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 1p80_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRQIRGFA 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 -0.029 0.000 2.045 27 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 28 S N 0.954 116.637 115.700 -0.028 0.000 4.045 28 S HA 0.094 4.563 4.470 -0.001 0.000 0.208 28 S C 0.259 174.833 174.600 -0.044 0.000 0.369 28 S CA 1.030 59.210 58.200 -0.033 0.000 1.395 28 S CB -1.942 61.242 63.200 -0.027 0.000 1.660 28 S HN 0.587 nan 8.310 nan 0.000 0.307 29 L N -0.329 120.860 121.223 -0.058 0.000 2.235 29 L HA 1.047 5.387 4.340 -0.001 0.000 0.260 29 L C 0.348 177.136 176.870 -0.137 0.000 1.025 29 L CA -1.229 53.559 54.840 -0.087 0.000 0.836 29 L CB 0.300 42.314 42.059 -0.076 0.000 1.395 29 L HN 0.456 nan 8.230 nan 0.000 0.443 30 A N 0.200 122.878 122.820 -0.236 0.000 2.466 30 A HA 0.559 4.879 4.320 -0.001 0.000 0.238 30 A C -2.110 175.322 177.584 -0.253 0.000 1.074 30 A CA -0.713 51.056 52.037 -0.448 0.000 0.774 30 A CB -1.148 17.300 19.000 -0.919 0.000 1.015 30 A HN 0.703 nan 8.150 nan 0.000 0.498 31 P HA 0.097 nan 4.420 nan 0.000 0.268 31 P C 0.323 177.605 177.300 -0.031 0.000 1.205 31 P CA -0.017 63.049 63.100 -0.057 0.000 0.771 31 P CB 0.842 32.550 31.700 0.014 0.000 0.858 32 E N 2.368 122.560 120.200 -0.014 0.000 2.097 32 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 32 E C 1.185 177.803 176.600 0.030 0.000 1.000 32 E CA 2.197 58.598 56.400 0.002 0.000 0.804 32 E CB -0.478 29.223 29.700 0.001 0.000 0.740 32 E HN 0.557 nan 8.360 nan 0.000 0.454 33 D N -1.360 119.065 120.400 0.041 0.000 2.371 33 D HA -0.002 4.638 4.640 -0.001 0.000 0.221 33 D C 1.282 177.631 176.300 0.082 0.000 0.986 33 D CA 0.959 54.989 54.000 0.051 0.000 0.899 33 D CB -0.404 40.419 40.800 0.038 0.000 0.902 33 D HN 0.325 nan 8.370 nan 0.000 0.530 34 G N 0.118 109.013 108.800 0.157 0.000 2.143 34 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.248 34 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.248 34 G C 0.937 175.917 174.900 0.133 0.000 0.991 34 G CA 0.795 46.026 45.100 0.219 0.000 0.689 34 G HN 0.708 nan 8.290 nan 0.000 0.522 35 S N -0.348 115.448 115.700 0.160 0.000 2.607 35 S HA 0.088 4.558 4.470 -0.001 0.000 0.224 35 S C 1.628 176.280 174.600 0.086 0.000 0.969 35 S CA 1.101 59.348 58.200 0.079 0.000 0.927 35 S CB -0.565 62.672 63.200 0.062 0.000 0.772 35 S HN 1.027 nan 8.310 nan 0.000 0.533 36 H N 0.399 119.475 119.070 0.011 0.000 2.502 36 H HA 0.328 4.883 4.556 -0.001 0.000 0.283 36 H C 1.091 176.430 175.328 0.018 0.000 1.015 36 H CA 0.088 56.143 56.048 0.012 0.000 1.298 36 H CB -0.022 29.746 29.762 0.010 0.000 1.411 36 H HN 0.308 nan 8.280 nan 0.000 0.556 37 R N 1.952 122.131 120.500 -0.536 0.000 2.338 37 R HA 0.330 4.669 4.340 -0.001 0.000 0.317 37 R C -2.766 173.439 176.300 -0.159 0.000 0.968 37 R CA -2.413 53.468 56.100 -0.365 0.000 0.849 37 R CB 0.937 30.926 30.300 -0.518 0.000 1.128 37 R HN 0.105 nan 8.270 nan 0.000 0.448 38 P HA 0.093 nan 4.420 nan 0.000 0.271 38 P C -1.067 176.222 177.300 -0.018 0.000 1.216 38 P CA -0.245 62.843 63.100 -0.021 0.000 0.776 38 P CB 1.121 32.834 31.700 0.023 0.000 0.881 39 A N 2.808 125.624 122.820 -0.007 0.000 2.462 39 A HA 0.437 4.757 4.320 -0.001 0.000 0.243 39 A C 0.803 178.395 177.584 0.014 0.000 1.076 39 A CA -0.034 52.002 52.037 -0.001 0.000 0.773 39 A CB -0.238 18.763 19.000 0.003 0.000 1.010 39 A HN 0.560 nan 8.150 nan 0.000 0.493 40 A N 2.817 125.645 122.820 0.014 0.000 3.118 40 A HA 0.524 4.843 4.320 -0.001 0.000 0.256 40 A C 0.134 177.734 177.584 0.027 0.000 1.667 40 A CA -0.075 51.976 52.037 0.024 0.000 1.338 40 A CB -0.442 18.570 19.000 0.019 0.000 1.127 40 A HN 0.724 nan 8.150 nan 0.000 0.634 41 E N 0.261 120.479 120.200 0.030 0.000 2.407 41 E HA 0.357 4.706 4.350 -0.001 0.000 0.279 41 E C -3.165 173.455 176.600 0.034 0.000 1.012 41 E CA -1.956 54.463 56.400 0.032 0.000 0.800 41 E CB 1.572 31.287 29.700 0.024 0.000 1.276 41 E HN 0.043 nan 8.360 nan 0.000 0.452 42 P HA 0.086 nan 4.420 nan 0.000 0.263 42 P C -0.562 176.745 177.300 0.012 0.000 1.195 42 P CA 0.200 63.314 63.100 0.023 0.000 0.762 42 P CB 0.150 31.854 31.700 0.007 0.000 0.799 43 T N 1.062 115.618 114.554 0.004 0.000 2.909 43 T HA 0.620 4.970 4.350 -0.001 0.000 0.299 43 T C -2.979 171.689 174.700 -0.053 0.000 1.073 43 T CA -2.677 59.418 62.100 -0.007 0.000 0.999 43 T CB 1.677 70.547 68.868 0.002 0.000 1.098 43 T HN 0.057 nan 8.240 nan 0.000 0.477 44 P HA 0.340 nan 4.420 nan 0.000 0.272 44 P C -2.743 174.423 177.300 -0.224 0.000 1.230 44 P CA -1.592 61.348 63.100 -0.267 0.000 0.788 44 P CB -0.977 30.633 31.700 -0.151 0.000 0.949 45 P HA 0.026 nan 4.420 nan 0.000 0.262 45 P C 1.095 178.352 177.300 -0.071 0.000 1.182 45 P CA 1.405 64.415 63.100 -0.150 0.000 0.761 45 P CB -0.321 31.291 31.700 -0.147 0.000 0.795 46 G N 2.797 111.581 108.800 -0.026 0.000 2.179 46 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.260 46 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.260 46 G C 1.109 176.007 174.900 -0.004 0.000 0.977 46 G CA 0.409 45.505 45.100 -0.006 0.000 0.641 46 G HN 0.690 nan 8.290 nan 0.000 0.533 47 A N -1.326 121.487 122.820 -0.011 0.000 1.970 47 A HA 0.440 4.760 4.320 -0.001 0.000 0.216 47 A C 1.337 178.923 177.584 0.004 0.000 1.170 47 A CA 1.974 54.009 52.037 -0.004 0.000 0.645 47 A CB 0.033 19.028 19.000 -0.008 0.000 0.816 47 A HN 0.495 nan 8.150 nan 0.000 0.447 48 Q N -1.215 118.590 119.800 0.009 0.000 2.501 48 Q HA 0.423 4.763 4.340 -0.001 0.000 0.288 48 Q C -3.021 172.993 176.000 0.023 0.000 1.051 48 Q CA -2.002 53.810 55.803 0.015 0.000 0.788 48 Q CB 1.017 29.767 28.738 0.019 0.000 1.469 48 Q HN 0.051 nan 8.270 nan 0.000 0.416 49 P HA 0.064 nan 4.420 nan 0.000 0.271 49 P C -0.218 177.113 177.300 0.051 0.000 1.216 49 P CA 0.039 63.153 63.100 0.023 0.000 0.776 49 P CB 0.211 31.921 31.700 0.018 0.000 0.881 50 T N -0.310 114.275 114.554 0.053 0.000 2.802 50 T HA 0.579 4.929 4.350 -0.001 0.000 0.305 50 T C 0.072 174.862 174.700 0.150 0.000 1.053 50 T CA -0.437 61.745 62.100 0.137 0.000 1.058 50 T CB 0.584 69.483 68.868 0.051 0.000 0.988 50 T HN 0.597 nan 8.240 nan 0.000 0.539 51 A N 1.329 124.337 122.820 0.313 0.000 2.602 51 A HA 0.767 5.087 4.320 -0.001 0.000 0.290 51 A C -3.075 174.771 177.584 0.437 0.000 1.114 51 A CA -1.980 50.219 52.037 0.269 0.000 0.683 51 A CB 0.508 19.615 19.000 0.178 0.000 1.281 51 A HN 0.654 nan 8.150 nan 0.000 0.416 52 P HA 0.142 nan 4.420 nan 0.000 0.265 52 P C 1.220 178.665 177.300 0.242 0.000 1.187 52 P CA 0.927 64.235 63.100 0.346 0.000 0.766 52 P CB 0.578 32.410 31.700 0.220 0.000 0.820 53 G N 2.318 111.222 108.800 0.173 0.000 2.469 53 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.219 53 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.219 53 G C 1.578 176.496 174.900 0.029 0.000 1.150 53 G CA 1.168 46.286 45.100 0.031 0.000 0.763 53 G HN 0.592 nan 8.290 nan 0.000 0.561 54 S N 0.105 115.827 115.700 0.036 0.000 2.447 54 S HA 0.110 4.579 4.470 -0.001 0.000 0.233 54 S C 2.227 176.846 174.600 0.032 0.000 1.006 54 S CA 0.942 59.151 58.200 0.015 0.000 0.957 54 S CB -0.197 63.006 63.200 0.006 0.000 0.773 54 S HN 0.330 nan 8.310 nan 0.000 0.507 55 L N -0.176 121.082 121.223 0.058 0.000 2.298 55 L HA 0.279 4.619 4.340 -0.001 0.000 0.209 55 L C 2.650 179.552 176.870 0.054 0.000 1.084 55 L CA 0.775 55.649 54.840 0.056 0.000 0.816 55 L CB -0.351 41.749 42.059 0.069 0.000 0.967 55 L HN 0.245 nan 8.230 nan 0.000 0.460 56 K N 1.492 121.934 120.400 0.070 0.000 2.116 56 K HA 0.050 4.369 4.320 -0.001 0.000 0.203 56 K C 0.682 177.310 176.600 0.047 0.000 1.052 56 K CA 1.214 57.541 56.287 0.067 0.000 0.952 56 K CB 0.161 32.715 32.500 0.091 0.000 0.729 56 K HN 0.154 nan 8.250 nan 0.000 0.446 57 A N 0.742 123.582 122.820 0.034 0.000 3.266 57 A HA 0.350 4.670 4.320 -0.001 0.000 0.310 57 A C -2.252 175.336 177.584 0.007 0.000 1.066 57 A CA -1.020 51.033 52.037 0.027 0.000 0.839 57 A CB 0.696 19.718 19.000 0.035 0.000 1.192 57 A HN 0.129 nan 8.150 nan 0.000 0.496 58 P HA -0.115 nan 4.420 nan 0.000 0.220 58 P C 0.179 177.471 177.300 -0.012 0.000 1.148 58 P CA 1.187 64.285 63.100 -0.002 0.000 0.803 58 P CB 0.303 32.006 31.700 0.005 0.000 0.782 59 D N -0.987 119.410 120.400 -0.005 0.000 2.349 59 D HA 0.002 4.642 4.640 -0.001 0.000 0.215 59 D C 0.349 176.635 176.300 -0.024 0.000 1.016 59 D CA 0.619 54.613 54.000 -0.011 0.000 0.870 59 D CB -0.517 40.283 40.800 0.001 0.000 0.917 59 D HN 0.124 nan 8.370 nan 0.000 0.524 60 T N 2.049 116.586 114.554 -0.029 0.000 2.727 60 T HA 0.367 4.717 4.350 -0.001 0.000 0.295 60 T C 0.497 175.150 174.700 -0.079 0.000 0.915 60 T CA -0.183 61.885 62.100 -0.054 0.000 1.066 60 T CB 0.965 69.800 68.868 -0.056 0.000 0.891 60 T HN -0.056 nan 8.240 nan 0.000 0.516 61 R N 2.805 123.250 120.500 -0.091 0.000 2.867 61 R HA 0.700 5.039 4.340 -0.001 0.000 0.268 61 R C -0.609 175.624 176.300 -0.110 0.000 1.014 61 R CA -1.097 54.943 56.100 -0.100 0.000 0.946 61 R CB 1.551 31.801 30.300 -0.083 0.000 1.208 61 R HN 0.751 nan 8.270 nan 0.000 0.477 62 N N -1.614 117.024 118.700 -0.103 0.000 2.927 62 N HA 0.006 4.746 4.740 -0.001 0.000 0.248 62 N C -0.091 175.369 175.510 -0.083 0.000 1.443 62 N CA -0.903 52.098 53.050 -0.082 0.000 0.870 62 N CB 0.868 39.333 38.487 -0.037 0.000 1.444 62 N HN 0.645 nan 8.380 nan 0.000 0.519 63 E N -0.139 120.027 120.200 -0.057 0.000 2.085 63 E HA -0.272 4.078 4.350 -0.001 0.000 0.194 63 E C 1.051 177.580 176.600 -0.118 0.000 0.994 63 E CA 1.522 57.884 56.400 -0.063 0.000 0.801 63 E CB 0.087 29.774 29.700 -0.021 0.000 0.743 63 E HN 0.492 nan 8.360 nan 0.000 0.453 64 K N 0.619 120.915 120.400 -0.173 0.000 2.057 64 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 64 K C 2.057 178.494 176.600 -0.272 0.000 1.050 64 K CA 1.132 57.227 56.287 -0.320 0.000 0.935 64 K CB -0.411 31.741 32.500 -0.580 0.000 0.715 64 K HN 0.180 nan 8.250 nan 0.000 0.439 65 L N 0.873 121.946 121.223 -0.249 0.000 2.042 65 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 65 L C 1.837 178.591 176.870 -0.194 0.000 1.076 65 L CA 1.313 55.978 54.840 -0.290 0.000 0.749 65 L CB -0.573 41.310 42.059 -0.293 0.000 0.893 65 L HN 0.262 nan 8.230 nan 0.000 0.432 66 N N -0.369 118.244 118.700 -0.145 0.000 2.188 66 N HA -0.153 4.586 4.740 -0.001 0.000 0.184 66 N C 2.057 177.508 175.510 -0.098 0.000 1.018 66 N CA 1.631 54.618 53.050 -0.104 0.000 0.858 66 N CB -0.471 37.968 38.487 -0.081 0.000 0.989 66 N HN 0.361 nan 8.380 nan 0.000 0.426 67 S N 0.543 116.175 115.700 -0.114 0.000 2.442 67 S HA -0.010 4.459 4.470 -0.001 0.000 0.236 67 S C 1.769 176.309 174.600 -0.100 0.000 1.007 67 S CA 0.516 58.656 58.200 -0.100 0.000 0.965 67 S CB -0.511 62.623 63.200 -0.111 0.000 0.773 67 S HN 0.261 nan 8.310 nan 0.000 0.504 68 L N 0.690 121.840 121.223 -0.121 0.000 2.599 68 L HA 0.215 4.555 4.340 -0.001 0.000 0.230 68 L C 2.549 179.376 176.870 -0.073 0.000 1.141 68 L CA 0.442 55.219 54.840 -0.104 0.000 0.877 68 L CB -0.360 41.620 42.059 -0.131 0.000 1.009 68 L HN 0.255 nan 8.230 nan 0.000 0.447 69 E N 1.021 121.181 120.200 -0.067 0.000 2.204 69 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 69 E C 1.698 178.280 176.600 -0.031 0.000 0.990 69 E CA 1.351 57.725 56.400 -0.044 0.000 0.821 69 E CB -0.045 29.631 29.700 -0.041 0.000 0.750 69 E HN 0.569 nan 8.360 nan 0.000 0.477 70 D N -0.568 119.812 120.400 -0.033 0.000 2.218 70 D HA -0.145 4.495 4.640 -0.001 0.000 0.204 70 D C 1.635 177.923 176.300 -0.020 0.000 0.976 70 D CA 1.635 55.620 54.000 -0.025 0.000 0.853 70 D CB -0.362 40.423 40.800 -0.025 0.000 0.939 70 D HN 0.292 nan 8.370 nan 0.000 0.481 71 V N -3.420 116.480 119.914 -0.023 0.000 3.528 71 V HA 0.319 4.438 4.120 -0.001 0.000 0.294 71 V C 0.855 176.944 176.094 -0.008 0.000 1.404 71 V CA -0.685 61.606 62.300 -0.014 0.000 1.065 71 V CB -0.498 31.317 31.823 -0.013 0.000 0.904 71 V HN -0.151 nan 8.190 nan 0.000 0.435 72 R N 2.046 122.540 120.500 -0.010 0.000 2.537 72 R HA 0.397 4.737 4.340 -0.001 0.000 0.280 72 R C -0.273 176.030 176.300 0.005 0.000 1.058 72 R CA 0.165 56.267 56.100 0.003 0.000 1.057 72 R CB 0.588 30.890 30.300 0.002 0.000 0.973 72 R HN 0.362 nan 8.270 nan 0.000 0.438 73 K N 1.176 121.583 120.400 0.013 0.000 2.413 73 K HA 0.316 4.636 4.320 -0.001 0.000 0.257 73 K C -0.052 176.566 176.600 0.030 0.000 0.946 73 K CA -0.376 55.908 56.287 -0.004 0.000 0.823 73 K CB 1.778 34.261 32.500 -0.028 0.000 1.109 73 K HN 0.699 nan 8.250 nan 0.000 0.427 74 G N 0.633 109.468 108.800 0.060 0.000 2.504 74 G HA2 0.265 4.224 3.960 -0.001 0.000 0.257 74 G HA3 0.265 4.224 3.960 -0.001 0.000 0.257 74 G C 0.276 175.282 174.900 0.176 0.000 1.451 74 G CA 0.246 45.432 45.100 0.144 0.000 1.059 74 G HN 0.759 nan 8.290 nan 0.000 0.550 75 S N -2.776 113.100 115.700 0.293 0.000 2.501 75 S HA 0.095 4.565 4.470 -0.001 0.000 0.250 75 S C 0.196 174.960 174.600 0.273 0.000 0.959 75 S CA -0.137 58.240 58.200 0.295 0.000 1.250 75 S CB -0.013 63.274 63.200 0.145 0.000 0.933 75 S HN 0.515 nan 8.310 nan 0.000 0.420 76 E N 3.122 123.403 120.200 0.134 0.000 2.415 76 E HA 0.279 4.629 4.350 -0.001 0.000 0.263 76 E C -0.226 176.281 176.600 -0.155 0.000 0.995 76 E CA 0.235 56.643 56.400 0.013 0.000 0.915 76 E CB 0.037 29.740 29.700 0.004 0.000 0.951 76 E HN 0.382 nan 8.360 nan 0.000 0.449 77 N N 0.794 119.420 118.700 -0.123 0.000 2.878 77 N HA -0.206 4.533 4.740 -0.001 0.000 0.247 77 N C -1.173 174.197 175.510 -0.233 0.000 1.021 77 N CA 1.106 54.041 53.050 -0.192 0.000 0.873 77 N CB -1.319 37.011 38.487 -0.261 0.000 1.128 77 N HN 0.380 nan 8.380 nan 0.000 0.571 78 Y N 0.596 120.903 120.300 0.010 0.000 2.419 78 Y HA 0.651 5.201 4.550 -0.000 0.000 0.328 78 Y C 0.896 176.799 175.900 0.006 0.000 1.162 78 Y CA -0.636 57.468 58.100 0.008 0.000 1.174 78 Y CB 1.072 39.538 38.460 0.009 0.000 1.228 78 Y HN 0.118 nan 8.280 nan 0.000 0.473 79 A N 2.478 125.416 122.820 0.196 0.000 2.371 79 A HA 0.412 4.732 4.320 -0.001 0.000 0.257 79 A C -0.735 176.897 177.584 0.080 0.000 1.089 79 A CA -0.514 51.584 52.037 0.102 0.000 0.794 79 A CB 0.089 19.136 19.000 0.079 0.000 1.029 79 A HN 0.712 nan 8.150 nan 0.000 0.488 80 L N 2.911 124.163 121.223 0.048 0.000 2.410 80 L HA 0.503 4.842 4.340 -0.001 0.000 0.273 80 L C 0.665 177.544 176.870 0.015 0.000 1.144 80 L CA 1.167 56.022 54.840 0.025 0.000 0.863 80 L CB 0.342 42.408 42.059 0.011 0.000 1.140 80 L HN 0.925 nan 8.230 nan 0.000 0.463 81 T N 0.366 114.923 114.554 0.005 0.000 2.864 81 T HA 0.679 5.029 4.350 -0.001 0.000 0.289 81 T C 0.188 174.890 174.700 0.004 0.000 1.082 81 T CA -0.180 61.926 62.100 0.009 0.000 1.009 81 T CB 1.033 69.908 68.868 0.012 0.000 1.234 81 T HN 0.775 nan 8.240 nan 0.000 0.526 82 T N 0.032 114.603 114.554 0.028 0.000 2.754 82 T HA 0.263 4.613 4.350 -0.001 0.000 0.286 82 T C 1.018 175.735 174.700 0.029 0.000 0.997 82 T CA -0.606 61.520 62.100 0.043 0.000 0.982 82 T CB -0.013 68.925 68.868 0.117 0.000 1.027 82 T HN 0.559 nan 8.240 nan 0.000 0.529 83 N N 0.446 119.165 118.700 0.032 0.000 2.520 83 N HA -0.060 4.680 4.740 -0.001 0.000 0.185 83 N C 1.487 177.015 175.510 0.029 0.000 1.068 83 N CA 0.520 53.581 53.050 0.018 0.000 0.911 83 N CB -0.132 38.373 38.487 0.031 0.000 0.961 83 N HN 0.546 nan 8.380 nan 0.000 0.446 84 Q N -0.531 119.297 119.800 0.048 0.000 2.360 84 Q HA 0.194 4.534 4.340 -0.001 0.000 0.202 84 Q C 0.808 176.827 176.000 0.031 0.000 0.915 84 Q CA 0.130 55.956 55.803 0.038 0.000 0.943 84 Q CB 0.425 29.189 28.738 0.045 0.000 1.064 84 Q HN 0.387 nan 8.270 nan 0.000 0.511 85 G N 0.477 109.295 108.800 0.030 0.000 2.132 85 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.234 85 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.234 85 G C 0.039 174.963 174.900 0.039 0.000 0.989 85 G CA 0.132 45.245 45.100 0.022 0.000 0.676 85 G HN 0.211 nan 8.290 nan 0.000 0.522 86 V N 1.591 121.545 119.914 0.067 0.000 2.432 86 V HA 0.362 4.481 4.120 -0.001 0.000 0.271 86 V C 1.313 177.446 176.094 0.066 0.000 1.046 86 V CA -0.615 61.736 62.300 0.086 0.000 0.945 86 V CB 1.057 32.977 31.823 0.162 0.000 0.992 86 V HN 0.418 nan 8.190 nan 0.000 0.471 87 R N 4.388 124.919 120.500 0.051 0.000 2.570 87 R HA 0.312 4.651 4.340 -0.001 0.000 0.277 87 R C -0.492 175.822 176.300 0.025 0.000 1.039 87 R CA 0.048 56.169 56.100 0.036 0.000 1.065 87 R CB 0.417 30.738 30.300 0.034 0.000 0.964 87 R HN 0.575 nan 8.270 nan 0.000 0.428 88 I N 1.935 122.508 120.570 0.005 0.000 2.353 88 I HA 0.133 4.303 4.170 -0.001 0.000 0.293 88 I C 0.931 177.038 176.117 -0.016 0.000 0.992 88 I CA 0.034 61.321 61.300 -0.021 0.000 1.268 88 I CB 1.900 39.877 38.000 -0.039 0.000 1.387 88 I HN 0.770 nan 8.210 nan 0.000 0.478 89 A N 3.850 126.656 122.820 -0.023 0.000 1.924 89 A HA 0.041 4.361 4.320 -0.001 0.000 0.211 89 A C 0.622 178.191 177.584 -0.025 0.000 1.198 89 A CA 0.805 52.832 52.037 -0.017 0.000 0.657 89 A CB 0.087 19.079 19.000 -0.012 0.000 0.852 89 A HN 0.673 nan 8.150 nan 0.000 0.454 90 D N -0.438 119.939 120.400 -0.038 0.000 2.440 90 D HA 0.328 4.967 4.640 -0.001 0.000 0.252 90 D C -1.283 174.986 176.300 -0.052 0.000 1.180 90 D CA -0.348 53.628 54.000 -0.040 0.000 0.894 90 D CB 1.178 41.954 40.800 -0.040 0.000 1.111 90 D HN 0.054 nan 8.370 nan 0.000 0.544 91 D N 1.983 122.356 120.400 -0.046 0.000 2.370 91 D HA 0.044 4.683 4.640 -0.001 0.000 0.230 91 D C 0.654 176.923 176.300 -0.052 0.000 1.143 91 D CA 0.299 54.267 54.000 -0.053 0.000 0.834 91 D CB 0.502 41.276 40.800 -0.044 0.000 0.944 91 D HN 0.243 nan 8.370 nan 0.000 0.504 92 Q N -0.661 119.110 119.800 -0.048 0.000 2.280 92 Q HA 0.258 4.597 4.340 -0.001 0.000 0.228 92 Q C -0.156 175.815 176.000 -0.048 0.000 0.857 92 Q CA 0.177 55.952 55.803 -0.046 0.000 0.939 92 Q CB 0.810 29.525 28.738 -0.037 0.000 1.114 92 Q HN 0.179 nan 8.270 nan 0.000 0.514 93 N N 0.136 118.805 118.700 -0.051 0.000 2.277 93 N HA 0.300 5.039 4.740 -0.001 0.000 0.286 93 N C -0.992 174.484 175.510 -0.056 0.000 1.140 93 N CA -0.218 52.803 53.050 -0.048 0.000 0.799 93 N CB 2.157 40.620 38.487 -0.040 0.000 1.596 93 N HN -0.168 nan 8.380 nan 0.000 0.473 94 S N 0.758 116.427 115.700 -0.050 0.000 2.603 94 S HA 0.271 4.740 4.470 -0.001 0.000 0.268 94 S C 0.206 174.781 174.600 -0.043 0.000 1.317 94 S CA -0.566 57.604 58.200 -0.050 0.000 1.012 94 S CB 0.739 63.915 63.200 -0.039 0.000 0.926 94 S HN 0.402 nan 8.310 nan 0.000 0.539 95 L N 3.298 124.496 121.223 -0.043 0.000 2.360 95 L HA 0.395 4.735 4.340 -0.001 0.000 0.276 95 L C 0.116 176.977 176.870 -0.015 0.000 1.121 95 L CA 0.401 55.224 54.840 -0.029 0.000 0.845 95 L CB -0.133 41.910 42.059 -0.026 0.000 1.143 95 L HN 0.722 nan 8.230 nan 0.000 0.452 96 R N 4.215 124.709 120.500 -0.011 0.000 2.808 96 R HA 0.852 5.192 4.340 -0.001 0.000 0.272 96 R C -1.131 175.167 176.300 -0.002 0.000 0.995 96 R CA -0.847 55.249 56.100 -0.006 0.000 0.917 96 R CB 1.163 31.458 30.300 -0.009 0.000 1.217 96 R HN 0.578 nan 8.270 nan 0.000 0.471 97 A N 1.353 124.173 122.820 0.000 0.000 2.666 97 A HA 0.579 4.899 4.320 -0.001 0.000 0.312 97 A C 0.614 178.198 177.584 -0.000 0.000 1.471 97 A CA 0.321 52.359 52.037 0.002 0.000 1.134 97 A CB -0.930 18.072 19.000 0.004 0.000 1.129 97 A HN 1.235 nan 8.150 nan 0.000 0.539 98 G N 1.066 109.865 108.800 -0.001 0.000 2.692 98 G HA2 0.040 3.999 3.960 -0.001 0.000 0.686 98 G HA3 0.040 3.999 3.960 -0.001 0.000 0.686 98 G C 0.718 175.615 174.900 -0.005 0.000 1.243 98 G CA 0.162 45.260 45.100 -0.003 0.000 0.782 98 G HN 1.834 nan 8.290 nan 0.000 0.625 99 S N -0.265 115.431 115.700 -0.006 0.000 2.507 99 S HA -0.020 4.450 4.470 -0.001 0.000 0.235 99 S C 1.604 176.199 174.600 -0.009 0.000 0.988 99 S CA 1.515 59.710 58.200 -0.009 0.000 0.944 99 S CB 0.039 63.233 63.200 -0.009 0.000 0.762 99 S HN 0.749 nan 8.310 nan 0.000 0.526 100 R N 0.684 121.180 120.500 -0.007 0.000 2.577 100 R HA 0.321 4.660 4.340 -0.001 0.000 0.344 100 R C 0.920 177.217 176.300 -0.006 0.000 1.037 100 R CA 0.109 56.205 56.100 -0.007 0.000 1.102 100 R CB 0.793 31.089 30.300 -0.006 0.000 1.313 100 R HN 0.451 nan 8.270 nan 0.000 0.561 101 G N 1.816 110.613 108.800 -0.005 0.000 2.535 101 G HA2 0.359 4.318 3.960 -0.001 0.000 0.303 101 G HA3 0.359 4.318 3.960 -0.001 0.000 0.303 101 G C -2.379 172.519 174.900 -0.004 0.000 1.237 101 G CA -1.050 44.048 45.100 -0.003 0.000 0.986 101 G HN -0.107 nan 8.290 nan 0.000 0.494 102 P HA 0.210 nan 4.420 nan 0.000 0.275 102 P C -0.111 177.188 177.300 -0.001 0.000 1.228 102 P CA -0.080 63.019 63.100 -0.000 0.000 0.786 102 P CB 0.774 32.475 31.700 0.002 0.000 0.927 103 T N 2.709 117.262 114.554 -0.001 0.000 2.919 103 T HA 0.255 4.605 4.350 -0.001 0.000 0.302 103 T C 0.514 175.217 174.700 0.005 0.000 1.031 103 T CA -0.138 61.961 62.100 -0.002 0.000 1.127 103 T CB 0.019 68.883 68.868 -0.005 0.000 0.952 103 T HN 0.187 nan 8.240 nan 0.000 0.540 104 L N 3.344 124.572 121.223 0.008 0.000 2.357 104 L HA 0.324 4.663 4.340 -0.001 0.000 0.273 104 L C 1.390 178.276 176.870 0.026 0.000 1.080 104 L CA -0.790 54.061 54.840 0.017 0.000 0.803 104 L CB 0.801 42.872 42.059 0.020 0.000 1.174 104 L HN 0.506 nan 8.230 nan 0.000 0.443 105 L N 2.059 123.302 121.223 0.032 0.000 2.265 105 L HA -0.172 4.168 4.340 -0.001 0.000 0.215 105 L C 2.291 179.199 176.870 0.063 0.000 1.117 105 L CA 1.563 56.428 54.840 0.042 0.000 0.782 105 L CB -0.558 41.524 42.059 0.037 0.000 0.914 105 L HN 0.786 nan 8.230 nan 0.000 0.441 106 E N -1.651 118.590 120.200 0.069 0.000 2.516 106 E HA -0.160 4.190 4.350 -0.001 0.000 0.199 106 E C 0.204 176.898 176.600 0.158 0.000 1.069 106 E CA 0.166 56.633 56.400 0.111 0.000 0.876 106 E CB -0.454 29.304 29.700 0.097 0.000 0.843 106 E HN 0.338 nan 8.360 nan 0.000 0.530 107 D N 1.239 121.689 120.400 0.083 0.000 2.455 107 D HA -0.048 4.592 4.640 -0.001 0.000 0.234 107 D C 0.387 176.704 176.300 0.028 0.000 1.224 107 D CA -0.453 53.553 54.000 0.010 0.000 0.999 107 D CB -0.118 40.661 40.800 -0.036 0.000 1.072 107 D HN 0.313 nan 8.370 nan 0.000 0.514 108 F N 2.112 122.070 119.950 0.014 0.000 2.456 108 F HA 0.123 4.649 4.527 -0.000 0.000 0.298 108 F C 1.571 177.383 175.800 0.020 0.000 1.104 108 F CA 0.040 58.051 58.000 0.018 0.000 1.435 108 F CB -0.546 38.464 39.000 0.016 0.000 1.078 108 F HN 0.184 nan 8.300 nan 0.000 0.546 109 I N 0.359 120.531 120.570 -0.663 0.000 2.233 109 I HA -0.192 3.978 4.170 -0.001 0.000 0.243 109 I C 2.466 178.482 176.117 -0.169 0.000 1.093 109 I CA 0.967 62.003 61.300 -0.440 0.000 1.380 109 I CB -0.502 37.177 38.000 -0.536 0.000 1.067 109 I HN 0.270 nan 8.210 nan 0.000 0.413 110 L N 1.134 122.270 121.223 -0.145 0.000 1.989 110 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 110 L C 2.630 179.494 176.870 -0.010 0.000 1.071 110 L CA 1.891 56.690 54.840 -0.068 0.000 0.749 110 L CB -0.595 41.429 42.059 -0.059 0.000 0.890 110 L HN 0.058 nan 8.230 nan 0.000 0.431 111 R N -0.647 119.865 120.500 0.020 0.000 2.096 111 R HA -0.177 4.163 4.340 -0.001 0.000 0.235 111 R C 2.312 178.670 176.300 0.098 0.000 1.127 111 R CA 1.539 57.681 56.100 0.069 0.000 0.968 111 R CB -0.366 29.988 30.300 0.090 0.000 0.861 111 R HN 0.590 nan 8.270 nan 0.000 0.440 112 E N 1.126 121.387 120.200 0.103 0.000 2.072 112 E HA -0.225 4.125 4.350 -0.001 0.000 0.191 112 E C 1.938 178.616 176.600 0.130 0.000 0.985 112 E CA 1.165 57.642 56.400 0.128 0.000 0.801 112 E CB 0.121 29.901 29.700 0.133 0.000 0.750 112 E HN 0.144 nan 8.360 nan 0.000 0.452 113 K N 0.309 120.755 120.400 0.076 0.000 2.026 113 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 113 K C 2.120 178.796 176.600 0.127 0.000 1.048 113 K CA 1.333 57.664 56.287 0.073 0.000 0.929 113 K CB -0.023 32.478 32.500 0.001 0.000 0.713 113 K HN 0.148 nan 8.250 nan 0.000 0.439 114 I N 1.276 121.904 120.570 0.097 0.000 2.315 114 I HA -0.179 3.991 4.170 -0.001 0.000 0.248 114 I C 2.135 178.380 176.117 0.214 0.000 1.117 114 I CA 1.303 62.684 61.300 0.135 0.000 1.404 114 I CB -1.418 36.624 38.000 0.070 0.000 1.071 114 I HN 0.237 nan 8.210 nan 0.000 0.419 115 T N -0.243 114.426 114.554 0.192 0.000 2.708 115 T HA -0.225 4.124 4.350 -0.001 0.000 0.266 115 T C 1.966 176.835 174.700 0.282 0.000 1.037 115 T CA 1.445 63.687 62.100 0.236 0.000 1.146 115 T CB -0.443 68.555 68.868 0.217 0.000 0.865 115 T HN 0.339 nan 8.240 nan 0.000 0.435 116 H N -0.028 119.152 119.070 0.182 0.000 2.353 116 H HA -0.075 4.480 4.556 -0.001 0.000 0.300 116 H C 2.193 177.604 175.328 0.138 0.000 1.090 116 H CA 1.586 57.725 56.048 0.152 0.000 1.327 116 H CB -0.455 29.370 29.762 0.105 0.000 1.383 116 H HN 0.391 nan 8.280 nan 0.000 0.508 117 F N 2.101 122.130 119.950 0.133 0.000 2.095 117 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 117 F C 2.021 177.788 175.800 -0.054 0.000 1.104 117 F CA 1.810 59.834 58.000 0.040 0.000 1.232 117 F CB -0.378 38.635 39.000 0.022 0.000 0.987 117 F HN 0.067 nan 8.300 nan 0.000 0.475 118 D N -1.073 119.275 120.400 -0.088 0.000 2.221 118 D HA -0.167 4.472 4.640 -0.001 0.000 0.204 118 D C 1.310 177.264 176.300 -0.576 0.000 0.982 118 D CA 1.325 55.112 54.000 -0.354 0.000 0.857 118 D CB -0.426 40.186 40.800 -0.314 0.000 0.934 118 D HN 0.500 nan 8.370 nan 0.000 0.475 119 H N -0.188 118.768 119.070 -0.190 0.000 2.469 119 H HA 0.218 4.774 4.556 -0.000 0.000 0.286 119 H C 0.978 176.147 175.328 -0.265 0.000 1.106 119 H CA -0.069 55.859 56.048 -0.200 0.000 1.055 119 H CB 0.494 30.151 29.762 -0.175 0.000 1.618 119 H HN 0.286 nan 8.280 nan 0.000 0.559 120 E N 0.642 120.691 120.200 -0.253 0.000 2.150 120 E HA -0.045 4.304 4.350 -0.001 0.000 0.193 120 E C 0.540 176.996 176.600 -0.239 0.000 0.985 120 E CA 0.520 56.748 56.400 -0.287 0.000 0.814 120 E CB 0.450 29.960 29.700 -0.316 0.000 0.752 120 E HN 0.174 nan 8.360 nan 0.000 0.466 121 R N 1.176 121.585 120.500 -0.151 0.000 2.459 121 R HA 0.369 4.708 4.340 -0.001 0.000 0.281 121 R C 0.444 176.776 176.300 0.053 0.000 1.050 121 R CA -0.231 55.849 56.100 -0.034 0.000 1.055 121 R CB 0.630 30.900 30.300 -0.049 0.000 1.045 121 R HN 0.159 nan 8.270 nan 0.000 0.495 122 I N -1.281 119.377 120.570 0.147 0.000 2.892 122 I HA 0.578 4.747 4.170 -0.001 0.000 0.306 122 I C -2.305 173.872 176.117 0.099 0.000 1.078 122 I CA -2.944 58.438 61.300 0.137 0.000 1.032 122 I CB 1.970 40.086 38.000 0.192 0.000 1.229 122 I HN 0.249 nan 8.210 nan 0.000 0.435 123 P HA 0.098 nan 4.420 nan 0.000 0.265 123 P C -0.872 176.459 177.300 0.051 0.000 1.193 123 P CA -0.033 63.094 63.100 0.046 0.000 0.765 123 P CB 0.415 32.132 31.700 0.028 0.000 0.823 124 E N 2.660 122.891 120.200 0.053 0.000 2.371 124 E HA 0.208 4.557 4.350 -0.001 0.000 0.257 124 E C -0.464 176.163 176.600 0.045 0.000 1.134 124 E CA -0.870 55.566 56.400 0.061 0.000 0.919 124 E CB 0.636 30.377 29.700 0.067 0.000 1.025 124 E HN 0.256 nan 8.360 nan 0.000 0.438 125 R N 0.730 121.263 120.500 0.055 0.000 2.640 125 R HA 0.000 4.340 4.340 -0.001 0.000 0.270 125 R C 1.098 177.432 176.300 0.056 0.000 1.024 125 R CA -0.076 56.054 56.100 0.050 0.000 1.085 125 R CB 0.189 30.538 30.300 0.081 0.000 0.963 125 R HN 0.634 nan 8.270 nan 0.000 0.426 126 I N 2.951 123.549 120.570 0.045 0.000 2.264 126 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 126 I C 0.353 176.520 176.117 0.083 0.000 1.111 126 I CA 1.371 62.705 61.300 0.057 0.000 1.382 126 I CB 0.396 38.429 38.000 0.056 0.000 1.060 126 I HN 0.408 nan 8.210 nan 0.000 0.418 127 V N -3.541 116.454 119.914 0.135 0.000 3.078 127 V HA 0.467 4.587 4.120 -0.001 0.000 0.311 127 V C 0.097 176.348 176.094 0.263 0.000 1.138 127 V CA -0.811 61.597 62.300 0.179 0.000 1.007 127 V CB 1.457 33.469 31.823 0.315 0.000 1.045 127 V HN 0.369 nan 8.190 nan 0.000 0.432 128 H N 0.407 119.541 119.070 0.106 0.000 2.862 128 H HA -0.220 4.336 4.556 -0.001 0.000 0.290 128 H C 1.532 176.908 175.328 0.080 0.000 1.211 128 H CA 0.820 56.925 56.048 0.094 0.000 1.140 128 H CB -1.174 28.636 29.762 0.079 0.000 1.341 128 H HN 1.178 nan 8.280 nan 0.000 0.392 129 A N 0.737 123.640 122.820 0.139 0.000 2.019 129 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 129 A C 1.694 179.364 177.584 0.143 0.000 1.164 129 A CA 1.253 53.364 52.037 0.123 0.000 0.644 129 A CB -0.069 18.983 19.000 0.087 0.000 0.805 129 A HN 0.266 nan 8.150 nan 0.000 0.449 130 R N 0.218 120.803 120.500 0.140 0.000 2.196 130 R HA 0.511 4.850 4.340 -0.001 0.000 0.340 130 R C -0.121 176.303 176.300 0.207 0.000 1.043 130 R CA 0.717 56.919 56.100 0.170 0.000 0.883 130 R CB 0.239 30.624 30.300 0.141 0.000 1.078 130 R HN 0.297 nan 8.270 nan 0.000 0.462 131 G N 0.866 109.815 108.800 0.248 0.000 2.698 131 G HA2 0.522 4.481 3.960 -0.001 0.000 0.293 131 G HA3 0.522 4.481 3.960 -0.001 0.000 0.293 131 G C -1.593 173.471 174.900 0.272 0.000 1.437 131 G CA -0.604 44.616 45.100 0.200 0.000 0.852 131 G HN 0.489 nan 8.290 nan 0.000 0.499 132 S N -1.010 114.799 115.700 0.182 0.000 2.538 132 S HA 0.883 5.352 4.470 -0.001 0.000 0.288 132 S C -0.136 174.484 174.600 0.033 0.000 1.108 132 S CA -0.175 58.183 58.200 0.264 0.000 0.971 132 S CB 1.734 65.200 63.200 0.443 0.000 1.041 132 S HN 1.510 nan 8.310 nan 0.000 0.483 133 A N 1.575 124.379 122.820 -0.026 0.000 2.479 133 A HA 1.041 5.360 4.320 -0.001 0.000 0.296 133 A C -0.906 176.491 177.584 -0.312 0.000 1.121 133 A CA -0.719 51.093 52.037 -0.375 0.000 0.743 133 A CB 1.608 20.231 19.000 -0.628 0.000 1.323 133 A HN 1.348 nan 8.150 nan 0.000 0.415 134 A N 0.262 122.725 122.820 -0.595 0.000 2.610 134 A HA 0.724 5.043 4.320 -0.001 0.000 0.291 134 A C -1.169 176.196 177.584 -0.364 0.000 1.086 134 A CA -0.646 51.198 52.037 -0.322 0.000 0.677 134 A CB 0.754 19.667 19.000 -0.145 0.000 1.278 134 A HN 0.876 nan 8.150 nan 0.000 0.414 135 H N -0.435 118.647 119.070 0.019 0.000 2.488 135 H HA 0.708 5.264 4.556 -0.001 0.000 0.347 135 H C 0.576 175.904 175.328 0.000 0.000 1.174 135 H CA 0.799 56.918 56.048 0.118 0.000 1.307 135 H CB 1.873 31.711 29.762 0.126 0.000 1.517 135 H HN 1.163 nan 8.280 nan 0.000 0.554 136 G N 0.508 109.415 108.800 0.178 0.000 2.500 136 G HA2 0.367 4.327 3.960 -0.001 0.000 0.299 136 G HA3 0.367 4.327 3.960 -0.001 0.000 0.299 136 G C -2.056 172.983 174.900 0.232 0.000 1.242 136 G CA -0.680 44.486 45.100 0.110 0.000 0.859 136 G HN 0.625 nan 8.290 nan 0.000 0.481 137 Y N -1.816 118.522 120.300 0.063 0.000 2.597 137 Y HA 0.840 5.390 4.550 -0.001 0.000 0.340 137 Y C -1.631 174.406 175.900 0.230 0.000 1.097 137 Y CA -1.851 56.331 58.100 0.136 0.000 1.037 137 Y CB 1.960 40.473 38.460 0.088 0.000 1.305 137 Y HN 0.828 nan 8.280 nan 0.000 0.463 138 F N 2.728 122.817 119.950 0.231 0.000 2.588 138 F HA 0.705 5.232 4.527 -0.001 0.000 0.314 138 F C -1.522 174.459 175.800 0.301 0.000 1.069 138 F CA -0.590 57.544 58.000 0.223 0.000 0.931 138 F CB 2.286 41.542 39.000 0.427 0.000 1.260 138 F HN 0.801 nan 8.300 nan 0.000 0.465 139 Q N 4.748 123.972 119.800 -0.961 0.000 2.386 139 Q HA 0.522 4.862 4.340 -0.001 0.000 0.274 139 Q C -3.338 172.016 176.000 -1.078 0.000 1.011 139 Q CA -2.219 53.158 55.803 -0.711 0.000 0.867 139 Q CB 2.649 31.297 28.738 -0.150 0.000 1.409 139 Q HN 0.329 nan 8.270 nan 0.000 0.395 140 P HA 0.061 nan 4.420 nan 0.000 0.274 140 P C -0.422 176.728 177.300 -0.250 0.000 1.231 140 P CA -0.107 62.738 63.100 -0.425 0.000 0.790 140 P CB 0.657 32.275 31.700 -0.138 0.000 0.951 141 Y N 0.896 121.130 120.300 -0.109 0.000 2.286 141 Y HA -0.061 4.489 4.550 -0.001 0.000 0.293 141 Y C 1.476 177.346 175.900 -0.050 0.000 1.124 141 Y CA 0.594 58.654 58.100 -0.068 0.000 1.178 141 Y CB 0.207 38.637 38.460 -0.051 0.000 1.010 141 Y HN 0.370 nan 8.280 nan 0.000 0.536 142 K N -1.252 119.204 120.400 0.094 0.000 2.548 142 K HA 0.411 4.731 4.320 -0.001 0.000 0.282 142 K C -0.914 175.687 176.600 0.003 0.000 1.006 142 K CA -0.966 55.347 56.287 0.043 0.000 0.892 142 K CB 1.523 34.050 32.500 0.044 0.000 1.499 142 K HN -0.259 nan 8.250 nan 0.000 0.433 143 S N 0.640 116.339 115.700 -0.001 0.000 2.549 143 S HA 0.155 4.625 4.470 -0.001 0.000 0.286 143 S C 0.331 174.918 174.600 -0.022 0.000 1.314 143 S CA -0.594 57.596 58.200 -0.016 0.000 1.062 143 S CB -0.171 63.024 63.200 -0.009 0.000 0.865 143 S HN 0.548 nan 8.310 nan 0.000 0.498 144 L N 4.673 125.872 121.223 -0.039 0.000 3.017 144 L HA 0.153 4.493 4.340 -0.001 0.000 0.255 144 L C 1.962 178.814 176.870 -0.029 0.000 1.247 144 L CA -0.078 54.746 54.840 -0.028 0.000 1.038 144 L CB -0.104 41.939 42.059 -0.025 0.000 1.380 144 L HN 0.842 nan 8.230 nan 0.000 0.548 145 S N -1.767 113.914 115.700 -0.031 0.000 2.440 145 S HA -0.180 4.289 4.470 -0.001 0.000 0.238 145 S C 1.237 175.821 174.600 -0.028 0.000 1.010 145 S CA 1.122 59.303 58.200 -0.032 0.000 0.972 145 S CB -0.153 63.033 63.200 -0.024 0.000 0.774 145 S HN 0.394 nan 8.310 nan 0.000 0.501 146 D N 1.981 122.369 120.400 -0.019 0.000 2.269 146 D HA 0.040 4.680 4.640 -0.001 0.000 0.208 146 D C 1.809 178.094 176.300 -0.025 0.000 0.963 146 D CA 1.308 55.297 54.000 -0.018 0.000 0.864 146 D CB -0.179 40.615 40.800 -0.009 0.000 0.936 146 D HN 0.801 nan 8.370 nan 0.000 0.505 147 I N -4.013 116.543 120.570 -0.023 0.000 4.139 147 I HA 0.221 4.391 4.170 -0.001 0.000 0.320 147 I C 0.479 176.559 176.117 -0.061 0.000 1.290 147 I CA 0.027 61.306 61.300 -0.035 0.000 1.253 147 I CB 1.087 39.086 38.000 -0.002 0.000 1.122 147 I HN -0.243 nan 8.210 nan 0.000 0.421 148 T N 1.517 116.037 114.554 -0.056 0.000 2.982 148 T HA 0.325 4.675 4.350 -0.001 0.000 0.321 148 T C -0.095 174.556 174.700 -0.081 0.000 1.229 148 T CA -0.716 61.333 62.100 -0.085 0.000 1.044 148 T CB 1.820 70.629 68.868 -0.098 0.000 1.184 148 T HN 0.413 nan 8.240 nan 0.000 0.477 149 K N 2.324 122.674 120.400 -0.083 0.000 2.417 149 K HA 0.566 4.885 4.320 -0.001 0.000 0.196 149 K C 0.750 177.313 176.600 -0.061 0.000 1.023 149 K CA -0.351 55.898 56.287 -0.063 0.000 1.122 149 K CB 0.217 32.685 32.500 -0.053 0.000 0.850 149 K HN 0.506 nan 8.250 nan 0.000 0.521 150 A N 2.134 124.895 122.820 -0.098 0.000 2.548 150 A HA -0.062 4.258 4.320 -0.001 0.000 0.247 150 A C 0.560 178.105 177.584 -0.064 0.000 1.067 150 A CA 0.088 52.076 52.037 -0.081 0.000 0.757 150 A CB 0.090 18.982 19.000 -0.181 0.000 0.996 150 A HN 0.452 nan 8.150 nan 0.000 0.504 151 D N 1.934 122.370 120.400 0.060 0.000 2.144 151 D HA -0.219 4.421 4.640 -0.001 0.000 0.199 151 D C 1.342 177.715 176.300 0.121 0.000 0.984 151 D CA 2.213 56.264 54.000 0.085 0.000 0.834 151 D CB -0.224 40.649 40.800 0.122 0.000 0.955 151 D HN 0.735 nan 8.370 nan 0.000 0.465 152 F N -0.736 119.235 119.950 0.036 0.000 2.604 152 F HA 0.174 4.700 4.527 -0.001 0.000 0.298 152 F C 1.047 176.943 175.800 0.160 0.000 1.131 152 F CA 0.386 58.451 58.000 0.108 0.000 1.457 152 F CB -0.185 38.870 39.000 0.091 0.000 1.095 152 F HN -0.055 nan 8.300 nan 0.000 0.574 153 L N 0.652 121.578 121.223 -0.495 0.000 2.857 153 L HA 0.191 4.530 4.340 -0.001 0.000 0.249 153 L C 1.941 178.718 176.870 -0.154 0.000 1.172 153 L CA 0.390 55.006 54.840 -0.373 0.000 0.980 153 L CB -0.027 41.687 42.059 -0.574 0.000 1.299 153 L HN 0.326 nan 8.230 nan 0.000 0.535 154 S N -2.465 113.186 115.700 -0.082 0.000 2.501 154 S HA 0.036 4.506 4.470 -0.001 0.000 0.220 154 S C 0.456 175.051 174.600 -0.009 0.000 0.997 154 S CA -0.059 58.119 58.200 -0.037 0.000 0.919 154 S CB 0.201 63.393 63.200 -0.014 0.000 0.778 154 S HN 0.312 nan 8.310 nan 0.000 0.523 155 D N 0.909 121.313 120.400 0.008 0.000 2.890 155 D HA 0.363 5.003 4.640 -0.001 0.000 0.233 155 D C -2.442 173.868 176.300 0.017 0.000 1.306 155 D CA -2.046 51.965 54.000 0.017 0.000 0.929 155 D CB 2.252 43.071 40.800 0.032 0.000 1.512 155 D HN -0.154 nan 8.370 nan 0.000 0.568 156 P HA -0.055 nan 4.420 nan 0.000 0.221 156 P C 0.355 177.666 177.300 0.018 0.000 1.145 156 P CA 0.769 63.875 63.100 0.009 0.000 0.795 156 P CB 0.431 32.149 31.700 0.029 0.000 0.775 157 N N -0.563 118.154 118.700 0.028 0.000 2.238 157 N HA 0.056 4.795 4.740 -0.001 0.000 0.222 157 N C 0.208 175.744 175.510 0.044 0.000 1.133 157 N CA 0.019 53.089 53.050 0.033 0.000 0.854 157 N CB 0.685 39.189 38.487 0.028 0.000 1.041 157 N HN 0.224 nan 8.380 nan 0.000 0.510 158 K N 1.472 121.907 120.400 0.059 0.000 2.316 158 K HA 0.406 4.725 4.320 -0.001 0.000 0.267 158 K C -0.494 176.186 176.600 0.133 0.000 1.025 158 K CA -0.315 56.026 56.287 0.090 0.000 0.896 158 K CB 0.919 33.478 32.500 0.098 0.000 1.124 158 K HN -0.053 nan 8.250 nan 0.000 0.451 159 I N 2.904 123.556 120.570 0.137 0.000 2.440 159 I HA 0.188 4.358 4.170 -0.001 0.000 0.294 159 I C -0.096 176.185 176.117 0.273 0.000 0.995 159 I CA -0.459 60.962 61.300 0.201 0.000 1.306 159 I CB 1.958 40.034 38.000 0.127 0.000 1.407 159 I HN 0.541 nan 8.210 nan 0.000 0.501 160 T N 6.589 121.389 114.554 0.410 0.000 2.809 160 T HA 0.347 4.697 4.350 -0.001 0.000 0.284 160 T C -2.517 172.439 174.700 0.427 0.000 0.992 160 T CA -1.374 60.989 62.100 0.439 0.000 0.957 160 T CB 1.611 70.844 68.868 0.609 0.000 0.942 160 T HN 0.256 nan 8.240 nan 0.000 0.439 161 P HA 0.245 nan 4.420 nan 0.000 0.268 161 P C -0.519 177.019 177.300 0.396 0.000 1.205 161 P CA -0.383 62.907 63.100 0.316 0.000 0.771 161 P CB 0.489 32.296 31.700 0.177 0.000 0.858 162 V N 0.312 120.401 119.914 0.291 0.000 3.074 162 V HA 0.749 4.868 4.120 -0.001 0.000 0.314 162 V C -1.252 175.006 176.094 0.274 0.000 1.117 162 V CA -1.003 61.380 62.300 0.139 0.000 1.014 162 V CB 2.250 33.944 31.823 -0.214 0.000 1.057 162 V HN 0.326 nan 8.190 nan 0.000 0.438 163 F N 1.881 121.825 119.950 -0.009 0.000 2.536 163 F HA 0.835 5.361 4.527 -0.001 0.000 0.322 163 F C -0.900 174.809 175.800 -0.152 0.000 1.144 163 F CA -0.697 57.243 58.000 -0.100 0.000 0.924 163 F CB 1.931 40.893 39.000 -0.065 0.000 1.181 163 F HN 0.527 nan 8.300 nan 0.000 0.438 164 V N 6.496 125.951 119.914 -0.765 0.000 2.555 164 V HA 0.602 4.722 4.120 -0.001 0.000 0.302 164 V C -0.713 174.735 176.094 -1.078 0.000 1.038 164 V CA -0.862 60.929 62.300 -0.849 0.000 0.887 164 V CB 2.021 33.280 31.823 -0.940 0.000 0.991 164 V HN 0.747 nan 8.190 nan 0.000 0.434 165 R N 3.186 123.054 120.500 -1.053 0.000 2.513 165 R HA 0.628 4.967 4.340 -0.001 0.000 0.301 165 R C -1.763 173.942 176.300 -0.992 0.000 0.968 165 R CA -0.439 55.137 56.100 -0.874 0.000 0.872 165 R CB 1.289 31.278 30.300 -0.518 0.000 1.177 165 R HN 0.551 nan 8.270 nan 0.000 0.444 166 F N 1.969 121.521 119.950 -0.663 0.000 2.425 166 F HA 0.550 5.077 4.527 -0.000 0.000 0.331 166 F C 0.516 175.990 175.800 -0.543 0.000 1.085 166 F CA -0.234 57.262 58.000 -0.840 0.000 1.028 166 F CB 2.164 40.168 39.000 -1.660 0.000 1.177 166 F HN 0.638 nan 8.300 nan 0.000 0.487 167 S N -0.858 114.792 115.700 -0.084 0.000 2.672 167 S HA 0.728 5.197 4.470 -0.001 0.000 0.271 167 S C -0.721 174.024 174.600 0.242 0.000 1.171 167 S CA -0.885 57.399 58.200 0.141 0.000 0.817 167 S CB 1.484 64.812 63.200 0.213 0.000 1.150 167 S HN 0.694 nan 8.310 nan 0.000 0.478 168 T N -1.711 112.963 114.554 0.200 0.000 2.910 168 T HA 0.714 5.064 4.350 -0.001 0.000 0.279 168 T C 0.825 175.459 174.700 -0.109 0.000 0.989 168 T CA -0.415 61.760 62.100 0.125 0.000 0.968 168 T CB 0.832 69.781 68.868 0.135 0.000 1.135 168 T HN 0.528 nan 8.240 nan 0.000 0.562 169 V N 0.229 120.044 119.914 -0.165 0.000 2.627 169 V HA 0.061 4.180 4.120 -0.001 0.000 0.239 169 V C 2.826 178.823 176.094 -0.162 0.000 1.077 169 V CA 0.909 62.990 62.300 -0.364 0.000 1.103 169 V CB -0.640 31.104 31.823 -0.132 0.000 0.802 169 V HN 0.956 nan 8.190 nan 0.000 0.482 170 Q N 0.633 120.380 119.800 -0.089 0.000 2.089 170 Q HA 0.088 4.428 4.340 -0.001 0.000 0.195 170 Q C 1.361 177.328 176.000 -0.054 0.000 0.963 170 Q CA 1.032 56.785 55.803 -0.083 0.000 0.834 170 Q CB -0.158 28.515 28.738 -0.108 0.000 0.906 170 Q HN 0.609 nan 8.270 nan 0.000 0.452 171 G N 0.071 108.854 108.800 -0.030 0.000 2.594 171 G HA2 0.353 4.312 3.960 -0.001 0.000 0.243 171 G HA3 0.353 4.312 3.960 -0.001 0.000 0.243 171 G C 0.146 175.048 174.900 0.003 0.000 1.229 171 G CA -0.002 45.088 45.100 -0.017 0.000 0.843 171 G HN 0.366 nan 8.290 nan 0.000 0.578 172 G N -0.999 107.800 108.800 -0.001 0.000 2.621 172 G HA2 0.481 4.441 3.960 -0.001 0.000 0.271 172 G HA3 0.481 4.441 3.960 -0.001 0.000 0.271 172 G C 1.330 176.256 174.900 0.043 0.000 1.236 172 G CA 0.414 45.524 45.100 0.016 0.000 0.958 172 G HN 1.082 nan 8.290 nan 0.000 0.512 173 A N -0.907 121.949 122.820 0.061 0.000 2.070 173 A HA 0.145 4.464 4.320 -0.001 0.000 0.220 173 A C 2.159 179.780 177.584 0.061 0.000 1.159 173 A CA 1.927 54.018 52.037 0.092 0.000 0.656 173 A CB -0.339 18.734 19.000 0.121 0.000 0.800 173 A HN 1.118 nan 8.150 nan 0.000 0.453 174 G N -0.164 108.653 108.800 0.028 0.000 3.434 174 G HA2 0.350 4.310 3.960 -0.001 0.000 0.258 174 G HA3 0.350 4.310 3.960 -0.001 0.000 0.258 174 G C 0.643 175.542 174.900 -0.002 0.000 1.128 174 G CA 0.640 45.742 45.100 0.003 0.000 0.792 174 G HN 0.634 nan 8.290 nan 0.000 0.539 175 S N -0.225 115.482 115.700 0.012 0.000 2.661 175 S HA 0.757 5.226 4.470 -0.001 0.000 0.265 175 S C 0.454 175.063 174.600 0.015 0.000 1.225 175 S CA -0.107 58.096 58.200 0.004 0.000 0.986 175 S CB 1.573 64.776 63.200 0.005 0.000 1.008 175 S HN 0.554 nan 8.310 nan 0.000 0.565 176 A N 0.095 122.918 122.820 0.006 0.000 2.302 176 A HA 0.448 4.768 4.320 -0.001 0.000 0.285 176 A C 0.566 178.167 177.584 0.027 0.000 1.105 176 A CA -0.603 51.435 52.037 0.002 0.000 0.816 176 A CB -0.044 18.939 19.000 -0.029 0.000 1.067 176 A HN 0.849 nan 8.150 nan 0.000 0.489 177 D N 0.521 120.927 120.400 0.010 0.000 2.120 177 D HA -0.066 4.573 4.640 -0.001 0.000 0.202 177 D C 1.583 177.859 176.300 -0.040 0.000 0.972 177 D CA 2.266 56.282 54.000 0.027 0.000 0.837 177 D CB -0.234 40.533 40.800 -0.055 0.000 0.989 177 D HN 0.675 nan 8.370 nan 0.000 0.469 178 T N -0.089 114.364 114.554 -0.169 0.000 3.327 178 T HA 0.302 4.652 4.350 -0.001 0.000 0.241 178 T C 0.795 175.476 174.700 -0.033 0.000 0.907 178 T CA -0.586 61.415 62.100 -0.165 0.000 0.931 178 T CB -0.954 67.733 68.868 -0.303 0.000 1.112 178 T HN -0.085 nan 8.240 nan 0.000 0.589 179 V N -1.298 118.647 119.914 0.052 0.000 3.264 179 V HA 0.467 4.587 4.120 -0.001 0.000 0.304 179 V C 0.693 176.914 176.094 0.213 0.000 1.086 179 V CA -1.461 60.912 62.300 0.122 0.000 1.090 179 V CB 0.503 32.390 31.823 0.107 0.000 1.112 179 V HN 0.550 nan 8.190 nan 0.000 0.472 180 R N 1.987 122.666 120.500 0.299 0.000 2.196 180 R HA 0.464 4.803 4.340 -0.001 0.000 0.340 180 R C -0.719 175.670 176.300 0.149 0.000 1.043 180 R CA -0.208 56.045 56.100 0.254 0.000 0.883 180 R CB 0.259 30.685 30.300 0.210 0.000 1.078 180 R HN 0.920 nan 8.270 nan 0.000 0.462 181 Q N 3.594 123.489 119.800 0.159 0.000 2.633 181 Q HA 0.250 4.590 4.340 -0.001 0.000 0.289 181 Q C -0.647 175.466 176.000 0.189 0.000 0.940 181 Q CA -0.871 55.015 55.803 0.138 0.000 0.785 181 Q CB 1.498 30.305 28.738 0.115 0.000 1.467 181 Q HN 0.515 nan 8.270 nan 0.000 0.401 182 I N 1.603 122.303 120.570 0.217 0.000 2.813 182 I HA 0.104 4.273 4.170 -0.001 0.000 0.287 182 I C 0.570 176.830 176.117 0.239 0.000 1.196 182 I CA 0.280 61.715 61.300 0.225 0.000 1.421 182 I CB -0.143 38.013 38.000 0.260 0.000 1.365 182 I HN 0.272 nan 8.210 nan 0.000 0.591 183 R N 3.326 123.985 120.500 0.265 0.000 2.589 183 R HA 0.572 4.912 4.340 -0.001 0.000 0.293 183 R C 0.008 176.501 176.300 0.323 0.000 0.963 183 R CA -0.744 55.531 56.100 0.292 0.000 0.905 183 R CB 1.542 32.027 30.300 0.309 0.000 1.144 183 R HN 0.808 nan 8.270 nan 0.000 0.459 184 G N 0.895 109.905 108.800 0.350 0.000 2.448 184 G HA2 0.481 4.440 3.960 -0.001 0.000 0.285 184 G HA3 0.481 4.440 3.960 -0.001 0.000 0.285 184 G C -1.277 173.698 174.900 0.126 0.000 1.176 184 G CA -0.064 45.194 45.100 0.263 0.000 0.852 184 G HN 0.359 nan 8.290 nan 0.000 0.530 185 F N 1.748 121.594 119.950 -0.172 0.000 3.090 185 F HA 0.633 5.159 4.527 -0.001 0.000 0.381 185 F C -0.221 175.280 175.800 -0.498 0.000 1.231 185 F CA -1.840 55.958 58.000 -0.336 0.000 1.177 185 F CB 0.941 39.861 39.000 -0.134 0.000 1.598 185 F HN 0.662 nan 8.300 nan 0.000 0.589 186 A N 3.293 125.835 122.820 -0.464 0.000 2.304 186 A HA 0.795 5.115 4.320 -0.001 0.000 0.323 186 A C -0.557 176.586 177.584 -0.735 0.000 1.195 186 A CA -0.417 51.187 52.037 -0.722 0.000 0.826 186 A CB 0.822 19.034 19.000 -1.315 0.000 1.184 186 A HN 0.534 nan 8.150 nan 0.000 0.496 187 T N 2.287 116.578 114.554 -0.438 0.000 2.812 187 T HA 0.401 4.750 4.350 -0.001 0.000 0.282 187 T C -0.403 174.130 174.700 -0.279 0.000 0.990 187 T CA -0.494 61.366 62.100 -0.400 0.000 0.960 187 T CB 1.114 69.682 68.868 -0.500 0.000 0.948 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.509 123.811 120.400 -0.164 0.000 2.263 188 K HA 0.467 4.786 4.320 -0.001 0.000 0.272 188 K C -1.300 174.989 176.600 -0.518 0.000 1.033 188 K CA -0.591 55.509 56.287 -0.312 0.000 0.884 188 K CB 0.375 32.629 32.500 -0.410 0.000 1.107 188 K HN 0.386 nan 8.250 nan 0.000 0.460 189 F N 4.051 123.713 119.950 -0.479 0.000 2.405 189 F HA 0.245 4.772 4.527 -0.001 0.000 0.355 189 F C -0.373 175.228 175.800 -0.332 0.000 1.121 189 F CA -0.568 57.223 58.000 -0.348 0.000 1.112 189 F CB 0.759 39.469 39.000 -0.483 0.000 1.126 189 F HN 0.438 nan 8.300 nan 0.000 0.481 190 Y N 1.825 122.187 120.300 0.103 0.000 2.714 190 Y HA 0.219 4.768 4.550 -0.001 0.000 0.333 190 Y C 1.031 176.990 175.900 0.097 0.000 1.220 190 Y CA -0.857 57.284 58.100 0.068 0.000 1.513 190 Y CB -0.192 38.297 38.460 0.049 0.000 1.435 190 Y HN 0.559 nan 8.280 nan 0.000 0.489 191 T N -2.461 112.190 114.554 0.161 0.000 2.816 191 T HA 0.146 4.496 4.350 -0.001 0.000 0.282 191 T C 1.032 175.825 174.700 0.154 0.000 0.993 191 T CA -0.664 61.536 62.100 0.166 0.000 0.994 191 T CB 1.046 69.987 68.868 0.122 0.000 1.025 191 T HN 0.643 nan 8.240 nan 0.000 0.529 192 E N 0.013 120.308 120.200 0.159 0.000 2.418 192 E HA -0.043 4.307 4.350 -0.001 0.000 0.197 192 E C 1.066 177.731 176.600 0.109 0.000 1.026 192 E CA 0.701 57.177 56.400 0.126 0.000 0.862 192 E CB 0.137 29.908 29.700 0.119 0.000 0.799 192 E HN 0.727 nan 8.360 nan 0.000 0.518 193 E N 0.072 120.339 120.200 0.111 0.000 2.624 193 E HA 0.252 4.601 4.350 -0.001 0.000 0.210 193 E C 0.090 176.737 176.600 0.080 0.000 0.997 193 E CA -0.225 56.233 56.400 0.097 0.000 0.999 193 E CB 1.351 31.112 29.700 0.102 0.000 1.040 193 E HN 0.170 nan 8.360 nan 0.000 0.469 194 G N 1.185 110.026 108.800 0.069 0.000 2.406 194 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.680 194 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.680 194 G C -0.800 174.105 174.900 0.009 0.000 1.338 194 G CA -1.112 44.005 45.100 0.028 0.000 0.941 194 G HN 0.075 nan 8.290 nan 0.000 0.633 195 I N 0.751 121.290 120.570 -0.052 0.000 2.496 195 I HA 0.356 4.526 4.170 -0.001 0.000 0.285 195 I C 0.018 176.131 176.117 -0.008 0.000 1.080 195 I CA -0.113 61.127 61.300 -0.099 0.000 1.404 195 I CB 0.820 38.691 38.000 -0.216 0.000 1.403 195 I HN 0.439 nan 8.210 nan 0.000 0.539 196 F N 6.869 126.703 119.950 -0.193 0.000 2.426 196 F HA 0.436 4.963 4.527 -0.001 0.000 0.348 196 F C -0.723 175.027 175.800 -0.082 0.000 1.124 196 F CA -1.239 56.640 58.000 -0.203 0.000 1.008 196 F CB 0.743 39.446 39.000 -0.495 0.000 1.139 196 F HN 0.328 nan 8.300 nan 0.000 0.452 197 D N 6.933 127.113 120.400 -0.366 0.000 2.303 197 D HA 0.255 4.895 4.640 -0.001 0.000 0.236 197 D C -0.676 175.161 176.300 -0.771 0.000 1.068 197 D CA -0.021 53.715 54.000 -0.441 0.000 0.830 197 D CB 2.397 43.142 40.800 -0.091 0.000 1.109 197 D HN 0.635 nan 8.370 nan 0.000 0.496 198 L N 3.201 123.944 121.223 -0.799 0.000 2.287 198 L HA 0.277 4.617 4.340 -0.001 0.000 0.280 198 L C -0.962 175.699 176.870 -0.348 0.000 1.055 198 L CA -0.628 53.823 54.840 -0.648 0.000 0.863 198 L CB 0.605 42.311 42.059 -0.589 0.000 1.245 198 L HN 0.059 nan 8.230 nan 0.000 0.432 199 V N 5.176 124.921 119.914 -0.282 0.000 2.270 199 V HA 0.493 4.613 4.120 -0.001 0.000 0.263 199 V C 0.832 176.825 176.094 -0.169 0.000 1.066 199 V CA -0.302 61.839 62.300 -0.265 0.000 0.857 199 V CB 0.420 32.056 31.823 -0.310 0.000 1.099 199 V HN 0.797 nan 8.190 nan 0.000 0.476 200 G N 3.267 111.983 108.800 -0.140 0.000 2.932 200 G HA2 0.661 4.621 3.960 -0.001 0.000 0.283 200 G HA3 0.661 4.621 3.960 -0.001 0.000 0.283 200 G C -0.840 174.070 174.900 0.018 0.000 1.336 200 G CA -0.620 44.448 45.100 -0.055 0.000 1.056 200 G HN 0.479 nan 8.290 nan 0.000 0.522 201 N N -0.964 117.794 118.700 0.097 0.000 2.966 201 N HA 0.241 4.980 4.740 -0.001 0.000 0.314 201 N C 0.282 175.959 175.510 0.279 0.000 1.397 201 N CA -0.735 52.434 53.050 0.197 0.000 0.776 201 N CB 1.248 39.853 38.487 0.197 0.000 1.576 201 N HN 0.538 nan 8.380 nan 0.000 0.592 202 N N -1.182 117.701 118.700 0.306 0.000 2.268 202 N HA 0.001 4.741 4.740 -0.001 0.000 0.204 202 N C -0.637 175.112 175.510 0.398 0.000 1.124 202 N CA -0.097 53.185 53.050 0.387 0.000 0.838 202 N CB -0.164 38.532 38.487 0.349 0.000 0.994 202 N HN 0.539 nan 8.380 nan 0.000 0.489 203 T N -3.641 110.971 114.554 0.097 0.000 2.909 203 T HA 0.432 4.782 4.350 -0.001 0.000 0.299 203 T C -2.630 171.457 174.700 -1.021 0.000 1.073 203 T CA -1.525 60.200 62.100 -0.625 0.000 0.999 203 T CB 2.937 71.324 68.868 -0.800 0.000 1.098 203 T HN -0.250 nan 8.240 nan 0.000 0.477 204 P HA 0.170 nan 4.420 nan 0.000 0.245 204 P C 0.401 177.178 177.300 -0.873 0.000 1.212 204 P CA 0.149 62.328 63.100 -1.536 0.000 0.774 204 P CB -0.073 30.654 31.700 -1.622 0.000 0.999 205 I N -4.546 115.489 120.570 -0.893 0.000 3.174 205 I HA 0.530 4.700 4.170 -0.001 0.000 0.313 205 I C -1.211 174.626 176.117 -0.468 0.000 1.155 205 I CA -2.093 58.837 61.300 -0.617 0.000 0.977 205 I CB 1.355 38.955 38.000 -0.667 0.000 1.248 205 I HN -0.252 nan 8.210 nan 0.000 0.453 206 F N 0.969 120.643 119.950 -0.460 0.000 2.518 206 F HA 0.498 5.025 4.527 -0.000 0.000 0.338 206 F C 0.475 176.047 175.800 -0.380 0.000 1.065 206 F CA -0.689 57.081 58.000 -0.383 0.000 1.012 206 F CB 1.747 40.641 39.000 -0.177 0.000 1.297 206 F HN 0.399 nan 8.300 nan 0.000 0.489 207 F N 1.892 121.153 119.950 -1.149 0.000 2.367 207 F HA 0.068 4.595 4.527 -0.001 0.000 0.298 207 F C 0.584 176.112 175.800 -0.455 0.000 1.094 207 F CA 0.660 58.141 58.000 -0.866 0.000 1.409 207 F CB -0.056 38.028 39.000 -1.527 0.000 1.064 207 F HN 0.129 nan 8.300 nan 0.000 0.528 208 I N -3.560 116.997 120.570 -0.020 0.000 3.002 208 I HA 0.385 4.554 4.170 -0.001 0.000 0.310 208 I C 0.389 176.641 176.117 0.225 0.000 1.087 208 I CA -0.837 60.545 61.300 0.137 0.000 1.017 208 I CB 1.794 39.918 38.000 0.207 0.000 1.226 208 I HN -0.191 nan 8.210 nan 0.000 0.443 209 Q N 0.118 120.054 119.800 0.227 0.000 2.324 209 Q HA 0.151 4.491 4.340 -0.001 0.000 0.207 209 Q C -0.323 175.841 176.000 0.275 0.000 0.928 209 Q CA 0.565 56.539 55.803 0.284 0.000 0.890 209 Q CB 0.545 29.513 28.738 0.383 0.000 1.001 209 Q HN 0.651 nan 8.270 nan 0.000 0.517 210 D N -1.088 119.447 120.400 0.225 0.000 2.498 210 D HA 0.303 4.943 4.640 -0.001 0.000 0.247 210 D C 0.027 176.446 176.300 0.198 0.000 1.070 210 D CA -0.208 53.898 54.000 0.177 0.000 0.842 210 D CB 1.864 42.745 40.800 0.136 0.000 1.361 210 D HN 0.057 nan 8.370 nan 0.000 0.484 211 A N 3.362 126.271 122.820 0.147 0.000 2.076 211 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 211 A C 1.779 179.479 177.584 0.194 0.000 1.160 211 A CA 1.647 53.769 52.037 0.141 0.000 0.653 211 A CB -0.749 18.279 19.000 0.046 0.000 0.801 211 A HN 0.808 nan 8.150 nan 0.000 0.455 212 H N 0.165 119.293 119.070 0.096 0.000 2.457 212 H HA -0.029 4.527 4.556 -0.001 0.000 0.297 212 H C 1.559 176.964 175.328 0.129 0.000 1.092 212 H CA 1.886 57.986 56.048 0.086 0.000 1.309 212 H CB 0.086 29.876 29.762 0.047 0.000 1.382 212 H HN 0.394 nan 8.280 nan 0.000 0.535 213 K N -0.550 119.967 120.400 0.195 0.000 2.444 213 K HA -0.052 4.268 4.320 -0.001 0.000 0.193 213 K C 1.463 178.194 176.600 0.219 0.000 1.024 213 K CA 0.044 56.446 56.287 0.191 0.000 1.077 213 K CB 0.012 32.681 32.500 0.282 0.000 0.833 213 K HN 0.305 nan 8.250 nan 0.000 0.517 214 F N 2.994 122.993 119.950 0.081 0.000 2.095 214 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 214 F C -0.984 174.827 175.800 0.019 0.000 1.104 214 F CA 1.363 59.434 58.000 0.117 0.000 1.232 214 F CB -0.491 38.572 39.000 0.105 0.000 0.987 214 F HN 0.025 nan 8.300 nan 0.000 0.475 215 P HA -0.143 nan 4.420 nan 0.000 0.217 215 P C 1.046 178.045 177.300 -0.502 0.000 1.150 215 P CA 1.780 64.656 63.100 -0.374 0.000 0.832 215 P CB -0.063 31.431 31.700 -0.343 0.000 0.787 216 D N -1.243 119.005 120.400 -0.253 0.000 2.084 216 D HA -0.157 4.482 4.640 -0.001 0.000 0.196 216 D C 1.836 177.893 176.300 -0.404 0.000 0.985 216 D CA 1.035 54.934 54.000 -0.168 0.000 0.826 216 D CB -0.892 39.975 40.800 0.112 0.000 0.978 216 D HN 0.142 nan 8.370 nan 0.000 0.456 217 F N 1.915 121.465 119.950 -0.666 0.000 2.069 217 F HA -0.247 4.279 4.527 -0.001 0.000 0.298 217 F C 2.289 177.708 175.800 -0.636 0.000 1.113 217 F CA 1.241 58.642 58.000 -0.998 0.000 1.214 217 F CB -0.231 38.392 39.000 -0.627 0.000 0.978 217 F HN -0.242 nan 8.300 nan 0.000 0.474 218 V N 0.311 119.837 119.914 -0.647 0.000 2.343 218 V HA -0.349 3.771 4.120 -0.001 0.000 0.247 218 V C 2.288 178.185 176.094 -0.329 0.000 1.051 218 V CA 2.443 64.395 62.300 -0.579 0.000 1.036 218 V CB -1.109 30.384 31.823 -0.550 0.000 0.654 218 V HN 0.488 nan 8.190 nan 0.000 0.451 219 H N -0.256 118.600 119.070 -0.357 0.000 2.387 219 H HA -0.127 4.429 4.556 -0.001 0.000 0.299 219 H C 2.329 177.526 175.328 -0.220 0.000 1.090 219 H CA 1.077 56.993 56.048 -0.220 0.000 1.332 219 H CB 0.058 29.738 29.762 -0.137 0.000 1.386 219 H HN 0.492 nan 8.280 nan 0.000 0.516 220 A N 0.398 123.076 122.820 -0.237 0.000 1.930 220 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 220 A C 2.484 179.929 177.584 -0.232 0.000 1.175 220 A CA 1.233 53.124 52.037 -0.243 0.000 0.627 220 A CB -0.634 18.110 19.000 -0.426 0.000 0.815 220 A HN 0.294 nan 8.150 nan 0.000 0.443 221 V N -0.133 119.511 119.914 -0.450 0.000 2.788 221 V HA -0.002 4.117 4.120 -0.001 0.000 0.251 221 V C 0.896 176.953 176.094 -0.063 0.000 1.068 221 V CA 0.812 62.915 62.300 -0.328 0.000 1.090 221 V CB -0.464 30.953 31.823 -0.676 0.000 0.710 221 V HN 0.344 nan 8.190 nan 0.000 0.467 222 K N 1.079 121.413 120.400 -0.109 0.000 2.132 222 K HA 0.238 4.557 4.320 -0.001 0.000 0.240 222 K C -2.309 174.241 176.600 -0.084 0.000 1.036 222 K CA -1.681 54.553 56.287 -0.089 0.000 0.888 222 K CB -0.460 31.979 32.500 -0.102 0.000 1.071 222 K HN 0.138 nan 8.250 nan 0.000 0.502 223 P HA -0.036 nan 4.420 nan 0.000 0.264 223 P C -0.557 176.682 177.300 -0.102 0.000 1.183 223 P CA 0.479 63.444 63.100 -0.224 0.000 0.763 223 P CB 0.264 31.843 31.700 -0.203 0.000 0.807 224 E N 5.578 125.761 120.200 -0.027 0.000 2.413 224 E HA -0.030 4.320 4.350 -0.001 0.000 0.263 224 E C -1.192 175.481 176.600 0.122 0.000 1.015 224 E CA -1.213 55.279 56.400 0.153 0.000 0.916 224 E CB 0.103 30.019 29.700 0.359 0.000 0.947 224 E HN 0.424 nan 8.360 nan 0.000 0.440 225 P HA -0.210 nan 4.420 nan 0.000 0.221 225 P C 0.976 178.350 177.300 0.124 0.000 1.150 225 P CA 1.429 64.574 63.100 0.074 0.000 0.800 225 P CB 0.023 31.740 31.700 0.027 0.000 0.787 226 H N -0.858 118.245 119.070 0.055 0.000 2.307 226 H HA -0.071 4.485 4.556 -0.001 0.000 0.303 226 H C 1.544 176.967 175.328 0.158 0.000 1.073 226 H CA 1.435 57.503 56.048 0.034 0.000 1.338 226 H CB -1.414 28.296 29.762 -0.087 0.000 1.389 226 H HN 0.299 nan 8.280 nan 0.000 0.503 227 W N 0.137 121.076 121.300 -0.603 0.000 3.008 227 W HA 0.699 5.358 4.660 -0.001 0.000 0.355 227 W C 0.447 176.805 176.519 -0.269 0.000 1.095 227 W CA -1.085 56.037 57.345 -0.372 0.000 1.738 227 W CB -0.756 28.460 29.460 -0.406 0.000 1.091 227 W HN 0.453 nan 8.180 nan 0.000 0.574 228 A N 1.260 124.065 122.820 -0.026 0.000 2.667 228 A HA -0.116 4.204 4.320 -0.001 0.000 0.298 228 A C -0.459 176.899 177.584 -0.377 0.000 1.483 228 A CA 1.360 53.300 52.037 -0.162 0.000 0.738 228 A CB -2.413 16.518 19.000 -0.115 0.000 1.067 228 A HN 0.472 nan 8.150 nan 0.000 0.451 229 I N 0.514 120.721 120.570 -0.606 0.000 2.722 229 I HA 0.536 4.705 4.170 -0.001 0.000 0.295 229 I C -2.462 173.332 176.117 -0.539 0.000 1.161 229 I CA -2.324 58.517 61.300 -0.766 0.000 1.032 229 I CB 2.987 40.055 38.000 -1.553 0.000 1.244 229 I HN 0.236 nan 8.210 nan 0.000 0.421 230 P HA 0.289 nan 4.420 nan 0.000 0.287 230 P C -0.442 176.687 177.300 -0.285 0.000 1.279 230 P CA -0.399 62.478 63.100 -0.372 0.000 0.867 230 P CB 2.067 33.630 31.700 -0.228 0.000 1.127 231 Q N 1.931 121.613 119.800 -0.196 0.000 1.965 231 Q HA 0.020 4.359 4.340 -0.001 0.000 0.200 231 Q C 1.613 177.556 176.000 -0.095 0.000 0.981 231 Q CA 2.622 58.341 55.803 -0.140 0.000 0.834 231 Q CB -1.164 27.509 28.738 -0.108 0.000 0.900 231 Q HN 0.688 nan 8.270 nan 0.000 0.426 232 G N -0.515 108.253 108.800 -0.053 0.000 3.735 232 G HA2 0.213 4.173 3.960 -0.001 0.000 0.283 232 G HA3 0.213 4.173 3.960 -0.001 0.000 0.283 232 G C -0.457 174.447 174.900 0.007 0.000 1.007 232 G CA -0.372 44.715 45.100 -0.021 0.000 0.821 232 G HN 0.058 nan 8.290 nan 0.000 0.505 233 Q N 0.172 119.981 119.800 0.014 0.000 2.377 233 Q HA 0.347 4.687 4.340 -0.001 0.000 0.271 233 Q C 0.452 176.475 176.000 0.039 0.000 1.077 233 Q CA -0.474 55.370 55.803 0.067 0.000 0.820 233 Q CB 1.881 30.724 28.738 0.175 0.000 1.347 233 Q HN 0.197 nan 8.270 nan 0.000 0.444 234 S N -1.108 114.536 115.700 -0.093 0.000 2.605 234 S HA 0.193 4.663 4.470 -0.001 0.000 0.217 234 S C 0.809 175.401 174.600 -0.012 0.000 0.958 234 S CA -0.043 57.927 58.200 -0.383 0.000 0.919 234 S CB 0.136 62.577 63.200 -1.266 0.000 0.780 234 S HN 0.551 nan 8.310 nan 0.000 0.507 235 A N 2.387 125.367 122.820 0.266 0.000 3.048 235 A HA 0.503 4.822 4.320 -0.001 0.000 0.264 235 A C 0.129 177.950 177.584 0.395 0.000 1.796 235 A CA -0.533 51.727 52.037 0.371 0.000 1.445 235 A CB -1.256 17.897 19.000 0.255 0.000 1.074 235 A HN 0.902 nan 8.150 nan 0.000 0.621 236 H N -3.436 115.836 119.070 0.338 0.000 3.042 236 H HA 0.500 5.056 4.556 -0.001 0.000 0.346 236 H C -0.229 175.301 175.328 0.337 0.000 1.294 236 H CA -0.715 55.492 56.048 0.264 0.000 1.141 236 H CB 0.322 30.193 29.762 0.182 0.000 1.872 236 H HN 0.085 nan 8.280 nan 0.000 0.541 237 D N 0.467 121.047 120.400 0.301 0.000 2.126 237 D HA -0.234 4.406 4.640 -0.001 0.000 0.190 237 D C 2.134 178.509 176.300 0.126 0.000 1.001 237 D CA 3.302 57.416 54.000 0.191 0.000 0.841 237 D CB -0.385 40.505 40.800 0.150 0.000 0.949 237 D HN 0.806 nan 8.370 nan 0.000 0.446 238 T N -1.587 113.049 114.554 0.136 0.000 2.788 238 T HA -0.222 4.128 4.350 -0.001 0.000 0.268 238 T C 1.914 176.571 174.700 -0.073 0.000 1.044 238 T CA 0.861 63.000 62.100 0.066 0.000 1.139 238 T CB -0.737 68.218 68.868 0.145 0.000 0.867 238 T HN 0.172 nan 8.240 nan 0.000 0.454 239 F N 0.764 120.422 119.950 -0.488 0.000 2.102 239 F HA 0.096 4.623 4.527 -0.001 0.000 0.298 239 F C 1.831 177.360 175.800 -0.452 0.000 1.105 239 F CA 0.614 58.243 58.000 -0.618 0.000 1.239 239 F CB -0.603 37.828 39.000 -0.947 0.000 0.991 239 F HN 0.156 nan 8.300 nan 0.000 0.474 240 W N 0.561 121.763 121.300 -0.163 0.000 2.467 240 W HA -0.077 4.582 4.660 -0.000 0.000 0.275 240 W C 2.260 178.691 176.519 -0.146 0.000 1.239 240 W CA 0.984 58.226 57.345 -0.171 0.000 1.266 240 W CB -0.580 28.868 29.460 -0.021 0.000 1.112 240 W HN 0.078 nan 8.180 nan 0.000 0.576 241 D N -0.685 119.750 120.400 0.058 0.000 2.097 241 D HA -0.282 4.358 4.640 -0.001 0.000 0.197 241 D C 1.891 178.192 176.300 0.002 0.000 0.984 241 D CA 1.405 55.428 54.000 0.038 0.000 0.826 241 D CB -0.520 40.314 40.800 0.057 0.000 0.973 241 D HN 0.175 nan 8.370 nan 0.000 0.460 242 Y N 0.461 120.660 120.300 -0.168 0.000 2.128 242 Y HA -0.215 4.334 4.550 -0.001 0.000 0.284 242 Y C 2.279 178.053 175.900 -0.210 0.000 1.154 242 Y CA 1.583 59.574 58.100 -0.182 0.000 1.149 242 Y CB -0.459 37.860 38.460 -0.236 0.000 0.976 242 Y HN -0.110 nan 8.280 nan 0.000 0.505 243 V N 0.150 119.955 119.914 -0.181 0.000 2.287 243 V HA -0.362 3.757 4.120 -0.001 0.000 0.248 243 V C 2.600 178.641 176.094 -0.089 0.000 1.053 243 V CA 2.314 64.495 62.300 -0.199 0.000 1.027 243 V CB -1.237 30.347 31.823 -0.399 0.000 0.646 243 V HN 0.677 nan 8.190 nan 0.000 0.447 244 S N -0.254 115.433 115.700 -0.022 0.000 2.419 244 S HA -0.070 4.399 4.470 -0.001 0.000 0.233 244 S C 1.725 176.294 174.600 -0.052 0.000 1.016 244 S CA 1.398 59.607 58.200 0.016 0.000 0.974 244 S CB -0.460 62.776 63.200 0.059 0.000 0.786 244 S HN 0.561 nan 8.310 nan 0.000 0.492 245 L N -0.047 121.099 121.223 -0.128 0.000 2.585 245 L HA 0.308 4.647 4.340 -0.001 0.000 0.226 245 L C 0.525 177.229 176.870 -0.276 0.000 1.113 245 L CA 0.166 54.903 54.840 -0.172 0.000 0.876 245 L CB 0.004 41.962 42.059 -0.169 0.000 1.072 245 L HN 0.254 nan 8.230 nan 0.000 0.468 246 Q N 0.278 119.872 119.800 -0.344 0.000 3.090 246 Q HA 0.228 4.568 4.340 -0.001 0.000 0.241 246 Q C -1.931 173.860 176.000 -0.348 0.000 0.958 246 Q CA -1.465 54.095 55.803 -0.405 0.000 0.715 246 Q CB 1.563 29.952 28.738 -0.582 0.000 1.298 246 Q HN -0.021 nan 8.270 nan 0.000 0.468 247 P HA -0.233 nan 4.420 nan 0.000 0.221 247 P C 0.994 177.992 177.300 -0.504 0.000 1.145 247 P CA 1.207 64.049 63.100 -0.430 0.000 0.795 247 P CB 0.265 31.677 31.700 -0.481 0.000 0.775 248 E N 0.663 120.449 120.200 -0.691 0.000 2.267 248 E HA -0.176 4.173 4.350 -0.001 0.000 0.197 248 E C 1.451 178.012 176.600 -0.065 0.000 0.998 248 E CA 1.832 58.079 56.400 -0.256 0.000 0.830 248 E CB -1.290 28.329 29.700 -0.135 0.000 0.751 248 E HN 0.291 nan 8.360 nan 0.000 0.491 249 T N -0.815 113.707 114.554 -0.054 0.000 3.072 249 T HA 0.039 4.389 4.350 -0.001 0.000 0.266 249 T C 1.906 176.680 174.700 0.122 0.000 1.127 249 T CA 0.326 62.462 62.100 0.058 0.000 1.107 249 T CB -0.279 68.648 68.868 0.099 0.000 0.910 249 T HN 0.143 nan 8.240 nan 0.000 0.513 250 L N 0.024 121.318 121.223 0.119 0.000 2.046 250 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 250 L C 2.862 179.902 176.870 0.283 0.000 1.077 250 L CA 1.825 56.802 54.840 0.229 0.000 0.747 250 L CB -0.783 41.419 42.059 0.238 0.000 0.896 250 L HN 0.460 nan 8.230 nan 0.000 0.432 251 H N 0.098 119.224 119.070 0.093 0.000 2.290 251 H HA -0.230 4.326 4.556 -0.001 0.000 0.298 251 H C 2.162 177.498 175.328 0.013 0.000 1.087 251 H CA 1.943 58.041 56.048 0.083 0.000 1.291 251 H CB 0.190 29.967 29.762 0.026 0.000 1.369 251 H HN 0.362 nan 8.280 nan 0.000 0.492 252 N N -0.172 118.375 118.700 -0.256 0.000 2.309 252 N HA -0.121 4.619 4.740 -0.001 0.000 0.182 252 N C 1.932 177.282 175.510 -0.266 0.000 1.018 252 N CA 0.673 53.354 53.050 -0.614 0.000 0.876 252 N CB 0.287 37.978 38.487 -1.327 0.000 0.972 252 N HN 0.122 nan 8.380 nan 0.000 0.434 253 V N 1.626 121.600 119.914 0.099 0.000 2.343 253 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 253 V C 2.501 178.729 176.094 0.222 0.000 1.051 253 V CA 1.240 63.725 62.300 0.309 0.000 1.036 253 V CB -0.357 31.694 31.823 0.380 0.000 0.654 253 V HN 0.405 nan 8.190 nan 0.000 0.451 254 M N -1.562 118.203 119.600 0.276 0.000 2.080 254 M HA -0.208 4.272 4.480 -0.001 0.000 0.260 254 M C 2.097 178.400 176.300 0.006 0.000 1.068 254 M CA 1.930 57.393 55.300 0.271 0.000 1.109 254 M CB -1.193 31.593 32.600 0.310 0.000 1.342 254 M HN 0.471 nan 8.290 nan 0.000 0.405 255 W N 0.474 121.511 121.300 -0.438 0.000 2.358 255 W HA -0.092 4.567 4.660 -0.000 0.000 0.303 255 W C 2.791 179.241 176.519 -0.113 0.000 1.208 255 W CA 1.805 58.873 57.345 -0.460 0.000 1.274 255 W CB -1.047 28.073 29.460 -0.566 0.000 1.138 255 W HN 0.292 nan 8.180 nan 0.000 0.515 256 A N -0.654 122.252 122.820 0.143 0.000 1.933 256 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 256 A C 1.938 179.579 177.584 0.096 0.000 1.175 256 A CA 1.694 53.818 52.037 0.145 0.000 0.628 256 A CB -0.590 18.526 19.000 0.193 0.000 0.814 256 A HN 0.096 nan 8.150 nan 0.000 0.444 257 M N 0.700 120.311 119.600 0.018 0.000 2.419 257 M HA 0.011 4.490 4.480 -0.001 0.000 0.264 257 M C 1.501 177.845 176.300 0.074 0.000 1.082 257 M CA 0.814 56.066 55.300 -0.081 0.000 1.119 257 M CB -1.424 30.877 32.600 -0.499 0.000 1.398 257 M HN 0.554 nan 8.290 nan 0.000 0.453 258 S N 0.212 116.016 115.700 0.173 0.000 2.641 258 S HA 0.083 4.553 4.470 -0.001 0.000 0.261 258 S C 0.750 175.483 174.600 0.222 0.000 1.257 258 S CA -0.436 57.906 58.200 0.238 0.000 0.983 258 S CB 0.871 64.259 63.200 0.314 0.000 0.990 258 S HN 0.195 nan 8.310 nan 0.000 0.572 259 D N 0.154 120.702 120.400 0.247 0.000 2.378 259 D HA 0.026 4.666 4.640 -0.001 0.000 0.222 259 D C 1.842 178.288 176.300 0.244 0.000 0.980 259 D CA 0.326 54.491 54.000 0.275 0.000 0.907 259 D CB -0.158 40.872 40.800 0.383 0.000 0.899 259 D HN 0.386 nan 8.370 nan 0.000 0.527 260 R N 0.212 120.852 120.500 0.233 0.000 2.152 260 R HA -0.046 4.293 4.340 -0.001 0.000 0.232 260 R C 2.037 178.494 176.300 0.262 0.000 1.117 260 R CA 0.953 57.214 56.100 0.268 0.000 0.981 260 R CB -0.729 29.798 30.300 0.378 0.000 0.870 260 R HN 0.170 nan 8.270 nan 0.000 0.451 261 G N 1.305 110.248 108.800 0.238 0.000 2.848 261 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.208 261 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.208 261 G C 0.990 176.031 174.900 0.236 0.000 1.152 261 G CA 0.050 45.283 45.100 0.221 0.000 0.789 261 G HN 0.407 nan 8.290 nan 0.000 0.531 262 I N -2.136 118.582 120.570 0.246 0.000 2.926 262 I HA 0.351 4.521 4.170 -0.001 0.000 0.295 262 I C -2.853 173.413 176.117 0.249 0.000 1.463 262 I CA -2.590 58.860 61.300 0.249 0.000 0.892 262 I CB 1.735 39.882 38.000 0.245 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.053 nan 4.420 nan 0.000 0.269 263 P C 0.519 177.955 177.300 0.227 0.000 1.209 263 P CA -0.095 63.109 63.100 0.173 0.000 0.776 263 P CB 1.267 33.005 31.700 0.064 0.000 0.876 264 R N 1.910 122.528 120.500 0.197 0.000 2.090 264 R HA 0.028 4.368 4.340 -0.001 0.000 0.228 264 R C 0.533 176.987 176.300 0.256 0.000 1.110 264 R CA 1.446 57.712 56.100 0.276 0.000 0.973 264 R CB -0.396 30.042 30.300 0.230 0.000 0.869 264 R HN 0.548 nan 8.270 nan 0.000 0.440 265 S N -2.803 112.857 115.700 -0.068 0.000 2.565 265 S HA 0.245 4.715 4.470 -0.001 0.000 0.269 265 S C -0.411 173.905 174.600 -0.474 0.000 1.153 265 S CA -0.870 57.137 58.200 -0.323 0.000 0.835 265 S CB 0.260 63.389 63.200 -0.118 0.000 1.122 265 S HN 0.112 nan 8.310 nan 0.000 0.462 266 Y N 1.954 121.906 120.300 -0.580 0.000 2.421 266 Y HA 0.123 4.673 4.550 -0.000 0.000 0.292 266 Y C 2.328 177.872 175.900 -0.593 0.000 1.136 266 Y CA 0.902 58.519 58.100 -0.805 0.000 1.255 266 Y CB -0.266 37.377 38.460 -1.360 0.000 0.991 266 Y HN 0.554 nan 8.280 nan 0.000 0.552 267 R N -0.624 119.755 120.500 -0.203 0.000 2.235 267 R HA -0.028 4.312 4.340 -0.001 0.000 0.213 267 R C 1.070 177.335 176.300 -0.058 0.000 1.059 267 R CA 1.501 57.534 56.100 -0.111 0.000 0.997 267 R CB -0.370 29.858 30.300 -0.120 0.000 0.884 267 R HN 0.306 nan 8.270 nan 0.000 0.462 268 T N -1.697 112.836 114.554 -0.034 0.000 3.308 268 T HA 0.356 4.706 4.350 -0.001 0.000 0.270 268 T C 0.182 174.922 174.700 0.068 0.000 0.992 268 T CA -0.682 61.425 62.100 0.012 0.000 0.931 268 T CB -0.087 68.773 68.868 -0.012 0.000 1.142 268 T HN 0.074 nan 8.240 nan 0.000 0.525 269 M N -1.156 118.524 119.600 0.133 0.000 2.619 269 M HA 0.735 5.214 4.480 -0.001 0.000 0.297 269 M C -1.102 175.378 176.300 0.299 0.000 1.229 269 M CA -0.903 54.517 55.300 0.200 0.000 0.860 269 M CB 2.137 34.851 32.600 0.189 0.000 1.741 269 M HN -0.148 nan 8.290 nan 0.000 0.462 270 E N 0.385 120.761 120.200 0.293 0.000 2.345 270 E HA 0.660 5.010 4.350 -0.001 0.000 0.259 270 E C -0.289 176.402 176.600 0.151 0.000 1.117 270 E CA -0.530 55.986 56.400 0.194 0.000 0.913 270 E CB 1.607 31.362 29.700 0.092 0.000 1.057 270 E HN 0.861 nan 8.360 nan 0.000 0.432 271 G N 0.763 109.467 108.800 -0.159 0.000 2.571 271 G HA2 0.618 4.578 3.960 -0.001 0.000 0.304 271 G HA3 0.618 4.578 3.960 -0.001 0.000 0.304 271 G C -1.506 172.991 174.900 -0.672 0.000 1.314 271 G CA -0.476 44.498 45.100 -0.210 0.000 0.975 271 G HN 0.278 nan 8.290 nan 0.000 0.485 272 F N -0.058 119.830 119.950 -0.103 0.000 2.591 272 F HA 0.508 5.035 4.527 -0.001 0.000 0.309 272 F C 1.103 176.814 175.800 -0.149 0.000 1.098 272 F CA -0.550 57.319 58.000 -0.218 0.000 0.937 272 F CB 2.617 41.434 39.000 -0.304 0.000 1.250 272 F HN 0.598 nan 8.300 nan 0.000 0.447 273 G N 0.920 109.781 108.800 0.101 0.000 2.623 273 G HA2 0.111 4.070 3.960 -0.001 0.000 0.214 273 G HA3 0.111 4.070 3.960 -0.001 0.000 0.214 273 G C 1.217 176.167 174.900 0.084 0.000 1.138 273 G CA 0.850 46.061 45.100 0.185 0.000 0.794 273 G HN 0.807 nan 8.290 nan 0.000 0.535 274 I N -1.067 119.482 120.570 -0.034 0.000 4.624 274 I HA -0.323 3.846 4.170 -0.001 0.000 0.049 274 I C 0.541 176.525 176.117 -0.223 0.000 0.621 274 I CA 1.552 62.710 61.300 -0.237 0.000 0.836 274 I CB -1.224 36.536 38.000 -0.402 0.000 0.765 274 I HN 0.267 nan 8.210 nan 0.000 0.159 275 H N 2.246 121.317 119.070 0.001 0.000 2.690 275 H HA 0.234 4.790 4.556 -0.000 0.000 0.365 275 H C 0.123 175.374 175.328 -0.130 0.000 1.142 275 H CA 0.508 56.465 56.048 -0.152 0.000 1.417 275 H CB 0.285 29.796 29.762 -0.417 0.000 1.446 275 H HN 0.184 nan 8.280 nan 0.000 0.599 276 T N 3.833 118.344 114.554 -0.072 0.000 2.779 276 T HA 0.232 4.582 4.350 -0.001 0.000 0.296 276 T C 0.262 174.883 174.700 -0.131 0.000 0.938 276 T CA 0.019 62.068 62.100 -0.085 0.000 1.119 276 T CB -0.179 68.590 68.868 -0.165 0.000 0.891 276 T HN 0.238 nan 8.240 nan 0.000 0.526 277 F N 1.348 121.257 119.950 -0.067 0.000 2.629 277 F HA 0.664 5.190 4.527 -0.001 0.000 0.386 277 F C 1.043 176.807 175.800 -0.059 0.000 1.135 277 F CA -1.308 56.677 58.000 -0.025 0.000 1.116 277 F CB 1.353 40.325 39.000 -0.046 0.000 1.426 277 F HN 0.192 nan 8.300 nan 0.000 0.501 278 R N 0.467 121.034 120.500 0.110 0.000 2.740 278 R HA 0.677 5.016 4.340 -0.001 0.000 0.282 278 R C -1.688 174.507 176.300 -0.176 0.000 0.969 278 R CA -0.889 55.142 56.100 -0.116 0.000 0.918 278 R CB 2.035 32.199 30.300 -0.226 0.000 1.175 278 R HN 0.436 nan 8.270 nan 0.000 0.464 279 L N 3.533 124.600 121.223 -0.259 0.000 2.329 279 L HA 0.558 4.898 4.340 -0.001 0.000 0.279 279 L C -0.632 176.089 176.870 -0.249 0.000 1.014 279 L CA -0.951 53.747 54.840 -0.238 0.000 0.814 279 L CB 1.574 43.495 42.059 -0.229 0.000 1.257 279 L HN 0.369 nan 8.230 nan 0.000 0.424 280 I N 2.871 123.318 120.570 -0.204 0.000 2.418 280 I HA 0.286 4.456 4.170 -0.001 0.000 0.287 280 I C -0.285 175.751 176.117 -0.135 0.000 1.008 280 I CA -0.672 60.512 61.300 -0.192 0.000 1.104 280 I CB 1.414 39.309 38.000 -0.175 0.000 1.264 280 I HN 0.630 nan 8.210 nan 0.000 0.438 281 N N 4.905 123.537 118.700 -0.113 0.000 2.448 281 N HA 0.396 5.136 4.740 -0.001 0.000 0.274 281 N C 0.873 176.345 175.510 -0.063 0.000 1.239 281 N CA -0.326 52.676 53.050 -0.080 0.000 0.982 281 N CB 0.594 39.041 38.487 -0.067 0.000 1.199 281 N HN 0.516 nan 8.380 nan 0.000 0.576 282 A N -0.427 122.364 122.820 -0.048 0.000 1.978 282 A HA -0.141 4.178 4.320 -0.001 0.000 0.220 282 A C 1.584 179.149 177.584 -0.031 0.000 1.170 282 A CA 1.475 53.490 52.037 -0.038 0.000 0.636 282 A CB -0.825 18.158 19.000 -0.028 0.000 0.810 282 A HN 0.745 nan 8.150 nan 0.000 0.448 283 E N -1.430 118.753 120.200 -0.029 0.000 2.478 283 E HA 0.238 4.588 4.350 -0.001 0.000 0.198 283 E C 1.317 177.908 176.600 -0.014 0.000 1.046 283 E CA 0.838 57.225 56.400 -0.021 0.000 0.870 283 E CB -0.223 29.466 29.700 -0.020 0.000 0.818 283 E HN 0.784 nan 8.360 nan 0.000 0.527 284 G N 0.822 109.611 108.800 -0.018 0.000 2.175 284 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.244 284 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.244 284 G C 0.311 175.230 174.900 0.032 0.000 0.982 284 G CA 0.243 45.352 45.100 0.014 0.000 0.641 284 G HN 0.283 nan 8.290 nan 0.000 0.527 285 K N 0.880 121.261 120.400 -0.031 0.000 2.298 285 K HA 0.656 4.975 4.320 -0.001 0.000 0.280 285 K C 0.541 177.015 176.600 -0.210 0.000 1.032 285 K CA 0.210 56.452 56.287 -0.075 0.000 0.958 285 K CB 0.580 33.038 32.500 -0.072 0.000 0.978 285 K HN 0.570 nan 8.250 nan 0.000 0.472 286 A N 3.289 125.883 122.820 -0.378 0.000 2.305 286 A HA 0.451 4.770 4.320 -0.001 0.000 0.322 286 A C -0.803 176.476 177.584 -0.508 0.000 1.187 286 A CA -0.520 51.140 52.037 -0.629 0.000 0.825 286 A CB 1.231 19.465 19.000 -1.277 0.000 1.164 286 A HN 0.718 nan 8.150 nan 0.000 0.498 287 T N 2.209 116.491 114.554 -0.453 0.000 2.848 287 T HA 0.533 4.883 4.350 -0.001 0.000 0.285 287 T C -0.714 173.763 174.700 -0.373 0.000 0.995 287 T CA -0.092 61.797 62.100 -0.352 0.000 0.970 287 T CB 0.460 69.214 68.868 -0.190 0.000 0.976 287 T HN 0.340 nan 8.240 nan 0.000 0.441 288 F N 2.104 121.963 119.950 -0.152 0.000 2.429 288 F HA 0.540 5.067 4.527 -0.001 0.000 0.348 288 F C 0.563 176.246 175.800 -0.196 0.000 1.109 288 F CA -0.431 57.473 58.000 -0.161 0.000 1.232 288 F CB 0.740 39.665 39.000 -0.124 0.000 1.157 288 F HN 0.197 nan 8.300 nan 0.000 0.564 289 V N 4.632 124.506 119.914 -0.068 0.000 2.888 289 V HA 0.615 4.734 4.120 -0.001 0.000 0.309 289 V C -1.040 174.834 176.094 -0.367 0.000 1.114 289 V CA -0.793 61.321 62.300 -0.311 0.000 0.940 289 V CB 2.191 33.605 31.823 -0.681 0.000 1.021 289 V HN 0.768 nan 8.190 nan 0.000 0.426 290 R N 4.657 124.981 120.500 -0.293 0.000 2.534 290 R HA 0.555 4.894 4.340 -0.001 0.000 0.301 290 R C -1.672 174.549 176.300 -0.131 0.000 0.961 290 R CA -0.435 55.543 56.100 -0.203 0.000 0.871 290 R CB 2.007 32.307 30.300 -0.001 0.000 1.170 290 R HN 0.594 nan 8.270 nan 0.000 0.446 291 F N 2.265 122.259 119.950 0.073 0.000 2.385 291 F HA 0.372 4.899 4.527 -0.001 0.000 0.336 291 F C 0.970 176.718 175.800 -0.086 0.000 1.100 291 F CA -0.113 57.903 58.000 0.026 0.000 1.116 291 F CB 0.902 39.808 39.000 -0.157 0.000 1.166 291 F HN 0.214 nan 8.300 nan 0.000 0.511 292 H N 0.917 119.984 119.070 -0.006 0.000 2.768 292 H HA 0.260 4.816 4.556 -0.001 0.000 0.371 292 H C -1.553 173.548 175.328 -0.378 0.000 1.151 292 H CA -1.022 54.909 56.048 -0.196 0.000 1.165 292 H CB 2.015 31.752 29.762 -0.042 0.000 1.722 292 H HN 0.671 nan 8.280 nan 0.000 0.543 293 W N 2.175 123.359 121.300 -0.194 0.000 2.600 293 W HA 0.329 4.989 4.660 -0.001 0.000 0.325 293 W C -0.145 176.396 176.519 0.037 0.000 1.034 293 W CA -0.774 56.515 57.345 -0.092 0.000 1.226 293 W CB 1.850 31.086 29.460 -0.373 0.000 1.379 293 W HN 0.280 nan 8.180 nan 0.000 0.466 294 K N 5.545 126.211 120.400 0.443 0.000 2.235 294 K HA 0.404 4.724 4.320 -0.001 0.000 0.266 294 K C -2.444 174.381 176.600 0.374 0.000 0.980 294 K CA -1.921 54.566 56.287 0.333 0.000 0.849 294 K CB 1.516 34.163 32.500 0.245 0.000 1.098 294 K HN 0.040 nan 8.250 nan 0.000 0.445 295 P HA 0.056 nan 4.420 nan 0.000 0.276 295 P C 0.268 177.582 177.300 0.024 0.000 1.253 295 P CA -0.083 63.093 63.100 0.127 0.000 0.766 295 P CB 0.727 32.512 31.700 0.142 0.000 0.845 296 L N 2.555 123.733 121.223 -0.074 0.000 2.552 296 L HA -0.021 4.319 4.340 -0.001 0.000 0.227 296 L C 2.130 178.979 176.870 -0.035 0.000 1.146 296 L CA 0.829 55.658 54.840 -0.019 0.000 0.858 296 L CB -0.530 41.528 42.059 -0.003 0.000 0.969 296 L HN 0.342 nan 8.230 nan 0.000 0.451 297 A N -0.051 122.725 122.820 -0.073 0.000 2.218 297 A HA 0.443 4.763 4.320 -0.001 0.000 0.209 297 A C 1.240 178.821 177.584 -0.005 0.000 1.168 297 A CA 0.648 52.658 52.037 -0.045 0.000 0.804 297 A CB -0.180 18.776 19.000 -0.073 0.000 0.834 297 A HN 0.438 nan 8.150 nan 0.000 0.482 298 G N -0.670 108.140 108.800 0.017 0.000 2.712 298 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.683 298 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.683 298 G C -0.712 174.215 174.900 0.046 0.000 1.320 298 G CA -0.519 44.609 45.100 0.047 0.000 0.847 298 G HN 0.411 nan 8.290 nan 0.000 0.553 299 K N 0.210 120.642 120.400 0.054 0.000 2.227 299 K HA 0.702 5.021 4.320 -0.001 0.000 0.280 299 K C 0.206 176.796 176.600 -0.018 0.000 1.041 299 K CA 0.262 56.566 56.287 0.028 0.000 0.905 299 K CB 1.668 34.176 32.500 0.013 0.000 1.068 299 K HN 1.416 nan 8.250 nan 0.000 0.470 300 A N 1.889 124.688 122.820 -0.035 0.000 2.540 300 A HA 0.593 4.912 4.320 -0.001 0.000 0.297 300 A C -1.114 176.509 177.584 0.066 0.000 1.056 300 A CA -0.679 51.291 52.037 -0.112 0.000 0.700 300 A CB 1.693 20.410 19.000 -0.473 0.000 1.280 300 A HN 0.520 nan 8.150 nan 0.000 0.398 301 S N 0.545 116.441 115.700 0.328 0.000 2.632 301 S HA 0.761 5.231 4.470 -0.001 0.000 0.289 301 S C -0.066 174.851 174.600 0.528 0.000 1.115 301 S CA -0.612 57.821 58.200 0.389 0.000 0.889 301 S CB 1.209 64.626 63.200 0.362 0.000 1.116 301 S HN 0.648 nan 8.310 nan 0.000 0.486 302 L N 1.232 122.655 121.223 0.332 0.000 2.543 302 L HA 0.552 4.892 4.340 -0.001 0.000 0.231 302 L C 0.024 177.006 176.870 0.187 0.000 1.194 302 L CA -0.784 54.174 54.840 0.196 0.000 0.823 302 L CB 0.174 42.261 42.059 0.047 0.000 1.374 302 L HN 0.497 nan 8.230 nan 0.000 0.507 303 V N -3.169 116.754 119.914 0.014 0.000 2.732 303 V HA 0.176 4.295 4.120 -0.001 0.000 0.310 303 V C 0.697 176.744 176.094 -0.078 0.000 1.053 303 V CA -0.805 61.479 62.300 -0.026 0.000 0.957 303 V CB 1.585 33.372 31.823 -0.060 0.000 1.018 303 V HN 0.933 nan 8.190 nan 0.000 0.452 304 W N 1.987 123.160 121.300 -0.211 0.000 2.317 304 W HA -0.249 4.410 4.660 -0.001 0.000 0.318 304 W C 1.785 178.152 176.519 -0.253 0.000 1.227 304 W CA 2.647 59.861 57.345 -0.218 0.000 1.269 304 W CB -0.111 29.206 29.460 -0.237 0.000 1.155 304 W HN 1.006 nan 8.180 nan 0.000 0.484 305 D N 0.125 120.275 120.400 -0.417 0.000 2.123 305 D HA -0.283 4.357 4.640 -0.001 0.000 0.196 305 D C 2.144 178.097 176.300 -0.578 0.000 0.992 305 D CA 2.130 55.839 54.000 -0.485 0.000 0.833 305 D CB -0.478 40.279 40.800 -0.071 0.000 0.954 305 D HN 0.370 nan 8.370 nan 0.000 0.455 306 E N -0.407 119.323 120.200 -0.783 0.000 2.031 306 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 306 E C 2.041 178.305 176.600 -0.560 0.000 0.994 306 E CA 1.078 56.967 56.400 -0.852 0.000 0.800 306 E CB -0.234 28.885 29.700 -0.969 0.000 0.752 306 E HN 0.311 nan 8.360 nan 0.000 0.447 307 A N 1.143 123.659 122.820 -0.507 0.000 1.883 307 A HA -0.278 4.042 4.320 -0.001 0.000 0.217 307 A C 2.184 179.439 177.584 -0.548 0.000 1.186 307 A CA 1.902 53.682 52.037 -0.429 0.000 0.624 307 A CB -0.752 18.101 19.000 -0.246 0.000 0.822 307 A HN 0.444 nan 8.150 nan 0.000 0.444 308 Q N -0.649 118.618 119.800 -0.888 0.000 2.079 308 Q HA -0.178 4.161 4.340 -0.001 0.000 0.200 308 Q C 2.183 177.902 176.000 -0.469 0.000 0.974 308 Q CA 1.753 57.056 55.803 -0.833 0.000 0.840 308 Q CB -0.135 27.846 28.738 -1.263 0.000 0.898 308 Q HN 0.674 nan 8.270 nan 0.000 0.430 309 K N 0.071 120.219 120.400 -0.419 0.000 2.148 309 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 309 K C 2.015 178.474 176.600 -0.235 0.000 1.050 309 K CA 0.674 56.808 56.287 -0.255 0.000 0.942 309 K CB -0.023 32.370 32.500 -0.178 0.000 0.724 309 K HN 0.168 nan 8.250 nan 0.000 0.446 310 L N 1.338 122.380 121.223 -0.302 0.000 2.275 310 L HA -0.113 4.227 4.340 -0.001 0.000 0.215 310 L C 2.111 178.843 176.870 -0.231 0.000 1.119 310 L CA 1.952 56.610 54.840 -0.302 0.000 0.790 310 L CB -0.755 41.034 42.059 -0.450 0.000 0.919 310 L HN 0.295 nan 8.230 nan 0.000 0.443 311 T N -4.572 109.851 114.554 -0.219 0.000 2.915 311 T HA -0.038 4.312 4.350 -0.001 0.000 0.269 311 T C 1.814 176.448 174.700 -0.110 0.000 1.071 311 T CA 0.910 62.921 62.100 -0.148 0.000 1.132 311 T CB -0.812 67.978 68.868 -0.129 0.000 0.878 311 T HN 0.367 nan 8.240 nan 0.000 0.479 312 G N 1.114 109.844 108.800 -0.117 0.000 2.437 312 G HA2 0.017 3.977 3.960 -0.001 0.000 0.212 312 G HA3 0.017 3.977 3.960 -0.001 0.000 0.212 312 G C 1.887 176.743 174.900 -0.073 0.000 1.174 312 G CA -0.312 44.737 45.100 -0.085 0.000 0.811 312 G HN 0.275 nan 8.290 nan 0.000 0.537 313 R N 0.364 120.813 120.500 -0.086 0.000 2.092 313 R HA 0.022 4.361 4.340 -0.001 0.000 0.231 313 R C -0.134 176.140 176.300 -0.042 0.000 1.119 313 R CA 0.898 56.960 56.100 -0.063 0.000 0.970 313 R CB -0.253 30.002 30.300 -0.075 0.000 0.864 313 R HN 0.339 nan 8.270 nan 0.000 0.440 314 D N -0.630 119.740 120.400 -0.051 0.000 2.411 314 D HA 0.133 4.773 4.640 -0.001 0.000 0.239 314 D C -2.090 174.207 176.300 -0.004 0.000 1.307 314 D CA -1.737 52.264 54.000 0.001 0.000 0.930 314 D CB 1.331 42.181 40.800 0.084 0.000 1.395 314 D HN -0.131 nan 8.370 nan 0.000 0.536 315 P HA -0.016 nan 4.420 nan 0.000 0.228 315 P C 0.024 177.323 177.300 -0.001 0.000 1.151 315 P CA 0.682 63.766 63.100 -0.027 0.000 0.770 315 P CB 0.515 32.196 31.700 -0.031 0.000 0.786 316 D N -1.435 118.975 120.400 0.018 0.000 2.463 316 D HA 0.079 4.719 4.640 -0.001 0.000 0.224 316 D C 1.194 177.520 176.300 0.042 0.000 1.174 316 D CA -0.480 53.533 54.000 0.023 0.000 0.829 316 D CB -0.544 40.248 40.800 -0.013 0.000 0.993 316 D HN 0.106 nan 8.370 nan 0.000 0.497 317 F N 1.327 121.209 119.950 -0.113 0.000 2.091 317 F HA -0.255 4.271 4.527 -0.001 0.000 0.299 317 F C 2.068 177.826 175.800 -0.071 0.000 1.103 317 F CA 1.920 59.846 58.000 -0.123 0.000 1.228 317 F CB 0.055 38.926 39.000 -0.215 0.000 0.984 317 F HN 0.122 nan 8.300 nan 0.000 0.477 318 H N -1.313 117.668 119.070 -0.148 0.000 2.395 318 H HA -0.072 4.484 4.556 -0.001 0.000 0.299 318 H C 2.381 177.597 175.328 -0.186 0.000 1.070 318 H CA 0.873 56.693 56.048 -0.380 0.000 1.356 318 H CB -0.104 29.240 29.762 -0.697 0.000 1.401 318 H HN 0.172 nan 8.280 nan 0.000 0.524 319 R N 1.203 121.784 120.500 0.135 0.000 2.073 319 R HA -0.134 4.205 4.340 -0.001 0.000 0.234 319 R C 2.437 178.829 176.300 0.154 0.000 1.134 319 R CA 1.351 57.584 56.100 0.221 0.000 0.952 319 R CB -0.021 30.394 30.300 0.191 0.000 0.850 319 R HN 0.195 nan 8.270 nan 0.000 0.433 320 R N 0.330 120.841 120.500 0.018 0.000 2.073 320 R HA -0.143 4.196 4.340 -0.001 0.000 0.234 320 R C 2.201 178.493 176.300 -0.014 0.000 1.134 320 R CA 1.672 57.766 56.100 -0.010 0.000 0.952 320 R CB -0.254 29.997 30.300 -0.082 0.000 0.850 320 R HN 0.254 nan 8.270 nan 0.000 0.433 321 E N 0.693 120.774 120.200 -0.199 0.000 2.118 321 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 321 E C 1.989 178.560 176.600 -0.047 0.000 0.992 321 E CA 1.164 57.429 56.400 -0.225 0.000 0.804 321 E CB -0.071 29.326 29.700 -0.505 0.000 0.741 321 E HN 0.261 nan 8.360 nan 0.000 0.458 322 L N 0.663 121.905 121.223 0.031 0.000 2.027 322 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 322 L C 2.252 179.225 176.870 0.172 0.000 1.074 322 L CA 1.778 56.684 54.840 0.111 0.000 0.745 322 L CB -0.878 41.307 42.059 0.210 0.000 0.898 322 L HN 0.297 nan 8.230 nan 0.000 0.433 323 W N 0.937 122.270 121.300 0.055 0.000 2.335 323 W HA -0.218 4.441 4.660 -0.001 0.000 0.311 323 W C 2.226 178.773 176.519 0.046 0.000 1.213 323 W CA 2.215 59.603 57.345 0.072 0.000 1.274 323 W CB -0.143 29.361 29.460 0.074 0.000 1.148 323 W HN 0.346 nan 8.180 nan 0.000 0.498 324 E N -0.067 120.305 120.200 0.287 0.000 2.150 324 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 324 E C 2.338 178.967 176.600 0.048 0.000 0.985 324 E CA 1.059 57.548 56.400 0.148 0.000 0.814 324 E CB -0.342 29.399 29.700 0.070 0.000 0.752 324 E HN 0.186 nan 8.360 nan 0.000 0.466 325 A N 1.237 124.084 122.820 0.045 0.000 1.902 325 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 325 A C 2.150 179.754 177.584 0.033 0.000 1.181 325 A CA 1.061 53.116 52.037 0.030 0.000 0.623 325 A CB -0.511 18.508 19.000 0.032 0.000 0.818 325 A HN 0.137 nan 8.150 nan 0.000 0.443 326 I N -0.463 120.147 120.570 0.068 0.000 2.315 326 I HA -0.214 3.955 4.170 -0.001 0.000 0.248 326 I C 2.357 178.537 176.117 0.105 0.000 1.117 326 I CA 1.278 62.669 61.300 0.151 0.000 1.404 326 I CB -0.368 37.660 38.000 0.045 0.000 1.071 326 I HN 0.416 nan 8.210 nan 0.000 0.419 327 E N 0.862 121.075 120.200 0.021 0.000 2.204 327 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 327 E C 2.120 178.729 176.600 0.015 0.000 0.989 327 E CA 1.084 57.507 56.400 0.038 0.000 0.824 327 E CB -0.046 29.706 29.700 0.087 0.000 0.756 327 E HN 0.494 nan 8.360 nan 0.000 0.477 328 A N 0.131 122.934 122.820 -0.028 0.000 2.178 328 A HA 0.237 4.557 4.320 -0.001 0.000 0.211 328 A C 1.775 179.286 177.584 -0.122 0.000 1.157 328 A CA 0.900 52.900 52.037 -0.062 0.000 0.780 328 A CB -0.043 18.904 19.000 -0.088 0.000 0.828 328 A HN 0.325 nan 8.150 nan 0.000 0.476 329 G N -0.467 108.167 108.800 -0.276 0.000 2.175 329 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.244 329 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.244 329 G C -0.201 174.164 174.900 -0.891 0.000 0.982 329 G CA 0.232 44.872 45.100 -0.766 0.000 0.641 329 G HN 0.431 nan 8.290 nan 0.000 0.527 330 D N 1.045 121.194 120.400 -0.420 0.000 2.994 330 D HA 0.292 4.932 4.640 -0.001 0.000 0.240 330 D C 0.717 176.938 176.300 -0.131 0.000 1.195 330 D CA -0.163 53.704 54.000 -0.222 0.000 0.957 330 D CB -0.709 40.072 40.800 -0.032 0.000 1.105 330 D HN 0.430 nan 8.370 nan 0.000 0.477 331 F N 1.352 121.305 119.950 0.005 0.000 2.578 331 F HA 0.115 4.641 4.527 -0.000 0.000 0.381 331 F C -1.392 174.379 175.800 -0.049 0.000 1.069 331 F CA -2.010 55.984 58.000 -0.010 0.000 1.231 331 F CB -0.019 38.986 39.000 0.008 0.000 1.086 331 F HN -0.099 nan 8.300 nan 0.000 0.564 332 P HA 0.016 nan 4.420 nan 0.000 0.262 332 P C -1.097 176.141 177.300 -0.103 0.000 1.199 332 P CA 0.361 63.441 63.100 -0.034 0.000 0.763 332 P CB 0.408 32.175 31.700 0.112 0.000 0.790 333 E N 2.577 122.576 120.200 -0.335 0.000 2.234 333 E HA 0.441 4.790 4.350 -0.001 0.000 0.266 333 E C -1.044 175.277 176.600 -0.466 0.000 0.877 333 E CA -0.566 55.694 56.400 -0.233 0.000 0.758 333 E CB 1.445 31.106 29.700 -0.065 0.000 1.170 333 E HN 0.384 nan 8.360 nan 0.000 0.415 334 Y N 0.412 120.782 120.300 0.117 0.000 2.477 334 Y HA 0.259 4.809 4.550 -0.000 0.000 0.347 334 Y C -0.188 175.936 175.900 0.374 0.000 0.981 334 Y CA -1.006 57.235 58.100 0.234 0.000 1.033 334 Y CB 2.030 40.603 38.460 0.189 0.000 1.245 334 Y HN 0.471 nan 8.280 nan 0.000 0.455 335 E N 2.762 123.284 120.200 0.537 0.000 2.134 335 E HA 0.389 4.739 4.350 -0.001 0.000 0.278 335 E C -1.481 175.394 176.600 0.458 0.000 0.959 335 E CA -0.959 55.713 56.400 0.453 0.000 0.783 335 E CB 1.011 30.917 29.700 0.343 0.000 1.095 335 E HN 0.592 nan 8.360 nan 0.000 0.399 336 L N 4.349 125.769 121.223 0.329 0.000 2.416 336 L HA 0.508 4.848 4.340 -0.001 0.000 0.272 336 L C -0.074 176.740 176.870 -0.095 0.000 1.161 336 L CA 0.656 55.417 54.840 -0.133 0.000 0.845 336 L CB 1.006 42.931 42.059 -0.225 0.000 1.119 336 L HN 0.588 nan 8.230 nan 0.000 0.464 337 G N 4.425 113.182 108.800 -0.071 0.000 2.659 337 G HA2 0.569 4.529 3.960 -0.001 0.000 0.296 337 G HA3 0.569 4.529 3.960 -0.001 0.000 0.296 337 G C -1.661 173.366 174.900 0.210 0.000 1.369 337 G CA -0.511 44.581 45.100 -0.013 0.000 0.937 337 G HN 0.466 nan 8.290 nan 0.000 0.485 338 F N 0.101 120.059 119.950 0.014 0.000 2.540 338 F HA 0.404 4.930 4.527 -0.001 0.000 0.317 338 F C 0.282 176.067 175.800 -0.024 0.000 1.104 338 F CA -0.975 57.036 58.000 0.017 0.000 0.913 338 F CB 2.727 41.726 39.000 -0.002 0.000 1.170 338 F HN 0.140 nan 8.300 nan 0.000 0.450 339 Q N 4.174 124.080 119.800 0.176 0.000 2.303 339 Q HA 0.506 4.846 4.340 -0.001 0.000 0.257 339 Q C -1.156 174.878 176.000 0.057 0.000 0.941 339 Q CA -0.486 55.369 55.803 0.087 0.000 0.931 339 Q CB 2.049 30.845 28.738 0.097 0.000 1.215 339 Q HN 0.519 nan 8.270 nan 0.000 0.437 340 L N 4.377 125.642 121.223 0.070 0.000 2.341 340 L HA 0.603 4.942 4.340 -0.001 0.000 0.278 340 L C -0.587 176.330 176.870 0.079 0.000 1.005 340 L CA -0.553 54.317 54.840 0.051 0.000 0.818 340 L CB 1.382 43.478 42.059 0.062 0.000 1.259 340 L HN 0.504 nan 8.230 nan 0.000 0.418 341 I N 4.259 124.891 120.570 0.103 0.000 2.447 341 I HA 0.368 4.538 4.170 -0.001 0.000 0.287 341 I C -2.271 173.951 176.117 0.174 0.000 1.023 341 I CA -2.074 59.329 61.300 0.172 0.000 1.083 341 I CB 2.433 40.557 38.000 0.208 0.000 1.245 341 I HN 0.303 nan 8.210 nan 0.000 0.434 342 P HA 0.027 nan 4.420 nan 0.000 0.269 342 P C 0.557 177.922 177.300 0.109 0.000 1.215 342 P CA -0.036 63.100 63.100 0.060 0.000 0.780 342 P CB 0.864 32.593 31.700 0.048 0.000 0.898 343 E N 1.950 122.135 120.200 -0.026 0.000 2.085 343 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 343 E C 1.464 178.161 176.600 0.162 0.000 0.994 343 E CA 1.163 57.555 56.400 -0.013 0.000 0.801 343 E CB -0.014 29.598 29.700 -0.146 0.000 0.743 343 E HN 0.503 nan 8.360 nan 0.000 0.453 344 E N 0.163 120.427 120.200 0.106 0.000 2.409 344 E HA -0.178 4.172 4.350 -0.001 0.000 0.198 344 E C 0.319 176.994 176.600 0.125 0.000 1.024 344 E CA 0.869 57.339 56.400 0.117 0.000 0.861 344 E CB 0.039 29.782 29.700 0.072 0.000 0.788 344 E HN 0.241 nan 8.360 nan 0.000 0.521 345 D N 1.162 121.643 120.400 0.134 0.000 2.388 345 D HA 0.015 4.654 4.640 -0.001 0.000 0.221 345 D C 1.277 177.649 176.300 0.120 0.000 1.133 345 D CA -0.018 54.043 54.000 0.101 0.000 0.831 345 D CB 0.243 41.108 40.800 0.108 0.000 0.962 345 D HN 0.400 nan 8.370 nan 0.000 0.502 346 E N -0.195 120.057 120.200 0.086 0.000 2.097 346 E HA -0.189 4.161 4.350 -0.001 0.000 0.196 346 E C 0.461 176.840 176.600 -0.368 0.000 1.000 346 E CA 1.108 57.375 56.400 -0.223 0.000 0.804 346 E CB 0.048 29.519 29.700 -0.381 0.000 0.740 346 E HN 0.250 nan 8.360 nan 0.000 0.454 347 F N -0.327 119.633 119.950 0.016 0.000 2.647 347 F HA 0.274 4.801 4.527 -0.001 0.000 0.300 347 F C 1.300 177.042 175.800 -0.097 0.000 1.106 347 F CA -0.260 57.725 58.000 -0.026 0.000 1.313 347 F CB 0.623 39.614 39.000 -0.015 0.000 1.007 347 F HN -0.179 nan 8.300 nan 0.000 0.536 348 K N 0.033 120.388 120.400 -0.075 0.000 2.444 348 K HA 0.119 4.439 4.320 -0.001 0.000 0.193 348 K C -0.158 176.057 176.600 -0.641 0.000 1.024 348 K CA 0.308 56.389 56.287 -0.343 0.000 1.077 348 K CB 0.161 32.397 32.500 -0.439 0.000 0.833 348 K HN 0.149 nan 8.250 nan 0.000 0.517 349 F N 0.876 120.663 119.950 -0.271 0.000 2.461 349 F HA 0.074 4.601 4.527 -0.001 0.000 0.332 349 F C 1.282 176.873 175.800 -0.348 0.000 1.073 349 F CA -1.125 56.605 58.000 -0.450 0.000 1.017 349 F CB 0.561 38.889 39.000 -1.121 0.000 1.301 349 F HN -0.021 nan 8.300 nan 0.000 0.492 350 D N -0.714 119.657 120.400 -0.048 0.000 2.328 350 D HA 0.057 4.696 4.640 -0.001 0.000 0.226 350 D C -0.457 175.931 176.300 0.147 0.000 1.066 350 D CA 0.171 54.214 54.000 0.072 0.000 0.861 350 D CB -0.830 40.054 40.800 0.140 0.000 0.912 350 D HN 0.230 nan 8.370 nan 0.000 0.521 351 F N -1.629 118.405 119.950 0.142 0.000 2.593 351 F HA 0.521 5.047 4.527 -0.001 0.000 0.320 351 F C -0.217 175.578 175.800 -0.008 0.000 1.060 351 F CA -1.780 56.230 58.000 0.016 0.000 0.940 351 F CB 0.970 39.946 39.000 -0.039 0.000 1.268 351 F HN -0.345 nan 8.300 nan 0.000 0.475 352 D N 1.800 122.237 120.400 0.062 0.000 2.351 352 D HA 0.181 4.821 4.640 -0.001 0.000 0.251 352 D C 0.983 177.239 176.300 -0.072 0.000 1.137 352 D CA 0.011 53.987 54.000 -0.041 0.000 0.879 352 D CB 1.452 42.241 40.800 -0.017 0.000 1.181 352 D HN 0.754 nan 8.370 nan 0.000 0.448 353 L N 3.422 124.534 121.223 -0.185 0.000 2.275 353 L HA -0.109 4.231 4.340 -0.001 0.000 0.215 353 L C 2.004 178.739 176.870 -0.226 0.000 1.119 353 L CA 0.608 55.318 54.840 -0.218 0.000 0.790 353 L CB -0.091 41.706 42.059 -0.437 0.000 0.919 353 L HN 0.429 nan 8.230 nan 0.000 0.443 354 L N -0.891 120.214 121.223 -0.196 0.000 2.591 354 L HA 0.047 4.387 4.340 -0.001 0.000 0.228 354 L C 0.430 177.205 176.870 -0.158 0.000 1.133 354 L CA -0.105 54.678 54.840 -0.095 0.000 0.880 354 L CB -0.339 41.764 42.059 0.074 0.000 1.033 354 L HN 0.104 nan 8.230 nan 0.000 0.450 355 D N 1.850 121.926 120.400 -0.541 0.000 2.347 355 D HA 0.114 4.753 4.640 -0.001 0.000 0.235 355 D C -1.573 174.493 176.300 -0.390 0.000 1.149 355 D CA -2.322 51.121 54.000 -0.927 0.000 0.850 355 D CB 1.562 41.561 40.800 -1.336 0.000 1.061 355 D HN -0.076 nan 8.370 nan 0.000 0.487 356 P HA -0.029 nan 4.420 nan 0.000 0.245 356 P C 0.762 177.968 177.300 -0.158 0.000 1.212 356 P CA 0.536 63.562 63.100 -0.124 0.000 0.774 356 P CB -0.027 31.683 31.700 0.017 0.000 0.999 357 T N -4.476 109.972 114.554 -0.176 0.000 3.086 357 T HA 0.172 4.522 4.350 -0.001 0.000 0.250 357 T C 0.714 175.324 174.700 -0.149 0.000 1.074 357 T CA -0.132 61.880 62.100 -0.147 0.000 0.988 357 T CB -0.132 68.698 68.868 -0.064 0.000 0.988 357 T HN -0.148 nan 8.240 nan 0.000 0.530 358 K N 2.077 122.297 120.400 -0.299 0.000 2.221 358 K HA 0.587 4.907 4.320 -0.001 0.000 0.258 358 K C -0.379 176.041 176.600 -0.299 0.000 0.944 358 K CA -0.851 55.144 56.287 -0.488 0.000 0.823 358 K CB 2.214 34.305 32.500 -0.683 0.000 1.113 358 K HN 0.290 nan 8.250 nan 0.000 0.431 359 L N -0.382 120.797 121.223 -0.073 0.000 2.358 359 L HA 0.667 5.007 4.340 -0.001 0.000 0.268 359 L C -0.051 176.643 176.870 -0.293 0.000 1.032 359 L CA -0.523 54.228 54.840 -0.148 0.000 0.805 359 L CB 0.353 42.395 42.059 -0.028 0.000 1.253 359 L HN 0.446 nan 8.230 nan 0.000 0.452 360 I N 1.532 122.018 120.570 -0.140 0.000 2.330 360 I HA 0.373 4.543 4.170 -0.001 0.000 0.286 360 I C -2.138 173.999 176.117 0.033 0.000 1.025 360 I CA -1.753 59.515 61.300 -0.053 0.000 1.197 360 I CB 1.170 39.159 38.000 -0.018 0.000 1.358 360 I HN 0.451 nan 8.210 nan 0.000 0.467 361 P HA 0.022 nan 4.420 nan 0.000 0.265 361 P C 0.356 177.724 177.300 0.112 0.000 1.193 361 P CA 0.121 63.269 63.100 0.081 0.000 0.765 361 P CB 0.626 32.366 31.700 0.067 0.000 0.823 362 E N 1.710 121.984 120.200 0.122 0.000 2.204 362 E HA -0.189 4.161 4.350 -0.001 0.000 0.195 362 E C 1.350 178.004 176.600 0.090 0.000 0.990 362 E CA 0.800 57.260 56.400 0.101 0.000 0.821 362 E CB 0.002 29.765 29.700 0.105 0.000 0.750 362 E HN 0.519 nan 8.360 nan 0.000 0.477 363 E N 0.352 120.607 120.200 0.091 0.000 2.204 363 E HA -0.129 4.220 4.350 -0.001 0.000 0.194 363 E C 2.046 178.709 176.600 0.106 0.000 0.989 363 E CA 0.697 57.147 56.400 0.084 0.000 0.824 363 E CB 0.108 29.850 29.700 0.071 0.000 0.756 363 E HN 0.376 nan 8.360 nan 0.000 0.477 364 L N -0.381 120.928 121.223 0.143 0.000 2.221 364 L HA 0.062 4.401 4.340 -0.001 0.000 0.202 364 L C 0.681 177.670 176.870 0.198 0.000 1.074 364 L CA 0.451 55.412 54.840 0.203 0.000 0.795 364 L CB 0.407 42.661 42.059 0.325 0.000 0.960 364 L HN -0.204 nan 8.230 nan 0.000 0.458 365 V N 1.599 121.607 119.914 0.155 0.000 2.445 365 V HA 0.313 4.433 4.120 -0.001 0.000 0.283 365 V C -2.350 173.791 176.094 0.078 0.000 1.014 365 V CA -1.417 60.958 62.300 0.125 0.000 0.852 365 V CB 1.575 33.461 31.823 0.105 0.000 1.021 365 V HN -0.028 nan 8.190 nan 0.000 0.435 366 P HA 0.192 nan 4.420 nan 0.000 0.272 366 P C -0.386 176.914 177.300 -0.001 0.000 1.230 366 P CA -0.047 63.073 63.100 0.034 0.000 0.788 366 P CB 1.296 33.019 31.700 0.039 0.000 0.949 367 V N 2.940 122.823 119.914 -0.052 0.000 2.408 367 V HA 0.119 4.238 4.120 -0.001 0.000 0.267 367 V C 0.866 176.946 176.094 -0.023 0.000 1.047 367 V CA -0.074 62.160 62.300 -0.110 0.000 0.937 367 V CB 0.229 31.893 31.823 -0.264 0.000 0.999 367 V HN 0.550 nan 8.190 nan 0.000 0.472 368 Q N 5.652 125.460 119.800 0.014 0.000 2.279 368 Q HA 0.323 4.663 4.340 -0.001 0.000 0.256 368 Q C -0.057 175.942 176.000 -0.002 0.000 0.937 368 Q CA -0.626 55.190 55.803 0.022 0.000 0.933 368 Q CB 0.744 29.508 28.738 0.044 0.000 1.189 368 Q HN 0.647 nan 8.270 nan 0.000 0.417 369 R N 2.422 122.944 120.500 0.038 0.000 2.491 369 R HA 0.094 4.433 4.340 -0.001 0.000 0.283 369 R C 0.292 176.631 176.300 0.065 0.000 1.072 369 R CA -0.243 55.921 56.100 0.106 0.000 1.048 369 R CB 0.859 31.288 30.300 0.215 0.000 0.983 369 R HN 0.531 nan 8.270 nan 0.000 0.450 370 V N 0.880 120.751 119.914 -0.072 0.000 3.137 370 V HA 0.312 4.431 4.120 -0.001 0.000 0.236 370 V C 0.733 176.587 176.094 -0.400 0.000 1.260 370 V CA 0.966 63.099 62.300 -0.278 0.000 1.244 370 V CB 1.022 32.431 31.823 -0.689 0.000 1.016 370 V HN 1.012 nan 8.190 nan 0.000 0.477 371 G N -0.279 108.172 108.800 -0.581 0.000 2.441 371 G HA2 0.500 4.459 3.960 -0.001 0.000 0.294 371 G HA3 0.500 4.459 3.960 -0.001 0.000 0.294 371 G C -1.888 172.659 174.900 -0.588 0.000 1.393 371 G CA -0.546 43.937 45.100 -1.029 0.000 0.796 371 G HN 0.058 nan 8.290 nan 0.000 0.494 372 K N -0.330 119.749 120.400 -0.536 0.000 2.324 372 K HA 0.726 5.045 4.320 -0.001 0.000 0.253 372 K C -0.851 175.796 176.600 0.079 0.000 0.932 372 K CA -0.785 55.480 56.287 -0.036 0.000 0.799 372 K CB 1.992 34.513 32.500 0.034 0.000 1.154 372 K HN 0.570 nan 8.250 nan 0.000 0.425 373 M N 4.785 124.554 119.600 0.283 0.000 2.311 373 M HA 0.392 4.872 4.480 -0.001 0.000 0.325 373 M C -1.751 174.536 176.300 -0.023 0.000 1.061 373 M CA -0.764 54.644 55.300 0.179 0.000 0.957 373 M CB 1.634 34.369 32.600 0.225 0.000 1.646 373 M HN 0.347 nan 8.290 nan 0.000 0.434 374 V N 5.786 125.520 119.914 -0.301 0.000 2.487 374 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 374 V C -0.922 175.041 176.094 -0.219 0.000 1.028 374 V CA -0.833 61.302 62.300 -0.274 0.000 0.860 374 V CB 1.701 33.243 31.823 -0.469 0.000 0.991 374 V HN 0.669 nan 8.190 nan 0.000 0.427 375 L N 5.842 127.026 121.223 -0.064 0.000 2.255 375 L HA 0.478 4.817 4.340 -0.001 0.000 0.289 375 L C 0.740 177.530 176.870 -0.134 0.000 1.046 375 L CA 0.173 54.978 54.840 -0.058 0.000 0.816 375 L CB 0.957 43.029 42.059 0.022 0.000 1.197 375 L HN 0.869 nan 8.230 nan 0.000 0.427 376 N N 2.232 120.762 118.700 -0.282 0.000 2.194 376 N HA 0.154 4.893 4.740 -0.001 0.000 0.231 376 N C 0.076 175.403 175.510 -0.304 0.000 1.247 376 N CA -0.256 52.373 53.050 -0.701 0.000 0.884 376 N CB 0.707 38.490 38.487 -1.173 0.000 1.146 376 N HN 0.399 nan 8.380 nan 0.000 0.516 377 R N 0.172 120.604 120.500 -0.113 0.000 2.566 377 R HA 0.320 4.660 4.340 -0.001 0.000 0.271 377 R C -1.279 174.978 176.300 -0.072 0.000 1.071 377 R CA -0.564 55.489 56.100 -0.078 0.000 0.915 377 R CB 1.320 31.580 30.300 -0.066 0.000 1.228 377 R HN 0.058 nan 8.270 nan 0.000 0.449 378 N N 2.974 121.518 118.700 -0.260 0.000 2.445 378 N HA 0.312 5.052 4.740 -0.001 0.000 0.264 378 N C -2.314 173.138 175.510 -0.096 0.000 1.227 378 N CA -1.283 51.487 53.050 -0.468 0.000 0.963 378 N CB 0.665 38.232 38.487 -1.533 0.000 1.188 378 N HN 0.320 nan 8.380 nan 0.000 0.491 379 P HA 0.112 nan 4.420 nan 0.000 0.274 379 P C 0.178 177.658 177.300 0.300 0.000 1.260 379 P CA -0.072 63.218 63.100 0.317 0.000 0.793 379 P CB 0.966 32.890 31.700 0.373 0.000 1.048 380 D N -1.252 119.305 120.400 0.262 0.000 2.259 380 D HA -0.009 4.630 4.640 -0.001 0.000 0.216 380 D C 0.359 176.834 176.300 0.291 0.000 0.961 380 D CA 1.291 55.438 54.000 0.246 0.000 0.878 380 D CB 0.207 41.095 40.800 0.147 0.000 1.009 380 D HN 0.376 nan 8.370 nan 0.000 0.490 381 N N -0.208 118.656 118.700 0.272 0.000 2.410 381 N HA 0.009 4.748 4.740 -0.001 0.000 0.287 381 N C -0.016 175.694 175.510 0.333 0.000 1.044 381 N CA -0.344 52.877 53.050 0.285 0.000 0.881 381 N CB 1.599 40.222 38.487 0.225 0.000 1.405 381 N HN -0.171 nan 8.380 nan 0.000 0.490 382 F N 4.213 124.309 119.950 0.242 0.000 2.095 382 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 382 F C 1.670 177.597 175.800 0.211 0.000 1.104 382 F CA 1.479 59.623 58.000 0.239 0.000 1.232 382 F CB -0.099 39.016 39.000 0.191 0.000 0.987 382 F HN 0.613 nan 8.300 nan 0.000 0.475 383 F N 0.786 120.953 119.950 0.362 0.000 2.075 383 F HA -0.132 4.395 4.527 -0.001 0.000 0.297 383 F C 2.342 178.191 175.800 0.082 0.000 1.113 383 F CA 1.781 59.916 58.000 0.226 0.000 1.218 383 F CB -0.977 38.143 39.000 0.201 0.000 0.984 383 F HN -0.015 nan 8.300 nan 0.000 0.472 384 A N -0.301 122.645 122.820 0.209 0.000 1.902 384 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 384 A C 2.078 179.589 177.584 -0.121 0.000 1.181 384 A CA 2.130 54.198 52.037 0.051 0.000 0.623 384 A CB -0.696 18.386 19.000 0.138 0.000 0.818 384 A HN 0.609 nan 8.150 nan 0.000 0.443 385 E N -1.546 118.595 120.200 -0.098 0.000 2.175 385 E HA -0.052 4.298 4.350 -0.001 0.000 0.195 385 E C 1.971 178.465 176.600 -0.176 0.000 0.934 385 E CA 0.382 56.666 56.400 -0.193 0.000 0.870 385 E CB -0.120 29.520 29.700 -0.100 0.000 0.838 385 E HN 0.560 nan 8.360 nan 0.000 0.474 386 N N 1.405 119.994 118.700 -0.184 0.000 2.176 386 N HA -0.164 4.576 4.740 -0.001 0.000 0.187 386 N C 1.835 177.168 175.510 -0.295 0.000 1.043 386 N CA 1.374 54.267 53.050 -0.261 0.000 0.851 386 N CB 0.029 37.967 38.487 -0.914 0.000 1.018 386 N HN -0.070 nan 8.380 nan 0.000 0.436 387 E N 0.840 120.787 120.200 -0.421 0.000 2.097 387 E HA -0.140 4.209 4.350 -0.001 0.000 0.196 387 E C 1.675 178.079 176.600 -0.328 0.000 1.000 387 E CA 1.596 57.823 56.400 -0.289 0.000 0.804 387 E CB -0.184 29.362 29.700 -0.257 0.000 0.740 387 E HN 0.511 nan 8.360 nan 0.000 0.454 388 Q N -0.323 119.219 119.800 -0.430 0.000 2.444 388 Q HA 0.233 4.573 4.340 -0.001 0.000 0.206 388 Q C 0.016 175.890 176.000 -0.210 0.000 0.948 388 Q CA 0.196 55.803 55.803 -0.326 0.000 0.946 388 Q CB 0.446 28.974 28.738 -0.350 0.000 1.027 388 Q HN 0.217 nan 8.270 nan 0.000 0.513 389 A N 1.199 123.914 122.820 -0.175 0.000 2.462 389 A HA 0.470 4.790 4.320 -0.001 0.000 0.243 389 A C -0.127 177.344 177.584 -0.187 0.000 1.076 389 A CA 0.154 52.072 52.037 -0.199 0.000 0.773 389 A CB 0.288 19.254 19.000 -0.057 0.000 1.010 389 A HN 0.273 nan 8.150 nan 0.000 0.493 390 A N 2.228 124.867 122.820 -0.302 0.000 2.340 390 A HA 0.686 5.006 4.320 -0.001 0.000 0.297 390 A C -0.783 176.654 177.584 -0.245 0.000 1.195 390 A CA -0.413 51.509 52.037 -0.192 0.000 0.769 390 A CB 0.275 19.158 19.000 -0.194 0.000 1.163 390 A HN 0.628 nan 8.150 nan 0.000 0.472 391 F N 0.812 120.749 119.950 -0.023 0.000 2.432 391 F HA 0.661 5.187 4.527 -0.001 0.000 0.329 391 F C 0.406 176.139 175.800 -0.112 0.000 1.076 391 F CA -0.073 57.887 58.000 -0.067 0.000 1.018 391 F CB 1.884 40.804 39.000 -0.134 0.000 1.201 391 F HN 0.725 nan 8.300 nan 0.000 0.489 392 H N 2.942 121.833 119.070 -0.299 0.000 3.083 392 H HA 0.268 4.823 4.556 -0.001 0.000 0.339 392 H C -2.376 172.568 175.328 -0.639 0.000 1.020 392 H CA -1.773 53.843 56.048 -0.719 0.000 1.360 392 H CB 2.510 31.699 29.762 -0.955 0.000 1.811 392 H HN 0.166 nan 8.280 nan 0.000 0.493 393 P HA -0.038 nan 4.420 nan 0.000 0.225 393 P C 1.192 178.356 177.300 -0.226 0.000 1.148 393 P CA 1.387 64.184 63.100 -0.505 0.000 0.779 393 P CB 0.150 31.599 31.700 -0.419 0.000 0.780 394 G N -1.191 107.274 108.800 -0.557 0.000 2.598 394 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.215 394 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.215 394 G C 0.436 175.560 174.900 0.374 0.000 1.131 394 G CA -0.006 45.134 45.100 0.067 0.000 0.785 394 G HN 0.427 nan 8.290 nan 0.000 0.539 395 H N 0.810 120.014 119.070 0.224 0.000 3.118 395 H HA 0.337 4.893 4.556 -0.001 0.000 0.266 395 H C 0.582 176.013 175.328 0.173 0.000 1.465 395 H CA -0.777 55.363 56.048 0.153 0.000 1.460 395 H CB -0.021 29.790 29.762 0.083 0.000 1.661 395 H HN 0.367 nan 8.280 nan 0.000 0.516 396 I N -0.185 120.510 120.570 0.208 0.000 3.217 396 I HA 0.683 4.853 4.170 -0.001 0.000 0.308 396 I C -0.111 175.991 176.117 -0.025 0.000 1.091 396 I CA -1.364 59.974 61.300 0.063 0.000 1.013 396 I CB 1.818 39.731 38.000 -0.144 0.000 1.250 396 I HN 0.137 nan 8.210 nan 0.000 0.496 397 V N -2.259 117.624 119.914 -0.052 0.000 3.102 397 V HA 0.669 4.789 4.120 -0.001 0.000 0.312 397 V C -2.851 173.348 176.094 0.174 0.000 1.135 397 V CA -2.536 59.797 62.300 0.055 0.000 1.022 397 V CB 0.994 32.829 31.823 0.020 0.000 1.056 397 V HN 0.643 nan 8.190 nan 0.000 0.436 398 P HA 0.354 nan 4.420 nan 0.000 0.262 398 P C 0.894 178.192 177.300 -0.002 0.000 1.182 398 P CA 1.920 65.085 63.100 0.107 0.000 0.761 398 P CB 0.568 32.309 31.700 0.068 0.000 0.795 399 G N 1.804 110.558 108.800 -0.077 0.000 2.218 399 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.216 399 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.216 399 G C -0.270 174.549 174.900 -0.135 0.000 0.994 399 G CA -0.435 44.601 45.100 -0.106 0.000 0.637 399 G HN 0.455 nan 8.290 nan 0.000 0.505 400 L N 0.127 121.282 121.223 -0.113 0.000 2.323 400 L HA 0.909 5.248 4.340 -0.001 0.000 0.265 400 L C -0.625 176.192 176.870 -0.088 0.000 1.012 400 L CA -1.038 53.715 54.840 -0.146 0.000 0.820 400 L CB 2.126 44.026 42.059 -0.266 0.000 1.334 400 L HN 0.102 nan 8.230 nan 0.000 0.427 401 D N -0.505 119.829 120.400 -0.110 0.000 2.639 401 D HA 0.439 5.079 4.640 -0.001 0.000 0.271 401 D C -1.218 175.036 176.300 -0.077 0.000 1.254 401 D CA -0.352 53.559 54.000 -0.149 0.000 0.810 401 D CB 1.900 42.689 40.800 -0.018 0.000 1.351 401 D HN 0.108 nan 8.370 nan 0.000 0.427 402 F N -0.132 119.952 119.950 0.224 0.000 2.348 402 F HA 0.524 5.051 4.527 -0.001 0.000 0.308 402 F C 1.521 177.351 175.800 0.051 0.000 1.175 402 F CA -0.198 57.869 58.000 0.112 0.000 1.080 402 F CB 1.163 40.200 39.000 0.061 0.000 1.341 402 F HN 0.210 nan 8.300 nan 0.000 0.518 403 T N -3.197 111.457 114.554 0.167 0.000 2.831 403 T HA 0.309 4.659 4.350 -0.001 0.000 0.287 403 T C -0.119 174.606 174.700 0.042 0.000 1.070 403 T CA -1.002 61.167 62.100 0.115 0.000 1.010 403 T CB 1.246 70.152 68.868 0.064 0.000 1.264 403 T HN 0.345 nan 8.240 nan 0.000 0.532 404 N N 1.190 119.917 118.700 0.045 0.000 2.370 404 N HA 0.072 4.812 4.740 -0.001 0.000 0.198 404 N C -0.008 175.500 175.510 -0.003 0.000 1.156 404 N CA 0.037 53.098 53.050 0.019 0.000 0.839 404 N CB -0.389 38.126 38.487 0.048 0.000 0.989 404 N HN 0.690 nan 8.380 nan 0.000 0.468 405 D N 2.170 122.549 120.400 -0.034 0.000 2.581 405 D HA -0.070 4.570 4.640 -0.001 0.000 0.238 405 D C -1.363 174.920 176.300 -0.029 0.000 1.145 405 D CA -0.972 53.030 54.000 0.003 0.000 0.866 405 D CB 1.322 42.068 40.800 -0.090 0.000 1.151 405 D HN 0.139 nan 8.370 nan 0.000 0.500 406 P HA -0.108 nan 4.420 nan 0.000 0.229 406 P C 1.521 178.831 177.300 0.017 0.000 1.160 406 P CA 0.168 63.280 63.100 0.020 0.000 0.777 406 P CB 0.413 32.124 31.700 0.020 0.000 0.814 407 L N -0.328 120.922 121.223 0.045 0.000 2.102 407 L HA 0.018 4.357 4.340 -0.001 0.000 0.202 407 L C 2.371 179.162 176.870 -0.132 0.000 1.076 407 L CA 1.247 56.110 54.840 0.038 0.000 0.761 407 L CB -1.577 40.586 42.059 0.174 0.000 0.921 407 L HN -0.170 nan 8.230 nan 0.000 0.444 408 L N -0.555 120.422 121.223 -0.410 0.000 2.042 408 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 408 L C 2.429 179.050 176.870 -0.415 0.000 1.076 408 L CA 1.762 56.152 54.840 -0.750 0.000 0.749 408 L CB -0.874 40.469 42.059 -1.194 0.000 0.893 408 L HN 0.372 nan 8.230 nan 0.000 0.432 409 Q N -0.180 119.447 119.800 -0.288 0.000 2.096 409 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 409 Q C 2.098 178.015 176.000 -0.138 0.000 0.982 409 Q CA 1.757 57.430 55.803 -0.216 0.000 0.850 409 Q CB -0.734 27.926 28.738 -0.131 0.000 0.901 409 Q HN 0.712 nan 8.270 nan 0.000 0.422 410 G N 0.571 109.321 108.800 -0.084 0.000 2.421 410 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 410 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 410 G C 1.517 176.432 174.900 0.026 0.000 1.143 410 G CA 0.170 45.268 45.100 -0.003 0.000 0.784 410 G HN 0.242 nan 8.290 nan 0.000 0.541 411 R N -0.081 120.382 120.500 -0.062 0.000 2.105 411 R HA 0.031 4.371 4.340 -0.001 0.000 0.239 411 R C 2.515 178.848 176.300 0.056 0.000 1.135 411 R CA 0.846 56.957 56.100 0.018 0.000 0.967 411 R CB -0.471 29.808 30.300 -0.036 0.000 0.861 411 R HN 0.341 nan 8.270 nan 0.000 0.442 412 L N -0.385 120.778 121.223 -0.100 0.000 2.127 412 L HA -0.213 4.126 4.340 -0.001 0.000 0.211 412 L C 2.282 179.263 176.870 0.186 0.000 1.089 412 L CA 1.190 55.978 54.840 -0.086 0.000 0.757 412 L CB -0.462 41.433 42.059 -0.273 0.000 0.899 412 L HN 0.165 nan 8.230 nan 0.000 0.434 413 F N 0.039 120.018 119.950 0.049 0.000 2.149 413 F HA -0.149 4.378 4.527 -0.001 0.000 0.294 413 F C 2.790 178.654 175.800 0.106 0.000 1.095 413 F CA 1.472 59.513 58.000 0.068 0.000 1.276 413 F CB -0.298 38.715 39.000 0.022 0.000 1.023 413 F HN -0.068 nan 8.300 nan 0.000 0.480 414 S N -0.642 115.060 115.700 0.003 0.000 2.368 414 S HA -0.229 4.241 4.470 -0.001 0.000 0.225 414 S C 2.086 176.580 174.600 -0.178 0.000 1.030 414 S CA 1.634 59.741 58.200 -0.155 0.000 0.999 414 S CB -0.776 62.372 63.200 -0.087 0.000 0.844 414 S HN 0.543 nan 8.310 nan 0.000 0.459 415 Y N 1.543 121.838 120.300 -0.008 0.000 2.200 415 Y HA -0.085 4.464 4.550 -0.001 0.000 0.290 415 Y C 3.046 178.789 175.900 -0.262 0.000 1.137 415 Y CA 1.617 59.735 58.100 0.030 0.000 1.163 415 Y CB -0.968 37.864 38.460 0.621 0.000 0.988 415 Y HN 0.250 nan 8.280 nan 0.000 0.518 416 T N -0.518 113.865 114.554 -0.285 0.000 2.708 416 T HA -0.225 4.125 4.350 -0.001 0.000 0.266 416 T C 1.429 175.971 174.700 -0.263 0.000 1.037 416 T CA 1.746 63.644 62.100 -0.337 0.000 1.146 416 T CB -0.483 68.215 68.868 -0.284 0.000 0.865 416 T HN 0.359 nan 8.240 nan 0.000 0.435 417 D N 0.450 120.635 120.400 -0.359 0.000 2.097 417 D HA -0.108 4.531 4.640 -0.001 0.000 0.195 417 D C 2.312 178.486 176.300 -0.210 0.000 0.989 417 D CA 1.522 55.325 54.000 -0.328 0.000 0.827 417 D CB -0.474 39.965 40.800 -0.601 0.000 0.966 417 D HN 0.242 nan 8.370 nan 0.000 0.456 418 T N -1.009 113.415 114.554 -0.217 0.000 2.833 418 T HA -0.134 4.215 4.350 -0.001 0.000 0.269 418 T C 1.778 176.374 174.700 -0.172 0.000 1.054 418 T CA 1.361 63.365 62.100 -0.160 0.000 1.135 418 T CB -0.174 68.597 68.868 -0.161 0.000 0.869 418 T HN 0.238 nan 8.240 nan 0.000 0.466 419 Q N -0.021 119.616 119.800 -0.271 0.000 2.297 419 Q HA 0.034 4.373 4.340 -0.001 0.000 0.204 419 Q C 2.132 177.994 176.000 -0.230 0.000 0.962 419 Q CA 0.652 56.224 55.803 -0.384 0.000 0.879 419 Q CB -0.035 28.207 28.738 -0.826 0.000 0.947 419 Q HN 0.461 nan 8.270 nan 0.000 0.462 420 I N 0.671 121.180 120.570 -0.101 0.000 2.226 420 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 420 I C 2.420 178.547 176.117 0.017 0.000 1.100 420 I CA 1.803 63.124 61.300 0.035 0.000 1.374 420 I CB -1.376 36.648 38.000 0.040 0.000 1.057 420 I HN 0.232 nan 8.210 nan 0.000 0.413 421 S N 0.338 116.029 115.700 -0.016 0.000 2.421 421 S HA -0.074 4.396 4.470 -0.001 0.000 0.224 421 S C 2.154 176.751 174.600 -0.005 0.000 1.035 421 S CA 0.177 58.378 58.200 0.001 0.000 0.953 421 S CB -0.330 62.872 63.200 0.003 0.000 0.810 421 S HN 0.337 nan 8.310 nan 0.000 0.497 422 R N 0.974 121.452 120.500 -0.036 0.000 2.096 422 R HA 0.160 4.499 4.340 -0.001 0.000 0.235 422 R C 1.310 177.596 176.300 -0.022 0.000 1.127 422 R CA 1.346 57.427 56.100 -0.031 0.000 0.968 422 R CB -0.260 30.003 30.300 -0.061 0.000 0.861 422 R HN 0.461 nan 8.270 nan 0.000 0.440 423 L N -0.440 120.763 121.223 -0.033 0.000 2.818 423 L HA 0.340 4.679 4.340 -0.001 0.000 0.243 423 L C 0.798 177.696 176.870 0.047 0.000 1.185 423 L CA 0.233 55.073 54.840 -0.000 0.000 0.988 423 L CB 1.012 43.064 42.059 -0.012 0.000 1.292 423 L HN 0.531 nan 8.230 nan 0.000 0.519 424 G N 0.114 108.942 108.800 0.046 0.000 2.155 424 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.257 424 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.257 424 G C 0.451 175.397 174.900 0.077 0.000 0.983 424 G CA 0.136 45.270 45.100 0.056 0.000 0.676 424 G HN 0.783 nan 8.290 nan 0.000 0.528 425 G N -1.841 107.026 108.800 0.112 0.000 2.343 425 G HA2 0.608 4.567 3.960 -0.001 0.000 0.289 425 G HA3 0.608 4.567 3.960 -0.001 0.000 0.289 425 G C -2.205 172.814 174.900 0.199 0.000 1.295 425 G CA 0.352 45.525 45.100 0.121 0.000 0.869 425 G HN 0.410 nan 8.290 nan 0.000 0.522 426 P HA 0.134 nan 4.420 nan 0.000 0.255 426 P C 0.280 177.513 177.300 -0.110 0.000 1.248 426 P CA 0.338 63.482 63.100 0.073 0.000 0.807 426 P CB 0.259 31.986 31.700 0.046 0.000 1.150 427 N N 0.480 119.135 118.700 -0.075 0.000 2.378 427 N HA 0.067 4.807 4.740 -0.001 0.000 0.243 427 N C 0.953 176.263 175.510 -0.335 0.000 1.137 427 N CA -0.187 52.718 53.050 -0.241 0.000 0.862 427 N CB -0.525 37.882 38.487 -0.134 0.000 1.116 427 N HN 0.238 nan 8.380 nan 0.000 0.499 428 F N 0.686 120.599 119.950 -0.062 0.000 2.451 428 F HA -0.052 4.474 4.527 -0.001 0.000 0.299 428 F C 2.167 177.894 175.800 -0.121 0.000 1.101 428 F CA 0.709 58.655 58.000 -0.091 0.000 1.436 428 F CB -0.800 38.171 39.000 -0.049 0.000 1.074 428 F HN 0.178 nan 8.300 nan 0.000 0.553 429 H N 0.359 119.148 119.070 -0.468 0.000 2.559 429 H HA 0.097 4.653 4.556 -0.001 0.000 0.273 429 H C 0.755 175.958 175.328 -0.208 0.000 1.000 429 H CA 1.243 57.101 56.048 -0.317 0.000 1.195 429 H CB -0.681 28.760 29.762 -0.535 0.000 1.368 429 H HN 0.527 nan 8.280 nan 0.000 0.592 430 E N 0.988 120.802 120.200 -0.643 0.000 2.447 430 E HA 0.189 4.539 4.350 -0.001 0.000 0.195 430 E C 0.339 176.832 176.600 -0.179 0.000 1.028 430 E CA -0.280 55.896 56.400 -0.373 0.000 0.876 430 E CB 0.597 30.080 29.700 -0.362 0.000 0.885 430 E HN 0.417 nan 8.360 nan 0.000 0.500 431 I N 2.941 123.422 120.570 -0.148 0.000 2.598 431 I HA -0.050 4.120 4.170 -0.001 0.000 0.284 431 I C -1.547 174.512 176.117 -0.096 0.000 1.140 431 I CA -1.455 59.783 61.300 -0.103 0.000 1.420 431 I CB 0.517 38.467 38.000 -0.084 0.000 1.387 431 I HN -0.185 nan 8.210 nan 0.000 0.553 432 P HA -0.263 nan 4.420 nan 0.000 0.217 432 P C 1.731 178.961 177.300 -0.117 0.000 1.162 432 P CA 1.382 64.428 63.100 -0.089 0.000 0.901 432 P CB 0.162 31.816 31.700 -0.076 0.000 0.793 433 I N -0.861 119.611 120.570 -0.163 0.000 2.454 433 I HA -0.188 3.982 4.170 -0.001 0.000 0.254 433 I C 1.310 177.350 176.117 -0.127 0.000 1.156 433 I CA 1.698 62.853 61.300 -0.241 0.000 1.433 433 I CB -0.615 37.128 38.000 -0.429 0.000 1.082 433 I HN -0.102 nan 8.210 nan 0.000 0.432 434 N N 0.656 119.301 118.700 -0.092 0.000 2.412 434 N HA 0.046 4.785 4.740 -0.001 0.000 0.184 434 N C 0.239 175.766 175.510 0.028 0.000 1.101 434 N CA 0.169 53.197 53.050 -0.036 0.000 0.881 434 N CB -0.067 38.414 38.487 -0.009 0.000 0.969 434 N HN 0.382 nan 8.380 nan 0.000 0.459 435 R N 1.557 122.069 120.500 0.021 0.000 2.590 435 R HA 0.179 4.519 4.340 -0.001 0.000 0.274 435 R C -2.233 174.135 176.300 0.114 0.000 1.061 435 R CA -1.203 54.915 56.100 0.030 0.000 1.081 435 R CB -0.105 30.195 30.300 0.000 0.000 0.984 435 R HN 0.011 nan 8.270 nan 0.000 0.448 436 P HA 0.008 nan 4.420 nan 0.000 0.272 436 P C 0.463 177.833 177.300 0.116 0.000 1.223 436 P CA -0.064 63.115 63.100 0.132 0.000 0.784 436 P CB 0.723 32.460 31.700 0.061 0.000 0.923 437 T N -2.981 111.651 114.554 0.130 0.000 3.044 437 T HA 0.087 4.437 4.350 -0.001 0.000 0.250 437 T C 0.864 175.605 174.700 0.070 0.000 1.081 437 T CA -0.018 62.118 62.100 0.059 0.000 1.040 437 T CB -1.014 67.870 68.868 0.027 0.000 0.962 437 T HN 0.568 nan 8.240 nan 0.000 0.506 438 C N 1.141 120.497 119.300 0.092 0.000 2.347 438 C HA 0.794 5.254 4.460 -0.001 0.000 0.366 438 C C -2.454 172.590 174.990 0.090 0.000 1.241 438 C CA -2.528 56.542 59.018 0.087 0.000 2.360 438 C CB 0.116 27.913 27.740 0.094 0.000 2.290 438 C HN 0.159 nan 8.230 nan 0.000 0.587 439 P HA 0.295 nan 4.420 nan 0.000 0.269 439 P C -1.227 176.135 177.300 0.103 0.000 1.209 439 P CA 0.432 63.592 63.100 0.100 0.000 0.776 439 P CB -0.038 31.771 31.700 0.182 0.000 0.876 440 Y N 0.486 120.668 120.300 -0.198 0.000 2.361 440 Y HA 0.644 5.194 4.550 -0.001 0.000 0.328 440 Y C -1.490 174.102 175.900 -0.514 0.000 1.044 440 Y CA -0.914 57.057 58.100 -0.216 0.000 1.085 440 Y CB 1.277 39.632 38.460 -0.175 0.000 1.194 440 Y HN 0.423 nan 8.280 nan 0.000 0.438 441 H N 4.003 122.997 119.070 -0.126 0.000 2.966 441 H HA 0.528 5.084 4.556 -0.001 0.000 0.347 441 H C -1.160 174.064 175.328 -0.174 0.000 1.048 441 H CA -0.763 55.125 56.048 -0.266 0.000 1.295 441 H CB 1.595 31.226 29.762 -0.219 0.000 1.744 441 H HN 0.893 nan 8.280 nan 0.000 0.513 442 N N 0.525 119.131 118.700 -0.156 0.000 3.364 442 N HA 0.193 4.933 4.740 -0.001 0.000 0.294 442 N C -1.153 174.131 175.510 -0.377 0.000 1.562 442 N CA -0.951 51.969 53.050 -0.218 0.000 0.862 442 N CB 0.645 39.149 38.487 0.028 0.000 1.691 442 N HN 0.282 nan 8.380 nan 0.000 0.572 443 F N -0.370 119.620 119.950 0.067 0.000 2.641 443 F HA 0.359 4.885 4.527 -0.000 0.000 0.302 443 F C 0.437 176.276 175.800 0.066 0.000 1.098 443 F CA -0.356 57.678 58.000 0.056 0.000 1.318 443 F CB 0.144 39.172 39.000 0.047 0.000 1.035 443 F HN 0.142 nan 8.300 nan 0.000 0.551 444 Q N 1.589 121.493 119.800 0.173 0.000 2.352 444 Q HA 0.395 4.734 4.340 -0.001 0.000 0.260 444 Q C 0.055 176.127 176.000 0.120 0.000 0.976 444 Q CA -0.026 55.857 55.803 0.133 0.000 0.881 444 Q CB 1.020 29.812 28.738 0.090 0.000 1.235 444 Q HN 0.099 nan 8.270 nan 0.000 0.419 445 R N 1.661 122.225 120.500 0.107 0.000 2.836 445 R HA 0.376 4.716 4.340 -0.001 0.000 0.269 445 R C -0.629 175.715 176.300 0.074 0.000 1.010 445 R CA -0.678 55.476 56.100 0.091 0.000 0.930 445 R CB 1.106 31.462 30.300 0.093 0.000 1.218 445 R HN 0.711 nan 8.270 nan 0.000 0.473 446 D N -0.253 120.183 120.400 0.060 0.000 3.439 446 D HA -0.153 4.487 4.640 -0.001 0.000 0.238 446 D C 0.346 176.674 176.300 0.047 0.000 1.727 446 D CA 1.995 56.023 54.000 0.046 0.000 1.145 446 D CB -1.026 39.801 40.800 0.044 0.000 0.764 446 D HN 0.901 nan 8.370 nan 0.000 0.938 447 G N -1.465 107.361 108.800 0.043 0.000 2.690 447 G HA2 0.234 4.194 3.960 -0.001 0.000 0.686 447 G HA3 0.234 4.194 3.960 -0.001 0.000 0.686 447 G C -0.316 174.611 174.900 0.046 0.000 1.277 447 G CA 0.006 45.133 45.100 0.046 0.000 0.799 447 G HN 0.781 nan 8.290 nan 0.000 0.613 448 M N 1.216 120.850 119.600 0.056 0.000 2.250 448 M HA 0.457 4.936 4.480 -0.001 0.000 0.337 448 M C 1.099 177.471 176.300 0.119 0.000 1.161 448 M CA 1.279 56.623 55.300 0.072 0.000 1.088 448 M CB -0.509 32.137 32.600 0.077 0.000 1.639 448 M HN 1.570 nan 8.290 nan 0.000 0.447 449 H N 0.997 120.067 119.070 0.000 0.000 2.604 449 H HA -0.194 4.362 4.556 -0.001 0.000 0.321 449 H C -0.709 174.605 175.328 -0.024 0.000 1.132 449 H CA 0.634 56.678 56.048 -0.007 0.000 1.129 449 H CB -0.589 29.172 29.762 -0.003 0.000 1.526 449 H HN 0.626 nan 8.280 nan 0.000 0.415 450 R N 1.768 122.283 120.500 0.026 0.000 2.351 450 R HA 0.064 4.403 4.340 -0.001 0.000 0.318 450 R C 0.894 177.191 176.300 -0.005 0.000 1.055 450 R CA -0.004 56.105 56.100 0.015 0.000 0.968 450 R CB 0.280 30.586 30.300 0.010 0.000 0.974 450 R HN 0.409 nan 8.270 nan 0.000 0.439 451 M N 2.628 122.241 119.600 0.021 0.000 2.412 451 M HA 0.211 4.691 4.480 -0.001 0.000 0.263 451 M C 0.931 177.230 176.300 -0.001 0.000 1.122 451 M CA 1.010 56.319 55.300 0.015 0.000 1.179 451 M CB -0.841 31.779 32.600 0.033 0.000 1.335 451 M HN 0.716 nan 8.290 nan 0.000 0.465 452 G N 2.104 110.908 108.800 0.007 0.000 2.313 452 G HA2 0.334 4.294 3.960 -0.001 0.000 0.250 452 G HA3 0.334 4.294 3.960 -0.001 0.000 0.250 452 G C -0.289 174.607 174.900 -0.008 0.000 1.281 452 G CA -0.317 44.782 45.100 -0.002 0.000 0.917 452 G HN 0.334 nan 8.290 nan 0.000 0.501 453 I N 3.089 123.647 120.570 -0.019 0.000 2.307 453 I HA 0.100 4.269 4.170 -0.001 0.000 0.287 453 I C -0.220 175.886 176.117 -0.019 0.000 1.054 453 I CA -0.529 60.763 61.300 -0.015 0.000 1.218 453 I CB 0.845 38.835 38.000 -0.016 0.000 1.398 453 I HN 0.359 nan 8.210 nan 0.000 0.475 454 D N 4.676 125.070 120.400 -0.010 0.000 2.350 454 D HA 0.085 4.724 4.640 -0.001 0.000 0.249 454 D C 1.167 177.466 176.300 -0.002 0.000 1.119 454 D CA 0.223 54.215 54.000 -0.014 0.000 0.886 454 D CB 1.916 42.714 40.800 -0.002 0.000 1.195 454 D HN 0.562 nan 8.370 nan 0.000 0.437 455 T N -1.051 113.498 114.554 -0.009 0.000 3.040 455 T HA -0.047 4.302 4.350 -0.001 0.000 0.250 455 T C 0.835 175.540 174.700 0.008 0.000 1.058 455 T CA -0.522 61.577 62.100 -0.002 0.000 0.988 455 T CB 0.183 69.044 68.868 -0.012 0.000 0.993 455 T HN 0.123 nan 8.240 nan 0.000 0.519 456 N N 3.501 122.206 118.700 0.009 0.000 2.411 456 N HA 0.086 4.826 4.740 -0.001 0.000 0.261 456 N C -1.560 173.982 175.510 0.054 0.000 1.248 456 N CA -1.516 51.551 53.050 0.027 0.000 0.885 456 N CB 1.439 39.938 38.487 0.020 0.000 1.062 456 N HN 0.071 nan 8.380 nan 0.000 0.471 457 P HA -0.021 nan 4.420 nan 0.000 0.218 457 P C -0.428 176.926 177.300 0.090 0.000 1.149 457 P CA 0.915 64.055 63.100 0.067 0.000 0.817 457 P CB 0.164 31.900 31.700 0.060 0.000 0.785 458 A N 0.758 123.618 122.820 0.067 0.000 2.303 458 A HA 0.419 4.739 4.320 -0.001 0.000 0.317 458 A C 0.508 178.184 177.584 0.153 0.000 1.149 458 A CA -0.623 51.405 52.037 -0.015 0.000 0.822 458 A CB -0.040 18.795 19.000 -0.276 0.000 1.131 458 A HN 0.302 nan 8.150 nan 0.000 0.493 459 N N -0.079 118.744 118.700 0.204 0.000 2.365 459 N HA 0.362 5.102 4.740 -0.001 0.000 0.257 459 N C -0.924 174.757 175.510 0.284 0.000 1.287 459 N CA -0.359 52.901 53.050 0.350 0.000 0.882 459 N CB 0.393 39.039 38.487 0.265 0.000 1.250 459 N HN 0.692 nan 8.380 nan 0.000 0.507 460 Y N -0.989 119.211 120.300 -0.168 0.000 2.609 460 Y HA 0.676 5.225 4.550 -0.000 0.000 0.336 460 Y C -1.602 173.715 175.900 -0.970 0.000 1.129 460 Y CA -1.339 56.464 58.100 -0.496 0.000 1.040 460 Y CB 1.022 39.354 38.460 -0.215 0.000 1.310 460 Y HN 0.074 nan 8.280 nan 0.000 0.460 461 E N 0.915 120.670 120.200 -0.741 0.000 2.356 461 E HA 0.648 4.998 4.350 -0.001 0.000 0.275 461 E C -3.181 173.320 176.600 -0.165 0.000 0.904 461 E CA -2.010 54.049 56.400 -0.569 0.000 0.757 461 E CB 1.672 30.967 29.700 -0.676 0.000 1.232 461 E HN 0.567 nan 8.360 nan 0.000 0.442 462 P HA 0.275 nan 4.420 nan 0.000 0.275 462 P C -1.247 176.026 177.300 -0.046 0.000 1.228 462 P CA -0.405 62.638 63.100 -0.095 0.000 0.786 462 P CB 0.448 32.121 31.700 -0.045 0.000 0.927 463 N N -1.397 117.204 118.700 -0.164 0.000 2.242 463 N HA 0.344 5.083 4.740 -0.001 0.000 0.292 463 N C 0.270 175.742 175.510 -0.064 0.000 1.125 463 N CA -0.745 52.218 53.050 -0.146 0.000 0.783 463 N CB 1.478 39.605 38.487 -0.601 0.000 1.558 463 N HN 0.187 nan 8.380 nan 0.000 0.472 464 S N 0.834 116.540 115.700 0.011 0.000 2.497 464 S HA -0.008 4.462 4.470 -0.001 0.000 0.221 464 S C 1.582 176.197 174.600 0.024 0.000 1.037 464 S CA 0.068 58.274 58.200 0.011 0.000 0.920 464 S CB -0.801 62.416 63.200 0.029 0.000 0.800 464 S HN 0.712 nan 8.310 nan 0.000 0.505 465 I N -0.526 120.067 120.570 0.037 0.000 2.756 465 I HA 0.181 4.351 4.170 -0.001 0.000 0.262 465 I C 1.313 177.460 176.117 0.049 0.000 1.225 465 I CA 1.370 62.700 61.300 0.051 0.000 1.472 465 I CB -0.393 37.656 38.000 0.081 0.000 1.094 465 I HN 0.194 nan 8.210 nan 0.000 0.454 466 N N 1.063 119.791 118.700 0.046 0.000 2.299 466 N HA 0.036 4.776 4.740 -0.001 0.000 0.246 466 N C -0.067 175.549 175.510 0.175 0.000 1.254 466 N CA -0.041 53.075 53.050 0.110 0.000 0.879 466 N CB 0.029 38.591 38.487 0.125 0.000 1.214 466 N HN 0.219 nan 8.380 nan 0.000 0.510 467 D N 0.796 121.250 120.400 0.089 0.000 2.751 467 D HA -0.261 4.379 4.640 -0.001 0.000 0.233 467 D C -0.129 176.066 176.300 -0.175 0.000 1.149 467 D CA 1.080 55.098 54.000 0.030 0.000 0.682 467 D CB -1.395 39.499 40.800 0.157 0.000 1.068 467 D HN 0.477 nan 8.370 nan 0.000 0.429 468 N N -1.637 116.983 118.700 -0.133 0.000 2.741 468 N HA -0.246 4.494 4.740 -0.001 0.000 0.251 468 N C -0.856 174.554 175.510 -0.166 0.000 1.112 468 N CA 1.403 54.342 53.050 -0.185 0.000 0.750 468 N CB -1.296 37.032 38.487 -0.264 0.000 1.119 468 N HN 0.544 nan 8.380 nan 0.000 0.561 469 W N 0.746 122.094 121.300 0.081 0.000 2.381 469 W HA 0.450 5.110 4.660 -0.000 0.000 0.329 469 W C -1.686 174.859 176.519 0.043 0.000 1.157 469 W CA -1.723 55.650 57.345 0.046 0.000 1.240 469 W CB 0.644 30.083 29.460 -0.035 0.000 1.199 469 W HN -0.031 nan 8.180 nan 0.000 0.579 470 P HA 0.182 nan 4.420 nan 0.000 0.275 470 P C -0.664 176.771 177.300 0.225 0.000 1.228 470 P CA -0.132 63.103 63.100 0.225 0.000 0.786 470 P CB 0.857 32.549 31.700 -0.013 0.000 0.927 471 R N 1.231 121.849 120.500 0.197 0.000 2.598 471 R HA 0.324 4.664 4.340 -0.001 0.000 0.279 471 R C 0.333 176.669 176.300 0.060 0.000 0.984 471 R CA -0.833 55.259 56.100 -0.014 0.000 0.999 471 R CB 1.061 31.130 30.300 -0.385 0.000 1.114 471 R HN 0.483 nan 8.270 nan 0.000 0.493 472 E N 0.709 120.930 120.200 0.035 0.000 2.436 472 E HA 0.018 4.367 4.350 -0.001 0.000 0.262 472 E C -0.545 176.080 176.600 0.042 0.000 1.063 472 E CA 0.675 57.106 56.400 0.052 0.000 0.944 472 E CB 0.623 30.344 29.700 0.034 0.000 0.950 472 E HN 0.354 nan 8.360 nan 0.000 0.444 473 T N 3.657 118.247 114.554 0.059 0.000 2.881 473 T HA 0.317 4.667 4.350 -0.001 0.000 0.291 473 T C -2.449 172.277 174.700 0.044 0.000 0.990 473 T CA -1.593 60.540 62.100 0.056 0.000 0.976 473 T CB 1.382 70.295 68.868 0.076 0.000 0.970 473 T HN 0.253 nan 8.240 nan 0.000 0.438 474 P HA 0.225 nan 4.420 nan 0.000 0.268 474 P C -2.542 174.766 177.300 0.013 0.000 1.208 474 P CA -1.233 61.877 63.100 0.016 0.000 0.777 474 P CB -0.469 31.236 31.700 0.008 0.000 0.875 475 P HA 0.343 nan 4.420 nan 0.000 0.272 475 P C 0.059 177.348 177.300 -0.018 0.000 1.223 475 P CA 0.310 63.396 63.100 -0.022 0.000 0.784 475 P CB 0.689 32.355 31.700 -0.056 0.000 0.923 476 G N 0.867 109.655 108.800 -0.021 0.000 2.489 476 G HA2 0.398 4.358 3.960 -0.001 0.000 0.305 476 G HA3 0.398 4.358 3.960 -0.001 0.000 0.305 476 G C -2.545 172.344 174.900 -0.018 0.000 1.311 476 G CA -0.739 44.352 45.100 -0.015 0.000 0.813 476 G HN 0.107 nan 8.290 nan 0.000 0.480 477 P HA 0.092 nan 4.420 nan 0.000 0.217 477 P C 0.218 177.513 177.300 -0.008 0.000 1.150 477 P CA 1.196 64.287 63.100 -0.014 0.000 0.832 477 P CB 0.188 31.882 31.700 -0.010 0.000 0.787 478 K N -1.561 118.841 120.400 0.004 0.000 2.523 478 K HA 0.381 4.701 4.320 -0.001 0.000 0.257 478 K C -0.271 176.345 176.600 0.026 0.000 0.932 478 K CA -0.880 55.416 56.287 0.015 0.000 0.812 478 K CB 1.995 34.505 32.500 0.017 0.000 1.326 478 K HN -0.336 nan 8.250 nan 0.000 0.433 479 R N -0.411 120.112 120.500 0.038 0.000 3.641 479 R HA -0.147 4.193 4.340 -0.001 0.000 0.286 479 R C -0.070 176.260 176.300 0.049 0.000 1.153 479 R CA 0.981 57.110 56.100 0.049 0.000 0.775 479 R CB -2.206 28.123 30.300 0.047 0.000 1.215 479 R HN 0.950 nan 8.270 nan 0.000 0.474 480 G N -0.787 108.037 108.800 0.040 0.000 2.462 480 G HA2 0.613 4.572 3.960 -0.001 0.000 0.319 480 G HA3 0.613 4.572 3.960 -0.001 0.000 0.319 480 G C 0.369 175.302 174.900 0.055 0.000 1.171 480 G CA 0.088 45.209 45.100 0.036 0.000 0.920 480 G HN 0.251 nan 8.290 nan 0.000 0.499 481 G N -1.135 107.699 108.800 0.057 0.000 2.569 481 G HA2 0.396 4.356 3.960 -0.001 0.000 0.249 481 G HA3 0.396 4.356 3.960 -0.001 0.000 0.249 481 G C -0.586 174.369 174.900 0.092 0.000 1.216 481 G CA -0.529 44.626 45.100 0.093 0.000 0.845 481 G HN 0.467 nan 8.290 nan 0.000 0.568 482 F N 0.418 120.385 119.950 0.029 0.000 2.495 482 F HA 0.369 4.895 4.527 -0.001 0.000 0.365 482 F C 0.574 176.392 175.800 0.029 0.000 1.090 482 F CA -0.120 57.894 58.000 0.023 0.000 1.235 482 F CB 0.849 39.866 39.000 0.028 0.000 1.119 482 F HN 0.440 nan 8.300 nan 0.000 0.562 483 E N 3.942 123.779 120.200 -0.606 0.000 2.256 483 E HA 0.311 4.661 4.350 -0.001 0.000 0.268 483 E C -1.107 175.179 176.600 -0.522 0.000 0.877 483 E CA -0.788 55.414 56.400 -0.330 0.000 0.757 483 E CB 1.542 31.130 29.700 -0.186 0.000 1.183 483 E HN 0.622 nan 8.360 nan 0.000 0.418 484 S N 2.488 118.119 115.700 -0.115 0.000 2.564 484 S HA 0.010 4.480 4.470 -0.001 0.000 0.278 484 S C -0.574 174.022 174.600 -0.007 0.000 1.333 484 S CA -0.347 57.864 58.200 0.019 0.000 1.048 484 S CB 0.162 63.486 63.200 0.206 0.000 0.900 484 S HN 0.469 nan 8.310 nan 0.000 0.505 485 Y N 2.590 122.843 120.300 -0.079 0.000 2.620 485 Y HA -0.011 4.539 4.550 -0.000 0.000 0.330 485 Y C 0.821 176.708 175.900 -0.023 0.000 1.186 485 Y CA 0.110 58.166 58.100 -0.072 0.000 1.467 485 Y CB 0.154 38.569 38.460 -0.075 0.000 1.262 485 Y HN 0.586 nan 8.280 nan 0.000 0.550 486 Q N 5.345 124.761 119.800 -0.640 0.000 3.254 486 Q HA 0.006 4.346 4.340 -0.001 0.000 0.315 486 Q C -0.191 175.511 176.000 -0.497 0.000 1.405 486 Q CA -0.012 55.532 55.803 -0.433 0.000 0.966 486 Q CB -0.228 28.331 28.738 -0.298 0.000 1.706 486 Q HN 0.649 nan 8.270 nan 0.000 0.525 487 E N 1.469 121.465 120.200 -0.340 0.000 2.414 487 E HA -0.008 4.341 4.350 -0.001 0.000 0.263 487 E C -0.237 176.339 176.600 -0.041 0.000 1.000 487 E CA -0.448 55.894 56.400 -0.098 0.000 0.914 487 E CB 0.643 30.425 29.700 0.137 0.000 0.948 487 E HN 0.142 nan 8.360 nan 0.000 0.444 488 R N 3.095 123.594 120.500 -0.002 0.000 2.389 488 R HA 0.211 4.551 4.340 -0.001 0.000 0.295 488 R C -1.467 174.858 176.300 0.043 0.000 1.075 488 R CA -0.213 55.894 56.100 0.012 0.000 1.005 488 R CB 0.855 31.169 30.300 0.024 0.000 0.987 488 R HN 0.293 nan 8.270 nan 0.000 0.452 489 V N 5.067 124.998 119.914 0.029 0.000 2.409 489 V HA 0.403 4.523 4.120 -0.001 0.000 0.291 489 V C -0.553 175.556 176.094 0.025 0.000 1.020 489 V CA -0.548 61.773 62.300 0.035 0.000 0.848 489 V CB 1.597 33.438 31.823 0.029 0.000 0.990 489 V HN 0.832 nan 8.190 nan 0.000 0.430 490 E N 2.963 123.180 120.200 0.027 0.000 2.317 490 E HA 0.684 5.033 4.350 -0.001 0.000 0.270 490 E C -0.133 176.474 176.600 0.012 0.000 0.899 490 E CA -0.370 56.040 56.400 0.016 0.000 0.814 490 E CB 2.215 31.924 29.700 0.017 0.000 1.296 490 E HN 0.970 nan 8.360 nan 0.000 0.404 491 G N 2.385 111.187 108.800 0.003 0.000 2.328 491 G HA2 0.146 4.106 3.960 -0.001 0.000 0.295 491 G HA3 0.146 4.106 3.960 -0.001 0.000 0.295 491 G C -1.442 173.453 174.900 -0.008 0.000 1.413 491 G CA -1.031 44.067 45.100 -0.003 0.000 0.817 491 G HN 0.348 nan 8.290 nan 0.000 0.546 492 N N -0.058 118.634 118.700 -0.014 0.000 2.495 492 N HA 0.435 5.174 4.740 -0.001 0.000 0.280 492 N C -0.182 175.315 175.510 -0.021 0.000 1.168 492 N CA -0.494 52.547 53.050 -0.016 0.000 0.978 492 N CB 0.962 39.439 38.487 -0.017 0.000 1.191 492 N HN 0.409 nan 8.380 nan 0.000 0.497 493 K N 1.074 121.461 120.400 -0.022 0.000 2.336 493 K HA 0.194 4.514 4.320 -0.001 0.000 0.290 493 K C -0.740 175.840 176.600 -0.035 0.000 1.067 493 K CA -0.202 56.068 56.287 -0.028 0.000 0.962 493 K CB -0.191 32.293 32.500 -0.026 0.000 1.008 493 K HN 0.342 nan 8.250 nan 0.000 0.467 494 V N 0.262 120.151 119.914 -0.043 0.000 3.007 494 V HA 0.493 4.613 4.120 -0.001 0.000 0.311 494 V C -0.515 175.539 176.094 -0.065 0.000 1.120 494 V CA -1.340 60.931 62.300 -0.049 0.000 0.980 494 V CB 2.060 33.855 31.823 -0.047 0.000 1.033 494 V HN 0.618 nan 8.190 nan 0.000 0.429 495 R N 2.220 122.678 120.500 -0.071 0.000 2.471 495 R HA 0.587 4.927 4.340 -0.001 0.000 0.292 495 R C -0.509 175.744 176.300 -0.078 0.000 1.192 495 R CA -0.131 55.915 56.100 -0.091 0.000 1.257 495 R CB 0.741 30.975 30.300 -0.110 0.000 1.130 495 R HN 0.942 nan 8.270 nan 0.000 0.558 496 E N 1.943 122.094 120.200 -0.082 0.000 2.335 496 E HA 0.238 4.587 4.350 -0.001 0.000 0.280 496 E C -1.314 175.220 176.600 -0.110 0.000 0.918 496 E CA -1.019 55.335 56.400 -0.077 0.000 0.765 496 E CB 1.688 31.350 29.700 -0.064 0.000 1.218 496 E HN 0.118 nan 8.360 nan 0.000 0.425 497 R N 1.687 122.126 120.500 -0.102 0.000 2.390 497 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 497 R C -0.509 175.672 176.300 -0.198 0.000 1.070 497 R CA 0.058 56.059 56.100 -0.166 0.000 1.014 497 R CB 1.215 31.474 30.300 -0.068 0.000 1.007 497 R HN 0.402 nan 8.270 nan 0.000 0.466 498 S N 4.883 120.351 115.700 -0.386 0.000 2.549 498 S HA 0.096 4.565 4.470 -0.001 0.000 0.286 498 S C -1.522 173.036 174.600 -0.070 0.000 1.314 498 S CA -1.177 56.878 58.200 -0.241 0.000 1.062 498 S CB 0.645 63.643 63.200 -0.337 0.000 0.865 498 S HN 0.557 nan 8.310 nan 0.000 0.498 499 P HA -0.104 nan 4.420 nan 0.000 0.218 499 P C 1.570 178.915 177.300 0.076 0.000 1.148 499 P CA 1.295 64.412 63.100 0.030 0.000 0.822 499 P CB -0.159 31.551 31.700 0.016 0.000 0.784 500 S N -1.834 113.949 115.700 0.138 0.000 2.442 500 S HA -0.128 4.342 4.470 -0.001 0.000 0.236 500 S C 1.472 176.229 174.600 0.262 0.000 1.007 500 S CA 0.939 59.255 58.200 0.194 0.000 0.965 500 S CB -1.434 61.918 63.200 0.253 0.000 0.773 500 S HN -0.026 nan 8.310 nan 0.000 0.504 501 F N 2.271 122.209 119.950 -0.020 0.000 2.797 501 F HA 0.384 4.911 4.527 -0.000 0.000 0.302 501 F C 1.976 177.703 175.800 -0.122 0.000 1.130 501 F CA -0.844 57.136 58.000 -0.033 0.000 1.387 501 F CB -0.689 38.323 39.000 0.021 0.000 1.107 501 F HN 0.350 nan 8.300 nan 0.000 0.577 502 G N 0.428 109.220 108.800 -0.014 0.000 3.471 502 G HA2 0.071 4.031 3.960 -0.001 0.000 0.254 502 G HA3 0.071 4.031 3.960 -0.001 0.000 0.254 502 G C 0.005 174.480 174.900 -0.708 0.000 1.199 502 G CA 0.126 45.040 45.100 -0.309 0.000 1.683 502 G HN 0.049 nan 8.290 nan 0.000 0.625 503 E N 0.088 119.794 120.200 -0.824 0.000 2.260 503 E HA 0.334 4.684 4.350 -0.001 0.000 0.266 503 E C -0.925 175.257 176.600 -0.696 0.000 0.887 503 E CA -0.764 55.235 56.400 -0.669 0.000 0.777 503 E CB 1.530 31.081 29.700 -0.247 0.000 1.205 503 E HN 0.224 nan 8.360 nan 0.000 0.414 504 Y N 2.624 122.714 120.300 -0.350 0.000 2.499 504 Y HA 0.197 4.746 4.550 -0.001 0.000 0.253 504 Y C 0.677 176.303 175.900 -0.457 0.000 1.105 504 Y CA -0.157 57.655 58.100 -0.480 0.000 1.240 504 Y CB 0.396 38.427 38.460 -0.716 0.000 1.289 504 Y HN 0.419 nan 8.280 nan 0.000 0.534 505 Y N -1.149 119.234 120.300 0.137 0.000 2.535 505 Y HA 0.068 4.618 4.550 -0.000 0.000 0.264 505 Y C 2.438 178.399 175.900 0.101 0.000 1.087 505 Y CA 0.221 58.396 58.100 0.126 0.000 1.285 505 Y CB -0.382 38.157 38.460 0.133 0.000 1.200 505 Y HN 0.067 nan 8.280 nan 0.000 0.514 506 S N -0.689 115.141 115.700 0.216 0.000 2.383 506 S HA -0.191 4.278 4.470 -0.001 0.000 0.227 506 S C 1.620 176.294 174.600 0.122 0.000 1.026 506 S CA 1.475 59.784 58.200 0.181 0.000 0.981 506 S CB -0.782 62.534 63.200 0.193 0.000 0.818 506 S HN 0.539 nan 8.310 nan 0.000 0.472 507 H N 2.448 121.430 119.070 -0.146 0.000 2.363 507 H HA 0.055 4.610 4.556 -0.001 0.000 0.301 507 H C -0.513 174.594 175.328 -0.368 0.000 1.074 507 H CA 1.345 57.151 56.048 -0.402 0.000 1.354 507 H CB -1.301 28.000 29.762 -0.768 0.000 1.397 507 H HN 0.414 nan 8.280 nan 0.000 0.516 508 P HA -0.184 nan 4.420 nan 0.000 0.216 508 P C 1.654 179.132 177.300 0.297 0.000 1.153 508 P CA 1.491 64.726 63.100 0.225 0.000 0.858 508 P CB -0.124 31.740 31.700 0.273 0.000 0.789 509 R N -0.433 120.196 120.500 0.215 0.000 2.075 509 R HA -0.122 4.218 4.340 -0.001 0.000 0.232 509 R C 2.177 178.605 176.300 0.213 0.000 1.126 509 R CA 1.145 57.380 56.100 0.224 0.000 0.963 509 R CB -1.084 29.311 30.300 0.159 0.000 0.858 509 R HN 0.057 nan 8.270 nan 0.000 0.435 510 L N 0.600 121.892 121.223 0.115 0.000 2.042 510 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 510 L C 1.993 178.921 176.870 0.097 0.000 1.076 510 L CA 1.787 56.659 54.840 0.054 0.000 0.749 510 L CB -0.763 41.258 42.059 -0.063 0.000 0.893 510 L HN 0.242 nan 8.230 nan 0.000 0.432 511 F N -0.822 119.154 119.950 0.043 0.000 2.102 511 F HA -0.277 4.249 4.527 -0.000 0.000 0.298 511 F C 2.326 178.123 175.800 -0.005 0.000 1.105 511 F CA 2.157 60.158 58.000 0.002 0.000 1.239 511 F CB -0.590 38.438 39.000 0.047 0.000 0.991 511 F HN 0.393 nan 8.300 nan 0.000 0.474 512 W N 1.371 122.669 121.300 -0.003 0.000 2.335 512 W HA -0.242 4.418 4.660 -0.001 0.000 0.311 512 W C 1.722 178.130 176.519 -0.185 0.000 1.213 512 W CA 1.806 59.099 57.345 -0.087 0.000 1.274 512 W CB -0.733 28.757 29.460 0.051 0.000 1.148 512 W HN 0.067 nan 8.180 nan 0.000 0.498 513 L N 1.156 122.306 121.223 -0.123 0.000 2.362 513 L HA -0.148 4.192 4.340 -0.001 0.000 0.219 513 L C 2.292 178.973 176.870 -0.315 0.000 1.134 513 L CA 1.007 55.702 54.840 -0.243 0.000 0.807 513 L CB -0.686 41.353 42.059 -0.032 0.000 0.927 513 L HN -0.134 nan 8.230 nan 0.000 0.447 514 S N -1.473 114.021 115.700 -0.342 0.000 2.558 514 S HA 0.054 4.524 4.470 -0.001 0.000 0.217 514 S C 0.725 175.043 174.600 -0.470 0.000 0.975 514 S CA 0.075 58.071 58.200 -0.340 0.000 0.912 514 S CB 0.034 63.064 63.200 -0.283 0.000 0.776 514 S HN 0.297 nan 8.310 nan 0.000 0.526 515 Q N 2.220 121.639 119.800 -0.636 0.000 2.260 515 Q HA 0.289 4.628 4.340 -0.001 0.000 0.242 515 Q C 0.641 176.259 176.000 -0.637 0.000 0.932 515 Q CA -0.118 55.274 55.803 -0.685 0.000 0.891 515 Q CB 0.450 28.708 28.738 -0.801 0.000 1.222 515 Q HN 0.424 nan 8.270 nan 0.000 0.453 516 T N -1.693 112.446 114.554 -0.690 0.000 2.748 516 T HA 0.134 4.484 4.350 -0.001 0.000 0.304 516 T C -1.707 172.549 174.700 -0.740 0.000 1.041 516 T CA -1.229 60.436 62.100 -0.725 0.000 1.033 516 T CB 0.195 68.389 68.868 -1.123 0.000 0.995 516 T HN 0.237 nan 8.240 nan 0.000 0.536 517 P HA -0.026 nan 4.420 nan 0.000 0.215 517 P C 1.424 178.514 177.300 -0.350 0.000 1.153 517 P CA 1.075 63.961 63.100 -0.357 0.000 0.853 517 P CB -0.275 31.332 31.700 -0.155 0.000 0.788 518 F N -0.184 119.562 119.950 -0.339 0.000 2.325 518 F HA 0.080 4.607 4.527 -0.001 0.000 0.299 518 F C 1.794 177.222 175.800 -0.621 0.000 1.090 518 F CA 0.759 58.486 58.000 -0.454 0.000 1.392 518 F CB -1.538 37.175 39.000 -0.478 0.000 1.053 518 F HN -0.102 nan 8.300 nan 0.000 0.521 519 E N 0.557 120.163 120.200 -0.990 0.000 2.106 519 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 519 E C 2.194 178.591 176.600 -0.338 0.000 0.984 519 E CA 1.252 57.299 56.400 -0.588 0.000 0.806 519 E CB -0.227 29.087 29.700 -0.644 0.000 0.750 519 E HN 0.621 nan 8.360 nan 0.000 0.458 520 Q N 0.374 119.897 119.800 -0.460 0.000 2.084 520 Q HA -0.160 4.180 4.340 -0.001 0.000 0.202 520 Q C 2.294 178.322 176.000 0.046 0.000 0.978 520 Q CA 0.991 56.563 55.803 -0.386 0.000 0.844 520 Q CB -0.164 28.070 28.738 -0.840 0.000 0.898 520 Q HN 0.129 nan 8.270 nan 0.000 0.426 521 R N 0.383 120.881 120.500 -0.003 0.000 2.103 521 R HA -0.200 4.139 4.340 -0.001 0.000 0.242 521 R C 1.733 178.202 176.300 0.281 0.000 1.142 521 R CA 1.776 57.961 56.100 0.141 0.000 0.960 521 R CB -0.239 30.116 30.300 0.093 0.000 0.858 521 R HN 0.513 nan 8.270 nan 0.000 0.439 522 H N -0.480 118.678 119.070 0.146 0.000 2.423 522 H HA -0.062 4.494 4.556 -0.001 0.000 0.297 522 H C 2.215 177.653 175.328 0.184 0.000 1.075 522 H CA 1.225 57.374 56.048 0.169 0.000 1.342 522 H CB 0.064 29.931 29.762 0.175 0.000 1.395 522 H HN 0.237 nan 8.280 nan 0.000 0.530 523 I N 0.068 120.850 120.570 0.354 0.000 2.202 523 I HA -0.246 3.924 4.170 -0.001 0.000 0.242 523 I C 2.312 178.705 176.117 0.461 0.000 1.091 523 I CA 0.720 62.262 61.300 0.404 0.000 1.368 523 I CB -0.151 38.186 38.000 0.561 0.000 1.058 523 I HN 0.073 nan 8.210 nan 0.000 0.410 524 V N 1.030 121.210 119.914 0.444 0.000 2.282 524 V HA -0.333 3.787 4.120 -0.001 0.000 0.249 524 V C 2.051 178.310 176.094 0.276 0.000 1.057 524 V CA 2.167 64.674 62.300 0.345 0.000 1.032 524 V CB -0.693 31.293 31.823 0.272 0.000 0.645 524 V HN 0.426 nan 8.190 nan 0.000 0.447 525 D N 0.322 120.869 120.400 0.245 0.000 2.144 525 D HA -0.087 4.552 4.640 -0.001 0.000 0.200 525 D C 2.169 178.533 176.300 0.106 0.000 0.978 525 D CA 1.487 55.594 54.000 0.179 0.000 0.833 525 D CB -0.618 40.292 40.800 0.184 0.000 0.961 525 D HN 0.478 nan 8.370 nan 0.000 0.470 526 G N 0.225 109.070 108.800 0.075 0.000 2.433 526 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 526 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 526 G C 1.459 176.351 174.900 -0.015 0.000 1.186 526 G CA 0.265 45.318 45.100 -0.078 0.000 0.779 526 G HN 0.166 nan 8.290 nan 0.000 0.543 527 F N 1.843 121.824 119.950 0.052 0.000 2.126 527 F HA -0.102 4.425 4.527 -0.001 0.000 0.299 527 F C 3.188 178.898 175.800 -0.149 0.000 1.096 527 F CA 1.643 59.608 58.000 -0.058 0.000 1.255 527 F CB -0.401 38.578 39.000 -0.035 0.000 0.997 527 F HN 0.089 nan 8.300 nan 0.000 0.479 528 S N -0.069 115.715 115.700 0.139 0.000 2.356 528 S HA -0.225 4.245 4.470 -0.001 0.000 0.223 528 S C 1.877 176.484 174.600 0.010 0.000 1.032 528 S CA 1.381 59.610 58.200 0.048 0.000 1.005 528 S CB -0.859 62.393 63.200 0.086 0.000 0.867 528 S HN 0.409 nan 8.310 nan 0.000 0.449 529 F N 2.611 122.506 119.950 -0.091 0.000 2.075 529 F HA -0.130 4.397 4.527 -0.001 0.000 0.297 529 F C 2.387 178.111 175.800 -0.126 0.000 1.113 529 F CA 1.578 59.512 58.000 -0.111 0.000 1.218 529 F CB -0.291 38.568 39.000 -0.234 0.000 0.984 529 F HN 0.129 nan 8.300 nan 0.000 0.472 530 E N 0.607 120.755 120.200 -0.087 0.000 2.051 530 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 530 E C 2.333 178.703 176.600 -0.384 0.000 0.991 530 E CA 1.688 57.998 56.400 -0.151 0.000 0.799 530 E CB -0.558 29.207 29.700 0.108 0.000 0.748 530 E HN 0.483 nan 8.360 nan 0.000 0.449 531 L N 1.435 122.357 121.223 -0.503 0.000 2.275 531 L HA -0.101 4.238 4.340 -0.001 0.000 0.215 531 L C 2.661 179.356 176.870 -0.292 0.000 1.119 531 L CA 0.914 55.455 54.840 -0.498 0.000 0.790 531 L CB -0.419 41.366 42.059 -0.456 0.000 0.919 531 L HN 0.131 nan 8.230 nan 0.000 0.443 532 S N -0.718 114.824 115.700 -0.264 0.000 2.474 532 S HA -0.088 4.382 4.470 -0.001 0.000 0.235 532 S C 1.737 176.211 174.600 -0.210 0.000 0.997 532 S CA 0.531 58.606 58.200 -0.208 0.000 0.949 532 S CB -0.068 63.017 63.200 -0.190 0.000 0.766 532 S HN 0.274 nan 8.310 nan 0.000 0.517 533 K N 1.248 121.494 120.400 -0.257 0.000 2.404 533 K HA 0.330 4.650 4.320 -0.001 0.000 0.194 533 K C -0.085 176.495 176.600 -0.033 0.000 1.023 533 K CA -0.012 56.185 56.287 -0.151 0.000 1.094 533 K CB 0.102 32.497 32.500 -0.175 0.000 0.841 533 K HN 0.316 nan 8.250 nan 0.000 0.523 534 V N 2.228 122.103 119.914 -0.066 0.000 2.427 534 V HA -0.004 4.116 4.120 -0.001 0.000 0.268 534 V C 1.766 177.842 176.094 -0.029 0.000 1.046 534 V CA -0.062 62.228 62.300 -0.016 0.000 0.970 534 V CB 1.279 33.058 31.823 -0.073 0.000 1.001 534 V HN -0.119 nan 8.190 nan 0.000 0.476 535 V N 5.228 125.150 119.914 0.013 0.000 2.453 535 V HA -0.060 4.060 4.120 -0.001 0.000 0.247 535 V C 1.337 177.417 176.094 -0.023 0.000 1.048 535 V CA 1.326 63.630 62.300 0.008 0.000 1.049 535 V CB -0.450 31.398 31.823 0.042 0.000 0.672 535 V HN 0.765 nan 8.190 nan 0.000 0.457 536 R N 0.924 121.386 120.500 -0.064 0.000 2.242 536 R HA 0.178 4.518 4.340 -0.001 0.000 0.334 536 R C -1.701 174.476 176.300 -0.205 0.000 1.071 536 R CA -1.410 54.622 56.100 -0.113 0.000 0.922 536 R CB 0.566 30.744 30.300 -0.204 0.000 1.023 536 R HN 0.250 nan 8.270 nan 0.000 0.458 537 P HA -0.208 nan 4.420 nan 0.000 0.218 537 P C 0.762 178.026 177.300 -0.059 0.000 1.148 537 P CA 1.179 64.247 63.100 -0.053 0.000 0.822 537 P CB -0.020 31.688 31.700 0.013 0.000 0.784 538 Y N -1.241 119.058 120.300 -0.002 0.000 2.274 538 Y HA -0.086 4.464 4.550 -0.001 0.000 0.290 538 Y C 1.967 177.871 175.900 0.007 0.000 1.145 538 Y CA 0.728 58.828 58.100 -0.000 0.000 1.203 538 Y CB -1.776 36.684 38.460 0.001 0.000 0.984 538 Y HN -0.119 nan 8.280 nan 0.000 0.533 539 I N 0.904 121.041 120.570 -0.722 0.000 2.252 539 I HA -0.257 3.913 4.170 -0.001 0.000 0.245 539 I C 2.535 178.561 176.117 -0.152 0.000 1.102 539 I CA 1.434 62.497 61.300 -0.395 0.000 1.385 539 I CB -0.392 37.365 38.000 -0.405 0.000 1.064 539 I HN 0.204 nan 8.210 nan 0.000 0.414 540 R N 0.793 121.195 120.500 -0.164 0.000 2.091 540 R HA -0.190 4.150 4.340 -0.001 0.000 0.238 540 R C 2.129 178.379 176.300 -0.083 0.000 1.136 540 R CA 1.533 57.552 56.100 -0.136 0.000 0.959 540 R CB -0.449 29.768 30.300 -0.137 0.000 0.856 540 R HN 0.469 nan 8.270 nan 0.000 0.437 541 E N 0.468 120.642 120.200 -0.044 0.000 2.110 541 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 541 E C 2.151 178.756 176.600 0.008 0.000 0.988 541 E CA 0.972 57.365 56.400 -0.011 0.000 0.804 541 E CB -0.034 29.682 29.700 0.027 0.000 0.745 541 E HN 0.303 nan 8.360 nan 0.000 0.458 542 R N 0.332 120.852 120.500 0.034 0.000 2.092 542 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 542 R C 2.414 178.739 176.300 0.042 0.000 1.119 542 R CA 0.956 57.088 56.100 0.054 0.000 0.970 542 R CB -0.219 30.134 30.300 0.088 0.000 0.864 542 R HN 0.043 nan 8.270 nan 0.000 0.440 543 V N 0.336 120.268 119.914 0.031 0.000 2.358 543 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 543 V C 2.262 178.338 176.094 -0.029 0.000 1.047 543 V CA 1.436 63.766 62.300 0.050 0.000 1.035 543 V CB -0.223 31.649 31.823 0.080 0.000 0.658 543 V HN 0.123 nan 8.190 nan 0.000 0.452 544 V N 0.511 120.382 119.914 -0.071 0.000 2.407 544 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 544 V C 2.292 178.343 176.094 -0.072 0.000 1.055 544 V CA 2.422 64.655 62.300 -0.111 0.000 1.049 544 V CB -0.672 31.090 31.823 -0.101 0.000 0.662 544 V HN 0.658 nan 8.190 nan 0.000 0.455 545 D N -0.743 119.648 120.400 -0.016 0.000 2.123 545 D HA -0.201 4.439 4.640 -0.001 0.000 0.196 545 D C 2.278 178.647 176.300 0.117 0.000 0.992 545 D CA 1.210 55.231 54.000 0.036 0.000 0.833 545 D CB -0.007 40.834 40.800 0.067 0.000 0.954 545 D HN 0.344 nan 8.370 nan 0.000 0.455 546 Q N -0.246 119.605 119.800 0.085 0.000 2.119 546 Q HA -0.077 4.263 4.340 -0.001 0.000 0.201 546 Q C 2.571 178.605 176.000 0.057 0.000 0.972 546 Q CA 0.652 56.522 55.803 0.113 0.000 0.847 546 Q CB -0.217 28.598 28.738 0.128 0.000 0.903 546 Q HN 0.462 nan 8.270 nan 0.000 0.433 547 L N 0.135 121.321 121.223 -0.062 0.000 2.131 547 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 547 L C 2.351 179.108 176.870 -0.190 0.000 1.092 547 L CA 0.955 55.682 54.840 -0.188 0.000 0.759 547 L CB -0.662 41.175 42.059 -0.370 0.000 0.903 547 L HN 0.095 nan 8.230 nan 0.000 0.435 548 A N -0.783 121.943 122.820 -0.157 0.000 2.121 548 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 548 A C 1.715 179.109 177.584 -0.316 0.000 1.154 548 A CA 1.181 53.085 52.037 -0.222 0.000 0.679 548 A CB -0.704 18.166 19.000 -0.217 0.000 0.795 548 A HN 0.451 nan 8.150 nan 0.000 0.458 549 H N -1.297 117.568 119.070 -0.342 0.000 2.548 549 H HA 0.282 4.838 4.556 -0.001 0.000 0.265 549 H C 1.564 176.634 175.328 -0.430 0.000 0.969 549 H CA 0.838 56.559 56.048 -0.545 0.000 1.155 549 H CB 0.110 29.131 29.762 -1.235 0.000 1.394 549 H HN 0.494 nan 8.280 nan 0.000 0.570 550 I N -1.071 119.410 120.570 -0.148 0.000 2.681 550 I HA 0.071 4.241 4.170 -0.001 0.000 0.247 550 I C -0.111 175.942 176.117 -0.106 0.000 1.091 550 I CA 0.503 61.780 61.300 -0.039 0.000 1.442 550 I CB 0.632 38.635 38.000 0.006 0.000 1.219 550 I HN 0.098 nan 8.210 nan 0.000 0.451 551 D N -1.021 119.243 120.400 -0.226 0.000 2.931 551 D HA 0.232 4.872 4.640 -0.001 0.000 0.215 551 D C 0.070 176.206 176.300 -0.273 0.000 1.297 551 D CA -0.413 53.434 54.000 -0.255 0.000 0.892 551 D CB 1.415 41.935 40.800 -0.466 0.000 1.642 551 D HN -0.197 nan 8.370 nan 0.000 0.560 552 L N 2.433 123.553 121.223 -0.172 0.000 2.217 552 L HA 0.039 4.379 4.340 -0.001 0.000 0.211 552 L C 2.206 178.996 176.870 -0.134 0.000 1.107 552 L CA 1.599 56.349 54.840 -0.151 0.000 0.783 552 L CB -0.959 41.037 42.059 -0.106 0.000 0.919 552 L HN 0.623 nan 8.230 nan 0.000 0.442 553 T N -0.409 114.089 114.554 -0.094 0.000 2.777 553 T HA -0.167 4.183 4.350 -0.001 0.000 0.266 553 T C 1.868 176.503 174.700 -0.107 0.000 1.040 553 T CA 1.345 63.432 62.100 -0.021 0.000 1.141 553 T CB -0.296 68.647 68.868 0.124 0.000 0.868 553 T HN 0.204 nan 8.240 nan 0.000 0.444 554 L N 1.731 122.727 121.223 -0.379 0.000 2.017 554 L HA 0.061 4.401 4.340 -0.001 0.000 0.208 554 L C 2.600 179.240 176.870 -0.383 0.000 1.073 554 L CA 2.069 56.525 54.840 -0.640 0.000 0.745 554 L CB -1.129 40.099 42.059 -1.384 0.000 0.894 554 L HN 0.203 nan 8.230 nan 0.000 0.432 555 A N -1.004 121.609 122.820 -0.345 0.000 1.883 555 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 555 A C 2.262 179.743 177.584 -0.171 0.000 1.186 555 A CA 2.029 53.911 52.037 -0.259 0.000 0.624 555 A CB -0.714 18.151 19.000 -0.225 0.000 0.822 555 A HN 0.688 nan 8.150 nan 0.000 0.444 556 Q N -1.014 118.709 119.800 -0.130 0.000 2.119 556 Q HA -0.050 4.290 4.340 -0.001 0.000 0.201 556 Q C 2.386 178.355 176.000 -0.051 0.000 0.972 556 Q CA 1.189 56.946 55.803 -0.077 0.000 0.847 556 Q CB -0.313 28.394 28.738 -0.052 0.000 0.903 556 Q HN 0.703 nan 8.270 nan 0.000 0.433 557 A N -0.027 122.767 122.820 -0.044 0.000 1.930 557 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 557 A C 2.235 179.817 177.584 -0.004 0.000 1.175 557 A CA 1.067 53.106 52.037 0.004 0.000 0.627 557 A CB -0.442 18.592 19.000 0.056 0.000 0.815 557 A HN 0.203 nan 8.150 nan 0.000 0.443 558 V N -0.121 119.762 119.914 -0.052 0.000 2.307 558 V HA -0.200 3.919 4.120 -0.001 0.000 0.245 558 V C 3.060 179.119 176.094 -0.058 0.000 1.045 558 V CA 1.776 64.044 62.300 -0.054 0.000 1.024 558 V CB -1.249 30.491 31.823 -0.138 0.000 0.651 558 V HN 0.590 nan 8.190 nan 0.000 0.449 559 A N -0.079 122.695 122.820 -0.076 0.000 1.908 559 A HA -0.310 4.010 4.320 -0.001 0.000 0.218 559 A C 2.346 179.909 177.584 -0.035 0.000 1.181 559 A CA 2.389 54.389 52.037 -0.062 0.000 0.627 559 A CB -0.551 18.410 19.000 -0.065 0.000 0.818 559 A HN 0.530 nan 8.150 nan 0.000 0.445 560 K N -0.491 119.895 120.400 -0.022 0.000 2.057 560 K HA -0.183 4.137 4.320 -0.001 0.000 0.207 560 K C 1.406 178.008 176.600 0.004 0.000 1.049 560 K CA 1.577 57.861 56.287 -0.005 0.000 0.931 560 K CB -0.201 32.302 32.500 0.006 0.000 0.714 560 K HN 0.431 nan 8.250 nan 0.000 0.440 561 N N 0.634 119.340 118.700 0.009 0.000 2.459 561 N HA -0.083 4.657 4.740 -0.001 0.000 0.181 561 N C 1.261 176.771 175.510 0.000 0.000 1.046 561 N CA 0.786 53.847 53.050 0.019 0.000 0.904 561 N CB 0.132 38.642 38.487 0.038 0.000 0.964 561 N HN 0.268 nan 8.380 nan 0.000 0.444 562 L N -0.935 120.277 121.223 -0.019 0.000 2.640 562 L HA 0.254 4.594 4.340 -0.001 0.000 0.230 562 L C 0.917 177.772 176.870 -0.025 0.000 1.123 562 L CA -0.052 54.768 54.840 -0.034 0.000 0.900 562 L CB 0.063 42.086 42.059 -0.059 0.000 1.146 562 L HN 0.079 nan 8.230 nan 0.000 0.484 563 G N 1.501 110.292 108.800 -0.015 0.000 2.198 563 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.257 563 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.257 563 G C 0.010 174.901 174.900 -0.015 0.000 1.042 563 G CA 0.044 45.138 45.100 -0.010 0.000 0.791 563 G HN 0.304 nan 8.290 nan 0.000 0.502 564 I N -0.371 120.186 120.570 -0.022 0.000 2.460 564 I HA 0.532 4.702 4.170 -0.001 0.000 0.298 564 I C 0.154 176.256 176.117 -0.026 0.000 0.989 564 I CA -0.923 60.362 61.300 -0.025 0.000 1.173 564 I CB 1.911 39.889 38.000 -0.036 0.000 1.338 564 I HN 0.126 nan 8.210 nan 0.000 0.456 565 E N 5.657 125.843 120.200 -0.022 0.000 2.145 565 E HA 0.432 4.782 4.350 -0.001 0.000 0.270 565 E C -1.078 175.504 176.600 -0.029 0.000 0.906 565 E CA -0.528 55.858 56.400 -0.023 0.000 0.761 565 E CB 1.112 30.803 29.700 -0.016 0.000 1.116 565 E HN 0.404 nan 8.360 nan 0.000 0.408 566 L N 3.711 124.912 121.223 -0.038 0.000 2.456 566 L HA 0.189 4.528 4.340 -0.001 0.000 0.272 566 L C 0.967 177.814 176.870 -0.038 0.000 1.189 566 L CA -0.207 54.605 54.840 -0.046 0.000 0.846 566 L CB 0.434 42.456 42.059 -0.061 0.000 1.111 566 L HN 0.704 nan 8.230 nan 0.000 0.475 567 T N -2.249 112.282 114.554 -0.038 0.000 2.754 567 T HA 0.076 4.425 4.350 -0.001 0.000 0.286 567 T C 0.709 175.386 174.700 -0.038 0.000 0.997 567 T CA -0.734 61.347 62.100 -0.032 0.000 0.982 567 T CB 1.030 69.882 68.868 -0.026 0.000 1.027 567 T HN 0.496 nan 8.240 nan 0.000 0.529 568 D N 0.183 120.564 120.400 -0.031 0.000 2.144 568 D HA -0.032 4.608 4.640 -0.001 0.000 0.200 568 D C 1.680 177.955 176.300 -0.042 0.000 0.978 568 D CA 1.020 55.001 54.000 -0.033 0.000 0.833 568 D CB -0.341 40.445 40.800 -0.025 0.000 0.961 568 D HN 0.588 nan 8.370 nan 0.000 0.470 569 D N 0.350 120.726 120.400 -0.041 0.000 2.097 569 D HA -0.119 4.521 4.640 -0.001 0.000 0.195 569 D C 2.080 178.332 176.300 -0.081 0.000 0.989 569 D CA 0.799 54.769 54.000 -0.049 0.000 0.827 569 D CB -0.212 40.567 40.800 -0.035 0.000 0.966 569 D HN 0.293 nan 8.370 nan 0.000 0.456 570 Q N -0.199 119.551 119.800 -0.085 0.000 2.084 570 Q HA -0.077 4.263 4.340 -0.001 0.000 0.202 570 Q C 2.350 178.269 176.000 -0.135 0.000 0.978 570 Q CA 0.718 56.445 55.803 -0.126 0.000 0.844 570 Q CB -0.120 28.559 28.738 -0.098 0.000 0.898 570 Q HN 0.329 nan 8.270 nan 0.000 0.426 571 L N 0.698 121.864 121.223 -0.095 0.000 2.275 571 L HA -0.134 4.206 4.340 -0.001 0.000 0.215 571 L C 1.212 178.031 176.870 -0.085 0.000 1.119 571 L CA 0.462 55.251 54.840 -0.085 0.000 0.790 571 L CB -0.167 41.857 42.059 -0.059 0.000 0.919 571 L HN 0.207 nan 8.230 nan 0.000 0.443 572 N N -0.069 118.579 118.700 -0.086 0.000 2.268 572 N HA 0.230 4.969 4.740 -0.001 0.000 0.204 572 N C 0.269 175.718 175.510 -0.101 0.000 1.124 572 N CA 0.085 53.089 53.050 -0.077 0.000 0.838 572 N CB 0.423 38.877 38.487 -0.055 0.000 0.994 572 N HN 0.236 nan 8.380 nan 0.000 0.489 573 I N 1.525 122.000 120.570 -0.158 0.000 2.533 573 I HA -0.034 4.135 4.170 -0.001 0.000 0.284 573 I C 0.471 176.499 176.117 -0.150 0.000 1.109 573 I CA 0.290 61.463 61.300 -0.211 0.000 1.412 573 I CB 0.446 38.188 38.000 -0.430 0.000 1.396 573 I HN -0.154 nan 8.210 nan 0.000 0.543 574 T N 8.052 122.548 114.554 -0.096 0.000 2.870 574 T HA 0.176 4.526 4.350 -0.001 0.000 0.300 574 T C -2.058 172.611 174.700 -0.051 0.000 0.989 574 T CA -0.867 61.201 62.100 -0.053 0.000 1.139 574 T CB 0.252 69.110 68.868 -0.017 0.000 0.920 574 T HN 0.385 nan 8.240 nan 0.000 0.537 575 P HA 0.209 nan 4.420 nan 0.000 0.269 575 P C -2.391 174.928 177.300 0.031 0.000 1.215 575 P CA -1.400 61.691 63.100 -0.015 0.000 0.780 575 P CB -0.494 31.207 31.700 0.001 0.000 0.898 576 P HA 0.212 nan 4.420 nan 0.000 0.272 576 P C -2.436 174.920 177.300 0.093 0.000 1.230 576 P CA -1.261 61.910 63.100 0.118 0.000 0.788 576 P CB -1.012 30.805 31.700 0.195 0.000 0.949 577 P HA 0.114 nan 4.420 nan 0.000 0.270 577 P C -0.144 177.207 177.300 0.085 0.000 1.223 577 P CA 0.170 63.319 63.100 0.080 0.000 0.785 577 P CB 0.250 31.999 31.700 0.082 0.000 0.923 578 D N -0.307 120.135 120.400 0.071 0.000 2.361 578 D HA 0.082 4.722 4.640 -0.001 0.000 0.239 578 D C -0.179 176.170 176.300 0.082 0.000 1.200 578 D CA 0.034 54.072 54.000 0.064 0.000 0.915 578 D CB 0.448 41.280 40.800 0.053 0.000 1.170 578 D HN -0.040 nan 8.370 nan 0.000 0.444 579 V N 2.599 122.552 119.914 0.064 0.000 2.339 579 V HA 0.059 4.178 4.120 -0.001 0.000 0.261 579 V C 0.183 176.367 176.094 0.150 0.000 1.058 579 V CA -0.392 61.972 62.300 0.106 0.000 0.897 579 V CB -0.452 31.347 31.823 -0.040 0.000 1.052 579 V HN 0.607 nan 8.190 nan 0.000 0.480 580 N N 4.461 123.264 118.700 0.171 0.000 2.714 580 N HA -0.225 4.514 4.740 -0.001 0.000 0.252 580 N C 1.182 176.750 175.510 0.096 0.000 1.014 580 N CA 0.976 54.110 53.050 0.140 0.000 0.735 580 N CB -0.900 37.705 38.487 0.196 0.000 0.924 580 N HN 1.249 nan 8.380 nan 0.000 0.540 581 G N -1.885 106.960 108.800 0.075 0.000 2.184 581 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.264 581 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.264 581 G C 0.151 175.081 174.900 0.049 0.000 0.975 581 G CA 0.438 45.571 45.100 0.054 0.000 0.642 581 G HN 0.417 nan 8.290 nan 0.000 0.536 582 L N 0.185 121.440 121.223 0.055 0.000 2.331 582 L HA 0.381 4.720 4.340 -0.001 0.000 0.278 582 L C 1.441 178.326 176.870 0.025 0.000 1.106 582 L CA -0.233 54.630 54.840 0.038 0.000 0.824 582 L CB 1.047 43.129 42.059 0.038 0.000 1.142 582 L HN 0.048 nan 8.230 nan 0.000 0.443 583 K N 2.979 123.389 120.400 0.016 0.000 2.358 583 K HA 0.147 4.467 4.320 -0.001 0.000 0.200 583 K C -0.451 176.144 176.600 -0.009 0.000 1.030 583 K CA 0.025 56.318 56.287 0.010 0.000 1.097 583 K CB 0.449 32.955 32.500 0.009 0.000 0.862 583 K HN 0.590 nan 8.250 nan 0.000 0.534 584 K N -0.227 120.164 120.400 -0.016 0.000 2.818 584 K HA 0.175 4.494 4.320 -0.001 0.000 0.287 584 K C -2.315 174.269 176.600 -0.027 0.000 1.061 584 K CA -0.894 55.368 56.287 -0.042 0.000 0.858 584 K CB 1.028 33.485 32.500 -0.071 0.000 1.456 584 K HN -0.211 nan 8.250 nan 0.000 0.364 585 D N 2.235 122.614 120.400 -0.036 0.000 2.478 585 D HA 0.314 4.953 4.640 -0.001 0.000 0.240 585 D C -2.127 174.158 176.300 -0.025 0.000 1.364 585 D CA -2.042 51.955 54.000 -0.005 0.000 0.987 585 D CB 2.173 42.992 40.800 0.031 0.000 1.328 585 D HN 0.283 nan 8.370 nan 0.000 0.584 586 P HA -0.106 nan 4.420 nan 0.000 0.221 586 P C 1.261 178.555 177.300 -0.010 0.000 1.145 586 P CA 0.838 63.912 63.100 -0.042 0.000 0.795 586 P CB 0.169 31.854 31.700 -0.025 0.000 0.775 587 S N -1.129 114.597 115.700 0.044 0.000 2.507 587 S HA -0.035 4.434 4.470 -0.001 0.000 0.235 587 S C 1.633 176.317 174.600 0.140 0.000 0.988 587 S CA 0.677 58.939 58.200 0.104 0.000 0.944 587 S CB -1.351 61.938 63.200 0.148 0.000 0.762 587 S HN 0.147 nan 8.310 nan 0.000 0.526 588 L N 1.281 122.548 121.223 0.073 0.000 2.558 588 L HA 0.231 4.571 4.340 -0.001 0.000 0.225 588 L C 1.368 178.133 176.870 -0.174 0.000 1.128 588 L CA 0.039 54.915 54.840 0.061 0.000 0.868 588 L CB -0.210 41.871 42.059 0.038 0.000 1.006 588 L HN 0.321 nan 8.230 nan 0.000 0.454 589 S N -0.419 115.165 115.700 -0.193 0.000 2.585 589 S HA 0.323 4.793 4.470 -0.001 0.000 0.277 589 S C 1.047 175.532 174.600 -0.192 0.000 1.241 589 S CA -0.646 57.385 58.200 -0.282 0.000 1.041 589 S CB 1.457 64.488 63.200 -0.281 0.000 0.987 589 S HN 0.166 nan 8.310 nan 0.000 0.512 590 L N 2.985 124.020 121.223 -0.313 0.000 2.109 590 L HA 0.030 4.370 4.340 -0.001 0.000 0.207 590 L C 0.897 177.514 176.870 -0.422 0.000 1.086 590 L CA 1.104 55.675 54.840 -0.449 0.000 0.760 590 L CB -0.261 41.238 42.059 -0.933 0.000 0.910 590 L HN 0.767 nan 8.230 nan 0.000 0.437 591 Y N -2.107 118.194 120.300 0.002 0.000 2.453 591 Y HA 0.325 4.874 4.550 -0.000 0.000 0.247 591 Y C 2.137 178.059 175.900 0.037 0.000 1.124 591 Y CA -0.160 57.989 58.100 0.082 0.000 1.243 591 Y CB -0.464 38.089 38.460 0.156 0.000 1.213 591 Y HN -0.031 nan 8.280 nan 0.000 0.523 592 A N 0.670 123.519 122.820 0.048 0.000 1.908 592 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 592 A C 0.940 178.560 177.584 0.060 0.000 1.181 592 A CA 1.151 53.194 52.037 0.009 0.000 0.627 592 A CB -0.705 18.246 19.000 -0.081 0.000 0.818 592 A HN 0.295 nan 8.150 nan 0.000 0.445 593 I N 1.274 121.885 120.570 0.068 0.000 2.328 593 I HA 0.245 4.415 4.170 -0.001 0.000 0.287 593 I C -2.418 173.767 176.117 0.115 0.000 1.012 593 I CA -2.293 59.054 61.300 0.078 0.000 1.195 593 I CB 1.502 39.536 38.000 0.058 0.000 1.350 593 I HN 0.025 nan 8.210 nan 0.000 0.464 594 P HA -0.025 nan 4.420 nan 0.000 0.261 594 P C -0.315 177.058 177.300 0.121 0.000 1.173 594 P CA 0.363 63.550 63.100 0.146 0.000 0.760 594 P CB 0.399 32.172 31.700 0.121 0.000 0.783 595 D N 0.934 121.414 120.400 0.134 0.000 2.615 595 D HA 0.084 4.724 4.640 -0.001 0.000 0.274 595 D C 0.566 176.925 176.300 0.098 0.000 1.512 595 D CA -0.379 53.683 54.000 0.103 0.000 0.803 595 D CB -0.496 40.362 40.800 0.098 0.000 1.182 595 D HN 0.328 nan 8.370 nan 0.000 0.473 596 G N 0.219 109.088 108.800 0.114 0.000 2.484 596 G HA2 0.327 4.286 3.960 -0.001 0.000 0.235 596 G HA3 0.327 4.286 3.960 -0.001 0.000 0.235 596 G C -0.602 174.336 174.900 0.063 0.000 1.282 596 G CA 0.135 45.295 45.100 0.101 0.000 0.857 596 G HN 0.181 nan 8.290 nan 0.000 0.571 597 D N 0.529 120.959 120.400 0.049 0.000 2.763 597 D HA 0.165 4.805 4.640 -0.001 0.000 0.235 597 D C 0.911 177.223 176.300 0.020 0.000 1.334 597 D CA -0.481 53.534 54.000 0.026 0.000 0.950 597 D CB 1.648 42.456 40.800 0.015 0.000 1.433 597 D HN 0.317 nan 8.370 nan 0.000 0.580 598 V N 1.890 121.809 119.914 0.008 0.000 3.406 598 V HA 0.229 4.349 4.120 -0.001 0.000 0.263 598 V C 1.048 177.123 176.094 -0.032 0.000 1.172 598 V CA 0.240 62.539 62.300 -0.001 0.000 1.140 598 V CB -0.646 31.173 31.823 -0.007 0.000 0.784 598 V HN 0.398 nan 8.190 nan 0.000 0.467 599 K N 1.259 121.633 120.400 -0.044 0.000 2.472 599 K HA 0.368 4.688 4.320 -0.001 0.000 0.280 599 K C 1.250 177.807 176.600 -0.072 0.000 1.028 599 K CA 1.104 57.342 56.287 -0.081 0.000 1.045 599 K CB 0.072 32.532 32.500 -0.068 0.000 0.902 599 K HN 0.708 nan 8.250 nan 0.000 0.478 600 G N 3.268 111.992 108.800 -0.127 0.000 2.213 600 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.236 600 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.236 600 G C 0.095 175.033 174.900 0.063 0.000 0.991 600 G CA -0.255 44.842 45.100 -0.005 0.000 0.629 600 G HN 0.568 nan 8.290 nan 0.000 0.517 601 R N -0.107 120.400 120.500 0.011 0.000 2.738 601 R HA 0.676 5.015 4.340 -0.001 0.000 0.275 601 R C -0.018 176.336 176.300 0.089 0.000 1.121 601 R CA -0.025 56.114 56.100 0.065 0.000 1.207 601 R CB 0.942 31.274 30.300 0.053 0.000 1.141 601 R HN 0.665 nan 8.270 nan 0.000 0.571 602 V N 0.601 120.586 119.914 0.119 0.000 2.760 602 V HA 0.418 4.537 4.120 -0.001 0.000 0.309 602 V C -0.983 175.176 176.094 0.109 0.000 1.077 602 V CA -0.734 61.651 62.300 0.141 0.000 0.910 602 V CB 2.383 34.312 31.823 0.177 0.000 1.008 602 V HN 0.367 nan 8.190 nan 0.000 0.424 603 V N 5.605 125.577 119.914 0.097 0.000 2.581 603 V HA 0.834 4.954 4.120 -0.001 0.000 0.303 603 V C 0.522 176.674 176.094 0.095 0.000 1.041 603 V CA -0.141 62.208 62.300 0.082 0.000 0.907 603 V CB 1.774 33.631 31.823 0.058 0.000 0.994 603 V HN 1.167 nan 8.190 nan 0.000 0.442 604 A N 5.197 128.080 122.820 0.104 0.000 2.309 604 A HA 0.811 5.131 4.320 -0.001 0.000 0.298 604 A C -0.554 177.050 177.584 0.032 0.000 1.165 604 A CA -0.336 51.754 52.037 0.088 0.000 0.821 604 A CB 0.211 19.294 19.000 0.139 0.000 1.102 604 A HN 0.754 nan 8.150 nan 0.000 0.500 605 I N 3.220 123.802 120.570 0.019 0.000 2.382 605 I HA 0.201 4.370 4.170 -0.001 0.000 0.285 605 I C -0.685 175.441 176.117 0.016 0.000 1.007 605 I CA -0.177 61.135 61.300 0.019 0.000 1.142 605 I CB 1.412 39.433 38.000 0.035 0.000 1.289 605 I HN 0.490 nan 8.210 nan 0.000 0.453 606 L N 7.200 128.420 121.223 -0.005 0.000 2.342 606 L HA 0.387 4.726 4.340 -0.001 0.000 0.285 606 L C 0.097 177.063 176.870 0.160 0.000 1.095 606 L CA -0.271 54.619 54.840 0.085 0.000 0.843 606 L CB 0.029 42.013 42.059 -0.125 0.000 1.201 606 L HN 0.449 nan 8.230 nan 0.000 0.445 607 L N 3.573 124.929 121.223 0.223 0.000 2.475 607 L HA 0.319 4.659 4.340 -0.001 0.000 0.253 607 L C 0.175 177.220 176.870 0.291 0.000 1.198 607 L CA -0.385 54.545 54.840 0.151 0.000 0.814 607 L CB 0.864 42.918 42.059 -0.008 0.000 1.134 607 L HN 0.714 nan 8.230 nan 0.000 0.478 608 N N -2.391 116.384 118.700 0.125 0.000 2.697 608 N HA 0.223 4.963 4.740 -0.001 0.000 0.272 608 N C -0.483 174.998 175.510 -0.047 0.000 1.381 608 N CA -0.752 52.421 53.050 0.204 0.000 0.797 608 N CB 0.716 39.316 38.487 0.188 0.000 1.523 608 N HN 0.522 nan 8.380 nan 0.000 0.518 609 D N -2.021 118.395 120.400 0.026 0.000 2.363 609 D HA -0.006 4.634 4.640 -0.001 0.000 0.226 609 D C -0.136 176.130 176.300 -0.057 0.000 1.020 609 D CA 0.696 54.648 54.000 -0.080 0.000 0.892 609 D CB 0.004 40.829 40.800 0.041 0.000 0.900 609 D HN 0.662 nan 8.370 nan 0.000 0.531 610 E N 0.241 120.424 120.200 -0.029 0.000 4.090 610 E HA 0.197 4.547 4.350 -0.001 0.000 0.235 610 E C -1.141 175.446 176.600 -0.022 0.000 1.187 610 E CA -0.463 55.922 56.400 -0.025 0.000 1.308 610 E CB 0.384 30.079 29.700 -0.007 0.000 1.222 610 E HN -0.076 nan 8.360 nan 0.000 0.414 611 V N 1.749 121.641 119.914 -0.037 0.000 2.814 611 V HA -0.025 4.095 4.120 -0.001 0.000 0.307 611 V C 0.911 176.990 176.094 -0.026 0.000 1.089 611 V CA 0.507 62.791 62.300 -0.026 0.000 1.212 611 V CB 0.558 32.359 31.823 -0.037 0.000 0.912 611 V HN 0.428 nan 8.190 nan 0.000 0.497 612 R N 3.482 123.968 120.500 -0.023 0.000 2.291 612 R HA 0.106 4.445 4.340 -0.001 0.000 0.333 612 R C 1.566 177.845 176.300 -0.034 0.000 1.082 612 R CA 0.481 56.563 56.100 -0.030 0.000 0.948 612 R CB 0.417 30.696 30.300 -0.035 0.000 1.009 612 R HN 0.980 nan 8.270 nan 0.000 0.460 613 S N 3.232 118.913 115.700 -0.031 0.000 2.419 613 S HA -0.192 4.278 4.470 -0.001 0.000 0.233 613 S C 1.865 176.446 174.600 -0.032 0.000 1.016 613 S CA 0.868 59.050 58.200 -0.030 0.000 0.974 613 S CB -0.031 63.153 63.200 -0.026 0.000 0.786 613 S HN 0.696 nan 8.310 nan 0.000 0.492 614 A N 2.079 124.877 122.820 -0.036 0.000 1.930 614 A HA -0.059 4.261 4.320 -0.001 0.000 0.217 614 A C 1.968 179.518 177.584 -0.057 0.000 1.175 614 A CA 1.491 53.504 52.037 -0.041 0.000 0.627 614 A CB -0.694 18.280 19.000 -0.042 0.000 0.815 614 A HN 0.484 nan 8.150 nan 0.000 0.443 615 D N -0.393 119.965 120.400 -0.071 0.000 2.097 615 D HA -0.110 4.529 4.640 -0.001 0.000 0.197 615 D C 1.853 178.114 176.300 -0.064 0.000 0.984 615 D CA 1.074 55.014 54.000 -0.101 0.000 0.826 615 D CB -0.408 40.321 40.800 -0.119 0.000 0.973 615 D HN 0.302 nan 8.370 nan 0.000 0.460 616 L N 0.575 121.774 121.223 -0.040 0.000 2.017 616 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 616 L C 2.240 179.103 176.870 -0.012 0.000 1.073 616 L CA 1.175 56.004 54.840 -0.019 0.000 0.745 616 L CB -0.690 41.360 42.059 -0.016 0.000 0.894 616 L HN 0.000 nan 8.230 nan 0.000 0.432 617 L N -0.486 120.727 121.223 -0.018 0.000 2.013 617 L HA -0.227 4.113 4.340 -0.001 0.000 0.212 617 L C 2.511 179.376 176.870 -0.007 0.000 1.073 617 L CA 2.226 57.059 54.840 -0.012 0.000 0.753 617 L CB -0.883 41.167 42.059 -0.016 0.000 0.890 617 L HN 0.317 nan 8.230 nan 0.000 0.432 618 A N -0.749 122.062 122.820 -0.016 0.000 1.898 618 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 618 A C 2.236 179.830 177.584 0.016 0.000 1.181 618 A CA 1.918 53.950 52.037 -0.007 0.000 0.620 618 A CB -0.818 18.164 19.000 -0.030 0.000 0.819 618 A HN 0.491 nan 8.150 nan 0.000 0.442 619 I N -0.195 120.386 120.570 0.017 0.000 2.142 619 I HA -0.274 3.896 4.170 -0.001 0.000 0.240 619 I C 2.367 178.510 176.117 0.043 0.000 1.078 619 I CA 1.320 62.653 61.300 0.054 0.000 1.343 619 I CB -0.365 37.670 38.000 0.059 0.000 1.046 619 I HN 0.280 nan 8.210 nan 0.000 0.405 620 L N 0.483 121.723 121.223 0.028 0.000 2.131 620 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 620 L C 2.620 179.501 176.870 0.020 0.000 1.092 620 L CA 1.323 56.178 54.840 0.025 0.000 0.759 620 L CB -0.667 41.404 42.059 0.020 0.000 0.903 620 L HN 0.286 nan 8.230 nan 0.000 0.435 621 K N 0.710 121.120 120.400 0.016 0.000 2.057 621 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 621 K C 2.146 178.754 176.600 0.013 0.000 1.050 621 K CA 1.374 57.668 56.287 0.012 0.000 0.935 621 K CB -0.035 32.471 32.500 0.010 0.000 0.715 621 K HN 0.249 nan 8.250 nan 0.000 0.439 622 A N 1.345 124.178 122.820 0.022 0.000 1.930 622 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 622 A C 2.113 179.704 177.584 0.012 0.000 1.175 622 A CA 0.967 53.017 52.037 0.023 0.000 0.627 622 A CB -0.459 18.567 19.000 0.043 0.000 0.815 622 A HN 0.302 nan 8.150 nan 0.000 0.443 623 L N -0.636 120.595 121.223 0.013 0.000 2.056 623 L HA -0.180 4.160 4.340 -0.001 0.000 0.207 623 L C 2.618 179.472 176.870 -0.027 0.000 1.078 623 L CA 1.855 56.692 54.840 -0.005 0.000 0.749 623 L CB -0.463 41.599 42.059 0.007 0.000 0.901 623 L HN 0.448 nan 8.230 nan 0.000 0.433 624 K N 0.636 121.028 120.400 -0.012 0.000 2.057 624 K HA -0.189 4.131 4.320 -0.001 0.000 0.207 624 K C 2.080 178.665 176.600 -0.025 0.000 1.049 624 K CA 1.381 57.658 56.287 -0.017 0.000 0.931 624 K CB -0.077 32.424 32.500 0.001 0.000 0.714 624 K HN 0.272 nan 8.250 nan 0.000 0.440 625 A N 0.892 123.703 122.820 -0.015 0.000 2.070 625 A HA -0.091 4.229 4.320 -0.001 0.000 0.220 625 A C 1.505 179.075 177.584 -0.024 0.000 1.159 625 A CA 1.239 53.267 52.037 -0.014 0.000 0.656 625 A CB -0.043 18.954 19.000 -0.005 0.000 0.800 625 A HN 0.163 nan 8.150 nan 0.000 0.453 626 K N -1.522 118.857 120.400 -0.035 0.000 2.358 626 K HA 0.217 4.537 4.320 -0.001 0.000 0.200 626 K C 0.880 177.432 176.600 -0.079 0.000 1.030 626 K CA 0.604 56.864 56.287 -0.044 0.000 1.097 626 K CB 0.270 32.748 32.500 -0.035 0.000 0.862 626 K HN 0.675 nan 8.250 nan 0.000 0.534 627 G N 1.778 110.514 108.800 -0.105 0.000 2.176 627 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.252 627 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.252 627 G C 0.032 174.730 174.900 -0.336 0.000 1.024 627 G CA 0.206 45.194 45.100 -0.187 0.000 0.755 627 G HN 0.102 nan 8.290 nan 0.000 0.507 628 V N 2.392 122.156 119.914 -0.251 0.000 2.439 628 V HA 0.450 4.569 4.120 -0.001 0.000 0.282 628 V C 0.758 176.697 176.094 -0.259 0.000 1.039 628 V CA -1.117 61.033 62.300 -0.250 0.000 0.913 628 V CB 1.198 32.965 31.823 -0.094 0.000 0.983 628 V HN 0.373 nan 8.190 nan 0.000 0.460 629 H N 2.490 121.572 119.070 0.019 0.000 2.508 629 H HA 0.764 5.320 4.556 -0.001 0.000 0.358 629 H C 0.145 175.492 175.328 0.032 0.000 1.212 629 H CA -0.161 55.901 56.048 0.022 0.000 1.356 629 H CB 1.753 31.529 29.762 0.023 0.000 1.525 629 H HN 0.765 nan 8.280 nan 0.000 0.578 630 A N 1.240 124.162 122.820 0.171 0.000 2.413 630 A HA 0.559 4.879 4.320 -0.001 0.000 0.307 630 A C -0.743 176.896 177.584 0.092 0.000 1.087 630 A CA -0.931 51.171 52.037 0.108 0.000 0.750 630 A CB 1.419 20.464 19.000 0.076 0.000 1.296 630 A HN 0.748 nan 8.150 nan 0.000 0.423 631 K N 2.133 122.581 120.400 0.080 0.000 2.463 631 K HA 0.659 4.978 4.320 -0.001 0.000 0.255 631 K C -1.619 175.010 176.600 0.048 0.000 0.942 631 K CA -0.478 55.848 56.287 0.065 0.000 0.814 631 K CB 1.422 33.970 32.500 0.080 0.000 1.122 631 K HN 0.500 nan 8.250 nan 0.000 0.425 632 L N 5.179 126.420 121.223 0.030 0.000 2.278 632 L HA 0.374 4.713 4.340 -0.001 0.000 0.287 632 L C -0.428 176.445 176.870 0.006 0.000 1.072 632 L CA -0.767 54.083 54.840 0.017 0.000 0.819 632 L CB 0.304 42.364 42.059 0.002 0.000 1.176 632 L HN 0.528 nan 8.230 nan 0.000 0.435 633 L N 3.702 124.930 121.223 0.009 0.000 2.334 633 L HA 0.588 4.928 4.340 -0.001 0.000 0.273 633 L C -0.805 176.006 176.870 -0.098 0.000 1.013 633 L CA -0.734 54.073 54.840 -0.054 0.000 0.816 633 L CB 1.902 43.946 42.059 -0.024 0.000 1.278 633 L HN 0.408 nan 8.230 nan 0.000 0.431 634 Y N -0.488 119.440 120.300 -0.620 0.000 2.829 634 Y HA 0.181 4.731 4.550 -0.001 0.000 0.322 634 Y C 0.850 176.031 175.900 -1.199 0.000 1.357 634 Y CA -0.748 56.875 58.100 -0.795 0.000 1.081 634 Y CB 1.648 39.929 38.460 -0.297 0.000 1.339 634 Y HN 0.558 nan 8.280 nan 0.000 0.469 635 S N 0.660 115.484 115.700 -1.460 0.000 2.562 635 S HA 0.220 4.689 4.470 -0.001 0.000 0.221 635 S C 0.080 174.395 174.600 -0.474 0.000 0.975 635 S CA 0.423 58.120 58.200 -0.839 0.000 0.918 635 S CB -0.244 62.609 63.200 -0.579 0.000 0.772 635 S HN 0.615 nan 8.310 nan 0.000 0.531 636 R N -1.329 118.958 120.500 -0.355 0.000 2.766 636 R HA 0.638 4.978 4.340 -0.001 0.000 0.270 636 R C -0.877 175.416 176.300 -0.012 0.000 1.035 636 R CA -1.107 54.926 56.100 -0.112 0.000 0.911 636 R CB 0.520 30.800 30.300 -0.034 0.000 1.243 636 R HN -0.065 nan 8.270 nan 0.000 0.460 637 M N 0.039 119.638 119.600 -0.002 0.000 2.336 637 M HA 0.567 5.047 4.480 -0.001 0.000 0.256 637 M C 0.957 177.274 176.300 0.028 0.000 1.176 637 M CA 0.716 56.022 55.300 0.009 0.000 0.948 637 M CB 0.600 33.197 32.600 -0.005 0.000 1.393 637 M HN 1.053 nan 8.290 nan 0.000 0.528 638 G N 0.850 109.657 108.800 0.012 0.000 2.601 638 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.224 638 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.224 638 G C -0.893 174.002 174.900 -0.008 0.000 1.171 638 G CA -0.473 44.631 45.100 0.006 0.000 1.009 638 G HN 0.623 nan 8.290 nan 0.000 0.589 639 E N -1.062 119.127 120.200 -0.019 0.000 2.416 639 E HA 0.636 4.986 4.350 -0.001 0.000 0.273 639 E C -0.489 176.052 176.600 -0.098 0.000 0.935 639 E CA -0.519 55.850 56.400 -0.053 0.000 0.784 639 E CB 2.954 32.629 29.700 -0.041 0.000 1.301 639 E HN 1.266 nan 8.360 nan 0.000 0.454 640 V N -1.907 117.914 119.914 -0.154 0.000 2.962 640 V HA 0.718 4.837 4.120 -0.001 0.000 0.313 640 V C -0.565 175.446 176.094 -0.138 0.000 1.099 640 V CA -0.718 61.453 62.300 -0.215 0.000 0.971 640 V CB 1.951 33.515 31.823 -0.431 0.000 1.028 640 V HN 0.625 nan 8.190 nan 0.000 0.430 641 T N 2.690 117.177 114.554 -0.112 0.000 2.779 641 T HA 0.782 5.131 4.350 -0.001 0.000 0.280 641 T C 0.372 175.029 174.700 -0.071 0.000 0.987 641 T CA 0.281 62.337 62.100 -0.074 0.000 0.966 641 T CB 1.405 70.243 68.868 -0.050 0.000 0.933 641 T HN 1.363 nan 8.240 nan 0.000 0.442 642 A N 2.269 125.053 122.820 -0.060 0.000 2.310 642 A HA 0.327 4.647 4.320 -0.001 0.000 0.260 642 A C 1.544 179.105 177.584 -0.037 0.000 1.112 642 A CA -0.270 51.737 52.037 -0.050 0.000 0.804 642 A CB 0.026 19.001 19.000 -0.042 0.000 1.081 642 A HN 0.906 nan 8.150 nan 0.000 0.499 643 D N -0.439 119.943 120.400 -0.031 0.000 2.263 643 D HA -0.165 4.474 4.640 -0.001 0.000 0.208 643 D C 0.548 176.835 176.300 -0.022 0.000 0.971 643 D CA 1.434 55.420 54.000 -0.024 0.000 0.867 643 D CB -0.220 40.567 40.800 -0.022 0.000 0.929 643 D HN 0.580 nan 8.370 nan 0.000 0.492 644 D N -1.476 118.910 120.400 -0.022 0.000 2.368 644 D HA 0.201 4.840 4.640 -0.001 0.000 0.218 644 D C 1.612 177.900 176.300 -0.019 0.000 1.112 644 D CA 0.354 54.343 54.000 -0.019 0.000 0.834 644 D CB -0.005 40.784 40.800 -0.018 0.000 0.953 644 D HN 0.330 nan 8.370 nan 0.000 0.505 645 G N -0.001 108.786 108.800 -0.022 0.000 2.195 645 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.246 645 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.246 645 G C 0.451 175.337 174.900 -0.024 0.000 0.984 645 G CA 0.208 45.295 45.100 -0.021 0.000 0.633 645 G HN 0.429 nan 8.290 nan 0.000 0.525 646 T N 1.546 116.085 114.554 -0.025 0.000 2.867 646 T HA 0.404 4.754 4.350 -0.001 0.000 0.297 646 T C 0.650 175.330 174.700 -0.033 0.000 0.989 646 T CA 0.222 62.306 62.100 -0.025 0.000 1.159 646 T CB 2.027 70.880 68.868 -0.025 0.000 0.928 646 T HN 0.490 nan 8.240 nan 0.000 0.538 647 V N 5.775 125.671 119.914 -0.030 0.000 2.432 647 V HA 0.302 4.422 4.120 -0.001 0.000 0.275 647 V C 0.221 176.292 176.094 -0.039 0.000 1.043 647 V CA -0.533 61.745 62.300 -0.037 0.000 0.925 647 V CB 0.734 32.540 31.823 -0.028 0.000 0.985 647 V HN 0.684 nan 8.190 nan 0.000 0.466 648 L N 8.201 129.391 121.223 -0.055 0.000 2.294 648 L HA 0.449 4.789 4.340 -0.001 0.000 0.283 648 L C -2.298 174.539 176.870 -0.056 0.000 1.015 648 L CA -1.786 53.021 54.840 -0.054 0.000 0.831 648 L CB 1.932 43.947 42.059 -0.074 0.000 1.217 648 L HN 0.432 nan 8.230 nan 0.000 0.420 649 P HA 0.170 nan 4.420 nan 0.000 0.271 649 P C -0.472 176.811 177.300 -0.029 0.000 1.216 649 P CA 0.010 63.093 63.100 -0.028 0.000 0.776 649 P CB 0.979 32.670 31.700 -0.015 0.000 0.881 650 I N 1.940 122.495 120.570 -0.025 0.000 2.342 650 I HA 0.207 4.377 4.170 -0.001 0.000 0.291 650 I C 1.568 177.680 176.117 -0.009 0.000 1.010 650 I CA -0.397 60.892 61.300 -0.018 0.000 1.308 650 I CB 1.386 39.385 38.000 -0.003 0.000 1.400 650 I HN 0.360 nan 8.210 nan 0.000 0.488 651 A N 5.312 128.129 122.820 -0.005 0.000 1.930 651 A HA 0.503 4.823 4.320 -0.001 0.000 0.215 651 A C 1.010 178.596 177.584 0.003 0.000 1.176 651 A CA 1.339 53.379 52.037 0.004 0.000 0.632 651 A CB -0.001 19.009 19.000 0.017 0.000 0.819 651 A HN 0.814 nan 8.150 nan 0.000 0.445 652 A N -2.180 120.636 122.820 -0.008 0.000 2.586 652 A HA 0.579 4.899 4.320 -0.001 0.000 0.290 652 A C -0.026 177.517 177.584 -0.068 0.000 1.086 652 A CA 0.091 52.121 52.037 -0.012 0.000 0.665 652 A CB -0.195 18.822 19.000 0.028 0.000 1.279 652 A HN 0.754 nan 8.150 nan 0.000 0.423 653 T N -1.675 112.831 114.554 -0.081 0.000 2.847 653 T HA 0.561 4.911 4.350 -0.001 0.000 0.279 653 T C 0.936 175.581 174.700 -0.091 0.000 0.984 653 T CA 0.045 62.024 62.100 -0.201 0.000 0.988 653 T CB 0.093 68.873 68.868 -0.148 0.000 1.040 653 T HN 0.461 nan 8.240 nan 0.000 0.528 654 F N 0.452 120.422 119.950 0.033 0.000 2.126 654 F HA -0.012 4.514 4.527 -0.001 0.000 0.299 654 F C 2.955 178.887 175.800 0.219 0.000 1.096 654 F CA 1.022 59.092 58.000 0.117 0.000 1.255 654 F CB -0.631 38.411 39.000 0.070 0.000 0.997 654 F HN 0.697 nan 8.300 nan 0.000 0.479 655 A N 0.228 123.215 122.820 0.279 0.000 2.016 655 A HA 0.068 4.387 4.320 -0.001 0.000 0.217 655 A C 2.418 180.076 177.584 0.123 0.000 1.162 655 A CA 1.307 53.453 52.037 0.181 0.000 0.662 655 A CB -1.370 17.695 19.000 0.108 0.000 0.812 655 A HN 0.387 nan 8.150 nan 0.000 0.450 656 G N -0.799 108.059 108.800 0.097 0.000 2.448 656 G HA2 0.267 4.227 3.960 -0.001 0.000 0.218 656 G HA3 0.267 4.227 3.960 -0.001 0.000 0.218 656 G C 0.650 175.600 174.900 0.084 0.000 1.135 656 G CA 0.993 46.131 45.100 0.063 0.000 0.784 656 G HN 1.093 nan 8.290 nan 0.000 0.543 657 A N 0.863 123.768 122.820 0.142 0.000 3.082 657 A HA 0.679 4.999 4.320 -0.001 0.000 0.328 657 A C -2.624 175.107 177.584 0.246 0.000 1.089 657 A CA -1.150 50.983 52.037 0.160 0.000 0.802 657 A CB 1.236 20.329 19.000 0.155 0.000 1.138 657 A HN 0.099 nan 8.150 nan 0.000 0.474 658 P HA 0.014 nan 4.420 nan 0.000 0.270 658 P C 1.363 178.499 177.300 -0.273 0.000 1.227 658 P CA 0.504 63.560 63.100 -0.074 0.000 0.788 658 P CB 0.683 32.323 31.700 -0.100 0.000 0.926 659 S N 0.856 116.025 115.700 -0.885 0.000 2.419 659 S HA -0.175 4.294 4.470 -0.001 0.000 0.235 659 S C 1.869 176.326 174.600 -0.239 0.000 1.019 659 S CA 1.146 58.970 58.200 -0.626 0.000 0.982 659 S CB -1.439 61.316 63.200 -0.740 0.000 0.789 659 S HN 0.370 nan 8.310 nan 0.000 0.490 660 L N 1.878 122.969 121.223 -0.220 0.000 2.137 660 L HA -0.134 4.206 4.340 -0.001 0.000 0.213 660 L C 2.957 179.671 176.870 -0.260 0.000 1.085 660 L CA 1.750 56.459 54.840 -0.219 0.000 0.760 660 L CB -1.612 40.292 42.059 -0.258 0.000 0.893 660 L HN 0.653 nan 8.230 nan 0.000 0.434 661 T N -3.139 111.329 114.554 -0.143 0.000 3.129 661 T HA 0.238 4.588 4.350 -0.001 0.000 0.251 661 T C 0.355 175.153 174.700 0.163 0.000 1.117 661 T CA 0.169 62.276 62.100 0.012 0.000 1.034 661 T CB -0.417 68.535 68.868 0.141 0.000 0.968 661 T HN 0.179 nan 8.240 nan 0.000 0.526 662 V N -2.773 117.196 119.914 0.091 0.000 3.126 662 V HA 0.584 4.703 4.120 -0.001 0.000 0.314 662 V C -0.178 175.961 176.094 0.075 0.000 1.138 662 V CA -0.970 61.404 62.300 0.124 0.000 1.034 662 V CB 2.149 34.059 31.823 0.146 0.000 1.075 662 V HN 0.001 nan 8.190 nan 0.000 0.442 663 D N 0.864 121.310 120.400 0.076 0.000 2.366 663 D HA 0.510 5.150 4.640 -0.001 0.000 0.205 663 D C 0.539 176.827 176.300 -0.020 0.000 1.022 663 D CA 1.428 55.448 54.000 0.033 0.000 0.868 663 D CB 1.542 42.384 40.800 0.070 0.000 0.953 663 D HN 0.992 nan 8.370 nan 0.000 0.514 664 A N 0.110 122.934 122.820 0.007 0.000 2.586 664 A HA 0.539 4.858 4.320 -0.001 0.000 0.291 664 A C -1.601 176.002 177.584 0.031 0.000 1.062 664 A CA -0.554 51.474 52.037 -0.015 0.000 0.666 664 A CB 1.454 20.433 19.000 -0.035 0.000 1.281 664 A HN -0.107 nan 8.150 nan 0.000 0.421 665 V N 0.967 120.892 119.914 0.018 0.000 2.638 665 V HA 0.604 4.723 4.120 -0.001 0.000 0.306 665 V C -0.719 175.384 176.094 0.015 0.000 1.052 665 V CA -0.230 62.096 62.300 0.044 0.000 0.885 665 V CB 1.587 33.456 31.823 0.077 0.000 0.999 665 V HN 0.703 nan 8.190 nan 0.000 0.424 666 I N 4.008 124.594 120.570 0.027 0.000 2.465 666 I HA 0.562 4.731 4.170 -0.001 0.000 0.291 666 I C -0.914 175.234 176.117 0.051 0.000 1.014 666 I CA -0.945 60.398 61.300 0.072 0.000 1.093 666 I CB 2.341 40.414 38.000 0.122 0.000 1.267 666 I HN 0.288 nan 8.210 nan 0.000 0.431 667 V N 7.373 127.335 119.914 0.081 0.000 2.326 667 V HA 0.349 4.469 4.120 -0.001 0.000 0.281 667 V C -2.144 174.008 176.094 0.096 0.000 1.015 667 V CA -1.608 60.726 62.300 0.056 0.000 0.823 667 V CB 1.188 33.022 31.823 0.018 0.000 1.009 667 V HN 0.552 nan 8.190 nan 0.000 0.436 668 P HA 0.224 nan 4.420 nan 0.000 0.274 668 P C 0.088 177.405 177.300 0.029 0.000 1.246 668 P CA -0.232 62.880 63.100 0.020 0.000 0.795 668 P CB 1.213 32.917 31.700 0.006 0.000 1.006 669 C N 0.150 119.444 119.300 -0.010 0.000 2.574 669 C HA 0.810 5.270 4.460 -0.001 0.000 0.335 669 C C 1.219 176.215 174.990 0.009 0.000 1.493 669 C CA 1.352 60.373 59.018 0.005 0.000 2.217 669 C CB -0.268 27.459 27.740 -0.022 0.000 2.056 669 C HN 0.918 nan 8.230 nan 0.000 0.607 670 G N 1.502 110.309 108.800 0.011 0.000 2.295 670 G HA2 0.016 3.976 3.960 -0.001 0.000 0.155 670 G HA3 0.016 3.976 3.960 -0.001 0.000 0.155 670 G C -0.990 173.921 174.900 0.019 0.000 1.307 670 G CA 0.021 45.127 45.100 0.010 0.000 1.140 670 G HN 0.886 nan 8.290 nan 0.000 0.470 671 N N 1.923 120.640 118.700 0.030 0.000 2.968 671 N HA 0.260 5.000 4.740 -0.001 0.000 0.271 671 N C 1.668 177.212 175.510 0.057 0.000 1.174 671 N CA -0.468 52.604 53.050 0.035 0.000 1.096 671 N CB -0.201 38.309 38.487 0.038 0.000 1.403 671 N HN 0.379 nan 8.380 nan 0.000 0.522 672 I N 1.111 121.705 120.570 0.040 0.000 2.454 672 I HA -0.198 3.972 4.170 -0.001 0.000 0.254 672 I C 2.065 178.188 176.117 0.009 0.000 1.156 672 I CA 0.655 61.980 61.300 0.042 0.000 1.433 672 I CB -1.512 36.482 38.000 -0.010 0.000 1.082 672 I HN 0.478 nan 8.210 nan 0.000 0.432 673 A N 0.804 123.620 122.820 -0.006 0.000 1.986 673 A HA -0.303 4.016 4.320 -0.001 0.000 0.220 673 A C 2.097 179.700 177.584 0.031 0.000 1.171 673 A CA 2.243 54.274 52.037 -0.009 0.000 0.640 673 A CB -0.780 18.216 19.000 -0.007 0.000 0.811 673 A HN 0.435 nan 8.150 nan 0.000 0.451 674 D N 0.206 120.651 120.400 0.074 0.000 2.123 674 D HA -0.150 4.490 4.640 -0.001 0.000 0.196 674 D C 1.543 177.926 176.300 0.139 0.000 0.992 674 D CA 1.813 55.884 54.000 0.119 0.000 0.833 674 D CB -0.203 40.704 40.800 0.179 0.000 0.954 674 D HN 0.657 nan 8.370 nan 0.000 0.455 675 I N -3.915 116.758 120.570 0.171 0.000 4.154 675 I HA 0.488 4.657 4.170 -0.001 0.000 0.334 675 I C 1.877 178.123 176.117 0.215 0.000 1.371 675 I CA -0.085 61.342 61.300 0.211 0.000 1.110 675 I CB 0.186 38.364 38.000 0.295 0.000 1.085 675 I HN -0.096 nan 8.210 nan 0.000 0.398 676 A N 1.777 124.631 122.820 0.056 0.000 1.940 676 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 676 A C 1.586 179.139 177.584 -0.051 0.000 1.176 676 A CA 2.131 54.066 52.037 -0.169 0.000 0.631 676 A CB -0.504 18.345 19.000 -0.251 0.000 0.814 676 A HN 0.534 nan 8.150 nan 0.000 0.446 677 D N -0.563 119.842 120.400 0.008 0.000 2.368 677 D HA 0.028 4.668 4.640 -0.001 0.000 0.218 677 D C -0.014 176.316 176.300 0.050 0.000 1.112 677 D CA -0.185 53.827 54.000 0.020 0.000 0.834 677 D CB -0.263 40.540 40.800 0.004 0.000 0.953 677 D HN 0.351 nan 8.370 nan 0.000 0.505 678 N N 1.224 119.971 118.700 0.079 0.000 2.420 678 N HA 0.027 4.766 4.740 -0.001 0.000 0.262 678 N C 1.376 176.922 175.510 0.060 0.000 1.144 678 N CA 0.004 53.097 53.050 0.071 0.000 0.952 678 N CB 1.467 40.007 38.487 0.088 0.000 1.081 678 N HN 0.004 nan 8.380 nan 0.000 0.480 679 G N 3.520 112.353 108.800 0.056 0.000 2.476 679 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 679 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 679 G C 0.963 175.910 174.900 0.079 0.000 1.164 679 G CA 0.683 45.818 45.100 0.058 0.000 0.768 679 G HN 0.606 nan 8.290 nan 0.000 0.560 680 D N 0.867 121.321 120.400 0.090 0.000 2.144 680 D HA -0.002 4.638 4.640 -0.001 0.000 0.199 680 D C 2.789 179.082 176.300 -0.011 0.000 0.984 680 D CA 1.172 55.257 54.000 0.140 0.000 0.834 680 D CB -0.450 40.499 40.800 0.250 0.000 0.955 680 D HN 0.323 nan 8.370 nan 0.000 0.465 681 A N 0.998 123.634 122.820 -0.307 0.000 1.898 681 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 681 A C 2.025 179.384 177.584 -0.376 0.000 1.181 681 A CA 1.171 52.767 52.037 -0.735 0.000 0.620 681 A CB -0.421 18.094 19.000 -0.809 0.000 0.819 681 A HN 0.151 nan 8.150 nan 0.000 0.442 682 N N -1.583 117.055 118.700 -0.104 0.000 2.142 682 N HA -0.165 4.574 4.740 -0.001 0.000 0.186 682 N C 1.686 177.188 175.510 -0.013 0.000 1.023 682 N CA 1.672 54.721 53.050 -0.001 0.000 0.852 682 N CB -0.398 38.165 38.487 0.127 0.000 0.998 682 N HN 0.682 nan 8.380 nan 0.000 0.424 683 Y N 0.524 120.790 120.300 -0.056 0.000 2.293 683 Y HA -0.245 4.305 4.550 -0.001 0.000 0.291 683 Y C 2.335 178.194 175.900 -0.070 0.000 1.137 683 Y CA 1.128 59.195 58.100 -0.056 0.000 1.202 683 Y CB -0.280 38.155 38.460 -0.041 0.000 0.990 683 Y HN 0.030 nan 8.280 nan 0.000 0.537 684 Y N 0.298 120.458 120.300 -0.234 0.000 2.165 684 Y HA -0.302 4.247 4.550 -0.001 0.000 0.286 684 Y C 2.002 177.706 175.900 -0.327 0.000 1.155 684 Y CA 2.072 60.011 58.100 -0.268 0.000 1.164 684 Y CB -0.386 37.919 38.460 -0.258 0.000 0.978 684 Y HN 0.121 nan 8.280 nan 0.000 0.513 685 L N -1.165 119.984 121.223 -0.123 0.000 2.109 685 L HA -0.224 4.116 4.340 -0.001 0.000 0.207 685 L C 2.362 179.115 176.870 -0.194 0.000 1.086 685 L CA 1.138 55.888 54.840 -0.150 0.000 0.760 685 L CB -0.481 41.456 42.059 -0.203 0.000 0.910 685 L HN 0.269 nan 8.230 nan 0.000 0.437 686 M N -0.577 118.851 119.600 -0.287 0.000 2.132 686 M HA -0.215 4.264 4.480 -0.001 0.000 0.263 686 M C 2.244 178.291 176.300 -0.421 0.000 1.065 686 M CA 1.692 56.812 55.300 -0.299 0.000 1.122 686 M CB -0.422 32.010 32.600 -0.280 0.000 1.365 686 M HN 0.223 nan 8.290 nan 0.000 0.411 687 E N 0.738 120.500 120.200 -0.731 0.000 2.047 687 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 687 E C 2.029 178.278 176.600 -0.585 0.000 0.987 687 E CA 1.309 57.250 56.400 -0.765 0.000 0.799 687 E CB 0.025 29.230 29.700 -0.826 0.000 0.752 687 E HN 0.465 nan 8.360 nan 0.000 0.449 688 A N 0.273 122.867 122.820 -0.376 0.000 1.933 688 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 688 A C 2.030 179.515 177.584 -0.165 0.000 1.175 688 A CA 1.490 53.396 52.037 -0.218 0.000 0.628 688 A CB -0.894 18.032 19.000 -0.123 0.000 0.814 688 A HN 0.563 nan 8.150 nan 0.000 0.444 689 Y N 0.472 120.619 120.300 -0.255 0.000 2.163 689 Y HA -0.194 4.355 4.550 -0.001 0.000 0.288 689 Y C 2.421 178.199 175.900 -0.202 0.000 1.136 689 Y CA 2.352 60.331 58.100 -0.201 0.000 1.147 689 Y CB -0.226 38.131 38.460 -0.173 0.000 0.987 689 Y HN 0.304 nan 8.280 nan 0.000 0.509 690 K N -0.498 119.804 120.400 -0.163 0.000 2.063 690 K HA -0.243 4.077 4.320 -0.001 0.000 0.208 690 K C 1.131 177.623 176.600 -0.181 0.000 1.048 690 K CA 2.129 58.290 56.287 -0.211 0.000 0.928 690 K CB -0.493 31.830 32.500 -0.296 0.000 0.713 690 K HN 0.587 nan 8.250 nan 0.000 0.442 691 H N 0.472 119.430 119.070 -0.187 0.000 2.566 691 H HA 0.157 4.713 4.556 -0.001 0.000 0.280 691 H C 0.009 175.177 175.328 -0.267 0.000 1.042 691 H CA 0.193 56.122 56.048 -0.197 0.000 1.168 691 H CB -0.008 29.635 29.762 -0.199 0.000 1.340 691 H HN 0.151 nan 8.280 nan 0.000 0.597 692 L N -0.201 120.877 121.223 -0.242 0.000 4.089 692 L HA -0.282 4.058 4.340 -0.001 0.000 0.408 692 L C -0.281 176.329 176.870 -0.433 0.000 1.184 692 L CA 0.605 55.209 54.840 -0.394 0.000 0.947 692 L CB -1.703 40.095 42.059 -0.435 0.000 2.066 692 L HN 0.315 nan 8.230 nan 0.000 0.851 693 K N 0.788 121.000 120.400 -0.314 0.000 2.144 693 K HA 0.465 4.785 4.320 -0.001 0.000 0.270 693 K C -2.130 174.333 176.600 -0.229 0.000 1.005 693 K CA -1.780 54.343 56.287 -0.273 0.000 0.932 693 K CB 0.701 33.095 32.500 -0.177 0.000 1.021 693 K HN -0.208 nan 8.250 nan 0.000 0.462 694 P HA 0.051 nan 4.420 nan 0.000 0.268 694 P C -0.800 176.433 177.300 -0.113 0.000 1.204 694 P CA 0.359 63.357 63.100 -0.170 0.000 0.768 694 P CB 0.419 32.019 31.700 -0.168 0.000 0.842 695 I N 1.929 122.444 120.570 -0.091 0.000 2.498 695 I HA 0.610 4.780 4.170 -0.001 0.000 0.290 695 I C -0.340 175.725 176.117 -0.087 0.000 1.032 695 I CA -0.803 60.463 61.300 -0.056 0.000 1.073 695 I CB 2.174 40.169 38.000 -0.008 0.000 1.251 695 I HN 0.261 nan 8.210 nan 0.000 0.426 696 A N 7.713 130.487 122.820 -0.075 0.000 2.343 696 A HA 0.877 5.196 4.320 -0.001 0.000 0.308 696 A C -1.111 176.565 177.584 0.153 0.000 1.092 696 A CA -0.430 51.529 52.037 -0.130 0.000 0.751 696 A CB 0.952 19.710 19.000 -0.404 0.000 1.203 696 A HN 0.663 nan 8.150 nan 0.000 0.452 697 L N 2.252 123.622 121.223 0.244 0.000 2.349 697 L HA 0.740 5.079 4.340 -0.001 0.000 0.278 697 L C 0.255 177.341 176.870 0.360 0.000 0.996 697 L CA -0.542 54.464 54.840 0.277 0.000 0.825 697 L CB 1.952 44.117 42.059 0.176 0.000 1.243 697 L HN 0.786 nan 8.230 nan 0.000 0.412 698 A N 2.164 125.103 122.820 0.199 0.000 2.340 698 A HA 0.875 5.195 4.320 -0.001 0.000 0.331 698 A C 0.619 178.205 177.584 0.002 0.000 1.140 698 A CA 0.251 52.287 52.037 -0.002 0.000 0.801 698 A CB 1.294 20.110 19.000 -0.307 0.000 1.234 698 A HN 0.967 nan 8.150 nan 0.000 0.469 699 G N 1.541 110.330 108.800 -0.019 0.000 2.651 699 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.315 699 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.315 699 G C 0.496 175.402 174.900 0.009 0.000 1.258 699 G CA 0.927 46.020 45.100 -0.013 0.000 1.002 699 G HN 0.735 nan 8.290 nan 0.000 0.551 700 D N 1.336 121.738 120.400 0.002 0.000 2.351 700 D HA 0.194 4.834 4.640 -0.001 0.000 0.216 700 D C 2.549 178.853 176.300 0.006 0.000 0.968 700 D CA 1.477 55.472 54.000 -0.007 0.000 0.899 700 D CB -0.623 40.164 40.800 -0.020 0.000 0.907 700 D HN 0.762 nan 8.370 nan 0.000 0.514 701 A N 0.524 123.387 122.820 0.072 0.000 2.121 701 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 701 A C 2.046 179.742 177.584 0.187 0.000 1.154 701 A CA 0.662 52.813 52.037 0.191 0.000 0.679 701 A CB -0.334 18.794 19.000 0.213 0.000 0.795 701 A HN 0.125 nan 8.150 nan 0.000 0.458 702 R N -0.301 120.258 120.500 0.098 0.000 2.293 702 R HA -0.049 4.291 4.340 -0.001 0.000 0.219 702 R C 1.320 177.636 176.300 0.027 0.000 1.091 702 R CA 0.805 56.951 56.100 0.077 0.000 1.004 702 R CB -0.050 30.283 30.300 0.055 0.000 0.865 702 R HN 0.258 nan 8.270 nan 0.000 0.469 703 K N -0.052 120.321 120.400 -0.045 0.000 2.362 703 K HA -0.083 4.237 4.320 -0.001 0.000 0.200 703 K C 1.331 177.829 176.600 -0.169 0.000 1.046 703 K CA 1.006 57.213 56.287 -0.133 0.000 0.952 703 K CB -0.076 32.292 32.500 -0.221 0.000 0.753 703 K HN 0.248 nan 8.250 nan 0.000 0.466 704 F N 1.406 121.334 119.950 -0.037 0.000 2.604 704 F HA -0.056 4.471 4.527 -0.001 0.000 0.298 704 F C 1.957 177.713 175.800 -0.074 0.000 1.131 704 F CA 0.643 58.610 58.000 -0.055 0.000 1.457 704 F CB 0.068 39.035 39.000 -0.055 0.000 1.095 704 F HN -0.027 nan 8.300 nan 0.000 0.574 705 K N 0.259 120.708 120.400 0.082 0.000 2.152 705 K HA -0.198 4.121 4.320 -0.001 0.000 0.206 705 K C 2.314 178.890 176.600 -0.041 0.000 1.048 705 K CA 1.120 57.407 56.287 0.001 0.000 0.933 705 K CB -0.361 32.136 32.500 -0.005 0.000 0.721 705 K HN 0.261 nan 8.250 nan 0.000 0.447 706 A N 1.006 123.807 122.820 -0.031 0.000 1.933 706 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 706 A C 2.138 179.696 177.584 -0.044 0.000 1.175 706 A CA 2.019 54.029 52.037 -0.044 0.000 0.628 706 A CB -0.848 18.124 19.000 -0.047 0.000 0.814 706 A HN 0.301 nan 8.150 nan 0.000 0.444 707 T N 0.780 115.327 114.554 -0.012 0.000 2.821 707 T HA -0.052 4.298 4.350 -0.001 0.000 0.267 707 T C 1.418 176.061 174.700 -0.095 0.000 1.046 707 T CA 1.343 63.436 62.100 -0.012 0.000 1.139 707 T CB -0.533 68.375 68.868 0.066 0.000 0.871 707 T HN 0.725 nan 8.240 nan 0.000 0.454 708 I N -1.166 119.297 120.570 -0.178 0.000 3.864 708 I HA 0.470 4.640 4.170 -0.001 0.000 0.326 708 I C 0.276 176.158 176.117 -0.391 0.000 1.444 708 I CA -0.686 60.373 61.300 -0.402 0.000 1.195 708 I CB -0.499 37.099 38.000 -0.671 0.000 1.124 708 I HN -0.148 nan 8.210 nan 0.000 0.407 709 K N 1.991 122.271 120.400 -0.200 0.000 4.192 709 K HA -0.159 4.161 4.320 -0.001 0.000 0.272 709 K C -0.920 175.607 176.600 -0.123 0.000 0.751 709 K CA 0.646 56.859 56.287 -0.124 0.000 0.611 709 K CB -1.077 31.373 32.500 -0.084 0.000 1.942 709 K HN 0.726 nan 8.250 nan 0.000 0.413 710 I N -0.411 120.079 120.570 -0.134 0.000 2.752 710 I HA 0.488 4.657 4.170 -0.001 0.000 0.290 710 I C -1.314 174.773 176.117 -0.049 0.000 1.507 710 I CA 0.653 61.904 61.300 -0.082 0.000 1.038 710 I CB 1.535 39.486 38.000 -0.083 0.000 1.390 710 I HN 0.483 nan 8.210 nan 0.000 0.435 711 A N 4.892 127.703 122.820 -0.015 0.000 2.459 711 A HA -0.054 4.266 4.320 -0.001 0.000 0.685 711 A C -0.052 177.526 177.584 -0.009 0.000 0.157 711 A CA 0.993 53.028 52.037 -0.003 0.000 0.058 711 A CB -0.736 18.271 19.000 0.011 0.000 3.969 711 A HN 0.911 nan 8.150 nan 0.000 0.548 712 D N -0.129 120.269 120.400 -0.003 0.000 2.348 712 D HA 0.019 4.659 4.640 -0.001 0.000 0.283 712 D C 1.003 177.304 176.300 0.001 0.000 1.096 712 D CA 0.417 54.415 54.000 -0.004 0.000 0.863 712 D CB -0.010 40.787 40.800 -0.006 0.000 1.465 712 D HN 0.608 nan 8.370 nan 0.000 0.515 713 Q N 1.213 121.015 119.800 0.004 0.000 2.319 713 Q HA 0.337 4.677 4.340 -0.001 0.000 0.202 713 Q C 0.940 176.944 176.000 0.008 0.000 0.896 713 Q CA 0.428 56.234 55.803 0.006 0.000 0.942 713 Q CB 1.848 30.589 28.738 0.005 0.000 1.083 713 Q HN 0.344 nan 8.270 nan 0.000 0.510 714 G N 1.741 110.545 108.800 0.008 0.000 2.619 714 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.686 714 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.686 714 G C -1.354 173.552 174.900 0.009 0.000 1.256 714 G CA -0.595 44.510 45.100 0.009 0.000 0.826 714 G HN 0.118 nan 8.290 nan 0.000 0.619 715 E N -0.190 120.016 120.200 0.010 0.000 2.308 715 E HA 0.488 4.838 4.350 -0.001 0.000 0.275 715 E C -0.151 176.445 176.600 -0.006 0.000 0.890 715 E CA -0.711 55.698 56.400 0.015 0.000 0.754 715 E CB 1.413 31.142 29.700 0.048 0.000 1.207 715 E HN 0.576 nan 8.360 nan 0.000 0.426 716 E N 1.334 121.522 120.200 -0.019 0.000 2.465 716 E HA 0.252 4.601 4.350 -0.001 0.000 0.260 716 E C 0.691 177.250 176.600 -0.068 0.000 0.980 716 E CA 1.552 57.925 56.400 -0.045 0.000 0.927 716 E CB 0.598 30.269 29.700 -0.047 0.000 0.934 716 E HN 0.828 nan 8.360 nan 0.000 0.459 717 G N 3.003 111.748 108.800 -0.092 0.000 2.253 717 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.209 717 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.209 717 G C -0.027 174.819 174.900 -0.090 0.000 0.997 717 G CA -0.522 44.503 45.100 -0.124 0.000 0.640 717 G HN 0.402 nan 8.290 nan 0.000 0.496 718 I N 2.290 122.829 120.570 -0.052 0.000 2.382 718 I HA 0.506 4.676 4.170 -0.001 0.000 0.285 718 I C 0.328 176.398 176.117 -0.079 0.000 1.007 718 I CA -1.273 60.003 61.300 -0.039 0.000 1.142 718 I CB 1.261 39.272 38.000 0.018 0.000 1.289 718 I HN -0.083 nan 8.210 nan 0.000 0.453 719 V N 7.479 127.301 119.914 -0.153 0.000 2.432 719 V HA 0.406 4.526 4.120 -0.001 0.000 0.275 719 V C 0.210 176.211 176.094 -0.156 0.000 1.043 719 V CA -0.455 61.697 62.300 -0.247 0.000 0.925 719 V CB 1.151 32.666 31.823 -0.514 0.000 0.985 719 V HN 0.854 nan 8.190 nan 0.000 0.466 720 E N 4.284 124.485 120.200 0.002 0.000 2.356 720 E HA 0.907 5.256 4.350 -0.001 0.000 0.275 720 E C -0.915 175.829 176.600 0.241 0.000 0.904 720 E CA -0.998 55.508 56.400 0.177 0.000 0.757 720 E CB 2.666 32.427 29.700 0.102 0.000 1.232 720 E HN 0.795 nan 8.360 nan 0.000 0.442 721 A N 1.620 124.608 122.820 0.280 0.000 2.540 721 A HA 0.354 4.673 4.320 -0.001 0.000 0.291 721 A C -0.674 176.947 177.584 0.062 0.000 1.083 721 A CA -0.625 51.514 52.037 0.171 0.000 0.650 721 A CB 1.042 20.180 19.000 0.229 0.000 1.292 721 A HN 0.587 nan 8.150 nan 0.000 0.435 722 D N 0.519 120.928 120.400 0.016 0.000 2.219 722 D HA 0.071 4.711 4.640 -0.001 0.000 0.205 722 D C 0.979 177.235 176.300 -0.072 0.000 0.970 722 D CA 2.241 56.230 54.000 -0.019 0.000 0.851 722 D CB 0.085 40.877 40.800 -0.014 0.000 0.943 722 D HN 0.812 nan 8.370 nan 0.000 0.488 723 S N -1.473 114.150 115.700 -0.129 0.000 2.579 723 S HA 0.686 5.156 4.470 -0.001 0.000 0.272 723 S C -0.898 173.432 174.600 -0.450 0.000 1.141 723 S CA -0.968 57.098 58.200 -0.223 0.000 0.843 723 S CB 2.140 65.255 63.200 -0.142 0.000 1.122 723 S HN 0.027 nan 8.310 nan 0.000 0.468 724 A N 2.006 124.461 122.820 -0.608 0.000 2.410 724 A HA 0.586 4.906 4.320 -0.001 0.000 0.292 724 A C -0.039 177.336 177.584 -0.348 0.000 1.232 724 A CA -0.157 51.318 52.037 -0.937 0.000 0.893 724 A CB -1.119 17.457 19.000 -0.706 0.000 1.131 724 A HN 0.906 nan 8.150 nan 0.000 0.530 725 D N 1.330 121.633 120.400 -0.162 0.000 2.712 725 D HA 0.542 5.182 4.640 -0.001 0.000 0.252 725 D C 1.278 177.625 176.300 0.079 0.000 1.123 725 D CA 0.061 54.051 54.000 -0.016 0.000 1.109 725 D CB -0.012 40.784 40.800 -0.008 0.000 1.313 725 D HN 0.189 nan 8.370 nan 0.000 0.629 726 G N -0.638 108.195 108.800 0.055 0.000 2.446 726 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.217 726 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.217 726 G C 1.479 176.427 174.900 0.081 0.000 1.168 726 G CA 1.375 46.511 45.100 0.060 0.000 0.771 726 G HN 0.443 nan 8.290 nan 0.000 0.551 727 S N -0.496 115.256 115.700 0.087 0.000 2.387 727 S HA -0.053 4.417 4.470 -0.001 0.000 0.226 727 S C 2.031 176.709 174.600 0.130 0.000 1.026 727 S CA 1.180 59.431 58.200 0.085 0.000 0.972 727 S CB -0.378 62.863 63.200 0.069 0.000 0.814 727 S HN 0.370 nan 8.310 nan 0.000 0.477 728 F N 2.028 121.976 119.950 -0.002 0.000 2.102 728 F HA -0.038 4.488 4.527 -0.001 0.000 0.298 728 F C 2.007 177.804 175.800 -0.005 0.000 1.105 728 F CA 1.591 59.589 58.000 -0.003 0.000 1.239 728 F CB -0.343 38.656 39.000 -0.001 0.000 0.991 728 F HN 0.188 nan 8.300 nan 0.000 0.474 729 M N 0.221 119.998 119.600 0.296 0.000 2.229 729 M HA -0.149 4.330 4.480 -0.001 0.000 0.264 729 M C 1.749 178.070 176.300 0.034 0.000 1.063 729 M CA 1.216 56.607 55.300 0.152 0.000 1.114 729 M CB -1.351 31.346 32.600 0.162 0.000 1.387 729 M HN 0.135 nan 8.290 nan 0.000 0.420 730 D N 0.474 120.895 120.400 0.035 0.000 2.117 730 D HA -0.132 4.507 4.640 -0.001 0.000 0.197 730 D C 1.992 178.276 176.300 -0.027 0.000 0.987 730 D CA 1.087 55.091 54.000 0.006 0.000 0.829 730 D CB -0.054 40.755 40.800 0.016 0.000 0.961 730 D HN 0.458 nan 8.370 nan 0.000 0.460 731 E N 0.386 120.557 120.200 -0.049 0.000 2.038 731 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 731 E C 2.156 178.679 176.600 -0.129 0.000 1.000 731 E CA 0.298 56.644 56.400 -0.090 0.000 0.803 731 E CB -0.119 29.509 29.700 -0.121 0.000 0.750 731 E HN 0.173 nan 8.360 nan 0.000 0.448 732 L N 1.137 122.250 121.223 -0.183 0.000 2.012 732 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 732 L C 2.240 179.048 176.870 -0.103 0.000 1.073 732 L CA 1.573 56.303 54.840 -0.183 0.000 0.748 732 L CB -0.502 41.424 42.059 -0.223 0.000 0.891 732 L HN 0.225 nan 8.230 nan 0.000 0.431 733 L N -0.621 120.562 121.223 -0.065 0.000 2.141 733 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 733 L C 2.438 179.286 176.870 -0.036 0.000 1.094 733 L CA 1.413 56.230 54.840 -0.039 0.000 0.763 733 L CB -0.640 41.408 42.059 -0.020 0.000 0.908 733 L HN 0.256 nan 8.230 nan 0.000 0.437 734 T N 0.018 114.547 114.554 -0.042 0.000 2.777 734 T HA -0.122 4.228 4.350 -0.001 0.000 0.266 734 T C 1.957 176.629 174.700 -0.047 0.000 1.040 734 T CA 1.079 63.158 62.100 -0.033 0.000 1.141 734 T CB -0.175 68.674 68.868 -0.032 0.000 0.868 734 T HN 0.181 nan 8.240 nan 0.000 0.444 735 L N 0.353 121.530 121.223 -0.077 0.000 2.017 735 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 735 L C 2.733 179.542 176.870 -0.102 0.000 1.073 735 L CA 1.375 56.150 54.840 -0.109 0.000 0.745 735 L CB -0.553 41.421 42.059 -0.142 0.000 0.894 735 L HN 0.299 nan 8.230 nan 0.000 0.432 736 M N -0.717 118.838 119.600 -0.076 0.000 2.149 736 M HA -0.198 4.282 4.480 -0.001 0.000 0.261 736 M C 2.414 178.717 176.300 0.004 0.000 1.064 736 M CA 1.794 57.067 55.300 -0.044 0.000 1.102 736 M CB -0.493 32.089 32.600 -0.029 0.000 1.369 736 M HN 0.330 nan 8.290 nan 0.000 0.408 737 A N 0.068 122.892 122.820 0.007 0.000 2.067 737 A HA 0.067 4.387 4.320 -0.001 0.000 0.219 737 A C 2.097 179.723 177.584 0.070 0.000 1.158 737 A CA 1.610 53.670 52.037 0.039 0.000 0.661 737 A CB -0.604 18.413 19.000 0.028 0.000 0.801 737 A HN 0.507 nan 8.150 nan 0.000 0.452 738 A N -2.576 120.265 122.820 0.036 0.000 2.307 738 A HA 0.364 4.684 4.320 -0.001 0.000 0.218 738 A C 0.931 178.551 177.584 0.060 0.000 1.228 738 A CA 1.167 53.238 52.037 0.057 0.000 0.857 738 A CB -0.464 18.529 19.000 -0.012 0.000 0.897 738 A HN 0.891 nan 8.150 nan 0.000 0.495 739 H N -1.126 117.895 119.070 -0.081 0.000 4.891 739 H HA -0.195 4.361 4.556 -0.001 0.000 0.059 739 H C 0.080 175.198 175.328 -0.351 0.000 0.587 739 H CA 2.437 58.415 56.048 -0.116 0.000 0.970 739 H CB -0.549 29.250 29.762 0.062 0.000 0.535 739 H HN 0.461 nan 8.280 nan 0.000 0.802 740 R N -0.362 119.596 120.500 -0.903 0.000 2.836 740 R HA 0.615 4.954 4.340 -0.001 0.000 0.269 740 R C -0.666 174.809 176.300 -1.375 0.000 1.010 740 R CA -0.311 55.009 56.100 -1.300 0.000 0.930 740 R CB 1.683 30.899 30.300 -1.807 0.000 1.218 740 R HN 0.081 nan 8.270 nan 0.000 0.473 741 V N 2.379 121.699 119.914 -0.990 0.000 2.221 741 V HA 0.111 4.230 4.120 -0.001 0.000 0.258 741 V C 0.609 176.344 176.094 -0.598 0.000 1.179 741 V CA -0.397 61.499 62.300 -0.674 0.000 1.022 741 V CB -0.237 31.323 31.823 -0.439 0.000 1.228 741 V HN 0.710 nan 8.190 nan 0.000 0.487 742 W N 1.588 122.622 121.300 -0.443 0.000 2.425 742 W HA -0.151 4.509 4.660 -0.001 0.000 0.277 742 W C 2.484 178.798 176.519 -0.341 0.000 1.231 742 W CA 0.789 57.789 57.345 -0.574 0.000 1.248 742 W CB -0.364 28.391 29.460 -1.174 0.000 1.117 742 W HN 0.648 nan 8.180 nan 0.000 0.568 743 S N 0.671 116.326 115.700 -0.075 0.000 2.507 743 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 743 S C 1.686 176.249 174.600 -0.062 0.000 0.988 743 S CA 0.803 58.977 58.200 -0.044 0.000 0.944 743 S CB -0.389 62.787 63.200 -0.040 0.000 0.762 743 S HN 0.407 nan 8.310 nan 0.000 0.526 744 R N 0.670 121.093 120.500 -0.127 0.000 2.299 744 R HA 0.272 4.612 4.340 -0.001 0.000 0.197 744 R C 1.703 177.939 176.300 -0.107 0.000 0.971 744 R CA 0.239 56.243 56.100 -0.159 0.000 1.030 744 R CB -0.358 29.734 30.300 -0.346 0.000 0.932 744 R HN 0.467 nan 8.270 nan 0.000 0.477 745 I N 1.879 122.425 120.570 -0.040 0.000 2.151 745 I HA -0.245 3.925 4.170 -0.001 0.000 0.243 745 I C -0.783 175.361 176.117 0.046 0.000 1.080 745 I CA 1.423 62.743 61.300 0.034 0.000 1.339 745 I CB -0.983 37.080 38.000 0.105 0.000 1.039 745 I HN 0.166 nan 8.210 nan 0.000 0.409 746 P HA -0.170 nan 4.420 nan 0.000 0.218 746 P C 1.224 178.555 177.300 0.052 0.000 1.148 746 P CA 1.540 64.670 63.100 0.050 0.000 0.822 746 P CB -0.058 31.668 31.700 0.043 0.000 0.784 747 K N -0.566 119.862 120.400 0.047 0.000 2.418 747 K HA 0.073 4.392 4.320 -0.001 0.000 0.195 747 K C 1.936 178.602 176.600 0.112 0.000 1.035 747 K CA 0.489 56.826 56.287 0.083 0.000 1.003 747 K CB -0.341 32.230 32.500 0.119 0.000 0.793 747 K HN 0.289 nan 8.250 nan 0.000 0.494 748 I N -2.254 118.356 120.570 0.067 0.000 3.030 748 I HA -0.005 4.165 4.170 -0.001 0.000 0.270 748 I C 0.742 176.906 176.117 0.079 0.000 1.211 748 I CA 0.932 62.278 61.300 0.076 0.000 1.479 748 I CB 0.132 38.134 38.000 0.003 0.000 1.105 748 I HN -0.103 nan 8.210 nan 0.000 0.447 749 D N 1.932 122.378 120.400 0.078 0.000 2.363 749 D HA -0.070 4.569 4.640 -0.001 0.000 0.226 749 D C 1.757 178.098 176.300 0.068 0.000 1.020 749 D CA 0.432 54.479 54.000 0.077 0.000 0.892 749 D CB 0.150 41.000 40.800 0.084 0.000 0.900 749 D HN 0.457 nan 8.370 nan 0.000 0.531 750 K N 1.180 121.620 120.400 0.067 0.000 2.242 750 K HA -0.020 4.299 4.320 -0.001 0.000 0.200 750 K C 0.808 177.439 176.600 0.052 0.000 1.050 750 K CA -0.059 56.261 56.287 0.055 0.000 0.981 750 K CB 0.293 32.823 32.500 0.049 0.000 0.795 750 K HN 0.106 nan 8.250 nan 0.000 0.477 751 I N 2.090 122.697 120.570 0.063 0.000 2.683 751 I HA 0.106 4.276 4.170 -0.001 0.000 0.286 751 I C -2.337 173.809 176.117 0.049 0.000 1.175 751 I CA -1.849 59.481 61.300 0.050 0.000 1.429 751 I CB -0.119 37.921 38.000 0.066 0.000 1.371 751 I HN -0.075 nan 8.210 nan 0.000 0.569 752 P HA 0.489 nan 4.420 nan 0.000 0.238 752 P C -0.689 176.668 177.300 0.096 0.000 1.794 752 P CA 0.008 63.144 63.100 0.059 0.000 1.088 752 P CB 0.202 31.930 31.700 0.048 0.000 1.923 753 A N 0.000 122.878 122.820 0.096 0.000 2.254 753 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 753 A CA 0.000 52.139 52.037 0.170 0.000 0.836 753 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486