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 1cf9_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STCQGGAGSA 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 0.000 176.283 176.300 -0.028 0.000 2.045 27 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 27 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 28 S N 0.126 115.803 115.700 -0.037 0.000 4.713 28 S HA -0.067 4.456 4.470 0.088 0.000 0.036 28 S C 1.065 175.627 174.600 -0.064 0.000 0.862 28 S CA 0.142 58.315 58.200 -0.046 0.000 0.897 28 S CB -1.077 62.102 63.200 -0.035 0.000 0.317 28 S HN 0.478 nan 8.310 nan 0.000 0.805 29 L N 0.996 122.179 121.223 -0.067 0.000 2.137 29 L HA 0.007 4.400 4.340 0.088 0.000 0.213 29 L C 1.554 178.350 176.870 -0.123 0.000 1.085 29 L CA 1.547 56.340 54.840 -0.078 0.000 0.760 29 L CB -1.124 40.898 42.059 -0.062 0.000 0.893 29 L HN 0.550 nan 8.230 nan 0.000 0.434 30 A N 1.127 123.825 122.820 -0.204 0.000 2.462 30 A HA 0.369 4.742 4.320 0.088 0.000 0.243 30 A C -1.867 175.599 177.584 -0.198 0.000 1.076 30 A CA -1.058 50.757 52.037 -0.369 0.000 0.773 30 A CB -0.461 18.096 19.000 -0.738 0.000 1.010 30 A HN 0.050 nan 8.150 nan 0.000 0.493 31 P HA 0.176 nan 4.420 nan 0.000 0.272 31 P C -0.198 177.112 177.300 0.016 0.000 1.223 31 P CA -0.031 63.059 63.100 -0.018 0.000 0.784 31 P CB 0.798 32.519 31.700 0.036 0.000 0.923 32 E N 0.660 120.870 120.200 0.017 0.000 2.347 32 E HA -0.136 4.266 4.350 0.088 0.000 0.196 32 E C 1.073 177.699 176.600 0.043 0.000 1.008 32 E CA 1.112 57.527 56.400 0.025 0.000 0.852 32 E CB -0.416 29.291 29.700 0.012 0.000 0.783 32 E HN 0.550 nan 8.360 nan 0.000 0.505 33 D N -1.287 119.143 120.400 0.051 0.000 2.340 33 D HA 0.060 4.753 4.640 0.088 0.000 0.220 33 D C 1.146 177.485 176.300 0.066 0.000 1.039 33 D CA 0.639 54.668 54.000 0.048 0.000 0.866 33 D CB -0.277 40.545 40.800 0.036 0.000 0.913 33 D HN 0.098 nan 8.370 nan 0.000 0.523 34 G N 0.654 109.530 108.800 0.127 0.000 2.198 34 G HA2 -0.337 3.676 3.960 0.088 0.000 0.260 34 G HA3 -0.337 3.676 3.960 0.088 0.000 0.260 34 G C 0.947 175.874 174.900 0.047 0.000 1.025 34 G CA 0.820 46.008 45.100 0.147 0.000 0.769 34 G HN 0.613 nan 8.290 nan 0.000 0.507 35 S N -0.012 115.753 115.700 0.110 0.000 2.603 35 S HA -0.009 4.513 4.470 0.088 0.000 0.220 35 S C 1.915 176.551 174.600 0.059 0.000 0.967 35 S CA 1.026 59.257 58.200 0.051 0.000 0.920 35 S CB -0.414 62.818 63.200 0.054 0.000 0.773 35 S HN 0.916 nan 8.310 nan 0.000 0.529 36 H N 0.889 119.966 119.070 0.011 0.000 2.462 36 H HA 0.238 4.846 4.556 0.087 0.000 0.292 36 H C 0.752 176.092 175.328 0.020 0.000 1.049 36 H CA 0.411 56.467 56.048 0.013 0.000 1.334 36 H CB -0.315 29.454 29.762 0.012 0.000 1.404 36 H HN 0.231 nan 8.280 nan 0.000 0.544 37 R N 2.966 123.144 120.500 -0.537 0.000 2.221 37 R HA 0.311 4.703 4.340 0.088 0.000 0.327 37 R C -2.456 173.752 176.300 -0.154 0.000 1.033 37 R CA -2.130 53.748 56.100 -0.370 0.000 0.887 37 R CB 0.725 30.713 30.300 -0.521 0.000 1.057 37 R HN 0.209 nan 8.270 nan 0.000 0.455 38 P HA 0.180 nan 4.420 nan 0.000 0.275 38 P C -1.008 176.282 177.300 -0.016 0.000 1.227 38 P CA -0.518 62.571 63.100 -0.019 0.000 0.781 38 P CB 1.142 32.855 31.700 0.023 0.000 0.906 39 A N 2.770 125.586 122.820 -0.007 0.000 2.540 39 A HA 0.359 4.731 4.320 0.088 0.000 0.239 39 A C 0.937 178.529 177.584 0.013 0.000 1.061 39 A CA 0.154 52.190 52.037 -0.002 0.000 0.758 39 A CB -0.493 18.508 19.000 0.002 0.000 0.991 39 A HN 0.582 nan 8.150 nan 0.000 0.502 40 A N 3.373 126.200 122.820 0.012 0.000 3.118 40 A HA 0.512 4.884 4.320 0.088 0.000 0.256 40 A C 0.277 177.875 177.584 0.023 0.000 1.667 40 A CA 0.106 52.156 52.037 0.021 0.000 1.338 40 A CB -0.835 18.175 19.000 0.016 0.000 1.127 40 A HN 0.906 nan 8.150 nan 0.000 0.634 41 E N -0.727 119.489 120.200 0.027 0.000 2.388 41 E HA 0.418 4.821 4.350 0.088 0.000 0.280 41 E C -3.294 173.323 176.600 0.028 0.000 1.019 41 E CA -2.436 53.980 56.400 0.027 0.000 0.806 41 E CB 0.490 30.202 29.700 0.019 0.000 1.246 41 E HN 0.043 nan 8.360 nan 0.000 0.443 42 P HA 0.038 nan 4.420 nan 0.000 0.262 42 P C -0.713 176.588 177.300 0.003 0.000 1.199 42 P CA 0.421 63.529 63.100 0.012 0.000 0.763 42 P CB 0.362 32.058 31.700 -0.007 0.000 0.790 43 T N 1.133 115.685 114.554 -0.004 0.000 2.909 43 T HA 0.637 5.040 4.350 0.088 0.000 0.299 43 T C -2.947 171.719 174.700 -0.057 0.000 1.073 43 T CA -2.633 59.459 62.100 -0.014 0.000 0.999 43 T CB 1.970 70.837 68.868 -0.000 0.000 1.098 43 T HN 0.082 nan 8.240 nan 0.000 0.477 44 P HA 0.346 nan 4.420 nan 0.000 0.274 44 P C -2.762 174.410 177.300 -0.214 0.000 1.237 44 P CA -1.508 61.435 63.100 -0.261 0.000 0.793 44 P CB -0.790 30.803 31.700 -0.179 0.000 0.977 45 P HA 0.026 nan 4.420 nan 0.000 0.262 45 P C 1.107 178.370 177.300 -0.061 0.000 1.182 45 P CA 1.446 64.465 63.100 -0.135 0.000 0.761 45 P CB -0.330 31.290 31.700 -0.133 0.000 0.795 46 G N 2.624 111.415 108.800 -0.014 0.000 2.205 46 G HA2 -0.352 3.661 3.960 0.088 0.000 0.261 46 G HA3 -0.352 3.661 3.960 0.088 0.000 0.261 46 G C 1.146 176.048 174.900 0.003 0.000 0.980 46 G CA 0.459 45.561 45.100 0.004 0.000 0.632 46 G HN 0.683 nan 8.290 nan 0.000 0.533 47 A N -1.321 121.495 122.820 -0.006 0.000 1.968 47 A HA 0.417 4.790 4.320 0.088 0.000 0.217 47 A C 1.371 178.960 177.584 0.007 0.000 1.169 47 A CA 2.017 54.054 52.037 -0.001 0.000 0.638 47 A CB 0.017 19.013 19.000 -0.007 0.000 0.812 47 A HN 0.488 nan 8.150 nan 0.000 0.446 48 Q N -1.258 118.550 119.800 0.014 0.000 2.501 48 Q HA 0.447 4.839 4.340 0.088 0.000 0.288 48 Q C -2.968 173.050 176.000 0.031 0.000 1.051 48 Q CA -2.028 53.787 55.803 0.020 0.000 0.788 48 Q CB 1.007 29.759 28.738 0.022 0.000 1.469 48 Q HN 0.064 nan 8.270 nan 0.000 0.416 49 P HA 0.073 nan 4.420 nan 0.000 0.269 49 P C -0.301 177.038 177.300 0.064 0.000 1.209 49 P CA 0.014 63.135 63.100 0.035 0.000 0.776 49 P CB 0.274 31.991 31.700 0.029 0.000 0.876 50 T N -0.698 113.897 114.554 0.069 0.000 2.828 50 T HA 0.636 5.038 4.350 0.088 0.000 0.290 50 T C -0.000 174.801 174.700 0.169 0.000 1.019 50 T CA -0.498 61.697 62.100 0.158 0.000 1.031 50 T CB 0.751 69.666 68.868 0.078 0.000 1.001 50 T HN 0.577 nan 8.240 nan 0.000 0.531 51 A N 1.296 124.315 122.820 0.333 0.000 2.602 51 A HA 0.794 5.167 4.320 0.088 0.000 0.290 51 A C -3.038 174.817 177.584 0.451 0.000 1.114 51 A CA -1.973 50.230 52.037 0.276 0.000 0.683 51 A CB 0.495 19.605 19.000 0.183 0.000 1.281 51 A HN 0.662 nan 8.150 nan 0.000 0.416 52 P HA 0.151 nan 4.420 nan 0.000 0.266 52 P C 1.176 178.625 177.300 0.248 0.000 1.195 52 P CA 0.855 64.174 63.100 0.365 0.000 0.768 52 P CB 0.527 32.364 31.700 0.227 0.000 0.838 53 G N 2.268 111.171 108.800 0.171 0.000 2.469 53 G HA2 -0.299 3.714 3.960 0.088 0.000 0.219 53 G HA3 -0.299 3.714 3.960 0.088 0.000 0.219 53 G C 1.537 176.447 174.900 0.017 0.000 1.150 53 G CA 1.159 46.268 45.100 0.015 0.000 0.763 53 G HN 0.596 nan 8.290 nan 0.000 0.561 54 S N 0.067 115.783 115.700 0.027 0.000 2.481 54 S HA 0.133 4.655 4.470 0.088 0.000 0.231 54 S C 2.213 176.829 174.600 0.026 0.000 0.996 54 S CA 0.806 59.009 58.200 0.005 0.000 0.942 54 S CB -0.177 63.020 63.200 -0.005 0.000 0.768 54 S HN 0.325 nan 8.310 nan 0.000 0.520 55 L N -0.141 121.115 121.223 0.055 0.000 2.249 55 L HA 0.258 4.651 4.340 0.088 0.000 0.207 55 L C 2.683 179.584 176.870 0.053 0.000 1.090 55 L CA 0.752 55.625 54.840 0.055 0.000 0.802 55 L CB -0.359 41.743 42.059 0.071 0.000 0.947 55 L HN 0.222 nan 8.230 nan 0.000 0.453 56 K N 1.483 121.923 120.400 0.068 0.000 2.062 56 K HA 0.026 4.399 4.320 0.088 0.000 0.205 56 K C 0.758 177.383 176.600 0.043 0.000 1.051 56 K CA 1.322 57.648 56.287 0.065 0.000 0.941 56 K CB 0.071 32.623 32.500 0.086 0.000 0.719 56 K HN 0.161 nan 8.250 nan 0.000 0.440 57 A N 0.696 123.533 122.820 0.028 0.000 3.317 57 A HA 0.349 4.722 4.320 0.088 0.000 0.307 57 A C -2.186 175.399 177.584 0.002 0.000 1.003 57 A CA -1.000 51.050 52.037 0.022 0.000 0.882 57 A CB 0.592 19.607 19.000 0.025 0.000 1.136 57 A HN 0.133 nan 8.150 nan 0.000 0.488 58 P HA -0.131 nan 4.420 nan 0.000 0.220 58 P C 0.161 177.452 177.300 -0.015 0.000 1.148 58 P CA 1.192 64.288 63.100 -0.006 0.000 0.803 58 P CB 0.298 31.999 31.700 0.003 0.000 0.782 59 D N -0.972 119.424 120.400 -0.008 0.000 2.340 59 D HA 0.013 4.706 4.640 0.088 0.000 0.220 59 D C 0.375 176.659 176.300 -0.026 0.000 1.039 59 D CA 0.573 54.565 54.000 -0.013 0.000 0.866 59 D CB -0.373 40.427 40.800 -0.000 0.000 0.913 59 D HN 0.131 nan 8.370 nan 0.000 0.523 60 T N 2.741 117.276 114.554 -0.032 0.000 2.794 60 T HA 0.300 4.702 4.350 0.088 0.000 0.296 60 T C 0.526 175.174 174.700 -0.087 0.000 0.949 60 T CA -0.416 61.649 62.100 -0.059 0.000 1.101 60 T CB 1.228 70.057 68.868 -0.065 0.000 0.905 60 T HN 0.114 nan 8.240 nan 0.000 0.516 61 R N 2.098 122.537 120.500 -0.102 0.000 2.799 61 R HA 0.627 5.019 4.340 0.088 0.000 0.270 61 R C -1.451 174.777 176.300 -0.121 0.000 1.010 61 R CA -0.931 55.104 56.100 -0.109 0.000 0.916 61 R CB 1.267 31.515 30.300 -0.088 0.000 1.228 61 R HN 0.709 nan 8.270 nan 0.000 0.469 62 N N -1.540 117.094 118.700 -0.110 0.000 3.020 62 N HA 0.084 4.876 4.740 0.088 0.000 0.248 62 N C 0.025 175.487 175.510 -0.081 0.000 1.480 62 N CA -0.584 52.414 53.050 -0.087 0.000 0.874 62 N CB 0.748 39.209 38.487 -0.044 0.000 1.433 62 N HN 0.725 nan 8.380 nan 0.000 0.530 63 E N -0.372 119.796 120.200 -0.053 0.000 2.118 63 E HA -0.250 4.152 4.350 0.088 0.000 0.195 63 E C 0.925 177.456 176.600 -0.114 0.000 0.992 63 E CA 1.362 57.727 56.400 -0.059 0.000 0.804 63 E CB 0.118 29.809 29.700 -0.015 0.000 0.741 63 E HN 0.460 nan 8.360 nan 0.000 0.458 64 K N 0.721 121.019 120.400 -0.170 0.000 2.062 64 K HA -0.045 4.327 4.320 0.088 0.000 0.205 64 K C 2.086 178.531 176.600 -0.258 0.000 1.051 64 K CA 1.034 57.131 56.287 -0.315 0.000 0.941 64 K CB -0.434 31.718 32.500 -0.579 0.000 0.719 64 K HN 0.174 nan 8.250 nan 0.000 0.440 65 L N 0.960 122.043 121.223 -0.233 0.000 2.042 65 L HA -0.221 4.171 4.340 0.088 0.000 0.210 65 L C 1.831 178.594 176.870 -0.179 0.000 1.076 65 L CA 1.352 56.034 54.840 -0.263 0.000 0.749 65 L CB -0.650 41.243 42.059 -0.276 0.000 0.893 65 L HN 0.229 nan 8.230 nan 0.000 0.432 66 N N -0.184 118.434 118.700 -0.137 0.000 2.188 66 N HA -0.141 4.652 4.740 0.088 0.000 0.184 66 N C 2.031 177.485 175.510 -0.094 0.000 1.018 66 N CA 1.683 54.673 53.050 -0.100 0.000 0.858 66 N CB -0.404 38.037 38.487 -0.077 0.000 0.989 66 N HN 0.381 nan 8.380 nan 0.000 0.426 67 S N 0.331 115.965 115.700 -0.110 0.000 2.489 67 S HA 0.083 4.606 4.470 0.088 0.000 0.228 67 S C 1.842 176.383 174.600 -0.098 0.000 0.995 67 S CA 0.235 58.378 58.200 -0.094 0.000 0.934 67 S CB -0.443 62.700 63.200 -0.095 0.000 0.771 67 S HN 0.207 nan 8.310 nan 0.000 0.522 68 L N 0.990 122.140 121.223 -0.121 0.000 2.552 68 L HA 0.126 4.518 4.340 0.088 0.000 0.227 68 L C 2.629 179.454 176.870 -0.075 0.000 1.146 68 L CA 0.679 55.457 54.840 -0.105 0.000 0.858 68 L CB -0.431 41.551 42.059 -0.129 0.000 0.969 68 L HN 0.280 nan 8.230 nan 0.000 0.451 69 E N 1.171 121.329 120.200 -0.070 0.000 2.160 69 E HA -0.263 4.140 4.350 0.088 0.000 0.195 69 E C 1.646 178.225 176.600 -0.034 0.000 0.991 69 E CA 1.577 57.948 56.400 -0.049 0.000 0.810 69 E CB -0.059 29.614 29.700 -0.045 0.000 0.742 69 E HN 0.586 nan 8.360 nan 0.000 0.466 70 D N -0.512 119.866 120.400 -0.036 0.000 2.309 70 D HA -0.136 4.557 4.640 0.088 0.000 0.212 70 D C 1.564 177.850 176.300 -0.024 0.000 0.968 70 D CA 1.352 55.336 54.000 -0.027 0.000 0.882 70 D CB -0.302 40.482 40.800 -0.027 0.000 0.918 70 D HN 0.290 nan 8.370 nan 0.000 0.503 71 V N -3.627 116.271 119.914 -0.026 0.000 3.528 71 V HA 0.342 4.514 4.120 0.088 0.000 0.294 71 V C 0.699 176.786 176.094 -0.012 0.000 1.404 71 V CA -0.739 61.550 62.300 -0.018 0.000 1.065 71 V CB -0.601 31.210 31.823 -0.018 0.000 0.904 71 V HN -0.155 nan 8.190 nan 0.000 0.435 72 R N 2.126 122.618 120.500 -0.013 0.000 2.442 72 R HA 0.467 4.860 4.340 0.088 0.000 0.291 72 R C -0.440 175.860 176.300 0.001 0.000 1.069 72 R CA 0.097 56.197 56.100 -0.001 0.000 1.022 72 R CB 0.709 31.009 30.300 -0.001 0.000 0.976 72 R HN 0.449 nan 8.270 nan 0.000 0.443 73 K N 1.317 121.721 120.400 0.007 0.000 2.323 73 K HA 0.307 4.679 4.320 0.088 0.000 0.259 73 K C 0.218 176.831 176.600 0.022 0.000 0.947 73 K CA -0.542 55.739 56.287 -0.011 0.000 0.819 73 K CB 2.313 34.793 32.500 -0.032 0.000 1.109 73 K HN 0.684 nan 8.250 nan 0.000 0.429 74 G N 0.305 109.131 108.800 0.044 0.000 2.494 74 G HA2 0.252 4.264 3.960 0.088 0.000 0.270 74 G HA3 0.252 4.264 3.960 0.088 0.000 0.270 74 G C 0.536 175.529 174.900 0.155 0.000 1.423 74 G CA 0.124 45.302 45.100 0.129 0.000 1.055 74 G HN 0.651 nan 8.290 nan 0.000 0.536 75 S N -2.665 113.199 115.700 0.274 0.000 2.842 75 S HA 0.107 4.630 4.470 0.088 0.000 0.240 75 S C 0.228 174.989 174.600 0.270 0.000 0.987 75 S CA -0.144 58.219 58.200 0.272 0.000 1.166 75 S CB 0.013 63.295 63.200 0.137 0.000 0.942 75 S HN 0.510 nan 8.310 nan 0.000 0.403 76 E N 3.051 123.336 120.200 0.143 0.000 2.452 76 E HA 0.267 4.670 4.350 0.088 0.000 0.261 76 E C -0.205 176.315 176.600 -0.133 0.000 0.987 76 E CA 0.295 56.711 56.400 0.026 0.000 0.926 76 E CB 0.049 29.756 29.700 0.011 0.000 0.934 76 E HN 0.384 nan 8.360 nan 0.000 0.452 77 N N 0.559 119.186 118.700 -0.122 0.000 2.863 77 N HA -0.218 4.574 4.740 0.088 0.000 0.245 77 N C -1.074 174.277 175.510 -0.264 0.000 1.001 77 N CA 1.200 54.132 53.050 -0.197 0.000 0.901 77 N CB -1.390 36.943 38.487 -0.257 0.000 1.124 77 N HN 0.377 nan 8.380 nan 0.000 0.582 78 Y N 0.520 120.825 120.300 0.008 0.000 2.403 78 Y HA 0.647 5.251 4.550 0.089 0.000 0.323 78 Y C 1.010 176.912 175.900 0.003 0.000 1.226 78 Y CA -0.484 57.620 58.100 0.006 0.000 1.235 78 Y CB 0.907 39.371 38.460 0.007 0.000 1.248 78 Y HN 0.113 nan 8.280 nan 0.000 0.489 79 A N 2.000 124.938 122.820 0.198 0.000 2.351 79 A HA 0.437 4.810 4.320 0.088 0.000 0.257 79 A C -0.848 176.786 177.584 0.084 0.000 1.087 79 A CA -0.518 51.581 52.037 0.103 0.000 0.798 79 A CB 0.152 19.197 19.000 0.075 0.000 1.033 79 A HN 0.690 nan 8.150 nan 0.000 0.488 80 L N 2.469 123.720 121.223 0.047 0.000 2.360 80 L HA 0.553 4.946 4.340 0.088 0.000 0.276 80 L C 0.570 177.447 176.870 0.012 0.000 1.121 80 L CA 1.001 55.854 54.840 0.023 0.000 0.845 80 L CB 0.468 42.532 42.059 0.008 0.000 1.143 80 L HN 0.922 nan 8.230 nan 0.000 0.452 81 T N 0.395 114.950 114.554 0.002 0.000 2.838 81 T HA 0.678 5.080 4.350 0.088 0.000 0.292 81 T C 0.238 174.936 174.700 -0.003 0.000 1.113 81 T CA -0.158 61.945 62.100 0.005 0.000 1.008 81 T CB 0.996 69.869 68.868 0.009 0.000 1.259 81 T HN 0.788 nan 8.240 nan 0.000 0.520 82 T N 0.237 114.802 114.554 0.019 0.000 2.698 82 T HA 0.238 4.641 4.350 0.088 0.000 0.295 82 T C 1.032 175.743 174.700 0.018 0.000 1.007 82 T CA -0.505 61.613 62.100 0.029 0.000 0.980 82 T CB -0.111 68.815 68.868 0.097 0.000 1.036 82 T HN 0.565 nan 8.240 nan 0.000 0.526 83 N N 0.406 119.120 118.700 0.022 0.000 2.512 83 N HA -0.050 4.743 4.740 0.088 0.000 0.183 83 N C 1.547 177.072 175.510 0.025 0.000 1.073 83 N CA 0.480 53.537 53.050 0.011 0.000 0.911 83 N CB -0.162 38.339 38.487 0.023 0.000 0.964 83 N HN 0.530 nan 8.380 nan 0.000 0.447 84 Q N -0.573 119.255 119.800 0.047 0.000 2.360 84 Q HA 0.203 4.596 4.340 0.088 0.000 0.202 84 Q C 0.870 176.890 176.000 0.034 0.000 0.915 84 Q CA 0.200 56.027 55.803 0.041 0.000 0.943 84 Q CB 0.424 29.193 28.738 0.052 0.000 1.064 84 Q HN 0.397 nan 8.270 nan 0.000 0.511 85 G N 0.256 109.074 108.800 0.030 0.000 2.157 85 G HA2 -0.233 3.780 3.960 0.088 0.000 0.239 85 G HA3 -0.233 3.780 3.960 0.088 0.000 0.239 85 G C 0.094 175.018 174.900 0.040 0.000 0.982 85 G CA 0.103 45.217 45.100 0.023 0.000 0.650 85 G HN 0.217 nan 8.290 nan 0.000 0.527 86 V N 2.031 121.986 119.914 0.068 0.000 2.432 86 V HA 0.356 4.529 4.120 0.088 0.000 0.271 86 V C 1.325 177.456 176.094 0.063 0.000 1.046 86 V CA -0.573 61.779 62.300 0.087 0.000 0.945 86 V CB 1.021 32.947 31.823 0.172 0.000 0.992 86 V HN 0.404 nan 8.190 nan 0.000 0.471 87 R N 4.345 124.874 120.500 0.049 0.000 2.570 87 R HA 0.282 4.674 4.340 0.088 0.000 0.277 87 R C -0.486 175.826 176.300 0.020 0.000 1.039 87 R CA 0.075 56.195 56.100 0.033 0.000 1.065 87 R CB 0.386 30.706 30.300 0.034 0.000 0.964 87 R HN 0.575 nan 8.270 nan 0.000 0.428 88 I N 1.958 122.527 120.570 -0.001 0.000 2.353 88 I HA 0.133 4.356 4.170 0.088 0.000 0.293 88 I C 0.911 177.016 176.117 -0.020 0.000 0.992 88 I CA 0.065 61.348 61.300 -0.028 0.000 1.268 88 I CB 1.899 39.871 38.000 -0.047 0.000 1.387 88 I HN 0.765 nan 8.210 nan 0.000 0.478 89 A N 3.867 126.671 122.820 -0.026 0.000 1.956 89 A HA 0.055 4.427 4.320 0.088 0.000 0.212 89 A C 0.603 178.171 177.584 -0.026 0.000 1.188 89 A CA 0.748 52.774 52.037 -0.018 0.000 0.675 89 A CB 0.107 19.099 19.000 -0.012 0.000 0.845 89 A HN 0.670 nan 8.150 nan 0.000 0.455 90 D N -0.400 119.976 120.400 -0.040 0.000 2.421 90 D HA 0.314 5.007 4.640 0.088 0.000 0.254 90 D C -1.362 174.905 176.300 -0.053 0.000 1.238 90 D CA -0.330 53.645 54.000 -0.041 0.000 0.919 90 D CB 1.147 41.923 40.800 -0.040 0.000 1.152 90 D HN 0.054 nan 8.370 nan 0.000 0.552 91 D N 2.026 122.397 120.400 -0.048 0.000 2.460 91 D HA 0.064 4.757 4.640 0.088 0.000 0.229 91 D C 0.607 176.875 176.300 -0.053 0.000 1.170 91 D CA 0.263 54.231 54.000 -0.055 0.000 0.827 91 D CB 0.491 41.263 40.800 -0.046 0.000 0.973 91 D HN 0.222 nan 8.370 nan 0.000 0.496 92 Q N -0.727 119.043 119.800 -0.049 0.000 2.245 92 Q HA 0.259 4.651 4.340 0.088 0.000 0.236 92 Q C -0.152 175.819 176.000 -0.048 0.000 0.842 92 Q CA 0.171 55.946 55.803 -0.047 0.000 0.945 92 Q CB 0.798 29.514 28.738 -0.038 0.000 1.122 92 Q HN 0.186 nan 8.270 nan 0.000 0.506 93 N N 0.227 118.897 118.700 -0.050 0.000 2.229 93 N HA 0.330 5.122 4.740 0.088 0.000 0.298 93 N C -0.904 174.573 175.510 -0.054 0.000 1.114 93 N CA -0.226 52.796 53.050 -0.047 0.000 0.776 93 N CB 2.152 40.616 38.487 -0.038 0.000 1.501 93 N HN -0.168 nan 8.380 nan 0.000 0.474 94 S N 0.745 116.416 115.700 -0.048 0.000 2.603 94 S HA 0.255 4.777 4.470 0.088 0.000 0.268 94 S C 0.178 174.754 174.600 -0.039 0.000 1.317 94 S CA -0.556 57.616 58.200 -0.047 0.000 1.012 94 S CB 0.669 63.847 63.200 -0.036 0.000 0.926 94 S HN 0.382 nan 8.310 nan 0.000 0.539 95 L N 3.506 124.707 121.223 -0.038 0.000 2.361 95 L HA 0.373 4.765 4.340 0.088 0.000 0.278 95 L C 0.146 177.009 176.870 -0.011 0.000 1.113 95 L CA 0.472 55.299 54.840 -0.023 0.000 0.849 95 L CB -0.245 41.805 42.059 -0.016 0.000 1.155 95 L HN 0.702 nan 8.230 nan 0.000 0.452 96 R N 4.193 124.688 120.500 -0.008 0.000 2.836 96 R HA 0.864 5.256 4.340 0.088 0.000 0.269 96 R C -1.096 175.203 176.300 -0.000 0.000 1.010 96 R CA -0.856 55.242 56.100 -0.004 0.000 0.930 96 R CB 1.123 31.419 30.300 -0.007 0.000 1.218 96 R HN 0.558 nan 8.270 nan 0.000 0.473 97 A N 1.203 124.024 122.820 0.002 0.000 2.666 97 A HA 0.586 4.959 4.320 0.088 0.000 0.312 97 A C 0.537 178.121 177.584 0.001 0.000 1.471 97 A CA 0.276 52.315 52.037 0.003 0.000 1.134 97 A CB -0.909 18.094 19.000 0.005 0.000 1.129 97 A HN 1.222 nan 8.150 nan 0.000 0.539 98 G N 1.010 109.810 108.800 -0.001 0.000 2.675 98 G HA2 0.061 4.073 3.960 0.088 0.000 0.686 98 G HA3 0.061 4.073 3.960 0.088 0.000 0.686 98 G C 0.629 175.527 174.900 -0.004 0.000 1.215 98 G CA 0.058 45.157 45.100 -0.002 0.000 0.777 98 G HN 1.744 nan 8.290 nan 0.000 0.638 99 S N -0.111 115.585 115.700 -0.006 0.000 2.507 99 S HA -0.021 4.501 4.470 0.088 0.000 0.235 99 S C 1.508 176.103 174.600 -0.009 0.000 0.988 99 S CA 1.422 59.617 58.200 -0.008 0.000 0.944 99 S CB 0.047 63.242 63.200 -0.009 0.000 0.762 99 S HN 0.750 nan 8.310 nan 0.000 0.526 100 R N 0.858 121.354 120.500 -0.007 0.000 2.613 100 R HA 0.352 4.745 4.340 0.088 0.000 0.361 100 R C 0.822 177.118 176.300 -0.005 0.000 1.072 100 R CA 0.037 56.133 56.100 -0.007 0.000 1.089 100 R CB 0.846 31.142 30.300 -0.006 0.000 1.343 100 R HN 0.432 nan 8.270 nan 0.000 0.571 101 G N 1.608 110.405 108.800 -0.005 0.000 2.642 101 G HA2 0.416 4.429 3.960 0.088 0.000 0.291 101 G HA3 0.416 4.429 3.960 0.088 0.000 0.291 101 G C -2.441 172.457 174.900 -0.003 0.000 1.345 101 G CA -1.147 43.951 45.100 -0.003 0.000 1.043 101 G HN -0.110 nan 8.290 nan 0.000 0.528 102 P HA 0.227 nan 4.420 nan 0.000 0.275 102 P C -0.203 177.097 177.300 0.000 0.000 1.228 102 P CA -0.020 63.081 63.100 0.000 0.000 0.786 102 P CB 0.862 32.563 31.700 0.003 0.000 0.927 103 T N 2.595 117.149 114.554 -0.000 0.000 2.907 103 T HA 0.297 4.700 4.350 0.088 0.000 0.298 103 T C 0.421 175.125 174.700 0.006 0.000 1.017 103 T CA -0.191 61.908 62.100 -0.001 0.000 1.118 103 T CB 0.073 68.939 68.868 -0.004 0.000 0.948 103 T HN 0.188 nan 8.240 nan 0.000 0.531 104 L N 3.552 124.780 121.223 0.010 0.000 2.325 104 L HA 0.337 4.729 4.340 0.088 0.000 0.279 104 L C 1.338 178.225 176.870 0.028 0.000 1.054 104 L CA -0.816 54.035 54.840 0.019 0.000 0.804 104 L CB 0.994 43.066 42.059 0.022 0.000 1.200 104 L HN 0.499 nan 8.230 nan 0.000 0.436 105 L N 2.603 123.846 121.223 0.033 0.000 2.079 105 L HA -0.204 4.189 4.340 0.088 0.000 0.210 105 L C 2.359 179.266 176.870 0.062 0.000 1.081 105 L CA 1.749 56.614 54.840 0.042 0.000 0.752 105 L CB -0.602 41.479 42.059 0.037 0.000 0.896 105 L HN 0.812 nan 8.230 nan 0.000 0.433 106 E N -1.282 118.959 120.200 0.068 0.000 2.515 106 E HA -0.199 4.203 4.350 0.088 0.000 0.201 106 E C 0.156 176.850 176.600 0.157 0.000 1.071 106 E CA 0.327 56.792 56.400 0.109 0.000 0.880 106 E CB -0.623 29.134 29.700 0.094 0.000 0.828 106 E HN 0.397 nan 8.360 nan 0.000 0.540 107 D N 1.096 121.550 120.400 0.090 0.000 2.455 107 D HA -0.040 4.652 4.640 0.088 0.000 0.234 107 D C 0.483 176.809 176.300 0.043 0.000 1.224 107 D CA -0.514 53.503 54.000 0.029 0.000 0.999 107 D CB -0.152 40.633 40.800 -0.025 0.000 1.072 107 D HN 0.310 nan 8.370 nan 0.000 0.514 108 F N 2.233 122.191 119.950 0.013 0.000 2.407 108 F HA 0.064 4.641 4.527 0.084 0.000 0.299 108 F C 1.587 177.398 175.800 0.018 0.000 1.097 108 F CA 0.230 58.240 58.000 0.017 0.000 1.422 108 F CB -0.583 38.426 39.000 0.015 0.000 1.067 108 F HN 0.189 nan 8.300 nan 0.000 0.539 109 I N 0.485 120.644 120.570 -0.686 0.000 2.233 109 I HA -0.191 4.032 4.170 0.088 0.000 0.243 109 I C 2.475 178.483 176.117 -0.181 0.000 1.093 109 I CA 1.132 62.156 61.300 -0.460 0.000 1.380 109 I CB -0.525 37.138 38.000 -0.562 0.000 1.067 109 I HN 0.296 nan 8.210 nan 0.000 0.413 110 L N 0.992 122.124 121.223 -0.150 0.000 2.046 110 L HA -0.158 4.234 4.340 0.088 0.000 0.208 110 L C 2.624 179.486 176.870 -0.015 0.000 1.077 110 L CA 1.769 56.566 54.840 -0.072 0.000 0.747 110 L CB -0.528 41.496 42.059 -0.059 0.000 0.896 110 L HN 0.032 nan 8.230 nan 0.000 0.432 111 R N -0.520 119.987 120.500 0.012 0.000 2.075 111 R HA -0.171 4.222 4.340 0.088 0.000 0.232 111 R C 2.311 178.664 176.300 0.089 0.000 1.126 111 R CA 1.574 57.712 56.100 0.062 0.000 0.963 111 R CB -0.329 30.020 30.300 0.082 0.000 0.858 111 R HN 0.584 nan 8.270 nan 0.000 0.435 112 E N 1.086 121.341 120.200 0.091 0.000 2.031 112 E HA -0.248 4.155 4.350 0.088 0.000 0.193 112 E C 1.951 178.623 176.600 0.120 0.000 0.994 112 E CA 1.342 57.812 56.400 0.116 0.000 0.800 112 E CB 0.080 29.848 29.700 0.113 0.000 0.752 112 E HN 0.125 nan 8.360 nan 0.000 0.447 113 K N 0.256 120.697 120.400 0.068 0.000 2.063 113 K HA -0.157 4.216 4.320 0.088 0.000 0.208 113 K C 2.137 178.813 176.600 0.126 0.000 1.048 113 K CA 1.441 57.770 56.287 0.069 0.000 0.928 113 K CB -0.046 32.452 32.500 -0.003 0.000 0.713 113 K HN 0.167 nan 8.250 nan 0.000 0.442 114 I N 1.135 121.763 120.570 0.097 0.000 2.252 114 I HA -0.186 4.036 4.170 0.088 0.000 0.245 114 I C 2.147 178.396 176.117 0.220 0.000 1.102 114 I CA 1.330 62.711 61.300 0.134 0.000 1.385 114 I CB -1.391 36.649 38.000 0.067 0.000 1.064 114 I HN 0.240 nan 8.210 nan 0.000 0.414 115 T N -0.250 114.420 114.554 0.194 0.000 2.720 115 T HA -0.231 4.171 4.350 0.088 0.000 0.268 115 T C 1.960 176.837 174.700 0.296 0.000 1.037 115 T CA 1.472 63.717 62.100 0.242 0.000 1.144 115 T CB -0.425 68.568 68.868 0.208 0.000 0.864 115 T HN 0.346 nan 8.240 nan 0.000 0.444 116 H N -0.109 119.070 119.070 0.182 0.000 2.389 116 H HA -0.018 4.587 4.556 0.082 0.000 0.299 116 H C 2.146 177.559 175.328 0.142 0.000 1.081 116 H CA 1.230 57.367 56.048 0.149 0.000 1.345 116 H CB -0.362 29.458 29.762 0.097 0.000 1.393 116 H HN 0.425 nan 8.280 nan 0.000 0.520 117 F N 1.960 122.001 119.950 0.151 0.000 2.102 117 F HA -0.179 4.326 4.527 -0.037 0.000 0.298 117 F C 2.024 177.805 175.800 -0.032 0.000 1.105 117 F CA 1.693 59.728 58.000 0.057 0.000 1.239 117 F CB -0.343 38.678 39.000 0.033 0.000 0.991 117 F HN 0.025 nan 8.300 nan 0.000 0.474 118 D N -0.805 119.562 120.400 -0.055 0.000 2.190 118 D HA -0.189 4.503 4.640 0.088 0.000 0.200 118 D C 1.357 177.361 176.300 -0.494 0.000 0.992 118 D CA 1.426 55.251 54.000 -0.292 0.000 0.854 118 D CB -0.454 40.222 40.800 -0.206 0.000 0.936 118 D HN 0.499 nan 8.370 nan 0.000 0.462 119 H N -0.078 118.874 119.070 -0.197 0.000 2.488 119 H HA 0.205 4.837 4.556 0.125 0.000 0.294 119 H C 0.967 176.129 175.328 -0.275 0.000 1.088 119 H CA -0.044 55.879 56.048 -0.208 0.000 1.086 119 H CB 0.441 30.091 29.762 -0.187 0.000 1.569 119 H HN 0.303 nan 8.280 nan 0.000 0.548 120 E N 0.636 120.679 120.200 -0.261 0.000 2.150 120 E HA -0.045 4.358 4.350 0.088 0.000 0.193 120 E C 0.551 176.997 176.600 -0.258 0.000 0.985 120 E CA 0.542 56.762 56.400 -0.301 0.000 0.814 120 E CB 0.452 29.952 29.700 -0.333 0.000 0.752 120 E HN 0.203 nan 8.360 nan 0.000 0.466 121 R N 1.179 121.585 120.500 -0.157 0.000 2.459 121 R HA 0.386 4.778 4.340 0.088 0.000 0.281 121 R C 0.447 176.777 176.300 0.051 0.000 1.050 121 R CA -0.269 55.810 56.100 -0.033 0.000 1.055 121 R CB 0.839 31.108 30.300 -0.051 0.000 1.045 121 R HN 0.142 nan 8.270 nan 0.000 0.495 122 I N -1.276 119.382 120.570 0.148 0.000 2.957 122 I HA 0.575 4.798 4.170 0.088 0.000 0.310 122 I C -2.269 173.901 176.117 0.088 0.000 1.063 122 I CA -3.001 58.376 61.300 0.129 0.000 1.033 122 I CB 1.746 39.854 38.000 0.180 0.000 1.230 122 I HN 0.241 nan 8.210 nan 0.000 0.447 123 P HA 0.083 nan 4.420 nan 0.000 0.265 123 P C -0.754 176.567 177.300 0.035 0.000 1.193 123 P CA -0.040 63.079 63.100 0.031 0.000 0.765 123 P CB 0.402 32.111 31.700 0.014 0.000 0.823 124 E N 2.801 123.021 120.200 0.034 0.000 2.391 124 E HA 0.156 4.558 4.350 0.088 0.000 0.255 124 E C -0.380 176.232 176.600 0.020 0.000 1.187 124 E CA -0.788 55.635 56.400 0.039 0.000 0.941 124 E CB 0.584 30.312 29.700 0.045 0.000 1.010 124 E HN 0.263 nan 8.360 nan 0.000 0.458 125 R N 0.582 121.098 120.500 0.028 0.000 2.698 125 R HA 0.006 4.399 4.340 0.088 0.000 0.266 125 R C 1.258 177.561 176.300 0.006 0.000 1.026 125 R CA 0.175 56.284 56.100 0.015 0.000 1.102 125 R CB 0.200 30.532 30.300 0.053 0.000 0.978 125 R HN 0.582 nan 8.270 nan 0.000 0.436 126 I N 1.416 121.980 120.570 -0.010 0.000 2.226 126 I HA -0.179 4.043 4.170 0.088 0.000 0.245 126 I C 0.827 176.941 176.117 -0.005 0.000 1.100 126 I CA 1.081 62.378 61.300 -0.005 0.000 1.374 126 I CB -0.244 37.757 38.000 0.001 0.000 1.057 126 I HN 0.340 nan 8.210 nan 0.000 0.413 127 V N -3.613 116.307 119.914 0.010 0.000 3.040 127 V HA 0.470 4.642 4.120 0.088 0.000 0.312 127 V C 0.033 176.100 176.094 -0.045 0.000 1.115 127 V CA -0.918 61.343 62.300 -0.065 0.000 0.998 127 V CB 1.563 33.381 31.823 -0.010 0.000 1.042 127 V HN 0.352 nan 8.190 nan 0.000 0.433 128 H N 0.397 119.524 119.070 0.096 0.000 2.862 128 H HA -0.206 4.402 4.556 0.087 0.000 0.290 128 H C 1.511 176.885 175.328 0.076 0.000 1.211 128 H CA 0.915 57.017 56.048 0.089 0.000 1.140 128 H CB -1.421 28.385 29.762 0.073 0.000 1.341 128 H HN 1.209 nan 8.280 nan 0.000 0.392 129 A N 0.462 123.331 122.820 0.082 0.000 1.972 129 A HA -0.108 4.265 4.320 0.088 0.000 0.219 129 A C 1.772 179.435 177.584 0.132 0.000 1.169 129 A CA 1.356 53.448 52.037 0.091 0.000 0.635 129 A CB -0.043 18.988 19.000 0.052 0.000 0.810 129 A HN 0.216 nan 8.150 nan 0.000 0.446 130 R N 0.376 120.961 120.500 0.142 0.000 2.196 130 R HA 0.509 4.902 4.340 0.088 0.000 0.340 130 R C -0.115 176.318 176.300 0.222 0.000 1.043 130 R CA 0.566 56.773 56.100 0.180 0.000 0.883 130 R CB 0.075 30.470 30.300 0.158 0.000 1.078 130 R HN 0.335 nan 8.270 nan 0.000 0.462 131 G N 0.653 109.604 108.800 0.252 0.000 2.692 131 G HA2 0.552 4.565 3.960 0.088 0.000 0.291 131 G HA3 0.552 4.565 3.960 0.088 0.000 0.291 131 G C -1.576 173.481 174.900 0.262 0.000 1.423 131 G CA -0.558 44.662 45.100 0.200 0.000 0.843 131 G HN 0.463 nan 8.290 nan 0.000 0.486 132 S N -1.064 114.728 115.700 0.154 0.000 2.571 132 S HA 0.862 5.385 4.470 0.088 0.000 0.284 132 S C -0.192 174.416 174.600 0.015 0.000 1.128 132 S CA -0.147 58.193 58.200 0.233 0.000 0.970 132 S CB 1.675 65.122 63.200 0.413 0.000 1.039 132 S HN 1.511 nan 8.310 nan 0.000 0.485 133 A N 1.686 124.479 122.820 -0.045 0.000 2.479 133 A HA 1.044 5.417 4.320 0.088 0.000 0.296 133 A C -0.922 176.476 177.584 -0.309 0.000 1.121 133 A CA -0.716 51.093 52.037 -0.380 0.000 0.743 133 A CB 1.617 20.243 19.000 -0.624 0.000 1.323 133 A HN 1.345 nan 8.150 nan 0.000 0.415 134 A N 0.226 122.700 122.820 -0.576 0.000 2.609 134 A HA 0.727 5.100 4.320 0.088 0.000 0.291 134 A C -1.052 176.318 177.584 -0.358 0.000 1.096 134 A CA -0.650 51.207 52.037 -0.301 0.000 0.684 134 A CB 0.736 19.656 19.000 -0.134 0.000 1.282 134 A HN 0.876 nan 8.150 nan 0.000 0.412 135 H N -0.434 118.639 119.070 0.004 0.000 2.488 135 H HA 0.696 5.305 4.556 0.087 0.000 0.347 135 H C 0.651 175.974 175.328 -0.008 0.000 1.174 135 H CA 0.857 56.970 56.048 0.108 0.000 1.307 135 H CB 1.803 31.634 29.762 0.115 0.000 1.517 135 H HN 1.168 nan 8.280 nan 0.000 0.554 136 G N 0.327 109.229 108.800 0.171 0.000 2.450 136 G HA2 0.324 4.337 3.960 0.088 0.000 0.273 136 G HA3 0.324 4.337 3.960 0.088 0.000 0.273 136 G C -2.081 172.975 174.900 0.261 0.000 1.221 136 G CA -0.544 44.634 45.100 0.130 0.000 0.900 136 G HN 0.627 nan 8.290 nan 0.000 0.483 137 Y N -1.571 118.766 120.300 0.061 0.000 2.609 137 Y HA 0.843 5.446 4.550 0.087 0.000 0.336 137 Y C -1.805 174.233 175.900 0.230 0.000 1.129 137 Y CA -2.211 55.973 58.100 0.139 0.000 1.040 137 Y CB 1.698 40.210 38.460 0.087 0.000 1.310 137 Y HN 0.887 nan 8.280 nan 0.000 0.460 138 F N 2.545 122.621 119.950 0.210 0.000 2.563 138 F HA 0.715 5.295 4.527 0.088 0.000 0.316 138 F C -1.229 174.736 175.800 0.274 0.000 1.076 138 F CA -0.570 57.552 58.000 0.204 0.000 0.921 138 F CB 2.324 41.591 39.000 0.446 0.000 1.209 138 F HN 0.832 nan 8.300 nan 0.000 0.462 139 Q N 6.733 125.995 119.800 -0.896 0.000 2.309 139 Q HA 0.519 4.911 4.340 0.088 0.000 0.273 139 Q C -3.120 172.256 176.000 -1.039 0.000 1.040 139 Q CA -2.238 53.188 55.803 -0.629 0.000 0.834 139 Q CB 3.126 31.777 28.738 -0.145 0.000 1.345 139 Q HN 0.344 nan 8.270 nan 0.000 0.414 140 P HA 0.101 nan 4.420 nan 0.000 0.277 140 P C -0.460 176.683 177.300 -0.263 0.000 1.240 140 P CA -0.138 62.695 63.100 -0.446 0.000 0.798 140 P CB 0.497 32.110 31.700 -0.145 0.000 0.979 141 Y N 0.824 121.054 120.300 -0.115 0.000 2.263 141 Y HA -0.016 4.587 4.550 0.088 0.000 0.292 141 Y C 1.524 177.393 175.900 -0.052 0.000 1.130 141 Y CA 1.148 59.206 58.100 -0.071 0.000 1.179 141 Y CB -0.275 38.152 38.460 -0.055 0.000 0.998 141 Y HN 0.384 nan 8.280 nan 0.000 0.532 142 K N -1.755 118.703 120.400 0.096 0.000 2.522 142 K HA 0.484 4.856 4.320 0.088 0.000 0.275 142 K C -0.638 175.962 176.600 0.001 0.000 1.006 142 K CA -0.915 55.398 56.287 0.044 0.000 0.890 142 K CB 1.666 34.195 32.500 0.049 0.000 1.475 142 K HN -0.243 nan 8.250 nan 0.000 0.441 143 S N 0.938 116.636 115.700 -0.003 0.000 2.516 143 S HA 0.168 4.690 4.470 0.088 0.000 0.282 143 S C 0.323 174.908 174.600 -0.024 0.000 1.286 143 S CA -0.665 57.524 58.200 -0.018 0.000 1.066 143 S CB -0.267 62.927 63.200 -0.010 0.000 0.884 143 S HN 0.535 nan 8.310 nan 0.000 0.491 144 L N 5.070 126.267 121.223 -0.043 0.000 2.912 144 L HA 0.154 4.547 4.340 0.088 0.000 0.240 144 L C 1.887 178.737 176.870 -0.033 0.000 1.262 144 L CA -0.154 54.667 54.840 -0.031 0.000 1.058 144 L CB -0.249 41.792 42.059 -0.029 0.000 1.383 144 L HN 0.854 nan 8.230 nan 0.000 0.512 145 S N -2.210 113.471 115.700 -0.033 0.000 2.447 145 S HA -0.150 4.372 4.470 0.088 0.000 0.233 145 S C 1.230 175.812 174.600 -0.030 0.000 1.006 145 S CA 0.822 59.002 58.200 -0.034 0.000 0.957 145 S CB -0.079 63.105 63.200 -0.026 0.000 0.773 145 S HN 0.390 nan 8.310 nan 0.000 0.507 146 D N 2.116 122.503 120.400 -0.021 0.000 2.219 146 D HA 0.033 4.726 4.640 0.088 0.000 0.205 146 D C 1.796 178.079 176.300 -0.028 0.000 0.970 146 D CA 1.331 55.319 54.000 -0.020 0.000 0.851 146 D CB -0.169 40.624 40.800 -0.011 0.000 0.943 146 D HN 0.791 nan 8.370 nan 0.000 0.488 147 I N -4.044 116.510 120.570 -0.026 0.000 4.139 147 I HA 0.224 4.446 4.170 0.088 0.000 0.320 147 I C 0.526 176.605 176.117 -0.063 0.000 1.290 147 I CA -0.040 61.237 61.300 -0.038 0.000 1.253 147 I CB 1.059 39.056 38.000 -0.005 0.000 1.122 147 I HN -0.247 nan 8.210 nan 0.000 0.421 148 T N 1.463 115.981 114.554 -0.060 0.000 2.982 148 T HA 0.330 4.732 4.350 0.088 0.000 0.321 148 T C -0.159 174.489 174.700 -0.087 0.000 1.229 148 T CA -0.719 61.327 62.100 -0.089 0.000 1.044 148 T CB 1.748 70.557 68.868 -0.100 0.000 1.184 148 T HN 0.422 nan 8.240 nan 0.000 0.477 149 K N 2.486 122.833 120.400 -0.088 0.000 2.437 149 K HA 0.589 4.962 4.320 0.088 0.000 0.198 149 K C 0.715 177.277 176.600 -0.063 0.000 1.024 149 K CA -0.337 55.910 56.287 -0.067 0.000 1.148 149 K CB 0.263 32.730 32.500 -0.055 0.000 0.860 149 K HN 0.499 nan 8.250 nan 0.000 0.515 150 A N 2.071 124.832 122.820 -0.099 0.000 2.515 150 A HA -0.050 4.323 4.320 0.088 0.000 0.263 150 A C 0.536 178.079 177.584 -0.067 0.000 1.096 150 A CA 0.034 52.021 52.037 -0.082 0.000 0.769 150 A CB 0.000 18.888 19.000 -0.187 0.000 1.040 150 A HN 0.462 nan 8.150 nan 0.000 0.505 151 D N 2.238 122.667 120.400 0.049 0.000 2.149 151 D HA -0.236 4.457 4.640 0.088 0.000 0.198 151 D C 1.321 177.689 176.300 0.113 0.000 0.990 151 D CA 2.337 56.382 54.000 0.075 0.000 0.839 151 D CB -0.211 40.657 40.800 0.114 0.000 0.948 151 D HN 0.743 nan 8.370 nan 0.000 0.460 152 F N -0.608 119.358 119.950 0.027 0.000 2.699 152 F HA 0.185 4.765 4.527 0.089 0.000 0.298 152 F C 0.969 176.845 175.800 0.128 0.000 1.154 152 F CA 0.403 58.458 58.000 0.091 0.000 1.457 152 F CB -0.426 38.622 39.000 0.079 0.000 1.106 152 F HN -0.026 nan 8.300 nan 0.000 0.585 153 L N 0.581 121.490 121.223 -0.524 0.000 2.857 153 L HA 0.204 4.597 4.340 0.088 0.000 0.249 153 L C 1.903 178.675 176.870 -0.163 0.000 1.172 153 L CA 0.452 55.055 54.840 -0.396 0.000 0.980 153 L CB -0.131 41.593 42.059 -0.559 0.000 1.299 153 L HN 0.320 nan 8.230 nan 0.000 0.535 154 S N -2.236 113.411 115.700 -0.088 0.000 2.501 154 S HA 0.028 4.551 4.470 0.088 0.000 0.220 154 S C 0.388 174.981 174.600 -0.012 0.000 0.997 154 S CA -0.007 58.168 58.200 -0.041 0.000 0.919 154 S CB 0.136 63.327 63.200 -0.016 0.000 0.778 154 S HN 0.370 nan 8.310 nan 0.000 0.523 155 D N 0.551 120.952 120.400 0.003 0.000 2.977 155 D HA 0.344 5.037 4.640 0.088 0.000 0.220 155 D C -2.499 173.811 176.300 0.017 0.000 1.267 155 D CA -1.885 52.125 54.000 0.015 0.000 0.884 155 D CB 2.082 42.901 40.800 0.030 0.000 1.667 155 D HN -0.165 nan 8.370 nan 0.000 0.536 156 P HA -0.085 nan 4.420 nan 0.000 0.221 156 P C 0.513 177.828 177.300 0.025 0.000 1.145 156 P CA 0.750 63.859 63.100 0.014 0.000 0.795 156 P CB 0.413 32.133 31.700 0.032 0.000 0.775 157 N N -0.400 118.321 118.700 0.034 0.000 2.412 157 N HA -0.013 4.779 4.740 0.088 0.000 0.184 157 N C 0.675 176.219 175.510 0.056 0.000 1.101 157 N CA 0.383 53.458 53.050 0.041 0.000 0.881 157 N CB -0.195 38.313 38.487 0.035 0.000 0.969 157 N HN 0.261 nan 8.380 nan 0.000 0.459 158 K N 1.920 122.362 120.400 0.069 0.000 2.316 158 K HA 0.196 4.569 4.320 0.088 0.000 0.289 158 K C -0.086 176.604 176.600 0.150 0.000 1.070 158 K CA -0.264 56.087 56.287 0.108 0.000 0.928 158 K CB 0.266 32.841 32.500 0.126 0.000 1.039 158 K HN 0.126 nan 8.250 nan 0.000 0.480 159 I N 0.868 121.534 120.570 0.160 0.000 2.392 159 I HA 0.396 4.618 4.170 0.088 0.000 0.295 159 I C -0.687 175.602 176.117 0.287 0.000 0.985 159 I CA -0.550 60.884 61.300 0.224 0.000 1.221 159 I CB 2.069 40.166 38.000 0.162 0.000 1.366 159 I HN 0.292 nan 8.210 nan 0.000 0.467 160 T N 6.623 121.430 114.554 0.421 0.000 2.786 160 T HA 0.459 4.861 4.350 0.088 0.000 0.283 160 T C -2.545 172.412 174.700 0.429 0.000 0.992 160 T CA -1.173 61.193 62.100 0.443 0.000 0.954 160 T CB 1.623 70.860 68.868 0.615 0.000 0.934 160 T HN 0.490 nan 8.240 nan 0.000 0.440 161 P HA 0.335 nan 4.420 nan 0.000 0.272 161 P C -0.755 176.778 177.300 0.388 0.000 1.223 161 P CA -0.477 62.810 63.100 0.312 0.000 0.784 161 P CB 0.586 32.387 31.700 0.169 0.000 0.923 162 V N -0.764 119.329 119.914 0.298 0.000 3.078 162 V HA 0.728 4.900 4.120 0.088 0.000 0.311 162 V C -1.427 174.824 176.094 0.262 0.000 1.138 162 V CA -0.979 61.411 62.300 0.152 0.000 1.007 162 V CB 2.228 33.922 31.823 -0.215 0.000 1.045 162 V HN 0.350 nan 8.190 nan 0.000 0.432 163 F N 2.378 122.323 119.950 -0.009 0.000 2.536 163 F HA 0.841 5.420 4.527 0.087 0.000 0.322 163 F C -0.866 174.833 175.800 -0.167 0.000 1.144 163 F CA -0.644 57.288 58.000 -0.113 0.000 0.924 163 F CB 1.911 40.877 39.000 -0.057 0.000 1.181 163 F HN 0.532 nan 8.300 nan 0.000 0.438 164 V N 6.692 126.119 119.914 -0.812 0.000 2.495 164 V HA 0.571 4.744 4.120 0.088 0.000 0.298 164 V C -0.642 174.783 176.094 -1.116 0.000 1.031 164 V CA -0.836 60.919 62.300 -0.909 0.000 0.871 164 V CB 1.916 33.129 31.823 -1.017 0.000 0.988 164 V HN 0.734 nan 8.190 nan 0.000 0.432 165 R N 3.404 123.268 120.500 -1.060 0.000 2.439 165 R HA 0.615 5.008 4.340 0.088 0.000 0.310 165 R C -1.713 173.994 176.300 -0.988 0.000 0.955 165 R CA -0.436 55.152 56.100 -0.853 0.000 0.853 165 R CB 1.135 31.186 30.300 -0.415 0.000 1.171 165 R HN 0.528 nan 8.270 nan 0.000 0.449 166 F N 1.751 121.286 119.950 -0.693 0.000 2.432 166 F HA 0.537 5.116 4.527 0.087 0.000 0.329 166 F C 0.485 175.927 175.800 -0.598 0.000 1.076 166 F CA -0.146 57.327 58.000 -0.878 0.000 1.018 166 F CB 2.118 40.095 39.000 -1.706 0.000 1.201 166 F HN 0.594 nan 8.300 nan 0.000 0.489 167 S N -1.271 114.342 115.700 -0.144 0.000 2.615 167 S HA 0.660 5.183 4.470 0.088 0.000 0.269 167 S C -0.546 174.247 174.600 0.321 0.000 1.161 167 S CA -0.853 57.425 58.200 0.131 0.000 0.817 167 S CB 1.258 64.560 63.200 0.170 0.000 1.131 167 S HN 0.717 nan 8.310 nan 0.000 0.467 168 T N -1.906 112.856 114.554 0.347 0.000 2.793 168 T HA 0.496 4.898 4.350 0.088 0.000 0.299 168 T C 0.736 175.620 174.700 0.307 0.000 1.038 168 T CA -0.015 62.278 62.100 0.321 0.000 0.948 168 T CB 0.324 69.336 68.868 0.239 0.000 1.231 168 T HN 0.781 nan 8.240 nan 0.000 0.538 169 C N -0.974 118.409 119.300 0.138 0.000 2.878 169 C HA 0.328 4.841 4.460 0.088 0.000 0.490 169 C C 2.581 177.434 174.990 -0.229 0.000 1.339 169 C CA -0.141 58.745 59.018 -0.221 0.000 2.353 169 C CB -0.116 27.703 27.740 0.131 0.000 3.174 169 C HN 0.954 nan 8.230 nan 0.000 0.569 170 Q N 1.434 121.189 119.800 -0.075 0.000 2.200 170 Q HA 0.133 4.525 4.340 0.088 0.000 0.197 170 Q C 1.140 177.098 176.000 -0.069 0.000 0.953 170 Q CA 1.090 56.839 55.803 -0.090 0.000 0.851 170 Q CB -0.287 28.400 28.738 -0.085 0.000 0.938 170 Q HN 0.605 nan 8.270 nan 0.000 0.488 171 G N 0.009 108.792 108.800 -0.029 0.000 2.667 171 G HA2 0.368 4.381 3.960 0.088 0.000 0.250 171 G HA3 0.368 4.381 3.960 0.088 0.000 0.250 171 G C 0.143 175.037 174.900 -0.010 0.000 1.212 171 G CA 0.093 45.181 45.100 -0.019 0.000 0.874 171 G HN 0.316 nan 8.290 nan 0.000 0.561 172 G N -1.368 107.425 108.800 -0.012 0.000 2.616 172 G HA2 0.488 4.501 3.960 0.088 0.000 0.268 172 G HA3 0.488 4.501 3.960 0.088 0.000 0.268 172 G C 1.302 176.222 174.900 0.033 0.000 1.213 172 G CA 0.452 45.553 45.100 0.001 0.000 0.926 172 G HN 1.067 nan 8.290 nan 0.000 0.523 173 A N -0.366 122.484 122.820 0.050 0.000 2.024 173 A HA 0.074 4.447 4.320 0.088 0.000 0.220 173 A C 2.291 179.908 177.584 0.055 0.000 1.164 173 A CA 2.077 54.164 52.037 0.083 0.000 0.643 173 A CB -0.471 18.592 19.000 0.104 0.000 0.806 173 A HN 1.107 nan 8.150 nan 0.000 0.451 174 G N -0.295 108.519 108.800 0.023 0.000 3.141 174 G HA2 0.303 4.316 3.960 0.088 0.000 0.218 174 G HA3 0.303 4.316 3.960 0.088 0.000 0.218 174 G C 0.772 175.671 174.900 -0.001 0.000 1.170 174 G CA 0.680 45.780 45.100 0.001 0.000 0.769 174 G HN 0.694 nan 8.290 nan 0.000 0.546 175 S N -0.183 115.524 115.700 0.013 0.000 2.655 175 S HA 0.707 5.230 4.470 0.088 0.000 0.265 175 S C 0.457 175.071 174.600 0.024 0.000 1.240 175 S CA -0.092 58.113 58.200 0.009 0.000 0.986 175 S CB 1.538 64.743 63.200 0.008 0.000 0.985 175 S HN 0.552 nan 8.310 nan 0.000 0.562 176 A N 0.407 123.237 122.820 0.016 0.000 2.340 176 A HA 0.375 4.748 4.320 0.088 0.000 0.268 176 A C 0.681 178.289 177.584 0.040 0.000 1.100 176 A CA -0.571 51.474 52.037 0.014 0.000 0.803 176 A CB -0.130 18.860 19.000 -0.017 0.000 1.043 176 A HN 0.870 nan 8.150 nan 0.000 0.488 177 D N 0.850 121.265 120.400 0.025 0.000 2.123 177 D HA -0.080 4.613 4.640 0.088 0.000 0.200 177 D C 1.599 177.877 176.300 -0.037 0.000 0.976 177 D CA 2.251 56.278 54.000 0.044 0.000 0.831 177 D CB -0.253 40.528 40.800 -0.031 0.000 0.974 177 D HN 0.686 nan 8.370 nan 0.000 0.469 178 T N -0.100 114.354 114.554 -0.167 0.000 3.406 178 T HA 0.284 4.687 4.350 0.088 0.000 0.244 178 T C 0.886 175.577 174.700 -0.014 0.000 0.949 178 T CA -0.555 61.446 62.100 -0.164 0.000 0.926 178 T CB -0.963 67.741 68.868 -0.273 0.000 1.089 178 T HN -0.074 nan 8.240 nan 0.000 0.604 179 V N -1.305 118.651 119.914 0.070 0.000 3.441 179 V HA 0.435 4.608 4.120 0.088 0.000 0.300 179 V C 0.709 176.954 176.094 0.251 0.000 1.091 179 V CA -1.446 60.946 62.300 0.154 0.000 1.099 179 V CB 0.409 32.314 31.823 0.136 0.000 1.138 179 V HN 0.560 nan 8.190 nan 0.000 0.471 180 R N 1.317 122.015 120.500 0.331 0.000 2.221 180 R HA 0.511 4.903 4.340 0.088 0.000 0.327 180 R C -1.010 175.385 176.300 0.159 0.000 1.033 180 R CA -0.097 56.152 56.100 0.249 0.000 0.887 180 R CB 0.324 30.693 30.300 0.114 0.000 1.057 180 R HN 1.070 nan 8.270 nan 0.000 0.455 181 D N 3.241 123.750 120.400 0.181 0.000 2.755 181 D HA 0.161 4.854 4.640 0.088 0.000 0.277 181 D C -0.661 175.787 176.300 0.246 0.000 1.261 181 D CA -0.612 53.495 54.000 0.178 0.000 0.759 181 D CB 1.121 42.022 40.800 0.168 0.000 1.279 181 D HN 0.245 nan 8.370 nan 0.000 0.420 182 I N 1.233 121.980 120.570 0.297 0.000 2.882 182 I HA 0.261 4.483 4.170 0.088 0.000 0.286 182 I C 0.842 177.166 176.117 0.345 0.000 1.139 182 I CA -0.084 61.407 61.300 0.319 0.000 1.379 182 I CB 0.111 38.349 38.000 0.397 0.000 1.410 182 I HN 0.261 nan 8.210 nan 0.000 0.594 183 R N 2.452 123.148 120.500 0.327 0.000 2.637 183 R HA 0.546 4.939 4.340 0.088 0.000 0.291 183 R C -0.085 176.366 176.300 0.252 0.000 0.963 183 R CA -0.733 55.567 56.100 0.333 0.000 0.901 183 R CB 1.567 32.076 30.300 0.347 0.000 1.160 183 R HN 0.813 nan 8.270 nan 0.000 0.457 184 G N 0.937 109.820 108.800 0.139 0.000 2.448 184 G HA2 0.462 4.475 3.960 0.088 0.000 0.285 184 G HA3 0.462 4.475 3.960 0.088 0.000 0.285 184 G C -1.252 173.625 174.900 -0.038 0.000 1.176 184 G CA -0.039 44.978 45.100 -0.139 0.000 0.852 184 G HN 0.360 nan 8.290 nan 0.000 0.530 185 F N 1.701 121.478 119.950 -0.288 0.000 3.034 185 F HA 0.629 5.209 4.527 0.088 0.000 0.371 185 F C -0.251 175.228 175.800 -0.535 0.000 1.233 185 F CA -1.801 55.956 58.000 -0.404 0.000 1.134 185 F CB 0.980 39.875 39.000 -0.175 0.000 1.495 185 F HN 0.673 nan 8.300 nan 0.000 0.563 186 A N 3.370 125.903 122.820 -0.479 0.000 2.318 186 A HA 0.802 5.175 4.320 0.088 0.000 0.324 186 A C -0.621 176.456 177.584 -0.844 0.000 1.170 186 A CA -0.438 51.123 52.037 -0.794 0.000 0.810 186 A CB 0.871 18.992 19.000 -1.463 0.000 1.198 186 A HN 0.555 nan 8.150 nan 0.000 0.484 187 T N 2.353 116.575 114.554 -0.553 0.000 2.840 187 T HA 0.365 4.768 4.350 0.088 0.000 0.287 187 T C -0.436 174.030 174.700 -0.391 0.000 0.991 187 T CA -0.480 61.320 62.100 -0.499 0.000 0.964 187 T CB 1.015 69.578 68.868 -0.508 0.000 0.954 187 T HN 0.648 nan 8.240 nan 0.000 0.438 188 K N 3.619 123.902 120.400 -0.196 0.000 2.253 188 K HA 0.462 4.834 4.320 0.088 0.000 0.277 188 K C -1.229 175.062 176.600 -0.515 0.000 1.053 188 K CA -0.573 55.553 56.287 -0.269 0.000 0.892 188 K CB 0.363 32.691 32.500 -0.287 0.000 1.102 188 K HN 0.383 nan 8.250 nan 0.000 0.469 189 F N 4.251 123.942 119.950 -0.431 0.000 2.405 189 F HA 0.233 4.813 4.527 0.088 0.000 0.355 189 F C -0.394 175.220 175.800 -0.310 0.000 1.121 189 F CA -0.595 57.205 58.000 -0.333 0.000 1.112 189 F CB 0.700 39.413 39.000 -0.478 0.000 1.126 189 F HN 0.441 nan 8.300 nan 0.000 0.481 190 Y N 1.846 122.205 120.300 0.099 0.000 2.632 190 Y HA 0.223 4.825 4.550 0.087 0.000 0.336 190 Y C 1.028 176.982 175.900 0.090 0.000 1.237 190 Y CA -0.891 57.248 58.100 0.065 0.000 1.595 190 Y CB -0.343 38.146 38.460 0.049 0.000 1.508 190 Y HN 0.547 nan 8.280 nan 0.000 0.480 191 T N -2.600 112.044 114.554 0.150 0.000 2.847 191 T HA 0.185 4.587 4.350 0.088 0.000 0.279 191 T C 0.991 175.778 174.700 0.145 0.000 0.984 191 T CA -0.719 61.472 62.100 0.152 0.000 0.988 191 T CB 1.099 70.025 68.868 0.097 0.000 1.040 191 T HN 0.629 nan 8.240 nan 0.000 0.528 192 E N -0.010 120.280 120.200 0.150 0.000 2.418 192 E HA -0.038 4.364 4.350 0.088 0.000 0.197 192 E C 0.913 177.573 176.600 0.100 0.000 1.026 192 E CA 0.691 57.162 56.400 0.119 0.000 0.862 192 E CB 0.110 29.877 29.700 0.112 0.000 0.799 192 E HN 0.724 nan 8.360 nan 0.000 0.518 193 E N 0.326 120.586 120.200 0.101 0.000 2.685 193 E HA 0.276 4.678 4.350 0.088 0.000 0.208 193 E C 0.127 176.764 176.600 0.062 0.000 0.996 193 E CA -0.223 56.227 56.400 0.084 0.000 1.054 193 E CB 1.204 30.958 29.700 0.090 0.000 1.075 193 E HN 0.190 nan 8.360 nan 0.000 0.460 194 G N 1.243 110.073 108.800 0.051 0.000 2.479 194 G HA2 -0.150 3.863 3.960 0.088 0.000 0.686 194 G HA3 -0.150 3.863 3.960 0.088 0.000 0.686 194 G C -0.711 174.185 174.900 -0.008 0.000 1.295 194 G CA -1.087 44.017 45.100 0.007 0.000 0.922 194 G HN 0.083 nan 8.290 nan 0.000 0.582 195 I N 0.607 121.134 120.570 -0.071 0.000 2.496 195 I HA 0.369 4.592 4.170 0.088 0.000 0.285 195 I C -0.018 176.092 176.117 -0.011 0.000 1.080 195 I CA 0.023 61.259 61.300 -0.107 0.000 1.404 195 I CB 0.940 38.804 38.000 -0.226 0.000 1.403 195 I HN 0.459 nan 8.210 nan 0.000 0.539 196 F N 6.853 126.696 119.950 -0.179 0.000 2.427 196 F HA 0.431 5.011 4.527 0.088 0.000 0.348 196 F C -0.581 175.194 175.800 -0.042 0.000 1.125 196 F CA -1.263 56.631 58.000 -0.176 0.000 0.989 196 F CB 0.703 39.451 39.000 -0.421 0.000 1.165 196 F HN 0.335 nan 8.300 nan 0.000 0.442 197 D N 6.938 127.164 120.400 -0.289 0.000 2.280 197 D HA 0.247 4.940 4.640 0.088 0.000 0.236 197 D C -0.582 175.253 176.300 -0.776 0.000 1.082 197 D CA 0.009 53.777 54.000 -0.387 0.000 0.834 197 D CB 2.374 43.145 40.800 -0.048 0.000 1.100 197 D HN 0.614 nan 8.370 nan 0.000 0.486 198 L N 3.231 123.971 121.223 -0.805 0.000 2.272 198 L HA 0.260 4.653 4.340 0.088 0.000 0.284 198 L C -0.880 175.771 176.870 -0.364 0.000 1.045 198 L CA -0.621 53.815 54.840 -0.673 0.000 0.842 198 L CB 0.750 42.445 42.059 -0.607 0.000 1.224 198 L HN 0.059 nan 8.230 nan 0.000 0.430 199 V N 5.305 125.059 119.914 -0.267 0.000 2.240 199 V HA 0.458 4.631 4.120 0.088 0.000 0.265 199 V C 0.819 176.826 176.094 -0.144 0.000 1.073 199 V CA -0.335 61.822 62.300 -0.239 0.000 0.857 199 V CB 0.528 32.213 31.823 -0.230 0.000 1.114 199 V HN 0.813 nan 8.190 nan 0.000 0.469 200 G N 3.054 111.765 108.800 -0.150 0.000 2.887 200 G HA2 0.665 4.677 3.960 0.088 0.000 0.277 200 G HA3 0.665 4.677 3.960 0.088 0.000 0.277 200 G C -0.809 174.063 174.900 -0.048 0.000 1.346 200 G CA -0.573 44.480 45.100 -0.079 0.000 1.058 200 G HN 0.484 nan 8.290 nan 0.000 0.535 201 N N -1.154 117.567 118.700 0.035 0.000 2.761 201 N HA 0.236 5.028 4.740 0.088 0.000 0.283 201 N C 0.295 175.943 175.510 0.230 0.000 1.377 201 N CA -0.731 52.386 53.050 0.112 0.000 0.791 201 N CB 1.367 39.919 38.487 0.107 0.000 1.540 201 N HN 0.509 nan 8.380 nan 0.000 0.539 202 N N -1.327 117.537 118.700 0.273 0.000 2.322 202 N HA -0.005 4.788 4.740 0.088 0.000 0.194 202 N C -0.498 175.243 175.510 0.386 0.000 1.126 202 N CA -0.037 53.233 53.050 0.367 0.000 0.845 202 N CB -0.132 38.563 38.487 0.347 0.000 0.976 202 N HN 0.548 nan 8.380 nan 0.000 0.475 203 T N -3.453 111.162 114.554 0.101 0.000 2.900 203 T HA 0.450 4.853 4.350 0.088 0.000 0.295 203 T C -2.579 171.551 174.700 -0.950 0.000 1.044 203 T CA -1.656 60.116 62.100 -0.547 0.000 0.995 203 T CB 3.037 71.486 68.868 -0.698 0.000 1.072 203 T HN -0.248 nan 8.240 nan 0.000 0.473 204 P HA 0.189 nan 4.420 nan 0.000 0.245 204 P C 0.479 177.237 177.300 -0.903 0.000 1.212 204 P CA 0.102 62.271 63.100 -1.551 0.000 0.774 204 P CB -0.046 30.670 31.700 -1.639 0.000 0.999 205 I N -4.740 115.278 120.570 -0.920 0.000 3.145 205 I HA 0.565 4.788 4.170 0.088 0.000 0.313 205 I C -1.330 174.490 176.117 -0.495 0.000 1.122 205 I CA -1.643 59.264 61.300 -0.654 0.000 0.987 205 I CB 1.643 39.190 38.000 -0.755 0.000 1.236 205 I HN -0.288 nan 8.210 nan 0.000 0.453 206 F N 1.084 120.739 119.950 -0.492 0.000 2.572 206 F HA 0.562 5.141 4.527 0.087 0.000 0.342 206 F C 0.376 175.919 175.800 -0.428 0.000 1.064 206 F CA -1.010 56.738 58.000 -0.420 0.000 1.008 206 F CB 1.447 40.333 39.000 -0.190 0.000 1.303 206 F HN 0.407 nan 8.300 nan 0.000 0.492 207 F N 1.905 121.081 119.950 -1.289 0.000 2.186 207 F HA 0.022 4.601 4.527 0.088 0.000 0.299 207 F C 0.832 176.347 175.800 -0.476 0.000 1.090 207 F CA 1.158 58.610 58.000 -0.913 0.000 1.307 207 F CB -0.406 37.620 39.000 -1.623 0.000 1.019 207 F HN 0.173 nan 8.300 nan 0.000 0.489 208 I N -3.146 117.380 120.570 -0.073 0.000 2.957 208 I HA 0.378 4.601 4.170 0.088 0.000 0.310 208 I C 0.488 176.743 176.117 0.229 0.000 1.063 208 I CA -0.825 60.553 61.300 0.130 0.000 1.033 208 I CB 1.812 39.944 38.000 0.220 0.000 1.230 208 I HN -0.143 nan 8.210 nan 0.000 0.447 209 Q N 0.303 120.242 119.800 0.232 0.000 2.297 209 Q HA 0.138 4.531 4.340 0.088 0.000 0.203 209 Q C -0.296 175.869 176.000 0.275 0.000 0.931 209 Q CA 0.628 56.608 55.803 0.294 0.000 0.885 209 Q CB 0.472 29.444 28.738 0.390 0.000 0.991 209 Q HN 0.655 nan 8.270 nan 0.000 0.498 210 D N -1.261 119.274 120.400 0.225 0.000 2.498 210 D HA 0.313 5.006 4.640 0.088 0.000 0.247 210 D C -0.045 176.374 176.300 0.198 0.000 1.070 210 D CA -0.232 53.869 54.000 0.169 0.000 0.842 210 D CB 1.870 42.740 40.800 0.118 0.000 1.361 210 D HN 0.021 nan 8.370 nan 0.000 0.484 211 A N 3.107 126.015 122.820 0.147 0.000 2.024 211 A HA -0.228 4.145 4.320 0.088 0.000 0.220 211 A C 1.792 179.489 177.584 0.188 0.000 1.164 211 A CA 1.717 53.837 52.037 0.137 0.000 0.643 211 A CB -0.782 18.246 19.000 0.047 0.000 0.806 211 A HN 0.819 nan 8.150 nan 0.000 0.451 212 H N 0.038 119.162 119.070 0.089 0.000 2.422 212 H HA -0.026 4.583 4.556 0.088 0.000 0.298 212 H C 1.511 176.913 175.328 0.122 0.000 1.098 212 H CA 1.905 58.000 56.048 0.079 0.000 1.315 212 H CB 0.095 29.881 29.762 0.039 0.000 1.382 212 H HN 0.380 nan 8.280 nan 0.000 0.523 213 K N -0.485 120.067 120.400 0.252 0.000 2.404 213 K HA -0.038 4.335 4.320 0.088 0.000 0.194 213 K C 1.182 177.931 176.600 0.248 0.000 1.023 213 K CA -0.084 56.346 56.287 0.238 0.000 1.094 213 K CB 0.115 32.802 32.500 0.311 0.000 0.841 213 K HN 0.252 nan 8.250 nan 0.000 0.523 214 F N 3.164 123.176 119.950 0.103 0.000 2.126 214 F HA -0.115 4.464 4.527 0.087 0.000 0.299 214 F C -1.077 174.737 175.800 0.023 0.000 1.096 214 F CA 0.976 59.057 58.000 0.135 0.000 1.255 214 F CB -0.673 38.394 39.000 0.112 0.000 0.997 214 F HN 0.020 nan 8.300 nan 0.000 0.479 215 P HA -0.121 nan 4.420 nan 0.000 0.217 215 P C 1.227 178.228 177.300 -0.500 0.000 1.150 215 P CA 1.721 64.596 63.100 -0.376 0.000 0.832 215 P CB -0.054 31.432 31.700 -0.358 0.000 0.787 216 D N -1.000 119.246 120.400 -0.257 0.000 2.078 216 D HA -0.169 4.523 4.640 0.088 0.000 0.193 216 D C 1.832 177.842 176.300 -0.483 0.000 0.990 216 D CA 1.078 54.955 54.000 -0.204 0.000 0.827 216 D CB -0.940 39.916 40.800 0.094 0.000 0.975 216 D HN 0.099 nan 8.370 nan 0.000 0.451 217 F N 2.091 121.620 119.950 -0.701 0.000 2.065 217 F HA -0.252 4.327 4.527 0.088 0.000 0.298 217 F C 2.296 177.721 175.800 -0.625 0.000 1.112 217 F CA 1.271 58.687 58.000 -0.973 0.000 1.212 217 F CB -0.420 38.250 39.000 -0.550 0.000 0.975 217 F HN -0.236 nan 8.300 nan 0.000 0.476 218 V N 0.174 119.698 119.914 -0.651 0.000 2.358 218 V HA -0.321 3.851 4.120 0.088 0.000 0.246 218 V C 2.357 178.255 176.094 -0.327 0.000 1.047 218 V CA 2.351 64.313 62.300 -0.562 0.000 1.035 218 V CB -1.046 30.454 31.823 -0.538 0.000 0.658 218 V HN 0.474 nan 8.190 nan 0.000 0.452 219 H N -0.058 118.786 119.070 -0.376 0.000 2.352 219 H HA -0.189 4.419 4.556 0.088 0.000 0.299 219 H C 2.356 177.528 175.328 -0.260 0.000 1.097 219 H CA 1.209 57.109 56.048 -0.246 0.000 1.311 219 H CB -0.007 29.659 29.762 -0.161 0.000 1.377 219 H HN 0.486 nan 8.280 nan 0.000 0.504 220 A N 0.466 123.115 122.820 -0.285 0.000 1.933 220 A HA -0.134 4.239 4.320 0.088 0.000 0.218 220 A C 2.566 180.001 177.584 -0.248 0.000 1.175 220 A CA 1.519 53.381 52.037 -0.291 0.000 0.628 220 A CB -0.823 17.883 19.000 -0.491 0.000 0.814 220 A HN 0.305 nan 8.150 nan 0.000 0.444 221 V N -0.066 119.586 119.914 -0.435 0.000 2.488 221 V HA -0.045 4.128 4.120 0.088 0.000 0.246 221 V C 1.042 177.109 176.094 -0.045 0.000 1.046 221 V CA 1.068 63.182 62.300 -0.311 0.000 1.053 221 V CB -0.475 30.980 31.823 -0.612 0.000 0.679 221 V HN 0.376 nan 8.190 nan 0.000 0.458 222 K N 0.775 121.107 120.400 -0.113 0.000 2.187 222 K HA 0.197 4.569 4.320 0.088 0.000 0.247 222 K C -2.245 174.296 176.600 -0.097 0.000 1.019 222 K CA -1.502 54.724 56.287 -0.103 0.000 0.893 222 K CB -0.454 31.971 32.500 -0.125 0.000 1.025 222 K HN 0.184 nan 8.250 nan 0.000 0.500 223 P HA -0.029 nan 4.420 nan 0.000 0.265 223 P C -0.500 176.733 177.300 -0.112 0.000 1.187 223 P CA 0.438 63.395 63.100 -0.239 0.000 0.766 223 P CB 0.364 31.933 31.700 -0.218 0.000 0.820 224 E N 4.962 125.150 120.200 -0.021 0.000 2.398 224 E HA -0.008 4.394 4.350 0.088 0.000 0.263 224 E C -1.228 175.421 176.600 0.081 0.000 1.046 224 E CA -1.268 55.213 56.400 0.135 0.000 0.908 224 E CB 0.094 29.990 29.700 0.327 0.000 0.963 224 E HN 0.429 nan 8.360 nan 0.000 0.431 225 P HA -0.196 nan 4.420 nan 0.000 0.221 225 P C 0.986 178.345 177.300 0.098 0.000 1.150 225 P CA 1.387 64.516 63.100 0.049 0.000 0.800 225 P CB 0.046 31.758 31.700 0.021 0.000 0.787 226 H N -0.901 118.200 119.070 0.052 0.000 2.333 226 H HA -0.066 4.543 4.556 0.088 0.000 0.302 226 H C 1.476 176.903 175.328 0.165 0.000 1.075 226 H CA 1.374 57.444 56.048 0.038 0.000 1.348 226 H CB -1.263 28.453 29.762 -0.076 0.000 1.393 226 H HN 0.306 nan 8.280 nan 0.000 0.509 227 W N 0.040 120.994 121.300 -0.578 0.000 2.870 227 W HA 0.695 5.408 4.660 0.088 0.000 0.358 227 W C 0.480 176.837 176.519 -0.271 0.000 1.043 227 W CA -1.121 56.008 57.345 -0.361 0.000 1.692 227 W CB -0.724 28.486 29.460 -0.415 0.000 1.100 227 W HN 0.411 nan 8.180 nan 0.000 0.557 228 A N 1.327 124.121 122.820 -0.044 0.000 2.687 228 A HA -0.159 4.213 4.320 0.088 0.000 0.299 228 A C -0.368 176.991 177.584 -0.375 0.000 1.497 228 A CA 1.490 53.423 52.037 -0.173 0.000 0.751 228 A CB -2.417 16.509 19.000 -0.124 0.000 1.048 228 A HN 0.467 nan 8.150 nan 0.000 0.464 229 I N 0.325 120.521 120.570 -0.624 0.000 2.647 229 I HA 0.572 4.795 4.170 0.088 0.000 0.295 229 I C -2.500 173.302 176.117 -0.526 0.000 1.078 229 I CA -2.365 58.471 61.300 -0.773 0.000 1.048 229 I CB 2.996 40.046 38.000 -1.584 0.000 1.239 229 I HN 0.204 nan 8.210 nan 0.000 0.421 230 P HA 0.333 nan 4.420 nan 0.000 0.292 230 P C -1.612 175.519 177.300 -0.282 0.000 1.308 230 P CA -0.918 61.955 63.100 -0.378 0.000 0.933 230 P CB 1.731 33.283 31.700 -0.246 0.000 1.217 231 Q N 0.706 120.386 119.800 -0.201 0.000 2.286 231 Q HA 0.474 4.866 4.340 0.088 0.000 0.257 231 Q C 1.134 177.090 176.000 -0.073 0.000 0.941 231 Q CA 1.126 56.850 55.803 -0.133 0.000 0.912 231 Q CB -0.407 28.265 28.738 -0.111 0.000 1.192 231 Q HN 0.817 nan 8.270 nan 0.000 0.410 232 G N 3.193 111.960 108.800 -0.055 0.000 2.225 232 G HA2 -0.304 3.708 3.960 0.088 0.000 0.267 232 G HA3 -0.304 3.708 3.960 0.088 0.000 0.267 232 G C -0.371 174.543 174.900 0.022 0.000 1.024 232 G CA 0.652 45.748 45.100 -0.007 0.000 0.784 232 G HN 0.545 nan 8.290 nan 0.000 0.507 233 Q N -1.110 118.689 119.800 -0.002 0.000 2.315 233 Q HA 0.539 4.932 4.340 0.088 0.000 0.273 233 Q C 0.686 176.704 176.000 0.030 0.000 1.053 233 Q CA -0.082 55.751 55.803 0.051 0.000 0.817 233 Q CB 1.785 30.590 28.738 0.111 0.000 1.326 233 Q HN 0.455 nan 8.270 nan 0.000 0.423 234 S N -0.508 115.119 115.700 -0.121 0.000 2.605 234 S HA 0.243 4.766 4.470 0.088 0.000 0.217 234 S C 0.750 175.294 174.600 -0.093 0.000 0.958 234 S CA -0.075 57.837 58.200 -0.480 0.000 0.919 234 S CB 0.368 62.747 63.200 -1.368 0.000 0.780 234 S HN 0.568 nan 8.310 nan 0.000 0.507 235 A N 2.175 125.151 122.820 0.260 0.000 3.118 235 A HA 0.551 4.924 4.320 0.088 0.000 0.256 235 A C 0.092 177.926 177.584 0.418 0.000 1.667 235 A CA -0.637 51.641 52.037 0.401 0.000 1.338 235 A CB -1.119 18.062 19.000 0.301 0.000 1.127 235 A HN 0.908 nan 8.150 nan 0.000 0.634 236 H N -3.857 115.414 119.070 0.334 0.000 3.014 236 H HA 0.517 5.126 4.556 0.088 0.000 0.337 236 H C -0.284 175.245 175.328 0.336 0.000 1.320 236 H CA -0.720 55.488 56.048 0.267 0.000 1.128 236 H CB 0.345 30.220 29.762 0.188 0.000 1.862 236 H HN 0.042 nan 8.280 nan 0.000 0.536 237 D N 0.221 120.788 120.400 0.277 0.000 2.116 237 D HA -0.202 4.491 4.640 0.088 0.000 0.193 237 D C 2.127 178.480 176.300 0.088 0.000 0.998 237 D CA 3.079 57.180 54.000 0.170 0.000 0.836 237 D CB -0.338 40.539 40.800 0.128 0.000 0.951 237 D HN 0.785 nan 8.370 nan 0.000 0.449 238 T N -1.705 112.887 114.554 0.062 0.000 2.867 238 T HA -0.189 4.214 4.350 0.088 0.000 0.268 238 T C 1.895 176.525 174.700 -0.117 0.000 1.057 238 T CA 0.626 62.732 62.100 0.010 0.000 1.136 238 T CB -0.654 68.268 68.868 0.090 0.000 0.874 238 T HN 0.152 nan 8.240 nan 0.000 0.466 239 F N 0.840 120.475 119.950 -0.525 0.000 2.075 239 F HA 0.086 4.665 4.527 0.088 0.000 0.297 239 F C 1.885 177.414 175.800 -0.452 0.000 1.113 239 F CA 0.734 58.352 58.000 -0.635 0.000 1.218 239 F CB -0.653 37.778 39.000 -0.948 0.000 0.984 239 F HN 0.148 nan 8.300 nan 0.000 0.472 240 W N 0.713 121.945 121.300 -0.114 0.000 2.425 240 W HA -0.124 4.589 4.660 0.088 0.000 0.277 240 W C 2.325 178.759 176.519 -0.141 0.000 1.231 240 W CA 1.088 58.353 57.345 -0.133 0.000 1.248 240 W CB -0.662 28.806 29.460 0.013 0.000 1.117 240 W HN 0.097 nan 8.180 nan 0.000 0.568 241 D N -0.545 119.885 120.400 0.049 0.000 2.087 241 D HA -0.305 4.387 4.640 0.088 0.000 0.192 241 D C 1.894 178.184 176.300 -0.017 0.000 0.993 241 D CA 1.639 55.651 54.000 0.021 0.000 0.828 241 D CB -0.666 40.155 40.800 0.036 0.000 0.968 241 D HN 0.181 nan 8.370 nan 0.000 0.448 242 Y N 0.502 120.689 120.300 -0.188 0.000 2.081 242 Y HA -0.256 4.347 4.550 0.088 0.000 0.280 242 Y C 2.337 178.100 175.900 -0.228 0.000 1.163 242 Y CA 1.816 59.793 58.100 -0.206 0.000 1.135 242 Y CB -0.527 37.767 38.460 -0.276 0.000 0.970 242 Y HN -0.090 nan 8.280 nan 0.000 0.498 243 V N 0.161 119.941 119.914 -0.224 0.000 2.287 243 V HA -0.368 3.804 4.120 0.088 0.000 0.248 243 V C 2.623 178.653 176.094 -0.105 0.000 1.053 243 V CA 2.300 64.466 62.300 -0.223 0.000 1.027 243 V CB -1.314 30.269 31.823 -0.400 0.000 0.646 243 V HN 0.682 nan 8.190 nan 0.000 0.447 244 S N -0.120 115.562 115.700 -0.030 0.000 2.419 244 S HA -0.121 4.402 4.470 0.088 0.000 0.235 244 S C 1.749 176.311 174.600 -0.063 0.000 1.019 244 S CA 1.605 59.808 58.200 0.005 0.000 0.982 244 S CB -0.520 62.711 63.200 0.052 0.000 0.789 244 S HN 0.567 nan 8.310 nan 0.000 0.490 245 L N -0.136 121.001 121.223 -0.144 0.000 2.585 245 L HA 0.302 4.695 4.340 0.088 0.000 0.226 245 L C 0.607 177.304 176.870 -0.288 0.000 1.113 245 L CA 0.197 54.926 54.840 -0.185 0.000 0.876 245 L CB 0.002 41.953 42.059 -0.181 0.000 1.072 245 L HN 0.266 nan 8.230 nan 0.000 0.468 246 Q N 0.073 119.658 119.800 -0.358 0.000 3.090 246 Q HA 0.228 4.621 4.340 0.088 0.000 0.241 246 Q C -1.951 173.820 176.000 -0.381 0.000 0.958 246 Q CA -1.442 54.105 55.803 -0.426 0.000 0.715 246 Q CB 1.551 29.919 28.738 -0.616 0.000 1.298 246 Q HN -0.024 nan 8.270 nan 0.000 0.468 247 P HA -0.230 nan 4.420 nan 0.000 0.221 247 P C 1.061 178.030 177.300 -0.552 0.000 1.145 247 P CA 1.190 64.005 63.100 -0.475 0.000 0.795 247 P CB 0.240 31.593 31.700 -0.579 0.000 0.775 248 E N 0.588 120.330 120.200 -0.763 0.000 2.219 248 E HA -0.202 4.201 4.350 0.088 0.000 0.198 248 E C 1.431 177.982 176.600 -0.082 0.000 0.998 248 E CA 1.901 58.131 56.400 -0.284 0.000 0.818 248 E CB -1.330 28.280 29.700 -0.150 0.000 0.741 248 E HN 0.298 nan 8.360 nan 0.000 0.477 249 T N -0.785 113.727 114.554 -0.069 0.000 3.072 249 T HA 0.026 4.428 4.350 0.088 0.000 0.266 249 T C 1.902 176.671 174.700 0.115 0.000 1.127 249 T CA 0.437 62.569 62.100 0.053 0.000 1.107 249 T CB -0.300 68.642 68.868 0.123 0.000 0.910 249 T HN 0.157 nan 8.240 nan 0.000 0.513 250 L N 0.036 121.323 121.223 0.107 0.000 2.083 250 L HA -0.066 4.326 4.340 0.088 0.000 0.209 250 L C 2.829 179.870 176.870 0.285 0.000 1.083 250 L CA 1.785 56.759 54.840 0.223 0.000 0.752 250 L CB -0.797 41.395 42.059 0.222 0.000 0.899 250 L HN 0.468 nan 8.230 nan 0.000 0.433 251 H N 0.135 119.257 119.070 0.087 0.000 2.267 251 H HA -0.220 4.388 4.556 0.088 0.000 0.297 251 H C 2.210 177.560 175.328 0.036 0.000 1.080 251 H CA 1.940 58.042 56.048 0.089 0.000 1.278 251 H CB 0.184 29.968 29.762 0.036 0.000 1.365 251 H HN 0.365 nan 8.280 nan 0.000 0.489 252 N N -0.288 118.268 118.700 -0.240 0.000 2.166 252 N HA -0.141 4.652 4.740 0.088 0.000 0.186 252 N C 1.977 177.377 175.510 -0.183 0.000 1.019 252 N CA 0.882 53.588 53.050 -0.573 0.000 0.856 252 N CB 0.218 37.839 38.487 -1.443 0.000 0.993 252 N HN 0.119 nan 8.380 nan 0.000 0.426 253 V N 1.650 121.654 119.914 0.151 0.000 2.392 253 V HA -0.257 3.916 4.120 0.088 0.000 0.249 253 V C 2.438 178.702 176.094 0.284 0.000 1.059 253 V CA 1.268 63.789 62.300 0.369 0.000 1.051 253 V CB -0.356 31.736 31.823 0.448 0.000 0.658 253 V HN 0.419 nan 8.190 nan 0.000 0.455 254 M N -1.780 118.016 119.600 0.326 0.000 2.117 254 M HA -0.200 4.333 4.480 0.088 0.000 0.262 254 M C 2.090 178.438 176.300 0.080 0.000 1.065 254 M CA 1.866 57.368 55.300 0.337 0.000 1.114 254 M CB -1.123 31.699 32.600 0.371 0.000 1.361 254 M HN 0.465 nan 8.290 nan 0.000 0.408 255 W N 0.553 121.622 121.300 -0.384 0.000 2.358 255 W HA -0.100 4.612 4.660 0.088 0.000 0.303 255 W C 2.776 179.253 176.519 -0.070 0.000 1.208 255 W CA 1.831 58.928 57.345 -0.413 0.000 1.274 255 W CB -0.847 28.293 29.460 -0.534 0.000 1.138 255 W HN 0.277 nan 8.180 nan 0.000 0.515 256 A N -0.798 122.132 122.820 0.184 0.000 1.969 256 A HA -0.163 4.209 4.320 0.088 0.000 0.218 256 A C 1.930 179.578 177.584 0.107 0.000 1.169 256 A CA 1.499 53.642 52.037 0.176 0.000 0.635 256 A CB -0.526 18.616 19.000 0.237 0.000 0.810 256 A HN 0.100 nan 8.150 nan 0.000 0.445 257 M N 0.651 120.276 119.600 0.041 0.000 2.447 257 M HA 0.017 4.549 4.480 0.088 0.000 0.264 257 M C 1.527 177.867 176.300 0.066 0.000 1.095 257 M CA 0.821 56.072 55.300 -0.082 0.000 1.125 257 M CB -1.310 30.998 32.600 -0.487 0.000 1.389 257 M HN 0.547 nan 8.290 nan 0.000 0.459 258 S N 0.455 116.266 115.700 0.184 0.000 2.617 258 S HA 0.040 4.563 4.470 0.088 0.000 0.255 258 S C 0.743 175.475 174.600 0.219 0.000 1.318 258 S CA -0.294 58.053 58.200 0.245 0.000 0.978 258 S CB 0.695 64.094 63.200 0.331 0.000 0.961 258 S HN 0.206 nan 8.310 nan 0.000 0.582 259 D N 0.079 120.626 120.400 0.245 0.000 2.371 259 D HA 0.040 4.732 4.640 0.088 0.000 0.221 259 D C 1.908 178.359 176.300 0.251 0.000 0.986 259 D CA 0.291 54.454 54.000 0.272 0.000 0.899 259 D CB -0.167 40.859 40.800 0.377 0.000 0.902 259 D HN 0.358 nan 8.370 nan 0.000 0.530 260 R N 0.319 120.965 120.500 0.244 0.000 2.127 260 R HA -0.056 4.336 4.340 0.088 0.000 0.238 260 R C 1.985 178.451 176.300 0.277 0.000 1.134 260 R CA 1.042 57.312 56.100 0.283 0.000 0.975 260 R CB -0.876 29.662 30.300 0.396 0.000 0.865 260 R HN 0.174 nan 8.270 nan 0.000 0.447 261 G N 1.135 110.084 108.800 0.248 0.000 3.026 261 G HA2 0.075 4.087 3.960 0.088 0.000 0.208 261 G HA3 0.075 4.087 3.960 0.088 0.000 0.208 261 G C 0.872 175.922 174.900 0.250 0.000 1.169 261 G CA -0.076 45.165 45.100 0.235 0.000 0.788 261 G HN 0.394 nan 8.290 nan 0.000 0.533 262 I N -2.231 118.495 120.570 0.261 0.000 2.917 262 I HA 0.343 4.566 4.170 0.088 0.000 0.292 262 I C -2.866 173.414 176.117 0.272 0.000 1.510 262 I CA -2.558 58.904 61.300 0.270 0.000 0.858 262 I CB 1.738 39.900 38.000 0.269 0.000 1.862 262 I HN -0.261 nan 8.210 nan 0.000 0.615 263 P HA 0.074 nan 4.420 nan 0.000 0.269 263 P C 0.571 178.015 177.300 0.239 0.000 1.209 263 P CA -0.133 63.088 63.100 0.200 0.000 0.776 263 P CB 1.355 33.115 31.700 0.100 0.000 0.876 264 R N 2.602 123.221 120.500 0.198 0.000 2.081 264 R HA -0.050 4.343 4.340 0.088 0.000 0.235 264 R C 0.531 176.968 176.300 0.229 0.000 1.131 264 R CA 1.906 58.167 56.100 0.269 0.000 0.960 264 R CB -0.548 29.885 30.300 0.221 0.000 0.856 264 R HN 0.689 nan 8.270 nan 0.000 0.436 265 S N -3.501 112.129 115.700 -0.118 0.000 2.611 265 S HA 0.202 4.725 4.470 0.088 0.000 0.268 265 S C 0.003 174.271 174.600 -0.554 0.000 1.156 265 S CA -0.770 57.121 58.200 -0.515 0.000 0.817 265 S CB -0.129 62.933 63.200 -0.230 0.000 1.122 265 S HN 0.047 nan 8.310 nan 0.000 0.466 266 Y N 0.915 120.838 120.300 -0.628 0.000 2.333 266 Y HA 0.118 4.721 4.550 0.087 0.000 0.290 266 Y C 2.645 178.224 175.900 -0.535 0.000 1.144 266 Y CA 1.404 59.046 58.100 -0.765 0.000 1.228 266 Y CB -0.443 37.176 38.460 -1.401 0.000 0.985 266 Y HN 0.745 nan 8.280 nan 0.000 0.542 267 R N 0.394 120.758 120.500 -0.227 0.000 2.241 267 R HA -0.093 4.299 4.340 0.088 0.000 0.224 267 R C 0.623 176.862 176.300 -0.101 0.000 1.101 267 R CA 1.583 57.597 56.100 -0.143 0.000 0.995 267 R CB -0.161 30.059 30.300 -0.133 0.000 0.870 267 R HN 0.383 nan 8.270 nan 0.000 0.463 268 T N -1.995 112.523 114.554 -0.060 0.000 3.355 268 T HA 0.273 4.676 4.350 0.088 0.000 0.276 268 T C 0.142 174.877 174.700 0.059 0.000 1.003 268 T CA -0.777 61.319 62.100 -0.006 0.000 0.943 268 T CB -0.058 68.796 68.868 -0.023 0.000 1.158 268 T HN 0.175 nan 8.240 nan 0.000 0.513 269 M N -1.025 118.651 119.600 0.127 0.000 2.690 269 M HA 0.750 5.283 4.480 0.088 0.000 0.302 269 M C -1.016 175.463 176.300 0.297 0.000 1.234 269 M CA -0.886 54.535 55.300 0.203 0.000 0.853 269 M CB 2.084 34.805 32.600 0.201 0.000 1.748 269 M HN -0.135 nan 8.290 nan 0.000 0.469 270 E N 0.214 120.586 120.200 0.286 0.000 2.312 270 E HA 0.686 5.088 4.350 0.088 0.000 0.259 270 E C -0.375 176.309 176.600 0.140 0.000 1.122 270 E CA -0.652 55.854 56.400 0.177 0.000 0.922 270 E CB 1.655 31.384 29.700 0.048 0.000 1.109 270 E HN 0.866 nan 8.360 nan 0.000 0.442 271 G N 0.491 109.170 108.800 -0.202 0.000 2.620 271 G HA2 0.622 4.635 3.960 0.088 0.000 0.301 271 G HA3 0.622 4.635 3.960 0.088 0.000 0.301 271 G C -1.583 172.880 174.900 -0.727 0.000 1.347 271 G CA -0.447 44.498 45.100 -0.258 0.000 0.971 271 G HN 0.259 nan 8.290 nan 0.000 0.488 272 F N -0.373 119.495 119.950 -0.136 0.000 2.619 272 F HA 0.519 5.099 4.527 0.087 0.000 0.308 272 F C 1.105 176.802 175.800 -0.172 0.000 1.097 272 F CA -0.349 57.509 58.000 -0.236 0.000 0.953 272 F CB 2.492 41.313 39.000 -0.300 0.000 1.287 272 F HN 0.618 nan 8.300 nan 0.000 0.446 273 G N 0.846 109.703 108.800 0.096 0.000 2.511 273 G HA2 0.088 4.100 3.960 0.088 0.000 0.217 273 G HA3 0.088 4.100 3.960 0.088 0.000 0.217 273 G C 1.254 176.209 174.900 0.091 0.000 1.133 273 G CA 0.933 46.152 45.100 0.198 0.000 0.792 273 G HN 0.777 nan 8.290 nan 0.000 0.539 274 I N -1.066 119.473 120.570 -0.052 0.000 4.624 274 I HA -0.325 3.897 4.170 0.088 0.000 0.049 274 I C 0.550 176.512 176.117 -0.258 0.000 0.621 274 I CA 1.558 62.696 61.300 -0.270 0.000 0.836 274 I CB -1.265 36.466 38.000 -0.448 0.000 0.765 274 I HN 0.264 nan 8.210 nan 0.000 0.159 275 H N 2.386 121.450 119.070 -0.010 0.000 2.771 275 H HA 0.202 4.811 4.556 0.087 0.000 0.364 275 H C 0.134 175.363 175.328 -0.166 0.000 1.133 275 H CA 0.576 56.524 56.048 -0.166 0.000 1.423 275 H CB 0.297 29.800 29.762 -0.431 0.000 1.425 275 H HN 0.209 nan 8.280 nan 0.000 0.606 276 T N 3.983 118.484 114.554 -0.089 0.000 2.779 276 T HA 0.200 4.603 4.350 0.088 0.000 0.296 276 T C 0.255 174.845 174.700 -0.184 0.000 0.938 276 T CA 0.086 62.125 62.100 -0.101 0.000 1.119 276 T CB -0.198 68.587 68.868 -0.138 0.000 0.891 276 T HN 0.227 nan 8.240 nan 0.000 0.526 277 F N 1.381 121.289 119.950 -0.070 0.000 2.629 277 F HA 0.660 5.239 4.527 0.087 0.000 0.386 277 F C 1.055 176.810 175.800 -0.074 0.000 1.135 277 F CA -1.263 56.722 58.000 -0.024 0.000 1.116 277 F CB 1.288 40.252 39.000 -0.059 0.000 1.426 277 F HN 0.214 nan 8.300 nan 0.000 0.501 278 R N 0.369 120.935 120.500 0.109 0.000 2.803 278 R HA 0.676 5.068 4.340 0.088 0.000 0.276 278 R C -1.654 174.537 176.300 -0.181 0.000 0.978 278 R CA -0.923 55.105 56.100 -0.118 0.000 0.939 278 R CB 2.013 32.175 30.300 -0.230 0.000 1.179 278 R HN 0.428 nan 8.270 nan 0.000 0.472 279 L N 3.317 124.383 121.223 -0.262 0.000 2.329 279 L HA 0.543 4.936 4.340 0.088 0.000 0.279 279 L C -0.647 176.069 176.870 -0.257 0.000 1.014 279 L CA -0.915 53.780 54.840 -0.242 0.000 0.814 279 L CB 1.556 43.478 42.059 -0.227 0.000 1.257 279 L HN 0.385 nan 8.230 nan 0.000 0.424 280 I N 3.002 123.443 120.570 -0.216 0.000 2.418 280 I HA 0.279 4.502 4.170 0.088 0.000 0.287 280 I C -0.287 175.742 176.117 -0.147 0.000 1.008 280 I CA -0.669 60.505 61.300 -0.209 0.000 1.104 280 I CB 1.431 39.311 38.000 -0.200 0.000 1.264 280 I HN 0.615 nan 8.210 nan 0.000 0.438 281 N N 4.898 123.524 118.700 -0.125 0.000 2.538 281 N HA 0.418 5.211 4.740 0.088 0.000 0.292 281 N C 0.834 176.302 175.510 -0.070 0.000 1.262 281 N CA -0.427 52.570 53.050 -0.088 0.000 0.976 281 N CB 0.556 39.000 38.487 -0.072 0.000 1.161 281 N HN 0.501 nan 8.380 nan 0.000 0.598 282 A N -0.701 122.087 122.820 -0.053 0.000 2.015 282 A HA -0.097 4.276 4.320 0.088 0.000 0.219 282 A C 1.404 178.967 177.584 -0.035 0.000 1.163 282 A CA 1.266 53.278 52.037 -0.041 0.000 0.646 282 A CB -0.735 18.247 19.000 -0.030 0.000 0.806 282 A HN 0.725 nan 8.150 nan 0.000 0.448 283 E N -1.344 118.836 120.200 -0.034 0.000 2.481 283 E HA 0.278 4.680 4.350 0.088 0.000 0.195 283 E C 1.264 177.852 176.600 -0.019 0.000 1.047 283 E CA 0.764 57.149 56.400 -0.025 0.000 0.867 283 E CB -0.143 29.543 29.700 -0.023 0.000 0.858 283 E HN 0.741 nan 8.360 nan 0.000 0.513 284 G N 0.970 109.755 108.800 -0.025 0.000 2.175 284 G HA2 -0.347 3.665 3.960 0.088 0.000 0.244 284 G HA3 -0.347 3.665 3.960 0.088 0.000 0.244 284 G C 0.299 175.209 174.900 0.016 0.000 0.982 284 G CA 0.184 45.286 45.100 0.004 0.000 0.641 284 G HN 0.270 nan 8.290 nan 0.000 0.527 285 K N 0.982 121.355 120.400 -0.044 0.000 2.322 285 K HA 0.644 5.016 4.320 0.088 0.000 0.283 285 K C 0.662 177.122 176.600 -0.234 0.000 1.042 285 K CA 0.246 56.479 56.287 -0.090 0.000 0.958 285 K CB 0.507 32.958 32.500 -0.081 0.000 0.984 285 K HN 0.572 nan 8.250 nan 0.000 0.473 286 A N 3.540 126.110 122.820 -0.417 0.000 2.309 286 A HA 0.384 4.757 4.320 0.088 0.000 0.298 286 A C -0.674 176.593 177.584 -0.528 0.000 1.165 286 A CA -0.434 51.195 52.037 -0.680 0.000 0.821 286 A CB 1.011 19.179 19.000 -1.387 0.000 1.102 286 A HN 0.724 nan 8.150 nan 0.000 0.500 287 T N 2.518 116.798 114.554 -0.457 0.000 2.824 287 T HA 0.525 4.927 4.350 0.088 0.000 0.282 287 T C -0.550 173.925 174.700 -0.375 0.000 0.993 287 T CA -0.082 61.800 62.100 -0.363 0.000 0.967 287 T CB 0.383 69.133 68.868 -0.197 0.000 0.960 287 T HN 0.346 nan 8.240 nan 0.000 0.441 288 F N 2.148 122.007 119.950 -0.152 0.000 2.506 288 F HA 0.494 5.074 4.527 0.087 0.000 0.351 288 F C 0.621 176.307 175.800 -0.189 0.000 1.136 288 F CA -0.277 57.630 58.000 -0.155 0.000 1.298 288 F CB 0.571 39.502 39.000 -0.115 0.000 1.145 288 F HN 0.190 nan 8.300 nan 0.000 0.593 289 V N 4.377 124.257 119.914 -0.057 0.000 2.932 289 V HA 0.571 4.743 4.120 0.088 0.000 0.307 289 V C -1.082 174.799 176.094 -0.355 0.000 1.147 289 V CA -0.793 61.331 62.300 -0.294 0.000 0.951 289 V CB 2.117 33.553 31.823 -0.644 0.000 1.031 289 V HN 0.772 nan 8.190 nan 0.000 0.426 290 R N 4.795 125.139 120.500 -0.259 0.000 2.494 290 R HA 0.581 4.973 4.340 0.088 0.000 0.305 290 R C -1.574 174.662 176.300 -0.106 0.000 0.959 290 R CA -0.446 55.541 56.100 -0.188 0.000 0.864 290 R CB 1.930 32.229 30.300 -0.002 0.000 1.159 290 R HN 0.600 nan 8.270 nan 0.000 0.446 291 F N 2.266 122.266 119.950 0.083 0.000 2.385 291 F HA 0.369 4.948 4.527 0.088 0.000 0.336 291 F C 0.961 176.710 175.800 -0.084 0.000 1.100 291 F CA -0.084 57.937 58.000 0.035 0.000 1.116 291 F CB 0.874 39.792 39.000 -0.138 0.000 1.166 291 F HN 0.232 nan 8.300 nan 0.000 0.511 292 H N 0.698 119.782 119.070 0.022 0.000 2.851 292 H HA 0.256 4.865 4.556 0.088 0.000 0.372 292 H C -1.613 173.506 175.328 -0.348 0.000 1.158 292 H CA -1.059 54.892 56.048 -0.161 0.000 1.159 292 H CB 2.060 31.811 29.762 -0.020 0.000 1.757 292 H HN 0.669 nan 8.280 nan 0.000 0.546 293 W N 2.143 123.348 121.300 -0.159 0.000 2.600 293 W HA 0.311 5.024 4.660 0.088 0.000 0.325 293 W C -0.227 176.325 176.519 0.054 0.000 1.034 293 W CA -0.786 56.518 57.345 -0.068 0.000 1.226 293 W CB 1.904 31.159 29.460 -0.342 0.000 1.379 293 W HN 0.311 nan 8.180 nan 0.000 0.466 294 K N 5.878 126.552 120.400 0.456 0.000 2.265 294 K HA 0.382 4.755 4.320 0.088 0.000 0.267 294 K C -2.381 174.419 176.600 0.332 0.000 0.994 294 K CA -1.909 54.571 56.287 0.323 0.000 0.860 294 K CB 1.415 34.058 32.500 0.238 0.000 1.099 294 K HN 0.036 nan 8.250 nan 0.000 0.448 295 P HA 0.023 nan 4.420 nan 0.000 0.270 295 P C 0.374 177.657 177.300 -0.030 0.000 1.242 295 P CA -0.005 63.104 63.100 0.016 0.000 0.768 295 P CB 0.690 32.433 31.700 0.072 0.000 0.820 296 L N 2.894 124.052 121.223 -0.108 0.000 2.362 296 L HA -0.093 4.299 4.340 0.088 0.000 0.219 296 L C 2.232 179.076 176.870 -0.043 0.000 1.134 296 L CA 1.200 56.019 54.840 -0.035 0.000 0.807 296 L CB -0.613 41.436 42.059 -0.016 0.000 0.927 296 L HN 0.336 nan 8.230 nan 0.000 0.447 297 A N -0.033 122.735 122.820 -0.087 0.000 2.238 297 A HA 0.406 4.778 4.320 0.088 0.000 0.208 297 A C 1.236 178.812 177.584 -0.013 0.000 1.177 297 A CA 0.685 52.691 52.037 -0.052 0.000 0.804 297 A CB -0.340 18.614 19.000 -0.077 0.000 0.823 297 A HN 0.454 nan 8.150 nan 0.000 0.482 298 G N -0.657 108.146 108.800 0.005 0.000 2.707 298 G HA2 -0.114 3.899 3.960 0.088 0.000 0.686 298 G HA3 -0.114 3.899 3.960 0.088 0.000 0.686 298 G C -0.675 174.248 174.900 0.038 0.000 1.315 298 G CA -0.482 44.641 45.100 0.039 0.000 0.832 298 G HN 0.450 nan 8.290 nan 0.000 0.573 299 K N 0.129 120.561 120.400 0.052 0.000 2.205 299 K HA 0.709 5.081 4.320 0.088 0.000 0.279 299 K C 0.283 176.880 176.600 -0.004 0.000 1.027 299 K CA 0.288 56.593 56.287 0.030 0.000 0.932 299 K CB 1.672 34.178 32.500 0.010 0.000 1.032 299 K HN 1.510 nan 8.250 nan 0.000 0.466 300 A N 1.696 124.501 122.820 -0.024 0.000 2.555 300 A HA 0.554 4.927 4.320 0.088 0.000 0.297 300 A C -1.168 176.462 177.584 0.077 0.000 1.060 300 A CA -0.700 51.282 52.037 -0.091 0.000 0.710 300 A CB 1.658 20.375 19.000 -0.473 0.000 1.282 300 A HN 0.506 nan 8.150 nan 0.000 0.399 301 S N 0.690 116.589 115.700 0.332 0.000 2.632 301 S HA 0.754 5.277 4.470 0.088 0.000 0.289 301 S C 0.067 174.981 174.600 0.523 0.000 1.115 301 S CA -0.638 57.796 58.200 0.390 0.000 0.889 301 S CB 1.201 64.618 63.200 0.361 0.000 1.116 301 S HN 0.655 nan 8.310 nan 0.000 0.486 302 L N 1.228 122.657 121.223 0.343 0.000 2.475 302 L HA 0.492 4.885 4.340 0.088 0.000 0.212 302 L C 0.065 177.059 176.870 0.206 0.000 1.204 302 L CA -0.731 54.240 54.840 0.217 0.000 0.843 302 L CB 0.009 42.107 42.059 0.065 0.000 1.360 302 L HN 0.482 nan 8.230 nan 0.000 0.527 303 V N -3.351 116.590 119.914 0.044 0.000 2.769 303 V HA 0.166 4.339 4.120 0.088 0.000 0.312 303 V C 0.672 176.733 176.094 -0.056 0.000 1.058 303 V CA -0.835 61.461 62.300 -0.006 0.000 0.952 303 V CB 1.569 33.371 31.823 -0.035 0.000 1.019 303 V HN 0.916 nan 8.190 nan 0.000 0.445 304 W N 2.017 123.186 121.300 -0.218 0.000 2.318 304 W HA -0.250 4.463 4.660 0.087 0.000 0.313 304 W C 1.768 178.137 176.519 -0.250 0.000 1.221 304 W CA 2.616 59.826 57.345 -0.224 0.000 1.266 304 W CB -0.034 29.277 29.460 -0.249 0.000 1.150 304 W HN 1.007 nan 8.180 nan 0.000 0.496 305 D N 0.109 120.263 120.400 -0.410 0.000 2.144 305 D HA -0.277 4.415 4.640 0.088 0.000 0.199 305 D C 2.170 178.111 176.300 -0.598 0.000 0.984 305 D CA 1.968 55.681 54.000 -0.479 0.000 0.834 305 D CB -0.437 40.327 40.800 -0.059 0.000 0.955 305 D HN 0.378 nan 8.370 nan 0.000 0.465 306 E N -0.380 119.326 120.200 -0.823 0.000 2.072 306 E HA -0.152 4.250 4.350 0.088 0.000 0.190 306 E C 1.974 178.236 176.600 -0.564 0.000 0.982 306 E CA 0.921 56.784 56.400 -0.895 0.000 0.803 306 E CB -0.158 28.940 29.700 -1.003 0.000 0.755 306 E HN 0.294 nan 8.360 nan 0.000 0.453 307 A N 1.175 123.692 122.820 -0.506 0.000 1.898 307 A HA -0.217 4.155 4.320 0.088 0.000 0.216 307 A C 2.182 179.447 177.584 -0.532 0.000 1.181 307 A CA 1.568 53.355 52.037 -0.415 0.000 0.620 307 A CB -0.590 18.278 19.000 -0.219 0.000 0.819 307 A HN 0.383 nan 8.150 nan 0.000 0.442 308 Q N -0.265 119.029 119.800 -0.844 0.000 2.050 308 Q HA -0.186 4.206 4.340 0.088 0.000 0.202 308 Q C 2.011 177.741 176.000 -0.449 0.000 0.980 308 Q CA 1.781 57.102 55.803 -0.803 0.000 0.840 308 Q CB -0.113 27.883 28.738 -1.237 0.000 0.898 308 Q HN 0.683 nan 8.270 nan 0.000 0.424 309 K N 0.099 120.260 120.400 -0.400 0.000 2.097 309 K HA -0.163 4.210 4.320 0.088 0.000 0.206 309 K C 2.039 178.498 176.600 -0.236 0.000 1.049 309 K CA 0.828 56.966 56.287 -0.248 0.000 0.933 309 K CB -0.139 32.254 32.500 -0.178 0.000 0.717 309 K HN 0.129 nan 8.250 nan 0.000 0.442 310 L N 1.595 122.633 121.223 -0.308 0.000 2.191 310 L HA -0.162 4.231 4.340 0.088 0.000 0.212 310 L C 2.400 179.133 176.870 -0.229 0.000 1.103 310 L CA 1.964 56.616 54.840 -0.313 0.000 0.769 310 L CB -1.018 40.758 42.059 -0.472 0.000 0.908 310 L HN 0.352 nan 8.230 nan 0.000 0.438 311 T N -4.478 109.945 114.554 -0.218 0.000 2.803 311 T HA -0.103 4.300 4.350 0.088 0.000 0.269 311 T C 1.889 176.525 174.700 -0.108 0.000 1.052 311 T CA 1.098 63.111 62.100 -0.145 0.000 1.136 311 T CB -1.009 67.782 68.868 -0.128 0.000 0.864 311 T HN 0.364 nan 8.240 nan 0.000 0.467 312 G N 1.187 109.916 108.800 -0.118 0.000 2.408 312 G HA2 -0.018 3.994 3.960 0.088 0.000 0.213 312 G HA3 -0.018 3.994 3.960 0.088 0.000 0.213 312 G C 1.921 176.778 174.900 -0.072 0.000 1.177 312 G CA -0.179 44.870 45.100 -0.085 0.000 0.802 312 G HN 0.322 nan 8.290 nan 0.000 0.533 313 R N 0.261 120.709 120.500 -0.086 0.000 2.090 313 R HA 0.041 4.434 4.340 0.088 0.000 0.228 313 R C -0.108 176.167 176.300 -0.041 0.000 1.110 313 R CA 0.834 56.898 56.100 -0.061 0.000 0.973 313 R CB -0.217 30.040 30.300 -0.072 0.000 0.869 313 R HN 0.329 nan 8.270 nan 0.000 0.440 314 D N -0.399 119.971 120.400 -0.050 0.000 2.527 314 D HA 0.140 4.833 4.640 0.088 0.000 0.242 314 D C -2.105 174.200 176.300 0.008 0.000 1.285 314 D CA -1.733 52.271 54.000 0.007 0.000 0.886 314 D CB 1.286 42.137 40.800 0.085 0.000 1.402 314 D HN -0.125 nan 8.370 nan 0.000 0.528 315 P HA 0.017 nan 4.420 nan 0.000 0.234 315 P C -0.042 177.268 177.300 0.017 0.000 1.167 315 P CA 0.582 63.674 63.100 -0.014 0.000 0.763 315 P CB 0.512 32.200 31.700 -0.020 0.000 0.835 316 D N -1.337 119.085 120.400 0.037 0.000 2.525 316 D HA 0.068 4.761 4.640 0.088 0.000 0.229 316 D C 1.103 177.447 176.300 0.074 0.000 1.202 316 D CA -0.468 53.560 54.000 0.045 0.000 0.828 316 D CB -0.422 40.382 40.800 0.007 0.000 1.008 316 D HN 0.066 nan 8.370 nan 0.000 0.493 317 F N 1.490 121.393 119.950 -0.079 0.000 2.102 317 F HA -0.197 4.383 4.527 0.087 0.000 0.298 317 F C 2.090 177.880 175.800 -0.017 0.000 1.105 317 F CA 1.852 59.801 58.000 -0.085 0.000 1.239 317 F CB -0.109 38.789 39.000 -0.170 0.000 0.991 317 F HN 0.117 nan 8.300 nan 0.000 0.474 318 H N -1.193 117.789 119.070 -0.146 0.000 2.389 318 H HA -0.099 4.509 4.556 0.087 0.000 0.299 318 H C 2.398 177.638 175.328 -0.146 0.000 1.081 318 H CA 0.896 56.728 56.048 -0.359 0.000 1.345 318 H CB -0.070 29.333 29.762 -0.599 0.000 1.393 318 H HN 0.193 nan 8.280 nan 0.000 0.520 319 R N 1.231 121.832 120.500 0.168 0.000 2.075 319 R HA -0.111 4.281 4.340 0.088 0.000 0.232 319 R C 2.455 178.861 176.300 0.177 0.000 1.126 319 R CA 1.202 57.451 56.100 0.248 0.000 0.963 319 R CB 0.009 30.440 30.300 0.218 0.000 0.858 319 R HN 0.202 nan 8.270 nan 0.000 0.435 320 R N 0.310 120.838 120.500 0.047 0.000 2.066 320 R HA -0.109 4.284 4.340 0.088 0.000 0.232 320 R C 1.970 178.272 176.300 0.004 0.000 1.131 320 R CA 1.429 57.540 56.100 0.019 0.000 0.955 320 R CB -0.164 30.113 30.300 -0.038 0.000 0.851 320 R HN 0.218 nan 8.270 nan 0.000 0.432 321 E N 0.727 120.825 120.200 -0.169 0.000 2.085 321 E HA -0.206 4.196 4.350 0.088 0.000 0.194 321 E C 1.981 178.560 176.600 -0.036 0.000 0.994 321 E CA 1.171 57.452 56.400 -0.198 0.000 0.801 321 E CB -0.086 29.353 29.700 -0.434 0.000 0.743 321 E HN 0.264 nan 8.360 nan 0.000 0.453 322 L N 0.353 121.600 121.223 0.040 0.000 2.027 322 L HA -0.116 4.276 4.340 0.088 0.000 0.206 322 L C 2.183 179.160 176.870 0.180 0.000 1.074 322 L CA 1.683 56.589 54.840 0.111 0.000 0.745 322 L CB -0.780 41.399 42.059 0.201 0.000 0.898 322 L HN 0.267 nan 8.230 nan 0.000 0.433 323 W N 0.857 122.195 121.300 0.063 0.000 2.358 323 W HA -0.188 4.525 4.660 0.089 0.000 0.303 323 W C 2.159 178.711 176.519 0.056 0.000 1.208 323 W CA 2.036 59.430 57.345 0.081 0.000 1.274 323 W CB -0.018 29.494 29.460 0.086 0.000 1.138 323 W HN 0.350 nan 8.180 nan 0.000 0.515 324 E N -0.054 120.320 120.200 0.290 0.000 2.152 324 E HA -0.126 4.276 4.350 0.088 0.000 0.192 324 E C 2.364 179.000 176.600 0.060 0.000 0.983 324 E CA 1.018 57.512 56.400 0.158 0.000 0.818 324 E CB -0.292 29.463 29.700 0.092 0.000 0.758 324 E HN 0.169 nan 8.360 nan 0.000 0.467 325 A N 1.321 124.175 122.820 0.055 0.000 1.877 325 A HA -0.182 4.191 4.320 0.088 0.000 0.216 325 A C 2.156 179.772 177.584 0.053 0.000 1.186 325 A CA 1.101 53.164 52.037 0.043 0.000 0.620 325 A CB -0.575 18.450 19.000 0.042 0.000 0.822 325 A HN 0.139 nan 8.150 nan 0.000 0.443 326 I N -0.478 120.146 120.570 0.090 0.000 2.286 326 I HA -0.238 3.985 4.170 0.088 0.000 0.248 326 I C 2.423 178.616 176.117 0.127 0.000 1.115 326 I CA 1.437 62.848 61.300 0.186 0.000 1.392 326 I CB -0.386 37.647 38.000 0.055 0.000 1.065 326 I HN 0.430 nan 8.210 nan 0.000 0.418 327 E N 0.736 120.951 120.200 0.025 0.000 2.204 327 E HA -0.140 4.262 4.350 0.088 0.000 0.194 327 E C 2.131 178.741 176.600 0.017 0.000 0.989 327 E CA 1.052 57.473 56.400 0.034 0.000 0.824 327 E CB -0.036 29.709 29.700 0.075 0.000 0.756 327 E HN 0.493 nan 8.360 nan 0.000 0.477 328 A N 0.112 122.918 122.820 -0.023 0.000 2.169 328 A HA 0.217 4.589 4.320 0.088 0.000 0.212 328 A C 1.737 179.247 177.584 -0.124 0.000 1.153 328 A CA 0.900 52.898 52.037 -0.065 0.000 0.756 328 A CB -0.081 18.861 19.000 -0.096 0.000 0.813 328 A HN 0.321 nan 8.150 nan 0.000 0.471 329 G N -0.416 108.233 108.800 -0.253 0.000 2.141 329 G HA2 -0.190 3.823 3.960 0.088 0.000 0.242 329 G HA3 -0.190 3.823 3.960 0.088 0.000 0.242 329 G C -0.289 174.126 174.900 -0.808 0.000 0.982 329 G CA 0.217 44.865 45.100 -0.753 0.000 0.662 329 G HN 0.431 nan 8.290 nan 0.000 0.527 330 D N 1.135 121.318 120.400 -0.362 0.000 2.845 330 D HA 0.339 5.031 4.640 0.088 0.000 0.235 330 D C 0.497 176.752 176.300 -0.075 0.000 1.158 330 D CA -0.192 53.701 54.000 -0.178 0.000 0.990 330 D CB -0.437 40.356 40.800 -0.011 0.000 1.094 330 D HN 0.197 nan 8.370 nan 0.000 0.486 331 F N 1.158 121.116 119.950 0.013 0.000 2.538 331 F HA 0.185 4.764 4.527 0.087 0.000 0.371 331 F C -1.510 174.274 175.800 -0.026 0.000 1.087 331 F CA -2.612 55.390 58.000 0.004 0.000 1.250 331 F CB -0.452 38.563 39.000 0.026 0.000 1.110 331 F HN -0.059 nan 8.300 nan 0.000 0.570 332 P HA 0.037 nan 4.420 nan 0.000 0.263 332 P C -0.828 176.449 177.300 -0.038 0.000 1.195 332 P CA 0.324 63.429 63.100 0.008 0.000 0.762 332 P CB 0.403 32.183 31.700 0.132 0.000 0.799 333 E N 2.536 122.589 120.200 -0.244 0.000 2.222 333 E HA 0.443 4.846 4.350 0.088 0.000 0.267 333 E C -1.051 175.279 176.600 -0.450 0.000 0.884 333 E CA -0.591 55.703 56.400 -0.176 0.000 0.764 333 E CB 1.490 31.165 29.700 -0.043 0.000 1.169 333 E HN 0.371 nan 8.360 nan 0.000 0.413 334 Y N 0.343 120.701 120.300 0.096 0.000 2.477 334 Y HA 0.245 4.847 4.550 0.088 0.000 0.347 334 Y C -0.206 175.908 175.900 0.358 0.000 0.981 334 Y CA -0.978 57.247 58.100 0.208 0.000 1.033 334 Y CB 2.002 40.548 38.460 0.143 0.000 1.245 334 Y HN 0.478 nan 8.280 nan 0.000 0.455 335 E N 2.889 123.405 120.200 0.527 0.000 2.134 335 E HA 0.408 4.810 4.350 0.088 0.000 0.278 335 E C -1.414 175.489 176.600 0.505 0.000 0.959 335 E CA -0.971 55.704 56.400 0.459 0.000 0.783 335 E CB 1.052 30.953 29.700 0.336 0.000 1.095 335 E HN 0.621 nan 8.360 nan 0.000 0.399 336 L N 4.233 125.700 121.223 0.406 0.000 2.416 336 L HA 0.481 4.874 4.340 0.088 0.000 0.272 336 L C -0.059 176.770 176.870 -0.068 0.000 1.161 336 L CA 0.749 55.543 54.840 -0.076 0.000 0.845 336 L CB 0.977 42.926 42.059 -0.183 0.000 1.119 336 L HN 0.591 nan 8.230 nan 0.000 0.464 337 G N 3.658 112.423 108.800 -0.057 0.000 2.667 337 G HA2 0.603 4.616 3.960 0.088 0.000 0.298 337 G HA3 0.603 4.616 3.960 0.088 0.000 0.298 337 G C -1.789 173.260 174.900 0.249 0.000 1.377 337 G CA -0.432 44.668 45.100 0.000 0.000 0.964 337 G HN 0.284 nan 8.290 nan 0.000 0.493 338 F N 0.101 120.074 119.950 0.038 0.000 2.520 338 F HA 0.506 5.085 4.527 0.087 0.000 0.322 338 F C 0.375 176.175 175.800 -0.001 0.000 1.103 338 F CA -1.474 56.555 58.000 0.049 0.000 0.926 338 F CB 2.400 41.417 39.000 0.028 0.000 1.154 338 F HN 0.286 nan 8.300 nan 0.000 0.453 339 Q N 3.605 123.519 119.800 0.191 0.000 2.331 339 Q HA 0.552 4.945 4.340 0.088 0.000 0.257 339 Q C -1.092 174.953 176.000 0.075 0.000 0.957 339 Q CA -0.351 55.512 55.803 0.101 0.000 0.923 339 Q CB 1.753 30.557 28.738 0.111 0.000 1.212 339 Q HN 0.516 nan 8.270 nan 0.000 0.443 340 L N 4.522 125.795 121.223 0.083 0.000 2.313 340 L HA 0.590 4.982 4.340 0.088 0.000 0.283 340 L C -0.547 176.377 176.870 0.090 0.000 1.013 340 L CA -0.550 54.329 54.840 0.064 0.000 0.816 340 L CB 1.182 43.284 42.059 0.071 0.000 1.236 340 L HN 0.504 nan 8.230 nan 0.000 0.419 341 I N 4.672 125.313 120.570 0.119 0.000 2.447 341 I HA 0.369 4.592 4.170 0.088 0.000 0.287 341 I C -2.244 173.988 176.117 0.190 0.000 1.023 341 I CA -2.068 59.345 61.300 0.188 0.000 1.083 341 I CB 2.436 40.578 38.000 0.235 0.000 1.245 341 I HN 0.333 nan 8.210 nan 0.000 0.434 342 P HA 0.043 nan 4.420 nan 0.000 0.271 342 P C 0.484 177.847 177.300 0.105 0.000 1.218 342 P CA -0.042 63.092 63.100 0.057 0.000 0.780 342 P CB 0.983 32.705 31.700 0.036 0.000 0.901 343 E N 2.260 122.431 120.200 -0.047 0.000 2.097 343 E HA -0.262 4.141 4.350 0.088 0.000 0.196 343 E C 1.483 178.162 176.600 0.133 0.000 1.000 343 E CA 1.385 57.758 56.400 -0.045 0.000 0.804 343 E CB -0.015 29.582 29.700 -0.172 0.000 0.740 343 E HN 0.519 nan 8.360 nan 0.000 0.454 344 E N 0.123 120.370 120.200 0.078 0.000 2.418 344 E HA -0.177 4.225 4.350 0.088 0.000 0.197 344 E C 0.386 177.029 176.600 0.071 0.000 1.026 344 E CA 0.929 57.378 56.400 0.082 0.000 0.862 344 E CB 0.017 29.748 29.700 0.051 0.000 0.799 344 E HN 0.257 nan 8.360 nan 0.000 0.518 345 D N 1.280 121.723 120.400 0.072 0.000 2.342 345 D HA 0.007 4.699 4.640 0.088 0.000 0.221 345 D C 1.307 177.590 176.300 -0.029 0.000 1.101 345 D CA 0.045 54.049 54.000 0.007 0.000 0.837 345 D CB 0.183 41.001 40.800 0.031 0.000 0.938 345 D HN 0.411 nan 8.370 nan 0.000 0.508 346 E N -0.232 119.927 120.200 -0.069 0.000 2.097 346 E HA -0.200 4.203 4.350 0.088 0.000 0.196 346 E C 0.382 176.622 176.600 -0.600 0.000 1.000 346 E CA 1.127 57.271 56.400 -0.426 0.000 0.804 346 E CB 0.039 29.330 29.700 -0.680 0.000 0.740 346 E HN 0.230 nan 8.360 nan 0.000 0.454 347 F N -0.513 119.414 119.950 -0.039 0.000 2.684 347 F HA 0.280 4.860 4.527 0.088 0.000 0.298 347 F C 1.206 176.906 175.800 -0.168 0.000 1.120 347 F CA -0.298 57.655 58.000 -0.077 0.000 1.332 347 F CB 0.558 39.531 39.000 -0.046 0.000 0.986 347 F HN -0.192 nan 8.300 nan 0.000 0.524 348 K N 0.200 120.464 120.400 -0.226 0.000 2.432 348 K HA 0.113 4.485 4.320 0.088 0.000 0.196 348 K C -0.062 176.124 176.600 -0.691 0.000 1.038 348 K CA 0.437 56.435 56.287 -0.482 0.000 0.986 348 K CB -0.272 31.760 32.500 -0.780 0.000 0.782 348 K HN 0.076 nan 8.250 nan 0.000 0.485 349 F N -0.282 119.510 119.950 -0.263 0.000 2.461 349 F HA 0.199 4.779 4.527 0.088 0.000 0.332 349 F C 1.332 176.950 175.800 -0.304 0.000 1.073 349 F CA -0.934 56.818 58.000 -0.413 0.000 1.017 349 F CB 0.637 38.992 39.000 -1.074 0.000 1.301 349 F HN -0.192 nan 8.300 nan 0.000 0.492 350 D N 0.048 120.465 120.400 0.029 0.000 2.363 350 D HA 0.020 4.712 4.640 0.088 0.000 0.220 350 D C -0.282 176.132 176.300 0.190 0.000 0.994 350 D CA 0.881 54.962 54.000 0.136 0.000 0.890 350 D CB -0.182 40.782 40.800 0.273 0.000 0.906 350 D HN 0.247 nan 8.370 nan 0.000 0.530 351 F N -1.093 118.942 119.950 0.142 0.000 2.598 351 F HA 0.485 5.065 4.527 0.088 0.000 0.327 351 F C -0.110 175.685 175.800 -0.010 0.000 1.057 351 F CA -1.619 56.387 58.000 0.010 0.000 0.957 351 F CB 0.823 39.784 39.000 -0.065 0.000 1.278 351 F HN -0.406 nan 8.300 nan 0.000 0.484 352 D N 1.867 122.297 120.400 0.050 0.000 2.312 352 D HA 0.194 4.887 4.640 0.088 0.000 0.252 352 D C 1.037 177.283 176.300 -0.091 0.000 1.150 352 D CA -0.070 53.897 54.000 -0.056 0.000 0.870 352 D CB 1.408 42.167 40.800 -0.069 0.000 1.153 352 D HN 0.749 nan 8.370 nan 0.000 0.457 353 L N 3.474 124.590 121.223 -0.179 0.000 2.265 353 L HA -0.133 4.259 4.340 0.088 0.000 0.215 353 L C 1.950 178.696 176.870 -0.206 0.000 1.117 353 L CA 0.672 55.386 54.840 -0.209 0.000 0.782 353 L CB -0.149 41.645 42.059 -0.442 0.000 0.914 353 L HN 0.448 nan 8.230 nan 0.000 0.441 354 L N -0.841 120.278 121.223 -0.174 0.000 2.591 354 L HA 0.063 4.456 4.340 0.088 0.000 0.228 354 L C 0.394 177.190 176.870 -0.124 0.000 1.133 354 L CA -0.090 54.713 54.840 -0.062 0.000 0.880 354 L CB -0.298 41.837 42.059 0.127 0.000 1.033 354 L HN 0.099 nan 8.230 nan 0.000 0.450 355 D N 1.687 121.799 120.400 -0.480 0.000 2.359 355 D HA 0.135 4.828 4.640 0.088 0.000 0.230 355 D C -1.602 174.498 176.300 -0.333 0.000 1.118 355 D CA -2.367 51.156 54.000 -0.794 0.000 0.844 355 D CB 1.592 41.638 40.800 -1.257 0.000 1.059 355 D HN -0.092 nan 8.370 nan 0.000 0.493 356 P HA -0.034 nan 4.420 nan 0.000 0.242 356 P C 0.751 177.956 177.300 -0.158 0.000 1.197 356 P CA 0.545 63.578 63.100 -0.111 0.000 0.765 356 P CB -0.056 31.664 31.700 0.034 0.000 0.936 357 T N -4.279 110.178 114.554 -0.162 0.000 3.144 357 T HA 0.169 4.571 4.350 0.088 0.000 0.249 357 T C 0.677 175.284 174.700 -0.155 0.000 1.089 357 T CA -0.171 61.836 62.100 -0.154 0.000 0.989 357 T CB -0.166 68.667 68.868 -0.059 0.000 0.992 357 T HN -0.127 nan 8.240 nan 0.000 0.540 358 K N 2.058 122.284 120.400 -0.291 0.000 2.270 358 K HA 0.576 4.949 4.320 0.088 0.000 0.255 358 K C -0.420 175.995 176.600 -0.308 0.000 0.936 358 K CA -0.847 55.160 56.287 -0.467 0.000 0.809 358 K CB 2.320 34.395 32.500 -0.709 0.000 1.131 358 K HN 0.268 nan 8.250 nan 0.000 0.427 359 L N -0.374 120.811 121.223 -0.063 0.000 2.365 359 L HA 0.660 5.053 4.340 0.088 0.000 0.267 359 L C -0.056 176.623 176.870 -0.318 0.000 1.033 359 L CA -0.483 54.259 54.840 -0.162 0.000 0.802 359 L CB 0.291 42.324 42.059 -0.044 0.000 1.267 359 L HN 0.464 nan 8.230 nan 0.000 0.457 360 I N 1.226 121.699 120.570 -0.161 0.000 2.330 360 I HA 0.370 4.592 4.170 0.088 0.000 0.286 360 I C -2.157 173.966 176.117 0.009 0.000 1.025 360 I CA -1.668 59.589 61.300 -0.073 0.000 1.197 360 I CB 1.098 39.089 38.000 -0.015 0.000 1.358 360 I HN 0.435 nan 8.210 nan 0.000 0.467 361 P HA 0.012 nan 4.420 nan 0.000 0.264 361 P C 0.415 177.770 177.300 0.092 0.000 1.193 361 P CA 0.159 63.294 63.100 0.059 0.000 0.763 361 P CB 0.593 32.323 31.700 0.050 0.000 0.810 362 E N 1.954 122.219 120.200 0.108 0.000 2.265 362 E HA -0.203 4.200 4.350 0.088 0.000 0.196 362 E C 1.340 177.989 176.600 0.082 0.000 0.996 362 E CA 0.807 57.262 56.400 0.092 0.000 0.832 362 E CB 0.001 29.760 29.700 0.098 0.000 0.756 362 E HN 0.516 nan 8.360 nan 0.000 0.491 363 E N 0.276 120.526 120.200 0.083 0.000 2.268 363 E HA -0.126 4.276 4.350 0.088 0.000 0.195 363 E C 1.992 178.652 176.600 0.099 0.000 0.995 363 E CA 0.692 57.139 56.400 0.078 0.000 0.836 363 E CB 0.119 29.859 29.700 0.066 0.000 0.763 363 E HN 0.372 nan 8.360 nan 0.000 0.491 364 L N -0.432 120.867 121.223 0.128 0.000 2.253 364 L HA 0.065 4.458 4.340 0.088 0.000 0.205 364 L C 0.514 177.492 176.870 0.180 0.000 1.078 364 L CA 0.368 55.319 54.840 0.185 0.000 0.805 364 L CB 0.552 42.779 42.059 0.280 0.000 0.963 364 L HN -0.207 nan 8.230 nan 0.000 0.459 365 V N 0.912 120.904 119.914 0.130 0.000 2.462 365 V HA 0.326 4.498 4.120 0.088 0.000 0.288 365 V C -2.465 173.670 176.094 0.069 0.000 1.020 365 V CA -1.472 60.893 62.300 0.107 0.000 0.857 365 V CB 1.450 33.324 31.823 0.085 0.000 1.013 365 V HN -0.068 nan 8.190 nan 0.000 0.431 366 P HA 0.214 nan 4.420 nan 0.000 0.274 366 P C -0.301 176.999 177.300 -0.000 0.000 1.231 366 P CA -0.100 63.020 63.100 0.033 0.000 0.790 366 P CB 1.000 32.723 31.700 0.039 0.000 0.951 367 V N 3.034 122.918 119.914 -0.051 0.000 2.455 367 V HA 0.092 4.265 4.120 0.088 0.000 0.273 367 V C 0.810 176.893 176.094 -0.018 0.000 1.045 367 V CA 0.015 62.247 62.300 -0.113 0.000 0.976 367 V CB 0.203 31.869 31.823 -0.262 0.000 0.993 367 V HN 0.527 nan 8.190 nan 0.000 0.475 368 Q N 6.280 126.093 119.800 0.021 0.000 2.279 368 Q HA 0.302 4.694 4.340 0.088 0.000 0.256 368 Q C 0.413 176.417 176.000 0.005 0.000 0.937 368 Q CA -0.771 55.050 55.803 0.030 0.000 0.933 368 Q CB 0.699 29.470 28.738 0.055 0.000 1.189 368 Q HN 0.815 nan 8.270 nan 0.000 0.417 369 R N 2.245 122.770 120.500 0.040 0.000 2.537 369 R HA 0.085 4.477 4.340 0.088 0.000 0.280 369 R C -0.521 175.813 176.300 0.058 0.000 1.058 369 R CA -0.241 55.919 56.100 0.101 0.000 1.057 369 R CB 0.633 31.062 30.300 0.215 0.000 0.973 369 R HN 0.489 nan 8.270 nan 0.000 0.438 370 V N 1.692 121.564 119.914 -0.070 0.000 3.137 370 V HA 0.328 4.501 4.120 0.088 0.000 0.236 370 V C 0.847 176.715 176.094 -0.376 0.000 1.260 370 V CA 1.046 63.184 62.300 -0.269 0.000 1.244 370 V CB 0.767 32.168 31.823 -0.703 0.000 1.016 370 V HN 1.056 nan 8.190 nan 0.000 0.477 371 G N -0.356 108.143 108.800 -0.502 0.000 2.488 371 G HA2 0.515 4.528 3.960 0.088 0.000 0.301 371 G HA3 0.515 4.528 3.960 0.088 0.000 0.301 371 G C -1.867 172.674 174.900 -0.598 0.000 1.339 371 G CA -0.524 43.952 45.100 -1.040 0.000 0.803 371 G HN 0.057 nan 8.290 nan 0.000 0.482 372 K N -0.491 119.550 120.400 -0.597 0.000 2.316 372 K HA 0.757 5.130 4.320 0.088 0.000 0.251 372 K C -0.849 175.782 176.600 0.052 0.000 0.934 372 K CA -0.813 55.437 56.287 -0.062 0.000 0.802 372 K CB 2.045 34.551 32.500 0.010 0.000 1.171 372 K HN 0.587 nan 8.250 nan 0.000 0.426 373 M N 4.328 124.075 119.600 0.245 0.000 2.326 373 M HA 0.412 4.944 4.480 0.088 0.000 0.306 373 M C -1.860 174.425 176.300 -0.024 0.000 1.054 373 M CA -0.765 54.630 55.300 0.159 0.000 0.922 373 M CB 1.823 34.567 32.600 0.239 0.000 1.632 373 M HN 0.348 nan 8.290 nan 0.000 0.436 374 V N 5.519 125.266 119.914 -0.280 0.000 2.531 374 V HA 0.453 4.625 4.120 0.088 0.000 0.301 374 V C -0.984 175.012 176.094 -0.163 0.000 1.034 374 V CA -0.805 61.363 62.300 -0.221 0.000 0.865 374 V CB 1.769 33.362 31.823 -0.383 0.000 0.995 374 V HN 0.682 nan 8.190 nan 0.000 0.424 375 L N 6.047 127.245 121.223 -0.042 0.000 2.259 375 L HA 0.474 4.866 4.340 0.088 0.000 0.288 375 L C 0.785 177.566 176.870 -0.148 0.000 1.051 375 L CA 0.169 54.978 54.840 -0.053 0.000 0.824 375 L CB 0.845 42.922 42.059 0.030 0.000 1.206 375 L HN 0.863 nan 8.230 nan 0.000 0.429 376 N N 2.379 120.901 118.700 -0.296 0.000 2.197 376 N HA 0.140 4.933 4.740 0.088 0.000 0.228 376 N C 0.098 175.384 175.510 -0.374 0.000 1.212 376 N CA -0.221 52.370 53.050 -0.765 0.000 0.883 376 N CB 0.757 38.493 38.487 -1.250 0.000 1.107 376 N HN 0.368 nan 8.380 nan 0.000 0.519 377 R N 0.234 120.644 120.500 -0.151 0.000 2.548 377 R HA 0.325 4.717 4.340 0.088 0.000 0.280 377 R C -1.218 175.031 176.300 -0.085 0.000 1.061 377 R CA -0.586 55.451 56.100 -0.105 0.000 0.915 377 R CB 1.411 31.654 30.300 -0.094 0.000 1.210 377 R HN 0.055 nan 8.270 nan 0.000 0.442 378 N N 2.959 121.493 118.700 -0.278 0.000 2.483 378 N HA 0.321 5.114 4.740 0.088 0.000 0.269 378 N C -2.272 173.176 175.510 -0.103 0.000 1.209 378 N CA -1.333 51.420 53.050 -0.494 0.000 0.969 378 N CB 0.679 38.235 38.487 -1.552 0.000 1.173 378 N HN 0.301 nan 8.380 nan 0.000 0.475 379 P HA 0.127 nan 4.420 nan 0.000 0.274 379 P C 0.095 177.578 177.300 0.306 0.000 1.260 379 P CA -0.098 63.201 63.100 0.332 0.000 0.793 379 P CB 1.027 32.962 31.700 0.392 0.000 1.048 380 D N -1.255 119.298 120.400 0.255 0.000 2.201 380 D HA -0.016 4.677 4.640 0.088 0.000 0.209 380 D C 0.452 176.923 176.300 0.285 0.000 0.961 380 D CA 1.348 55.493 54.000 0.241 0.000 0.861 380 D CB 0.156 41.039 40.800 0.139 0.000 0.997 380 D HN 0.385 nan 8.370 nan 0.000 0.486 381 N N -0.194 118.666 118.700 0.267 0.000 2.410 381 N HA 0.003 4.796 4.740 0.088 0.000 0.287 381 N C 0.011 175.721 175.510 0.333 0.000 1.044 381 N CA -0.343 52.876 53.050 0.282 0.000 0.881 381 N CB 1.537 40.159 38.487 0.224 0.000 1.405 381 N HN -0.193 nan 8.380 nan 0.000 0.490 382 F N 4.695 124.785 119.950 0.233 0.000 2.075 382 F HA -0.127 4.452 4.527 0.086 0.000 0.297 382 F C 1.707 177.624 175.800 0.196 0.000 1.113 382 F CA 1.419 59.556 58.000 0.228 0.000 1.218 382 F CB -0.282 38.825 39.000 0.177 0.000 0.984 382 F HN 0.610 nan 8.300 nan 0.000 0.472 383 F N 0.975 121.176 119.950 0.417 0.000 2.043 383 F HA -0.224 4.364 4.527 0.101 0.000 0.297 383 F C 2.373 178.230 175.800 0.095 0.000 1.121 383 F CA 2.203 60.354 58.000 0.252 0.000 1.199 383 F CB -1.091 38.026 39.000 0.194 0.000 0.968 383 F HN 0.018 nan 8.300 nan 0.000 0.478 384 A N -0.564 122.377 122.820 0.202 0.000 1.902 384 A HA -0.171 4.201 4.320 0.088 0.000 0.217 384 A C 2.106 179.624 177.584 -0.110 0.000 1.181 384 A CA 2.005 54.082 52.037 0.067 0.000 0.623 384 A CB -0.720 18.377 19.000 0.162 0.000 0.818 384 A HN 0.608 nan 8.150 nan 0.000 0.443 385 E N -1.331 118.816 120.200 -0.088 0.000 2.099 385 E HA -0.035 4.368 4.350 0.088 0.000 0.191 385 E C 1.959 178.441 176.600 -0.196 0.000 0.962 385 E CA 0.757 57.039 56.400 -0.197 0.000 0.826 385 E CB -0.086 29.558 29.700 -0.094 0.000 0.788 385 E HN 0.775 nan 8.360 nan 0.000 0.461 386 N N 0.521 119.103 118.700 -0.196 0.000 2.176 386 N HA -0.166 4.626 4.740 0.088 0.000 0.187 386 N C 1.952 177.287 175.510 -0.292 0.000 1.043 386 N CA 0.779 53.672 53.050 -0.263 0.000 0.851 386 N CB 0.186 38.140 38.487 -0.889 0.000 1.018 386 N HN -0.125 nan 8.380 nan 0.000 0.436 387 E N 0.796 120.759 120.200 -0.395 0.000 2.110 387 E HA -0.166 4.237 4.350 0.088 0.000 0.193 387 E C 1.501 177.906 176.600 -0.326 0.000 0.988 387 E CA 1.513 57.753 56.400 -0.267 0.000 0.804 387 E CB -0.035 29.539 29.700 -0.211 0.000 0.745 387 E HN 0.476 nan 8.360 nan 0.000 0.458 388 Q N -0.208 119.325 119.800 -0.445 0.000 2.444 388 Q HA 0.215 4.607 4.340 0.088 0.000 0.206 388 Q C -0.035 175.830 176.000 -0.224 0.000 0.948 388 Q CA 0.218 55.820 55.803 -0.335 0.000 0.946 388 Q CB 0.387 28.921 28.738 -0.340 0.000 1.027 388 Q HN 0.216 nan 8.270 nan 0.000 0.513 389 A N 1.143 123.838 122.820 -0.207 0.000 2.462 389 A HA 0.498 4.870 4.320 0.088 0.000 0.243 389 A C -0.163 177.260 177.584 -0.268 0.000 1.076 389 A CA 0.074 51.951 52.037 -0.266 0.000 0.773 389 A CB 0.327 19.209 19.000 -0.196 0.000 1.010 389 A HN 0.264 nan 8.150 nan 0.000 0.493 390 A N 2.414 125.020 122.820 -0.357 0.000 2.340 390 A HA 0.685 5.058 4.320 0.088 0.000 0.297 390 A C -0.821 176.631 177.584 -0.220 0.000 1.195 390 A CA -0.415 51.499 52.037 -0.205 0.000 0.769 390 A CB 0.255 19.176 19.000 -0.132 0.000 1.163 390 A HN 0.623 nan 8.150 nan 0.000 0.472 391 F N 1.809 121.757 119.950 -0.004 0.000 2.425 391 F HA 0.650 5.229 4.527 0.087 0.000 0.331 391 F C 0.530 176.264 175.800 -0.109 0.000 1.085 391 F CA -0.141 57.832 58.000 -0.044 0.000 1.028 391 F CB 1.636 40.571 39.000 -0.107 0.000 1.177 391 F HN 0.646 nan 8.300 nan 0.000 0.487 392 H N 3.567 122.469 119.070 -0.281 0.000 2.947 392 H HA 0.264 4.873 4.556 0.088 0.000 0.354 392 H C -2.391 172.559 175.328 -0.630 0.000 1.085 392 H CA -2.529 53.093 56.048 -0.710 0.000 1.253 392 H CB 2.867 32.017 29.762 -1.019 0.000 1.757 392 H HN 0.225 nan 8.280 nan 0.000 0.523 393 P HA -0.051 nan 4.420 nan 0.000 0.225 393 P C 1.211 178.593 177.300 0.137 0.000 1.148 393 P CA 1.284 64.334 63.100 -0.083 0.000 0.779 393 P CB 0.070 31.706 31.700 -0.106 0.000 0.780 394 G N -0.437 108.367 108.800 0.005 0.000 2.422 394 G HA2 -0.197 3.816 3.960 0.088 0.000 0.218 394 G HA3 -0.197 3.816 3.960 0.088 0.000 0.218 394 G C 0.604 175.497 174.900 -0.012 0.000 1.140 394 G CA 0.159 45.175 45.100 -0.140 0.000 0.775 394 G HN 0.431 nan 8.290 nan 0.000 0.545 395 H N 1.038 120.015 119.070 -0.154 0.000 3.513 395 H HA 0.292 4.900 4.556 0.087 0.000 0.253 395 H C 0.635 176.005 175.328 0.069 0.000 1.514 395 H CA -0.751 55.246 56.048 -0.085 0.000 1.565 395 H CB -0.376 29.338 29.762 -0.081 0.000 1.776 395 H HN 0.410 nan 8.280 nan 0.000 0.562 396 I N -0.473 120.166 120.570 0.114 0.000 3.076 396 I HA 0.654 4.876 4.170 0.088 0.000 0.313 396 I C -0.075 175.993 176.117 -0.081 0.000 1.053 396 I CA -1.366 59.938 61.300 0.008 0.000 1.048 396 I CB 1.786 39.680 38.000 -0.177 0.000 1.264 396 I HN 0.095 nan 8.210 nan 0.000 0.498 397 V N -1.843 118.019 119.914 -0.087 0.000 3.102 397 V HA 0.663 4.835 4.120 0.088 0.000 0.312 397 V C -2.825 173.352 176.094 0.139 0.000 1.135 397 V CA -2.567 59.742 62.300 0.013 0.000 1.022 397 V CB 0.983 32.803 31.823 -0.005 0.000 1.056 397 V HN 0.637 nan 8.190 nan 0.000 0.436 398 P HA 0.367 nan 4.420 nan 0.000 0.262 398 P C 0.899 178.202 177.300 0.005 0.000 1.182 398 P CA 1.969 65.149 63.100 0.134 0.000 0.761 398 P CB 0.653 32.410 31.700 0.094 0.000 0.795 399 G N 1.676 110.434 108.800 -0.069 0.000 2.231 399 G HA2 -0.149 3.864 3.960 0.088 0.000 0.206 399 G HA3 -0.149 3.864 3.960 0.088 0.000 0.206 399 G C -0.265 174.549 174.900 -0.143 0.000 0.996 399 G CA -0.461 44.574 45.100 -0.108 0.000 0.645 399 G HN 0.443 nan 8.290 nan 0.000 0.498 400 L N -0.007 121.142 121.223 -0.123 0.000 2.333 400 L HA 0.917 5.310 4.340 0.088 0.000 0.263 400 L C -0.573 176.233 176.870 -0.106 0.000 1.014 400 L CA -1.041 53.703 54.840 -0.159 0.000 0.820 400 L CB 2.169 44.060 42.059 -0.279 0.000 1.352 400 L HN 0.111 nan 8.230 nan 0.000 0.421 401 D N -0.802 119.521 120.400 -0.128 0.000 2.692 401 D HA 0.462 5.155 4.640 0.088 0.000 0.290 401 D C -1.309 174.923 176.300 -0.114 0.000 1.281 401 D CA -0.304 53.587 54.000 -0.181 0.000 0.804 401 D CB 1.902 42.662 40.800 -0.066 0.000 1.331 401 D HN 0.049 nan 8.370 nan 0.000 0.432 402 F N -0.029 120.062 119.950 0.235 0.000 2.362 402 F HA 0.613 5.192 4.527 0.087 0.000 0.340 402 F C 1.412 177.252 175.800 0.067 0.000 1.088 402 F CA -0.225 57.862 58.000 0.145 0.000 1.096 402 F CB 0.713 39.767 39.000 0.089 0.000 1.486 402 F HN 0.240 nan 8.300 nan 0.000 0.500 403 T N -3.180 111.495 114.554 0.201 0.000 2.804 403 T HA 0.335 4.738 4.350 0.088 0.000 0.290 403 T C -0.054 174.692 174.700 0.076 0.000 1.099 403 T CA -0.913 61.273 62.100 0.143 0.000 1.011 403 T CB 1.163 70.084 68.868 0.088 0.000 1.291 403 T HN 0.316 nan 8.240 nan 0.000 0.523 404 N N 1.193 119.941 118.700 0.080 0.000 2.449 404 N HA 0.048 4.841 4.740 0.088 0.000 0.191 404 N C 0.092 175.620 175.510 0.029 0.000 1.161 404 N CA 0.111 53.190 53.050 0.049 0.000 0.863 404 N CB -0.466 38.065 38.487 0.073 0.000 0.980 404 N HN 0.698 nan 8.380 nan 0.000 0.458 405 D N 2.237 122.639 120.400 0.003 0.000 2.662 405 D HA -0.083 4.610 4.640 0.088 0.000 0.233 405 D C -1.401 174.903 176.300 0.006 0.000 1.129 405 D CA -0.877 53.147 54.000 0.039 0.000 0.851 405 D CB 1.263 42.039 40.800 -0.040 0.000 1.152 405 D HN 0.151 nan 8.370 nan 0.000 0.507 406 P HA -0.074 nan 4.420 nan 0.000 0.241 406 P C 1.444 178.761 177.300 0.029 0.000 1.191 406 P CA 0.068 63.185 63.100 0.028 0.000 0.771 406 P CB 0.419 32.125 31.700 0.009 0.000 0.929 407 L N -0.315 120.942 121.223 0.057 0.000 2.102 407 L HA 0.039 4.432 4.340 0.088 0.000 0.202 407 L C 2.326 179.120 176.870 -0.127 0.000 1.076 407 L CA 1.181 56.051 54.840 0.051 0.000 0.761 407 L CB -1.535 40.646 42.059 0.204 0.000 0.921 407 L HN -0.179 nan 8.230 nan 0.000 0.444 408 L N -0.350 120.628 121.223 -0.408 0.000 2.012 408 L HA -0.236 4.157 4.340 0.088 0.000 0.210 408 L C 2.491 179.141 176.870 -0.367 0.000 1.073 408 L CA 1.835 56.241 54.840 -0.724 0.000 0.748 408 L CB -0.972 40.512 42.059 -0.959 0.000 0.891 408 L HN 0.392 nan 8.230 nan 0.000 0.431 409 Q N -0.330 119.319 119.800 -0.252 0.000 2.077 409 Q HA -0.182 4.210 4.340 0.088 0.000 0.206 409 Q C 2.091 178.021 176.000 -0.116 0.000 0.989 409 Q CA 1.864 57.557 55.803 -0.184 0.000 0.853 409 Q CB -0.812 27.862 28.738 -0.106 0.000 0.907 409 Q HN 0.705 nan 8.270 nan 0.000 0.418 410 G N 0.603 109.362 108.800 -0.070 0.000 2.403 410 G HA2 -0.228 3.785 3.960 0.088 0.000 0.216 410 G HA3 -0.228 3.785 3.960 0.088 0.000 0.216 410 G C 1.500 176.415 174.900 0.025 0.000 1.154 410 G CA 0.334 45.431 45.100 -0.004 0.000 0.784 410 G HN 0.260 nan 8.290 nan 0.000 0.538 411 R N -0.059 120.414 120.500 -0.046 0.000 2.117 411 R HA -0.030 4.363 4.340 0.088 0.000 0.243 411 R C 2.524 178.882 176.300 0.096 0.000 1.143 411 R CA 1.023 57.144 56.100 0.035 0.000 0.968 411 R CB -0.511 29.800 30.300 0.020 0.000 0.863 411 R HN 0.345 nan 8.270 nan 0.000 0.444 412 L N -0.495 120.728 121.223 -0.000 0.000 2.127 412 L HA -0.218 4.175 4.340 0.088 0.000 0.211 412 L C 2.304 179.288 176.870 0.189 0.000 1.089 412 L CA 1.214 56.082 54.840 0.046 0.000 0.757 412 L CB -0.460 41.482 42.059 -0.196 0.000 0.899 412 L HN 0.172 nan 8.230 nan 0.000 0.434 413 F N 0.067 120.028 119.950 0.019 0.000 2.163 413 F HA -0.167 4.413 4.527 0.088 0.000 0.297 413 F C 2.799 178.607 175.800 0.012 0.000 1.094 413 F CA 1.526 59.542 58.000 0.028 0.000 1.290 413 F CB -0.270 38.729 39.000 -0.002 0.000 1.017 413 F HN -0.075 nan 8.300 nan 0.000 0.483 414 S N -0.863 114.791 115.700 -0.078 0.000 2.383 414 S HA -0.205 4.317 4.470 0.088 0.000 0.227 414 S C 2.018 176.387 174.600 -0.385 0.000 1.026 414 S CA 1.418 59.461 58.200 -0.262 0.000 0.981 414 S CB -0.646 62.445 63.200 -0.181 0.000 0.818 414 S HN 0.502 nan 8.310 nan 0.000 0.472 415 Y N 1.890 121.840 120.300 -0.583 0.000 2.263 415 Y HA 0.001 4.604 4.550 0.088 0.000 0.292 415 Y C 2.918 178.491 175.900 -0.545 0.000 1.130 415 Y CA 1.414 59.103 58.100 -0.684 0.000 1.179 415 Y CB -1.172 36.596 38.460 -1.153 0.000 0.998 415 Y HN 0.233 nan 8.280 nan 0.000 0.532 416 T N -0.239 114.150 114.554 -0.275 0.000 2.622 416 T HA -0.261 4.141 4.350 0.088 0.000 0.266 416 T C 1.540 176.124 174.700 -0.192 0.000 1.047 416 T CA 1.868 63.924 62.100 -0.073 0.000 1.159 416 T CB -0.601 68.292 68.868 0.041 0.000 0.863 416 T HN 0.333 nan 8.240 nan 0.000 0.422 417 D N 0.313 120.529 120.400 -0.307 0.000 2.106 417 D HA -0.133 4.560 4.640 0.088 0.000 0.191 417 D C 2.321 178.492 176.300 -0.215 0.000 0.997 417 D CA 1.799 55.621 54.000 -0.297 0.000 0.834 417 D CB -0.565 39.913 40.800 -0.537 0.000 0.956 417 D HN 0.286 nan 8.370 nan 0.000 0.448 418 T N -1.161 113.245 114.554 -0.247 0.000 2.867 418 T HA -0.125 4.278 4.350 0.088 0.000 0.268 418 T C 1.861 176.441 174.700 -0.199 0.000 1.057 418 T CA 1.348 63.330 62.100 -0.196 0.000 1.136 418 T CB -0.178 68.556 68.868 -0.223 0.000 0.874 418 T HN 0.213 nan 8.240 nan 0.000 0.466 419 Q N -0.056 119.571 119.800 -0.287 0.000 2.167 419 Q HA 0.009 4.402 4.340 0.088 0.000 0.202 419 Q C 2.260 178.089 176.000 -0.286 0.000 0.970 419 Q CA 1.041 56.612 55.803 -0.385 0.000 0.855 419 Q CB -0.054 28.250 28.738 -0.723 0.000 0.911 419 Q HN 0.499 nan 8.270 nan 0.000 0.438 420 I N 0.568 121.038 120.570 -0.168 0.000 2.179 420 I HA -0.263 3.959 4.170 0.088 0.000 0.242 420 I C 2.524 178.643 176.117 0.003 0.000 1.088 420 I CA 1.744 63.050 61.300 0.010 0.000 1.357 420 I CB -1.486 36.545 38.000 0.052 0.000 1.051 420 I HN 0.257 nan 8.210 nan 0.000 0.409 421 S N 1.105 116.787 115.700 -0.029 0.000 2.371 421 S HA -0.205 4.317 4.470 0.088 0.000 0.224 421 S C 2.225 176.816 174.600 -0.014 0.000 1.029 421 S CA 0.904 59.098 58.200 -0.010 0.000 0.978 421 S CB -0.524 62.668 63.200 -0.013 0.000 0.833 421 S HN 0.359 nan 8.310 nan 0.000 0.466 422 R N 0.899 121.371 120.500 -0.047 0.000 2.080 422 R HA 0.098 4.490 4.340 0.088 0.000 0.236 422 R C 1.830 178.117 176.300 -0.022 0.000 1.137 422 R CA 1.742 57.817 56.100 -0.040 0.000 0.943 422 R CB -0.381 29.873 30.300 -0.076 0.000 0.846 422 R HN 0.493 nan 8.270 nan 0.000 0.431 423 L N -0.777 120.426 121.223 -0.034 0.000 2.628 423 L HA 0.296 4.688 4.340 0.088 0.000 0.229 423 L C 0.979 177.877 176.870 0.047 0.000 1.137 423 L CA 0.383 55.224 54.840 0.002 0.000 0.909 423 L CB 0.900 42.964 42.059 0.008 0.000 1.137 423 L HN 0.684 nan 8.230 nan 0.000 0.470 424 G N -0.364 108.466 108.800 0.050 0.000 2.175 424 G HA2 -0.103 3.910 3.960 0.088 0.000 0.244 424 G HA3 -0.103 3.910 3.960 0.088 0.000 0.244 424 G C 0.398 175.352 174.900 0.091 0.000 0.982 424 G CA -0.208 44.930 45.100 0.063 0.000 0.641 424 G HN 0.734 nan 8.290 nan 0.000 0.527 425 G N -1.407 107.471 108.800 0.129 0.000 2.327 425 G HA2 0.632 4.644 3.960 0.088 0.000 0.291 425 G HA3 0.632 4.644 3.960 0.088 0.000 0.291 425 G C -2.402 172.640 174.900 0.236 0.000 1.290 425 G CA 0.432 45.619 45.100 0.146 0.000 0.857 425 G HN 0.430 nan 8.290 nan 0.000 0.520 426 P HA 0.147 nan 4.420 nan 0.000 0.255 426 P C 0.069 177.370 177.300 0.002 0.000 1.248 426 P CA 0.283 63.491 63.100 0.180 0.000 0.807 426 P CB 0.288 32.060 31.700 0.120 0.000 1.150 427 N N 0.509 119.205 118.700 -0.008 0.000 2.453 427 N HA 0.089 4.881 4.740 0.088 0.000 0.270 427 N C 0.937 176.243 175.510 -0.341 0.000 1.195 427 N CA -0.257 52.661 53.050 -0.219 0.000 0.902 427 N CB -0.421 37.994 38.487 -0.120 0.000 1.186 427 N HN 0.228 nan 8.380 nan 0.000 0.510 428 F N 0.712 120.647 119.950 -0.025 0.000 2.293 428 F HA -0.067 4.512 4.527 0.086 0.000 0.300 428 F C 2.311 178.056 175.800 -0.090 0.000 1.086 428 F CA 0.757 58.722 58.000 -0.058 0.000 1.375 428 F CB -0.760 38.230 39.000 -0.016 0.000 1.045 428 F HN 0.174 nan 8.300 nan 0.000 0.516 429 H N 0.628 119.288 119.070 -0.683 0.000 2.521 429 H HA 0.009 4.618 4.556 0.089 0.000 0.286 429 H C 0.858 176.036 175.328 -0.250 0.000 1.034 429 H CA 1.486 57.281 56.048 -0.420 0.000 1.278 429 H CB -0.786 28.614 29.762 -0.604 0.000 1.386 429 H HN 0.534 nan 8.280 nan 0.000 0.567 430 E N 0.945 120.734 120.200 -0.686 0.000 2.442 430 E HA 0.178 4.581 4.350 0.088 0.000 0.195 430 E C 0.463 176.954 176.600 -0.183 0.000 1.030 430 E CA -0.301 55.869 56.400 -0.384 0.000 0.869 430 E CB 0.519 29.992 29.700 -0.378 0.000 0.857 430 E HN 0.418 nan 8.360 nan 0.000 0.505 431 I N 2.738 123.219 120.570 -0.149 0.000 2.752 431 I HA -0.081 4.141 4.170 0.088 0.000 0.289 431 I C -1.521 174.541 176.117 -0.092 0.000 1.197 431 I CA -1.210 60.033 61.300 -0.096 0.000 1.432 431 I CB 0.472 38.428 38.000 -0.073 0.000 1.359 431 I HN -0.188 nan 8.210 nan 0.000 0.571 432 P HA -0.234 nan 4.420 nan 0.000 0.216 432 P C 1.710 178.943 177.300 -0.112 0.000 1.157 432 P CA 1.256 64.304 63.100 -0.087 0.000 0.880 432 P CB 0.165 31.821 31.700 -0.074 0.000 0.791 433 I N -0.823 119.651 120.570 -0.161 0.000 2.454 433 I HA -0.167 4.055 4.170 0.088 0.000 0.254 433 I C 1.280 177.321 176.117 -0.126 0.000 1.156 433 I CA 1.658 62.811 61.300 -0.245 0.000 1.433 433 I CB -0.633 37.105 38.000 -0.437 0.000 1.082 433 I HN -0.111 nan 8.210 nan 0.000 0.432 434 N N 0.615 119.260 118.700 -0.092 0.000 2.422 434 N HA 0.049 4.842 4.740 0.088 0.000 0.181 434 N C 0.297 175.822 175.510 0.025 0.000 1.080 434 N CA 0.180 53.206 53.050 -0.039 0.000 0.893 434 N CB -0.060 38.426 38.487 -0.002 0.000 0.973 434 N HN 0.368 nan 8.380 nan 0.000 0.456 435 R N 1.534 122.049 120.500 0.025 0.000 2.590 435 R HA 0.154 4.547 4.340 0.088 0.000 0.274 435 R C -2.225 174.148 176.300 0.123 0.000 1.061 435 R CA -1.128 54.992 56.100 0.033 0.000 1.081 435 R CB -0.121 30.181 30.300 0.003 0.000 0.984 435 R HN 0.022 nan 8.270 nan 0.000 0.448 436 P HA 0.010 nan 4.420 nan 0.000 0.272 436 P C 0.526 177.897 177.300 0.120 0.000 1.230 436 P CA -0.077 63.104 63.100 0.135 0.000 0.788 436 P CB 0.729 32.462 31.700 0.056 0.000 0.949 437 T N -2.875 111.760 114.554 0.134 0.000 3.051 437 T HA 0.044 4.446 4.350 0.088 0.000 0.255 437 T C 0.955 175.694 174.700 0.065 0.000 1.085 437 T CA 0.085 62.221 62.100 0.060 0.000 1.109 437 T CB -0.975 67.915 68.868 0.037 0.000 0.921 437 T HN 0.589 nan 8.240 nan 0.000 0.488 438 C N 1.652 121.004 119.300 0.087 0.000 2.403 438 C HA 0.750 5.263 4.460 0.088 0.000 0.361 438 C C -2.426 172.611 174.990 0.078 0.000 1.274 438 C CA -2.405 56.661 59.018 0.080 0.000 2.433 438 C CB -0.015 27.777 27.740 0.087 0.000 2.323 438 C HN 0.184 nan 8.230 nan 0.000 0.614 439 P HA 0.298 nan 4.420 nan 0.000 0.268 439 P C -1.219 176.120 177.300 0.064 0.000 1.205 439 P CA 0.468 63.616 63.100 0.081 0.000 0.771 439 P CB 0.020 31.821 31.700 0.168 0.000 0.858 440 Y N 1.043 121.182 120.300 -0.267 0.000 2.361 440 Y HA 0.623 5.226 4.550 0.087 0.000 0.328 440 Y C -1.600 173.929 175.900 -0.619 0.000 1.044 440 Y CA -0.946 56.986 58.100 -0.281 0.000 1.085 440 Y CB 1.046 39.388 38.460 -0.197 0.000 1.194 440 Y HN 0.453 nan 8.280 nan 0.000 0.438 441 H N 4.212 123.182 119.070 -0.167 0.000 2.966 441 H HA 0.553 5.162 4.556 0.088 0.000 0.347 441 H C -1.136 174.080 175.328 -0.187 0.000 1.048 441 H CA -0.744 55.130 56.048 -0.289 0.000 1.295 441 H CB 1.522 31.146 29.762 -0.230 0.000 1.744 441 H HN 0.876 nan 8.280 nan 0.000 0.513 442 N N 0.533 119.134 118.700 -0.164 0.000 3.449 442 N HA 0.200 4.992 4.740 0.088 0.000 0.312 442 N C -1.148 174.127 175.510 -0.392 0.000 1.582 442 N CA -0.933 51.978 53.050 -0.232 0.000 0.850 442 N CB 0.651 39.150 38.487 0.021 0.000 1.822 442 N HN 0.258 nan 8.380 nan 0.000 0.577 443 F N -0.266 119.728 119.950 0.073 0.000 2.641 443 F HA 0.362 4.941 4.527 0.087 0.000 0.302 443 F C 0.452 176.296 175.800 0.073 0.000 1.098 443 F CA -0.295 57.742 58.000 0.061 0.000 1.318 443 F CB -0.011 39.018 39.000 0.049 0.000 1.035 443 F HN 0.172 nan 8.300 nan 0.000 0.551 444 Q N 1.374 121.286 119.800 0.186 0.000 2.392 444 Q HA 0.381 4.774 4.340 0.088 0.000 0.262 444 Q C 0.125 176.205 176.000 0.134 0.000 1.003 444 Q CA 0.055 55.946 55.803 0.147 0.000 0.888 444 Q CB 0.971 29.771 28.738 0.103 0.000 1.260 444 Q HN 0.077 nan 8.270 nan 0.000 0.435 445 R N 1.310 121.881 120.500 0.118 0.000 2.817 445 R HA 0.358 4.750 4.340 0.088 0.000 0.268 445 R C -0.764 175.586 176.300 0.084 0.000 1.027 445 R CA -0.671 55.490 56.100 0.101 0.000 0.928 445 R CB 1.151 31.513 30.300 0.103 0.000 1.228 445 R HN 0.724 nan 8.270 nan 0.000 0.469 446 D N -0.367 120.073 120.400 0.068 0.000 3.605 446 D HA -0.121 4.572 4.640 0.088 0.000 0.258 446 D C 0.269 176.603 176.300 0.057 0.000 1.916 446 D CA 2.036 56.068 54.000 0.054 0.000 1.155 446 D CB -0.904 39.928 40.800 0.053 0.000 0.854 446 D HN 0.891 nan 8.370 nan 0.000 1.047 447 G N -1.571 107.260 108.800 0.052 0.000 2.675 447 G HA2 0.267 4.279 3.960 0.088 0.000 0.686 447 G HA3 0.267 4.279 3.960 0.088 0.000 0.686 447 G C -0.321 174.611 174.900 0.054 0.000 1.215 447 G CA -0.019 45.117 45.100 0.059 0.000 0.777 447 G HN 0.821 nan 8.290 nan 0.000 0.638 448 M N 1.284 120.925 119.600 0.068 0.000 2.249 448 M HA 0.507 5.039 4.480 0.088 0.000 0.340 448 M C 1.037 177.415 176.300 0.129 0.000 1.166 448 M CA 1.211 56.557 55.300 0.077 0.000 1.115 448 M CB -0.501 32.154 32.600 0.091 0.000 1.606 448 M HN 1.579 nan 8.290 nan 0.000 0.448 449 H N 0.728 119.803 119.070 0.008 0.000 2.748 449 H HA -0.164 4.443 4.556 0.085 0.000 0.322 449 H C -0.857 174.459 175.328 -0.019 0.000 1.208 449 H CA 0.745 56.792 56.048 -0.003 0.000 1.151 449 H CB -0.700 29.063 29.762 0.002 0.000 1.505 449 H HN 0.625 nan 8.280 nan 0.000 0.429 450 R N 1.419 121.911 120.500 -0.013 0.000 2.316 450 R HA 0.121 4.513 4.340 0.088 0.000 0.314 450 R C 0.854 177.147 176.300 -0.012 0.000 1.069 450 R CA -0.172 55.930 56.100 0.004 0.000 0.959 450 R CB 0.287 30.590 30.300 0.005 0.000 0.987 450 R HN 0.352 nan 8.270 nan 0.000 0.446 451 M N 2.387 121.992 119.600 0.009 0.000 2.412 451 M HA 0.235 4.768 4.480 0.088 0.000 0.263 451 M C 0.951 177.250 176.300 -0.002 0.000 1.122 451 M CA 0.957 56.261 55.300 0.007 0.000 1.179 451 M CB -0.871 31.736 32.600 0.012 0.000 1.335 451 M HN 0.685 nan 8.290 nan 0.000 0.465 452 G N 1.710 110.513 108.800 0.006 0.000 2.398 452 G HA2 0.402 4.414 3.960 0.088 0.000 0.246 452 G HA3 0.402 4.414 3.960 0.088 0.000 0.246 452 G C -0.381 174.517 174.900 -0.003 0.000 1.289 452 G CA -0.388 44.712 45.100 0.001 0.000 0.869 452 G HN 0.328 nan 8.290 nan 0.000 0.543 453 I N 2.656 123.217 120.570 -0.014 0.000 2.347 453 I HA 0.110 4.332 4.170 0.088 0.000 0.283 453 I C -0.357 175.752 176.117 -0.013 0.000 1.058 453 I CA -0.596 60.699 61.300 -0.009 0.000 1.202 453 I CB 1.021 39.015 38.000 -0.011 0.000 1.386 453 I HN 0.346 nan 8.210 nan 0.000 0.475 454 D N 4.779 125.177 120.400 -0.003 0.000 2.383 454 D HA 0.058 4.750 4.640 0.088 0.000 0.252 454 D C 1.222 177.525 176.300 0.004 0.000 1.166 454 D CA 0.307 54.303 54.000 -0.005 0.000 0.879 454 D CB 1.768 42.575 40.800 0.011 0.000 1.164 454 D HN 0.562 nan 8.370 nan 0.000 0.462 455 T N -0.837 113.715 114.554 -0.004 0.000 3.040 455 T HA -0.052 4.351 4.350 0.088 0.000 0.250 455 T C 0.877 175.584 174.700 0.011 0.000 1.058 455 T CA -0.552 61.549 62.100 0.002 0.000 0.988 455 T CB 0.210 69.072 68.868 -0.010 0.000 0.993 455 T HN 0.123 nan 8.240 nan 0.000 0.519 456 N N 3.366 122.074 118.700 0.012 0.000 2.357 456 N HA 0.074 4.867 4.740 0.088 0.000 0.257 456 N C -1.719 173.827 175.510 0.059 0.000 1.250 456 N CA -1.409 51.661 53.050 0.034 0.000 0.862 456 N CB 1.433 39.942 38.487 0.038 0.000 1.066 456 N HN 0.063 nan 8.380 nan 0.000 0.468 457 P HA 0.047 nan 4.420 nan 0.000 0.223 457 P C -0.605 176.749 177.300 0.090 0.000 1.151 457 P CA 0.746 63.887 63.100 0.070 0.000 0.787 457 P CB 0.273 32.010 31.700 0.062 0.000 0.788 458 A N 0.749 123.613 122.820 0.073 0.000 2.325 458 A HA 0.464 4.837 4.320 0.088 0.000 0.333 458 A C 0.374 178.046 177.584 0.146 0.000 1.155 458 A CA -0.683 51.348 52.037 -0.010 0.000 0.814 458 A CB 0.231 19.050 19.000 -0.301 0.000 1.206 458 A HN 0.240 nan 8.150 nan 0.000 0.482 459 N N -0.263 118.544 118.700 0.179 0.000 2.351 459 N HA 0.364 5.157 4.740 0.088 0.000 0.254 459 N C -0.873 174.777 175.510 0.234 0.000 1.241 459 N CA -0.341 52.903 53.050 0.323 0.000 0.883 459 N CB 0.383 39.023 38.487 0.256 0.000 1.202 459 N HN 0.677 nan 8.380 nan 0.000 0.512 460 Y N -0.918 119.252 120.300 -0.217 0.000 2.638 460 Y HA 0.675 5.277 4.550 0.087 0.000 0.335 460 Y C -1.641 173.691 175.900 -0.947 0.000 1.155 460 Y CA -1.370 56.434 58.100 -0.494 0.000 1.046 460 Y CB 0.983 39.316 38.460 -0.211 0.000 1.303 460 Y HN 0.095 nan 8.280 nan 0.000 0.460 461 E N 0.911 120.675 120.200 -0.726 0.000 2.343 461 E HA 0.643 5.046 4.350 0.088 0.000 0.278 461 E C -3.215 173.292 176.600 -0.155 0.000 0.910 461 E CA -1.941 54.127 56.400 -0.553 0.000 0.757 461 E CB 1.819 31.156 29.700 -0.605 0.000 1.218 461 E HN 0.576 nan 8.360 nan 0.000 0.435 462 P HA 0.300 nan 4.420 nan 0.000 0.275 462 P C -1.291 175.981 177.300 -0.046 0.000 1.227 462 P CA -0.453 62.591 63.100 -0.093 0.000 0.781 462 P CB 0.564 32.240 31.700 -0.040 0.000 0.906 463 N N -1.298 117.299 118.700 -0.171 0.000 2.262 463 N HA 0.379 5.172 4.740 0.088 0.000 0.295 463 N C 0.308 175.785 175.510 -0.055 0.000 1.161 463 N CA -0.780 52.191 53.050 -0.133 0.000 0.767 463 N CB 1.448 39.587 38.487 -0.580 0.000 1.499 463 N HN 0.193 nan 8.380 nan 0.000 0.476 464 S N 0.366 116.078 115.700 0.020 0.000 2.497 464 S HA 0.001 4.523 4.470 0.088 0.000 0.218 464 S C 1.550 176.167 174.600 0.030 0.000 1.023 464 S CA -0.060 58.149 58.200 0.015 0.000 0.913 464 S CB -0.771 62.446 63.200 0.028 0.000 0.800 464 S HN 0.717 nan 8.310 nan 0.000 0.505 465 I N -0.706 119.890 120.570 0.043 0.000 2.756 465 I HA 0.201 4.424 4.170 0.088 0.000 0.262 465 I C 1.202 177.352 176.117 0.055 0.000 1.225 465 I CA 1.282 62.616 61.300 0.057 0.000 1.472 465 I CB -0.334 37.718 38.000 0.087 0.000 1.094 465 I HN 0.191 nan 8.210 nan 0.000 0.454 466 N N 1.152 119.884 118.700 0.053 0.000 2.299 466 N HA 0.043 4.836 4.740 0.088 0.000 0.246 466 N C -0.106 175.517 175.510 0.188 0.000 1.254 466 N CA -0.068 53.053 53.050 0.119 0.000 0.879 466 N CB 0.020 38.587 38.487 0.133 0.000 1.214 466 N HN 0.220 nan 8.380 nan 0.000 0.510 467 D N 0.808 121.265 120.400 0.095 0.000 2.751 467 D HA -0.260 4.432 4.640 0.088 0.000 0.233 467 D C -0.061 176.131 176.300 -0.180 0.000 1.149 467 D CA 1.192 55.208 54.000 0.028 0.000 0.682 467 D CB -1.377 39.520 40.800 0.160 0.000 1.068 467 D HN 0.495 nan 8.370 nan 0.000 0.429 468 N N -1.701 116.921 118.700 -0.130 0.000 2.753 468 N HA -0.244 4.548 4.740 0.088 0.000 0.251 468 N C -0.838 174.579 175.510 -0.155 0.000 1.097 468 N CA 1.440 54.380 53.050 -0.182 0.000 0.786 468 N CB -1.271 37.071 38.487 -0.242 0.000 1.137 468 N HN 0.552 nan 8.380 nan 0.000 0.566 469 W N 0.972 122.321 121.300 0.081 0.000 2.381 469 W HA 0.448 5.160 4.660 0.087 0.000 0.329 469 W C -1.668 174.885 176.519 0.057 0.000 1.157 469 W CA -1.728 55.650 57.345 0.055 0.000 1.240 469 W CB 0.597 30.040 29.460 -0.029 0.000 1.199 469 W HN -0.045 nan 8.180 nan 0.000 0.579 470 P HA 0.141 nan 4.420 nan 0.000 0.271 470 P C -0.664 176.770 177.300 0.223 0.000 1.216 470 P CA 0.039 63.267 63.100 0.215 0.000 0.776 470 P CB 0.965 32.641 31.700 -0.041 0.000 0.881 471 R N 1.652 122.262 120.500 0.184 0.000 2.540 471 R HA 0.303 4.695 4.340 0.088 0.000 0.287 471 R C 0.480 176.811 176.300 0.053 0.000 0.980 471 R CA -0.785 55.301 56.100 -0.023 0.000 0.966 471 R CB 1.092 31.165 30.300 -0.379 0.000 1.106 471 R HN 0.505 nan 8.270 nan 0.000 0.480 472 E N 0.600 120.818 120.200 0.030 0.000 2.418 472 E HA 0.030 4.433 4.350 0.088 0.000 0.261 472 E C -0.552 176.070 176.600 0.038 0.000 1.070 472 E CA 0.633 57.063 56.400 0.050 0.000 0.931 472 E CB 0.750 30.469 29.700 0.033 0.000 0.954 472 E HN 0.361 nan 8.360 nan 0.000 0.439 473 T N 3.579 118.166 114.554 0.056 0.000 2.841 473 T HA 0.346 4.748 4.350 0.088 0.000 0.285 473 T C -2.418 172.307 174.700 0.041 0.000 0.991 473 T CA -1.566 60.565 62.100 0.052 0.000 0.966 473 T CB 1.465 70.375 68.868 0.071 0.000 0.962 473 T HN 0.252 nan 8.240 nan 0.000 0.438 474 P HA 0.266 nan 4.420 nan 0.000 0.270 474 P C -2.589 174.719 177.300 0.014 0.000 1.223 474 P CA -1.331 61.778 63.100 0.015 0.000 0.785 474 P CB -0.464 31.239 31.700 0.006 0.000 0.923 475 P HA 0.303 nan 4.420 nan 0.000 0.268 475 P C 0.054 177.345 177.300 -0.015 0.000 1.205 475 P CA 0.409 63.498 63.100 -0.018 0.000 0.771 475 P CB 0.589 32.260 31.700 -0.048 0.000 0.858 476 G N 1.789 110.580 108.800 -0.015 0.000 2.606 476 G HA2 0.426 4.438 3.960 0.088 0.000 0.300 476 G HA3 0.426 4.438 3.960 0.088 0.000 0.300 476 G C -2.556 172.335 174.900 -0.015 0.000 1.360 476 G CA -0.826 44.268 45.100 -0.011 0.000 0.783 476 G HN 0.073 nan 8.290 nan 0.000 0.484 477 P HA 0.100 nan 4.420 nan 0.000 0.221 477 P C 0.029 177.325 177.300 -0.007 0.000 1.150 477 P CA 1.169 64.261 63.100 -0.014 0.000 0.800 477 P CB 0.171 31.865 31.700 -0.011 0.000 0.787 478 K N -2.164 118.238 120.400 0.004 0.000 2.546 478 K HA 0.344 4.717 4.320 0.088 0.000 0.264 478 K C -0.409 176.206 176.600 0.025 0.000 0.937 478 K CA -0.802 55.494 56.287 0.014 0.000 0.833 478 K CB 1.539 34.049 32.500 0.016 0.000 1.378 478 K HN -0.316 nan 8.250 nan 0.000 0.432 479 R N -0.542 119.980 120.500 0.037 0.000 3.758 479 R HA -0.132 4.260 4.340 0.088 0.000 0.299 479 R C 0.171 176.500 176.300 0.048 0.000 1.182 479 R CA 1.313 57.441 56.100 0.047 0.000 0.809 479 R CB -2.279 28.048 30.300 0.045 0.000 1.249 479 R HN 1.030 nan 8.270 nan 0.000 0.497 480 G N -1.045 107.779 108.800 0.041 0.000 2.491 480 G HA2 0.648 4.660 3.960 0.088 0.000 0.327 480 G HA3 0.648 4.660 3.960 0.088 0.000 0.327 480 G C 0.301 175.236 174.900 0.058 0.000 1.189 480 G CA 0.052 45.175 45.100 0.039 0.000 0.956 480 G HN 0.247 nan 8.290 nan 0.000 0.491 481 G N -1.312 107.524 108.800 0.059 0.000 2.606 481 G HA2 0.411 4.423 3.960 0.088 0.000 0.252 481 G HA3 0.411 4.423 3.960 0.088 0.000 0.252 481 G C -0.738 174.227 174.900 0.109 0.000 1.206 481 G CA -0.511 44.646 45.100 0.095 0.000 0.861 481 G HN 0.447 nan 8.290 nan 0.000 0.561 482 F N 0.227 120.186 119.950 0.016 0.000 2.456 482 F HA 0.427 5.007 4.527 0.088 0.000 0.358 482 F C 0.482 176.291 175.800 0.015 0.000 1.095 482 F CA -0.358 57.646 58.000 0.007 0.000 1.216 482 F CB 1.057 40.061 39.000 0.007 0.000 1.125 482 F HN 0.453 nan 8.300 nan 0.000 0.549 483 E N 3.917 123.767 120.200 -0.584 0.000 2.256 483 E HA 0.341 4.744 4.350 0.088 0.000 0.268 483 E C -1.156 175.079 176.600 -0.607 0.000 0.877 483 E CA -0.766 55.423 56.400 -0.351 0.000 0.757 483 E CB 1.520 31.102 29.700 -0.198 0.000 1.183 483 E HN 0.633 nan 8.360 nan 0.000 0.418 484 S N 2.444 118.003 115.700 -0.235 0.000 2.576 484 S HA 0.032 4.555 4.470 0.088 0.000 0.276 484 S C -0.585 173.980 174.600 -0.058 0.000 1.339 484 S CA -0.402 57.734 58.200 -0.106 0.000 1.039 484 S CB 0.194 63.475 63.200 0.136 0.000 0.902 484 S HN 0.483 nan 8.310 nan 0.000 0.516 485 Y N 2.164 122.384 120.300 -0.133 0.000 2.610 485 Y HA -0.002 4.600 4.550 0.087 0.000 0.332 485 Y C 0.836 176.709 175.900 -0.046 0.000 1.201 485 Y CA 0.105 58.144 58.100 -0.102 0.000 1.465 485 Y CB 0.237 38.639 38.460 -0.097 0.000 1.283 485 Y HN 0.575 nan 8.280 nan 0.000 0.563 486 Q N 5.129 124.555 119.800 -0.622 0.000 3.247 486 Q HA 0.029 4.421 4.340 0.088 0.000 0.326 486 Q C -0.323 175.374 176.000 -0.505 0.000 1.402 486 Q CA -0.083 55.462 55.803 -0.429 0.000 0.994 486 Q CB -0.168 28.386 28.738 -0.306 0.000 1.647 486 Q HN 0.638 nan 8.270 nan 0.000 0.523 487 E N 1.538 121.527 120.200 -0.352 0.000 2.414 487 E HA -0.008 4.395 4.350 0.088 0.000 0.263 487 E C -0.126 176.437 176.600 -0.061 0.000 1.000 487 E CA -0.533 55.789 56.400 -0.130 0.000 0.914 487 E CB 0.635 30.394 29.700 0.099 0.000 0.948 487 E HN 0.135 nan 8.360 nan 0.000 0.444 488 R N 3.319 123.806 120.500 -0.022 0.000 2.401 488 R HA 0.173 4.565 4.340 0.088 0.000 0.299 488 R C -1.598 174.721 176.300 0.032 0.000 1.064 488 R CA -0.177 55.923 56.100 -0.000 0.000 1.000 488 R CB 0.656 30.964 30.300 0.013 0.000 0.973 488 R HN 0.268 nan 8.270 nan 0.000 0.438 489 V N 5.012 124.939 119.914 0.022 0.000 2.417 489 V HA 0.460 4.633 4.120 0.088 0.000 0.291 489 V C -0.350 175.757 176.094 0.022 0.000 1.024 489 V CA -0.604 61.714 62.300 0.030 0.000 0.861 489 V CB 1.396 33.234 31.823 0.025 0.000 0.985 489 V HN 0.874 nan 8.190 nan 0.000 0.436 490 E N 2.869 123.084 120.200 0.024 0.000 2.313 490 E HA 0.643 5.045 4.350 0.088 0.000 0.280 490 E C -0.482 176.125 176.600 0.010 0.000 0.898 490 E CA -0.162 56.246 56.400 0.014 0.000 0.803 490 E CB 1.914 31.622 29.700 0.013 0.000 1.286 490 E HN 0.998 nan 8.360 nan 0.000 0.401 491 G N 2.726 111.527 108.800 0.002 0.000 2.321 491 G HA2 0.082 4.095 3.960 0.088 0.000 0.298 491 G HA3 0.082 4.095 3.960 0.088 0.000 0.298 491 G C -1.422 173.473 174.900 -0.009 0.000 1.385 491 G CA -0.983 44.114 45.100 -0.004 0.000 0.856 491 G HN 0.406 nan 8.290 nan 0.000 0.584 492 N N 0.083 118.775 118.700 -0.014 0.000 2.463 492 N HA 0.339 5.132 4.740 0.088 0.000 0.270 492 N C -0.046 175.453 175.510 -0.020 0.000 1.205 492 N CA -0.210 52.831 53.050 -0.016 0.000 0.974 492 N CB 0.758 39.235 38.487 -0.018 0.000 1.197 492 N HN 0.472 nan 8.380 nan 0.000 0.504 493 K N 0.867 121.255 120.400 -0.020 0.000 2.336 493 K HA 0.201 4.573 4.320 0.088 0.000 0.290 493 K C -0.411 176.170 176.600 -0.032 0.000 1.067 493 K CA -0.214 56.058 56.287 -0.025 0.000 0.962 493 K CB -0.115 32.372 32.500 -0.022 0.000 1.008 493 K HN 0.338 nan 8.250 nan 0.000 0.467 494 V N 0.182 120.072 119.914 -0.040 0.000 2.876 494 V HA 0.491 4.663 4.120 0.088 0.000 0.312 494 V C -0.476 175.580 176.094 -0.064 0.000 1.085 494 V CA -1.324 60.947 62.300 -0.048 0.000 0.945 494 V CB 2.073 33.868 31.823 -0.047 0.000 1.017 494 V HN 0.616 nan 8.190 nan 0.000 0.428 495 R N 2.402 122.859 120.500 -0.072 0.000 2.471 495 R HA 0.590 4.983 4.340 0.088 0.000 0.292 495 R C -0.551 175.696 176.300 -0.087 0.000 1.192 495 R CA -0.154 55.890 56.100 -0.094 0.000 1.257 495 R CB 0.918 31.151 30.300 -0.113 0.000 1.130 495 R HN 0.959 nan 8.270 nan 0.000 0.558 496 E N 1.975 122.121 120.200 -0.091 0.000 2.343 496 E HA 0.264 4.666 4.350 0.088 0.000 0.278 496 E C -1.280 175.247 176.600 -0.121 0.000 0.910 496 E CA -1.009 55.339 56.400 -0.087 0.000 0.757 496 E CB 1.774 31.431 29.700 -0.071 0.000 1.218 496 E HN 0.104 nan 8.360 nan 0.000 0.435 497 R N 1.455 121.885 120.500 -0.118 0.000 2.390 497 R HA 0.262 4.654 4.340 0.088 0.000 0.291 497 R C -0.604 175.573 176.300 -0.205 0.000 1.070 497 R CA -0.006 55.983 56.100 -0.185 0.000 1.014 497 R CB 1.352 31.600 30.300 -0.085 0.000 1.007 497 R HN 0.400 nan 8.270 nan 0.000 0.466 498 S N 4.433 119.904 115.700 -0.381 0.000 2.549 498 S HA 0.154 4.677 4.470 0.088 0.000 0.283 498 S C -1.568 173.011 174.600 -0.035 0.000 1.320 498 S CA -1.252 56.825 58.200 -0.204 0.000 1.058 498 S CB 0.739 63.781 63.200 -0.264 0.000 0.882 498 S HN 0.529 nan 8.310 nan 0.000 0.498 499 P HA -0.142 nan 4.420 nan 0.000 0.216 499 P C 1.667 179.018 177.300 0.086 0.000 1.150 499 P CA 1.484 64.606 63.100 0.037 0.000 0.843 499 P CB -0.084 31.627 31.700 0.018 0.000 0.787 500 S N -1.742 114.048 115.700 0.151 0.000 2.420 500 S HA -0.180 4.342 4.470 0.088 0.000 0.237 500 S C 1.489 176.246 174.600 0.261 0.000 1.023 500 S CA 1.216 59.538 58.200 0.205 0.000 0.991 500 S CB -1.515 61.843 63.200 0.264 0.000 0.792 500 S HN 0.004 nan 8.310 nan 0.000 0.488 501 F N 2.129 122.069 119.950 -0.017 0.000 2.797 501 F HA 0.395 4.975 4.527 0.087 0.000 0.302 501 F C 1.904 177.634 175.800 -0.117 0.000 1.130 501 F CA -0.800 57.185 58.000 -0.026 0.000 1.387 501 F CB -0.601 38.415 39.000 0.028 0.000 1.107 501 F HN 0.339 nan 8.300 nan 0.000 0.577 502 G N 0.736 109.533 108.800 -0.005 0.000 3.541 502 G HA2 0.156 4.168 3.960 0.088 0.000 0.253 502 G HA3 0.156 4.168 3.960 0.088 0.000 0.253 502 G C -0.161 174.349 174.900 -0.650 0.000 1.017 502 G CA 0.106 45.021 45.100 -0.309 0.000 1.832 502 G HN 0.041 nan 8.290 nan 0.000 0.649 503 E N 0.484 120.200 120.200 -0.807 0.000 2.281 503 E HA 0.273 4.675 4.350 0.088 0.000 0.266 503 E C -0.952 175.271 176.600 -0.629 0.000 0.893 503 E CA -0.711 55.320 56.400 -0.615 0.000 0.798 503 E CB 1.419 30.989 29.700 -0.217 0.000 1.245 503 E HN 0.246 nan 8.360 nan 0.000 0.410 504 Y N 2.654 122.778 120.300 -0.293 0.000 2.471 504 Y HA 0.210 4.813 4.550 0.088 0.000 0.249 504 Y C 0.680 176.326 175.900 -0.423 0.000 1.116 504 Y CA -0.098 57.732 58.100 -0.450 0.000 1.240 504 Y CB 0.425 38.438 38.460 -0.744 0.000 1.251 504 Y HN 0.417 nan 8.280 nan 0.000 0.527 505 Y N -1.504 118.886 120.300 0.151 0.000 2.430 505 Y HA 0.107 4.709 4.550 0.088 0.000 0.254 505 Y C 2.342 178.301 175.900 0.099 0.000 1.088 505 Y CA 0.137 58.314 58.100 0.129 0.000 1.267 505 Y CB -0.210 38.331 38.460 0.134 0.000 1.204 505 Y HN 0.057 nan 8.280 nan 0.000 0.515 506 S N -0.845 114.988 115.700 0.222 0.000 2.402 506 S HA -0.181 4.341 4.470 0.088 0.000 0.229 506 S C 1.395 176.061 174.600 0.110 0.000 1.021 506 S CA 1.533 59.840 58.200 0.178 0.000 0.974 506 S CB -0.506 62.806 63.200 0.186 0.000 0.800 506 S HN 0.436 nan 8.310 nan 0.000 0.484 507 H N 2.688 121.674 119.070 -0.140 0.000 2.363 507 H HA 0.208 4.817 4.556 0.088 0.000 0.301 507 H C -0.687 174.398 175.328 -0.405 0.000 1.074 507 H CA 1.200 57.006 56.048 -0.404 0.000 1.354 507 H CB -1.594 27.749 29.762 -0.699 0.000 1.397 507 H HN 0.383 nan 8.280 nan 0.000 0.516 508 P HA -0.170 nan 4.420 nan 0.000 0.216 508 P C 1.442 178.905 177.300 0.271 0.000 1.153 508 P CA 1.663 64.883 63.100 0.200 0.000 0.858 508 P CB 0.112 31.965 31.700 0.255 0.000 0.789 509 R N -0.494 120.119 120.500 0.188 0.000 2.073 509 R HA -0.094 4.298 4.340 0.088 0.000 0.229 509 R C 2.156 178.567 176.300 0.184 0.000 1.120 509 R CA 0.967 57.183 56.100 0.194 0.000 0.967 509 R CB -0.985 29.395 30.300 0.133 0.000 0.862 509 R HN 0.076 nan 8.270 nan 0.000 0.436 510 L N 0.403 121.679 121.223 0.088 0.000 2.046 510 L HA -0.129 4.264 4.340 0.088 0.000 0.208 510 L C 1.988 178.903 176.870 0.074 0.000 1.077 510 L CA 1.692 56.550 54.840 0.030 0.000 0.747 510 L CB -0.681 41.325 42.059 -0.089 0.000 0.896 510 L HN 0.208 nan 8.230 nan 0.000 0.432 511 F N -0.555 119.404 119.950 0.016 0.000 2.102 511 F HA -0.270 4.309 4.527 0.088 0.000 0.298 511 F C 2.305 178.095 175.800 -0.016 0.000 1.105 511 F CA 2.131 60.118 58.000 -0.022 0.000 1.239 511 F CB -0.834 38.178 39.000 0.020 0.000 0.991 511 F HN 0.393 nan 8.300 nan 0.000 0.474 512 W N 1.349 122.583 121.300 -0.109 0.000 2.335 512 W HA -0.251 4.461 4.660 0.087 0.000 0.311 512 W C 1.874 178.254 176.519 -0.233 0.000 1.213 512 W CA 1.938 59.178 57.345 -0.174 0.000 1.274 512 W CB -0.748 28.718 29.460 0.009 0.000 1.148 512 W HN 0.096 nan 8.180 nan 0.000 0.498 513 L N 1.051 122.188 121.223 -0.143 0.000 2.275 513 L HA -0.189 4.203 4.340 0.088 0.000 0.215 513 L C 2.412 179.105 176.870 -0.295 0.000 1.119 513 L CA 1.286 55.997 54.840 -0.215 0.000 0.790 513 L CB -0.774 41.270 42.059 -0.025 0.000 0.919 513 L HN -0.132 nan 8.230 nan 0.000 0.443 514 S N -1.411 114.097 115.700 -0.320 0.000 2.527 514 S HA 0.015 4.538 4.470 0.088 0.000 0.222 514 S C 0.744 175.073 174.600 -0.451 0.000 0.985 514 S CA 0.226 58.233 58.200 -0.322 0.000 0.921 514 S CB -0.022 63.027 63.200 -0.253 0.000 0.772 514 S HN 0.312 nan 8.310 nan 0.000 0.529 515 Q N 2.251 121.676 119.800 -0.625 0.000 2.299 515 Q HA 0.264 4.656 4.340 0.088 0.000 0.246 515 Q C 0.644 176.266 176.000 -0.631 0.000 0.935 515 Q CA -0.087 55.307 55.803 -0.682 0.000 0.887 515 Q CB 0.439 28.686 28.738 -0.818 0.000 1.223 515 Q HN 0.435 nan 8.270 nan 0.000 0.439 516 T N -1.530 112.616 114.554 -0.680 0.000 2.748 516 T HA 0.128 4.531 4.350 0.088 0.000 0.304 516 T C -1.726 172.532 174.700 -0.738 0.000 1.041 516 T CA -1.229 60.433 62.100 -0.730 0.000 1.033 516 T CB 0.243 68.429 68.868 -1.136 0.000 0.995 516 T HN 0.245 nan 8.240 nan 0.000 0.536 517 P HA -0.011 nan 4.420 nan 0.000 0.217 517 P C 1.357 178.447 177.300 -0.350 0.000 1.150 517 P CA 0.932 63.808 63.100 -0.374 0.000 0.832 517 P CB -0.234 31.356 31.700 -0.183 0.000 0.787 518 F N -0.130 119.616 119.950 -0.340 0.000 2.293 518 F HA 0.102 4.682 4.527 0.087 0.000 0.297 518 F C 1.759 177.198 175.800 -0.602 0.000 1.089 518 F CA 0.727 58.461 58.000 -0.444 0.000 1.377 518 F CB -1.578 37.161 39.000 -0.435 0.000 1.051 518 F HN -0.118 nan 8.300 nan 0.000 0.511 519 E N 0.564 120.228 120.200 -0.892 0.000 2.106 519 E HA -0.202 4.200 4.350 0.088 0.000 0.192 519 E C 2.164 178.566 176.600 -0.329 0.000 0.984 519 E CA 1.406 57.504 56.400 -0.503 0.000 0.806 519 E CB -0.276 29.064 29.700 -0.601 0.000 0.750 519 E HN 0.631 nan 8.360 nan 0.000 0.458 520 Q N 0.269 119.783 119.800 -0.476 0.000 2.079 520 Q HA -0.178 4.215 4.340 0.088 0.000 0.200 520 Q C 2.231 178.216 176.000 -0.024 0.000 0.974 520 Q CA 1.130 56.649 55.803 -0.474 0.000 0.840 520 Q CB -0.100 28.072 28.738 -0.944 0.000 0.898 520 Q HN -0.024 nan 8.270 nan 0.000 0.430 521 R N 0.557 121.036 120.500 -0.035 0.000 2.081 521 R HA -0.147 4.246 4.340 0.088 0.000 0.235 521 R C 1.535 177.996 176.300 0.269 0.000 1.131 521 R CA 1.907 58.080 56.100 0.121 0.000 0.960 521 R CB -0.603 29.736 30.300 0.065 0.000 0.856 521 R HN 0.487 nan 8.270 nan 0.000 0.436 522 H N -0.752 118.406 119.070 0.146 0.000 2.389 522 H HA -0.015 4.594 4.556 0.088 0.000 0.299 522 H C 2.020 177.457 175.328 0.180 0.000 1.081 522 H CA 1.246 57.395 56.048 0.168 0.000 1.345 522 H CB 0.023 29.892 29.762 0.178 0.000 1.393 522 H HN 0.164 nan 8.280 nan 0.000 0.520 523 I N 0.160 120.942 120.570 0.352 0.000 2.142 523 I HA -0.277 3.945 4.170 0.088 0.000 0.240 523 I C 2.356 178.760 176.117 0.477 0.000 1.078 523 I CA 0.886 62.432 61.300 0.410 0.000 1.343 523 I CB -0.253 38.093 38.000 0.578 0.000 1.046 523 I HN 0.077 nan 8.210 nan 0.000 0.405 524 V N 1.055 121.253 119.914 0.472 0.000 2.250 524 V HA -0.361 3.811 4.120 0.088 0.000 0.250 524 V C 2.102 178.375 176.094 0.298 0.000 1.060 524 V CA 2.288 64.814 62.300 0.376 0.000 1.030 524 V CB -0.722 31.279 31.823 0.296 0.000 0.643 524 V HN 0.436 nan 8.190 nan 0.000 0.445 525 D N 0.234 120.787 120.400 0.254 0.000 2.144 525 D HA -0.100 4.592 4.640 0.088 0.000 0.199 525 D C 2.144 178.515 176.300 0.118 0.000 0.984 525 D CA 1.531 55.647 54.000 0.194 0.000 0.834 525 D CB -0.617 40.305 40.800 0.204 0.000 0.955 525 D HN 0.494 nan 8.370 nan 0.000 0.465 526 G N 0.102 108.946 108.800 0.073 0.000 2.453 526 G HA2 -0.247 3.765 3.960 0.088 0.000 0.215 526 G HA3 -0.247 3.765 3.960 0.088 0.000 0.215 526 G C 1.470 176.358 174.900 -0.019 0.000 1.201 526 G CA 0.247 45.289 45.100 -0.097 0.000 0.784 526 G HN 0.166 nan 8.290 nan 0.000 0.545 527 F N 1.866 121.858 119.950 0.070 0.000 2.065 527 F HA -0.125 4.455 4.527 0.088 0.000 0.298 527 F C 3.224 178.958 175.800 -0.111 0.000 1.112 527 F CA 1.763 59.745 58.000 -0.030 0.000 1.212 527 F CB -0.528 38.461 39.000 -0.019 0.000 0.975 527 F HN 0.087 nan 8.300 nan 0.000 0.476 528 S N -0.150 115.650 115.700 0.167 0.000 2.370 528 S HA -0.232 4.291 4.470 0.088 0.000 0.226 528 S C 1.856 176.487 174.600 0.052 0.000 1.033 528 S CA 1.449 59.697 58.200 0.079 0.000 1.011 528 S CB -0.833 62.433 63.200 0.111 0.000 0.852 528 S HN 0.411 nan 8.310 nan 0.000 0.457 529 F N 2.476 122.394 119.950 -0.054 0.000 2.146 529 F HA -0.048 4.532 4.527 0.087 0.000 0.298 529 F C 2.240 177.991 175.800 -0.081 0.000 1.096 529 F CA 1.315 59.280 58.000 -0.057 0.000 1.275 529 F CB -0.282 38.650 39.000 -0.115 0.000 1.008 529 F HN 0.131 nan 8.300 nan 0.000 0.480 530 E N 0.181 120.402 120.200 0.036 0.000 2.072 530 E HA -0.162 4.240 4.350 0.088 0.000 0.191 530 E C 2.069 178.493 176.600 -0.294 0.000 0.985 530 E CA 1.225 57.607 56.400 -0.031 0.000 0.801 530 E CB -0.357 29.466 29.700 0.205 0.000 0.750 530 E HN 0.353 nan 8.360 nan 0.000 0.452 531 L N 0.907 121.872 121.223 -0.431 0.000 2.291 531 L HA -0.047 4.346 4.340 0.088 0.000 0.214 531 L C 2.227 178.943 176.870 -0.257 0.000 1.120 531 L CA 1.093 55.655 54.840 -0.463 0.000 0.799 531 L CB -0.451 41.344 42.059 -0.440 0.000 0.925 531 L HN -0.077 nan 8.230 nan 0.000 0.446 532 S N -0.574 114.994 115.700 -0.219 0.000 2.447 532 S HA -0.082 4.441 4.470 0.088 0.000 0.233 532 S C 1.685 176.181 174.600 -0.173 0.000 1.006 532 S CA 0.894 58.988 58.200 -0.177 0.000 0.957 532 S CB -0.076 63.008 63.200 -0.192 0.000 0.773 532 S HN 0.336 nan 8.310 nan 0.000 0.507 533 K N 1.104 121.383 120.400 -0.203 0.000 2.404 533 K HA 0.250 4.622 4.320 0.088 0.000 0.194 533 K C -0.019 176.578 176.600 -0.005 0.000 1.023 533 K CA 0.045 56.267 56.287 -0.109 0.000 1.094 533 K CB -0.026 32.401 32.500 -0.121 0.000 0.841 533 K HN 0.182 nan 8.250 nan 0.000 0.523 534 V N 2.033 121.921 119.914 -0.042 0.000 2.488 534 V HA 0.002 4.175 4.120 0.088 0.000 0.277 534 V C 1.754 177.841 176.094 -0.012 0.000 1.046 534 V CA -0.088 62.216 62.300 0.008 0.000 0.986 534 V CB 1.462 33.257 31.823 -0.048 0.000 0.989 534 V HN -0.125 nan 8.190 nan 0.000 0.475 535 V N 5.080 125.007 119.914 0.021 0.000 2.379 535 V HA -0.039 4.134 4.120 0.088 0.000 0.245 535 V C 1.308 177.393 176.094 -0.015 0.000 1.044 535 V CA 1.280 63.589 62.300 0.014 0.000 1.036 535 V CB -0.451 31.396 31.823 0.039 0.000 0.664 535 V HN 0.750 nan 8.190 nan 0.000 0.453 536 R N 0.908 121.375 120.500 -0.056 0.000 2.220 536 R HA 0.184 4.577 4.340 0.088 0.000 0.340 536 R C -1.709 174.491 176.300 -0.167 0.000 1.076 536 R CA -1.465 54.578 56.100 -0.095 0.000 0.920 536 R CB 0.671 30.852 30.300 -0.200 0.000 1.062 536 R HN 0.255 nan 8.270 nan 0.000 0.469 537 P HA -0.211 nan 4.420 nan 0.000 0.218 537 P C 0.744 178.027 177.300 -0.029 0.000 1.148 537 P CA 1.203 64.286 63.100 -0.030 0.000 0.822 537 P CB -0.011 31.705 31.700 0.026 0.000 0.784 538 Y N -1.248 119.054 120.300 0.004 0.000 2.274 538 Y HA -0.096 4.506 4.550 0.088 0.000 0.290 538 Y C 1.985 177.893 175.900 0.014 0.000 1.145 538 Y CA 0.720 58.824 58.100 0.005 0.000 1.203 538 Y CB -1.859 36.604 38.460 0.005 0.000 0.984 538 Y HN -0.117 nan 8.280 nan 0.000 0.533 539 I N 0.890 121.039 120.570 -0.703 0.000 2.226 539 I HA -0.265 3.957 4.170 0.088 0.000 0.245 539 I C 2.571 178.606 176.117 -0.137 0.000 1.100 539 I CA 1.495 62.569 61.300 -0.375 0.000 1.374 539 I CB -0.406 37.368 38.000 -0.377 0.000 1.057 539 I HN 0.186 nan 8.210 nan 0.000 0.413 540 R N 0.775 121.188 120.500 -0.144 0.000 2.091 540 R HA -0.196 4.197 4.340 0.088 0.000 0.238 540 R C 2.149 178.407 176.300 -0.069 0.000 1.136 540 R CA 1.605 57.633 56.100 -0.119 0.000 0.959 540 R CB -0.445 29.784 30.300 -0.118 0.000 0.856 540 R HN 0.470 nan 8.270 nan 0.000 0.437 541 E N 0.457 120.637 120.200 -0.032 0.000 2.077 541 E HA -0.170 4.232 4.350 0.088 0.000 0.193 541 E C 2.118 178.728 176.600 0.017 0.000 0.989 541 E CA 1.074 57.474 56.400 0.000 0.000 0.800 541 E CB -0.040 29.681 29.700 0.036 0.000 0.746 541 E HN 0.296 nan 8.360 nan 0.000 0.452 542 R N 0.338 120.864 120.500 0.042 0.000 2.120 542 R HA -0.087 4.306 4.340 0.088 0.000 0.234 542 R C 2.359 178.687 176.300 0.047 0.000 1.123 542 R CA 0.892 57.027 56.100 0.059 0.000 0.975 542 R CB -0.217 30.136 30.300 0.088 0.000 0.866 542 R HN 0.045 nan 8.270 nan 0.000 0.446 543 V N 0.232 120.169 119.914 0.037 0.000 2.358 543 V HA -0.186 3.987 4.120 0.088 0.000 0.246 543 V C 2.264 178.347 176.094 -0.018 0.000 1.047 543 V CA 1.396 63.731 62.300 0.057 0.000 1.035 543 V CB -0.236 31.638 31.823 0.086 0.000 0.658 543 V HN 0.113 nan 8.190 nan 0.000 0.452 544 V N 0.640 120.520 119.914 -0.058 0.000 2.287 544 V HA -0.340 3.832 4.120 0.088 0.000 0.248 544 V C 2.345 178.405 176.094 -0.057 0.000 1.053 544 V CA 2.586 64.830 62.300 -0.094 0.000 1.027 544 V CB -0.690 31.082 31.823 -0.085 0.000 0.646 544 V HN 0.680 nan 8.190 nan 0.000 0.447 545 D N -0.961 119.436 120.400 -0.004 0.000 2.149 545 D HA -0.209 4.483 4.640 0.088 0.000 0.198 545 D C 2.228 178.610 176.300 0.138 0.000 0.990 545 D CA 1.144 55.173 54.000 0.048 0.000 0.839 545 D CB -0.015 40.827 40.800 0.069 0.000 0.948 545 D HN 0.312 nan 8.370 nan 0.000 0.460 546 Q N -0.221 119.636 119.800 0.095 0.000 2.119 546 Q HA -0.050 4.343 4.340 0.088 0.000 0.201 546 Q C 2.483 178.525 176.000 0.070 0.000 0.972 546 Q CA 0.671 56.544 55.803 0.116 0.000 0.847 546 Q CB -0.332 28.485 28.738 0.132 0.000 0.903 546 Q HN 0.463 nan 8.270 nan 0.000 0.433 547 L N -0.123 121.071 121.223 -0.049 0.000 2.201 547 L HA -0.082 4.311 4.340 0.088 0.000 0.212 547 L C 2.233 178.995 176.870 -0.179 0.000 1.105 547 L CA 0.860 55.593 54.840 -0.178 0.000 0.775 547 L CB -0.619 41.231 42.059 -0.348 0.000 0.913 547 L HN 0.072 nan 8.230 nan 0.000 0.440 548 A N -0.672 122.067 122.820 -0.135 0.000 2.067 548 A HA -0.185 4.188 4.320 0.088 0.000 0.219 548 A C 1.727 179.141 177.584 -0.283 0.000 1.158 548 A CA 1.151 53.069 52.037 -0.198 0.000 0.661 548 A CB -0.673 18.213 19.000 -0.190 0.000 0.801 548 A HN 0.435 nan 8.150 nan 0.000 0.452 549 H N -1.345 117.524 119.070 -0.335 0.000 2.551 549 H HA 0.280 4.888 4.556 0.088 0.000 0.266 549 H C 1.514 176.585 175.328 -0.429 0.000 0.977 549 H CA 0.940 56.661 56.048 -0.545 0.000 1.163 549 H CB 0.107 29.128 29.762 -1.234 0.000 1.381 549 H HN 0.499 nan 8.280 nan 0.000 0.581 550 I N -1.284 119.200 120.570 -0.144 0.000 3.136 550 I HA 0.098 4.320 4.170 0.088 0.000 0.262 550 I C -0.159 175.882 176.117 -0.127 0.000 1.132 550 I CA 0.353 61.626 61.300 -0.045 0.000 1.450 550 I CB 0.765 38.765 38.000 -0.000 0.000 1.315 550 I HN 0.080 nan 8.210 nan 0.000 0.460 551 D N -0.370 119.885 120.400 -0.242 0.000 2.937 551 D HA 0.152 4.845 4.640 0.088 0.000 0.215 551 D C 0.257 176.401 176.300 -0.259 0.000 1.274 551 D CA -0.406 53.437 54.000 -0.263 0.000 0.869 551 D CB 1.515 42.022 40.800 -0.489 0.000 1.675 551 D HN -0.063 nan 8.370 nan 0.000 0.538 552 L N 3.058 124.186 121.223 -0.158 0.000 2.093 552 L HA -0.057 4.335 4.340 0.088 0.000 0.208 552 L C 1.250 178.047 176.870 -0.121 0.000 1.085 552 L CA 1.966 56.724 54.840 -0.136 0.000 0.755 552 L CB -0.745 41.259 42.059 -0.092 0.000 0.904 552 L HN 0.605 nan 8.230 nan 0.000 0.435 553 T N 1.050 115.560 114.554 -0.073 0.000 2.708 553 T HA -0.218 4.184 4.350 0.088 0.000 0.266 553 T C 1.868 176.521 174.700 -0.078 0.000 1.037 553 T CA 1.676 63.773 62.100 -0.005 0.000 1.146 553 T CB -0.432 68.514 68.868 0.131 0.000 0.865 553 T HN 0.319 nan 8.240 nan 0.000 0.435 554 L N 1.799 122.829 121.223 -0.321 0.000 1.989 554 L HA -0.011 4.381 4.340 0.088 0.000 0.211 554 L C 2.613 179.268 176.870 -0.357 0.000 1.071 554 L CA 2.188 56.675 54.840 -0.589 0.000 0.749 554 L CB -1.230 40.050 42.059 -1.298 0.000 0.890 554 L HN 0.222 nan 8.230 nan 0.000 0.431 555 A N -1.039 121.588 122.820 -0.322 0.000 1.902 555 A HA -0.254 4.118 4.320 0.088 0.000 0.217 555 A C 2.183 179.677 177.584 -0.151 0.000 1.181 555 A CA 1.904 53.798 52.037 -0.238 0.000 0.623 555 A CB -0.652 18.225 19.000 -0.205 0.000 0.818 555 A HN 0.720 nan 8.150 nan 0.000 0.443 556 Q N -0.726 119.007 119.800 -0.111 0.000 2.119 556 Q HA -0.060 4.332 4.340 0.088 0.000 0.201 556 Q C 2.411 178.387 176.000 -0.039 0.000 0.972 556 Q CA 1.221 56.986 55.803 -0.064 0.000 0.847 556 Q CB -0.371 28.341 28.738 -0.042 0.000 0.903 556 Q HN 0.681 nan 8.270 nan 0.000 0.433 557 A N 0.519 123.323 122.820 -0.026 0.000 1.933 557 A HA -0.122 4.250 4.320 0.088 0.000 0.218 557 A C 2.337 179.928 177.584 0.012 0.000 1.175 557 A CA 1.232 53.280 52.037 0.018 0.000 0.628 557 A CB -0.575 18.468 19.000 0.072 0.000 0.814 557 A HN 0.195 nan 8.150 nan 0.000 0.444 558 V N -0.159 119.736 119.914 -0.032 0.000 2.307 558 V HA -0.211 3.961 4.120 0.088 0.000 0.245 558 V C 3.069 179.137 176.094 -0.043 0.000 1.045 558 V CA 1.816 64.095 62.300 -0.036 0.000 1.024 558 V CB -1.326 30.427 31.823 -0.117 0.000 0.651 558 V HN 0.602 nan 8.190 nan 0.000 0.449 559 A N 0.231 123.013 122.820 -0.063 0.000 1.917 559 A HA -0.326 4.047 4.320 0.088 0.000 0.219 559 A C 2.355 179.924 177.584 -0.025 0.000 1.182 559 A CA 2.500 54.507 52.037 -0.049 0.000 0.633 559 A CB -0.582 18.386 19.000 -0.053 0.000 0.819 559 A HN 0.569 nan 8.150 nan 0.000 0.448 560 K N -0.626 119.766 120.400 -0.013 0.000 2.097 560 K HA -0.184 4.189 4.320 0.088 0.000 0.206 560 K C 1.391 177.998 176.600 0.011 0.000 1.049 560 K CA 1.565 57.854 56.287 0.002 0.000 0.933 560 K CB -0.245 32.262 32.500 0.011 0.000 0.717 560 K HN 0.401 nan 8.250 nan 0.000 0.442 561 N N 0.865 119.576 118.700 0.018 0.000 2.381 561 N HA -0.088 4.705 4.740 0.088 0.000 0.182 561 N C 1.383 176.899 175.510 0.010 0.000 1.025 561 N CA 0.832 53.899 53.050 0.028 0.000 0.888 561 N CB 0.048 38.565 38.487 0.050 0.000 0.965 561 N HN 0.287 nan 8.380 nan 0.000 0.438 562 L N -0.936 120.282 121.223 -0.009 0.000 2.607 562 L HA 0.236 4.629 4.340 0.088 0.000 0.228 562 L C 0.953 177.814 176.870 -0.017 0.000 1.123 562 L CA 0.033 54.859 54.840 -0.023 0.000 0.890 562 L CB -0.126 41.906 42.059 -0.046 0.000 1.103 562 L HN 0.103 nan 8.230 nan 0.000 0.468 563 G N 1.536 110.332 108.800 -0.008 0.000 2.198 563 G HA2 -0.278 3.735 3.960 0.088 0.000 0.257 563 G HA3 -0.278 3.735 3.960 0.088 0.000 0.257 563 G C -0.019 174.876 174.900 -0.009 0.000 1.042 563 G CA 0.009 45.106 45.100 -0.004 0.000 0.791 563 G HN 0.312 nan 8.290 nan 0.000 0.502 564 I N -0.202 120.359 120.570 -0.015 0.000 2.441 564 I HA 0.491 4.713 4.170 0.088 0.000 0.295 564 I C 0.191 176.297 176.117 -0.019 0.000 0.994 564 I CA -0.767 60.522 61.300 -0.018 0.000 1.144 564 I CB 1.994 39.977 38.000 -0.027 0.000 1.314 564 I HN 0.163 nan 8.210 nan 0.000 0.445 565 E N 6.217 126.407 120.200 -0.016 0.000 2.145 565 E HA 0.435 4.837 4.350 0.088 0.000 0.270 565 E C -0.992 175.594 176.600 -0.023 0.000 0.906 565 E CA -0.662 55.728 56.400 -0.018 0.000 0.761 565 E CB 1.208 30.901 29.700 -0.012 0.000 1.116 565 E HN 0.471 nan 8.360 nan 0.000 0.408 566 L N 3.439 124.643 121.223 -0.032 0.000 2.483 566 L HA 0.114 4.506 4.340 0.088 0.000 0.276 566 L C 1.071 177.921 176.870 -0.033 0.000 1.213 566 L CA -0.006 54.810 54.840 -0.039 0.000 0.843 566 L CB 0.351 42.378 42.059 -0.053 0.000 1.107 566 L HN 0.697 nan 8.230 nan 0.000 0.487 567 T N -2.269 112.264 114.554 -0.034 0.000 2.788 567 T HA 0.046 4.449 4.350 0.088 0.000 0.280 567 T C 0.656 175.334 174.700 -0.036 0.000 0.984 567 T CA -0.572 61.510 62.100 -0.029 0.000 0.972 567 T CB 1.059 69.912 68.868 -0.024 0.000 1.039 567 T HN 0.620 nan 8.240 nan 0.000 0.530 568 D N -0.041 120.341 120.400 -0.030 0.000 2.144 568 D HA -0.041 4.651 4.640 0.088 0.000 0.200 568 D C 1.387 177.661 176.300 -0.043 0.000 0.978 568 D CA 1.071 55.051 54.000 -0.033 0.000 0.833 568 D CB -0.148 40.637 40.800 -0.025 0.000 0.961 568 D HN 0.656 nan 8.370 nan 0.000 0.470 569 D N -0.089 120.286 120.400 -0.042 0.000 2.117 569 D HA -0.164 4.529 4.640 0.088 0.000 0.197 569 D C 1.946 178.195 176.300 -0.084 0.000 0.987 569 D CA 0.857 54.825 54.000 -0.053 0.000 0.829 569 D CB -0.242 40.534 40.800 -0.039 0.000 0.961 569 D HN 0.307 nan 8.370 nan 0.000 0.460 570 Q N -0.437 119.313 119.800 -0.084 0.000 2.124 570 Q HA -0.090 4.302 4.340 0.088 0.000 0.202 570 Q C 1.804 177.729 176.000 -0.127 0.000 0.977 570 Q CA 0.587 56.318 55.803 -0.120 0.000 0.850 570 Q CB -0.063 28.619 28.738 -0.093 0.000 0.901 570 Q HN 0.190 nan 8.270 nan 0.000 0.429 571 L N 0.532 121.701 121.223 -0.090 0.000 2.275 571 L HA -0.144 4.249 4.340 0.088 0.000 0.215 571 L C 0.631 177.452 176.870 -0.082 0.000 1.119 571 L CA 1.679 56.471 54.840 -0.080 0.000 0.790 571 L CB -0.225 41.800 42.059 -0.056 0.000 0.919 571 L HN 0.189 nan 8.230 nan 0.000 0.443 572 N N -1.613 117.036 118.700 -0.086 0.000 2.238 572 N HA 0.227 5.019 4.740 0.088 0.000 0.222 572 N C -0.066 175.383 175.510 -0.102 0.000 1.133 572 N CA -0.180 52.823 53.050 -0.077 0.000 0.854 572 N CB 0.453 38.907 38.487 -0.055 0.000 1.041 572 N HN 0.153 nan 8.380 nan 0.000 0.510 573 I N 1.510 121.986 120.570 -0.156 0.000 2.618 573 I HA -0.044 4.179 4.170 0.088 0.000 0.284 573 I C 0.446 176.470 176.117 -0.154 0.000 1.146 573 I CA 0.240 61.414 61.300 -0.211 0.000 1.425 573 I CB 0.568 38.324 38.000 -0.408 0.000 1.383 573 I HN 0.097 nan 8.210 nan 0.000 0.562 574 T N 8.158 122.647 114.554 -0.108 0.000 2.901 574 T HA 0.165 4.567 4.350 0.088 0.000 0.301 574 T C -2.038 172.622 174.700 -0.068 0.000 1.012 574 T CA -0.880 61.181 62.100 -0.066 0.000 1.135 574 T CB 0.151 69.000 68.868 -0.030 0.000 0.936 574 T HN 0.420 nan 8.240 nan 0.000 0.539 575 P HA 0.221 nan 4.420 nan 0.000 0.272 575 P C -2.431 174.878 177.300 0.014 0.000 1.223 575 P CA -1.422 61.662 63.100 -0.028 0.000 0.784 575 P CB -0.389 31.304 31.700 -0.011 0.000 0.923 576 P HA 0.205 nan 4.420 nan 0.000 0.272 576 P C -2.325 175.024 177.300 0.081 0.000 1.240 576 P CA -1.238 61.920 63.100 0.097 0.000 0.791 576 P CB -1.006 30.796 31.700 0.170 0.000 0.978 577 P HA 0.089 nan 4.420 nan 0.000 0.272 577 P C -0.438 176.908 177.300 0.077 0.000 1.240 577 P CA 0.010 63.154 63.100 0.073 0.000 0.791 577 P CB 0.177 31.922 31.700 0.075 0.000 0.978 578 D N -0.650 119.788 120.400 0.064 0.000 2.371 578 D HA 0.147 4.839 4.640 0.088 0.000 0.242 578 D C -0.375 175.969 176.300 0.074 0.000 1.218 578 D CA -0.451 53.583 54.000 0.056 0.000 0.945 578 D CB -0.118 40.709 40.800 0.045 0.000 1.137 578 D HN -0.004 nan 8.370 nan 0.000 0.464 579 V N 1.416 121.363 119.914 0.055 0.000 2.348 579 V HA 0.156 4.329 4.120 0.088 0.000 0.270 579 V C 0.007 176.190 176.094 0.148 0.000 1.037 579 V CA -0.803 61.559 62.300 0.103 0.000 0.872 579 V CB -0.544 31.256 31.823 -0.039 0.000 1.002 579 V HN 0.696 nan 8.190 nan 0.000 0.464 580 N N 4.347 123.155 118.700 0.180 0.000 2.716 580 N HA -0.229 4.563 4.740 0.088 0.000 0.250 580 N C 1.156 176.730 175.510 0.107 0.000 1.033 580 N CA 1.204 54.348 53.050 0.157 0.000 0.727 580 N CB -0.915 37.710 38.487 0.231 0.000 0.950 580 N HN 1.321 nan 8.380 nan 0.000 0.541 581 G N -2.146 106.702 108.800 0.081 0.000 2.199 581 G HA2 -0.323 3.690 3.960 0.088 0.000 0.254 581 G HA3 -0.323 3.690 3.960 0.088 0.000 0.254 581 G C 0.078 175.008 174.900 0.050 0.000 0.982 581 G CA 0.287 45.422 45.100 0.057 0.000 0.632 581 G HN 0.388 nan 8.290 nan 0.000 0.529 582 L N 0.203 121.459 121.223 0.054 0.000 2.305 582 L HA 0.472 4.865 4.340 0.088 0.000 0.281 582 L C 1.283 178.166 176.870 0.021 0.000 1.085 582 L CA -0.261 54.601 54.840 0.037 0.000 0.813 582 L CB 1.354 43.435 42.059 0.037 0.000 1.157 582 L HN 0.079 nan 8.230 nan 0.000 0.436 583 K N 3.040 123.448 120.400 0.013 0.000 2.373 583 K HA 0.167 4.539 4.320 0.088 0.000 0.202 583 K C -0.467 176.127 176.600 -0.011 0.000 1.025 583 K CA -0.047 56.244 56.287 0.007 0.000 1.115 583 K CB 0.514 33.019 32.500 0.008 0.000 0.858 583 K HN 0.496 nan 8.250 nan 0.000 0.525 584 K N 0.106 120.496 120.400 -0.017 0.000 2.774 584 K HA 0.113 4.486 4.320 0.088 0.000 0.283 584 K C -2.454 174.130 176.600 -0.028 0.000 1.050 584 K CA -0.763 55.499 56.287 -0.042 0.000 0.872 584 K CB 1.404 33.864 32.500 -0.066 0.000 1.434 584 K HN -0.165 nan 8.250 nan 0.000 0.372 585 D N 3.115 123.494 120.400 -0.036 0.000 2.479 585 D HA 0.314 5.007 4.640 0.088 0.000 0.246 585 D C -2.141 174.147 176.300 -0.020 0.000 1.336 585 D CA -1.951 52.047 54.000 -0.004 0.000 0.967 585 D CB 2.208 43.027 40.800 0.031 0.000 1.275 585 D HN 0.287 nan 8.370 nan 0.000 0.577 586 P HA -0.108 nan 4.420 nan 0.000 0.223 586 P C 1.314 178.612 177.300 -0.004 0.000 1.144 586 P CA 0.825 63.900 63.100 -0.040 0.000 0.783 586 P CB 0.174 31.858 31.700 -0.028 0.000 0.771 587 S N -1.098 114.631 115.700 0.049 0.000 2.507 587 S HA -0.064 4.459 4.470 0.088 0.000 0.235 587 S C 1.639 176.329 174.600 0.150 0.000 0.988 587 S CA 0.767 59.031 58.200 0.107 0.000 0.944 587 S CB -1.389 61.897 63.200 0.143 0.000 0.762 587 S HN 0.149 nan 8.310 nan 0.000 0.526 588 L N 1.131 122.409 121.223 0.092 0.000 2.509 588 L HA 0.224 4.617 4.340 0.088 0.000 0.222 588 L C 1.424 178.219 176.870 -0.125 0.000 1.123 588 L CA 0.104 54.995 54.840 0.084 0.000 0.856 588 L CB -0.262 41.834 42.059 0.062 0.000 0.985 588 L HN 0.320 nan 8.230 nan 0.000 0.456 589 S N -0.339 115.264 115.700 -0.161 0.000 2.562 589 S HA 0.300 4.822 4.470 0.088 0.000 0.275 589 S C 1.099 175.589 174.600 -0.183 0.000 1.281 589 S CA -0.629 57.419 58.200 -0.252 0.000 1.045 589 S CB 1.359 64.405 63.200 -0.256 0.000 0.962 589 S HN 0.166 nan 8.310 nan 0.000 0.503 590 L N 3.317 124.351 121.223 -0.315 0.000 2.093 590 L HA -0.019 4.373 4.340 0.088 0.000 0.208 590 L C 0.950 177.566 176.870 -0.424 0.000 1.085 590 L CA 1.256 55.813 54.840 -0.473 0.000 0.755 590 L CB -0.289 41.141 42.059 -1.048 0.000 0.904 590 L HN 0.771 nan 8.230 nan 0.000 0.435 591 Y N -2.176 118.124 120.300 -0.000 0.000 2.453 591 Y HA 0.322 4.924 4.550 0.087 0.000 0.247 591 Y C 2.139 178.051 175.900 0.019 0.000 1.124 591 Y CA -0.215 57.925 58.100 0.066 0.000 1.243 591 Y CB -0.537 37.983 38.460 0.100 0.000 1.213 591 Y HN -0.029 nan 8.280 nan 0.000 0.523 592 A N 0.756 123.601 122.820 0.042 0.000 1.940 592 A HA -0.082 4.291 4.320 0.088 0.000 0.219 592 A C 0.948 178.564 177.584 0.054 0.000 1.176 592 A CA 1.184 53.220 52.037 -0.001 0.000 0.631 592 A CB -0.738 18.209 19.000 -0.089 0.000 0.814 592 A HN 0.293 nan 8.150 nan 0.000 0.446 593 I N 0.608 121.220 120.570 0.070 0.000 2.359 593 I HA 0.256 4.479 4.170 0.088 0.000 0.284 593 I C -2.627 173.559 176.117 0.116 0.000 1.018 593 I CA -2.159 59.188 61.300 0.079 0.000 1.173 593 I CB 1.449 39.484 38.000 0.059 0.000 1.326 593 I HN -0.035 nan 8.210 nan 0.000 0.462 594 P HA -0.016 nan 4.420 nan 0.000 0.263 594 P C -0.330 177.041 177.300 0.120 0.000 1.175 594 P CA 0.408 63.599 63.100 0.151 0.000 0.761 594 P CB 0.431 32.208 31.700 0.128 0.000 0.794 595 D N 0.354 120.832 120.400 0.130 0.000 2.640 595 D HA 0.083 4.775 4.640 0.088 0.000 0.282 595 D C 0.479 176.834 176.300 0.092 0.000 1.558 595 D CA -0.356 53.703 54.000 0.098 0.000 0.820 595 D CB -0.649 40.206 40.800 0.090 0.000 1.243 595 D HN 0.331 nan 8.370 nan 0.000 0.456 596 G N 0.630 109.496 108.800 0.110 0.000 2.334 596 G HA2 0.338 4.350 3.960 0.088 0.000 0.261 596 G HA3 0.338 4.350 3.960 0.088 0.000 0.261 596 G C -0.571 174.366 174.900 0.062 0.000 1.257 596 G CA -0.002 45.157 45.100 0.098 0.000 0.935 596 G HN 0.192 nan 8.290 nan 0.000 0.480 597 D N 0.674 121.100 120.400 0.044 0.000 2.252 597 D HA 0.364 5.056 4.640 0.088 0.000 0.245 597 D C 0.964 177.275 176.300 0.018 0.000 1.009 597 D CA -0.564 53.450 54.000 0.023 0.000 0.870 597 D CB 2.108 42.914 40.800 0.009 0.000 1.251 597 D HN 0.325 nan 8.370 nan 0.000 0.460 598 V N 0.169 120.084 119.914 0.002 0.000 3.643 598 V HA 0.313 4.485 4.120 0.088 0.000 0.280 598 V C 0.720 176.791 176.094 -0.037 0.000 1.351 598 V CA -0.192 62.104 62.300 -0.006 0.000 1.073 598 V CB -0.808 31.008 31.823 -0.012 0.000 0.863 598 V HN 0.391 nan 8.190 nan 0.000 0.436 599 K N 2.251 122.623 120.400 -0.046 0.000 2.447 599 K HA 0.445 4.818 4.320 0.088 0.000 0.281 599 K C 1.113 177.670 176.600 -0.071 0.000 1.031 599 K CA 1.498 57.738 56.287 -0.080 0.000 1.019 599 K CB 0.110 32.574 32.500 -0.061 0.000 0.918 599 K HN 0.914 nan 8.250 nan 0.000 0.476 600 G N 3.345 112.065 108.800 -0.133 0.000 2.232 600 G HA2 -0.209 3.803 3.960 0.088 0.000 0.226 600 G HA3 -0.209 3.803 3.960 0.088 0.000 0.226 600 G C -0.061 174.864 174.900 0.042 0.000 0.996 600 G CA -0.109 44.985 45.100 -0.009 0.000 0.626 600 G HN 0.593 nan 8.290 nan 0.000 0.509 601 R N 0.080 120.573 120.500 -0.012 0.000 2.637 601 R HA 0.637 5.030 4.340 0.088 0.000 0.269 601 R C 0.101 176.435 176.300 0.055 0.000 1.089 601 R CA -0.150 55.979 56.100 0.047 0.000 1.177 601 R CB 0.954 31.279 30.300 0.042 0.000 1.091 601 R HN 0.274 nan 8.270 nan 0.000 0.540 602 V N 0.936 120.914 119.914 0.106 0.000 2.680 602 V HA 0.416 4.589 4.120 0.088 0.000 0.309 602 V C -0.243 175.909 176.094 0.097 0.000 1.052 602 V CA -0.885 61.493 62.300 0.130 0.000 0.908 602 V CB 2.329 34.256 31.823 0.173 0.000 1.001 602 V HN 0.381 nan 8.190 nan 0.000 0.431 603 V N 2.621 122.589 119.914 0.090 0.000 2.540 603 V HA 0.751 4.923 4.120 0.088 0.000 0.302 603 V C 0.345 176.496 176.094 0.095 0.000 1.035 603 V CA -0.671 61.675 62.300 0.076 0.000 0.873 603 V CB 1.793 33.646 31.823 0.050 0.000 0.992 603 V HN 1.037 nan 8.190 nan 0.000 0.428 604 A N 6.060 128.948 122.820 0.113 0.000 2.366 604 A HA 0.784 5.157 4.320 0.088 0.000 0.272 604 A C -0.439 177.175 177.584 0.050 0.000 1.135 604 A CA -0.201 51.902 52.037 0.109 0.000 0.804 604 A CB 0.069 19.185 19.000 0.193 0.000 1.064 604 A HN 0.781 nan 8.150 nan 0.000 0.499 605 I N 3.179 123.769 120.570 0.035 0.000 2.382 605 I HA 0.170 4.393 4.170 0.088 0.000 0.286 605 I C -0.968 175.166 176.117 0.028 0.000 1.002 605 I CA -0.710 60.608 61.300 0.030 0.000 1.135 605 I CB 1.586 39.613 38.000 0.046 0.000 1.288 605 I HN 0.350 nan 8.210 nan 0.000 0.448 606 L N 7.691 128.914 121.223 0.001 0.000 2.312 606 L HA 0.383 4.776 4.340 0.088 0.000 0.287 606 L C 0.125 177.098 176.870 0.173 0.000 1.091 606 L CA 0.158 55.047 54.840 0.081 0.000 0.846 606 L CB 0.102 42.043 42.059 -0.196 0.000 1.219 606 L HN 0.441 nan 8.230 nan 0.000 0.439 607 L N 3.286 124.664 121.223 0.259 0.000 2.479 607 L HA 0.419 4.811 4.340 0.088 0.000 0.249 607 L C 0.348 177.446 176.870 0.380 0.000 1.178 607 L CA -0.596 54.371 54.840 0.211 0.000 0.811 607 L CB 0.821 42.924 42.059 0.073 0.000 1.187 607 L HN 0.726 nan 8.230 nan 0.000 0.480 608 N N -2.435 116.396 118.700 0.218 0.000 2.629 608 N HA 0.202 4.994 4.740 0.088 0.000 0.279 608 N C -0.198 175.320 175.510 0.014 0.000 1.344 608 N CA -0.676 52.545 53.050 0.286 0.000 0.789 608 N CB 0.738 39.366 38.487 0.235 0.000 1.508 608 N HN 0.545 nan 8.380 nan 0.000 0.516 609 D N -1.665 118.766 120.400 0.052 0.000 2.350 609 D HA -0.117 4.575 4.640 0.088 0.000 0.216 609 D C -0.080 176.183 176.300 -0.062 0.000 0.968 609 D CA 1.097 55.047 54.000 -0.083 0.000 0.894 609 D CB -0.011 40.816 40.800 0.046 0.000 0.909 609 D HN 0.730 nan 8.370 nan 0.000 0.520 610 E N 0.265 120.453 120.200 -0.019 0.000 3.909 610 E HA 0.245 4.648 4.350 0.088 0.000 0.236 610 E C -1.285 175.309 176.600 -0.010 0.000 1.222 610 E CA -0.465 55.924 56.400 -0.018 0.000 1.205 610 E CB 0.545 30.243 29.700 -0.002 0.000 1.249 610 E HN -0.090 nan 8.360 nan 0.000 0.411 611 V N 1.898 121.799 119.914 -0.022 0.000 2.673 611 V HA 0.101 4.274 4.120 0.088 0.000 0.303 611 V C 0.757 176.842 176.094 -0.016 0.000 1.046 611 V CA 0.064 62.358 62.300 -0.010 0.000 1.126 611 V CB 0.755 32.568 31.823 -0.016 0.000 0.934 611 V HN 0.437 nan 8.190 nan 0.000 0.487 612 R N 3.606 124.098 120.500 -0.014 0.000 2.309 612 R HA 0.110 4.503 4.340 0.088 0.000 0.331 612 R C 1.685 177.969 176.300 -0.025 0.000 1.116 612 R CA 0.769 56.856 56.100 -0.022 0.000 0.970 612 R CB 0.153 30.437 30.300 -0.028 0.000 1.024 612 R HN 0.975 nan 8.270 nan 0.000 0.472 613 S N 3.192 118.878 115.700 -0.023 0.000 2.407 613 S HA -0.312 4.211 4.470 0.088 0.000 0.235 613 S C 1.946 176.531 174.600 -0.024 0.000 1.036 613 S CA 1.397 59.584 58.200 -0.022 0.000 1.013 613 S CB -0.300 62.888 63.200 -0.020 0.000 0.820 613 S HN 0.666 nan 8.310 nan 0.000 0.476 614 A N 1.920 124.723 122.820 -0.029 0.000 1.908 614 A HA -0.111 4.262 4.320 0.088 0.000 0.218 614 A C 1.917 179.476 177.584 -0.042 0.000 1.181 614 A CA 1.891 53.908 52.037 -0.033 0.000 0.627 614 A CB -1.130 17.848 19.000 -0.037 0.000 0.818 614 A HN 0.602 nan 8.150 nan 0.000 0.445 615 D N -0.279 120.088 120.400 -0.056 0.000 2.097 615 D HA -0.092 4.601 4.640 0.088 0.000 0.197 615 D C 1.878 178.155 176.300 -0.039 0.000 0.984 615 D CA 0.708 54.662 54.000 -0.076 0.000 0.826 615 D CB -0.256 40.483 40.800 -0.101 0.000 0.973 615 D HN 0.327 nan 8.370 nan 0.000 0.460 616 L N 0.097 121.307 121.223 -0.021 0.000 2.046 616 L HA -0.148 4.244 4.340 0.088 0.000 0.208 616 L C 2.158 179.028 176.870 0.001 0.000 1.077 616 L CA 0.694 55.532 54.840 -0.004 0.000 0.747 616 L CB -0.200 41.857 42.059 -0.004 0.000 0.896 616 L HN 0.137 nan 8.230 nan 0.000 0.432 617 L N 0.051 121.271 121.223 -0.005 0.000 1.989 617 L HA -0.205 4.187 4.340 0.088 0.000 0.211 617 L C 2.700 179.573 176.870 0.005 0.000 1.071 617 L CA 2.212 57.051 54.840 -0.001 0.000 0.749 617 L CB -0.784 41.271 42.059 -0.007 0.000 0.890 617 L HN 0.210 nan 8.230 nan 0.000 0.431 618 A N -0.844 121.976 122.820 -0.000 0.000 1.933 618 A HA -0.184 4.189 4.320 0.088 0.000 0.218 618 A C 2.263 179.865 177.584 0.031 0.000 1.175 618 A CA 2.015 54.058 52.037 0.010 0.000 0.628 618 A CB -0.796 18.201 19.000 -0.005 0.000 0.814 618 A HN 0.491 nan 8.150 nan 0.000 0.444 619 I N -0.446 120.145 120.570 0.035 0.000 2.133 619 I HA -0.233 3.989 4.170 0.088 0.000 0.238 619 I C 2.354 178.500 176.117 0.048 0.000 1.074 619 I CA 1.156 62.495 61.300 0.064 0.000 1.342 619 I CB -0.387 37.657 38.000 0.073 0.000 1.053 619 I HN 0.269 nan 8.210 nan 0.000 0.404 620 L N 0.710 121.954 121.223 0.035 0.000 2.079 620 L HA -0.244 4.149 4.340 0.088 0.000 0.210 620 L C 2.636 179.520 176.870 0.024 0.000 1.081 620 L CA 1.448 56.306 54.840 0.030 0.000 0.752 620 L CB -0.708 41.367 42.059 0.026 0.000 0.896 620 L HN 0.277 nan 8.230 nan 0.000 0.433 621 K N 0.764 121.176 120.400 0.021 0.000 2.026 621 K HA -0.180 4.193 4.320 0.088 0.000 0.208 621 K C 2.170 178.780 176.600 0.016 0.000 1.048 621 K CA 1.405 57.701 56.287 0.016 0.000 0.929 621 K CB -0.098 32.410 32.500 0.014 0.000 0.713 621 K HN 0.243 nan 8.250 nan 0.000 0.439 622 A N 1.520 124.354 122.820 0.023 0.000 1.933 622 A HA -0.083 4.290 4.320 0.088 0.000 0.218 622 A C 2.157 179.747 177.584 0.011 0.000 1.175 622 A CA 1.150 53.200 52.037 0.023 0.000 0.628 622 A CB -0.505 18.519 19.000 0.041 0.000 0.814 622 A HN 0.328 nan 8.150 nan 0.000 0.444 623 L N -0.642 120.589 121.223 0.013 0.000 2.056 623 L HA -0.174 4.219 4.340 0.088 0.000 0.207 623 L C 2.635 179.491 176.870 -0.024 0.000 1.078 623 L CA 1.862 56.698 54.840 -0.006 0.000 0.749 623 L CB -0.473 41.591 42.059 0.009 0.000 0.901 623 L HN 0.500 nan 8.230 nan 0.000 0.433 624 K N 0.785 121.181 120.400 -0.007 0.000 2.103 624 K HA -0.207 4.166 4.320 0.088 0.000 0.207 624 K C 2.040 178.630 176.600 -0.017 0.000 1.048 624 K CA 1.498 57.780 56.287 -0.007 0.000 0.930 624 K CB -0.085 32.420 32.500 0.009 0.000 0.716 624 K HN 0.263 nan 8.250 nan 0.000 0.444 625 A N 0.877 123.691 122.820 -0.011 0.000 2.015 625 A HA -0.070 4.302 4.320 0.088 0.000 0.219 625 A C 1.560 179.132 177.584 -0.020 0.000 1.163 625 A CA 1.174 53.205 52.037 -0.011 0.000 0.646 625 A CB -0.058 18.941 19.000 -0.002 0.000 0.806 625 A HN 0.170 nan 8.150 nan 0.000 0.448 626 K N -1.460 118.921 120.400 -0.032 0.000 2.358 626 K HA 0.215 4.587 4.320 0.088 0.000 0.197 626 K C 0.905 177.462 176.600 -0.072 0.000 1.025 626 K CA 0.633 56.895 56.287 -0.041 0.000 1.104 626 K CB 0.253 32.732 32.500 -0.035 0.000 0.855 626 K HN 0.699 nan 8.250 nan 0.000 0.531 627 G N 1.524 110.267 108.800 -0.094 0.000 2.147 627 G HA2 -0.223 3.789 3.960 0.088 0.000 0.244 627 G HA3 -0.223 3.789 3.960 0.088 0.000 0.244 627 G C 0.026 174.736 174.900 -0.317 0.000 1.005 627 G CA 0.164 45.170 45.100 -0.157 0.000 0.713 627 G HN 0.100 nan 8.290 nan 0.000 0.515 628 V N 0.848 120.605 119.914 -0.261 0.000 2.465 628 V HA 0.514 4.687 4.120 0.088 0.000 0.279 628 V C 0.769 176.667 176.094 -0.327 0.000 1.045 628 V CA -0.724 61.405 62.300 -0.285 0.000 0.938 628 V CB 1.131 32.887 31.823 -0.112 0.000 0.986 628 V HN 0.451 nan 8.190 nan 0.000 0.467 629 H N 1.803 120.887 119.070 0.022 0.000 2.495 629 H HA 0.773 5.382 4.556 0.088 0.000 0.350 629 H C 0.176 175.526 175.328 0.036 0.000 1.202 629 H CA 0.035 56.099 56.048 0.027 0.000 1.322 629 H CB 1.239 31.019 29.762 0.030 0.000 1.544 629 H HN 0.845 nan 8.280 nan 0.000 0.565 630 A N 1.190 124.117 122.820 0.178 0.000 2.435 630 A HA 0.538 4.911 4.320 0.088 0.000 0.304 630 A C -1.122 176.523 177.584 0.102 0.000 1.064 630 A CA -1.024 51.081 52.037 0.114 0.000 0.727 630 A CB 1.148 20.196 19.000 0.081 0.000 1.284 630 A HN 0.797 nan 8.150 nan 0.000 0.415 631 K N 2.645 123.099 120.400 0.090 0.000 2.545 631 K HA 0.640 5.013 4.320 0.088 0.000 0.252 631 K C -1.640 174.996 176.600 0.059 0.000 0.948 631 K CA -0.479 55.853 56.287 0.076 0.000 0.827 631 K CB 1.214 33.768 32.500 0.089 0.000 1.128 631 K HN 0.532 nan 8.250 nan 0.000 0.429 632 L N 4.143 125.391 121.223 0.041 0.000 2.281 632 L HA 0.335 4.727 4.340 0.088 0.000 0.285 632 L C -0.594 176.287 176.870 0.019 0.000 1.074 632 L CA -1.059 53.799 54.840 0.030 0.000 0.817 632 L CB 0.414 42.482 42.059 0.016 0.000 1.168 632 L HN 0.486 nan 8.230 nan 0.000 0.434 633 L N 4.163 125.400 121.223 0.024 0.000 2.333 633 L HA 0.621 5.013 4.340 0.088 0.000 0.269 633 L C -0.563 176.233 176.870 -0.123 0.000 1.010 633 L CA -0.436 54.379 54.840 -0.042 0.000 0.818 633 L CB 1.696 43.765 42.059 0.017 0.000 1.306 633 L HN 0.393 nan 8.230 nan 0.000 0.430 634 Y N -0.905 119.001 120.300 -0.657 0.000 2.840 634 Y HA 0.266 4.868 4.550 0.087 0.000 0.324 634 Y C 0.876 176.094 175.900 -1.137 0.000 1.378 634 Y CA -0.400 57.182 58.100 -0.863 0.000 1.077 634 Y CB 1.345 39.613 38.460 -0.321 0.000 1.361 634 Y HN 0.541 nan 8.280 nan 0.000 0.459 635 S N 0.855 115.719 115.700 -1.392 0.000 2.561 635 S HA 0.190 4.713 4.470 0.088 0.000 0.225 635 S C -0.111 174.254 174.600 -0.392 0.000 0.977 635 S CA 0.487 58.201 58.200 -0.810 0.000 0.926 635 S CB -0.423 62.347 63.200 -0.716 0.000 0.769 635 S HN 0.542 nan 8.310 nan 0.000 0.533 636 R N -1.258 119.106 120.500 -0.228 0.000 2.733 636 R HA 0.577 4.969 4.340 0.088 0.000 0.272 636 R C -1.055 175.251 176.300 0.009 0.000 1.029 636 R CA -1.107 54.961 56.100 -0.052 0.000 0.888 636 R CB 0.430 30.745 30.300 0.025 0.000 1.251 636 R HN -0.108 nan 8.270 nan 0.000 0.464 637 M N 0.349 119.949 119.600 0.001 0.000 2.114 637 M HA 0.490 5.023 4.480 0.088 0.000 0.280 637 M C 1.096 177.404 176.300 0.013 0.000 1.209 637 M CA 1.115 56.416 55.300 0.002 0.000 1.044 637 M CB 0.566 33.163 32.600 -0.005 0.000 1.404 637 M HN 1.015 nan 8.290 nan 0.000 0.499 638 G N 1.059 109.859 108.800 -0.000 0.000 2.715 638 G HA2 -0.111 3.901 3.960 0.088 0.000 0.221 638 G HA3 -0.111 3.901 3.960 0.088 0.000 0.221 638 G C -0.906 173.980 174.900 -0.024 0.000 1.204 638 G CA -0.411 44.684 45.100 -0.008 0.000 1.063 638 G HN 0.612 nan 8.290 nan 0.000 0.586 639 E N -1.238 118.937 120.200 -0.043 0.000 2.413 639 E HA 0.593 4.995 4.350 0.088 0.000 0.277 639 E C -0.575 175.948 176.600 -0.129 0.000 0.958 639 E CA -0.503 55.853 56.400 -0.074 0.000 0.779 639 E CB 2.974 32.640 29.700 -0.057 0.000 1.278 639 E HN 1.235 nan 8.360 nan 0.000 0.456 640 V N -1.916 117.891 119.914 -0.179 0.000 2.960 640 V HA 0.745 4.917 4.120 0.088 0.000 0.315 640 V C -0.461 175.545 176.094 -0.147 0.000 1.087 640 V CA -0.706 61.450 62.300 -0.241 0.000 0.982 640 V CB 1.913 33.477 31.823 -0.433 0.000 1.039 640 V HN 0.644 nan 8.190 nan 0.000 0.437 641 T N 2.409 116.888 114.554 -0.125 0.000 2.779 641 T HA 0.770 5.172 4.350 0.088 0.000 0.280 641 T C 0.278 174.935 174.700 -0.073 0.000 0.987 641 T CA 0.202 62.254 62.100 -0.080 0.000 0.966 641 T CB 1.348 70.181 68.868 -0.058 0.000 0.933 641 T HN 1.321 nan 8.240 nan 0.000 0.442 642 A N 2.456 125.241 122.820 -0.057 0.000 2.296 642 A HA 0.388 4.761 4.320 0.088 0.000 0.264 642 A C 1.612 179.176 177.584 -0.034 0.000 1.097 642 A CA -0.414 51.596 52.037 -0.045 0.000 0.811 642 A CB 0.082 19.060 19.000 -0.036 0.000 1.072 642 A HN 0.924 nan 8.150 nan 0.000 0.495 643 D N 0.462 120.846 120.400 -0.027 0.000 2.170 643 D HA -0.248 4.445 4.640 0.088 0.000 0.193 643 D C 0.613 176.901 176.300 -0.020 0.000 1.004 643 D CA 1.935 55.922 54.000 -0.021 0.000 0.860 643 D CB -0.454 40.335 40.800 -0.018 0.000 0.931 643 D HN 0.620 nan 8.370 nan 0.000 0.448 644 D N -1.599 118.789 120.400 -0.020 0.000 2.395 644 D HA 0.249 4.941 4.640 0.088 0.000 0.226 644 D C 1.550 177.839 176.300 -0.018 0.000 1.146 644 D CA 0.277 54.266 54.000 -0.017 0.000 0.830 644 D CB -0.125 40.666 40.800 -0.016 0.000 0.958 644 D HN 0.457 nan 8.370 nan 0.000 0.501 645 G N -0.163 108.624 108.800 -0.021 0.000 2.176 645 G HA2 -0.272 3.740 3.960 0.088 0.000 0.253 645 G HA3 -0.272 3.740 3.960 0.088 0.000 0.253 645 G C 0.398 175.283 174.900 -0.024 0.000 0.979 645 G CA 0.231 45.318 45.100 -0.022 0.000 0.641 645 G HN 0.439 nan 8.290 nan 0.000 0.530 646 T N 1.562 116.101 114.554 -0.025 0.000 2.867 646 T HA 0.415 4.818 4.350 0.088 0.000 0.297 646 T C 0.764 175.445 174.700 -0.032 0.000 0.989 646 T CA 0.255 62.340 62.100 -0.025 0.000 1.159 646 T CB 1.868 70.723 68.868 -0.023 0.000 0.928 646 T HN 0.637 nan 8.240 nan 0.000 0.538 647 V N 5.044 124.940 119.914 -0.030 0.000 2.461 647 V HA 0.280 4.452 4.120 0.088 0.000 0.275 647 V C -0.077 175.994 176.094 -0.038 0.000 1.047 647 V CA -0.874 61.404 62.300 -0.037 0.000 0.955 647 V CB 0.759 32.563 31.823 -0.032 0.000 0.988 647 V HN 0.544 nan 8.190 nan 0.000 0.471 648 L N 8.048 129.239 121.223 -0.053 0.000 2.294 648 L HA 0.537 4.930 4.340 0.088 0.000 0.283 648 L C -2.415 174.422 176.870 -0.055 0.000 1.015 648 L CA -2.217 52.592 54.840 -0.052 0.000 0.831 648 L CB 1.403 43.422 42.059 -0.068 0.000 1.217 648 L HN 0.443 nan 8.230 nan 0.000 0.420 649 P HA 0.256 nan 4.420 nan 0.000 0.276 649 P C -0.322 176.962 177.300 -0.026 0.000 1.243 649 P CA -0.103 62.980 63.100 -0.028 0.000 0.768 649 P CB 0.535 32.226 31.700 -0.015 0.000 0.856 650 I N 2.458 123.012 120.570 -0.028 0.000 2.352 650 I HA 0.176 4.398 4.170 0.088 0.000 0.290 650 I C 1.489 177.601 176.117 -0.009 0.000 1.036 650 I CA -0.227 61.061 61.300 -0.020 0.000 1.336 650 I CB 1.253 39.243 38.000 -0.016 0.000 1.407 650 I HN 0.393 nan 8.210 nan 0.000 0.497 651 A N 5.491 128.310 122.820 -0.001 0.000 1.897 651 A HA 0.451 4.824 4.320 0.088 0.000 0.215 651 A C 1.058 178.646 177.584 0.008 0.000 1.181 651 A CA 1.439 53.481 52.037 0.010 0.000 0.620 651 A CB -0.000 19.015 19.000 0.025 0.000 0.821 651 A HN 0.832 nan 8.150 nan 0.000 0.443 652 A N -2.477 120.341 122.820 -0.004 0.000 2.511 652 A HA 0.583 4.956 4.320 0.088 0.000 0.293 652 A C -0.073 177.475 177.584 -0.061 0.000 1.098 652 A CA 0.126 52.157 52.037 -0.008 0.000 0.643 652 A CB -0.278 18.739 19.000 0.028 0.000 1.302 652 A HN 0.780 nan 8.150 nan 0.000 0.446 653 T N -2.047 112.468 114.554 -0.065 0.000 2.912 653 T HA 0.583 4.986 4.350 0.088 0.000 0.280 653 T C 0.682 175.353 174.700 -0.049 0.000 0.989 653 T CA -0.182 61.812 62.100 -0.176 0.000 0.995 653 T CB 0.133 68.903 68.868 -0.164 0.000 1.077 653 T HN 0.483 nan 8.240 nan 0.000 0.531 654 F N 0.558 120.509 119.950 0.003 0.000 2.161 654 F HA 0.056 4.635 4.527 0.088 0.000 0.300 654 F C 2.812 178.739 175.800 0.211 0.000 1.089 654 F CA 1.192 59.235 58.000 0.071 0.000 1.282 654 F CB -1.432 37.572 39.000 0.006 0.000 1.010 654 F HN 0.751 nan 8.300 nan 0.000 0.485 655 A N -0.229 122.753 122.820 0.271 0.000 2.021 655 A HA 0.221 4.593 4.320 0.088 0.000 0.216 655 A C 2.506 180.161 177.584 0.119 0.000 1.163 655 A CA 1.105 53.248 52.037 0.176 0.000 0.676 655 A CB -1.318 17.745 19.000 0.106 0.000 0.818 655 A HN 0.365 nan 8.150 nan 0.000 0.453 656 G N -0.926 107.929 108.800 0.093 0.000 2.511 656 G HA2 0.310 4.322 3.960 0.088 0.000 0.217 656 G HA3 0.310 4.322 3.960 0.088 0.000 0.217 656 G C 0.628 175.580 174.900 0.086 0.000 1.133 656 G CA 0.936 46.074 45.100 0.064 0.000 0.792 656 G HN 1.017 nan 8.290 nan 0.000 0.539 657 A N 0.690 123.596 122.820 0.143 0.000 3.216 657 A HA 0.692 5.065 4.320 0.088 0.000 0.321 657 A C -2.689 175.056 177.584 0.268 0.000 1.042 657 A CA -1.087 51.051 52.037 0.169 0.000 0.838 657 A CB 1.124 20.221 19.000 0.161 0.000 1.136 657 A HN 0.086 nan 8.150 nan 0.000 0.483 658 P HA 0.025 nan 4.420 nan 0.000 0.270 658 P C 1.389 178.584 177.300 -0.175 0.000 1.227 658 P CA 0.464 63.574 63.100 0.017 0.000 0.788 658 P CB 0.733 32.415 31.700 -0.029 0.000 0.926 659 S N 0.686 115.933 115.700 -0.756 0.000 2.440 659 S HA -0.167 4.355 4.470 0.088 0.000 0.238 659 S C 1.789 176.243 174.600 -0.244 0.000 1.010 659 S CA 1.100 58.928 58.200 -0.619 0.000 0.972 659 S CB -1.102 61.620 63.200 -0.796 0.000 0.774 659 S HN 0.173 nan 8.310 nan 0.000 0.501 660 L N 2.732 123.829 121.223 -0.209 0.000 2.103 660 L HA -0.115 4.277 4.340 0.088 0.000 0.215 660 L C 2.950 179.662 176.870 -0.262 0.000 1.080 660 L CA 2.320 57.028 54.840 -0.220 0.000 0.764 660 L CB -1.972 39.938 42.059 -0.248 0.000 0.890 660 L HN 0.788 nan 8.230 nan 0.000 0.435 661 T N -3.998 110.470 114.554 -0.144 0.000 3.113 661 T HA 0.164 4.566 4.350 0.088 0.000 0.256 661 T C 0.535 175.323 174.700 0.147 0.000 1.131 661 T CA 0.446 62.549 62.100 0.006 0.000 1.074 661 T CB -0.507 68.442 68.868 0.135 0.000 0.944 661 T HN 0.097 nan 8.240 nan 0.000 0.516 662 V N -2.291 117.671 119.914 0.081 0.000 3.103 662 V HA 0.575 4.747 4.120 0.088 0.000 0.318 662 V C 0.029 176.164 176.094 0.067 0.000 1.114 662 V CA -0.911 61.458 62.300 0.116 0.000 1.020 662 V CB 2.062 33.971 31.823 0.142 0.000 1.085 662 V HN -0.014 nan 8.190 nan 0.000 0.446 663 D N 0.868 121.309 120.400 0.069 0.000 2.355 663 D HA 0.480 5.172 4.640 0.088 0.000 0.206 663 D C 0.566 176.849 176.300 -0.028 0.000 1.010 663 D CA 1.484 55.499 54.000 0.025 0.000 0.875 663 D CB 1.454 42.289 40.800 0.058 0.000 0.966 663 D HN 0.966 nan 8.370 nan 0.000 0.512 664 A N -0.012 122.809 122.820 0.002 0.000 2.599 664 A HA 0.574 4.947 4.320 0.088 0.000 0.290 664 A C -1.623 175.980 177.584 0.031 0.000 1.101 664 A CA -0.516 51.510 52.037 -0.018 0.000 0.674 664 A CB 1.658 20.637 19.000 -0.034 0.000 1.277 664 A HN -0.114 nan 8.150 nan 0.000 0.419 665 V N 1.096 121.022 119.914 0.020 0.000 2.623 665 V HA 0.504 4.677 4.120 0.088 0.000 0.304 665 V C -0.841 175.265 176.094 0.021 0.000 1.054 665 V CA -0.141 62.192 62.300 0.055 0.000 0.882 665 V CB 1.557 33.438 31.823 0.097 0.000 1.002 665 V HN 0.703 nan 8.190 nan 0.000 0.424 666 I N 4.501 125.090 120.570 0.033 0.000 2.433 666 I HA 0.521 4.744 4.170 0.088 0.000 0.292 666 I C -0.783 175.362 176.117 0.045 0.000 1.001 666 I CA -0.908 60.433 61.300 0.068 0.000 1.119 666 I CB 2.286 40.353 38.000 0.112 0.000 1.289 666 I HN 0.280 nan 8.210 nan 0.000 0.438 667 V N 8.228 128.182 119.914 0.066 0.000 2.304 667 V HA 0.319 4.492 4.120 0.088 0.000 0.278 667 V C -2.018 174.128 176.094 0.087 0.000 1.018 667 V CA -1.485 60.836 62.300 0.035 0.000 0.814 667 V CB 1.183 32.996 31.823 -0.018 0.000 1.021 667 V HN 0.572 nan 8.190 nan 0.000 0.440 668 P HA 0.214 nan 4.420 nan 0.000 0.276 668 P C 0.182 177.503 177.300 0.035 0.000 1.261 668 P CA -0.310 62.807 63.100 0.028 0.000 0.800 668 P CB 1.361 33.072 31.700 0.018 0.000 1.066 669 C N -0.152 119.146 119.300 -0.002 0.000 2.560 669 C HA 0.710 5.223 4.460 0.088 0.000 0.334 669 C C 1.253 176.255 174.990 0.021 0.000 1.404 669 C CA 1.629 60.653 59.018 0.009 0.000 2.410 669 C CB -0.616 27.109 27.740 -0.025 0.000 2.268 669 C HN 0.946 nan 8.230 nan 0.000 0.673 670 G N 0.943 109.755 108.800 0.021 0.000 2.247 670 G HA2 -0.044 3.968 3.960 0.088 0.000 0.229 670 G HA3 -0.044 3.968 3.960 0.088 0.000 0.229 670 G C -0.682 174.238 174.900 0.032 0.000 1.345 670 G CA -0.091 45.022 45.100 0.022 0.000 1.100 670 G HN 0.944 nan 8.290 nan 0.000 0.473 671 N N 1.565 120.291 118.700 0.043 0.000 2.739 671 N HA 0.146 4.938 4.740 0.088 0.000 0.266 671 N C 1.454 177.009 175.510 0.076 0.000 1.168 671 N CA -0.572 52.507 53.050 0.048 0.000 1.055 671 N CB -0.122 38.393 38.487 0.046 0.000 1.393 671 N HN 0.378 nan 8.380 nan 0.000 0.514 672 I N 1.906 122.512 120.570 0.060 0.000 2.454 672 I HA -0.213 4.010 4.170 0.088 0.000 0.254 672 I C 2.372 178.511 176.117 0.038 0.000 1.156 672 I CA 0.672 62.015 61.300 0.072 0.000 1.433 672 I CB -1.390 36.617 38.000 0.012 0.000 1.082 672 I HN 0.451 nan 8.210 nan 0.000 0.432 673 A N 0.807 123.635 122.820 0.014 0.000 1.978 673 A HA -0.275 4.097 4.320 0.088 0.000 0.220 673 A C 2.091 179.702 177.584 0.046 0.000 1.170 673 A CA 2.059 54.098 52.037 0.004 0.000 0.636 673 A CB -0.701 18.299 19.000 0.000 0.000 0.810 673 A HN 0.432 nan 8.150 nan 0.000 0.448 674 D N 0.258 120.710 120.400 0.087 0.000 2.178 674 D HA -0.144 4.548 4.640 0.088 0.000 0.201 674 D C 1.563 177.949 176.300 0.143 0.000 0.980 674 D CA 1.673 55.748 54.000 0.125 0.000 0.842 674 D CB -0.215 40.691 40.800 0.177 0.000 0.948 674 D HN 0.652 nan 8.370 nan 0.000 0.472 675 I N -4.122 116.556 120.570 0.181 0.000 4.181 675 I HA 0.462 4.685 4.170 0.088 0.000 0.331 675 I C 1.863 178.126 176.117 0.243 0.000 1.312 675 I CA 0.002 61.434 61.300 0.221 0.000 1.146 675 I CB 0.112 38.288 38.000 0.294 0.000 1.074 675 I HN -0.071 nan 8.210 nan 0.000 0.402 676 A N 1.344 124.245 122.820 0.136 0.000 2.015 676 A HA -0.108 4.264 4.320 0.088 0.000 0.219 676 A C 1.718 179.314 177.584 0.020 0.000 1.163 676 A CA 1.695 53.716 52.037 -0.026 0.000 0.646 676 A CB -0.465 18.388 19.000 -0.245 0.000 0.806 676 A HN 0.499 nan 8.150 nan 0.000 0.448 677 D N -0.427 119.996 120.400 0.038 0.000 2.349 677 D HA -0.013 4.679 4.640 0.088 0.000 0.214 677 D C 0.104 176.436 176.300 0.053 0.000 1.063 677 D CA -0.058 53.961 54.000 0.031 0.000 0.847 677 D CB -0.105 40.704 40.800 0.016 0.000 0.933 677 D HN 0.326 nan 8.370 nan 0.000 0.513 678 N N 1.166 119.915 118.700 0.081 0.000 2.420 678 N HA 0.022 4.815 4.740 0.088 0.000 0.262 678 N C 1.284 176.841 175.510 0.078 0.000 1.144 678 N CA 0.011 53.109 53.050 0.081 0.000 0.952 678 N CB 1.503 40.056 38.487 0.110 0.000 1.081 678 N HN -0.040 nan 8.380 nan 0.000 0.480 679 G N 3.471 112.311 108.800 0.067 0.000 2.422 679 G HA2 -0.261 3.752 3.960 0.088 0.000 0.218 679 G HA3 -0.261 3.752 3.960 0.088 0.000 0.218 679 G C 0.934 175.891 174.900 0.095 0.000 1.146 679 G CA 0.746 45.888 45.100 0.069 0.000 0.769 679 G HN 0.644 nan 8.290 nan 0.000 0.547 680 D N 0.771 121.233 120.400 0.104 0.000 2.144 680 D HA 0.073 4.765 4.640 0.088 0.000 0.199 680 D C 2.759 179.096 176.300 0.062 0.000 0.984 680 D CA 1.168 55.262 54.000 0.157 0.000 0.834 680 D CB -0.123 40.807 40.800 0.217 0.000 0.955 680 D HN 0.340 nan 8.370 nan 0.000 0.465 681 A N 0.922 123.645 122.820 -0.162 0.000 1.877 681 A HA -0.205 4.167 4.320 0.088 0.000 0.216 681 A C 1.977 179.367 177.584 -0.324 0.000 1.186 681 A CA 1.298 52.976 52.037 -0.599 0.000 0.620 681 A CB -0.472 18.204 19.000 -0.540 0.000 0.822 681 A HN 0.145 nan 8.150 nan 0.000 0.443 682 N N -1.564 117.093 118.700 -0.070 0.000 2.142 682 N HA -0.172 4.621 4.740 0.088 0.000 0.186 682 N C 1.684 177.191 175.510 -0.006 0.000 1.023 682 N CA 1.729 54.786 53.050 0.012 0.000 0.852 682 N CB -0.449 38.107 38.487 0.116 0.000 0.998 682 N HN 0.647 nan 8.380 nan 0.000 0.424 683 Y N 0.750 121.023 120.300 -0.045 0.000 2.274 683 Y HA -0.217 4.386 4.550 0.087 0.000 0.290 683 Y C 2.284 178.142 175.900 -0.070 0.000 1.145 683 Y CA 1.107 59.178 58.100 -0.048 0.000 1.203 683 Y CB -0.505 37.938 38.460 -0.029 0.000 0.984 683 Y HN 0.041 nan 8.280 nan 0.000 0.533 684 Y N -0.388 119.795 120.300 -0.195 0.000 2.128 684 Y HA -0.289 4.314 4.550 0.087 0.000 0.284 684 Y C 2.127 177.840 175.900 -0.312 0.000 1.154 684 Y CA 1.799 59.754 58.100 -0.242 0.000 1.149 684 Y CB -0.279 38.013 38.460 -0.280 0.000 0.976 684 Y HN 0.082 nan 8.280 nan 0.000 0.505 685 L N -0.643 120.502 121.223 -0.130 0.000 2.109 685 L HA -0.197 4.195 4.340 0.088 0.000 0.207 685 L C 2.243 178.994 176.870 -0.198 0.000 1.086 685 L CA 1.597 56.346 54.840 -0.152 0.000 0.760 685 L CB -1.326 40.624 42.059 -0.181 0.000 0.910 685 L HN 0.418 nan 8.230 nan 0.000 0.437 686 M N -0.572 118.866 119.600 -0.271 0.000 2.117 686 M HA -0.226 4.306 4.480 0.088 0.000 0.262 686 M C 2.135 178.201 176.300 -0.390 0.000 1.065 686 M CA 1.561 56.697 55.300 -0.275 0.000 1.114 686 M CB -0.367 32.076 32.600 -0.263 0.000 1.361 686 M HN 0.232 nan 8.290 nan 0.000 0.408 687 E N 0.731 120.522 120.200 -0.681 0.000 2.031 687 E HA -0.195 4.208 4.350 0.088 0.000 0.193 687 E C 2.051 178.308 176.600 -0.573 0.000 0.994 687 E CA 1.397 57.358 56.400 -0.733 0.000 0.800 687 E CB -0.033 29.191 29.700 -0.794 0.000 0.752 687 E HN 0.451 nan 8.360 nan 0.000 0.447 688 A N 0.364 122.946 122.820 -0.396 0.000 1.917 688 A HA -0.246 4.127 4.320 0.088 0.000 0.219 688 A C 2.096 179.570 177.584 -0.184 0.000 1.182 688 A CA 1.782 53.673 52.037 -0.244 0.000 0.633 688 A CB -1.094 17.808 19.000 -0.164 0.000 0.819 688 A HN 0.608 nan 8.150 nan 0.000 0.448 689 Y N 0.549 120.688 120.300 -0.268 0.000 2.114 689 Y HA -0.246 4.357 4.550 0.087 0.000 0.284 689 Y C 2.433 178.202 175.900 -0.218 0.000 1.143 689 Y CA 2.487 60.459 58.100 -0.213 0.000 1.135 689 Y CB -0.274 38.079 38.460 -0.179 0.000 0.980 689 Y HN 0.336 nan 8.280 nan 0.000 0.499 690 K N -0.557 119.708 120.400 -0.224 0.000 2.113 690 K HA -0.246 4.126 4.320 0.088 0.000 0.208 690 K C 1.036 177.494 176.600 -0.237 0.000 1.047 690 K CA 2.158 58.281 56.287 -0.275 0.000 0.928 690 K CB -0.489 31.796 32.500 -0.358 0.000 0.716 690 K HN 0.603 nan 8.250 nan 0.000 0.446 691 H N 0.389 119.339 119.070 -0.201 0.000 2.555 691 H HA 0.190 4.798 4.556 0.088 0.000 0.283 691 H C -0.052 175.114 175.328 -0.269 0.000 1.037 691 H CA 0.138 56.065 56.048 -0.202 0.000 1.169 691 H CB 0.051 29.693 29.762 -0.200 0.000 1.375 691 H HN 0.135 nan 8.280 nan 0.000 0.582 692 L N -0.118 120.952 121.223 -0.254 0.000 4.089 692 L HA -0.287 4.106 4.340 0.088 0.000 0.408 692 L C -0.352 176.263 176.870 -0.426 0.000 1.184 692 L CA 0.644 55.247 54.840 -0.395 0.000 0.947 692 L CB -1.717 40.071 42.059 -0.452 0.000 2.066 692 L HN 0.326 nan 8.230 nan 0.000 0.851 693 K N 0.851 121.066 120.400 -0.307 0.000 2.143 693 K HA 0.490 4.863 4.320 0.088 0.000 0.272 693 K C -2.136 174.331 176.600 -0.222 0.000 1.001 693 K CA -1.820 54.304 56.287 -0.271 0.000 0.915 693 K CB 0.745 33.135 32.500 -0.183 0.000 1.047 693 K HN -0.197 nan 8.250 nan 0.000 0.458 694 P HA 0.072 nan 4.420 nan 0.000 0.268 694 P C -0.756 176.478 177.300 -0.111 0.000 1.205 694 P CA 0.266 63.265 63.100 -0.167 0.000 0.771 694 P CB 0.449 32.048 31.700 -0.168 0.000 0.858 695 I N 1.431 121.947 120.570 -0.090 0.000 2.582 695 I HA 0.638 4.860 4.170 0.088 0.000 0.292 695 I C -0.453 175.616 176.117 -0.080 0.000 1.066 695 I CA -0.874 60.393 61.300 -0.055 0.000 1.053 695 I CB 2.284 40.278 38.000 -0.010 0.000 1.241 695 I HN 0.268 nan 8.210 nan 0.000 0.421 696 A N 7.439 130.222 122.820 -0.062 0.000 2.359 696 A HA 0.850 5.222 4.320 0.088 0.000 0.303 696 A C -1.161 176.521 177.584 0.164 0.000 1.066 696 A CA -0.435 51.542 52.037 -0.099 0.000 0.730 696 A CB 1.040 19.791 19.000 -0.415 0.000 1.211 696 A HN 0.647 nan 8.150 nan 0.000 0.439 697 L N 2.070 123.442 121.223 0.248 0.000 2.341 697 L HA 0.788 5.180 4.340 0.088 0.000 0.278 697 L C 0.276 177.347 176.870 0.336 0.000 1.005 697 L CA -0.599 54.400 54.840 0.266 0.000 0.818 697 L CB 1.967 44.133 42.059 0.178 0.000 1.259 697 L HN 0.797 nan 8.230 nan 0.000 0.418 698 A N 2.010 124.929 122.820 0.165 0.000 2.365 698 A HA 0.838 5.211 4.320 0.088 0.000 0.318 698 A C 0.516 178.088 177.584 -0.019 0.000 1.091 698 A CA 0.215 52.226 52.037 -0.043 0.000 0.763 698 A CB 1.423 20.186 19.000 -0.394 0.000 1.248 698 A HN 0.965 nan 8.150 nan 0.000 0.442 699 G N 2.220 110.998 108.800 -0.038 0.000 2.660 699 G HA2 -0.402 3.610 3.960 0.088 0.000 0.321 699 G HA3 -0.402 3.610 3.960 0.088 0.000 0.321 699 G C 0.553 175.456 174.900 0.005 0.000 1.246 699 G CA 1.331 46.418 45.100 -0.022 0.000 1.000 699 G HN 0.819 nan 8.290 nan 0.000 0.550 700 D N 1.476 121.877 120.400 0.002 0.000 2.350 700 D HA 0.318 5.011 4.640 0.088 0.000 0.216 700 D C 2.558 178.868 176.300 0.018 0.000 0.968 700 D CA 1.465 55.463 54.000 -0.003 0.000 0.894 700 D CB -0.266 40.528 40.800 -0.011 0.000 0.909 700 D HN 0.712 nan 8.370 nan 0.000 0.520 701 A N 0.538 123.411 122.820 0.088 0.000 2.070 701 A HA -0.163 4.209 4.320 0.088 0.000 0.220 701 A C 1.981 179.694 177.584 0.215 0.000 1.159 701 A CA 0.864 53.034 52.037 0.222 0.000 0.656 701 A CB -0.288 18.842 19.000 0.216 0.000 0.800 701 A HN 0.120 nan 8.150 nan 0.000 0.453 702 R N -0.120 120.442 120.500 0.104 0.000 2.249 702 R HA -0.095 4.297 4.340 0.088 0.000 0.230 702 R C 1.718 178.026 176.300 0.014 0.000 1.121 702 R CA 1.180 57.323 56.100 0.073 0.000 0.997 702 R CB -0.156 30.172 30.300 0.046 0.000 0.867 702 R HN 0.506 nan 8.270 nan 0.000 0.465 703 K N -0.361 119.996 120.400 -0.072 0.000 2.209 703 K HA -0.130 4.242 4.320 0.088 0.000 0.204 703 K C 1.367 177.826 176.600 -0.236 0.000 1.048 703 K CA 1.106 57.279 56.287 -0.189 0.000 0.940 703 K CB -0.074 32.247 32.500 -0.299 0.000 0.729 703 K HN 0.161 nan 8.250 nan 0.000 0.451 704 F N 1.762 121.688 119.950 -0.041 0.000 2.451 704 F HA -0.080 4.500 4.527 0.088 0.000 0.299 704 F C 1.985 177.737 175.800 -0.081 0.000 1.101 704 F CA 0.913 58.877 58.000 -0.061 0.000 1.436 704 F CB -0.221 38.741 39.000 -0.063 0.000 1.074 704 F HN -0.074 nan 8.300 nan 0.000 0.553 705 K N 0.202 120.644 120.400 0.069 0.000 2.127 705 K HA -0.237 4.135 4.320 0.088 0.000 0.208 705 K C 2.310 178.878 176.600 -0.053 0.000 1.047 705 K CA 1.309 57.590 56.287 -0.010 0.000 0.927 705 K CB -0.418 32.074 32.500 -0.014 0.000 0.716 705 K HN 0.283 nan 8.250 nan 0.000 0.450 706 A N 0.241 123.034 122.820 -0.045 0.000 1.969 706 A HA -0.160 4.213 4.320 0.088 0.000 0.218 706 A C 2.198 179.747 177.584 -0.057 0.000 1.169 706 A CA 2.029 54.033 52.037 -0.056 0.000 0.635 706 A CB -0.774 18.193 19.000 -0.055 0.000 0.810 706 A HN 0.327 nan 8.150 nan 0.000 0.445 707 T N 0.207 114.743 114.554 -0.031 0.000 2.915 707 T HA -0.035 4.368 4.350 0.088 0.000 0.269 707 T C 1.291 175.926 174.700 -0.108 0.000 1.071 707 T CA 1.391 63.474 62.100 -0.028 0.000 1.132 707 T CB -0.569 68.328 68.868 0.048 0.000 0.878 707 T HN 0.601 nan 8.240 nan 0.000 0.479 708 I N -2.217 118.236 120.570 -0.194 0.000 3.884 708 I HA 0.457 4.679 4.170 0.088 0.000 0.330 708 I C 0.103 175.966 176.117 -0.424 0.000 1.451 708 I CA -0.613 60.430 61.300 -0.429 0.000 1.165 708 I CB -0.207 37.366 38.000 -0.712 0.000 1.097 708 I HN -0.084 nan 8.210 nan 0.000 0.404 709 K N 1.632 121.903 120.400 -0.215 0.000 3.003 709 K HA -0.143 4.230 4.320 0.088 0.000 0.257 709 K C -0.137 176.388 176.600 -0.125 0.000 0.958 709 K CA 0.668 56.874 56.287 -0.136 0.000 0.707 709 K CB -1.484 30.962 32.500 -0.091 0.000 1.279 709 K HN 0.465 nan 8.250 nan 0.000 0.479 710 I N 0.541 121.026 120.570 -0.142 0.000 2.519 710 I HA 0.231 4.454 4.170 0.088 0.000 0.287 710 I C 1.451 177.544 176.117 -0.040 0.000 1.047 710 I CA -0.792 60.458 61.300 -0.084 0.000 1.381 710 I CB 0.478 38.429 38.000 -0.082 0.000 1.417 710 I HN 0.289 nan 8.210 nan 0.000 0.540 711 A N 4.864 127.675 122.820 -0.015 0.000 2.492 711 A HA 0.032 4.404 4.320 0.088 0.000 0.236 711 A C 1.143 178.721 177.584 -0.009 0.000 1.078 711 A CA -0.138 51.894 52.037 -0.009 0.000 0.773 711 A CB 0.043 19.043 19.000 0.001 0.000 1.023 711 A HN 0.788 nan 8.150 nan 0.000 0.504 712 D N 0.449 120.845 120.400 -0.008 0.000 2.123 712 D HA -0.232 4.461 4.640 0.088 0.000 0.196 712 D C 2.001 178.301 176.300 -0.001 0.000 0.992 712 D CA 2.128 56.124 54.000 -0.006 0.000 0.833 712 D CB -0.327 40.470 40.800 -0.006 0.000 0.954 712 D HN 0.850 nan 8.370 nan 0.000 0.455 713 Q N 0.651 120.452 119.800 0.002 0.000 2.230 713 Q HA 0.185 4.578 4.340 0.088 0.000 0.202 713 Q C 1.071 177.076 176.000 0.007 0.000 0.963 713 Q CA 1.010 56.816 55.803 0.005 0.000 0.866 713 Q CB 0.137 28.878 28.738 0.005 0.000 0.931 713 Q HN 0.205 nan 8.270 nan 0.000 0.452 714 G N 1.308 110.112 108.800 0.007 0.000 2.422 714 G HA2 -0.041 3.971 3.960 0.088 0.000 0.607 714 G HA3 -0.041 3.971 3.960 0.088 0.000 0.607 714 G C -1.582 173.324 174.900 0.011 0.000 1.270 714 G CA -0.360 44.745 45.100 0.009 0.000 0.992 714 G HN 0.540 nan 8.290 nan 0.000 0.499 715 E N -1.046 119.161 120.200 0.012 0.000 2.388 715 E HA 0.468 4.870 4.350 0.088 0.000 0.282 715 E C -0.982 175.618 176.600 -0.001 0.000 1.026 715 E CA -1.008 55.400 56.400 0.013 0.000 0.820 715 E CB 1.124 30.844 29.700 0.034 0.000 1.226 715 E HN 0.429 nan 8.360 nan 0.000 0.432 716 E N 0.972 121.164 120.200 -0.013 0.000 2.493 716 E HA 0.236 4.638 4.350 0.088 0.000 0.255 716 E C 0.814 177.379 176.600 -0.058 0.000 0.999 716 E CA 1.613 57.991 56.400 -0.037 0.000 0.934 716 E CB 1.010 30.689 29.700 -0.036 0.000 0.940 716 E HN 0.934 nan 8.360 nan 0.000 0.473 717 G N 3.154 111.906 108.800 -0.080 0.000 2.231 717 G HA2 -0.191 3.821 3.960 0.088 0.000 0.206 717 G HA3 -0.191 3.821 3.960 0.088 0.000 0.206 717 G C 0.145 174.998 174.900 -0.079 0.000 0.996 717 G CA -0.456 44.577 45.100 -0.110 0.000 0.645 717 G HN 0.430 nan 8.290 nan 0.000 0.498 718 I N 2.392 122.936 120.570 -0.043 0.000 2.390 718 I HA 0.457 4.680 4.170 0.088 0.000 0.283 718 I C 0.387 176.466 176.117 -0.064 0.000 1.016 718 I CA -0.929 60.353 61.300 -0.029 0.000 1.151 718 I CB 1.240 39.252 38.000 0.021 0.000 1.293 718 I HN -0.108 nan 8.210 nan 0.000 0.458 719 V N 7.368 127.202 119.914 -0.133 0.000 2.498 719 V HA 0.346 4.519 4.120 0.088 0.000 0.279 719 V C 0.292 176.326 176.094 -0.100 0.000 1.048 719 V CA -0.384 61.786 62.300 -0.217 0.000 0.967 719 V CB 1.252 32.795 31.823 -0.467 0.000 0.988 719 V HN 0.850 nan 8.190 nan 0.000 0.473 720 E N 4.167 124.392 120.200 0.042 0.000 2.343 720 E HA 0.877 5.279 4.350 0.088 0.000 0.278 720 E C -0.934 175.831 176.600 0.275 0.000 0.910 720 E CA -0.939 55.591 56.400 0.216 0.000 0.757 720 E CB 2.594 32.362 29.700 0.115 0.000 1.218 720 E HN 0.793 nan 8.360 nan 0.000 0.435 721 A N 1.804 124.802 122.820 0.296 0.000 2.511 721 A HA 0.306 4.679 4.320 0.088 0.000 0.293 721 A C -0.554 177.046 177.584 0.027 0.000 1.098 721 A CA -0.595 51.538 52.037 0.160 0.000 0.643 721 A CB 1.068 20.202 19.000 0.224 0.000 1.302 721 A HN 0.665 nan 8.150 nan 0.000 0.446 722 D N 0.180 120.570 120.400 -0.017 0.000 2.234 722 D HA 0.059 4.752 4.640 0.088 0.000 0.205 722 D C 0.849 177.085 176.300 -0.107 0.000 0.962 722 D CA 2.051 56.024 54.000 -0.046 0.000 0.855 722 D CB 0.242 41.025 40.800 -0.030 0.000 0.951 722 D HN 0.717 nan 8.370 nan 0.000 0.500 723 S N -1.124 114.470 115.700 -0.178 0.000 2.607 723 S HA 0.627 5.150 4.470 0.088 0.000 0.273 723 S C -0.943 173.359 174.600 -0.496 0.000 1.148 723 S CA -0.949 57.098 58.200 -0.255 0.000 0.833 723 S CB 2.363 65.473 63.200 -0.150 0.000 1.130 723 S HN -0.007 nan 8.310 nan 0.000 0.470 724 A N 1.500 123.998 122.820 -0.536 0.000 2.923 724 A HA 0.679 5.051 4.320 0.088 0.000 0.306 724 A C -0.244 177.195 177.584 -0.243 0.000 1.542 724 A CA -0.113 51.488 52.037 -0.726 0.000 1.225 724 A CB -1.066 17.588 19.000 -0.576 0.000 1.147 724 A HN 0.827 nan 8.150 nan 0.000 0.542 725 D N 0.334 120.668 120.400 -0.110 0.000 3.966 725 D HA 0.483 5.176 4.640 0.088 0.000 0.310 725 D C 1.678 178.021 176.300 0.071 0.000 1.536 725 D CA 0.717 54.722 54.000 0.007 0.000 0.980 725 D CB -0.260 40.543 40.800 0.005 0.000 1.397 725 D HN 0.478 nan 8.370 nan 0.000 0.643 726 G N 0.430 109.258 108.800 0.047 0.000 3.869 726 G HA2 -0.405 3.608 3.960 0.088 0.000 0.260 726 G HA3 -0.405 3.608 3.960 0.088 0.000 0.260 726 G C 1.362 176.311 174.900 0.081 0.000 0.870 726 G CA 3.348 48.480 45.100 0.054 0.000 0.731 726 G HN 0.771 nan 8.290 nan 0.000 1.403 727 S N -0.321 115.430 115.700 0.087 0.000 2.481 727 S HA 0.058 4.580 4.470 0.088 0.000 0.231 727 S C 2.117 176.790 174.600 0.122 0.000 0.996 727 S CA 1.455 59.704 58.200 0.082 0.000 0.942 727 S CB -0.279 62.957 63.200 0.060 0.000 0.768 727 S HN 0.607 nan 8.310 nan 0.000 0.520 728 F N 2.280 122.229 119.950 -0.002 0.000 2.102 728 F HA -0.003 4.577 4.527 0.087 0.000 0.298 728 F C 2.223 178.020 175.800 -0.004 0.000 1.105 728 F CA 1.649 59.648 58.000 -0.002 0.000 1.239 728 F CB -0.266 38.734 39.000 -0.000 0.000 0.991 728 F HN 0.156 nan 8.300 nan 0.000 0.474 729 M N 0.259 120.002 119.600 0.238 0.000 2.229 729 M HA -0.144 4.389 4.480 0.088 0.000 0.264 729 M C 1.637 177.944 176.300 0.011 0.000 1.063 729 M CA 1.519 56.884 55.300 0.108 0.000 1.114 729 M CB -1.436 31.243 32.600 0.131 0.000 1.387 729 M HN 0.165 nan 8.290 nan 0.000 0.420 730 D N 0.247 120.660 120.400 0.021 0.000 2.097 730 D HA -0.158 4.534 4.640 0.088 0.000 0.195 730 D C 1.935 178.213 176.300 -0.038 0.000 0.989 730 D CA 1.333 55.331 54.000 -0.003 0.000 0.827 730 D CB -0.059 40.748 40.800 0.010 0.000 0.966 730 D HN 0.469 nan 8.370 nan 0.000 0.456 731 E N 0.311 120.473 120.200 -0.063 0.000 2.058 731 E HA -0.166 4.237 4.350 0.088 0.000 0.194 731 E C 2.041 178.558 176.600 -0.137 0.000 0.997 731 E CA 0.439 56.779 56.400 -0.101 0.000 0.801 731 E CB -0.122 29.497 29.700 -0.135 0.000 0.746 731 E HN 0.191 nan 8.360 nan 0.000 0.450 732 L N 1.007 122.113 121.223 -0.195 0.000 2.046 732 L HA -0.170 4.223 4.340 0.088 0.000 0.208 732 L C 2.078 178.882 176.870 -0.109 0.000 1.077 732 L CA 1.555 56.282 54.840 -0.188 0.000 0.747 732 L CB -0.553 41.356 42.059 -0.249 0.000 0.896 732 L HN 0.166 nan 8.230 nan 0.000 0.432 733 L N -0.211 120.968 121.223 -0.073 0.000 2.141 733 L HA -0.127 4.266 4.340 0.088 0.000 0.209 733 L C 2.570 179.415 176.870 -0.041 0.000 1.094 733 L CA 1.616 56.429 54.840 -0.046 0.000 0.763 733 L CB -1.609 40.434 42.059 -0.027 0.000 0.908 733 L HN 0.208 nan 8.230 nan 0.000 0.437 734 T N -0.627 113.899 114.554 -0.047 0.000 2.857 734 T HA -0.075 4.328 4.350 0.088 0.000 0.266 734 T C 2.009 176.678 174.700 -0.051 0.000 1.048 734 T CA 0.933 63.011 62.100 -0.037 0.000 1.139 734 T CB -0.159 68.687 68.868 -0.036 0.000 0.874 734 T HN 0.189 nan 8.240 nan 0.000 0.455 735 L N 0.257 121.431 121.223 -0.082 0.000 2.056 735 L HA 0.003 4.396 4.340 0.088 0.000 0.207 735 L C 2.676 179.483 176.870 -0.106 0.000 1.078 735 L CA 1.136 55.910 54.840 -0.111 0.000 0.749 735 L CB -0.538 41.435 42.059 -0.145 0.000 0.901 735 L HN 0.276 nan 8.230 nan 0.000 0.433 736 M N -0.520 119.033 119.600 -0.080 0.000 2.159 736 M HA -0.172 4.360 4.480 0.088 0.000 0.263 736 M C 2.436 178.736 176.300 -0.000 0.000 1.063 736 M CA 1.729 57.000 55.300 -0.048 0.000 1.110 736 M CB -0.485 32.093 32.600 -0.036 0.000 1.374 736 M HN 0.316 nan 8.290 nan 0.000 0.411 737 A N 0.117 122.938 122.820 0.003 0.000 2.067 737 A HA 0.082 4.454 4.320 0.088 0.000 0.219 737 A C 2.074 179.699 177.584 0.067 0.000 1.158 737 A CA 1.612 53.670 52.037 0.035 0.000 0.661 737 A CB -0.573 18.442 19.000 0.024 0.000 0.801 737 A HN 0.499 nan 8.150 nan 0.000 0.452 738 A N -2.538 120.303 122.820 0.036 0.000 2.345 738 A HA 0.390 4.762 4.320 0.088 0.000 0.225 738 A C 0.882 178.495 177.584 0.049 0.000 1.243 738 A CA 1.089 53.162 52.037 0.059 0.000 0.875 738 A CB -0.462 18.539 19.000 0.002 0.000 0.929 738 A HN 0.874 nan 8.150 nan 0.000 0.502 739 H N -0.924 118.089 119.070 -0.094 0.000 4.702 739 H HA -0.205 4.404 4.556 0.087 0.000 0.069 739 H C 0.096 175.209 175.328 -0.358 0.000 0.593 739 H CA 2.472 58.441 56.048 -0.132 0.000 1.050 739 H CB -0.554 29.225 29.762 0.029 0.000 0.788 739 H HN 0.450 nan 8.280 nan 0.000 0.820 740 R N -0.189 119.756 120.500 -0.925 0.000 2.888 740 R HA 0.616 5.009 4.340 0.088 0.000 0.266 740 R C -0.595 174.864 176.300 -1.403 0.000 1.020 740 R CA -0.341 54.970 56.100 -1.314 0.000 0.963 740 R CB 1.685 30.922 30.300 -1.773 0.000 1.197 740 R HN 0.111 nan 8.270 nan 0.000 0.481 741 V N 2.406 121.718 119.914 -1.003 0.000 2.221 741 V HA 0.107 4.280 4.120 0.088 0.000 0.258 741 V C 0.695 176.419 176.094 -0.617 0.000 1.179 741 V CA -0.413 61.477 62.300 -0.683 0.000 1.022 741 V CB -0.173 31.386 31.823 -0.439 0.000 1.228 741 V HN 0.716 nan 8.190 nan 0.000 0.487 742 W N 1.724 122.742 121.300 -0.470 0.000 2.392 742 W HA -0.184 4.529 4.660 0.087 0.000 0.279 742 W C 2.539 178.831 176.519 -0.378 0.000 1.225 742 W CA 0.849 57.803 57.345 -0.651 0.000 1.233 742 W CB -0.282 28.449 29.460 -1.216 0.000 1.122 742 W HN 0.669 nan 8.180 nan 0.000 0.561 743 S N 0.753 116.412 115.700 -0.069 0.000 2.474 743 S HA -0.160 4.362 4.470 0.088 0.000 0.235 743 S C 1.705 176.266 174.600 -0.065 0.000 0.997 743 S CA 0.859 59.035 58.200 -0.039 0.000 0.949 743 S CB -0.405 62.773 63.200 -0.037 0.000 0.766 743 S HN 0.404 nan 8.310 nan 0.000 0.517 744 R N 0.554 120.973 120.500 -0.135 0.000 2.313 744 R HA 0.263 4.655 4.340 0.088 0.000 0.199 744 R C 1.545 177.767 176.300 -0.129 0.000 0.958 744 R CA 0.163 56.163 56.100 -0.166 0.000 1.047 744 R CB -0.377 29.721 30.300 -0.336 0.000 0.955 744 R HN 0.471 nan 8.270 nan 0.000 0.481 745 I N 1.817 122.352 120.570 -0.059 0.000 2.163 745 I HA -0.212 4.010 4.170 0.088 0.000 0.243 745 I C -0.830 175.302 176.117 0.025 0.000 1.085 745 I CA 1.314 62.618 61.300 0.007 0.000 1.347 745 I CB -0.769 37.278 38.000 0.078 0.000 1.044 745 I HN 0.168 nan 8.210 nan 0.000 0.408 746 P HA -0.178 nan 4.420 nan 0.000 0.218 746 P C 1.158 178.485 177.300 0.044 0.000 1.148 746 P CA 1.540 64.664 63.100 0.041 0.000 0.822 746 P CB -0.069 31.653 31.700 0.037 0.000 0.784 747 K N -0.459 119.965 120.400 0.039 0.000 2.305 747 K HA 0.053 4.426 4.320 0.088 0.000 0.199 747 K C 1.998 178.664 176.600 0.110 0.000 1.047 747 K CA 0.771 57.106 56.287 0.080 0.000 0.976 747 K CB -0.448 32.127 32.500 0.125 0.000 0.765 747 K HN 0.287 nan 8.250 nan 0.000 0.474 748 I N -1.342 119.256 120.570 0.046 0.000 2.830 748 I HA -0.105 4.117 4.170 0.088 0.000 0.263 748 I C 1.562 177.722 176.117 0.073 0.000 1.230 748 I CA 1.216 62.549 61.300 0.055 0.000 1.480 748 I CB -0.155 37.819 38.000 -0.045 0.000 1.095 748 I HN -0.112 nan 8.210 nan 0.000 0.455 749 D N 2.079 122.521 120.400 0.070 0.000 2.178 749 D HA -0.164 4.529 4.640 0.088 0.000 0.201 749 D C 1.877 178.215 176.300 0.065 0.000 0.980 749 D CA 1.243 55.284 54.000 0.070 0.000 0.842 749 D CB 0.081 40.922 40.800 0.068 0.000 0.948 749 D HN 0.176 nan 8.370 nan 0.000 0.472 750 K N -0.511 119.929 120.400 0.066 0.000 2.487 750 K HA 0.190 4.563 4.320 0.088 0.000 0.192 750 K C 0.009 176.638 176.600 0.047 0.000 1.027 750 K CA -0.136 56.182 56.287 0.053 0.000 1.054 750 K CB 0.163 32.691 32.500 0.047 0.000 0.824 750 K HN 0.159 nan 8.250 nan 0.000 0.510 751 I N 2.477 123.083 120.570 0.058 0.000 2.342 751 I HA 0.133 4.355 4.170 0.088 0.000 0.291 751 I C -2.188 173.953 176.117 0.039 0.000 1.010 751 I CA -2.650 58.676 61.300 0.043 0.000 1.308 751 I CB 0.932 38.972 38.000 0.066 0.000 1.400 751 I HN -0.005 nan 8.210 nan 0.000 0.488 752 P HA 0.358 nan 4.420 nan 0.000 0.244 752 P C -1.035 176.313 177.300 0.079 0.000 1.769 752 P CA -0.020 63.112 63.100 0.052 0.000 1.102 752 P CB 0.121 31.850 31.700 0.047 0.000 1.937 753 A N 0.000 122.861 122.820 0.068 0.000 2.254 753 A HA 0.000 4.373 4.320 0.088 0.000 0.244 753 A CA 0.000 52.097 52.037 0.099 0.000 0.836 753 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486