 1.164 211 A CA 1.674 53.793 52.037 0.137 0.000 0.643 211 A CB -0.794 18.232 19.000 0.042 0.000 0.806 211 A HN 0.847 nan 8.150 nan 0.000 0.451 212 H N -0.045 119.077 119.070 0.087 0.000 2.426 212 H HA -0.081 4.582 4.556 0.179 0.000 0.298 212 H C 1.569 176.966 175.328 0.116 0.000 1.107 212 H CA 2.032 58.125 56.048 0.075 0.000 1.298 212 H CB 0.124 29.909 29.762 0.039 0.000 1.377 212 H HN 0.392 nan 8.280 nan 0.000 0.519 213 K N -0.570 120.004 120.400 0.291 0.000 2.404 213 K HA -0.038 4.389 4.320 0.178 0.000 0.194 213 K C 1.431 178.191 176.600 0.266 0.000 1.023 213 K CA -0.008 56.445 56.287 0.276 0.000 1.094 213 K CB 0.107 32.801 32.500 0.324 0.000 0.841 213 K HN 0.285 nan 8.250 nan 0.000 0.523 214 F N 3.494 123.517 119.950 0.122 0.000 2.091 214 F HA -0.183 4.451 4.527 0.177 0.000 0.299 214 F C -0.961 174.875 175.800 0.060 0.000 1.103 214 F CA 1.648 59.735 58.000 0.144 0.000 1.228 214 F CB -0.494 38.579 39.000 0.122 0.000 0.984 214 F HN 0.028 nan 8.300 nan 0.000 0.477 215 P HA -0.116 nan 4.420 nan 0.000 0.219 215 P C 0.992 178.002 177.300 -0.483 0.000 1.150 215 P CA 1.597 64.501 63.100 -0.327 0.000 0.814 215 P CB -0.101 31.427 31.700 -0.287 0.000 0.787 216 D N -0.971 119.272 120.400 -0.263 0.000 2.084 216 D HA -0.154 4.593 4.640 0.178 0.000 0.194 216 D C 1.844 177.871 176.300 -0.456 0.000 0.990 216 D CA 1.025 54.898 54.000 -0.212 0.000 0.826 216 D CB -0.837 40.004 40.800 0.069 0.000 0.971 216 D HN 0.131 nan 8.370 nan 0.000 0.453 217 F N 1.946 121.491 119.950 -0.674 0.000 2.046 217 F HA -0.251 4.383 4.527 0.178 0.000 0.297 217 F C 2.344 177.772 175.800 -0.619 0.000 1.123 217 F CA 1.284 58.693 58.000 -0.986 0.000 1.199 217 F CB -0.325 38.322 39.000 -0.589 0.000 0.972 217 F HN -0.249 nan 8.300 nan 0.000 0.474 218 V N 0.567 120.110 119.914 -0.619 0.000 2.332 218 V HA -0.373 3.854 4.120 0.178 0.000 0.248 218 V C 2.335 178.230 176.094 -0.332 0.000 1.055 218 V CA 2.481 64.451 62.300 -0.550 0.000 1.038 218 V CB -1.116 30.410 31.823 -0.495 0.000 0.651 218 V HN 0.498 nan 8.190 nan 0.000 0.450 219 H N -0.312 118.534 119.070 -0.373 0.000 2.387 219 H HA -0.178 4.485 4.556 0.178 0.000 0.299 219 H C 2.332 177.519 175.328 -0.234 0.000 1.099 219 H CA 1.178 57.084 56.048 -0.237 0.000 1.315 219 H CB 0.020 29.691 29.762 -0.151 0.000 1.380 219 H HN 0.500 nan 8.280 nan 0.000 0.513 220 A N 0.408 123.078 122.820 -0.250 0.000 1.933 220 A HA -0.112 4.314 4.320 0.178 0.000 0.218 220 A C 2.556 180.017 177.584 -0.205 0.000 1.175 220 A CA 1.441 53.330 52.037 -0.246 0.000 0.628 220 A CB -0.727 18.010 19.000 -0.439 0.000 0.814 220 A HN 0.297 nan 8.150 nan 0.000 0.444 221 V N -0.130 119.528 119.914 -0.426 0.000 2.535 221 V HA -0.016 4.211 4.120 0.178 0.000 0.246 221 V C 1.000 177.069 176.094 -0.043 0.000 1.045 221 V CA 0.894 63.010 62.300 -0.307 0.000 1.058 221 V CB -0.466 30.982 31.823 -0.624 0.000 0.689 221 V HN 0.363 nan 8.190 nan 0.000 0.461 222 K N 1.006 121.330 120.400 -0.127 0.000 2.188 222 K HA 0.157 4.584 4.320 0.178 0.000 0.246 222 K C -2.242 174.290 176.600 -0.113 0.000 1.026 222 K CA -1.305 54.918 56.287 -0.107 0.000 0.871 222 K CB -0.737 31.682 32.500 -0.134 0.000 1.042 222 K HN 0.209 nan 8.250 nan 0.000 0.509 223 P HA 0.014 nan 4.420 nan 0.000 0.268 223 P C -0.617 176.609 177.300 -0.124 0.000 1.205 223 P CA 0.299 63.256 63.100 -0.238 0.000 0.771 223 P CB 0.316 31.886 31.700 -0.217 0.000 0.858 224 E N 5.342 125.512 120.200 -0.050 0.000 2.392 224 E HA -0.002 4.455 4.350 0.178 0.000 0.264 224 E C -1.205 175.481 176.600 0.143 0.000 1.024 224 E CA -1.352 55.135 56.400 0.144 0.000 0.903 224 E CB 0.052 29.957 29.700 0.343 0.000 0.963 224 E HN 0.423 nan 8.360 nan 0.000 0.432 225 P HA -0.245 nan 4.420 nan 0.000 0.218 225 P C 1.039 178.427 177.300 0.146 0.000 1.148 225 P CA 1.580 64.736 63.100 0.093 0.000 0.822 225 P CB -0.015 31.718 31.700 0.055 0.000 0.784 226 H N -1.451 117.661 119.070 0.069 0.000 2.403 226 H HA -0.056 4.607 4.556 0.179 0.000 0.298 226 H C 1.530 176.972 175.328 0.189 0.000 1.059 226 H CA 1.282 57.364 56.048 0.057 0.000 1.363 226 H CB -1.208 28.517 29.762 -0.061 0.000 1.410 226 H HN 0.331 nan 8.280 nan 0.000 0.528 227 W N -0.006 120.935 121.300 -0.599 0.000 2.714 227 W HA 0.696 5.462 4.660 0.178 0.000 0.353 227 W C 0.406 176.762 176.519 -0.271 0.000 0.999 227 W CA -1.074 56.041 57.345 -0.382 0.000 1.629 227 W CB -0.693 28.488 29.460 -0.465 0.000 1.106 227 W HN 0.387 nan 8.180 nan 0.000 0.545 228 A N 1.354 124.135 122.820 -0.066 0.000 2.739 228 A HA -0.159 4.268 4.320 0.178 0.000 0.296 228 A C -0.421 176.942 177.584 -0.368 0.000 1.488 228 A CA 1.472 53.404 52.037 -0.175 0.000 0.746 228 A CB -2.404 16.521 19.000 -0.125 0.000 1.047 228 A HN 0.463 nan 8.150 nan 0.000 0.477 229 I N 0.367 120.578 120.570 -0.599 0.000 2.647 229 I HA 0.577 4.853 4.170 0.178 0.000 0.295 229 I C -2.517 173.291 176.117 -0.515 0.000 1.078 229 I CA -2.379 58.462 61.300 -0.765 0.000 1.048 229 I CB 3.002 40.054 38.000 -1.581 0.000 1.239 229 I HN 0.199 nan 8.210 nan 0.000 0.421 230 P HA 0.338 nan 4.420 nan 0.000 0.295 230 P C -1.658 175.492 177.300 -0.249 0.000 1.319 230 P CA -0.943 61.945 63.100 -0.352 0.000 0.940 230 P CB 1.704 33.273 31.700 -0.219 0.000 1.192 231 Q N 0.886 120.579 119.800 -0.178 0.000 2.286 231 Q HA 0.488 4.935 4.340 0.178 0.000 0.257 231 Q C 1.028 176.996 176.000 -0.053 0.000 0.941 231 Q CA 0.918 56.652 55.803 -0.115 0.000 0.912 231 Q CB -0.330 28.350 28.738 -0.097 0.000 1.192 231 Q HN 0.817 nan 8.270 nan 0.000 0.410 232 G N 3.301 112.080 108.800 -0.035 0.000 2.249 232 G HA2 -0.296 3.771 3.960 0.178 0.000 0.273 232 G HA3 -0.296 3.771 3.960 0.178 0.000 0.273 232 G C -0.471 174.452 174.900 0.039 0.000 1.036 232 G CA 0.631 45.736 45.100 0.009 0.000 0.824 232 G HN 0.555 nan 8.290 nan 0.000 0.504 233 Q N -1.161 118.653 119.800 0.023 0.000 2.315 233 Q HA 0.541 4.988 4.340 0.178 0.000 0.273 233 Q C 0.736 176.763 176.000 0.046 0.000 1.053 233 Q CA -0.127 55.716 55.803 0.066 0.000 0.817 233 Q CB 1.773 30.591 28.738 0.133 0.000 1.326 233 Q HN 0.464 nan 8.270 nan 0.000 0.423 234 S N -0.524 115.101 115.700 -0.125 0.000 2.575 234 S HA 0.206 4.783 4.470 0.178 0.000 0.215 234 S C 0.868 175.385 174.600 -0.138 0.000 0.966 234 S CA 0.004 57.905 58.200 -0.498 0.000 0.911 234 S CB 0.354 62.746 63.200 -1.347 0.000 0.780 234 S HN 0.585 nan 8.310 nan 0.000 0.514 235 A N 2.305 125.240 122.820 0.192 0.000 3.063 235 A HA 0.516 4.943 4.320 0.178 0.000 0.263 235 A C 0.084 177.877 177.584 0.349 0.000 1.736 235 A CA -0.574 51.654 52.037 0.319 0.000 1.408 235 A CB -1.238 17.892 19.000 0.216 0.000 1.108 235 A HN 0.890 nan 8.150 nan 0.000 0.621 236 H N -3.853 115.404 119.070 0.313 0.000 3.042 236 H HA 0.504 5.168 4.556 0.179 0.000 0.346 236 H C -0.212 175.304 175.328 0.312 0.000 1.294 236 H CA -0.711 55.484 56.048 0.244 0.000 1.141 236 H CB 0.267 30.137 29.762 0.179 0.000 1.872 236 H HN 0.069 nan 8.280 nan 0.000 0.541 237 D N 0.436 120.999 120.400 0.270 0.000 2.133 237 D HA -0.246 4.501 4.640 0.178 0.000 0.192 237 D C 2.095 178.470 176.300 0.125 0.000 1.001 237 D CA 3.288 57.393 54.000 0.176 0.000 0.844 237 D CB -0.303 40.578 40.800 0.135 0.000 0.944 237 D HN 0.812 nan 8.370 nan 0.000 0.447 238 T N -1.754 112.884 114.554 0.139 0.000 2.788 238 T HA -0.208 4.249 4.350 0.178 0.000 0.268 238 T C 1.890 176.566 174.700 -0.041 0.000 1.044 238 T CA 0.809 62.958 62.100 0.081 0.000 1.139 238 T CB -0.690 68.271 68.868 0.155 0.000 0.867 238 T HN 0.196 nan 8.240 nan 0.000 0.454 239 F N 0.725 120.425 119.950 -0.416 0.000 2.084 239 F HA 0.100 4.734 4.527 0.178 0.000 0.296 239 F C 1.961 177.517 175.800 -0.407 0.000 1.111 239 F CA 0.686 58.350 58.000 -0.560 0.000 1.224 239 F CB -0.656 37.816 39.000 -0.880 0.000 0.991 239 F HN 0.136 nan 8.300 nan 0.000 0.471 240 W N 0.814 122.041 121.300 -0.121 0.000 2.374 240 W HA -0.158 4.609 4.660 0.178 0.000 0.288 240 W C 2.344 178.780 176.519 -0.139 0.000 1.218 240 W CA 1.204 58.461 57.345 -0.147 0.000 1.245 240 W CB -0.652 28.809 29.460 0.001 0.000 1.126 240 W HN 0.105 nan 8.180 nan 0.000 0.545 241 D N -0.760 119.686 120.400 0.077 0.000 2.092 241 D HA -0.293 4.454 4.640 0.178 0.000 0.193 241 D C 1.875 178.178 176.300 0.005 0.000 0.994 241 D CA 1.524 55.553 54.000 0.049 0.000 0.828 241 D CB -0.587 40.252 40.800 0.065 0.000 0.963 241 D HN 0.197 nan 8.370 nan 0.000 0.450 242 Y N 0.372 120.574 120.300 -0.164 0.000 2.128 242 Y HA -0.214 4.444 4.550 0.179 0.000 0.284 242 Y C 2.268 178.045 175.900 -0.206 0.000 1.154 242 Y CA 1.568 59.562 58.100 -0.177 0.000 1.149 242 Y CB -0.406 37.921 38.460 -0.221 0.000 0.976 242 Y HN -0.109 nan 8.280 nan 0.000 0.505 243 V N 0.099 119.883 119.914 -0.218 0.000 2.287 243 V HA -0.350 3.877 4.120 0.178 0.000 0.248 243 V C 2.641 178.670 176.094 -0.108 0.000 1.053 243 V CA 2.247 64.406 62.300 -0.235 0.000 1.027 243 V CB -1.275 30.273 31.823 -0.457 0.000 0.646 243 V HN 0.667 nan 8.190 nan 0.000 0.447 244 S N -0.193 115.489 115.700 -0.028 0.000 2.419 244 S HA -0.098 4.478 4.470 0.178 0.000 0.233 244 S C 1.725 176.288 174.600 -0.062 0.000 1.016 244 S CA 1.499 59.705 58.200 0.009 0.000 0.974 244 S CB -0.483 62.756 63.200 0.065 0.000 0.786 244 S HN 0.566 nan 8.310 nan 0.000 0.492 245 L N -0.061 121.078 121.223 -0.140 0.000 2.585 245 L HA 0.326 4.773 4.340 0.178 0.000 0.226 245 L C 0.453 177.151 176.870 -0.285 0.000 1.113 245 L CA 0.121 54.853 54.840 -0.180 0.000 0.876 245 L CB 0.035 41.989 42.059 -0.175 0.000 1.072 245 L HN 0.269 nan 8.230 nan 0.000 0.468 246 Q N 0.292 119.880 119.800 -0.353 0.000 3.255 246 Q HA 0.222 4.669 4.340 0.178 0.000 0.231 246 Q C -1.967 173.822 176.000 -0.352 0.000 0.935 246 Q CA -1.338 54.214 55.803 -0.418 0.000 0.714 246 Q CB 1.654 30.018 28.738 -0.624 0.000 1.345 246 Q HN -0.021 nan 8.270 nan 0.000 0.463 247 P HA -0.204 nan 4.420 nan 0.000 0.225 247 P C 0.925 177.920 177.300 -0.509 0.000 1.148 247 P CA 1.003 63.850 63.100 -0.421 0.000 0.779 247 P CB 0.308 31.733 31.700 -0.458 0.000 0.780 248 E N 0.910 120.704 120.200 -0.677 0.000 2.209 248 E HA -0.183 4.274 4.350 0.178 0.000 0.196 248 E C 1.526 178.090 176.600 -0.059 0.000 0.993 248 E CA 1.891 58.148 56.400 -0.237 0.000 0.819 248 E CB -1.270 28.363 29.700 -0.112 0.000 0.745 248 E HN 0.277 nan 8.360 nan 0.000 0.477 249 T N -0.841 113.683 114.554 -0.049 0.000 3.085 249 T HA 0.045 4.502 4.350 0.178 0.000 0.263 249 T C 1.896 176.673 174.700 0.127 0.000 1.127 249 T CA 0.329 62.468 62.100 0.064 0.000 1.103 249 T CB -0.279 68.651 68.868 0.104 0.000 0.921 249 T HN 0.160 nan 8.240 nan 0.000 0.510 250 L N -0.083 121.218 121.223 0.131 0.000 2.201 250 L HA -0.025 4.422 4.340 0.178 0.000 0.212 250 L C 2.832 179.880 176.870 0.296 0.000 1.105 250 L CA 1.509 56.495 54.840 0.244 0.000 0.775 250 L CB -0.728 41.492 42.059 0.267 0.000 0.913 250 L HN 0.482 nan 8.230 nan 0.000 0.440 251 H N 0.057 119.186 119.070 0.097 0.000 2.299 251 H HA -0.173 4.490 4.556 0.178 0.000 0.302 251 H C 2.107 177.438 175.328 0.006 0.000 1.078 251 H CA 1.652 57.756 56.048 0.093 0.000 1.323 251 H CB 0.281 30.063 29.762 0.034 0.000 1.381 251 H HN 0.365 nan 8.280 nan 0.000 0.498 252 N N -0.127 118.392 118.700 -0.301 0.000 2.244 252 N HA -0.128 4.719 4.740 0.178 0.000 0.183 252 N C 1.939 177.256 175.510 -0.322 0.000 1.016 252 N CA 0.719 53.367 53.050 -0.669 0.000 0.866 252 N CB 0.298 37.951 38.487 -1.389 0.000 0.980 252 N HN 0.110 nan 8.380 nan 0.000 0.430 253 V N 1.605 121.548 119.914 0.048 0.000 2.295 253 V HA -0.253 3.974 4.120 0.178 0.000 0.246 253 V C 2.508 178.738 176.094 0.227 0.000 1.049 253 V CA 1.257 63.729 62.300 0.287 0.000 1.024 253 V CB -0.369 31.683 31.823 0.381 0.000 0.648 253 V HN 0.393 nan 8.190 nan 0.000 0.447 254 M N -1.414 118.366 119.600 0.300 0.000 2.073 254 M HA -0.238 4.349 4.480 0.178 0.000 0.258 254 M C 2.095 178.461 176.300 0.109 0.000 1.070 254 M CA 2.079 57.587 55.300 0.348 0.000 1.103 254 M CB -1.247 31.623 32.600 0.449 0.000 1.321 254 M HN 0.479 nan 8.290 nan 0.000 0.405 255 W N 0.306 121.349 121.300 -0.429 0.000 2.338 255 W HA -0.109 4.658 4.660 0.178 0.000 0.304 255 W C 2.773 179.216 176.519 -0.128 0.000 1.212 255 W CA 1.860 58.912 57.345 -0.489 0.000 1.264 255 W CB -1.155 27.931 29.460 -0.624 0.000 1.142 255 W HN 0.318 nan 8.180 nan 0.000 0.512 256 A N -0.696 122.206 122.820 0.137 0.000 1.972 256 A HA -0.178 4.248 4.320 0.178 0.000 0.219 256 A C 1.921 179.568 177.584 0.106 0.000 1.169 256 A CA 1.638 53.759 52.037 0.140 0.000 0.635 256 A CB -0.557 18.551 19.000 0.179 0.000 0.810 256 A HN 0.108 nan 8.150 nan 0.000 0.446 257 M N 0.528 120.163 119.600 0.059 0.000 2.558 257 M HA 0.034 4.621 4.480 0.178 0.000 0.255 257 M C 1.409 177.774 176.300 0.107 0.000 1.113 257 M CA 0.736 56.019 55.300 -0.028 0.000 1.097 257 M CB -1.270 31.112 32.600 -0.363 0.000 1.426 257 M HN 0.557 nan 8.290 nan 0.000 0.488 258 S N -0.090 115.731 115.700 0.201 0.000 2.652 258 S HA 0.147 4.724 4.470 0.178 0.000 0.267 258 S C 0.707 175.446 174.600 0.233 0.000 1.201 258 S CA -0.451 57.906 58.200 0.262 0.000 0.996 258 S CB 1.004 64.408 63.200 0.340 0.000 1.054 258 S HN 0.142 nan 8.310 nan 0.000 0.561 259 D N 0.019 120.574 120.400 0.259 0.000 2.371 259 D HA 0.084 4.831 4.640 0.178 0.000 0.221 259 D C 1.893 178.340 176.300 0.245 0.000 0.986 259 D CA 0.254 54.418 54.000 0.274 0.000 0.899 259 D CB -0.125 40.900 40.800 0.374 0.000 0.902 259 D HN 0.323 nan 8.370 nan 0.000 0.530 260 R N 0.268 120.907 120.500 0.233 0.000 2.105 260 R HA -0.047 4.399 4.340 0.178 0.000 0.239 260 R C 2.102 178.554 176.300 0.253 0.000 1.135 260 R CA 1.059 57.315 56.100 0.261 0.000 0.967 260 R CB -1.024 29.486 30.300 0.350 0.000 0.861 260 R HN 0.199 nan 8.270 nan 0.000 0.442 261 G N 1.230 110.168 108.800 0.230 0.000 2.625 261 G HA2 -0.056 4.011 3.960 0.178 0.000 0.214 261 G HA3 -0.056 4.011 3.960 0.178 0.000 0.214 261 G C 0.924 175.964 174.900 0.232 0.000 1.132 261 G CA 0.311 45.539 45.100 0.213 0.000 0.782 261 G HN 0.435 nan 8.290 nan 0.000 0.538 262 I N -2.203 118.515 120.570 0.246 0.000 2.867 262 I HA 0.353 4.630 4.170 0.178 0.000 0.282 262 I C -2.904 173.367 176.117 0.257 0.000 1.437 262 I CA -2.642 58.812 61.300 0.255 0.000 0.918 262 I CB 1.953 40.106 38.000 0.256 0.000 1.612 262 I HN -0.273 nan 8.210 nan 0.000 0.592 263 P HA 0.122 nan 4.420 nan 0.000 0.272 263 P C 0.538 177.974 177.300 0.227 0.000 1.223 263 P CA -0.234 62.977 63.100 0.186 0.000 0.784 263 P CB 1.297 33.039 31.700 0.070 0.000 0.923 264 R N 1.904 122.511 120.500 0.178 0.000 2.073 264 R HA 0.006 4.453 4.340 0.178 0.000 0.229 264 R C 0.627 177.012 176.300 0.141 0.000 1.120 264 R CA 1.703 57.951 56.100 0.245 0.000 0.967 264 R CB -0.540 29.874 30.300 0.191 0.000 0.862 264 R HN 0.576 nan 8.270 nan 0.000 0.436 265 S N -2.837 112.747 115.700 -0.194 0.000 2.625 265 S HA 0.253 4.830 4.470 0.178 0.000 0.271 265 S C -0.182 174.063 174.600 -0.592 0.000 1.161 265 S CA -0.875 57.015 58.200 -0.516 0.000 0.820 265 S CB 0.278 63.329 63.200 -0.248 0.000 1.137 265 S HN 0.125 nan 8.310 nan 0.000 0.470 266 Y N 1.514 121.424 120.300 -0.650 0.000 2.439 266 Y HA 0.186 4.843 4.550 0.178 0.000 0.292 266 Y C 2.415 177.959 175.900 -0.592 0.000 1.130 266 Y CA 0.749 58.362 58.100 -0.812 0.000 1.254 266 Y CB -0.335 37.262 38.460 -1.437 0.000 1.000 266 Y HN 0.553 nan 8.280 nan 0.000 0.554 267 R N -0.463 119.889 120.500 -0.247 0.000 2.189 267 R HA -0.041 4.406 4.340 0.178 0.000 0.218 267 R C 0.911 177.153 176.300 -0.097 0.000 1.074 267 R CA 1.530 57.536 56.100 -0.156 0.000 0.991 267 R CB -0.372 29.833 30.300 -0.158 0.000 0.883 267 R HN 0.292 nan 8.270 nan 0.000 0.457 268 T N -1.341 113.170 114.554 -0.071 0.000 3.327 268 T HA 0.418 4.875 4.350 0.178 0.000 0.244 268 T C 0.036 174.765 174.700 0.048 0.000 1.074 268 T CA -0.720 61.373 62.100 -0.013 0.000 1.156 268 T CB -0.127 68.719 68.868 -0.037 0.000 1.087 268 T HN 0.081 nan 8.240 nan 0.000 0.575 269 M N -1.217 118.453 119.600 0.118 0.000 2.550 269 M HA 0.736 5.323 4.480 0.178 0.000 0.292 269 M C -1.122 175.345 176.300 0.279 0.000 1.221 269 M CA -0.904 54.505 55.300 0.182 0.000 0.873 269 M CB 2.130 34.825 32.600 0.158 0.000 1.727 269 M HN -0.091 nan 8.290 nan 0.000 0.459 270 E N 0.472 120.846 120.200 0.289 0.000 2.385 270 E HA 0.746 5.203 4.350 0.178 0.000 0.254 270 E C -0.200 176.511 176.600 0.185 0.000 1.228 270 E CA -0.649 55.877 56.400 0.210 0.000 0.956 270 E CB 1.329 31.082 29.700 0.089 0.000 1.116 270 E HN 0.868 nan 8.360 nan 0.000 0.507 271 G N 0.143 108.857 108.800 -0.143 0.000 2.706 271 G HA2 0.596 4.663 3.960 0.178 0.000 0.297 271 G HA3 0.596 4.663 3.960 0.178 0.000 0.297 271 G C -1.674 172.868 174.900 -0.596 0.000 1.403 271 G CA -0.550 44.503 45.100 -0.077 0.000 0.954 271 G HN 0.263 nan 8.290 nan 0.000 0.500 272 F N -0.146 119.780 119.950 -0.040 0.000 2.608 272 F HA 0.521 5.154 4.527 0.178 0.000 0.309 272 F C 1.143 176.886 175.800 -0.095 0.000 1.103 272 F CA -0.355 57.547 58.000 -0.163 0.000 0.954 272 F CB 2.536 41.387 39.000 -0.249 0.000 1.267 272 F HN 0.634 nan 8.300 nan 0.000 0.444 273 G N 0.931 109.824 108.800 0.156 0.000 2.484 273 G HA2 0.058 4.125 3.960 0.178 0.000 0.218 273 G HA3 0.058 4.125 3.960 0.178 0.000 0.218 273 G C 1.230 176.205 174.900 0.126 0.000 1.130 273 G CA 1.025 46.275 45.100 0.249 0.000 0.784 273 G HN 0.802 nan 8.290 nan 0.000 0.543 274 I N -1.240 119.334 120.570 0.006 0.000 4.624 274 I HA -0.318 3.959 4.170 0.178 0.000 0.049 274 I C 0.582 176.584 176.117 -0.191 0.000 0.621 274 I CA 1.528 62.705 61.300 -0.203 0.000 0.836 274 I CB -1.227 36.545 38.000 -0.380 0.000 0.765 274 I HN 0.270 nan 8.210 nan 0.000 0.159 275 H N 2.167 121.254 119.070 0.028 0.000 2.679 275 H HA 0.242 4.905 4.556 0.178 0.000 0.369 275 H C 0.095 175.359 175.328 -0.106 0.000 1.178 275 H CA 0.569 56.541 56.048 -0.126 0.000 1.419 275 H CB 0.221 29.745 29.762 -0.397 0.000 1.458 275 H HN 0.194 nan 8.280 nan 0.000 0.605 276 T N 3.252 117.789 114.554 -0.029 0.000 2.794 276 T HA 0.260 4.717 4.350 0.178 0.000 0.296 276 T C 0.260 174.894 174.700 -0.109 0.000 0.949 276 T CA -0.047 62.029 62.100 -0.039 0.000 1.101 276 T CB -0.068 68.760 68.868 -0.068 0.000 0.905 276 T HN 0.240 nan 8.240 nan 0.000 0.516 277 F N 1.309 121.218 119.950 -0.068 0.000 2.656 277 F HA 0.666 5.300 4.527 0.178 0.000 0.394 277 F C 1.069 176.805 175.800 -0.106 0.000 1.168 277 F CA -1.281 56.691 58.000 -0.048 0.000 1.135 277 F CB 1.255 40.200 39.000 -0.091 0.000 1.480 277 F HN 0.163 nan 8.300 nan 0.000 0.500 278 R N 0.572 121.105 120.500 0.056 0.000 2.686 278 R HA 0.596 5.043 4.340 0.178 0.000 0.283 278 R C -1.742 174.417 176.300 -0.234 0.000 0.978 278 R CA -0.875 55.123 56.100 -0.170 0.000 0.897 278 R CB 2.158 32.306 30.300 -0.254 0.000 1.192 278 R HN 0.431 nan 8.270 nan 0.000 0.457 279 L N 3.991 125.031 121.223 -0.305 0.000 2.295 279 L HA 0.509 4.956 4.340 0.178 0.000 0.285 279 L C -0.476 176.221 176.870 -0.288 0.000 1.035 279 L CA -0.860 53.811 54.840 -0.283 0.000 0.806 279 L CB 1.333 43.225 42.059 -0.278 0.000 1.214 279 L HN 0.375 nan 8.230 nan 0.000 0.426 280 I N 3.249 123.668 120.570 -0.251 0.000 2.389 280 I HA 0.262 4.539 4.170 0.178 0.000 0.288 280 I C -0.165 175.848 176.117 -0.173 0.000 0.999 280 I CA -0.716 60.438 61.300 -0.243 0.000 1.129 280 I CB 1.314 39.171 38.000 -0.238 0.000 1.288 280 I HN 0.602 nan 8.210 nan 0.000 0.444 281 N N 4.865 123.478 118.700 -0.145 0.000 2.448 281 N HA 0.374 5.221 4.740 0.178 0.000 0.274 281 N C 0.910 176.369 175.510 -0.085 0.000 1.239 281 N CA -0.404 52.584 53.050 -0.103 0.000 0.982 281 N CB 0.593 39.031 38.487 -0.083 0.000 1.199 281 N HN 0.525 nan 8.380 nan 0.000 0.576 282 A N -0.517 122.264 122.820 -0.065 0.000 2.024 282 A HA -0.160 4.267 4.320 0.178 0.000 0.220 282 A C 1.497 179.055 177.584 -0.044 0.000 1.164 282 A CA 1.481 53.487 52.037 -0.052 0.000 0.643 282 A CB -0.744 18.233 19.000 -0.039 0.000 0.806 282 A HN 0.741 nan 8.150 nan 0.000 0.451 283 E N -1.736 118.439 120.200 -0.041 0.000 2.435 283 E HA 0.279 4.736 4.350 0.178 0.000 0.195 283 E C 1.293 177.878 176.600 -0.024 0.000 1.029 283 E CA 0.835 57.217 56.400 -0.030 0.000 0.865 283 E CB -0.047 29.637 29.700 -0.027 0.000 0.833 283 E HN 0.775 nan 8.360 nan 0.000 0.510 284 G N 0.945 109.725 108.800 -0.034 0.000 2.159 284 G HA2 -0.297 3.769 3.960 0.178 0.000 0.227 284 G HA3 -0.297 3.769 3.960 0.178 0.000 0.227 284 G C 0.217 175.118 174.900 0.002 0.000 0.986 284 G CA 0.092 45.190 45.100 -0.004 0.000 0.651 284 G HN 0.210 nan 8.290 nan 0.000 0.523 285 K N 0.961 121.326 120.400 -0.058 0.000 2.349 285 K HA 0.640 5.067 4.320 0.178 0.000 0.288 285 K C 0.571 177.032 176.600 -0.233 0.000 1.058 285 K CA 0.261 56.489 56.287 -0.098 0.000 0.953 285 K CB 0.534 32.986 32.500 -0.080 0.000 0.997 285 K HN 0.560 nan 8.250 nan 0.000 0.477 286 A N 3.737 126.326 122.820 -0.386 0.000 2.310 286 A HA 0.448 4.875 4.320 0.178 0.000 0.299 286 A C -0.662 176.624 177.584 -0.498 0.000 1.147 286 A CA -0.428 51.223 52.037 -0.644 0.000 0.818 286 A CB 0.936 19.162 19.000 -1.289 0.000 1.096 286 A HN 0.748 nan 8.150 nan 0.000 0.495 287 T N 1.789 116.062 114.554 -0.468 0.000 2.886 287 T HA 0.530 4.987 4.350 0.178 0.000 0.292 287 T C -0.700 173.769 174.700 -0.384 0.000 1.012 287 T CA -0.181 61.702 62.100 -0.363 0.000 0.982 287 T CB 0.637 69.384 68.868 -0.201 0.000 1.018 287 T HN 0.329 nan 8.240 nan 0.000 0.451 288 F N 1.975 121.837 119.950 -0.147 0.000 2.471 288 F HA 0.534 5.168 4.527 0.178 0.000 0.353 288 F C 0.563 176.253 175.800 -0.184 0.000 1.113 288 F CA -0.358 57.554 58.000 -0.148 0.000 1.262 288 F CB 0.779 39.717 39.000 -0.103 0.000 1.146 288 F HN 0.236 nan 8.300 nan 0.000 0.578 289 V N 4.791 124.673 119.914 -0.054 0.000 2.888 289 V HA 0.597 4.824 4.120 0.178 0.000 0.309 289 V C -1.063 174.847 176.094 -0.307 0.000 1.114 289 V CA -0.772 61.363 62.300 -0.275 0.000 0.940 289 V CB 2.124 33.567 31.823 -0.634 0.000 1.021 289 V HN 0.772 nan 8.190 nan 0.000 0.426 290 R N 4.672 125.052 120.500 -0.200 0.000 2.562 290 R HA 0.569 5.016 4.340 0.178 0.000 0.298 290 R C -1.635 174.664 176.300 -0.001 0.000 0.961 290 R CA -0.458 55.581 56.100 -0.101 0.000 0.881 290 R CB 2.020 32.361 30.300 0.069 0.000 1.159 290 R HN 0.605 nan 8.270 nan 0.000 0.450 291 F N 2.225 122.269 119.950 0.155 0.000 2.385 291 F HA 0.376 5.011 4.527 0.178 0.000 0.336 291 F C 0.967 176.755 175.800 -0.020 0.000 1.100 291 F CA -0.112 57.948 58.000 0.100 0.000 1.116 291 F CB 0.916 39.871 39.000 -0.075 0.000 1.166 291 F HN 0.226 nan 8.300 nan 0.000 0.511 292 H N 0.762 119.848 119.070 0.025 0.000 2.821 292 H HA 0.283 4.946 4.556 0.178 0.000 0.373 292 H C -1.594 173.502 175.328 -0.386 0.000 1.165 292 H CA -1.026 54.916 56.048 -0.178 0.000 1.154 292 H CB 2.115 31.860 29.762 -0.029 0.000 1.765 292 H HN 0.662 nan 8.280 nan 0.000 0.549 293 W N 2.039 123.256 121.300 -0.138 0.000 2.619 293 W HA 0.308 5.075 4.660 0.179 0.000 0.327 293 W C -0.289 176.266 176.519 0.061 0.000 1.027 293 W CA -0.776 56.520 57.345 -0.081 0.000 1.233 293 W CB 1.834 31.075 29.460 -0.364 0.000 1.370 293 W HN 0.322 nan 8.180 nan 0.000 0.453 294 K N 5.756 126.427 120.400 0.450 0.000 2.265 294 K HA 0.420 4.847 4.320 0.178 0.000 0.267 294 K C -2.429 174.404 176.600 0.387 0.000 0.994 294 K CA -1.898 54.594 56.287 0.343 0.000 0.860 294 K CB 1.490 34.142 32.500 0.252 0.000 1.099 294 K HN 0.023 nan 8.250 nan 0.000 0.448 295 P HA 0.044 nan 4.420 nan 0.000 0.276 295 P C 0.452 177.772 177.300 0.032 0.000 1.264 295 P CA -0.115 63.059 63.100 0.124 0.000 0.769 295 P CB 0.803 32.586 31.700 0.137 0.000 0.840 296 L N 3.058 124.251 121.223 -0.049 0.000 2.191 296 L HA -0.144 4.303 4.340 0.178 0.000 0.212 296 L C 2.248 179.102 176.870 -0.027 0.000 1.103 296 L CA 1.557 56.392 54.840 -0.008 0.000 0.769 296 L CB -0.772 41.287 42.059 0.001 0.000 0.908 296 L HN 0.340 nan 8.230 nan 0.000 0.438 297 A N 0.126 122.900 122.820 -0.078 0.000 2.235 297 A HA 0.356 4.783 4.320 0.178 0.000 0.208 297 A C 1.296 178.874 177.584 -0.011 0.000 1.172 297 A CA 0.686 52.693 52.037 -0.050 0.000 0.786 297 A CB -0.749 18.199 19.000 -0.087 0.000 0.804 297 A HN 0.484 nan 8.150 nan 0.000 0.479 298 G N -0.506 108.306 108.800 0.019 0.000 2.814 298 G HA2 -0.186 3.881 3.960 0.178 0.000 0.677 298 G HA3 -0.186 3.881 3.960 0.178 0.000 0.677 298 G C -0.560 174.366 174.900 0.044 0.000 1.429 298 G CA -0.284 44.845 45.100 0.049 0.000 0.868 298 G HN 0.544 nan 8.290 nan 0.000 0.553 299 K N 0.301 120.735 120.400 0.056 0.000 2.227 299 K HA 0.688 5.114 4.320 0.178 0.000 0.280 299 K C 0.268 176.867 176.600 -0.002 0.000 1.041 299 K CA 0.268 56.574 56.287 0.032 0.000 0.905 299 K CB 1.685 34.195 32.500 0.017 0.000 1.068 299 K HN 1.378 nan 8.250 nan 0.000 0.470 300 A N 1.907 124.716 122.820 -0.020 0.000 2.517 300 A HA 0.614 5.041 4.320 0.178 0.000 0.297 300 A C -1.072 176.573 177.584 0.101 0.000 1.050 300 A CA -0.667 51.329 52.037 -0.067 0.000 0.694 300 A CB 1.774 20.533 19.000 -0.402 0.000 1.277 300 A HN 0.513 nan 8.150 nan 0.000 0.400 301 S N 0.425 116.348 115.700 0.372 0.000 2.667 301 S HA 0.763 5.340 4.470 0.178 0.000 0.292 301 S C -0.143 174.772 174.600 0.525 0.000 1.126 301 S CA -0.565 57.879 58.200 0.406 0.000 0.881 301 S CB 1.221 64.651 63.200 0.384 0.000 1.132 301 S HN 0.641 nan 8.310 nan 0.000 0.492 302 L N 1.206 122.627 121.223 0.330 0.000 2.642 302 L HA 0.610 5.056 4.340 0.178 0.000 0.229 302 L C -0.107 176.860 176.870 0.163 0.000 1.179 302 L CA -0.783 54.173 54.840 0.193 0.000 0.834 302 L CB 0.318 42.420 42.059 0.072 0.000 1.515 302 L HN 0.503 nan 8.230 nan 0.000 0.512 303 V N -3.365 116.546 119.914 -0.004 0.000 2.815 303 V HA 0.193 4.420 4.120 0.178 0.000 0.314 303 V C 0.681 176.725 176.094 -0.084 0.000 1.064 303 V CA -0.843 61.421 62.300 -0.060 0.000 0.952 303 V CB 1.612 33.371 31.823 -0.106 0.000 1.020 303 V HN 0.933 nan 8.190 nan 0.000 0.439 304 W N 2.267 123.440 121.300 -0.212 0.000 2.301 304 W HA -0.295 4.471 4.660 0.178 0.000 0.325 304 W C 1.807 178.177 176.519 -0.248 0.000 1.250 304 W CA 2.826 60.044 57.345 -0.211 0.000 1.261 304 W CB -0.162 29.162 29.460 -0.228 0.000 1.157 304 W HN 1.017 nan 8.180 nan 0.000 0.473 305 D N -0.046 120.055 120.400 -0.499 0.000 2.144 305 D HA -0.287 4.460 4.640 0.178 0.000 0.199 305 D C 2.203 178.121 176.300 -0.637 0.000 0.984 305 D CA 2.051 55.698 54.000 -0.587 0.000 0.834 305 D CB -0.486 40.220 40.800 -0.157 0.000 0.955 305 D HN 0.385 nan 8.370 nan 0.000 0.465 306 E N -0.271 119.446 120.200 -0.805 0.000 2.072 306 E HA -0.204 4.253 4.350 0.178 0.000 0.191 306 E C 2.013 178.271 176.600 -0.570 0.000 0.985 306 E CA 1.006 56.866 56.400 -0.899 0.000 0.801 306 E CB -0.201 28.899 29.700 -1.001 0.000 0.750 306 E HN 0.325 nan 8.360 nan 0.000 0.452 307 A N 1.286 123.805 122.820 -0.501 0.000 1.877 307 A HA -0.262 4.164 4.320 0.178 0.000 0.216 307 A C 2.202 179.471 177.584 -0.526 0.000 1.186 307 A CA 1.822 53.617 52.037 -0.404 0.000 0.620 307 A CB -0.737 18.140 19.000 -0.205 0.000 0.822 307 A HN 0.446 nan 8.150 nan 0.000 0.443 308 Q N -0.238 119.036 119.800 -0.877 0.000 2.079 308 Q HA -0.186 4.261 4.340 0.178 0.000 0.200 308 Q C 1.925 177.653 176.000 -0.454 0.000 0.974 308 Q CA 1.737 57.058 55.803 -0.803 0.000 0.840 308 Q CB -0.111 27.858 28.738 -1.282 0.000 0.898 308 Q HN 0.710 nan 8.270 nan 0.000 0.430 309 K N 0.105 120.256 120.400 -0.415 0.000 2.148 309 K HA -0.150 4.277 4.320 0.178 0.000 0.204 309 K C 2.056 178.514 176.600 -0.238 0.000 1.050 309 K CA 0.757 56.890 56.287 -0.258 0.000 0.942 309 K CB -0.110 32.280 32.500 -0.183 0.000 0.724 309 K HN 0.141 nan 8.250 nan 0.000 0.446 310 L N 1.810 122.851 121.223 -0.303 0.000 2.083 310 L HA -0.162 4.284 4.340 0.178 0.000 0.209 310 L C 2.416 179.156 176.870 -0.215 0.000 1.083 310 L CA 2.071 56.731 54.840 -0.300 0.000 0.752 310 L CB -1.107 40.696 42.059 -0.427 0.000 0.899 310 L HN 0.354 nan 8.230 nan 0.000 0.433 311 T N -4.314 110.119 114.554 -0.202 0.000 2.897 311 T HA -0.110 4.347 4.350 0.178 0.000 0.271 311 T C 1.817 176.456 174.700 -0.100 0.000 1.084 311 T CA 1.097 63.119 62.100 -0.131 0.000 1.123 311 T CB -0.944 67.859 68.868 -0.108 0.000 0.865 311 T HN 0.392 nan 8.240 nan 0.000 0.496 312 G N 0.696 109.429 108.800 -0.111 0.000 2.510 312 G HA2 0.051 4.118 3.960 0.178 0.000 0.212 312 G HA3 0.051 4.118 3.960 0.178 0.000 0.212 312 G C 1.917 176.774 174.900 -0.071 0.000 1.151 312 G CA -0.311 44.740 45.100 -0.082 0.000 0.817 312 G HN 0.312 nan 8.290 nan 0.000 0.534 313 R N 0.004 120.451 120.500 -0.088 0.000 2.112 313 R HA 0.113 4.559 4.340 0.178 0.000 0.216 313 R C -0.262 176.009 176.300 -0.048 0.000 1.080 313 R CA 0.560 56.620 56.100 -0.067 0.000 0.996 313 R CB 0.001 30.252 30.300 -0.083 0.000 0.902 313 R HN 0.273 nan 8.270 nan 0.000 0.449 314 D N -0.051 120.315 120.400 -0.057 0.000 2.472 314 D HA 0.170 4.917 4.640 0.178 0.000 0.248 314 D C -2.098 174.201 176.300 -0.002 0.000 1.271 314 D CA -1.805 52.192 54.000 -0.004 0.000 0.888 314 D CB 1.356 42.199 40.800 0.072 0.000 1.337 314 D HN -0.152 nan 8.370 nan 0.000 0.526 315 P HA 0.002 nan 4.420 nan 0.000 0.225 315 P C 0.072 177.374 177.300 0.004 0.000 1.148 315 P CA 0.733 63.820 63.100 -0.021 0.000 0.779 315 P CB 0.479 32.164 31.700 -0.025 0.000 0.780 316 D N -1.600 118.814 120.400 0.024 0.000 2.525 316 D HA 0.089 4.836 4.640 0.178 0.000 0.229 316 D C 1.166 177.505 176.300 0.064 0.000 1.202 316 D CA -0.480 53.539 54.000 0.033 0.000 0.828 316 D CB -0.530 40.268 40.800 -0.004 0.000 1.008 316 D HN 0.110 nan 8.370 nan 0.000 0.493 317 F N 1.388 121.285 119.950 -0.088 0.000 2.069 317 F HA -0.251 4.382 4.527 0.178 0.000 0.298 317 F C 2.148 177.937 175.800 -0.018 0.000 1.113 317 F CA 1.892 59.841 58.000 -0.085 0.000 1.214 317 F CB 0.013 38.916 39.000 -0.161 0.000 0.978 317 F HN 0.116 nan 8.300 nan 0.000 0.474 318 H N -1.069 117.890 119.070 -0.184 0.000 2.421 318 H HA -0.140 4.523 4.556 0.178 0.000 0.298 318 H C 2.374 177.588 175.328 -0.189 0.000 1.087 318 H CA 1.008 56.811 56.048 -0.408 0.000 1.330 318 H CB -0.116 29.241 29.762 -0.675 0.000 1.388 318 H HN 0.244 nan 8.280 nan 0.000 0.526 319 R N 1.316 121.894 120.500 0.130 0.000 2.066 319 R HA -0.107 4.340 4.340 0.178 0.000 0.232 319 R C 2.453 178.845 176.300 0.155 0.000 1.131 319 R CA 1.100 57.333 56.100 0.221 0.000 0.955 319 R CB -0.047 30.376 30.300 0.206 0.000 0.851 319 R HN 0.179 nan 8.270 nan 0.000 0.432 320 R N 0.568 121.091 120.500 0.039 0.000 2.094 320 R HA -0.191 4.256 4.340 0.178 0.000 0.239 320 R C 2.205 178.505 176.300 0.001 0.000 1.137 320 R CA 1.975 58.079 56.100 0.007 0.000 0.943 320 R CB -0.358 29.919 30.300 -0.038 0.000 0.850 320 R HN 0.292 nan 8.270 nan 0.000 0.433 321 E N 0.724 120.818 120.200 -0.176 0.000 2.058 321 E HA -0.225 4.232 4.350 0.178 0.000 0.194 321 E C 2.046 178.616 176.600 -0.050 0.000 0.997 321 E CA 1.494 57.760 56.400 -0.223 0.000 0.801 321 E CB -0.210 29.174 29.700 -0.526 0.000 0.746 321 E HN 0.305 nan 8.360 nan 0.000 0.450 322 L N 0.862 122.095 121.223 0.016 0.000 1.994 322 L HA -0.162 4.285 4.340 0.178 0.000 0.208 322 L C 2.304 179.290 176.870 0.192 0.000 1.071 322 L CA 2.026 56.931 54.840 0.107 0.000 0.745 322 L CB -1.014 41.168 42.059 0.206 0.000 0.892 322 L HN 0.321 nan 8.230 nan 0.000 0.431 323 W N 0.877 122.215 121.300 0.063 0.000 2.363 323 W HA -0.191 4.577 4.660 0.179 0.000 0.296 323 W C 2.148 178.699 176.519 0.053 0.000 1.212 323 W CA 2.017 59.411 57.345 0.082 0.000 1.260 323 W CB -0.079 29.436 29.460 0.091 0.000 1.131 323 W HN 0.387 nan 8.180 nan 0.000 0.530 324 E N -0.200 120.178 120.200 0.297 0.000 2.216 324 E HA -0.095 4.362 4.350 0.178 0.000 0.192 324 E C 2.376 179.011 176.600 0.060 0.000 0.988 324 E CA 0.918 57.416 56.400 0.165 0.000 0.834 324 E CB -0.209 29.543 29.700 0.086 0.000 0.772 324 E HN 0.164 nan 8.360 nan 0.000 0.479 325 A N 1.179 124.031 122.820 0.054 0.000 1.898 325 A HA -0.151 4.275 4.320 0.178 0.000 0.216 325 A C 2.118 179.721 177.584 0.032 0.000 1.181 325 A CA 0.923 52.978 52.037 0.030 0.000 0.620 325 A CB -0.462 18.555 19.000 0.029 0.000 0.819 325 A HN 0.135 nan 8.150 nan 0.000 0.442 326 I N -0.537 120.081 120.570 0.080 0.000 2.315 326 I HA -0.223 4.054 4.170 0.178 0.000 0.248 326 I C 2.416 178.602 176.117 0.115 0.000 1.117 326 I CA 1.384 62.781 61.300 0.163 0.000 1.404 326 I CB -0.419 37.619 38.000 0.063 0.000 1.071 326 I HN 0.431 nan 8.210 nan 0.000 0.419 327 E N 0.807 121.027 120.200 0.034 0.000 2.204 327 E HA -0.131 4.326 4.350 0.178 0.000 0.194 327 E C 2.091 178.696 176.600 0.008 0.000 0.989 327 E CA 1.051 57.475 56.400 0.040 0.000 0.824 327 E CB -0.007 29.750 29.700 0.096 0.000 0.756 327 E HN 0.470 nan 8.360 nan 0.000 0.477 328 A N 0.062 122.859 122.820 -0.039 0.000 2.218 328 A HA 0.229 4.656 4.320 0.178 0.000 0.209 328 A C 1.712 179.210 177.584 -0.143 0.000 1.168 328 A CA 0.864 52.849 52.037 -0.088 0.000 0.804 328 A CB -0.099 18.818 19.000 -0.138 0.000 0.834 328 A HN 0.317 nan 8.150 nan 0.000 0.482 329 G N -0.461 108.182 108.800 -0.262 0.000 2.159 329 G HA2 -0.205 3.862 3.960 0.178 0.000 0.256 329 G HA3 -0.205 3.862 3.960 0.178 0.000 0.256 329 G C -0.175 174.248 174.900 -0.796 0.000 0.977 329 G CA 0.278 44.946 45.100 -0.720 0.000 0.652 329 G HN 0.451 nan 8.290 nan 0.000 0.531 330 D N 0.797 120.965 120.400 -0.387 0.000 2.896 330 D HA 0.279 5.026 4.640 0.178 0.000 0.240 330 D C 0.685 176.916 176.300 -0.115 0.000 1.193 330 D CA -0.239 53.635 54.000 -0.210 0.000 0.983 330 D CB -0.610 40.169 40.800 -0.035 0.000 1.074 330 D HN 0.418 nan 8.370 nan 0.000 0.496 331 F N 1.289 121.236 119.950 -0.004 0.000 2.590 331 F HA 0.091 4.725 4.527 0.178 0.000 0.389 331 F C -1.396 174.368 175.800 -0.060 0.000 1.049 331 F CA -1.888 56.101 58.000 -0.019 0.000 1.199 331 F CB -0.093 38.905 39.000 -0.004 0.000 1.058 331 F HN -0.112 nan 8.300 nan 0.000 0.556 332 P HA -0.073 nan 4.420 nan 0.000 0.256 332 P C -0.934 176.284 177.300 -0.136 0.000 1.173 332 P CA 0.758 63.827 63.100 -0.052 0.000 0.768 332 P CB 0.308 32.082 31.700 0.124 0.000 0.758 333 E N 2.905 122.883 120.200 -0.370 0.000 2.222 333 E HA 0.434 4.891 4.350 0.178 0.000 0.267 333 E C -0.958 175.387 176.600 -0.426 0.000 0.884 333 E CA -0.598 55.664 56.400 -0.230 0.000 0.764 333 E CB 1.519 31.180 29.700 -0.064 0.000 1.169 333 E HN 0.376 nan 8.360 nan 0.000 0.413 334 Y N 0.297 120.669 120.300 0.120 0.000 2.492 334 Y HA 0.236 4.893 4.550 0.178 0.000 0.346 334 Y C -0.237 175.887 175.900 0.374 0.000 0.997 334 Y CA -1.002 57.240 58.100 0.236 0.000 1.025 334 Y CB 2.058 40.637 38.460 0.198 0.000 1.263 334 Y HN 0.470 nan 8.280 nan 0.000 0.454 335 E N 2.815 123.343 120.200 0.547 0.000 2.156 335 E HA 0.427 4.884 4.350 0.178 0.000 0.279 335 E C -1.566 175.293 176.600 0.431 0.000 0.965 335 E CA -0.970 55.699 56.400 0.448 0.000 0.789 335 E CB 1.146 31.051 29.700 0.340 0.000 1.098 335 E HN 0.604 nan 8.360 nan 0.000 0.397 336 L N 4.222 125.622 121.223 0.295 0.000 2.380 336 L HA 0.524 4.971 4.340 0.178 0.000 0.273 336 L C -0.079 176.725 176.870 -0.111 0.000 1.138 336 L CA 0.588 55.327 54.840 -0.167 0.000 0.832 336 L CB 1.095 42.985 42.059 -0.281 0.000 1.124 336 L HN 0.606 nan 8.230 nan 0.000 0.454 337 G N 4.364 113.101 108.800 -0.104 0.000 2.620 337 G HA2 0.586 4.653 3.960 0.178 0.000 0.301 337 G HA3 0.586 4.653 3.960 0.178 0.000 0.301 337 G C -1.605 173.398 174.900 0.172 0.000 1.347 337 G CA -0.519 44.560 45.100 -0.035 0.000 0.971 337 G HN 0.465 nan 8.290 nan 0.000 0.488 338 F N 0.047 120.016 119.950 0.031 0.000 2.520 338 F HA 0.419 5.053 4.527 0.178 0.000 0.322 338 F C 0.381 176.168 175.800 -0.022 0.000 1.103 338 F CA -1.002 57.024 58.000 0.043 0.000 0.926 338 F CB 2.644 41.663 39.000 0.031 0.000 1.154 338 F HN 0.122 nan 8.300 nan 0.000 0.453 339 Q N 4.047 123.960 119.800 0.188 0.000 2.331 339 Q HA 0.494 4.941 4.340 0.178 0.000 0.257 339 Q C -1.143 174.909 176.000 0.087 0.000 0.957 339 Q CA -0.449 55.413 55.803 0.098 0.000 0.923 339 Q CB 1.806 30.615 28.738 0.117 0.000 1.212 339 Q HN 0.539 nan 8.270 nan 0.000 0.443 340 L N 4.142 125.420 121.223 0.092 0.000 2.322 340 L HA 0.590 5.037 4.340 0.178 0.000 0.281 340 L C -0.833 176.095 176.870 0.096 0.000 1.014 340 L CA -0.787 54.095 54.840 0.069 0.000 0.815 340 L CB 1.342 43.448 42.059 0.078 0.000 1.247 340 L HN 0.503 nan 8.230 nan 0.000 0.421 341 I N 4.286 124.927 120.570 0.119 0.000 2.478 341 I HA 0.409 4.686 4.170 0.178 0.000 0.287 341 I C -2.350 173.885 176.117 0.196 0.000 1.042 341 I CA -1.715 59.695 61.300 0.183 0.000 1.067 341 I CB 1.956 40.094 38.000 0.229 0.000 1.233 341 I HN 0.297 nan 8.210 nan 0.000 0.431 342 P HA 0.069 nan 4.420 nan 0.000 0.269 342 P C 0.706 178.100 177.300 0.156 0.000 1.215 342 P CA -0.172 62.977 63.100 0.082 0.000 0.780 342 P CB 0.821 32.554 31.700 0.056 0.000 0.898 343 E N 2.208 122.426 120.200 0.028 0.000 2.085 343 E HA -0.263 4.194 4.350 0.178 0.000 0.194 343 E C 1.433 178.146 176.600 0.189 0.000 0.994 343 E CA 1.175 57.623 56.400 0.079 0.000 0.801 343 E CB -0.057 29.595 29.700 -0.080 0.000 0.743 343 E HN 0.486 nan 8.360 nan 0.000 0.453 344 E N 0.229 120.495 120.200 0.111 0.000 2.472 344 E HA -0.185 4.272 4.350 0.178 0.000 0.200 344 E C 0.404 177.058 176.600 0.091 0.000 1.046 344 E CA 0.906 57.369 56.400 0.104 0.000 0.871 344 E CB 0.017 29.755 29.700 0.065 0.000 0.806 344 E HN 0.289 nan 8.360 nan 0.000 0.533 345 D N 1.184 121.638 120.400 0.090 0.000 2.349 345 D HA -0.010 4.736 4.640 0.178 0.000 0.214 345 D C 1.410 177.693 176.300 -0.028 0.000 1.063 345 D CA 0.085 54.094 54.000 0.015 0.000 0.847 345 D CB 0.127 40.936 40.800 0.014 0.000 0.933 345 D HN 0.408 nan 8.370 nan 0.000 0.513 346 E N 0.133 120.308 120.200 -0.042 0.000 2.113 346 E HA -0.235 4.222 4.350 0.178 0.000 0.210 346 E C 0.297 176.575 176.600 -0.536 0.000 1.040 346 E CA 1.288 57.443 56.400 -0.407 0.000 0.847 346 E CB -0.062 29.268 29.700 -0.617 0.000 0.755 346 E HN 0.255 nan 8.360 nan 0.000 0.459 347 F N -0.391 119.521 119.950 -0.062 0.000 2.819 347 F HA 0.268 4.902 4.527 0.178 0.000 0.294 347 F C 1.370 177.068 175.800 -0.170 0.000 1.166 347 F CA -0.319 57.626 58.000 -0.093 0.000 1.374 347 F CB 0.479 39.445 39.000 -0.057 0.000 0.956 347 F HN -0.142 nan 8.300 nan 0.000 0.509 348 K N 0.189 120.460 120.400 -0.216 0.000 2.305 348 K HA 0.104 4.531 4.320 0.178 0.000 0.199 348 K C 0.164 176.379 176.600 -0.641 0.000 1.047 348 K CA 0.586 56.592 56.287 -0.470 0.000 0.976 348 K CB 0.019 32.081 32.500 -0.730 0.000 0.765 348 K HN 0.101 nan 8.250 nan 0.000 0.474 349 F N -0.036 119.760 119.950 -0.256 0.000 2.375 349 F HA 0.140 4.774 4.527 0.178 0.000 0.317 349 F C 1.362 176.977 175.800 -0.308 0.000 1.124 349 F CA -0.687 57.077 58.000 -0.393 0.000 1.050 349 F CB 0.589 38.977 39.000 -1.019 0.000 1.314 349 F HN -0.163 nan 8.300 nan 0.000 0.511 350 D N -0.041 120.374 120.400 0.025 0.000 2.347 350 D HA 0.014 4.761 4.640 0.178 0.000 0.215 350 D C -0.291 176.107 176.300 0.163 0.000 0.976 350 D CA 0.917 54.998 54.000 0.135 0.000 0.884 350 D CB -0.102 40.883 40.800 0.308 0.000 0.915 350 D HN 0.255 nan 8.370 nan 0.000 0.526 351 F N -1.281 118.732 119.950 0.104 0.000 2.611 351 F HA 0.465 5.099 4.527 0.178 0.000 0.324 351 F C -0.092 175.684 175.800 -0.040 0.000 1.061 351 F CA -1.565 56.414 58.000 -0.035 0.000 0.954 351 F CB 0.776 39.696 39.000 -0.132 0.000 1.301 351 F HN -0.405 nan 8.300 nan 0.000 0.482 352 D N 1.723 122.106 120.400 -0.028 0.000 2.351 352 D HA 0.155 4.902 4.640 0.178 0.000 0.251 352 D C 1.083 177.304 176.300 -0.132 0.000 1.137 352 D CA 0.100 54.031 54.000 -0.116 0.000 0.879 352 D CB 1.391 42.120 40.800 -0.119 0.000 1.181 352 D HN 0.743 nan 8.370 nan 0.000 0.448 353 L N 3.493 124.573 121.223 -0.238 0.000 2.131 353 L HA -0.152 4.295 4.340 0.178 0.000 0.210 353 L C 1.966 178.722 176.870 -0.191 0.000 1.092 353 L CA 0.778 55.478 54.840 -0.233 0.000 0.759 353 L CB -0.095 41.690 42.059 -0.456 0.000 0.903 353 L HN 0.463 nan 8.230 nan 0.000 0.435 354 L N -0.857 120.261 121.223 -0.176 0.000 2.612 354 L HA 0.065 4.512 4.340 0.178 0.000 0.230 354 L C 0.296 177.110 176.870 -0.093 0.000 1.140 354 L CA -0.180 54.623 54.840 -0.061 0.000 0.896 354 L CB -0.456 41.640 42.059 0.063 0.000 1.065 354 L HN 0.107 nan 8.230 nan 0.000 0.447 355 D N 1.701 121.842 120.400 -0.430 0.000 2.280 355 D HA 0.147 4.894 4.640 0.178 0.000 0.243 355 D C -1.619 174.503 176.300 -0.298 0.000 1.129 355 D CA -2.342 51.179 54.000 -0.798 0.000 0.848 355 D CB 1.762 41.776 40.800 -1.310 0.000 1.107 355 D HN -0.122 nan 8.370 nan 0.000 0.471 356 P HA -0.023 nan 4.420 nan 0.000 0.245 356 P C 0.795 178.042 177.300 -0.088 0.000 1.212 356 P CA 0.618 63.700 63.100 -0.030 0.000 0.774 356 P CB -0.012 31.766 31.700 0.130 0.000 0.999 357 T N -4.485 110.000 114.554 -0.115 0.000 3.086 357 T HA 0.179 4.636 4.350 0.178 0.000 0.250 357 T C 0.666 175.311 174.700 -0.092 0.000 1.074 357 T CA -0.179 61.864 62.100 -0.095 0.000 0.988 357 T CB -0.177 68.673 68.868 -0.031 0.000 0.988 357 T HN -0.172 nan 8.240 nan 0.000 0.530 358 K N 2.198 122.450 120.400 -0.246 0.000 2.244 358 K HA 0.573 5.000 4.320 0.178 0.000 0.260 358 K C -0.339 176.103 176.600 -0.263 0.000 0.951 358 K CA -0.811 55.208 56.287 -0.446 0.000 0.826 358 K CB 2.182 34.283 32.500 -0.665 0.000 1.108 358 K HN 0.310 nan 8.250 nan 0.000 0.433 359 L N -0.323 120.864 121.223 -0.059 0.000 2.400 359 L HA 0.667 5.114 4.340 0.178 0.000 0.264 359 L C 0.007 176.713 176.870 -0.274 0.000 1.061 359 L CA -0.524 54.242 54.840 -0.124 0.000 0.799 359 L CB 0.325 42.372 42.059 -0.019 0.000 1.240 359 L HN 0.444 nan 8.230 nan 0.000 0.461 360 I N 1.169 121.666 120.570 -0.122 0.000 2.337 360 I HA 0.361 4.638 4.170 0.178 0.000 0.285 360 I C -2.140 173.992 176.117 0.025 0.000 1.041 360 I CA -1.678 59.591 61.300 -0.051 0.000 1.199 360 I CB 1.000 38.990 38.000 -0.017 0.000 1.370 360 I HN 0.432 nan 8.210 nan 0.000 0.470 361 P HA -0.062 nan 4.420 nan 0.000 0.261 361 P C 0.441 177.803 177.300 0.103 0.000 1.165 361 P CA 0.419 63.558 63.100 0.064 0.000 0.759 361 P CB 0.549 32.283 31.700 0.057 0.000 0.772 362 E N 2.094 122.369 120.200 0.125 0.000 2.204 362 E HA -0.204 4.253 4.350 0.178 0.000 0.195 362 E C 1.488 178.145 176.600 0.093 0.000 0.990 362 E CA 0.767 57.233 56.400 0.109 0.000 0.821 362 E CB -0.018 29.753 29.700 0.118 0.000 0.750 362 E HN 0.526 nan 8.360 nan 0.000 0.477 363 E N 0.469 120.723 120.200 0.090 0.000 2.118 363 E HA -0.177 4.280 4.350 0.178 0.000 0.195 363 E C 2.138 178.801 176.600 0.104 0.000 0.992 363 E CA 0.878 57.328 56.400 0.084 0.000 0.804 363 E CB -0.023 29.720 29.700 0.071 0.000 0.741 363 E HN 0.364 nan 8.360 nan 0.000 0.458 364 L N -0.139 121.167 121.223 0.137 0.000 2.127 364 L HA -0.004 4.442 4.340 0.178 0.000 0.203 364 L C 0.784 177.769 176.870 0.192 0.000 1.080 364 L CA 0.513 55.470 54.840 0.195 0.000 0.768 364 L CB 0.272 42.516 42.059 0.308 0.000 0.924 364 L HN -0.181 nan 8.230 nan 0.000 0.444 365 V N 0.637 120.643 119.914 0.153 0.000 2.419 365 V HA 0.322 4.549 4.120 0.178 0.000 0.287 365 V C -2.399 173.746 176.094 0.084 0.000 1.017 365 V CA -1.598 60.781 62.300 0.131 0.000 0.844 365 V CB 1.222 33.119 31.823 0.123 0.000 1.011 365 V HN -0.048 nan 8.190 nan 0.000 0.429 366 P HA 0.147 nan 4.420 nan 0.000 0.269 366 P C -0.367 176.937 177.300 0.007 0.000 1.215 366 P CA -0.063 63.061 63.100 0.040 0.000 0.780 366 P CB 0.768 32.495 31.700 0.045 0.000 0.898 367 V N 3.643 123.531 119.914 -0.043 0.000 2.368 367 V HA 0.111 4.338 4.120 0.178 0.000 0.266 367 V C 0.433 176.511 176.094 -0.026 0.000 1.045 367 V CA -0.019 62.213 62.300 -0.115 0.000 0.899 367 V CB -0.023 31.646 31.823 -0.257 0.000 1.006 367 V HN 0.471 nan 8.190 nan 0.000 0.470 368 Q N 5.240 125.046 119.800 0.010 0.000 2.274 368 Q HA 0.394 4.841 4.340 0.178 0.000 0.256 368 Q C 0.309 176.304 176.000 -0.009 0.000 0.927 368 Q CA -0.590 55.224 55.803 0.019 0.000 0.939 368 Q CB 1.432 30.195 28.738 0.042 0.000 1.201 368 Q HN 0.740 nan 8.270 nan 0.000 0.426 369 R N 1.504 122.024 120.500 0.033 0.000 2.537 369 R HA 0.073 4.520 4.340 0.178 0.000 0.280 369 R C -0.512 175.823 176.300 0.058 0.000 1.058 369 R CA -0.014 56.148 56.100 0.103 0.000 1.057 369 R CB 0.438 30.872 30.300 0.223 0.000 0.973 369 R HN 0.479 nan 8.270 nan 0.000 0.438 370 V N 2.179 122.039 119.914 -0.090 0.000 3.013 370 V HA 0.323 4.550 4.120 0.178 0.000 0.238 370 V C 0.970 176.864 176.094 -0.335 0.000 1.161 370 V CA 1.173 63.308 62.300 -0.275 0.000 1.170 370 V CB 0.532 31.931 31.823 -0.706 0.000 0.917 370 V HN 1.068 nan 8.190 nan 0.000 0.478 371 G N -0.439 108.025 108.800 -0.559 0.000 2.430 371 G HA2 0.467 4.534 3.960 0.178 0.000 0.300 371 G HA3 0.467 4.534 3.960 0.178 0.000 0.300 371 G C -1.822 172.678 174.900 -0.667 0.000 1.330 371 G CA -0.559 43.859 45.100 -1.136 0.000 0.813 371 G HN 0.054 nan 8.290 nan 0.000 0.487 372 K N -0.568 119.480 120.400 -0.587 0.000 2.318 372 K HA 0.769 5.196 4.320 0.178 0.000 0.249 372 K C -0.875 175.773 176.600 0.080 0.000 0.942 372 K CA -0.834 55.415 56.287 -0.063 0.000 0.808 372 K CB 2.074 34.572 32.500 -0.003 0.000 1.189 372 K HN 0.604 nan 8.250 nan 0.000 0.428 373 M N 4.209 123.962 119.600 0.255 0.000 2.259 373 M HA 0.400 4.987 4.480 0.178 0.000 0.304 373 M C -1.859 174.412 176.300 -0.048 0.000 1.019 373 M CA -0.729 54.669 55.300 0.163 0.000 0.922 373 M CB 1.729 34.457 32.600 0.213 0.000 1.600 373 M HN 0.322 nan 8.290 nan 0.000 0.433 374 V N 5.513 125.213 119.914 -0.356 0.000 2.540 374 V HA 0.467 4.694 4.120 0.178 0.000 0.302 374 V C -0.879 175.074 176.094 -0.235 0.000 1.035 374 V CA -0.837 61.286 62.300 -0.296 0.000 0.873 374 V CB 1.785 33.332 31.823 -0.461 0.000 0.992 374 V HN 0.682 nan 8.190 nan 0.000 0.428 375 L N 5.885 127.059 121.223 -0.080 0.000 2.270 375 L HA 0.441 4.887 4.340 0.178 0.000 0.286 375 L C 0.778 177.537 176.870 -0.185 0.000 1.059 375 L CA 0.156 54.953 54.840 -0.072 0.000 0.839 375 L CB 0.660 42.739 42.059 0.034 0.000 1.221 375 L HN 0.871 nan 8.230 nan 0.000 0.431 376 N N 1.964 120.433 118.700 -0.385 0.000 2.170 376 N HA 0.135 4.982 4.740 0.178 0.000 0.222 376 N C 0.148 175.437 175.510 -0.367 0.000 1.218 376 N CA -0.199 52.319 53.050 -0.887 0.000 0.889 376 N CB 0.731 38.370 38.487 -1.412 0.000 1.083 376 N HN 0.350 nan 8.380 nan 0.000 0.520 377 R N 0.364 120.775 120.500 -0.148 0.000 2.535 377 R HA 0.301 4.748 4.340 0.178 0.000 0.274 377 R C -1.254 175.003 176.300 -0.072 0.000 1.090 377 R CA -0.553 55.489 56.100 -0.097 0.000 0.930 377 R CB 1.307 31.551 30.300 -0.093 0.000 1.223 377 R HN 0.051 nan 8.270 nan 0.000 0.441 378 N N 3.003 121.542 118.700 -0.268 0.000 2.444 378 N HA 0.256 5.103 4.740 0.178 0.000 0.255 378 N C -2.292 173.150 175.510 -0.112 0.000 1.255 378 N CA -1.313 51.453 53.050 -0.474 0.000 0.933 378 N CB 0.463 38.051 38.487 -1.498 0.000 1.143 378 N HN 0.273 nan 8.380 nan 0.000 0.453 379 P HA 0.081 nan 4.420 nan 0.000 0.272 379 P C 0.249 177.713 177.300 0.273 0.000 1.254 379 P CA -0.018 63.269 63.100 0.312 0.000 0.795 379 P CB 0.747 32.685 31.700 0.397 0.000 1.022 380 D N -1.499 119.054 120.400 0.254 0.000 2.324 380 D HA 0.020 4.767 4.640 0.178 0.000 0.212 380 D C 0.213 176.687 176.300 0.289 0.000 0.984 380 D CA 1.161 55.306 54.000 0.242 0.000 0.885 380 D CB 0.212 41.096 40.800 0.140 0.000 0.996 380 D HN 0.320 nan 8.370 nan 0.000 0.505 381 N N -0.114 118.756 118.700 0.283 0.000 2.430 381 N HA 0.013 4.859 4.740 0.178 0.000 0.290 381 N C -0.129 175.589 175.510 0.346 0.000 1.063 381 N CA -0.344 52.883 53.050 0.295 0.000 0.883 381 N CB 1.458 40.085 38.487 0.234 0.000 1.465 381 N HN -0.173 nan 8.380 nan 0.000 0.493 382 F N 4.144 124.241 119.950 0.245 0.000 2.102 382 F HA -0.113 4.520 4.527 0.176 0.000 0.298 382 F C 1.722 177.649 175.800 0.211 0.000 1.105 382 F CA 1.371 59.513 58.000 0.237 0.000 1.239 382 F CB -0.086 39.026 39.000 0.186 0.000 0.991 382 F HN 0.603 nan 8.300 nan 0.000 0.474 383 F N 0.895 121.071 119.950 0.375 0.000 2.069 383 F HA -0.161 4.480 4.527 0.191 0.000 0.298 383 F C 2.324 178.182 175.800 0.096 0.000 1.113 383 F CA 1.837 59.979 58.000 0.236 0.000 1.214 383 F CB -0.958 38.154 39.000 0.187 0.000 0.978 383 F HN -0.002 nan 8.300 nan 0.000 0.474 384 A N -0.271 122.699 122.820 0.250 0.000 1.902 384 A HA -0.185 4.242 4.320 0.178 0.000 0.217 384 A C 2.085 179.624 177.584 -0.075 0.000 1.181 384 A CA 2.097 54.195 52.037 0.101 0.000 0.623 384 A CB -0.723 18.376 19.000 0.164 0.000 0.818 384 A HN 0.604 nan 8.150 nan 0.000 0.443 385 E N -1.483 118.684 120.200 -0.056 0.000 2.162 385 E HA -0.059 4.398 4.350 0.178 0.000 0.193 385 E C 1.976 178.510 176.600 -0.110 0.000 0.953 385 E CA 0.515 56.825 56.400 -0.149 0.000 0.849 385 E CB -0.101 29.559 29.700 -0.067 0.000 0.810 385 E HN 0.576 nan 8.360 nan 0.000 0.470 386 N N 1.251 119.873 118.700 -0.129 0.000 2.240 386 N HA -0.146 4.701 4.740 0.178 0.000 0.187 386 N C 1.807 177.135 175.510 -0.304 0.000 1.042 386 N CA 1.266 54.177 53.050 -0.231 0.000 0.861 386 N CB 0.010 38.054 38.487 -0.738 0.000 1.026 386 N HN -0.092 nan 8.380 nan 0.000 0.441 387 E N 0.863 120.812 120.200 -0.418 0.000 2.130 387 E HA -0.134 4.323 4.350 0.178 0.000 0.196 387 E C 1.683 178.075 176.600 -0.345 0.000 0.998 387 E CA 1.535 57.758 56.400 -0.295 0.000 0.806 387 E CB -0.161 29.401 29.700 -0.229 0.000 0.738 387 E HN 0.507 nan 8.360 nan 0.000 0.459 388 Q N -0.418 119.123 119.800 -0.431 0.000 2.451 388 Q HA 0.215 4.662 4.340 0.178 0.000 0.206 388 Q C 0.060 175.942 176.000 -0.197 0.000 0.947 388 Q CA 0.241 55.844 55.803 -0.333 0.000 0.937 388 Q CB 0.370 28.892 28.738 -0.360 0.000 1.025 388 Q HN 0.222 nan 8.270 nan 0.000 0.511 389 A N 1.169 123.893 122.820 -0.160 0.000 2.511 389 A HA 0.438 4.865 4.320 0.178 0.000 0.242 389 A C -0.148 177.319 177.584 -0.193 0.000 1.069 389 A CA 0.223 52.147 52.037 -0.188 0.000 0.763 389 A CB 0.233 19.180 19.000 -0.089 0.000 1.001 389 A HN 0.269 nan 8.150 nan 0.000 0.498 390 A N 2.341 125.006 122.820 -0.258 0.000 2.319 390 A HA 0.716 5.143 4.320 0.178 0.000 0.310 390 A C -0.786 176.706 177.584 -0.153 0.000 1.152 390 A CA -0.423 51.553 52.037 -0.102 0.000 0.783 390 A CB 0.383 19.409 19.000 0.043 0.000 1.184 390 A HN 0.640 nan 8.150 nan 0.000 0.474 391 F N 1.576 121.552 119.950 0.043 0.000 2.470 391 F HA 0.637 5.271 4.527 0.178 0.000 0.329 391 F C 0.439 176.186 175.800 -0.088 0.000 1.072 391 F CA -0.103 57.892 58.000 -0.009 0.000 0.989 391 F CB 1.803 40.761 39.000 -0.071 0.000 1.193 391 F HN 0.661 nan 8.300 nan 0.000 0.481 392 H N 3.495 122.428 119.070 -0.228 0.000 3.083 392 H HA 0.287 4.950 4.556 0.178 0.000 0.339 392 H C -2.412 172.601 175.328 -0.524 0.000 1.020 392 H CA -2.750 52.897 56.048 -0.669 0.000 1.360 392 H CB 2.607 31.807 29.762 -0.937 0.000 1.811 392 H HN 0.173 nan 8.280 nan 0.000 0.493 393 P HA -0.037 nan 4.420 nan 0.000 0.222 393 P C 1.243 178.635 177.300 0.153 0.000 1.147 393 P CA 1.353 64.458 63.100 0.008 0.000 0.790 393 P CB 0.066 31.774 31.700 0.015 0.000 0.780 394 G N -1.355 107.367 108.800 -0.130 0.000 2.650 394 G HA2 -0.145 3.922 3.960 0.178 0.000 0.214 394 G HA3 -0.145 3.922 3.960 0.178 0.000 0.214 394 G C 0.424 175.249 174.900 -0.125 0.000 1.136 394 G CA -0.016 44.927 45.100 -0.261 0.000 0.789 394 G HN 0.408 nan 8.290 nan 0.000 0.536 395 H N 0.856 119.798 119.070 -0.213 0.000 3.224 395 H HA 0.324 4.987 4.556 0.178 0.000 0.265 395 H C 0.530 175.896 175.328 0.063 0.000 1.461 395 H CA -0.688 55.299 56.048 -0.102 0.000 1.509 395 H CB -0.074 29.632 29.762 -0.094 0.000 1.686 395 H HN 0.370 nan 8.280 nan 0.000 0.514 396 I N -0.016 120.617 120.570 0.106 0.000 3.133 396 I HA 0.707 4.984 4.170 0.178 0.000 0.311 396 I C -0.281 175.817 176.117 -0.032 0.000 1.072 396 I CA -1.414 59.898 61.300 0.020 0.000 1.015 396 I CB 2.026 39.937 38.000 -0.148 0.000 1.233 396 I HN 0.144 nan 8.210 nan 0.000 0.473 397 V N -2.025 117.871 119.914 -0.030 0.000 3.078 397 V HA 0.662 4.889 4.120 0.178 0.000 0.311 397 V C -2.879 173.307 176.094 0.152 0.000 1.138 397 V CA -2.508 59.833 62.300 0.067 0.000 1.007 397 V CB 1.107 32.935 31.823 0.009 0.000 1.045 397 V HN 0.641 nan 8.190 nan 0.000 0.432 398 P HA 0.346 nan 4.420 nan 0.000 0.262 398 P C 0.926 178.189 177.300 -0.061 0.000 1.182 398 P CA 2.079 65.188 63.100 0.016 0.000 0.761 398 P CB 0.581 32.290 31.700 0.015 0.000 0.795 399 G N 1.646 110.359 108.800 -0.146 0.000 2.231 399 G HA2 -0.151 3.916 3.960 0.178 0.000 0.206 399 G HA3 -0.151 3.916 3.960 0.178 0.000 0.206 399 G C -0.268 174.523 174.900 -0.183 0.000 0.996 399 G CA -0.471 44.537 45.100 -0.154 0.000 0.645 399 G HN 0.450 nan 8.290 nan 0.000 0.498 400 L N 0.063 121.184 121.223 -0.169 0.000 2.333 400 L HA 0.903 5.349 4.340 0.178 0.000 0.263 400 L C -0.753 176.025 176.870 -0.153 0.000 1.014 400 L CA -1.029 53.696 54.840 -0.192 0.000 0.820 400 L CB 2.218 44.101 42.059 -0.294 0.000 1.352 400 L HN 0.109 nan 8.230 nan 0.000 0.421 401 D N -0.593 119.710 120.400 -0.163 0.000 2.671 401 D HA 0.416 5.162 4.640 0.178 0.000 0.273 401 D C -1.100 175.123 176.300 -0.128 0.000 1.264 401 D CA -0.353 53.526 54.000 -0.202 0.000 0.788 401 D CB 1.827 42.582 40.800 -0.074 0.000 1.324 401 D HN 0.095 nan 8.370 nan 0.000 0.424 402 F N -0.079 120.009 119.950 0.229 0.000 2.234 402 F HA 0.518 5.152 4.527 0.178 0.000 0.292 402 F C 1.597 177.437 175.800 0.067 0.000 1.187 402 F CA -0.153 57.930 58.000 0.138 0.000 1.128 402 F CB 0.621 39.668 39.000 0.079 0.000 1.507 402 F HN 0.221 nan 8.300 nan 0.000 0.512 403 T N -3.281 111.396 114.554 0.204 0.000 2.831 403 T HA 0.315 4.772 4.350 0.178 0.000 0.287 403 T C -0.136 174.618 174.700 0.090 0.000 1.070 403 T CA -1.020 61.173 62.100 0.156 0.000 1.010 403 T CB 1.203 70.146 68.868 0.126 0.000 1.264 403 T HN 0.339 nan 8.240 nan 0.000 0.532 404 N N 1.327 120.082 118.700 0.091 0.000 2.421 404 N HA 0.059 4.905 4.740 0.178 0.000 0.201 404 N C 0.002 175.530 175.510 0.031 0.000 1.198 404 N CA 0.061 53.143 53.050 0.054 0.000 0.838 404 N CB -0.414 38.117 38.487 0.074 0.000 1.011 404 N HN 0.691 nan 8.380 nan 0.000 0.463 405 D N 2.196 122.599 120.400 0.005 0.000 2.581 405 D HA -0.066 4.681 4.640 0.178 0.000 0.238 405 D C -1.299 174.992 176.300 -0.014 0.000 1.145 405 D CA -1.029 52.989 54.000 0.031 0.000 0.866 405 D CB 1.310 42.078 40.800 -0.055 0.000 1.151 405 D HN 0.145 nan 8.370 nan 0.000 0.500 406 P HA -0.115 nan 4.420 nan 0.000 0.229 406 P C 1.536 178.845 177.300 0.015 0.000 1.160 406 P CA 0.238 63.343 63.100 0.009 0.000 0.777 406 P CB 0.398 32.080 31.700 -0.030 0.000 0.814 407 L N -0.679 120.572 121.223 0.047 0.000 2.127 407 L HA 0.034 4.481 4.340 0.178 0.000 0.203 407 L C 2.360 179.161 176.870 -0.115 0.000 1.080 407 L CA 1.062 55.932 54.840 0.049 0.000 0.768 407 L CB -1.403 40.773 42.059 0.195 0.000 0.924 407 L HN -0.186 nan 8.230 nan 0.000 0.444 408 L N -0.476 120.512 121.223 -0.391 0.000 2.017 408 L HA -0.215 4.232 4.340 0.178 0.000 0.208 408 L C 2.501 179.171 176.870 -0.333 0.000 1.073 408 L CA 1.806 56.247 54.840 -0.665 0.000 0.745 408 L CB -0.929 40.555 42.059 -0.958 0.000 0.894 408 L HN 0.362 nan 8.230 nan 0.000 0.432 409 Q N -0.229 119.427 119.800 -0.241 0.000 2.045 409 Q HA -0.190 4.257 4.340 0.178 0.000 0.206 409 Q C 2.116 178.055 176.000 -0.102 0.000 0.991 409 Q CA 1.963 57.665 55.803 -0.169 0.000 0.851 409 Q CB -1.054 27.624 28.738 -0.100 0.000 0.911 409 Q HN 0.682 nan 8.270 nan 0.000 0.418 410 G N 0.592 109.359 108.800 -0.056 0.000 2.422 410 G HA2 -0.246 3.821 3.960 0.178 0.000 0.218 410 G HA3 -0.246 3.821 3.960 0.178 0.000 0.218 410 G C 1.537 176.452 174.900 0.026 0.000 1.140 410 G CA 0.452 45.552 45.100 0.001 0.000 0.775 410 G HN 0.258 nan 8.290 nan 0.000 0.545 411 R N -0.247 120.237 120.500 -0.025 0.000 2.127 411 R HA 0.038 4.485 4.340 0.178 0.000 0.238 411 R C 2.518 178.904 176.300 0.144 0.000 1.134 411 R CA 0.785 56.916 56.100 0.051 0.000 0.975 411 R CB -0.389 29.958 30.300 0.078 0.000 0.865 411 R HN 0.351 nan 8.270 nan 0.000 0.447 412 L N -0.543 120.708 121.223 0.047 0.000 2.127 412 L HA -0.210 4.237 4.340 0.178 0.000 0.211 412 L C 2.226 179.194 176.870 0.164 0.000 1.089 412 L CA 1.113 55.995 54.840 0.071 0.000 0.757 412 L CB -0.447 41.510 42.059 -0.171 0.000 0.899 412 L HN 0.169 nan 8.230 nan 0.000 0.434 413 F N 0.235 120.194 119.950 0.015 0.000 2.113 413 F HA -0.109 4.525 4.527 0.179 0.000 0.297 413 F C 2.237 178.043 175.800 0.009 0.000 1.103 413 F CA 0.963 58.972 58.000 0.016 0.000 1.248 413 F CB -0.173 38.819 39.000 -0.013 0.000 0.999 413 F HN -0.026 nan 8.300 nan 0.000 0.475 414 S N -1.493 114.153 115.700 -0.090 0.000 2.463 414 S HA 0.099 4.676 4.470 0.178 0.000 0.241 414 S C 0.494 174.895 174.600 -0.332 0.000 1.299 414 S CA 0.441 58.471 58.200 -0.283 0.000 0.979 414 S CB -0.229 62.819 63.200 -0.253 0.000 0.950 414 S HN 0.538 nan 8.310 nan 0.000 0.516 415 Y N -1.118 118.929 120.300 -0.422 0.000 2.720 415 Y HA -0.358 4.298 4.550 0.178 0.000 0.481 415 Y C 2.405 178.049 175.900 -0.426 0.000 1.080 415 Y CA 1.987 59.769 58.100 -0.530 0.000 2.975 415 Y CB -2.391 35.441 38.460 -1.046 0.000 1.020 415 Y HN 0.627 nan 8.280 nan 0.000 0.585 416 T N 0.109 114.549 114.554 -0.191 0.000 2.597 416 T HA -0.304 4.153 4.350 0.178 0.000 0.267 416 T C 1.300 175.940 174.700 -0.099 0.000 1.053 416 T CA 1.971 64.079 62.100 0.012 0.000 1.165 416 T CB -0.704 68.241 68.868 0.130 0.000 0.863 416 T HN 0.570 nan 8.240 nan 0.000 0.427 417 D N 0.207 120.486 120.400 -0.202 0.000 2.127 417 D HA -0.146 4.601 4.640 0.178 0.000 0.190 417 D C 2.309 178.500 176.300 -0.181 0.000 1.000 417 D CA 1.993 55.863 54.000 -0.217 0.000 0.839 417 D CB -0.628 39.932 40.800 -0.401 0.000 0.955 417 D HN 0.332 nan 8.370 nan 0.000 0.446 418 T N -1.318 113.103 114.554 -0.222 0.000 2.915 418 T HA -0.108 4.349 4.350 0.178 0.000 0.269 418 T C 1.871 176.428 174.700 -0.238 0.000 1.071 418 T CA 1.382 63.364 62.100 -0.198 0.000 1.132 418 T CB -0.159 68.582 68.868 -0.211 0.000 0.878 418 T HN 0.195 nan 8.240 nan 0.000 0.479 419 Q N -0.108 119.489 119.800 -0.339 0.000 2.119 419 Q HA 0.090 4.537 4.340 0.178 0.000 0.201 419 Q C 2.206 177.861 176.000 -0.575 0.000 0.972 419 Q CA 1.275 56.731 55.803 -0.579 0.000 0.847 419 Q CB -0.131 28.014 28.738 -0.990 0.000 0.903 419 Q HN 0.548 nan 8.270 nan 0.000 0.433 420 I N -0.192 120.174 120.570 -0.341 0.000 2.252 420 I HA -0.277 4.000 4.170 0.178 0.000 0.245 420 I C 2.506 178.573 176.117 -0.083 0.000 1.102 420 I CA 0.954 62.189 61.300 -0.108 0.000 1.385 420 I CB -0.301 37.719 38.000 0.035 0.000 1.064 420 I HN 0.170 nan 8.210 nan 0.000 0.414 421 S N 0.780 116.425 115.700 -0.093 0.000 2.359 421 S HA -0.260 4.317 4.470 0.178 0.000 0.224 421 S C 2.277 176.841 174.600 -0.061 0.000 1.035 421 S CA 1.690 59.855 58.200 -0.058 0.000 1.018 421 S CB -0.211 62.953 63.200 -0.058 0.000 0.876 421 S HN 0.333 nan 8.310 nan 0.000 0.448 422 R N -0.022 120.417 120.500 -0.102 0.000 2.062 422 R HA 0.120 4.567 4.340 0.178 0.000 0.231 422 R C 2.228 178.479 176.300 -0.081 0.000 1.136 422 R CA 1.641 57.686 56.100 -0.092 0.000 0.948 422 R CB -0.280 29.938 30.300 -0.136 0.000 0.845 422 R HN 0.464 nan 8.270 nan 0.000 0.430 423 L N -1.220 119.927 121.223 -0.126 0.000 2.446 423 L HA 0.258 4.705 4.340 0.178 0.000 0.219 423 L C 1.168 178.033 176.870 -0.008 0.000 1.116 423 L CA 0.556 55.350 54.840 -0.077 0.000 0.844 423 L CB 0.460 42.445 42.059 -0.124 0.000 0.970 423 L HN 0.645 nan 8.230 nan 0.000 0.457 424 G N -0.347 108.454 108.800 0.000 0.000 2.144 424 G HA2 -0.027 4.040 3.960 0.178 0.000 0.218 424 G HA3 -0.027 4.040 3.960 0.178 0.000 0.218 424 G C 0.312 175.256 174.900 0.073 0.000 0.988 424 G CA -0.317 44.805 45.100 0.037 0.000 0.659 424 G HN 0.719 nan 8.290 nan 0.000 0.522 425 G N -1.371 107.496 108.800 0.112 0.000 2.316 425 G HA2 0.685 4.752 3.960 0.178 0.000 0.296 425 G HA3 0.685 4.752 3.960 0.178 0.000 0.296 425 G C -2.178 172.879 174.900 0.261 0.000 1.399 425 G CA 0.352 45.542 45.100 0.150 0.000 0.833 425 G HN 0.326 nan 8.290 nan 0.000 0.565 426 P HA 0.066 nan 4.420 nan 0.000 0.245 426 P C 0.266 177.632 177.300 0.111 0.000 1.212 426 P CA 0.390 63.617 63.100 0.213 0.000 0.774 426 P CB 0.288 32.071 31.700 0.137 0.000 0.999 427 N N 0.273 119.006 118.700 0.056 0.000 2.279 427 N HA 0.061 4.907 4.740 0.178 0.000 0.226 427 N C 1.071 176.396 175.510 -0.308 0.000 1.126 427 N CA -0.162 52.772 53.050 -0.193 0.000 0.846 427 N CB -0.525 37.897 38.487 -0.109 0.000 1.050 427 N HN 0.286 nan 8.380 nan 0.000 0.502 428 F N 0.930 120.828 119.950 -0.086 0.000 2.494 428 F HA -0.054 4.580 4.527 0.178 0.000 0.298 428 F C 2.148 177.889 175.800 -0.099 0.000 1.106 428 F CA 0.643 58.589 58.000 -0.090 0.000 1.452 428 F CB -0.705 38.271 39.000 -0.040 0.000 1.085 428 F HN 0.167 nan 8.300 nan 0.000 0.569 429 H N 0.284 118.948 119.070 -0.677 0.000 2.559 429 H HA 0.078 4.741 4.556 0.179 0.000 0.273 429 H C 0.721 175.927 175.328 -0.203 0.000 1.000 429 H CA 1.244 57.015 56.048 -0.462 0.000 1.195 429 H CB -0.603 28.794 29.762 -0.608 0.000 1.368 429 H HN 0.535 nan 8.280 nan 0.000 0.592 430 E N 0.974 120.860 120.200 -0.523 0.000 2.474 430 E HA 0.189 4.646 4.350 0.178 0.000 0.194 430 E C 0.246 176.779 176.600 -0.111 0.000 1.041 430 E CA -0.317 55.933 56.400 -0.249 0.000 0.874 430 E CB 0.543 30.098 29.700 -0.242 0.000 0.914 430 E HN 0.419 nan 8.360 nan 0.000 0.498 431 I N 2.616 123.127 120.570 -0.098 0.000 2.618 431 I HA -0.052 4.225 4.170 0.178 0.000 0.284 431 I C -1.527 174.557 176.117 -0.055 0.000 1.146 431 I CA -1.472 59.794 61.300 -0.057 0.000 1.425 431 I CB 0.579 38.557 38.000 -0.037 0.000 1.383 431 I HN -0.176 nan 8.210 nan 0.000 0.562 432 P HA -0.263 nan 4.420 nan 0.000 0.216 432 P C 1.735 178.981 177.300 -0.089 0.000 1.167 432 P CA 1.382 64.445 63.100 -0.062 0.000 0.914 432 P CB 0.146 31.812 31.700 -0.057 0.000 0.793 433 I N -0.896 119.591 120.570 -0.138 0.000 2.454 433 I HA -0.189 4.088 4.170 0.178 0.000 0.254 433 I C 1.408 177.455 176.117 -0.116 0.000 1.156 433 I CA 1.691 62.856 61.300 -0.226 0.000 1.433 433 I CB -0.691 37.052 38.000 -0.428 0.000 1.082 433 I HN -0.108 nan 8.210 nan 0.000 0.432 434 N N 0.632 119.287 118.700 -0.075 0.000 2.446 434 N HA 0.019 4.866 4.740 0.178 0.000 0.179 434 N C 0.381 175.908 175.510 0.028 0.000 1.054 434 N CA 0.249 53.280 53.050 -0.031 0.000 0.905 434 N CB -0.106 38.385 38.487 0.007 0.000 0.973 434 N HN 0.384 nan 8.380 nan 0.000 0.448 435 R N 1.853 122.380 120.500 0.045 0.000 2.590 435 R HA 0.122 4.569 4.340 0.178 0.000 0.274 435 R C -2.034 174.355 176.300 0.148 0.000 1.061 435 R CA -1.052 55.091 56.100 0.071 0.000 1.081 435 R CB -0.043 30.285 30.300 0.046 0.000 0.984 435 R HN 0.122 nan 8.270 nan 0.000 0.448 436 P HA -0.041 nan 4.420 nan 0.000 0.271 436 P C 0.326 177.700 177.300 0.123 0.000 1.233 436 P CA -0.022 63.169 63.100 0.151 0.000 0.789 436 P CB 0.547 32.293 31.700 0.076 0.000 0.951 437 T N -2.119 112.510 114.554 0.124 0.000 2.857 437 T HA -0.002 4.455 4.350 0.178 0.000 0.266 437 T C 0.918 175.638 174.700 0.034 0.000 1.048 437 T CA 0.655 62.780 62.100 0.042 0.000 1.139 437 T CB -0.654 68.240 68.868 0.043 0.000 0.874 437 T HN 0.366 nan 8.240 nan 0.000 0.455 438 C N 3.941 123.274 119.300 0.054 0.000 2.319 438 C HA 0.511 5.078 4.460 0.178 0.000 0.335 438 C C -2.079 172.930 174.990 0.033 0.000 1.274 438 C CA -2.012 57.030 59.018 0.041 0.000 1.806 438 C CB 0.664 28.436 27.740 0.054 0.000 2.329 438 C HN 0.419 nan 8.230 nan 0.000 0.524 439 P HA -0.046 nan 4.420 nan 0.000 0.261 439 P C -0.878 176.273 177.300 -0.249 0.000 1.165 439 P CA 0.508 63.512 63.100 -0.160 0.000 0.759 439 P CB 0.095 31.658 31.700 -0.227 0.000 0.772 440 Y N 0.941 121.078 120.300 -0.271 0.000 2.326 440 Y HA 0.565 5.222 4.550 0.178 0.000 0.324 440 Y C -0.128 175.462 175.900 -0.516 0.000 1.291 440 Y CA -0.903 57.047 58.100 -0.251 0.000 1.348 440 Y CB 0.742 39.096 38.460 -0.177 0.000 1.294 440 Y HN 0.371 nan 8.280 nan 0.000 0.525 441 H N 1.986 121.037 119.070 -0.031 0.000 2.924 441 H HA 0.409 5.073 4.556 0.179 0.000 0.333 441 H C -1.080 174.198 175.328 -0.082 0.000 0.979 441 H CA -0.735 55.227 56.048 -0.142 0.000 1.326 441 H CB 0.977 30.651 29.762 -0.146 0.000 1.600 441 H HN 0.846 nan 8.280 nan 0.000 0.520 442 N N 0.734 119.400 118.700 -0.056 0.000 3.439 442 N HA 0.219 5.066 4.740 0.178 0.000 0.313 442 N C -1.005 174.310 175.510 -0.325 0.000 1.598 442 N CA -0.908 52.059 53.050 -0.139 0.000 0.830 442 N CB 0.748 39.279 38.487 0.073 0.000 1.849 442 N HN 0.244 nan 8.380 nan 0.000 0.598 443 F N -0.508 119.502 119.950 0.101 0.000 2.653 443 F HA 0.373 5.007 4.527 0.178 0.000 0.304 443 F C 0.409 176.266 175.800 0.094 0.000 1.092 443 F CA -0.366 57.688 58.000 0.089 0.000 1.279 443 F CB 0.279 39.323 39.000 0.074 0.000 1.044 443 F HN 0.153 nan 8.300 nan 0.000 0.564 444 Q N 1.612 121.537 119.800 0.208 0.000 2.364 444 Q HA 0.320 4.767 4.340 0.178 0.000 0.267 444 Q C 0.039 176.131 176.000 0.153 0.000 0.999 444 Q CA 0.206 56.104 55.803 0.159 0.000 0.886 444 Q CB 0.844 29.644 28.738 0.103 0.000 1.243 444 Q HN 0.064 nan 8.270 nan 0.000 0.415 445 R N 1.548 122.129 120.500 0.135 0.000 2.799 445 R HA 0.364 4.811 4.340 0.178 0.000 0.270 445 R C -0.730 175.629 176.300 0.099 0.000 1.010 445 R CA -0.663 55.508 56.100 0.119 0.000 0.916 445 R CB 1.200 31.569 30.300 0.116 0.000 1.228 445 R HN 0.725 nan 8.270 nan 0.000 0.469 446 D N -0.350 120.101 120.400 0.084 0.000 3.635 446 D HA -0.123 4.624 4.640 0.178 0.000 0.258 446 D C 0.303 176.647 176.300 0.073 0.000 1.899 446 D CA 1.923 55.965 54.000 0.069 0.000 1.163 446 D CB -1.000 39.837 40.800 0.063 0.000 0.848 446 D HN 0.888 nan 8.370 nan 0.000 1.044 447 G N -1.595 107.245 108.800 0.067 0.000 2.663 447 G HA2 0.031 4.098 3.960 0.178 0.000 0.686 447 G HA3 0.031 4.098 3.960 0.178 0.000 0.686 447 G C -0.146 174.798 174.900 0.073 0.000 1.246 447 G CA -0.108 45.037 45.100 0.074 0.000 0.795 447 G HN 0.596 nan 8.290 nan 0.000 0.627 448 M N 0.727 120.377 119.600 0.082 0.000 2.246 448 M HA 0.160 4.747 4.480 0.178 0.000 0.327 448 M C 1.246 177.633 176.300 0.145 0.000 1.090 448 M CA 1.253 56.611 55.300 0.097 0.000 1.087 448 M CB 0.001 32.663 32.600 0.103 0.000 1.587 448 M HN 1.082 nan 8.290 nan 0.000 0.444 449 H N 0.338 119.421 119.070 0.022 0.000 2.604 449 H HA -0.160 4.501 4.556 0.175 0.000 0.321 449 H C -0.459 174.868 175.328 -0.003 0.000 1.132 449 H CA 0.168 56.224 56.048 0.013 0.000 1.129 449 H CB -0.649 29.124 29.762 0.018 0.000 1.526 449 H HN 0.409 nan 8.280 nan 0.000 0.415 450 R N 1.630 122.147 120.500 0.027 0.000 2.288 450 R HA 0.074 4.521 4.340 0.178 0.000 0.330 450 R C 0.924 177.219 176.300 -0.008 0.000 1.069 450 R CA -0.093 56.020 56.100 0.023 0.000 0.941 450 R CB 0.216 30.531 30.300 0.025 0.000 0.998 450 R HN 0.372 nan 8.270 nan 0.000 0.452 451 M N 2.430 122.043 119.600 0.021 0.000 2.276 451 M HA 0.198 4.785 4.480 0.178 0.000 0.262 451 M C 1.017 177.315 176.300 -0.005 0.000 1.098 451 M CA 1.079 56.385 55.300 0.010 0.000 1.167 451 M CB -1.030 31.592 32.600 0.036 0.000 1.337 451 M HN 0.673 nan 8.290 nan 0.000 0.446 452 G N 1.922 110.725 108.800 0.004 0.000 2.340 452 G HA2 0.348 4.415 3.960 0.178 0.000 0.245 452 G HA3 0.348 4.415 3.960 0.178 0.000 0.245 452 G C -0.365 174.528 174.900 -0.012 0.000 1.294 452 G CA -0.329 44.762 45.100 -0.016 0.000 0.896 452 G HN 0.349 nan 8.290 nan 0.000 0.522 453 I N 2.950 123.505 120.570 -0.024 0.000 2.347 453 I HA 0.104 4.381 4.170 0.178 0.000 0.283 453 I C -0.144 175.962 176.117 -0.017 0.000 1.058 453 I CA -0.556 60.736 61.300 -0.015 0.000 1.202 453 I CB 0.868 38.858 38.000 -0.016 0.000 1.386 453 I HN 0.373 nan 8.210 nan 0.000 0.475 454 D N 4.453 124.850 120.400 -0.005 0.000 2.389 454 D HA 0.077 4.824 4.640 0.178 0.000 0.247 454 D C 1.061 177.367 176.300 0.009 0.000 1.128 454 D CA 0.413 54.412 54.000 -0.001 0.000 0.884 454 D CB 1.749 42.560 40.800 0.019 0.000 1.194 454 D HN 0.568 nan 8.370 nan 0.000 0.441 455 T N -1.424 113.133 114.554 0.005 0.000 3.003 455 T HA -0.027 4.430 4.350 0.178 0.000 0.261 455 T C 0.755 175.468 174.700 0.022 0.000 1.003 455 T CA -0.567 61.539 62.100 0.011 0.000 0.917 455 T CB 0.250 69.117 68.868 -0.002 0.000 1.084 455 T HN 0.138 nan 8.240 nan 0.000 0.522 456 N N 3.469 122.185 118.700 0.026 0.000 2.357 456 N HA 0.089 4.936 4.740 0.178 0.000 0.257 456 N C -1.720 173.833 175.510 0.072 0.000 1.250 456 N CA -1.284 51.794 53.050 0.047 0.000 0.862 456 N CB 1.459 39.975 38.487 0.048 0.000 1.066 456 N HN 0.062 nan 8.380 nan 0.000 0.468 457 P HA 0.017 nan 4.420 nan 0.000 0.222 457 P C -0.665 176.703 177.300 0.113 0.000 1.147 457 P CA 0.834 63.984 63.100 0.083 0.000 0.790 457 P CB 0.282 32.025 31.700 0.071 0.000 0.780 458 A N 0.607 123.487 122.820 0.101 0.000 2.337 458 A HA 0.441 4.868 4.320 0.178 0.000 0.329 458 A C 0.394 178.109 177.584 0.219 0.000 1.146 458 A CA -0.713 51.354 52.037 0.050 0.000 0.800 458 A CB 0.335 19.161 19.000 -0.290 0.000 1.220 458 A HN 0.221 nan 8.150 nan 0.000 0.472 459 N N 0.190 119.075 118.700 0.307 0.000 2.282 459 N HA 0.322 5.169 4.740 0.178 0.000 0.240 459 N C -0.709 175.018 175.510 0.361 0.000 1.182 459 N CA -0.296 53.000 53.050 0.409 0.000 0.874 459 N CB 0.273 38.934 38.487 0.290 0.000 1.126 459 N HN 0.703 nan 8.380 nan 0.000 0.516 460 Y N -0.773 119.471 120.300 -0.093 0.000 2.597 460 Y HA 0.676 5.333 4.550 0.178 0.000 0.340 460 Y C -1.474 173.877 175.900 -0.915 0.000 1.097 460 Y CA -1.393 56.433 58.100 -0.456 0.000 1.037 460 Y CB 1.146 39.487 38.460 -0.199 0.000 1.305 460 Y HN 0.054 nan 8.280 nan 0.000 0.463 461 E N 1.210 120.944 120.200 -0.776 0.000 2.331 461 E HA 0.633 5.090 4.350 0.178 0.000 0.275 461 E C -3.218 173.269 176.600 -0.187 0.000 0.895 461 E CA -1.897 54.134 56.400 -0.613 0.000 0.753 461 E CB 1.992 31.258 29.700 -0.723 0.000 1.216 461 E HN 0.600 nan 8.360 nan 0.000 0.434 462 P HA 0.356 nan 4.420 nan 0.000 0.281 462 P C -1.308 175.941 177.300 -0.086 0.000 1.249 462 P CA -0.565 62.459 63.100 -0.127 0.000 0.810 462 P CB 0.797 32.459 31.700 -0.064 0.000 1.008 463 N N -1.569 117.006 118.700 -0.208 0.000 2.284 463 N HA 0.354 5.201 4.740 0.178 0.000 0.289 463 N C 0.259 175.721 175.510 -0.079 0.000 1.179 463 N CA -0.743 52.189 53.050 -0.198 0.000 0.774 463 N CB 1.452 39.524 38.487 -0.692 0.000 1.548 463 N HN 0.202 nan 8.380 nan 0.000 0.473 464 S N 0.336 116.038 115.700 0.004 0.000 2.506 464 S HA 0.016 4.593 4.470 0.178 0.000 0.219 464 S C 1.532 176.149 174.600 0.028 0.000 1.031 464 S CA -0.012 58.195 58.200 0.012 0.000 0.911 464 S CB -0.801 62.419 63.200 0.032 0.000 0.812 464 S HN 0.705 nan 8.310 nan 0.000 0.497 465 I N -0.710 119.884 120.570 0.039 0.000 2.830 465 I HA 0.241 4.518 4.170 0.178 0.000 0.263 465 I C 1.219 177.370 176.117 0.057 0.000 1.230 465 I CA 1.168 62.502 61.300 0.056 0.000 1.480 465 I CB -0.370 37.682 38.000 0.087 0.000 1.095 465 I HN 0.186 nan 8.210 nan 0.000 0.455 466 N N 0.928 119.661 118.700 0.055 0.000 2.377 466 N HA 0.047 4.894 4.740 0.178 0.000 0.259 466 N C -0.230 175.406 175.510 0.210 0.000 1.332 466 N CA -0.052 53.072 53.050 0.124 0.000 0.877 466 N CB 0.116 38.686 38.487 0.139 0.000 1.299 466 N HN 0.159 nan 8.380 nan 0.000 0.501 467 D N 0.922 121.390 120.400 0.114 0.000 2.751 467 D HA -0.253 4.494 4.640 0.178 0.000 0.233 467 D C -0.112 176.087 176.300 -0.168 0.000 1.149 467 D CA 0.961 54.995 54.000 0.057 0.000 0.682 467 D CB -1.278 39.654 40.800 0.220 0.000 1.068 467 D HN 0.521 nan 8.370 nan 0.000 0.429 468 N N -1.481 117.146 118.700 -0.122 0.000 2.741 468 N HA -0.252 4.594 4.740 0.178 0.000 0.251 468 N C -0.782 174.633 175.510 -0.157 0.000 1.112 468 N CA 1.470 54.414 53.050 -0.176 0.000 0.750 468 N CB -1.204 37.136 38.487 -0.245 0.000 1.119 468 N HN 0.520 nan 8.380 nan 0.000 0.561 469 W N 0.542 121.891 121.300 0.081 0.000 2.375 469 W HA 0.474 5.240 4.660 0.178 0.000 0.336 469 W C -1.646 174.918 176.519 0.076 0.000 1.160 469 W CA -1.752 55.629 57.345 0.061 0.000 1.266 469 W CB 0.413 29.859 29.460 -0.023 0.000 1.195 469 W HN -0.045 nan 8.180 nan 0.000 0.599 470 P HA 0.094 nan 4.420 nan 0.000 0.268 470 P C -0.543 176.905 177.300 0.247 0.000 1.205 470 P CA 0.097 63.351 63.100 0.256 0.000 0.771 470 P CB 0.724 32.435 31.700 0.018 0.000 0.858 471 R N 1.376 121.993 120.500 0.195 0.000 2.536 471 R HA 0.301 4.747 4.340 0.178 0.000 0.279 471 R C 0.486 176.811 176.300 0.043 0.000 1.001 471 R CA -0.814 55.257 56.100 -0.047 0.000 1.027 471 R CB 0.930 30.964 30.300 -0.443 0.000 1.096 471 R HN 0.499 nan 8.270 nan 0.000 0.502 472 E N 0.564 120.773 120.200 0.015 0.000 2.418 472 E HA 0.021 4.478 4.350 0.178 0.000 0.261 472 E C -0.609 176.009 176.600 0.030 0.000 1.070 472 E CA 0.729 57.152 56.400 0.038 0.000 0.931 472 E CB 0.739 30.449 29.700 0.016 0.000 0.954 472 E HN 0.360 nan 8.360 nan 0.000 0.439 473 T N 3.626 118.210 114.554 0.050 0.000 2.879 473 T HA 0.335 4.792 4.350 0.178 0.000 0.290 473 T C -2.486 172.237 174.700 0.038 0.000 0.993 473 T CA -1.462 60.666 62.100 0.046 0.000 0.975 473 T CB 1.575 70.482 68.868 0.065 0.000 0.981 473 T HN 0.241 nan 8.240 nan 0.000 0.439 474 P HA 0.255 nan 4.420 nan 0.000 0.269 474 P C -2.487 174.819 177.300 0.010 0.000 1.209 474 P CA -1.171 61.937 63.100 0.013 0.000 0.776 474 P CB -0.334 31.369 31.700 0.005 0.000 0.876 475 P HA 0.306 nan 4.420 nan 0.000 0.269 475 P C 0.029 177.316 177.300 -0.021 0.000 1.215 475 P CA 0.350 63.436 63.100 -0.024 0.000 0.780 475 P CB 0.565 32.234 31.700 -0.051 0.000 0.898 476 G N 0.693 109.477 108.800 -0.027 0.000 2.495 476 G HA2 0.374 4.441 3.960 0.178 0.000 0.294 476 G HA3 0.374 4.441 3.960 0.178 0.000 0.294 476 G C -2.630 172.254 174.900 -0.026 0.000 1.397 476 G CA -0.792 44.296 45.100 -0.021 0.000 0.790 476 G HN 0.087 nan 8.290 nan 0.000 0.486 477 P HA 0.046 nan 4.420 nan 0.000 0.218 477 P C 0.175 177.464 177.300 -0.019 0.000 1.148 477 P CA 1.297 64.382 63.100 -0.024 0.000 0.822 477 P CB 0.102 31.791 31.700 -0.018 0.000 0.784 478 K N -2.107 118.289 120.400 -0.006 0.000 2.525 478 K HA 0.403 4.830 4.320 0.178 0.000 0.254 478 K C -0.476 176.134 176.600 0.017 0.000 0.934 478 K CA -0.899 55.391 56.287 0.005 0.000 0.802 478 K CB 1.891 34.396 32.500 0.008 0.000 1.295 478 K HN -0.350 nan 8.250 nan 0.000 0.433 479 R N -0.273 120.244 120.500 0.028 0.000 3.641 479 R HA -0.133 4.313 4.340 0.178 0.000 0.286 479 R C 0.108 176.431 176.300 0.039 0.000 1.153 479 R CA 1.185 57.309 56.100 0.040 0.000 0.775 479 R CB -2.246 28.077 30.300 0.040 0.000 1.215 479 R HN 1.053 nan 8.270 nan 0.000 0.474 480 G N -1.039 107.778 108.800 0.029 0.000 2.552 480 G HA2 0.659 4.726 3.960 0.178 0.000 0.318 480 G HA3 0.659 4.726 3.960 0.178 0.000 0.318 480 G C 0.309 175.236 174.900 0.044 0.000 1.240 480 G CA 0.044 45.160 45.100 0.027 0.000 1.002 480 G HN 0.254 nan 8.290 nan 0.000 0.493 481 G N -1.557 107.272 108.800 0.049 0.000 2.562 481 G HA2 0.437 4.504 3.960 0.178 0.000 0.275 481 G HA3 0.437 4.504 3.960 0.178 0.000 0.275 481 G C -0.848 174.109 174.900 0.095 0.000 1.196 481 G CA -0.650 44.504 45.100 0.089 0.000 0.908 481 G HN 0.433 nan 8.290 nan 0.000 0.524 482 F N 0.245 120.202 119.950 0.013 0.000 2.467 482 F HA 0.357 4.991 4.527 0.179 0.000 0.362 482 F C 0.597 176.405 175.800 0.015 0.000 1.090 482 F CA -0.108 57.895 58.000 0.006 0.000 1.202 482 F CB 0.834 39.838 39.000 0.007 0.000 1.113 482 F HN 0.418 nan 8.300 nan 0.000 0.541 483 E N 4.330 124.271 120.200 -0.432 0.000 2.224 483 E HA 0.308 4.765 4.350 0.178 0.000 0.265 483 E C -1.082 175.300 176.600 -0.365 0.000 0.878 483 E CA -0.748 55.531 56.400 -0.201 0.000 0.759 483 E CB 1.426 31.048 29.700 -0.130 0.000 1.164 483 E HN 0.615 nan 8.360 nan 0.000 0.414 484 S N 2.551 118.236 115.700 -0.025 0.000 2.585 484 S HA 0.022 4.599 4.470 0.178 0.000 0.273 484 S C -0.562 174.055 174.600 0.027 0.000 1.339 484 S CA -0.406 57.836 58.200 0.069 0.000 1.028 484 S CB 0.205 63.547 63.200 0.237 0.000 0.906 484 S HN 0.487 nan 8.310 nan 0.000 0.528 485 Y N 2.167 122.420 120.300 -0.078 0.000 2.511 485 Y HA 0.010 4.666 4.550 0.178 0.000 0.332 485 Y C 1.007 176.891 175.900 -0.027 0.000 1.177 485 Y CA -0.022 58.031 58.100 -0.079 0.000 1.422 485 Y CB 0.193 38.601 38.460 -0.087 0.000 1.271 485 Y HN 0.606 nan 8.280 nan 0.000 0.550 486 Q N 4.751 124.223 119.800 -0.547 0.000 2.600 486 Q HA -0.037 4.410 4.340 0.178 0.000 0.276 486 Q C -0.028 175.669 176.000 -0.505 0.000 1.006 486 Q CA 0.065 55.615 55.803 -0.422 0.000 0.942 486 Q CB -0.345 28.221 28.738 -0.286 0.000 1.383 486 Q HN 0.682 nan 8.270 nan 0.000 0.414 487 E N 1.559 121.474 120.200 -0.476 0.000 2.481 487 E HA -0.097 4.360 4.350 0.178 0.000 0.263 487 E C 0.027 176.571 176.600 -0.093 0.000 0.992 487 E CA -0.210 56.062 56.400 -0.212 0.000 0.938 487 E CB 0.597 30.325 29.700 0.046 0.000 0.933 487 E HN 0.144 nan 8.360 nan 0.000 0.453 488 R N 2.771 123.245 120.500 -0.042 0.000 2.438 488 R HA 0.240 4.686 4.340 0.178 0.000 0.287 488 R C -1.568 174.747 176.300 0.026 0.000 1.077 488 R CA -0.307 55.787 56.100 -0.010 0.000 1.034 488 R CB 0.987 31.290 30.300 0.006 0.000 0.993 488 R HN 0.231 nan 8.270 nan 0.000 0.459 489 V N 4.310 124.234 119.914 0.017 0.000 2.487 489 V HA 0.461 4.688 4.120 0.178 0.000 0.298 489 V C -0.500 175.605 176.094 0.019 0.000 1.028 489 V CA -0.627 61.688 62.300 0.026 0.000 0.860 489 V CB 1.466 33.301 31.823 0.021 0.000 0.991 489 V HN 0.890 nan 8.190 nan 0.000 0.427 490 E N 2.483 122.697 120.200 0.023 0.000 2.334 490 E HA 0.635 5.092 4.350 0.178 0.000 0.280 490 E C -0.278 176.328 176.600 0.011 0.000 0.899 490 E CA -0.086 56.323 56.400 0.014 0.000 0.813 490 E CB 1.970 31.679 29.700 0.015 0.000 1.318 490 E HN 1.027 nan 8.360 nan 0.000 0.399 491 G N 2.681 111.484 108.800 0.003 0.000 2.327 491 G HA2 0.055 4.122 3.960 0.178 0.000 0.291 491 G HA3 0.055 4.122 3.960 0.178 0.000 0.291 491 G C -1.413 173.484 174.900 -0.006 0.000 1.290 491 G CA -0.929 44.170 45.100 -0.002 0.000 0.857 491 G HN 0.365 nan 8.290 nan 0.000 0.520 492 N N -0.010 118.684 118.700 -0.010 0.000 2.476 492 N HA 0.443 5.290 4.740 0.178 0.000 0.276 492 N C -0.316 175.185 175.510 -0.015 0.000 1.204 492 N CA -0.347 52.696 53.050 -0.012 0.000 0.974 492 N CB 0.939 39.417 38.487 -0.015 0.000 1.204 492 N HN 0.458 nan 8.380 nan 0.000 0.543 493 K N 0.882 121.272 120.400 -0.016 0.000 2.262 493 K HA 0.281 4.708 4.320 0.178 0.000 0.288 493 K C -0.623 175.962 176.600 -0.025 0.000 1.090 493 K CA -0.372 55.904 56.287 -0.019 0.000 0.918 493 K CB 0.078 32.569 32.500 -0.016 0.000 1.139 493 K HN 0.337 nan 8.250 nan 0.000 0.462 494 V N 0.076 119.971 119.914 -0.032 0.000 2.789 494 V HA 0.460 4.687 4.120 0.178 0.000 0.311 494 V C -0.355 175.707 176.094 -0.054 0.000 1.073 494 V CA -1.327 60.949 62.300 -0.040 0.000 0.921 494 V CB 1.933 33.733 31.823 -0.040 0.000 1.009 494 V HN 0.614 nan 8.190 nan 0.000 0.426 495 R N 2.605 123.068 120.500 -0.062 0.000 2.870 495 R HA 0.488 4.935 4.340 0.178 0.000 0.254 495 R C -0.292 175.956 176.300 -0.087 0.000 1.392 495 R CA -0.037 56.011 56.100 -0.085 0.000 1.322 495 R CB 0.422 30.661 30.300 -0.102 0.000 1.205 495 R HN 0.901 nan 8.270 nan 0.000 0.597 496 E N 1.593 121.740 120.200 -0.088 0.000 2.314 496 E HA 0.266 4.723 4.350 0.178 0.000 0.272 496 E C -1.168 175.361 176.600 -0.118 0.000 0.884 496 E CA -1.114 55.233 56.400 -0.087 0.000 0.753 496 E CB 1.842 31.503 29.700 -0.066 0.000 1.213 496 E HN 0.099 nan 8.360 nan 0.000 0.432 497 R N 1.487 121.919 120.500 -0.113 0.000 2.357 497 R HA 0.238 4.685 4.340 0.178 0.000 0.296 497 R C -0.623 175.577 176.300 -0.167 0.000 1.052 497 R CA -0.026 55.973 56.100 -0.167 0.000 0.988 497 R CB 1.295 31.541 30.300 -0.090 0.000 1.025 497 R HN 0.346 nan 8.270 nan 0.000 0.469 498 S N 4.999 120.509 115.700 -0.316 0.000 2.537 498 S HA 0.105 4.682 4.470 0.178 0.000 0.286 498 S C -1.566 173.036 174.600 0.003 0.000 1.299 498 S CA -1.237 56.868 58.200 -0.157 0.000 1.067 498 S CB 0.705 63.803 63.200 -0.171 0.000 0.864 498 S HN 0.553 nan 8.310 nan 0.000 0.494 499 P HA -0.112 nan 4.420 nan 0.000 0.218 499 P C 1.515 178.869 177.300 0.090 0.000 1.148 499 P CA 1.167 64.296 63.100 0.048 0.000 0.822 499 P CB -0.114 31.602 31.700 0.026 0.000 0.784 500 S N -2.125 113.663 115.700 0.147 0.000 2.500 500 S HA -0.105 4.472 4.470 0.178 0.000 0.239 500 S C 1.463 176.192 174.600 0.216 0.000 0.989 500 S CA 0.791 59.095 58.200 0.173 0.000 0.951 500 S CB -1.398 61.928 63.200 0.211 0.000 0.759 500 S HN -0.034 nan 8.310 nan 0.000 0.523 501 F N 2.156 122.095 119.950 -0.017 0.000 2.789 501 F HA 0.388 5.022 4.527 0.178 0.000 0.300 501 F C 2.002 177.741 175.800 -0.102 0.000 1.132 501 F CA -0.696 57.290 58.000 -0.024 0.000 1.404 501 F CB -0.530 38.484 39.000 0.023 0.000 1.114 501 F HN 0.351 nan 8.300 nan 0.000 0.584 502 G N 0.542 109.349 108.800 0.011 0.000 3.392 502 G HA2 0.072 4.139 3.960 0.178 0.000 0.247 502 G HA3 0.072 4.139 3.960 0.178 0.000 0.247 502 G C -0.032 174.491 174.900 -0.629 0.000 1.161 502 G CA 0.193 45.144 45.100 -0.249 0.000 1.739 502 G HN 0.061 nan 8.290 nan 0.000 0.619 503 E N 0.003 119.721 120.200 -0.804 0.000 2.278 503 E HA 0.317 4.774 4.350 0.178 0.000 0.272 503 E C -0.944 175.206 176.600 -0.749 0.000 0.890 503 E CA -0.783 55.201 56.400 -0.694 0.000 0.770 503 E CB 1.465 31.002 29.700 -0.273 0.000 1.212 503 E HN 0.196 nan 8.360 nan 0.000 0.415 504 Y N 2.589 122.662 120.300 -0.378 0.000 2.425 504 Y HA 0.190 4.847 4.550 0.178 0.000 0.261 504 Y C 0.840 176.450 175.900 -0.485 0.000 1.084 504 Y CA -0.111 57.685 58.100 -0.506 0.000 1.248 504 Y CB 0.323 38.349 38.460 -0.724 0.000 1.270 504 Y HN 0.402 nan 8.280 nan 0.000 0.524 505 Y N -0.894 119.502 120.300 0.160 0.000 2.481 505 Y HA 0.096 4.753 4.550 0.178 0.000 0.258 505 Y C 2.429 178.395 175.900 0.110 0.000 1.103 505 Y CA 0.184 58.370 58.100 0.143 0.000 1.287 505 Y CB -0.318 38.231 38.460 0.148 0.000 1.108 505 Y HN 0.093 nan 8.280 nan 0.000 0.529 506 S N -0.728 115.094 115.700 0.203 0.000 2.387 506 S HA -0.192 4.385 4.470 0.178 0.000 0.226 506 S C 1.523 176.194 174.600 0.118 0.000 1.026 506 S CA 1.414 59.717 58.200 0.173 0.000 0.972 506 S CB -0.544 62.758 63.200 0.171 0.000 0.814 506 S HN 0.430 nan 8.310 nan 0.000 0.477 507 H N 2.911 121.896 119.070 -0.141 0.000 2.357 507 H HA 0.154 4.817 4.556 0.178 0.000 0.301 507 H C -0.684 174.466 175.328 -0.297 0.000 1.082 507 H CA 1.632 57.445 56.048 -0.392 0.000 1.342 507 H CB -1.631 27.679 29.762 -0.754 0.000 1.389 507 H HN 0.401 nan 8.280 nan 0.000 0.511 508 P HA -0.156 nan 4.420 nan 0.000 0.216 508 P C 1.433 178.941 177.300 0.346 0.000 1.150 508 P CA 1.622 64.910 63.100 0.313 0.000 0.837 508 P CB 0.079 31.973 31.700 0.323 0.000 0.786 509 R N -0.587 120.053 120.500 0.234 0.000 2.090 509 R HA -0.079 4.368 4.340 0.178 0.000 0.228 509 R C 2.098 178.521 176.300 0.206 0.000 1.110 509 R CA 0.855 57.090 56.100 0.225 0.000 0.973 509 R CB -0.853 29.542 30.300 0.159 0.000 0.869 509 R HN 0.090 nan 8.270 nan 0.000 0.440 510 L N 0.292 121.582 121.223 0.112 0.000 2.056 510 L HA -0.069 4.378 4.340 0.178 0.000 0.207 510 L C 1.879 178.803 176.870 0.091 0.000 1.078 510 L CA 1.563 56.429 54.840 0.043 0.000 0.749 510 L CB -0.614 41.392 42.059 -0.089 0.000 0.901 510 L HN 0.169 nan 8.230 nan 0.000 0.433 511 F N -0.593 119.395 119.950 0.063 0.000 2.046 511 F HA -0.306 4.328 4.527 0.178 0.000 0.297 511 F C 2.364 178.173 175.800 0.016 0.000 1.123 511 F CA 2.317 60.335 58.000 0.030 0.000 1.199 511 F CB -0.671 38.397 39.000 0.113 0.000 0.972 511 F HN 0.373 nan 8.300 nan 0.000 0.474 512 W N 1.532 122.767 121.300 -0.108 0.000 2.321 512 W HA -0.253 4.514 4.660 0.178 0.000 0.306 512 W C 1.765 178.141 176.519 -0.237 0.000 1.217 512 W CA 1.833 59.063 57.345 -0.193 0.000 1.257 512 W CB -0.777 28.693 29.460 0.017 0.000 1.145 512 W HN 0.152 nan 8.180 nan 0.000 0.509 513 L N 1.105 122.216 121.223 -0.187 0.000 2.217 513 L HA -0.163 4.284 4.340 0.178 0.000 0.211 513 L C 2.389 179.058 176.870 -0.335 0.000 1.107 513 L CA 1.351 56.033 54.840 -0.263 0.000 0.783 513 L CB -0.758 41.280 42.059 -0.036 0.000 0.919 513 L HN -0.166 nan 8.230 nan 0.000 0.442 514 S N -1.432 114.062 115.700 -0.343 0.000 2.593 514 S HA 0.060 4.637 4.470 0.178 0.000 0.217 514 S C 0.623 174.947 174.600 -0.461 0.000 0.966 514 S CA 0.049 58.051 58.200 -0.329 0.000 0.914 514 S CB -0.013 63.041 63.200 -0.244 0.000 0.776 514 S HN 0.283 nan 8.310 nan 0.000 0.523 515 Q N 2.453 121.871 119.800 -0.637 0.000 2.259 515 Q HA 0.279 4.726 4.340 0.178 0.000 0.249 515 Q C 0.649 176.261 176.000 -0.646 0.000 0.914 515 Q CA -0.127 55.267 55.803 -0.682 0.000 0.904 515 Q CB 0.684 28.941 28.738 -0.801 0.000 1.213 515 Q HN 0.445 nan 8.270 nan 0.000 0.428 516 T N -1.137 113.006 114.554 -0.686 0.000 2.680 516 T HA 0.103 4.560 4.350 0.178 0.000 0.314 516 T C -1.724 172.502 174.700 -0.791 0.000 1.045 516 T CA -1.089 60.540 62.100 -0.785 0.000 1.025 516 T CB 0.149 68.233 68.868 -1.308 0.000 1.000 516 T HN 0.259 nan 8.240 nan 0.000 0.535 517 P HA 0.033 nan 4.420 nan 0.000 0.217 517 P C 1.471 178.533 177.300 -0.396 0.000 1.151 517 P CA 0.887 63.732 63.100 -0.426 0.000 0.828 517 P CB -0.266 31.298 31.700 -0.226 0.000 0.788 518 F N 0.147 119.890 119.950 -0.345 0.000 2.234 518 F HA 0.026 4.659 4.527 0.178 0.000 0.299 518 F C 1.840 177.269 175.800 -0.618 0.000 1.087 518 F CA 0.880 58.603 58.000 -0.463 0.000 1.340 518 F CB -1.635 37.092 39.000 -0.456 0.000 1.031 518 F HN -0.112 nan 8.300 nan 0.000 0.500 519 E N 0.578 120.311 120.200 -0.779 0.000 2.077 519 E HA -0.210 4.247 4.350 0.178 0.000 0.193 519 E C 2.229 178.662 176.600 -0.278 0.000 0.989 519 E CA 1.443 57.594 56.400 -0.416 0.000 0.800 519 E CB -0.281 29.125 29.700 -0.490 0.000 0.746 519 E HN 0.626 nan 8.360 nan 0.000 0.452 520 Q N 0.229 119.776 119.800 -0.423 0.000 2.124 520 Q HA -0.199 4.248 4.340 0.178 0.000 0.202 520 Q C 2.232 178.250 176.000 0.030 0.000 0.977 520 Q CA 1.315 56.904 55.803 -0.356 0.000 0.850 520 Q CB -0.129 28.127 28.738 -0.803 0.000 0.901 520 Q HN 0.017 nan 8.270 nan 0.000 0.429 521 R N 0.359 120.844 120.500 -0.025 0.000 2.081 521 R HA -0.150 4.296 4.340 0.178 0.000 0.235 521 R C 1.595 178.042 176.300 0.245 0.000 1.131 521 R CA 1.883 58.044 56.100 0.103 0.000 0.960 521 R CB -0.449 29.871 30.300 0.033 0.000 0.856 521 R HN 0.452 nan 8.270 nan 0.000 0.436 522 H N -0.574 118.594 119.070 0.164 0.000 2.353 522 H HA -0.032 4.631 4.556 0.178 0.000 0.300 522 H C 2.051 177.506 175.328 0.212 0.000 1.090 522 H CA 1.380 57.542 56.048 0.189 0.000 1.327 522 H CB -0.028 29.852 29.762 0.197 0.000 1.383 522 H HN 0.168 nan 8.280 nan 0.000 0.508 523 I N 0.201 120.996 120.570 0.376 0.000 2.179 523 I HA -0.269 4.008 4.170 0.178 0.000 0.242 523 I C 2.310 178.722 176.117 0.493 0.000 1.088 523 I CA 0.822 62.381 61.300 0.432 0.000 1.357 523 I CB -0.175 38.156 38.000 0.551 0.000 1.051 523 I HN 0.093 nan 8.210 nan 0.000 0.409 524 V N 0.971 121.151 119.914 0.443 0.000 2.287 524 V HA -0.322 3.905 4.120 0.178 0.000 0.248 524 V C 2.036 178.313 176.094 0.304 0.000 1.053 524 V CA 2.196 64.707 62.300 0.351 0.000 1.027 524 V CB -0.676 31.306 31.823 0.265 0.000 0.646 524 V HN 0.423 nan 8.190 nan 0.000 0.447 525 D N 0.363 120.925 120.400 0.271 0.000 2.178 525 D HA -0.080 4.667 4.640 0.178 0.000 0.202 525 D C 2.166 178.567 176.300 0.169 0.000 0.974 525 D CA 1.427 55.560 54.000 0.221 0.000 0.841 525 D CB -0.635 40.302 40.800 0.228 0.000 0.953 525 D HN 0.472 nan 8.370 nan 0.000 0.478 526 G N 0.253 109.135 108.800 0.136 0.000 2.459 526 G HA2 -0.269 3.798 3.960 0.178 0.000 0.217 526 G HA3 -0.269 3.798 3.960 0.178 0.000 0.217 526 G C 1.447 176.354 174.900 0.011 0.000 1.183 526 G CA 0.261 45.346 45.100 -0.026 0.000 0.776 526 G HN 0.172 nan 8.290 nan 0.000 0.552 527 F N 1.775 121.772 119.950 0.078 0.000 2.126 527 F HA -0.086 4.548 4.527 0.179 0.000 0.299 527 F C 3.153 178.885 175.800 -0.114 0.000 1.096 527 F CA 1.633 59.617 58.000 -0.025 0.000 1.255 527 F CB -0.251 38.742 39.000 -0.012 0.000 0.997 527 F HN 0.093 nan 8.300 nan 0.000 0.479 528 S N -0.317 115.486 115.700 0.172 0.000 2.368 528 S HA -0.186 4.391 4.470 0.178 0.000 0.224 528 S C 1.866 176.494 174.600 0.046 0.000 1.029 528 S CA 1.093 59.343 58.200 0.082 0.000 0.988 528 S CB -0.737 62.533 63.200 0.116 0.000 0.838 528 S HN 0.406 nan 8.310 nan 0.000 0.462 529 F N 2.619 122.539 119.950 -0.050 0.000 2.113 529 F HA -0.093 4.541 4.527 0.178 0.000 0.297 529 F C 2.351 178.093 175.800 -0.098 0.000 1.103 529 F CA 1.439 59.400 58.000 -0.065 0.000 1.248 529 F CB -0.215 38.698 39.000 -0.145 0.000 0.999 529 F HN 0.124 nan 8.300 nan 0.000 0.475 530 E N 0.176 120.350 120.200 -0.042 0.000 2.051 530 E HA -0.193 4.264 4.350 0.178 0.000 0.192 530 E C 2.163 178.563 176.600 -0.333 0.000 0.991 530 E CA 1.117 57.442 56.400 -0.125 0.000 0.799 530 E CB -0.479 29.282 29.700 0.102 0.000 0.748 530 E HN 0.321 nan 8.360 nan 0.000 0.449 531 L N 1.252 122.205 121.223 -0.451 0.000 2.191 531 L HA -0.108 4.339 4.340 0.178 0.000 0.212 531 L C 2.319 179.025 176.870 -0.273 0.000 1.103 531 L CA 1.320 55.881 54.840 -0.465 0.000 0.769 531 L CB -0.937 40.881 42.059 -0.402 0.000 0.908 531 L HN -0.031 nan 8.230 nan 0.000 0.438 532 S N -0.711 114.843 115.700 -0.243 0.000 2.419 532 S HA -0.117 4.460 4.470 0.178 0.000 0.233 532 S C 1.671 176.156 174.600 -0.192 0.000 1.016 532 S CA 0.904 58.986 58.200 -0.197 0.000 0.974 532 S CB -0.072 63.002 63.200 -0.209 0.000 0.786 532 S HN 0.381 nan 8.310 nan 0.000 0.492 533 K N 1.258 121.519 120.400 -0.231 0.000 2.444 533 K HA 0.192 4.619 4.320 0.178 0.000 0.193 533 K C -0.048 176.539 176.600 -0.022 0.000 1.024 533 K CA 0.090 56.303 56.287 -0.123 0.000 1.077 533 K CB -0.054 32.372 32.500 -0.124 0.000 0.833 533 K HN 0.203 nan 8.250 nan 0.000 0.517 534 V N 2.322 122.200 119.914 -0.060 0.000 2.427 534 V HA -0.016 4.211 4.120 0.178 0.000 0.268 534 V C 1.803 177.879 176.094 -0.029 0.000 1.046 534 V CA -0.063 62.229 62.300 -0.015 0.000 0.970 534 V CB 1.185 32.966 31.823 -0.070 0.000 1.001 534 V HN -0.101 nan 8.190 nan 0.000 0.476 535 V N 5.140 125.060 119.914 0.010 0.000 2.515 535 V HA -0.089 4.138 4.120 0.178 0.000 0.250 535 V C 1.301 177.374 176.094 -0.035 0.000 1.058 535 V CA 1.449 63.750 62.300 0.002 0.000 1.064 535 V CB -0.549 31.294 31.823 0.032 0.000 0.675 535 V HN 0.762 nan 8.190 nan 0.000 0.461 536 R N 0.771 121.218 120.500 -0.089 0.000 2.196 536 R HA 0.233 4.680 4.340 0.178 0.000 0.340 536 R C -1.734 174.422 176.300 -0.241 0.000 1.043 536 R CA -1.683 54.322 56.100 -0.159 0.000 0.883 536 R CB 0.827 30.957 30.300 -0.283 0.000 1.078 536 R HN 0.202 nan 8.270 nan 0.000 0.462 537 P HA -0.216 nan 4.420 nan 0.000 0.218 537 P C 0.832 178.100 177.300 -0.053 0.000 1.148 537 P CA 1.249 64.313 63.100 -0.060 0.000 0.822 537 P CB -0.056 31.647 31.700 0.006 0.000 0.784 538 Y N -1.162 119.139 120.300 0.001 0.000 2.403 538 Y HA -0.072 4.585 4.550 0.178 0.000 0.291 538 Y C 1.951 177.856 175.900 0.010 0.000 1.143 538 Y CA 0.645 58.746 58.100 0.002 0.000 1.257 538 Y CB -1.786 36.676 38.460 0.003 0.000 0.984 538 Y HN -0.103 nan 8.280 nan 0.000 0.550 539 I N 0.833 121.055 120.570 -0.580 0.000 2.286 539 I HA -0.197 4.079 4.170 0.178 0.000 0.245 539 I C 2.477 178.521 176.117 -0.122 0.000 1.104 539 I CA 1.141 62.245 61.300 -0.325 0.000 1.397 539 I CB -0.370 37.415 38.000 -0.359 0.000 1.072 539 I HN 0.144 nan 8.210 nan 0.000 0.417 540 R N 1.032 121.445 120.500 -0.146 0.000 2.083 540 R HA -0.204 4.243 4.340 0.178 0.000 0.237 540 R C 2.119 178.374 176.300 -0.076 0.000 1.137 540 R CA 1.629 57.652 56.100 -0.128 0.000 0.951 540 R CB -0.542 29.679 30.300 -0.131 0.000 0.851 540 R HN 0.427 nan 8.270 nan 0.000 0.434 541 E N 0.473 120.649 120.200 -0.039 0.000 2.118 541 E HA -0.179 4.278 4.350 0.178 0.000 0.195 541 E C 2.161 178.770 176.600 0.014 0.000 0.992 541 E CA 1.143 57.541 56.400 -0.005 0.000 0.804 541 E CB -0.021 29.698 29.700 0.032 0.000 0.741 541 E HN 0.276 nan 8.360 nan 0.000 0.458 542 R N 0.075 120.599 120.500 0.040 0.000 2.092 542 R HA -0.082 4.365 4.340 0.178 0.000 0.231 542 R C 2.352 178.677 176.300 0.042 0.000 1.119 542 R CA 0.903 57.036 56.100 0.055 0.000 0.970 542 R CB -0.094 30.260 30.300 0.089 0.000 0.864 542 R HN 0.052 nan 8.270 nan 0.000 0.440 543 V N 0.072 120.011 119.914 0.041 0.000 2.358 543 V HA -0.191 4.036 4.120 0.178 0.000 0.246 543 V C 2.242 178.326 176.094 -0.017 0.000 1.047 543 V CA 1.435 63.776 62.300 0.069 0.000 1.035 543 V CB -0.304 31.588 31.823 0.115 0.000 0.658 543 V HN 0.116 nan 8.190 nan 0.000 0.452 544 V N 0.631 120.508 119.914 -0.061 0.000 2.332 544 V HA -0.325 3.902 4.120 0.178 0.000 0.248 544 V C 2.343 178.398 176.094 -0.065 0.000 1.055 544 V CA 2.528 64.768 62.300 -0.100 0.000 1.038 544 V CB -0.656 31.111 31.823 -0.093 0.000 0.651 544 V HN 0.672 nan 8.190 nan 0.000 0.450 545 D N -0.810 119.581 120.400 -0.015 0.000 2.123 545 D HA -0.209 4.538 4.640 0.178 0.000 0.196 545 D C 2.251 178.597 176.300 0.075 0.000 0.992 545 D CA 1.243 55.260 54.000 0.029 0.000 0.833 545 D CB -0.040 40.788 40.800 0.047 0.000 0.954 545 D HN 0.336 nan 8.370 nan 0.000 0.455 546 Q N -0.318 119.499 119.800 0.027 0.000 2.167 546 Q HA -0.068 4.379 4.340 0.178 0.000 0.202 546 Q C 2.501 178.503 176.000 0.003 0.000 0.970 546 Q CA 0.575 56.386 55.803 0.013 0.000 0.855 546 Q CB -0.153 28.633 28.738 0.080 0.000 0.911 546 Q HN 0.470 nan 8.270 nan 0.000 0.438 547 L N -0.084 121.097 121.223 -0.069 0.000 2.141 547 L HA -0.095 4.352 4.340 0.178 0.000 0.209 547 L C 2.358 179.121 176.870 -0.178 0.000 1.094 547 L CA 0.855 55.587 54.840 -0.179 0.000 0.763 547 L CB -0.614 41.233 42.059 -0.353 0.000 0.908 547 L HN 0.081 nan 8.230 nan 0.000 0.437 548 A N -0.614 122.127 122.820 -0.132 0.000 2.070 548 A HA -0.214 4.213 4.320 0.178 0.000 0.220 548 A C 1.754 179.191 177.584 -0.246 0.000 1.159 548 A CA 1.354 53.288 52.037 -0.172 0.000 0.656 548 A CB -0.720 18.194 19.000 -0.143 0.000 0.800 548 A HN 0.440 nan 8.150 nan 0.000 0.453 549 H N -1.330 117.531 119.070 -0.348 0.000 2.551 549 H HA 0.272 4.935 4.556 0.178 0.000 0.266 549 H C 1.528 176.612 175.328 -0.408 0.000 0.977 549 H CA 0.859 56.582 56.048 -0.542 0.000 1.163 549 H CB 0.063 29.096 29.762 -1.215 0.000 1.381 549 H HN 0.498 nan 8.280 nan 0.000 0.581 550 I N -1.297 119.192 120.570 -0.134 0.000 2.900 550 I HA 0.091 4.368 4.170 0.178 0.000 0.251 550 I C -0.183 175.874 176.117 -0.100 0.000 1.102 550 I CA 0.375 61.661 61.300 -0.022 0.000 1.457 550 I CB 0.769 38.774 38.000 0.008 0.000 1.285 550 I HN 0.100 nan 8.210 nan 0.000 0.459 551 D N -0.544 119.723 120.400 -0.222 0.000 2.878 551 D HA 0.154 4.901 4.640 0.178 0.000 0.211 551 D C 0.190 176.328 176.300 -0.270 0.000 1.271 551 D CA -0.385 53.460 54.000 -0.259 0.000 0.845 551 D CB 1.458 41.966 40.800 -0.486 0.000 1.679 551 D HN -0.071 nan 8.370 nan 0.000 0.536 552 L N 2.807 123.930 121.223 -0.168 0.000 2.093 552 L HA -0.059 4.388 4.340 0.178 0.000 0.208 552 L C 1.308 178.097 176.870 -0.135 0.000 1.085 552 L CA 1.744 56.498 54.840 -0.143 0.000 0.755 552 L CB -0.443 41.560 42.059 -0.093 0.000 0.904 552 L HN 0.598 nan 8.230 nan 0.000 0.435 553 T N 0.576 115.071 114.554 -0.098 0.000 2.821 553 T HA -0.181 4.276 4.350 0.178 0.000 0.267 553 T C 1.777 176.401 174.700 -0.126 0.000 1.046 553 T CA 1.382 63.465 62.100 -0.029 0.000 1.139 553 T CB -0.239 68.709 68.868 0.133 0.000 0.871 553 T HN 0.249 nan 8.240 nan 0.000 0.454 554 L N 1.741 122.712 121.223 -0.420 0.000 2.027 554 L HA 0.165 4.612 4.340 0.178 0.000 0.206 554 L C 2.596 179.238 176.870 -0.380 0.000 1.074 554 L CA 1.907 56.366 54.840 -0.634 0.000 0.745 554 L CB -1.232 40.076 42.059 -1.250 0.000 0.898 554 L HN 0.192 nan 8.230 nan 0.000 0.433 555 A N -0.858 121.764 122.820 -0.329 0.000 1.883 555 A HA -0.270 4.157 4.320 0.178 0.000 0.217 555 A C 2.206 179.695 177.584 -0.159 0.000 1.186 555 A CA 1.975 53.869 52.037 -0.240 0.000 0.624 555 A CB -0.699 18.184 19.000 -0.196 0.000 0.822 555 A HN 0.685 nan 8.150 nan 0.000 0.444 556 Q N -0.837 118.889 119.800 -0.123 0.000 2.061 556 Q HA -0.158 4.289 4.340 0.178 0.000 0.204 556 Q C 2.462 178.434 176.000 -0.047 0.000 0.984 556 Q CA 1.528 57.289 55.803 -0.071 0.000 0.846 556 Q CB -0.386 28.324 28.738 -0.047 0.000 0.902 556 Q HN 0.694 nan 8.270 nan 0.000 0.421 557 A N 0.222 123.019 122.820 -0.038 0.000 1.930 557 A HA -0.107 4.320 4.320 0.178 0.000 0.217 557 A C 2.309 179.892 177.584 -0.002 0.000 1.175 557 A CA 1.178 53.219 52.037 0.007 0.000 0.627 557 A CB -0.493 18.542 19.000 0.058 0.000 0.815 557 A HN 0.199 nan 8.150 nan 0.000 0.443 558 V N -0.202 119.683 119.914 -0.049 0.000 2.323 558 V HA -0.182 4.045 4.120 0.178 0.000 0.244 558 V C 3.063 179.125 176.094 -0.054 0.000 1.041 558 V CA 1.722 63.992 62.300 -0.050 0.000 1.025 558 V CB -1.257 30.484 31.823 -0.137 0.000 0.656 558 V HN 0.589 nan 8.190 nan 0.000 0.451 559 A N 0.193 122.969 122.820 -0.074 0.000 1.948 559 A HA -0.344 4.083 4.320 0.178 0.000 0.220 559 A C 2.300 179.866 177.584 -0.029 0.000 1.177 559 A CA 2.566 54.570 52.037 -0.055 0.000 0.636 559 A CB -0.565 18.399 19.000 -0.059 0.000 0.815 559 A HN 0.584 nan 8.150 nan 0.000 0.449 560 K N -0.380 120.010 120.400 -0.017 0.000 2.097 560 K HA -0.155 4.272 4.320 0.178 0.000 0.206 560 K C 1.516 178.122 176.600 0.010 0.000 1.049 560 K CA 1.564 57.851 56.287 0.000 0.000 0.933 560 K CB -0.189 32.317 32.500 0.011 0.000 0.717 560 K HN 0.442 nan 8.250 nan 0.000 0.442 561 N N 0.650 119.360 118.700 0.016 0.000 2.381 561 N HA -0.097 4.750 4.740 0.178 0.000 0.182 561 N C 1.271 176.786 175.510 0.009 0.000 1.025 561 N CA 0.923 53.989 53.050 0.028 0.000 0.888 561 N CB 0.070 38.587 38.487 0.050 0.000 0.965 561 N HN 0.283 nan 8.380 nan 0.000 0.438 562 L N -0.620 120.596 121.223 -0.011 0.000 2.607 562 L HA 0.244 4.691 4.340 0.178 0.000 0.228 562 L C 0.986 177.845 176.870 -0.018 0.000 1.123 562 L CA -0.055 54.770 54.840 -0.025 0.000 0.890 562 L CB -0.145 41.885 42.059 -0.048 0.000 1.103 562 L HN 0.073 nan 8.230 nan 0.000 0.468 563 G N 1.518 110.313 108.800 -0.009 0.000 2.221 563 G HA2 -0.287 3.780 3.960 0.178 0.000 0.265 563 G HA3 -0.287 3.780 3.960 0.178 0.000 0.265 563 G C 0.045 174.939 174.900 -0.010 0.000 1.041 563 G CA 0.136 45.233 45.100 -0.005 0.000 0.807 563 G HN 0.326 nan 8.290 nan 0.000 0.502 564 I N -0.048 120.513 120.570 -0.017 0.000 2.498 564 I HA 0.437 4.714 4.170 0.178 0.000 0.301 564 I C 0.290 176.396 176.117 -0.019 0.000 0.984 564 I CA -0.780 60.509 61.300 -0.018 0.000 1.204 564 I CB 1.439 39.423 38.000 -0.027 0.000 1.362 564 I HN 0.078 nan 8.210 nan 0.000 0.471 565 E N 5.989 126.179 120.200 -0.017 0.000 2.158 565 E HA 0.441 4.898 4.350 0.178 0.000 0.271 565 E C -1.018 175.569 176.600 -0.023 0.000 0.911 565 E CA -0.697 55.692 56.400 -0.017 0.000 0.767 565 E CB 2.055 31.748 29.700 -0.012 0.000 1.120 565 E HN 0.404 nan 8.360 nan 0.000 0.405 566 L N 2.199 123.404 121.223 -0.030 0.000 2.467 566 L HA 0.126 4.573 4.340 0.178 0.000 0.270 566 L C 1.303 178.155 176.870 -0.030 0.000 1.205 566 L CA -0.103 54.715 54.840 -0.036 0.000 0.828 566 L CB 0.080 42.109 42.059 -0.050 0.000 1.101 566 L HN 0.645 nan 8.230 nan 0.000 0.479 567 T N -3.131 111.404 114.554 -0.030 0.000 2.810 567 T HA 0.093 4.550 4.350 0.178 0.000 0.277 567 T C 0.725 175.405 174.700 -0.033 0.000 0.973 567 T CA -0.647 61.437 62.100 -0.026 0.000 0.949 567 T CB 1.228 70.084 68.868 -0.021 0.000 1.075 567 T HN 0.548 nan 8.240 nan 0.000 0.537 568 D N 0.045 120.428 120.400 -0.029 0.000 2.137 568 D HA -0.061 4.686 4.640 0.178 0.000 0.202 568 D C 1.571 177.847 176.300 -0.040 0.000 0.970 568 D CA 1.079 55.060 54.000 -0.031 0.000 0.837 568 D CB -0.115 40.671 40.800 -0.023 0.000 0.981 568 D HN 0.562 nan 8.370 nan 0.000 0.475 569 D N 0.908 121.286 120.400 -0.036 0.000 2.149 569 D HA -0.132 4.615 4.640 0.178 0.000 0.198 569 D C 2.172 178.429 176.300 -0.071 0.000 0.990 569 D CA 0.904 54.877 54.000 -0.044 0.000 0.839 569 D CB -0.145 40.639 40.800 -0.028 0.000 0.948 569 D HN 0.332 nan 8.370 nan 0.000 0.460 570 Q N -0.533 119.226 119.800 -0.069 0.000 2.123 570 Q HA -0.064 4.383 4.340 0.178 0.000 0.199 570 Q C 1.978 177.908 176.000 -0.115 0.000 0.966 570 Q CA 0.497 56.239 55.803 -0.102 0.000 0.845 570 Q CB 0.007 28.701 28.738 -0.074 0.000 0.907 570 Q HN 0.214 nan 8.270 nan 0.000 0.439 571 L N 1.014 122.187 121.223 -0.083 0.000 2.141 571 L HA -0.156 4.291 4.340 0.178 0.000 0.209 571 L C 1.259 178.080 176.870 -0.081 0.000 1.094 571 L CA 1.704 56.498 54.840 -0.077 0.000 0.763 571 L CB -0.462 41.565 42.059 -0.053 0.000 0.908 571 L HN 0.227 nan 8.230 nan 0.000 0.437 572 N N -1.194 117.458 118.700 -0.080 0.000 2.422 572 N HA 0.109 4.956 4.740 0.178 0.000 0.181 572 N C 0.303 175.755 175.510 -0.097 0.000 1.080 572 N CA -0.198 52.808 53.050 -0.074 0.000 0.893 572 N CB 0.207 38.661 38.487 -0.054 0.000 0.973 572 N HN 0.201 nan 8.380 nan 0.000 0.456 573 I N 2.435 122.915 120.570 -0.150 0.000 2.906 573 I HA -0.120 4.157 4.170 0.178 0.000 0.301 573 I C 0.314 176.338 176.117 -0.156 0.000 1.221 573 I CA 0.440 61.614 61.300 -0.210 0.000 1.435 573 I CB -0.018 37.739 38.000 -0.405 0.000 1.345 573 I HN 0.130 nan 8.210 nan 0.000 0.558 574 T N 7.279 121.767 114.554 -0.109 0.000 2.888 574 T HA 0.198 4.655 4.350 0.178 0.000 0.301 574 T C -2.011 172.649 174.700 -0.066 0.000 1.001 574 T CA -1.113 60.949 62.100 -0.064 0.000 1.147 574 T CB 0.135 68.987 68.868 -0.026 0.000 0.931 574 T HN 0.386 nan 8.240 nan 0.000 0.541 575 P HA 0.240 nan 4.420 nan 0.000 0.272 575 P C -2.263 175.053 177.300 0.026 0.000 1.223 575 P CA -1.443 61.645 63.100 -0.021 0.000 0.784 575 P CB -0.483 31.213 31.700 -0.006 0.000 0.923 576 P HA 0.171 nan 4.420 nan 0.000 0.272 576 P C -2.399 174.956 177.300 0.093 0.000 1.223 576 P CA -1.164 62.007 63.100 0.119 0.000 0.784 576 P CB -0.849 30.970 31.700 0.199 0.000 0.923 577 P HA 0.048 nan 4.420 nan 0.000 0.270 577 P C -0.283 177.066 177.300 0.081 0.000 1.223 577 P CA 0.131 63.278 63.100 0.078 0.000 0.785 577 P CB 0.170 31.916 31.700 0.077 0.000 0.923 578 D N 0.089 120.530 120.400 0.068 0.000 2.361 578 D HA 0.064 4.810 4.640 0.178 0.000 0.239 578 D C -0.344 176.001 176.300 0.075 0.000 1.200 578 D CA -0.315 53.721 54.000 0.061 0.000 0.915 578 D CB -0.093 40.736 40.800 0.049 0.000 1.170 578 D HN 0.001 nan 8.370 nan 0.000 0.444 579 V N 1.803 121.749 119.914 0.053 0.000 2.389 579 V HA 0.080 4.307 4.120 0.178 0.000 0.264 579 V C 0.381 176.560 176.094 0.141 0.000 1.049 579 V CA -0.594 61.761 62.300 0.092 0.000 0.932 579 V CB -0.568 31.217 31.823 -0.063 0.000 1.011 579 V HN 0.689 nan 8.190 nan 0.000 0.475 580 N N 4.278 123.089 118.700 0.186 0.000 2.701 580 N HA -0.243 4.604 4.740 0.178 0.000 0.250 580 N C 1.154 176.729 175.510 0.108 0.000 1.046 580 N CA 1.407 54.555 53.050 0.163 0.000 0.733 580 N CB -0.856 37.773 38.487 0.237 0.000 0.973 580 N HN 1.335 nan 8.380 nan 0.000 0.541 581 G N -2.536 106.313 108.800 0.082 0.000 2.179 581 G HA2 -0.309 3.758 3.960 0.178 0.000 0.260 581 G HA3 -0.309 3.758 3.960 0.178 0.000 0.260 581 G C 0.094 175.024 174.900 0.050 0.000 0.977 581 G CA 0.358 45.493 45.100 0.059 0.000 0.641 581 G HN 0.416 nan 8.290 nan 0.000 0.533 582 L N -0.696 120.558 121.223 0.052 0.000 2.375 582 L HA 0.582 5.029 4.340 0.178 0.000 0.271 582 L C 1.295 178.177 176.870 0.020 0.000 1.107 582 L CA -0.340 54.520 54.840 0.034 0.000 0.806 582 L CB 1.228 43.305 42.059 0.031 0.000 1.146 582 L HN 0.027 nan 8.230 nan 0.000 0.447 583 K N 1.444 121.849 120.400 0.009 0.000 2.447 583 K HA 0.186 4.613 4.320 0.178 0.000 0.205 583 K C -0.737 175.852 176.600 -0.018 0.000 1.059 583 K CA -0.106 56.184 56.287 0.004 0.000 1.065 583 K CB 0.662 33.166 32.500 0.006 0.000 0.885 583 K HN 0.615 nan 8.250 nan 0.000 0.545 584 K N -0.657 119.729 120.400 -0.024 0.000 2.870 584 K HA 0.192 4.619 4.320 0.178 0.000 0.290 584 K C -2.292 174.289 176.600 -0.033 0.000 1.070 584 K CA -0.977 55.278 56.287 -0.052 0.000 0.843 584 K CB 1.126 33.578 32.500 -0.078 0.000 1.475 584 K HN -0.183 nan 8.250 nan 0.000 0.359 585 D N 1.617 121.992 120.400 -0.041 0.000 2.470 585 D HA 0.304 5.051 4.640 0.178 0.000 0.233 585 D C -2.234 174.054 176.300 -0.019 0.000 1.372 585 D CA -1.884 52.113 54.000 -0.005 0.000 0.994 585 D CB 2.141 42.960 40.800 0.032 0.000 1.377 585 D HN 0.283 nan 8.370 nan 0.000 0.586 586 P HA -0.090 nan 4.420 nan 0.000 0.225 586 P C 1.261 178.565 177.300 0.007 0.000 1.148 586 P CA 0.802 63.883 63.100 -0.032 0.000 0.779 586 P CB 0.177 31.864 31.700 -0.022 0.000 0.780 587 S N -1.176 114.560 115.700 0.059 0.000 2.507 587 S HA -0.032 4.545 4.470 0.178 0.000 0.235 587 S C 1.647 176.343 174.600 0.162 0.000 0.988 587 S CA 0.648 58.920 58.200 0.120 0.000 0.944 587 S CB -1.329 61.967 63.200 0.159 0.000 0.762 587 S HN 0.143 nan 8.310 nan 0.000 0.526 588 L N 1.231 122.516 121.223 0.104 0.000 2.492 588 L HA 0.221 4.668 4.340 0.178 0.000 0.223 588 L C 1.420 178.230 176.870 -0.099 0.000 1.132 588 L CA 0.104 55.004 54.840 0.100 0.000 0.850 588 L CB -0.179 41.924 42.059 0.074 0.000 0.966 588 L HN 0.345 nan 8.230 nan 0.000 0.454 589 S N -0.719 114.902 115.700 -0.133 0.000 2.617 589 S HA 0.350 4.927 4.470 0.178 0.000 0.283 589 S C 1.001 175.508 174.600 -0.156 0.000 1.189 589 S CA -0.669 57.395 58.200 -0.227 0.000 1.036 589 S CB 1.561 64.611 63.200 -0.249 0.000 1.014 589 S HN 0.136 nan 8.310 nan 0.000 0.522 590 L N 2.254 123.307 121.223 -0.283 0.000 2.095 590 L HA 0.049 4.496 4.340 0.178 0.000 0.204 590 L C 1.189 177.822 176.870 -0.395 0.000 1.080 590 L CA 1.077 55.647 54.840 -0.449 0.000 0.759 590 L CB -0.303 41.188 42.059 -0.947 0.000 0.914 590 L HN 0.749 nan 8.230 nan 0.000 0.439 591 Y N -1.620 118.700 120.300 0.035 0.000 2.535 591 Y HA 0.293 4.949 4.550 0.178 0.000 0.266 591 Y C 2.333 178.267 175.900 0.056 0.000 1.088 591 Y CA -0.176 57.994 58.100 0.115 0.000 1.285 591 Y CB -0.808 37.770 38.460 0.195 0.000 1.166 591 Y HN -0.003 nan 8.280 nan 0.000 0.525 592 A N 1.190 124.036 122.820 0.043 0.000 1.882 592 A HA -0.235 4.192 4.320 0.178 0.000 0.220 592 A C 1.099 178.720 177.584 0.061 0.000 1.253 592 A CA 1.590 53.621 52.037 -0.010 0.000 0.664 592 A CB -1.246 17.698 19.000 -0.095 0.000 0.838 592 A HN 0.328 nan 8.150 nan 0.000 0.460 593 I N 1.337 121.948 120.570 0.068 0.000 2.282 593 I HA 0.215 4.492 4.170 0.178 0.000 0.290 593 I C -2.404 173.790 176.117 0.128 0.000 1.090 593 I CA -2.101 59.250 61.300 0.085 0.000 1.231 593 I CB 1.241 39.280 38.000 0.065 0.000 1.434 593 I HN 0.100 nan 8.210 nan 0.000 0.487 594 P HA 0.041 nan 4.420 nan 0.000 0.266 594 P C -0.395 176.994 177.300 0.149 0.000 1.195 594 P CA 0.164 63.386 63.100 0.203 0.000 0.768 594 P CB 0.492 32.317 31.700 0.208 0.000 0.838 595 D N 0.055 120.549 120.400 0.156 0.000 2.783 595 D HA 0.100 4.847 4.640 0.178 0.000 0.306 595 D C 0.341 176.701 176.300 0.100 0.000 1.633 595 D CA -0.384 53.683 54.000 0.112 0.000 0.796 595 D CB -0.611 40.249 40.800 0.100 0.000 1.230 595 D HN 0.347 nan 8.370 nan 0.000 0.441 596 G N 0.230 109.100 108.800 0.116 0.000 2.406 596 G HA2 0.362 4.429 3.960 0.178 0.000 0.251 596 G HA3 0.362 4.429 3.960 0.178 0.000 0.251 596 G C -0.639 174.295 174.900 0.056 0.000 1.271 596 G CA -0.154 44.999 45.100 0.088 0.000 0.859 596 G HN 0.141 nan 8.290 nan 0.000 0.540 597 D N 1.011 121.430 120.400 0.033 0.000 2.278 597 D HA 0.246 4.993 4.640 0.178 0.000 0.245 597 D C 1.233 177.536 176.300 0.005 0.000 1.052 597 D CA -0.703 53.305 54.000 0.014 0.000 0.834 597 D CB 2.015 42.817 40.800 0.003 0.000 1.194 597 D HN 0.216 nan 8.370 nan 0.000 0.481 598 V N 1.689 121.601 119.914 -0.004 0.000 3.406 598 V HA 0.180 4.407 4.120 0.178 0.000 0.263 598 V C 1.084 177.151 176.094 -0.045 0.000 1.172 598 V CA 0.061 62.352 62.300 -0.015 0.000 1.140 598 V CB -0.929 30.883 31.823 -0.019 0.000 0.784 598 V HN 0.460 nan 8.190 nan 0.000 0.467 599 K N 1.407 121.777 120.400 -0.050 0.000 2.472 599 K HA 0.351 4.778 4.320 0.178 0.000 0.280 599 K C 1.269 177.824 176.600 -0.076 0.000 1.028 599 K CA 1.197 57.436 56.287 -0.080 0.000 1.045 599 K CB 0.034 32.498 32.500 -0.060 0.000 0.902 599 K HN 0.685 nan 8.250 nan 0.000 0.478 600 G N 3.341 112.065 108.800 -0.126 0.000 2.258 600 G HA2 -0.227 3.840 3.960 0.178 0.000 0.233 600 G HA3 -0.227 3.840 3.960 0.178 0.000 0.233 600 G C 0.103 175.018 174.900 0.025 0.000 1.006 600 G CA -0.162 44.933 45.100 -0.009 0.000 0.620 600 G HN 0.593 nan 8.290 nan 0.000 0.511 601 R N 0.062 120.549 120.500 -0.022 0.000 2.822 601 R HA 0.575 5.022 4.340 0.178 0.000 0.277 601 R C 0.194 176.521 176.300 0.046 0.000 1.102 601 R CA 0.148 56.269 56.100 0.035 0.000 1.207 601 R CB 0.460 30.779 30.300 0.032 0.000 1.139 601 R HN 0.361 nan 8.270 nan 0.000 0.557 602 V N 0.621 120.592 119.914 0.096 0.000 2.789 602 V HA 0.380 4.607 4.120 0.178 0.000 0.311 602 V C -0.270 175.879 176.094 0.092 0.000 1.073 602 V CA -0.903 61.470 62.300 0.121 0.000 0.921 602 V CB 2.373 34.299 31.823 0.172 0.000 1.009 602 V HN 0.381 nan 8.190 nan 0.000 0.426 603 V N 2.442 122.406 119.914 0.083 0.000 2.555 603 V HA 0.771 4.997 4.120 0.178 0.000 0.302 603 V C 0.406 176.548 176.094 0.081 0.000 1.038 603 V CA -0.666 61.675 62.300 0.069 0.000 0.887 603 V CB 1.831 33.681 31.823 0.044 0.000 0.991 603 V HN 1.042 nan 8.190 nan 0.000 0.434 604 A N 5.931 128.804 122.820 0.089 0.000 2.362 604 A HA 0.759 5.186 4.320 0.178 0.000 0.276 604 A C -0.389 177.197 177.584 0.003 0.000 1.153 604 A CA -0.217 51.858 52.037 0.064 0.000 0.813 604 A CB -0.038 19.027 19.000 0.110 0.000 1.081 604 A HN 0.774 nan 8.150 nan 0.000 0.507 605 I N 3.594 124.161 120.570 -0.004 0.000 2.382 605 I HA 0.164 4.441 4.170 0.178 0.000 0.285 605 I C -1.043 175.075 176.117 0.000 0.000 1.007 605 I CA -0.715 60.586 61.300 0.001 0.000 1.142 605 I CB 1.425 39.439 38.000 0.024 0.000 1.289 605 I HN 0.350 nan 8.210 nan 0.000 0.453 606 L N 7.549 128.760 121.223 -0.020 0.000 2.295 606 L HA 0.356 4.803 4.340 0.178 0.000 0.288 606 L C 0.222 177.180 176.870 0.146 0.000 1.079 606 L CA 0.275 55.158 54.840 0.073 0.000 0.830 606 L CB 0.099 42.076 42.059 -0.136 0.000 1.200 606 L HN 0.440 nan 8.230 nan 0.000 0.438 607 L N 3.346 124.698 121.223 0.215 0.000 2.479 607 L HA 0.432 4.879 4.340 0.178 0.000 0.249 607 L C 0.273 177.280 176.870 0.228 0.000 1.178 607 L CA -0.599 54.312 54.840 0.120 0.000 0.811 607 L CB 0.713 42.744 42.059 -0.047 0.000 1.187 607 L HN 0.756 nan 8.230 nan 0.000 0.480 608 N N -2.502 116.227 118.700 0.048 0.000 2.831 608 N HA 0.200 5.047 4.740 0.178 0.000 0.276 608 N C -0.390 175.038 175.510 -0.137 0.000 1.416 608 N CA -0.714 52.408 53.050 0.120 0.000 0.799 608 N CB 0.510 39.099 38.487 0.169 0.000 1.554 608 N HN 0.510 nan 8.380 nan 0.000 0.541 609 D N -1.925 118.451 120.400 -0.041 0.000 2.350 609 D HA -0.090 4.657 4.640 0.178 0.000 0.216 609 D C -0.161 176.093 176.300 -0.076 0.000 0.968 609 D CA 1.022 54.961 54.000 -0.101 0.000 0.894 609 D CB -0.035 40.787 40.800 0.037 0.000 0.909 609 D HN 0.729 nan 8.370 nan 0.000 0.520 610 E N 0.465 120.637 120.200 -0.046 0.000 3.284 610 E HA 0.252 4.709 4.350 0.178 0.000 0.277 610 E C -1.405 175.175 176.600 -0.032 0.000 1.218 610 E CA -0.604 55.774 56.400 -0.037 0.000 0.925 610 E CB 0.447 30.137 29.700 -0.016 0.000 1.409 610 E HN -0.085 nan 8.360 nan 0.000 0.388 611 V N 2.685 122.570 119.914 -0.048 0.000 2.715 611 V HA 0.181 4.408 4.120 0.178 0.000 0.299 611 V C 0.763 176.837 176.094 -0.033 0.000 1.054 611 V CA -0.062 62.216 62.300 -0.036 0.000 1.077 611 V CB 0.876 32.670 31.823 -0.048 0.000 0.972 611 V HN 0.557 nan 8.190 nan 0.000 0.484 612 R N 3.332 123.814 120.500 -0.030 0.000 2.291 612 R HA 0.122 4.568 4.340 0.178 0.000 0.333 612 R C 1.434 177.711 176.300 -0.038 0.000 1.082 612 R CA 0.495 56.574 56.100 -0.035 0.000 0.948 612 R CB 0.487 30.764 30.300 -0.040 0.000 1.009 612 R HN 0.918 nan 8.270 nan 0.000 0.460 613 S N 3.335 119.014 115.700 -0.034 0.000 2.419 613 S HA -0.230 4.347 4.470 0.178 0.000 0.235 613 S C 1.917 176.497 174.600 -0.033 0.000 1.019 613 S CA 0.863 59.044 58.200 -0.032 0.000 0.982 613 S CB -0.173 63.010 63.200 -0.028 0.000 0.789 613 S HN 0.718 nan 8.310 nan 0.000 0.490 614 A N 2.136 124.933 122.820 -0.037 0.000 1.930 614 A HA -0.089 4.338 4.320 0.178 0.000 0.217 614 A C 1.982 179.534 177.584 -0.054 0.000 1.175 614 A CA 1.542 53.554 52.037 -0.040 0.000 0.627 614 A CB -0.723 18.252 19.000 -0.041 0.000 0.815 614 A HN 0.432 nan 8.150 nan 0.000 0.443 615 D N -0.140 120.219 120.400 -0.068 0.000 2.084 615 D HA -0.112 4.635 4.640 0.178 0.000 0.194 615 D C 1.954 178.217 176.300 -0.062 0.000 0.990 615 D CA 0.775 54.717 54.000 -0.096 0.000 0.826 615 D CB -0.346 40.386 40.800 -0.112 0.000 0.971 615 D HN 0.330 nan 8.370 nan 0.000 0.453 616 L N 0.148 121.347 121.223 -0.039 0.000 2.042 616 L HA -0.205 4.242 4.340 0.178 0.000 0.210 616 L C 2.266 179.129 176.870 -0.012 0.000 1.076 616 L CA 0.871 55.699 54.840 -0.020 0.000 0.749 616 L CB -0.192 41.856 42.059 -0.018 0.000 0.893 616 L HN 0.103 nan 8.230 nan 0.000 0.432 617 L N -0.245 120.968 121.223 -0.016 0.000 2.017 617 L HA -0.173 4.274 4.340 0.178 0.000 0.208 617 L C 2.790 179.659 176.870 -0.003 0.000 1.073 617 L CA 2.029 56.864 54.840 -0.009 0.000 0.745 617 L CB -1.223 40.829 42.059 -0.012 0.000 0.894 617 L HN 0.215 nan 8.230 nan 0.000 0.432 618 A N -0.382 122.432 122.820 -0.010 0.000 1.865 618 A HA -0.226 4.201 4.320 0.178 0.000 0.217 618 A C 2.321 179.918 177.584 0.022 0.000 1.191 618 A CA 2.129 54.165 52.037 -0.001 0.000 0.623 618 A CB -0.821 18.167 19.000 -0.021 0.000 0.826 618 A HN 0.383 nan 8.150 nan 0.000 0.444 619 I N -0.176 120.409 120.570 0.025 0.000 2.113 619 I HA -0.276 4.001 4.170 0.178 0.000 0.238 619 I C 2.435 178.579 176.117 0.044 0.000 1.070 619 I CA 1.337 62.673 61.300 0.060 0.000 1.332 619 I CB -0.437 37.603 38.000 0.067 0.000 1.044 619 I HN 0.302 nan 8.210 nan 0.000 0.402 620 L N 0.587 121.827 121.223 0.028 0.000 2.042 620 L HA -0.255 4.191 4.340 0.178 0.000 0.210 620 L C 2.665 179.546 176.870 0.019 0.000 1.076 620 L CA 1.576 56.431 54.840 0.024 0.000 0.749 620 L CB -0.827 41.243 42.059 0.019 0.000 0.893 620 L HN 0.321 nan 8.230 nan 0.000 0.432 621 K N 0.702 121.112 120.400 0.016 0.000 2.057 621 K HA -0.171 4.256 4.320 0.178 0.000 0.206 621 K C 2.169 178.777 176.600 0.014 0.000 1.050 621 K CA 1.367 57.662 56.287 0.013 0.000 0.935 621 K CB -0.039 32.467 32.500 0.010 0.000 0.715 621 K HN 0.242 nan 8.250 nan 0.000 0.439 622 A N 1.571 124.405 122.820 0.022 0.000 1.902 622 A HA -0.112 4.314 4.320 0.178 0.000 0.217 622 A C 2.171 179.761 177.584 0.011 0.000 1.181 622 A CA 1.265 53.315 52.037 0.023 0.000 0.623 622 A CB -0.531 18.495 19.000 0.044 0.000 0.818 622 A HN 0.314 nan 8.150 nan 0.000 0.443 623 L N -0.711 120.519 121.223 0.012 0.000 2.027 623 L HA -0.179 4.268 4.340 0.178 0.000 0.206 623 L C 2.596 179.451 176.870 -0.025 0.000 1.074 623 L CA 1.850 56.684 54.840 -0.009 0.000 0.745 623 L CB -0.551 41.508 42.059 0.001 0.000 0.898 623 L HN 0.469 nan 8.230 nan 0.000 0.433 624 K N 0.763 121.158 120.400 -0.008 0.000 2.059 624 K HA -0.272 4.155 4.320 0.178 0.000 0.212 624 K C 2.028 178.618 176.600 -0.017 0.000 1.050 624 K CA 1.902 58.184 56.287 -0.007 0.000 0.927 624 K CB -0.179 32.325 32.500 0.008 0.000 0.714 624 K HN 0.299 nan 8.250 nan 0.000 0.447 625 A N 0.581 123.395 122.820 -0.011 0.000 2.067 625 A HA -0.079 4.348 4.320 0.178 0.000 0.219 625 A C 1.649 179.221 177.584 -0.020 0.000 1.158 625 A CA 1.207 53.238 52.037 -0.011 0.000 0.661 625 A CB -0.081 18.917 19.000 -0.003 0.000 0.801 625 A HN 0.183 nan 8.150 nan 0.000 0.452 626 K N -1.393 118.988 120.400 -0.031 0.000 2.358 626 K HA 0.183 4.610 4.320 0.178 0.000 0.197 626 K C 0.890 177.448 176.600 -0.070 0.000 1.025 626 K CA 0.652 56.915 56.287 -0.040 0.000 1.104 626 K CB 0.172 32.651 32.500 -0.034 0.000 0.855 626 K HN 0.687 nan 8.250 nan 0.000 0.531 627 G N 1.736 110.482 108.800 -0.089 0.000 2.198 627 G HA2 -0.216 3.851 3.960 0.178 0.000 0.257 627 G HA3 -0.216 3.851 3.960 0.178 0.000 0.257 627 G C -0.039 174.680 174.900 -0.302 0.000 1.042 627 G CA 0.176 45.190 45.100 -0.145 0.000 0.791 627 G HN 0.086 nan 8.290 nan 0.000 0.502 628 V N 0.688 120.444 119.914 -0.262 0.000 2.439 628 V HA 0.541 4.768 4.120 0.178 0.000 0.282 628 V C 0.771 176.651 176.094 -0.357 0.000 1.039 628 V CA -0.826 61.289 62.300 -0.309 0.000 0.913 628 V CB 1.193 32.940 31.823 -0.126 0.000 0.983 628 V HN 0.479 nan 8.190 nan 0.000 0.460 629 H N 1.778 120.858 119.070 0.018 0.000 2.509 629 H HA 0.810 5.473 4.556 0.179 0.000 0.359 629 H C 0.165 175.511 175.328 0.030 0.000 1.253 629 H CA 0.037 56.098 56.048 0.021 0.000 1.373 629 H CB 1.104 30.880 29.762 0.023 0.000 1.555 629 H HN 0.861 nan 8.280 nan 0.000 0.586 630 A N 0.698 123.621 122.820 0.172 0.000 2.515 630 A HA 0.544 4.971 4.320 0.178 0.000 0.298 630 A C -1.225 176.414 177.584 0.091 0.000 1.059 630 A CA -1.052 51.046 52.037 0.103 0.000 0.698 630 A CB 1.240 20.282 19.000 0.069 0.000 1.289 630 A HN 0.789 nan 8.150 nan 0.000 0.404 631 K N 2.232 122.678 120.400 0.077 0.000 2.463 631 K HA 0.679 5.106 4.320 0.178 0.000 0.255 631 K C -1.567 175.057 176.600 0.041 0.000 0.942 631 K CA -0.506 55.818 56.287 0.062 0.000 0.814 631 K CB 1.268 33.815 32.500 0.077 0.000 1.122 631 K HN 0.505 nan 8.250 nan 0.000 0.425 632 L N 4.269 125.507 121.223 0.025 0.000 2.283 632 L HA 0.284 4.731 4.340 0.178 0.000 0.287 632 L C -0.646 176.223 176.870 -0.001 0.000 1.073 632 L CA -1.017 53.830 54.840 0.011 0.000 0.822 632 L CB 0.106 42.165 42.059 -0.000 0.000 1.186 632 L HN 0.457 nan 8.230 nan 0.000 0.436 633 L N 4.379 125.601 121.223 -0.001 0.000 2.344 633 L HA 0.596 5.043 4.340 0.178 0.000 0.272 633 L C -0.414 176.398 176.870 -0.098 0.000 1.035 633 L CA -0.389 54.410 54.840 -0.068 0.000 0.807 633 L CB 1.198 43.241 42.059 -0.026 0.000 1.237 633 L HN 0.355 nan 8.230 nan 0.000 0.442 634 Y N -0.940 118.943 120.300 -0.694 0.000 2.725 634 Y HA 0.240 4.897 4.550 0.178 0.000 0.333 634 Y C 0.817 175.991 175.900 -1.211 0.000 1.242 634 Y CA -0.860 56.742 58.100 -0.829 0.000 1.059 634 Y CB 1.593 39.878 38.460 -0.291 0.000 1.306 634 Y HN 0.570 nan 8.280 nan 0.000 0.454 635 S N 1.093 115.877 115.700 -1.527 0.000 2.607 635 S HA 0.189 4.766 4.470 0.178 0.000 0.224 635 S C 0.064 174.361 174.600 -0.504 0.000 0.969 635 S CA 0.657 58.352 58.200 -0.843 0.000 0.927 635 S CB -0.432 62.442 63.200 -0.544 0.000 0.772 635 S HN 0.636 nan 8.310 nan 0.000 0.533 636 R N -1.843 118.418 120.500 -0.398 0.000 2.733 636 R HA 0.634 5.081 4.340 0.178 0.000 0.272 636 R C -0.835 175.438 176.300 -0.045 0.000 1.029 636 R CA -1.040 54.972 56.100 -0.146 0.000 0.888 636 R CB 0.326 30.589 30.300 -0.062 0.000 1.251 636 R HN -0.065 nan 8.270 nan 0.000 0.464 637 M N 0.169 119.757 119.600 -0.020 0.000 2.116 637 M HA 0.604 5.191 4.480 0.178 0.000 0.235 637 M C 1.014 177.330 176.300 0.025 0.000 1.193 637 M CA 0.861 56.160 55.300 -0.002 0.000 0.959 637 M CB 0.466 33.060 32.600 -0.010 0.000 1.313 637 M HN 1.024 nan 8.290 nan 0.000 0.530 638 G N 0.785 109.593 108.800 0.014 0.000 2.464 638 G HA2 -0.117 3.950 3.960 0.178 0.000 0.216 638 G HA3 -0.117 3.950 3.960 0.178 0.000 0.216 638 G C -1.091 173.811 174.900 0.003 0.000 1.186 638 G CA -0.418 44.690 45.100 0.013 0.000 1.010 638 G HN 0.634 nan 8.290 nan 0.000 0.585 639 E N -1.097 119.100 120.200 -0.006 0.000 2.392 639 E HA 0.678 5.135 4.350 0.178 0.000 0.269 639 E C -0.311 176.249 176.600 -0.067 0.000 0.924 639 E CA -0.683 55.697 56.400 -0.034 0.000 0.784 639 E CB 2.765 32.448 29.700 -0.030 0.000 1.292 639 E HN 1.321 nan 8.360 nan 0.000 0.447 640 V N -2.133 117.710 119.914 -0.118 0.000 3.001 640 V HA 0.726 4.953 4.120 0.178 0.000 0.314 640 V C -0.550 175.475 176.094 -0.116 0.000 1.099 640 V CA -0.780 61.416 62.300 -0.172 0.000 0.989 640 V CB 1.918 33.527 31.823 -0.356 0.000 1.040 640 V HN 0.673 nan 8.190 nan 0.000 0.434 641 T N 2.464 116.958 114.554 -0.100 0.000 2.779 641 T HA 0.780 5.237 4.350 0.178 0.000 0.280 641 T C 0.342 175.000 174.700 -0.069 0.000 0.987 641 T CA 0.248 62.308 62.100 -0.068 0.000 0.966 641 T CB 1.350 70.190 68.868 -0.046 0.000 0.933 641 T HN 1.336 nan 8.240 nan 0.000 0.442 642 A N 2.491 125.275 122.820 -0.059 0.000 2.292 642 A HA 0.364 4.791 4.320 0.178 0.000 0.265 642 A C 1.586 179.147 177.584 -0.038 0.000 1.133 642 A CA -0.246 51.760 52.037 -0.051 0.000 0.807 642 A CB 0.042 19.016 19.000 -0.043 0.000 1.102 642 A HN 0.899 nan 8.150 nan 0.000 0.502 643 D N -0.014 120.366 120.400 -0.033 0.000 2.117 643 D HA -0.204 4.543 4.640 0.178 0.000 0.197 643 D C 0.830 177.116 176.300 -0.023 0.000 0.987 643 D CA 1.622 55.606 54.000 -0.026 0.000 0.829 643 D CB -0.597 40.188 40.800 -0.025 0.000 0.961 643 D HN 0.604 nan 8.370 nan 0.000 0.460 644 D N -0.931 119.455 120.400 -0.024 0.000 2.352 644 D HA 0.113 4.860 4.640 0.178 0.000 0.232 644 D C 1.665 177.954 176.300 -0.019 0.000 1.055 644 D CA 0.862 54.850 54.000 -0.020 0.000 0.891 644 D CB -0.150 40.638 40.800 -0.019 0.000 0.897 644 D HN 0.487 nan 8.370 nan 0.000 0.529 645 G N -0.553 108.234 108.800 -0.022 0.000 2.213 645 G HA2 -0.254 3.813 3.960 0.178 0.000 0.226 645 G HA3 -0.254 3.813 3.960 0.178 0.000 0.226 645 G C 0.433 175.319 174.900 -0.023 0.000 0.992 645 G CA 0.123 45.210 45.100 -0.021 0.000 0.632 645 G HN 0.441 nan 8.290 nan 0.000 0.511 646 T N 1.812 116.351 114.554 -0.025 0.000 2.871 646 T HA 0.384 4.841 4.350 0.178 0.000 0.296 646 T C 0.735 175.416 174.700 -0.032 0.000 0.998 646 T CA 0.217 62.302 62.100 -0.025 0.000 1.162 646 T CB 1.945 70.799 68.868 -0.025 0.000 0.947 646 T HN 0.492 nan 8.240 nan 0.000 0.536 647 V N 5.493 125.391 119.914 -0.028 0.000 2.455 647 V HA 0.182 4.409 4.120 0.178 0.000 0.273 647 V C -0.036 176.037 176.094 -0.035 0.000 1.045 647 V CA -0.563 61.717 62.300 -0.033 0.000 0.976 647 V CB 0.679 32.487 31.823 -0.024 0.000 0.993 647 V HN 0.543 nan 8.190 nan 0.000 0.475 648 L N 9.057 130.250 121.223 -0.049 0.000 2.298 648 L HA 0.537 4.984 4.340 0.178 0.000 0.284 648 L C -2.297 174.544 176.870 -0.049 0.000 1.013 648 L CA -2.347 52.463 54.840 -0.051 0.000 0.824 648 L CB 1.553 43.569 42.059 -0.072 0.000 1.221 648 L HN 0.417 nan 8.230 nan 0.000 0.418 649 P HA 0.275 nan 4.420 nan 0.000 0.280 649 P C -0.372 176.915 177.300 -0.022 0.000 1.244 649 P CA -0.166 62.921 63.100 -0.022 0.000 0.784 649 P CB 0.725 32.419 31.700 -0.011 0.000 0.913 650 I N 2.418 122.978 120.570 -0.017 0.000 2.312 650 I HA 0.191 4.468 4.170 0.178 0.000 0.291 650 I C 1.543 177.655 176.117 -0.008 0.000 1.031 650 I CA -0.361 60.931 61.300 -0.012 0.000 1.293 650 I CB 1.268 39.271 38.000 0.005 0.000 1.403 650 I HN 0.380 nan 8.210 nan 0.000 0.484 651 A N 5.484 128.300 122.820 -0.006 0.000 1.897 651 A HA 0.426 4.853 4.320 0.178 0.000 0.215 651 A C 1.068 178.651 177.584 -0.001 0.000 1.181 651 A CA 1.459 53.497 52.037 0.003 0.000 0.620 651 A CB 0.006 19.015 19.000 0.015 0.000 0.821 651 A HN 0.813 nan 8.150 nan 0.000 0.443 652 A N -2.411 120.398 122.820 -0.018 0.000 2.536 652 A HA 0.584 5.011 4.320 0.178 0.000 0.293 652 A C -0.019 177.510 177.584 -0.090 0.000 1.119 652 A CA 0.112 52.134 52.037 -0.026 0.000 0.654 652 A CB -0.288 18.721 19.000 0.014 0.000 1.291 652 A HN 0.746 nan 8.150 nan 0.000 0.439 653 T N -1.802 112.695 114.554 -0.095 0.000 2.881 653 T HA 0.576 5.033 4.350 0.178 0.000 0.278 653 T C 0.886 175.517 174.700 -0.115 0.000 0.982 653 T CA 0.029 62.000 62.100 -0.214 0.000 0.989 653 T CB 0.149 68.926 68.868 -0.151 0.000 1.058 653 T HN 0.455 nan 8.240 nan 0.000 0.529 654 F N 0.475 120.447 119.950 0.036 0.000 2.126 654 F HA -0.002 4.632 4.527 0.178 0.000 0.299 654 F C 2.978 178.908 175.800 0.217 0.000 1.096 654 F CA 1.060 59.134 58.000 0.123 0.000 1.255 654 F CB -0.720 38.335 39.000 0.091 0.000 0.997 654 F HN 0.694 nan 8.300 nan 0.000 0.479 655 A N 0.249 123.238 122.820 0.282 0.000 1.968 655 A HA 0.031 4.458 4.320 0.178 0.000 0.217 655 A C 2.404 180.059 177.584 0.117 0.000 1.169 655 A CA 1.457 53.602 52.037 0.181 0.000 0.638 655 A CB -1.392 17.677 19.000 0.115 0.000 0.812 655 A HN 0.398 nan 8.150 nan 0.000 0.446 656 G N -1.361 107.492 108.800 0.089 0.000 2.572 656 G HA2 0.336 4.403 3.960 0.178 0.000 0.216 656 G HA3 0.336 4.403 3.960 0.178 0.000 0.216 656 G C 0.551 175.497 174.900 0.076 0.000 1.133 656 G CA 0.903 46.038 45.100 0.057 0.000 0.791 656 G HN 1.086 nan 8.290 nan 0.000 0.538 657 A N 1.039 123.938 122.820 0.131 0.000 3.266 657 A HA 0.637 5.064 4.320 0.178 0.000 0.310 657 A C -2.610 175.126 177.584 0.254 0.000 1.066 657 A CA -1.036 51.093 52.037 0.153 0.000 0.839 657 A CB 1.249 20.334 19.000 0.141 0.000 1.192 657 A HN 0.119 nan 8.150 nan 0.000 0.496 658 P HA 0.045 nan 4.420 nan 0.000 0.271 658 P C 1.285 178.425 177.300 -0.267 0.000 1.233 658 P CA 0.456 63.515 63.100 -0.069 0.000 0.789 658 P CB 1.010 32.654 31.700 -0.094 0.000 0.951 659 S N 0.836 115.999 115.700 -0.894 0.000 2.402 659 S HA -0.183 4.394 4.470 0.178 0.000 0.233 659 S C 1.902 176.342 174.600 -0.266 0.000 1.030 659 S CA 1.183 58.977 58.200 -0.677 0.000 1.003 659 S CB -1.148 61.535 63.200 -0.862 0.000 0.813 659 S HN 0.218 nan 8.310 nan 0.000 0.477 660 L N 2.560 123.629 121.223 -0.257 0.000 2.137 660 L HA -0.074 4.373 4.340 0.178 0.000 0.213 660 L C 2.859 179.547 176.870 -0.302 0.000 1.085 660 L CA 2.224 56.914 54.840 -0.251 0.000 0.760 660 L CB -1.909 39.984 42.059 -0.276 0.000 0.893 660 L HN 0.799 nan 8.230 nan 0.000 0.434 661 T N -3.907 110.529 114.554 -0.197 0.000 3.129 661 T HA 0.239 4.696 4.350 0.178 0.000 0.251 661 T C 0.427 175.194 174.700 0.112 0.000 1.117 661 T CA 0.367 62.411 62.100 -0.094 0.000 1.034 661 T CB -0.506 68.395 68.868 0.054 0.000 0.968 661 T HN 0.068 nan 8.240 nan 0.000 0.526 662 V N -2.718 117.238 119.914 0.070 0.000 3.158 662 V HA 0.590 4.817 4.120 0.178 0.000 0.315 662 V C -0.180 175.961 176.094 0.078 0.000 1.148 662 V CA -0.959 61.413 62.300 0.120 0.000 1.042 662 V CB 2.091 34.001 31.823 0.144 0.000 1.101 662 V HN 0.009 nan 8.190 nan 0.000 0.448 663 D N 0.742 121.191 120.400 0.082 0.000 2.392 663 D HA 0.515 5.262 4.640 0.178 0.000 0.206 663 D C 0.536 176.833 176.300 -0.005 0.000 1.046 663 D CA 1.392 55.419 54.000 0.046 0.000 0.865 663 D CB 1.541 42.386 40.800 0.075 0.000 0.969 663 D HN 0.988 nan 8.370 nan 0.000 0.509 664 A N 0.204 123.032 122.820 0.013 0.000 2.601 664 A HA 0.534 4.961 4.320 0.178 0.000 0.291 664 A C -1.569 176.030 177.584 0.025 0.000 1.075 664 A CA -0.563 51.466 52.037 -0.013 0.000 0.671 664 A CB 1.512 20.493 19.000 -0.032 0.000 1.277 664 A HN -0.106 nan 8.150 nan 0.000 0.417 665 V N 1.263 121.184 119.914 0.012 0.000 2.588 665 V HA 0.589 4.816 4.120 0.178 0.000 0.304 665 V C -0.669 175.426 176.094 0.001 0.000 1.042 665 V CA -0.210 62.107 62.300 0.029 0.000 0.877 665 V CB 1.454 33.313 31.823 0.061 0.000 0.996 665 V HN 0.688 nan 8.190 nan 0.000 0.425 666 I N 4.335 124.913 120.570 0.013 0.000 2.465 666 I HA 0.548 4.825 4.170 0.178 0.000 0.291 666 I C -0.833 175.309 176.117 0.041 0.000 1.014 666 I CA -0.944 60.393 61.300 0.062 0.000 1.093 666 I CB 2.288 40.358 38.000 0.115 0.000 1.267 666 I HN 0.288 nan 8.210 nan 0.000 0.431 667 V N 7.461 127.418 119.914 0.070 0.000 2.326 667 V HA 0.355 4.581 4.120 0.178 0.000 0.281 667 V C -2.091 174.058 176.094 0.093 0.000 1.015 667 V CA -1.559 60.771 62.300 0.049 0.000 0.823 667 V CB 1.091 32.924 31.823 0.017 0.000 1.009 667 V HN 0.564 nan 8.190 nan 0.000 0.436 668 P HA 0.220 nan 4.420 nan 0.000 0.276 668 P C 0.273 177.582 177.300 0.016 0.000 1.261 668 P CA -0.333 62.774 63.100 0.011 0.000 0.800 668 P CB 1.174 32.871 31.700 -0.003 0.000 1.066 669 C N -0.239 119.046 119.300 -0.025 0.000 2.640 669 C HA 0.668 5.235 4.460 0.178 0.000 0.330 669 C C 1.215 176.206 174.990 0.001 0.000 1.416 669 C CA 1.701 60.713 59.018 -0.010 0.000 2.396 669 C CB -0.877 26.842 27.740 -0.036 0.000 2.330 669 C HN 0.940 nan 8.230 nan 0.000 0.704 670 G N 0.728 109.529 108.800 0.002 0.000 2.260 670 G HA2 -0.025 4.041 3.960 0.178 0.000 0.250 670 G HA3 -0.025 4.041 3.960 0.178 0.000 0.250 670 G C -0.725 174.181 174.900 0.011 0.000 1.340 670 G CA -0.064 45.037 45.100 0.002 0.000 1.056 670 G HN 1.046 nan 8.290 nan 0.000 0.471 671 N N 1.105 119.815 118.700 0.017 0.000 2.498 671 N HA 0.120 4.967 4.740 0.178 0.000 0.277 671 N C 1.330 176.867 175.510 0.044 0.000 1.208 671 N CA -0.635 52.429 53.050 0.023 0.000 1.029 671 N CB -0.092 38.411 38.487 0.027 0.000 1.403 671 N HN 0.364 nan 8.380 nan 0.000 0.500 672 I N 2.498 123.082 120.570 0.025 0.000 2.614 672 I HA -0.170 4.106 4.170 0.178 0.000 0.258 672 I C 2.346 178.462 176.117 -0.001 0.000 1.189 672 I CA 0.611 61.926 61.300 0.025 0.000 1.462 672 I CB -1.457 36.519 38.000 -0.040 0.000 1.092 672 I HN 0.542 nan 8.210 nan 0.000 0.442 673 A N 0.662 123.477 122.820 -0.009 0.000 2.019 673 A HA -0.267 4.160 4.320 0.178 0.000 0.219 673 A C 2.064 179.669 177.584 0.035 0.000 1.164 673 A CA 1.999 54.031 52.037 -0.009 0.000 0.644 673 A CB -0.667 18.328 19.000 -0.008 0.000 0.805 673 A HN 0.444 nan 8.150 nan 0.000 0.449 674 D N 0.179 120.626 120.400 0.079 0.000 2.178 674 D HA -0.106 4.641 4.640 0.178 0.000 0.202 674 D C 1.492 177.886 176.300 0.157 0.000 0.974 674 D CA 1.578 55.654 54.000 0.127 0.000 0.841 674 D CB -0.184 40.721 40.800 0.176 0.000 0.953 674 D HN 0.623 nan 8.370 nan 0.000 0.478 675 I N -4.156 116.521 120.570 0.179 0.000 4.154 675 I HA 0.503 4.780 4.170 0.178 0.000 0.334 675 I C 1.895 178.128 176.117 0.194 0.000 1.371 675 I CA -0.136 61.285 61.300 0.200 0.000 1.110 675 I CB 0.133 38.288 38.000 0.258 0.000 1.085 675 I HN -0.085 nan 8.210 nan 0.000 0.398 676 A N 1.922 124.791 122.820 0.083 0.000 1.948 676 A HA -0.201 4.226 4.320 0.178 0.000 0.220 676 A C 1.569 179.154 177.584 0.003 0.000 1.177 676 A CA 2.280 54.269 52.037 -0.079 0.000 0.636 676 A CB -0.553 18.334 19.000 -0.188 0.000 0.815 676 A HN 0.524 nan 8.150 nan 0.000 0.449 677 D N -0.505 119.910 120.400 0.024 0.000 2.342 677 D HA 0.029 4.776 4.640 0.178 0.000 0.221 677 D C 0.049 176.376 176.300 0.045 0.000 1.101 677 D CA -0.120 53.895 54.000 0.026 0.000 0.837 677 D CB -0.290 40.517 40.800 0.012 0.000 0.938 677 D HN 0.331 nan 8.370 nan 0.000 0.508 678 N N 1.182 119.921 118.700 0.066 0.000 2.402 678 N HA 0.037 4.884 4.740 0.178 0.000 0.252 678 N C 1.432 176.967 175.510 0.041 0.000 1.118 678 N CA -0.035 53.048 53.050 0.055 0.000 0.945 678 N CB 1.237 39.762 38.487 0.064 0.000 1.147 678 N HN 0.018 nan 8.380 nan 0.000 0.495 679 G N 3.724 112.551 108.800 0.045 0.000 2.556 679 G HA2 -0.324 3.743 3.960 0.178 0.000 0.220 679 G HA3 -0.324 3.743 3.960 0.178 0.000 0.220 679 G C 0.986 175.927 174.900 0.069 0.000 1.156 679 G CA 1.090 46.218 45.100 0.048 0.000 0.766 679 G HN 0.629 nan 8.290 nan 0.000 0.583 680 D N 0.468 120.913 120.400 0.076 0.000 2.117 680 D HA 0.115 4.862 4.640 0.178 0.000 0.197 680 D C 2.795 179.077 176.300 -0.029 0.000 0.987 680 D CA 1.234 55.308 54.000 0.122 0.000 0.829 680 D CB -0.159 40.779 40.800 0.230 0.000 0.961 680 D HN 0.362 nan 8.370 nan 0.000 0.460 681 A N 0.695 123.333 122.820 -0.303 0.000 1.898 681 A HA -0.176 4.251 4.320 0.178 0.000 0.216 681 A C 1.968 179.377 177.584 -0.291 0.000 1.181 681 A CA 1.128 52.778 52.037 -0.645 0.000 0.620 681 A CB -0.420 18.119 19.000 -0.767 0.000 0.819 681 A HN 0.135 nan 8.150 nan 0.000 0.442 682 N N -1.365 117.290 118.700 -0.075 0.000 2.084 682 N HA -0.193 4.654 4.740 0.178 0.000 0.190 682 N C 1.686 177.205 175.510 0.015 0.000 1.030 682 N CA 1.787 54.846 53.050 0.016 0.000 0.849 682 N CB -0.477 38.073 38.487 0.104 0.000 1.012 682 N HN 0.701 nan 8.380 nan 0.000 0.423 683 Y N 0.455 120.723 120.300 -0.053 0.000 2.224 683 Y HA -0.294 4.363 4.550 0.178 0.000 0.289 683 Y C 2.424 178.278 175.900 -0.075 0.000 1.146 683 Y CA 1.223 59.289 58.100 -0.057 0.000 1.182 683 Y CB -0.277 38.156 38.460 -0.045 0.000 0.983 683 Y HN 0.031 nan 8.280 nan 0.000 0.524 684 Y N -0.018 120.137 120.300 -0.241 0.000 2.081 684 Y HA -0.345 4.311 4.550 0.178 0.000 0.280 684 Y C 2.104 177.803 175.900 -0.335 0.000 1.163 684 Y CA 1.893 59.819 58.100 -0.289 0.000 1.135 684 Y CB -0.459 37.842 38.460 -0.265 0.000 0.970 684 Y HN 0.088 nan 8.280 nan 0.000 0.498 685 L N -0.547 120.613 121.223 -0.105 0.000 2.109 685 L HA -0.225 4.221 4.340 0.178 0.000 0.207 685 L C 2.315 179.081 176.870 -0.175 0.000 1.086 685 L CA 1.683 56.441 54.840 -0.136 0.000 0.760 685 L CB -1.510 40.431 42.059 -0.196 0.000 0.910 685 L HN 0.410 nan 8.230 nan 0.000 0.437 686 M N -0.669 118.795 119.600 -0.227 0.000 2.159 686 M HA -0.229 4.358 4.480 0.178 0.000 0.263 686 M C 2.145 178.231 176.300 -0.356 0.000 1.063 686 M CA 1.531 56.703 55.300 -0.214 0.000 1.110 686 M CB -0.375 32.136 32.600 -0.149 0.000 1.374 686 M HN 0.261 nan 8.290 nan 0.000 0.411 687 E N 0.624 120.414 120.200 -0.683 0.000 2.047 687 E HA -0.165 4.292 4.350 0.178 0.000 0.191 687 E C 2.022 178.281 176.600 -0.570 0.000 0.987 687 E CA 1.274 57.211 56.400 -0.772 0.000 0.799 687 E CB 0.036 29.208 29.700 -0.881 0.000 0.752 687 E HN 0.467 nan 8.360 nan 0.000 0.449 688 A N 0.229 122.824 122.820 -0.375 0.000 1.902 688 A HA -0.201 4.226 4.320 0.178 0.000 0.217 688 A C 2.036 179.528 177.584 -0.154 0.000 1.181 688 A CA 1.464 53.373 52.037 -0.213 0.000 0.623 688 A CB -0.904 18.024 19.000 -0.120 0.000 0.818 688 A HN 0.562 nan 8.150 nan 0.000 0.443 689 Y N 0.715 120.867 120.300 -0.246 0.000 2.114 689 Y HA -0.237 4.420 4.550 0.178 0.000 0.284 689 Y C 2.401 178.181 175.900 -0.199 0.000 1.143 689 Y CA 2.458 60.443 58.100 -0.191 0.000 1.135 689 Y CB -0.300 38.068 38.460 -0.154 0.000 0.980 689 Y HN 0.310 nan 8.280 nan 0.000 0.499 690 K N -0.553 119.737 120.400 -0.183 0.000 2.113 690 K HA -0.256 4.171 4.320 0.178 0.000 0.208 690 K C 1.165 177.618 176.600 -0.245 0.000 1.047 690 K CA 2.188 58.314 56.287 -0.269 0.000 0.928 690 K CB -0.529 31.781 32.500 -0.316 0.000 0.716 690 K HN 0.621 nan 8.250 nan 0.000 0.446 691 H N 0.346 119.300 119.070 -0.194 0.000 2.536 691 H HA 0.180 4.843 4.556 0.178 0.000 0.276 691 H C -0.147 175.027 175.328 -0.258 0.000 1.019 691 H CA 0.157 56.086 56.048 -0.199 0.000 1.159 691 H CB 0.040 29.680 29.762 -0.203 0.000 1.373 691 H HN 0.128 nan 8.280 nan 0.000 0.584 692 L N 0.304 121.393 121.223 -0.223 0.000 3.730 692 L HA -0.268 4.179 4.340 0.178 0.000 0.410 692 L C -0.427 176.207 176.870 -0.394 0.000 1.234 692 L CA 0.531 55.156 54.840 -0.359 0.000 0.911 692 L CB -1.728 40.094 42.059 -0.395 0.000 1.942 692 L HN 0.312 nan 8.230 nan 0.000 0.860 693 K N 0.633 120.865 120.400 -0.280 0.000 2.118 693 K HA 0.513 4.940 4.320 0.178 0.000 0.267 693 K C -2.140 174.341 176.600 -0.198 0.000 0.991 693 K CA -1.844 54.296 56.287 -0.245 0.000 0.916 693 K CB 0.775 33.180 32.500 -0.157 0.000 1.041 693 K HN -0.197 nan 8.250 nan 0.000 0.455 694 P HA 0.036 nan 4.420 nan 0.000 0.265 694 P C -0.815 176.423 177.300 -0.103 0.000 1.193 694 P CA 0.432 63.440 63.100 -0.154 0.000 0.765 694 P CB 0.393 32.000 31.700 -0.155 0.000 0.823 695 I N 1.937 122.457 120.570 -0.084 0.000 2.499 695 I HA 0.547 4.824 4.170 0.178 0.000 0.288 695 I C -0.374 175.696 176.117 -0.078 0.000 1.048 695 I CA -0.783 60.485 61.300 -0.053 0.000 1.062 695 I CB 2.137 40.131 38.000 -0.010 0.000 1.238 695 I HN 0.247 nan 8.210 nan 0.000 0.426 696 A N 7.939 130.716 122.820 -0.071 0.000 2.304 696 A HA 0.858 5.284 4.320 0.178 0.000 0.314 696 A C -0.946 176.734 177.584 0.159 0.000 1.187 696 A CA -0.416 51.557 52.037 -0.108 0.000 0.810 696 A CB 0.689 19.524 19.000 -0.274 0.000 1.183 696 A HN 0.681 nan 8.150 nan 0.000 0.487 697 L N 2.649 124.020 121.223 0.246 0.000 2.343 697 L HA 0.657 5.104 4.340 0.178 0.000 0.278 697 L C 0.301 177.370 176.870 0.331 0.000 0.996 697 L CA -0.507 54.495 54.840 0.270 0.000 0.831 697 L CB 1.799 43.965 42.059 0.178 0.000 1.232 697 L HN 0.769 nan 8.230 nan 0.000 0.413 698 A N 2.446 125.382 122.820 0.194 0.000 2.305 698 A HA 0.795 5.222 4.320 0.178 0.000 0.322 698 A C 0.811 178.392 177.584 -0.005 0.000 1.187 698 A CA 0.373 52.400 52.037 -0.017 0.000 0.825 698 A CB 1.087 19.904 19.000 -0.304 0.000 1.164 698 A HN 0.961 nan 8.150 nan 0.000 0.498 699 G N 2.355 111.140 108.800 -0.025 0.000 2.684 699 G HA2 -0.413 3.654 3.960 0.178 0.000 0.332 699 G HA3 -0.413 3.654 3.960 0.178 0.000 0.332 699 G C 0.722 175.623 174.900 0.001 0.000 1.306 699 G CA 1.272 46.361 45.100 -0.019 0.000 1.002 699 G HN 0.744 nan 8.290 nan 0.000 0.545 700 D N 0.949 121.343 120.400 -0.009 0.000 2.228 700 D HA 0.113 4.860 4.640 0.178 0.000 0.203 700 D C 2.701 178.990 176.300 -0.017 0.000 0.988 700 D CA 2.054 56.041 54.000 -0.021 0.000 0.864 700 D CB -0.664 40.120 40.800 -0.026 0.000 0.928 700 D HN 0.827 nan 8.370 nan 0.000 0.469 701 A N 0.142 122.994 122.820 0.054 0.000 2.186 701 A HA -0.180 4.247 4.320 0.178 0.000 0.219 701 A C 1.968 179.656 177.584 0.172 0.000 1.159 701 A CA 0.876 53.020 52.037 0.179 0.000 0.680 701 A CB -0.432 18.716 19.000 0.247 0.000 0.787 701 A HN 0.156 nan 8.150 nan 0.000 0.467 702 R N -0.461 120.083 120.500 0.073 0.000 2.285 702 R HA -0.059 4.388 4.340 0.178 0.000 0.213 702 R C 1.660 177.955 176.300 -0.007 0.000 1.068 702 R CA 1.065 57.198 56.100 0.056 0.000 1.004 702 R CB -0.139 30.182 30.300 0.036 0.000 0.873 702 R HN 0.525 nan 8.270 nan 0.000 0.467 703 K N -0.332 120.005 120.400 -0.105 0.000 2.209 703 K HA -0.116 4.311 4.320 0.178 0.000 0.204 703 K C 1.261 177.693 176.600 -0.280 0.000 1.048 703 K CA 1.138 57.292 56.287 -0.222 0.000 0.940 703 K CB -0.031 32.276 32.500 -0.321 0.000 0.729 703 K HN 0.167 nan 8.250 nan 0.000 0.451 704 F N 1.429 121.356 119.950 -0.038 0.000 2.546 704 F HA -0.104 4.530 4.527 0.178 0.000 0.298 704 F C 1.850 177.604 175.800 -0.076 0.000 1.120 704 F CA 0.780 58.747 58.000 -0.056 0.000 1.456 704 F CB -0.028 38.939 39.000 -0.055 0.000 1.088 704 F HN -0.063 nan 8.300 nan 0.000 0.572 705 K N 0.355 120.794 120.400 0.066 0.000 2.152 705 K HA -0.202 4.225 4.320 0.178 0.000 0.206 705 K C 2.322 178.894 176.600 -0.046 0.000 1.048 705 K CA 1.211 57.495 56.287 -0.006 0.000 0.933 705 K CB -0.391 32.102 32.500 -0.010 0.000 0.721 705 K HN 0.271 nan 8.250 nan 0.000 0.447 706 A N 0.619 123.416 122.820 -0.037 0.000 1.930 706 A HA -0.164 4.262 4.320 0.178 0.000 0.217 706 A C 2.271 179.828 177.584 -0.044 0.000 1.175 706 A CA 1.978 53.987 52.037 -0.046 0.000 0.627 706 A CB -0.885 18.086 19.000 -0.048 0.000 0.815 706 A HN 0.273 nan 8.150 nan 0.000 0.443 707 T N 0.524 115.072 114.554 -0.009 0.000 2.720 707 T HA -0.106 4.351 4.350 0.178 0.000 0.268 707 T C 1.286 175.941 174.700 -0.076 0.000 1.037 707 T CA 1.584 63.686 62.100 0.003 0.000 1.144 707 T CB -0.536 68.397 68.868 0.108 0.000 0.864 707 T HN 0.611 nan 8.240 nan 0.000 0.444 708 I N -1.729 118.740 120.570 -0.169 0.000 3.862 708 I HA 0.458 4.735 4.170 0.178 0.000 0.328 708 I C -0.088 175.787 176.117 -0.404 0.000 1.474 708 I CA -0.599 60.468 61.300 -0.388 0.000 1.215 708 I CB -0.177 37.399 38.000 -0.705 0.000 1.183 708 I HN -0.084 nan 8.210 nan 0.000 0.413 709 K N 1.604 121.885 120.400 -0.198 0.000 3.156 709 K HA -0.120 4.306 4.320 0.178 0.000 0.266 709 K C -0.387 176.140 176.600 -0.123 0.000 0.966 709 K CA 0.632 56.842 56.287 -0.128 0.000 0.719 709 K CB -1.433 31.015 32.500 -0.088 0.000 1.333 709 K HN 0.506 nan 8.250 nan 0.000 0.468 710 I N 0.222 120.718 120.570 -0.123 0.000 2.440 710 I HA 0.377 4.654 4.170 0.178 0.000 0.294 710 I C 1.213 177.310 176.117 -0.035 0.000 0.995 710 I CA -1.146 60.109 61.300 -0.076 0.000 1.306 710 I CB 1.041 38.993 38.000 -0.080 0.000 1.407 710 I HN 0.259 nan 8.210 nan 0.000 0.501 711 A N 4.173 126.986 122.820 -0.013 0.000 2.351 711 A HA 0.170 4.597 4.320 0.178 0.000 0.257 711 A C 0.921 178.503 177.584 -0.004 0.000 1.087 711 A CA -0.313 51.721 52.037 -0.005 0.000 0.798 711 A CB 0.118 19.120 19.000 0.004 0.000 1.033 711 A HN 0.756 nan 8.150 nan 0.000 0.488 712 D N 0.402 120.800 120.400 -0.003 0.000 2.221 712 D HA -0.192 4.555 4.640 0.178 0.000 0.204 712 D C 2.014 178.316 176.300 0.003 0.000 0.982 712 D CA 1.967 55.966 54.000 -0.002 0.000 0.857 712 D CB -0.033 40.765 40.800 -0.003 0.000 0.934 712 D HN 0.849 nan 8.370 nan 0.000 0.475 713 Q N 0.270 120.073 119.800 0.005 0.000 2.435 713 Q HA 0.153 4.600 4.340 0.178 0.000 0.207 713 Q C 1.016 177.022 176.000 0.009 0.000 0.956 713 Q CA 0.821 56.628 55.803 0.007 0.000 0.917 713 Q CB 0.119 28.861 28.738 0.007 0.000 0.997 713 Q HN 0.081 nan 8.270 nan 0.000 0.497 714 G N 1.351 110.156 108.800 0.009 0.000 2.741 714 G HA2 -0.263 3.804 3.960 0.178 0.000 0.222 714 G HA3 -0.263 3.804 3.960 0.178 0.000 0.222 714 G C -1.027 173.882 174.900 0.014 0.000 1.364 714 G CA -0.142 44.965 45.100 0.011 0.000 0.866 714 G HN 0.661 nan 8.290 nan 0.000 0.555 715 E N -1.027 119.182 120.200 0.016 0.000 2.392 715 E HA 0.563 5.020 4.350 0.178 0.000 0.279 715 E C -0.902 175.700 176.600 0.002 0.000 0.964 715 E CA -1.135 55.276 56.400 0.017 0.000 0.777 715 E CB 1.519 31.243 29.700 0.039 0.000 1.249 715 E HN 0.424 nan 8.360 nan 0.000 0.449 716 E N 0.715 120.909 120.200 -0.010 0.000 2.417 716 E HA 0.219 4.676 4.350 0.178 0.000 0.261 716 E C 0.771 177.340 176.600 -0.052 0.000 1.000 716 E CA 1.495 57.875 56.400 -0.033 0.000 0.919 716 E CB 1.053 30.733 29.700 -0.033 0.000 0.955 716 E HN 0.934 nan 8.360 nan 0.000 0.455 717 G N 3.079 111.835 108.800 -0.074 0.000 2.278 717 G HA2 -0.195 3.872 3.960 0.178 0.000 0.210 717 G HA3 -0.195 3.872 3.960 0.178 0.000 0.210 717 G C 0.124 174.981 174.900 -0.072 0.000 1.000 717 G CA -0.470 44.569 45.100 -0.102 0.000 0.635 717 G HN 0.418 nan 8.290 nan 0.000 0.495 718 I N 2.599 123.148 120.570 -0.035 0.000 2.330 718 I HA 0.445 4.722 4.170 0.178 0.000 0.286 718 I C 0.472 176.554 176.117 -0.059 0.000 1.025 718 I CA -1.056 60.230 61.300 -0.023 0.000 1.197 718 I CB 1.122 39.136 38.000 0.023 0.000 1.358 718 I HN -0.095 nan 8.210 nan 0.000 0.467 719 V N 7.860 127.700 119.914 -0.124 0.000 2.427 719 V HA 0.198 4.425 4.120 0.178 0.000 0.268 719 V C 0.502 176.541 176.094 -0.092 0.000 1.046 719 V CA -0.295 61.881 62.300 -0.206 0.000 0.970 719 V CB 0.533 32.077 31.823 -0.466 0.000 1.001 719 V HN 0.824 nan 8.190 nan 0.000 0.476 720 E N 5.015 125.232 120.200 0.028 0.000 2.343 720 E HA 0.932 5.389 4.350 0.178 0.000 0.270 720 E C -0.741 175.990 176.600 0.218 0.000 0.895 720 E CA -0.957 55.539 56.400 0.159 0.000 0.767 720 E CB 2.818 32.574 29.700 0.094 0.000 1.248 720 E HN 0.714 nan 8.360 nan 0.000 0.440 721 A N 1.472 124.433 122.820 0.235 0.000 2.415 721 A HA 0.203 4.630 4.320 0.178 0.000 0.294 721 A C -0.503 177.113 177.584 0.055 0.000 1.019 721 A CA -0.431 51.699 52.037 0.155 0.000 0.603 721 A CB 0.635 19.770 19.000 0.226 0.000 1.382 721 A HN 0.635 nan 8.150 nan 0.000 0.483 722 D N 0.177 120.584 120.400 0.011 0.000 2.097 722 D HA 0.041 4.788 4.640 0.178 0.000 0.197 722 D C 1.123 177.375 176.300 -0.080 0.000 0.984 722 D CA 2.396 56.380 54.000 -0.026 0.000 0.826 722 D CB 0.088 40.876 40.800 -0.020 0.000 0.973 722 D HN 0.831 nan 8.370 nan 0.000 0.460 723 S N -1.717 113.902 115.700 -0.136 0.000 2.685 723 S HA 0.655 5.232 4.470 0.178 0.000 0.282 723 S C -0.311 174.020 174.600 -0.448 0.000 1.159 723 S CA -0.560 57.509 58.200 -0.219 0.000 0.833 723 S CB 2.050 65.168 63.200 -0.137 0.000 1.151 723 S HN -0.007 nan 8.310 nan 0.000 0.485 724 A N 1.089 123.594 122.820 -0.525 0.000 2.929 724 A HA 0.405 4.832 4.320 0.178 0.000 0.279 724 A C 0.325 177.706 177.584 -0.338 0.000 1.418 724 A CA -0.277 51.250 52.037 -0.851 0.000 1.035 724 A CB -1.905 16.722 19.000 -0.621 0.000 1.047 724 A HN 0.886 nan 8.150 nan 0.000 0.609 725 D N -0.944 119.354 120.400 -0.170 0.000 2.243 725 D HA 0.178 4.925 4.640 0.178 0.000 0.237 725 D C 1.444 177.785 176.300 0.069 0.000 1.364 725 D CA 0.405 54.391 54.000 -0.023 0.000 0.927 725 D CB 0.064 40.865 40.800 0.002 0.000 1.216 725 D HN 0.005 nan 8.370 nan 0.000 0.517 726 G N -1.416 107.419 108.800 0.058 0.000 2.408 726 G HA2 -0.277 3.790 3.960 0.178 0.000 0.217 726 G HA3 -0.277 3.790 3.960 0.178 0.000 0.217 726 G C 1.589 176.541 174.900 0.088 0.000 1.150 726 G CA 0.926 46.066 45.100 0.067 0.000 0.776 726 G HN 0.493 nan 8.290 nan 0.000 0.542 727 S N -0.126 115.629 115.700 0.092 0.000 2.356 727 S HA -0.126 4.450 4.470 0.178 0.000 0.223 727 S C 2.080 176.760 174.600 0.132 0.000 1.032 727 S CA 1.439 59.693 58.200 0.090 0.000 1.005 727 S CB -0.433 62.813 63.200 0.077 0.000 0.867 727 S HN 0.386 nan 8.310 nan 0.000 0.449 728 F N 2.042 121.991 119.950 -0.003 0.000 2.126 728 F HA -0.076 4.558 4.527 0.178 0.000 0.299 728 F C 2.054 177.850 175.800 -0.006 0.000 1.096 728 F CA 1.718 59.716 58.000 -0.004 0.000 1.255 728 F CB -0.379 38.619 39.000 -0.002 0.000 0.997 728 F HN 0.198 nan 8.300 nan 0.000 0.479 729 M N 0.325 120.086 119.600 0.269 0.000 2.132 729 M HA -0.167 4.420 4.480 0.178 0.000 0.263 729 M C 1.835 178.143 176.300 0.012 0.000 1.065 729 M CA 1.398 56.775 55.300 0.127 0.000 1.122 729 M CB -1.402 31.296 32.600 0.163 0.000 1.365 729 M HN 0.136 nan 8.290 nan 0.000 0.411 730 D N 0.464 120.879 120.400 0.025 0.000 2.144 730 D HA -0.139 4.608 4.640 0.178 0.000 0.199 730 D C 1.970 178.246 176.300 -0.039 0.000 0.984 730 D CA 1.033 55.031 54.000 -0.003 0.000 0.834 730 D CB -0.138 40.668 40.800 0.010 0.000 0.955 730 D HN 0.490 nan 8.370 nan 0.000 0.465 731 E N 0.454 120.615 120.200 -0.065 0.000 2.038 731 E HA -0.143 4.314 4.350 0.178 0.000 0.195 731 E C 2.137 178.644 176.600 -0.154 0.000 1.000 731 E CA 0.341 56.674 56.400 -0.112 0.000 0.803 731 E CB -0.100 29.512 29.700 -0.147 0.000 0.750 731 E HN 0.158 nan 8.360 nan 0.000 0.448 732 L N 1.087 122.176 121.223 -0.223 0.000 2.093 732 L HA -0.143 4.304 4.340 0.178 0.000 0.208 732 L C 2.053 178.851 176.870 -0.119 0.000 1.085 732 L CA 1.217 55.930 54.840 -0.211 0.000 0.755 732 L CB -0.345 41.544 42.059 -0.284 0.000 0.904 732 L HN 0.215 nan 8.230 nan 0.000 0.435 733 L N -0.315 120.860 121.223 -0.080 0.000 2.156 733 L HA -0.119 4.328 4.340 0.178 0.000 0.208 733 L C 2.549 179.393 176.870 -0.045 0.000 1.095 733 L CA 1.407 56.218 54.840 -0.049 0.000 0.770 733 L CB -1.687 40.355 42.059 -0.028 0.000 0.914 733 L HN 0.245 nan 8.230 nan 0.000 0.439 734 T N -0.084 114.439 114.554 -0.051 0.000 2.737 734 T HA -0.111 4.346 4.350 0.178 0.000 0.265 734 T C 2.116 176.783 174.700 -0.054 0.000 1.038 734 T CA 0.909 62.984 62.100 -0.041 0.000 1.144 734 T CB -0.121 68.724 68.868 -0.039 0.000 0.866 734 T HN 0.153 nan 8.240 nan 0.000 0.434 735 L N 0.524 121.696 121.223 -0.085 0.000 1.955 735 L HA -0.149 4.298 4.340 0.178 0.000 0.213 735 L C 2.774 179.582 176.870 -0.103 0.000 1.072 735 L CA 1.572 56.344 54.840 -0.113 0.000 0.755 735 L CB -0.612 41.360 42.059 -0.145 0.000 0.888 735 L HN 0.273 nan 8.230 nan 0.000 0.432 736 M N -0.610 118.939 119.600 -0.085 0.000 2.146 736 M HA -0.312 4.275 4.480 0.178 0.000 0.256 736 M C 2.432 178.730 176.300 -0.004 0.000 1.075 736 M CA 2.055 57.325 55.300 -0.048 0.000 1.082 736 M CB -0.676 31.902 32.600 -0.036 0.000 1.355 736 M HN 0.424 nan 8.290 nan 0.000 0.402 737 A N 0.112 122.930 122.820 -0.003 0.000 1.940 737 A HA -0.043 4.383 4.320 0.178 0.000 0.219 737 A C 2.151 179.769 177.584 0.055 0.000 1.176 737 A CA 1.872 53.925 52.037 0.025 0.000 0.631 737 A CB -0.763 18.246 19.000 0.016 0.000 0.814 737 A HN 0.555 nan 8.150 nan 0.000 0.446 738 A N -2.472 120.361 122.820 0.023 0.000 2.259 738 A HA 0.319 4.746 4.320 0.178 0.000 0.208 738 A C 0.984 178.584 177.584 0.027 0.000 1.201 738 A CA 1.297 53.358 52.037 0.040 0.000 0.824 738 A CB -0.636 18.337 19.000 -0.044 0.000 0.838 738 A HN 0.965 nan 8.150 nan 0.000 0.485 739 H N -0.937 118.071 119.070 -0.104 0.000 4.793 739 H HA -0.218 4.445 4.556 0.178 0.000 0.067 739 H C 0.053 175.152 175.328 -0.382 0.000 0.575 739 H CA 2.503 58.462 56.048 -0.149 0.000 1.074 739 H CB -0.541 29.224 29.762 0.005 0.000 0.820 739 H HN 0.463 nan 8.280 nan 0.000 0.816 740 R N -0.052 119.864 120.500 -0.973 0.000 2.807 740 R HA 0.558 5.005 4.340 0.178 0.000 0.276 740 R C -0.590 174.889 176.300 -1.368 0.000 0.979 740 R CA -0.349 54.922 56.100 -1.383 0.000 0.928 740 R CB 1.933 31.010 30.300 -2.038 0.000 1.191 740 R HN 0.111 nan 8.270 nan 0.000 0.471 741 V N 3.208 122.576 119.914 -0.911 0.000 2.229 741 V HA 0.051 4.278 4.120 0.178 0.000 0.245 741 V C 0.789 176.512 176.094 -0.619 0.000 1.243 741 V CA -0.256 61.662 62.300 -0.636 0.000 1.176 741 V CB -0.546 31.039 31.823 -0.397 0.000 1.323 741 V HN 0.735 nan 8.190 nan 0.000 0.499 742 W N 1.824 122.857 121.300 -0.444 0.000 2.374 742 W HA -0.188 4.579 4.660 0.178 0.000 0.288 742 W C 2.599 178.928 176.519 -0.317 0.000 1.218 742 W CA 0.913 57.923 57.345 -0.559 0.000 1.245 742 W CB -0.474 28.295 29.460 -1.152 0.000 1.126 742 W HN 0.662 nan 8.180 nan 0.000 0.545 743 S N 0.970 116.641 115.700 -0.047 0.000 2.442 743 S HA -0.198 4.379 4.470 0.178 0.000 0.236 743 S C 1.793 176.362 174.600 -0.051 0.000 1.007 743 S CA 1.072 59.258 58.200 -0.022 0.000 0.965 743 S CB -0.452 62.734 63.200 -0.023 0.000 0.773 743 S HN 0.410 nan 8.310 nan 0.000 0.504 744 R N 0.505 120.932 120.500 -0.120 0.000 2.276 744 R HA 0.205 4.652 4.340 0.178 0.000 0.203 744 R C 1.814 178.035 176.300 -0.131 0.000 1.017 744 R CA 0.501 56.502 56.100 -0.164 0.000 1.010 744 R CB -0.396 29.708 30.300 -0.327 0.000 0.900 744 R HN 0.509 nan 8.270 nan 0.000 0.469 745 I N 1.679 122.215 120.570 -0.056 0.000 2.118 745 I HA -0.253 4.024 4.170 0.178 0.000 0.241 745 I C -0.827 175.300 176.117 0.018 0.000 1.070 745 I CA 1.479 62.784 61.300 0.008 0.000 1.327 745 I CB -1.043 37.011 38.000 0.089 0.000 1.034 745 I HN 0.146 nan 8.210 nan 0.000 0.405 746 P HA -0.227 nan 4.420 nan 0.000 0.218 746 P C 0.933 178.255 177.300 0.036 0.000 1.152 746 P CA 1.752 64.874 63.100 0.036 0.000 0.857 746 P CB -0.173 31.546 31.700 0.033 0.000 0.787 747 K N -0.827 119.589 120.400 0.026 0.000 2.379 747 K HA 0.122 4.549 4.320 0.178 0.000 0.194 747 K C 1.978 178.629 176.600 0.085 0.000 1.031 747 K CA 0.677 57.002 56.287 0.063 0.000 1.037 747 K CB -0.399 32.161 32.500 0.099 0.000 0.824 747 K HN 0.316 nan 8.250 nan 0.000 0.516 748 I N -1.136 119.443 120.570 0.015 0.000 2.761 748 I HA -0.039 4.238 4.170 0.178 0.000 0.261 748 I C 1.050 177.205 176.117 0.064 0.000 1.198 748 I CA 1.138 62.451 61.300 0.021 0.000 1.482 748 I CB -0.133 37.816 38.000 -0.084 0.000 1.100 748 I HN -0.211 nan 8.210 nan 0.000 0.445 749 D N 1.699 122.137 120.400 0.064 0.000 2.263 749 D HA -0.107 4.640 4.640 0.178 0.000 0.208 749 D C 1.510 177.850 176.300 0.068 0.000 0.971 749 D CA 0.977 55.018 54.000 0.068 0.000 0.867 749 D CB 0.006 40.847 40.800 0.068 0.000 0.929 749 D HN 0.183 nan 8.370 nan 0.000 0.492 750 K N 0.040 120.484 120.400 0.074 0.000 2.410 750 K HA 0.266 4.693 4.320 0.178 0.000 0.200 750 K C 0.073 176.713 176.600 0.066 0.000 1.023 750 K CA -0.218 56.108 56.287 0.065 0.000 1.149 750 K CB 0.277 32.813 32.500 0.060 0.000 0.859 750 K HN 0.232 nan 8.250 nan 0.000 0.514 751 I N 1.140 121.760 120.570 0.084 0.000 2.390 751 I HA 0.359 4.636 4.170 0.178 0.000 0.283 751 I C -2.553 173.603 176.117 0.065 0.000 1.016 751 I CA -2.404 58.941 61.300 0.076 0.000 1.151 751 I CB 1.656 39.727 38.000 0.120 0.000 1.293 751 I HN -0.118 nan 8.210 nan 0.000 0.458 752 P HA 0.266 nan 4.420 nan 0.000 0.263 752 P C -0.607 176.747 177.300 0.090 0.000 1.276 752 P CA 0.261 63.397 63.100 0.060 0.000 0.986 752 P CB 0.565 32.292 31.700 0.045 0.000 1.105 753 A N 0.000 122.875 122.820 0.092 0.000 2.254 753 A HA 0.000 4.427 4.320 0.178 0.000 0.244 753 A CA 0.000 52.135 52.037 0.163 0.000 0.836 753 A CB 0.000 19.025 19.000 0.041 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486