REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1cf9_1_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 STCQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.283 176.300 -0.028 0.000 2.045 27 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 28 S N 0.325 116.005 115.700 -0.034 0.000 2.608 28 S HA 0.668 5.189 4.470 0.084 0.000 0.291 28 S C -0.043 174.521 174.600 -0.059 0.000 1.146 28 S CA -0.480 57.696 58.200 -0.041 0.000 1.043 28 S CB 1.693 64.872 63.200 -0.034 0.000 1.037 28 S HN 0.207 nan 8.310 nan 0.000 0.520 29 L N 2.348 123.537 121.223 -0.057 0.000 2.589 29 L HA 0.432 4.822 4.340 0.084 0.000 0.244 29 L C 0.361 177.168 176.870 -0.106 0.000 1.159 29 L CA -0.351 54.445 54.840 -0.073 0.000 1.074 29 L CB 0.041 42.066 42.059 -0.056 0.000 1.391 29 L HN 0.724 nan 8.230 nan 0.000 0.423 30 A N 3.021 125.733 122.820 -0.181 0.000 2.388 30 A HA 0.622 4.993 4.320 0.084 0.000 0.257 30 A C -2.176 175.267 177.584 -0.235 0.000 1.095 30 A CA -1.059 50.767 52.037 -0.350 0.000 0.791 30 A CB -0.133 18.429 19.000 -0.731 0.000 1.029 30 A HN 0.259 nan 8.150 nan 0.000 0.489 31 P HA 0.123 nan 4.420 nan 0.000 0.272 31 P C 0.182 177.455 177.300 -0.046 0.000 1.230 31 P CA -0.070 62.991 63.100 -0.064 0.000 0.788 31 P CB 0.843 32.541 31.700 -0.003 0.000 0.949 32 E N 1.154 121.343 120.200 -0.018 0.000 2.268 32 E HA -0.181 4.219 4.350 0.084 0.000 0.195 32 E C 1.169 177.784 176.600 0.025 0.000 0.995 32 E CA 1.384 57.783 56.400 -0.002 0.000 0.836 32 E CB -0.509 29.189 29.700 -0.003 0.000 0.763 32 E HN 0.453 nan 8.360 nan 0.000 0.491 33 D N -1.276 119.146 120.400 0.037 0.000 2.355 33 D HA 0.011 4.702 4.640 0.084 0.000 0.218 33 D C 1.130 177.478 176.300 0.080 0.000 1.004 33 D CA 0.809 54.838 54.000 0.048 0.000 0.880 33 D CB -0.333 40.489 40.800 0.038 0.000 0.911 33 D HN 0.227 nan 8.370 nan 0.000 0.528 34 G N 0.988 109.874 108.800 0.144 0.000 2.198 34 G HA2 -0.342 3.668 3.960 0.084 0.000 0.260 34 G HA3 -0.342 3.668 3.960 0.084 0.000 0.260 34 G C 0.920 175.924 174.900 0.173 0.000 1.025 34 G CA 0.823 46.068 45.100 0.242 0.000 0.769 34 G HN 0.563 nan 8.290 nan 0.000 0.507 35 S N -0.647 115.163 115.700 0.183 0.000 2.561 35 S HA 0.028 4.549 4.470 0.084 0.000 0.225 35 S C 1.716 176.372 174.600 0.094 0.000 0.977 35 S CA 1.214 59.471 58.200 0.095 0.000 0.926 35 S CB -0.484 62.761 63.200 0.074 0.000 0.769 35 S HN 1.039 nan 8.310 nan 0.000 0.533 36 H N 0.764 119.841 119.070 0.011 0.000 2.428 36 H HA 0.255 4.862 4.556 0.084 0.000 0.296 36 H C 1.246 176.586 175.328 0.019 0.000 1.062 36 H CA 0.380 56.435 56.048 0.013 0.000 1.350 36 H CB -0.072 29.697 29.762 0.011 0.000 1.403 36 H HN 0.241 nan 8.280 nan 0.000 0.533 37 R N 2.258 122.374 120.500 -0.640 0.000 2.294 37 R HA 0.288 4.679 4.340 0.084 0.000 0.319 37 R C -2.605 173.588 176.300 -0.179 0.000 0.984 37 R CA -2.398 53.444 56.100 -0.431 0.000 0.861 37 R CB 0.794 30.731 30.300 -0.606 0.000 1.104 37 R HN 0.192 nan 8.270 nan 0.000 0.451 38 P HA 0.109 nan 4.420 nan 0.000 0.275 38 P C -1.064 176.225 177.300 -0.019 0.000 1.227 38 P CA -0.367 62.717 63.100 -0.027 0.000 0.781 38 P CB 1.142 32.851 31.700 0.014 0.000 0.906 39 A N 2.665 125.482 122.820 -0.005 0.000 2.511 39 A HA 0.390 4.760 4.320 0.084 0.000 0.242 39 A C 0.895 178.489 177.584 0.017 0.000 1.069 39 A CA 0.074 52.113 52.037 0.003 0.000 0.763 39 A CB -0.419 18.586 19.000 0.007 0.000 1.001 39 A HN 0.570 nan 8.150 nan 0.000 0.498 40 A N 3.435 126.265 122.820 0.017 0.000 3.118 40 A HA 0.507 4.877 4.320 0.084 0.000 0.256 40 A C 0.125 177.727 177.584 0.030 0.000 1.667 40 A CA -0.180 51.873 52.037 0.026 0.000 1.338 40 A CB -0.464 18.549 19.000 0.021 0.000 1.127 40 A HN 0.747 nan 8.150 nan 0.000 0.634 41 E N 0.124 120.345 120.200 0.035 0.000 2.390 41 E HA 0.299 4.700 4.350 0.084 0.000 0.280 41 E C -3.207 173.418 176.600 0.042 0.000 0.992 41 E CA -2.050 54.372 56.400 0.037 0.000 0.790 41 E CB 0.899 30.616 29.700 0.029 0.000 1.248 41 E HN 0.051 nan 8.360 nan 0.000 0.447 42 P HA 0.062 nan 4.420 nan 0.000 0.263 42 P C -0.615 176.701 177.300 0.027 0.000 1.195 42 P CA 0.331 63.453 63.100 0.037 0.000 0.762 42 P CB 0.223 31.936 31.700 0.021 0.000 0.799 43 T N 1.280 115.847 114.554 0.022 0.000 2.909 43 T HA 0.607 5.008 4.350 0.084 0.000 0.299 43 T C -2.952 171.732 174.700 -0.027 0.000 1.073 43 T CA -2.651 59.456 62.100 0.012 0.000 0.999 43 T CB 1.649 70.526 68.868 0.016 0.000 1.098 43 T HN 0.071 nan 8.240 nan 0.000 0.477 44 P HA 0.342 nan 4.420 nan 0.000 0.272 44 P C -2.754 174.422 177.300 -0.207 0.000 1.230 44 P CA -1.592 61.376 63.100 -0.220 0.000 0.788 44 P CB -0.927 30.727 31.700 -0.078 0.000 0.949 45 P HA 0.040 nan 4.420 nan 0.000 0.264 45 P C 1.068 178.326 177.300 -0.071 0.000 1.183 45 P CA 1.469 64.478 63.100 -0.152 0.000 0.763 45 P CB -0.236 31.364 31.700 -0.166 0.000 0.807 46 G N 2.569 111.356 108.800 -0.022 0.000 2.179 46 G HA2 -0.335 3.675 3.960 0.084 0.000 0.260 46 G HA3 -0.335 3.675 3.960 0.084 0.000 0.260 46 G C 1.082 175.982 174.900 0.000 0.000 0.977 46 G CA 0.403 45.501 45.100 -0.002 0.000 0.641 46 G HN 0.682 nan 8.290 nan 0.000 0.533 47 A N -1.480 121.337 122.820 -0.005 0.000 1.975 47 A HA 0.480 4.850 4.320 0.084 0.000 0.215 47 A C 1.292 178.881 177.584 0.009 0.000 1.170 47 A CA 1.844 53.882 52.037 0.003 0.000 0.656 47 A CB 0.081 19.081 19.000 0.001 0.000 0.821 47 A HN 0.456 nan 8.150 nan 0.000 0.449 48 Q N -1.010 118.798 119.800 0.014 0.000 2.416 48 Q HA 0.437 4.828 4.340 0.084 0.000 0.281 48 Q C -2.999 173.016 176.000 0.025 0.000 1.067 48 Q CA -2.040 53.774 55.803 0.018 0.000 0.809 48 Q CB 1.284 30.035 28.738 0.023 0.000 1.418 48 Q HN 0.054 nan 8.270 nan 0.000 0.411 49 P HA 0.067 nan 4.420 nan 0.000 0.269 49 P C -0.260 177.070 177.300 0.050 0.000 1.209 49 P CA 0.038 63.151 63.100 0.022 0.000 0.776 49 P CB 0.288 31.997 31.700 0.015 0.000 0.876 50 T N -0.574 114.011 114.554 0.051 0.000 2.828 50 T HA 0.639 5.040 4.350 0.084 0.000 0.290 50 T C 0.017 174.801 174.700 0.139 0.000 1.019 50 T CA -0.458 61.723 62.100 0.135 0.000 1.031 50 T CB 0.782 69.678 68.868 0.047 0.000 1.001 50 T HN 0.584 nan 8.240 nan 0.000 0.531 51 A N 1.229 124.225 122.820 0.293 0.000 2.588 51 A HA 0.788 5.159 4.320 0.084 0.000 0.290 51 A C -3.063 174.784 177.584 0.438 0.000 1.136 51 A CA -1.910 50.279 52.037 0.253 0.000 0.681 51 A CB 0.316 19.415 19.000 0.166 0.000 1.282 51 A HN 0.648 nan 8.150 nan 0.000 0.421 52 P HA 0.144 nan 4.420 nan 0.000 0.265 52 P C 1.191 178.638 177.300 0.245 0.000 1.187 52 P CA 0.965 64.277 63.100 0.353 0.000 0.766 52 P CB 0.538 32.366 31.700 0.213 0.000 0.820 53 G N 2.279 111.180 108.800 0.168 0.000 2.469 53 G HA2 -0.300 3.710 3.960 0.084 0.000 0.219 53 G HA3 -0.300 3.710 3.960 0.084 0.000 0.219 53 G C 1.550 176.462 174.900 0.020 0.000 1.150 53 G CA 1.168 46.278 45.100 0.017 0.000 0.763 53 G HN 0.590 nan 8.290 nan 0.000 0.561 54 S N -0.004 115.714 115.700 0.030 0.000 2.481 54 S HA 0.139 4.660 4.470 0.084 0.000 0.231 54 S C 2.196 176.813 174.600 0.028 0.000 0.996 54 S CA 0.796 59.002 58.200 0.009 0.000 0.942 54 S CB -0.164 63.037 63.200 0.001 0.000 0.768 54 S HN 0.322 nan 8.310 nan 0.000 0.520 55 L N -0.189 121.067 121.223 0.055 0.000 2.298 55 L HA 0.272 4.662 4.340 0.084 0.000 0.209 55 L C 2.649 179.552 176.870 0.055 0.000 1.084 55 L CA 0.729 55.602 54.840 0.055 0.000 0.816 55 L CB -0.336 41.764 42.059 0.070 0.000 0.967 55 L HN 0.246 nan 8.230 nan 0.000 0.460 56 K N 1.613 122.055 120.400 0.070 0.000 2.062 56 K HA 0.027 4.398 4.320 0.084 0.000 0.205 56 K C 0.732 177.361 176.600 0.049 0.000 1.051 56 K CA 1.333 57.662 56.287 0.070 0.000 0.941 56 K CB 0.085 32.639 32.500 0.090 0.000 0.719 56 K HN 0.142 nan 8.250 nan 0.000 0.440 57 A N 0.921 123.761 122.820 0.034 0.000 3.159 57 A HA 0.358 4.729 4.320 0.084 0.000 0.330 57 A C -2.201 175.386 177.584 0.006 0.000 1.032 57 A CA -1.086 50.967 52.037 0.027 0.000 0.841 57 A CB 0.698 19.714 19.000 0.027 0.000 1.093 57 A HN 0.167 nan 8.150 nan 0.000 0.478 58 P HA -0.105 nan 4.420 nan 0.000 0.220 58 P C 0.101 177.394 177.300 -0.011 0.000 1.148 58 P CA 1.217 64.316 63.100 -0.002 0.000 0.803 58 P CB 0.342 32.045 31.700 0.006 0.000 0.782 59 D N -1.017 119.381 120.400 -0.004 0.000 2.349 59 D HA 0.008 4.699 4.640 0.084 0.000 0.215 59 D C 0.272 176.559 176.300 -0.020 0.000 1.016 59 D CA 0.659 54.654 54.000 -0.009 0.000 0.870 59 D CB -0.541 40.262 40.800 0.004 0.000 0.917 59 D HN 0.108 nan 8.370 nan 0.000 0.524 60 T N 1.439 115.978 114.554 -0.026 0.000 2.749 60 T HA 0.432 4.832 4.350 0.084 0.000 0.295 60 T C 0.439 175.093 174.700 -0.076 0.000 0.936 60 T CA -0.253 61.817 62.100 -0.050 0.000 1.060 60 T CB 1.312 70.145 68.868 -0.059 0.000 0.904 60 T HN -0.084 nan 8.240 nan 0.000 0.500 61 R N 2.351 122.800 120.500 -0.086 0.000 2.855 61 R HA 0.661 5.052 4.340 0.084 0.000 0.266 61 R C -0.830 175.410 176.300 -0.101 0.000 1.034 61 R CA -0.998 55.045 56.100 -0.095 0.000 0.944 61 R CB 1.721 31.973 30.300 -0.080 0.000 1.219 61 R HN 0.814 nan 8.270 nan 0.000 0.474 62 N N -1.774 116.869 118.700 -0.096 0.000 3.046 62 N HA -0.020 4.771 4.740 0.084 0.000 0.243 62 N C -0.156 175.309 175.510 -0.076 0.000 1.452 62 N CA -0.832 52.174 53.050 -0.073 0.000 0.882 62 N CB 0.777 39.249 38.487 -0.025 0.000 1.425 62 N HN 0.617 nan 8.380 nan 0.000 0.517 63 E N -0.269 119.901 120.200 -0.050 0.000 2.110 63 E HA -0.232 4.168 4.350 0.084 0.000 0.193 63 E C 1.003 177.535 176.600 -0.113 0.000 0.988 63 E CA 1.321 57.686 56.400 -0.058 0.000 0.804 63 E CB 0.111 29.800 29.700 -0.018 0.000 0.745 63 E HN 0.466 nan 8.360 nan 0.000 0.458 64 K N 0.702 121.001 120.400 -0.168 0.000 2.031 64 K HA -0.058 4.312 4.320 0.084 0.000 0.205 64 K C 2.056 178.499 176.600 -0.261 0.000 1.049 64 K CA 1.097 57.196 56.287 -0.312 0.000 0.939 64 K CB -0.450 31.710 32.500 -0.567 0.000 0.717 64 K HN 0.176 nan 8.250 nan 0.000 0.438 65 L N 0.912 121.992 121.223 -0.239 0.000 2.042 65 L HA -0.247 4.143 4.340 0.084 0.000 0.210 65 L C 1.865 178.623 176.870 -0.187 0.000 1.076 65 L CA 1.409 56.081 54.840 -0.280 0.000 0.749 65 L CB -0.608 41.284 42.059 -0.278 0.000 0.893 65 L HN 0.270 nan 8.230 nan 0.000 0.432 66 N N -0.294 118.323 118.700 -0.139 0.000 2.120 66 N HA -0.167 4.624 4.740 0.084 0.000 0.188 66 N C 2.046 177.499 175.510 -0.096 0.000 1.024 66 N CA 1.705 54.694 53.050 -0.101 0.000 0.852 66 N CB -0.517 37.924 38.487 -0.078 0.000 1.003 66 N HN 0.368 nan 8.380 nan 0.000 0.424 67 S N 0.517 116.151 115.700 -0.111 0.000 2.442 67 S HA 0.003 4.523 4.470 0.084 0.000 0.236 67 S C 1.794 176.336 174.600 -0.098 0.000 1.007 67 S CA 0.460 58.602 58.200 -0.097 0.000 0.965 67 S CB -0.493 62.642 63.200 -0.108 0.000 0.773 67 S HN 0.261 nan 8.310 nan 0.000 0.504 68 L N 0.727 121.878 121.223 -0.120 0.000 2.610 68 L HA 0.179 4.570 4.340 0.084 0.000 0.232 68 L C 2.621 179.448 176.870 -0.073 0.000 1.149 68 L CA 0.521 55.299 54.840 -0.103 0.000 0.872 68 L CB -0.383 41.600 42.059 -0.127 0.000 0.992 68 L HN 0.269 nan 8.230 nan 0.000 0.447 69 E N 1.052 121.212 120.200 -0.067 0.000 2.160 69 E HA -0.247 4.153 4.350 0.084 0.000 0.195 69 E C 1.674 178.255 176.600 -0.032 0.000 0.991 69 E CA 1.467 57.839 56.400 -0.046 0.000 0.810 69 E CB -0.065 29.609 29.700 -0.042 0.000 0.742 69 E HN 0.579 nan 8.360 nan 0.000 0.466 70 D N -0.528 119.852 120.400 -0.034 0.000 2.218 70 D HA -0.149 4.541 4.640 0.084 0.000 0.204 70 D C 1.672 177.960 176.300 -0.021 0.000 0.976 70 D CA 1.591 55.576 54.000 -0.025 0.000 0.853 70 D CB -0.452 40.333 40.800 -0.025 0.000 0.939 70 D HN 0.308 nan 8.370 nan 0.000 0.481 71 V N -3.236 116.665 119.914 -0.023 0.000 3.578 71 V HA 0.299 4.470 4.120 0.084 0.000 0.290 71 V C 0.759 176.849 176.094 -0.007 0.000 1.376 71 V CA -0.695 61.597 62.300 -0.013 0.000 1.083 71 V CB -0.510 31.307 31.823 -0.011 0.000 0.911 71 V HN -0.145 nan 8.190 nan 0.000 0.433 72 R N 2.046 122.540 120.500 -0.010 0.000 2.537 72 R HA 0.429 4.820 4.340 0.084 0.000 0.280 72 R C -0.267 176.034 176.300 0.003 0.000 1.058 72 R CA 0.008 56.109 56.100 0.003 0.000 1.057 72 R CB 0.635 30.937 30.300 0.004 0.000 0.973 72 R HN 0.367 nan 8.270 nan 0.000 0.438 73 K N 1.215 121.622 120.400 0.010 0.000 2.413 73 K HA 0.313 4.684 4.320 0.084 0.000 0.257 73 K C -0.067 176.547 176.600 0.023 0.000 0.946 73 K CA -0.398 55.885 56.287 -0.008 0.000 0.823 73 K CB 1.694 34.180 32.500 -0.023 0.000 1.109 73 K HN 0.696 nan 8.250 nan 0.000 0.427 74 G N 0.851 109.678 108.800 0.045 0.000 2.504 74 G HA2 0.268 4.278 3.960 0.084 0.000 0.257 74 G HA3 0.268 4.278 3.960 0.084 0.000 0.257 74 G C 0.223 175.220 174.900 0.161 0.000 1.451 74 G CA 0.198 45.376 45.100 0.131 0.000 1.059 74 G HN 0.770 nan 8.290 nan 0.000 0.550 75 S N -2.666 113.209 115.700 0.291 0.000 2.501 75 S HA 0.125 4.645 4.470 0.084 0.000 0.250 75 S C 0.264 175.039 174.600 0.292 0.000 0.959 75 S CA -0.178 58.197 58.200 0.291 0.000 1.250 75 S CB 0.122 63.408 63.200 0.144 0.000 0.933 75 S HN 0.493 nan 8.310 nan 0.000 0.420 76 E N 2.707 122.995 120.200 0.147 0.000 2.414 76 E HA 0.313 4.714 4.350 0.084 0.000 0.263 76 E C -0.195 176.297 176.600 -0.180 0.000 1.000 76 E CA 0.213 56.621 56.400 0.014 0.000 0.914 76 E CB 0.127 29.831 29.700 0.007 0.000 0.948 76 E HN 0.361 nan 8.360 nan 0.000 0.444 77 N N 0.785 119.393 118.700 -0.152 0.000 2.909 77 N HA -0.212 4.579 4.740 0.084 0.000 0.242 77 N C -1.166 174.179 175.510 -0.275 0.000 0.975 77 N CA 1.077 53.990 53.050 -0.228 0.000 0.921 77 N CB -1.222 37.087 38.487 -0.298 0.000 1.112 77 N HN 0.367 nan 8.380 nan 0.000 0.581 78 Y N 0.657 120.963 120.300 0.009 0.000 2.419 78 Y HA 0.657 5.258 4.550 0.085 0.000 0.328 78 Y C 0.965 176.867 175.900 0.004 0.000 1.162 78 Y CA -0.477 57.627 58.100 0.007 0.000 1.174 78 Y CB 0.986 39.450 38.460 0.008 0.000 1.228 78 Y HN 0.108 nan 8.280 nan 0.000 0.473 79 A N 2.217 125.157 122.820 0.200 0.000 2.351 79 A HA 0.453 4.824 4.320 0.084 0.000 0.257 79 A C -0.834 176.800 177.584 0.083 0.000 1.087 79 A CA -0.527 51.571 52.037 0.103 0.000 0.798 79 A CB 0.200 19.247 19.000 0.077 0.000 1.033 79 A HN 0.704 nan 8.150 nan 0.000 0.488 80 L N 2.118 123.370 121.223 0.048 0.000 2.367 80 L HA 0.560 4.950 4.340 0.084 0.000 0.275 80 L C 0.612 177.491 176.870 0.014 0.000 1.129 80 L CA 1.180 56.034 54.840 0.024 0.000 0.839 80 L CB 0.682 42.746 42.059 0.008 0.000 1.133 80 L HN 0.968 nan 8.230 nan 0.000 0.453 81 T N 0.116 114.671 114.554 0.002 0.000 2.812 81 T HA 0.643 5.043 4.350 0.084 0.000 0.294 81 T C 0.095 174.794 174.700 -0.003 0.000 1.159 81 T CA -0.196 61.908 62.100 0.006 0.000 1.008 81 T CB 0.984 69.858 68.868 0.009 0.000 1.289 81 T HN 0.790 nan 8.240 nan 0.000 0.514 82 T N 0.063 114.629 114.554 0.020 0.000 2.732 82 T HA 0.282 4.682 4.350 0.084 0.000 0.287 82 T C 1.046 175.756 174.700 0.018 0.000 0.993 82 T CA -0.564 61.552 62.100 0.028 0.000 0.966 82 T CB -0.022 68.904 68.868 0.097 0.000 1.047 82 T HN 0.568 nan 8.240 nan 0.000 0.527 83 N N 0.413 119.125 118.700 0.020 0.000 2.453 83 N HA -0.063 4.728 4.740 0.084 0.000 0.183 83 N C 1.538 177.061 175.510 0.021 0.000 1.041 83 N CA 0.543 53.598 53.050 0.008 0.000 0.900 83 N CB -0.159 38.338 38.487 0.017 0.000 0.961 83 N HN 0.548 nan 8.380 nan 0.000 0.443 84 Q N -0.387 119.438 119.800 0.042 0.000 2.403 84 Q HA 0.174 4.564 4.340 0.084 0.000 0.203 84 Q C 0.810 176.828 176.000 0.030 0.000 0.932 84 Q CA 0.170 55.995 55.803 0.037 0.000 0.945 84 Q CB 0.339 29.106 28.738 0.048 0.000 1.045 84 Q HN 0.409 nan 8.270 nan 0.000 0.511 85 G N 0.385 109.201 108.800 0.027 0.000 2.141 85 G HA2 -0.236 3.774 3.960 0.084 0.000 0.242 85 G HA3 -0.236 3.774 3.960 0.084 0.000 0.242 85 G C 0.083 175.006 174.900 0.038 0.000 0.982 85 G CA 0.137 45.248 45.100 0.020 0.000 0.662 85 G HN 0.224 nan 8.290 nan 0.000 0.527 86 V N 1.685 121.639 119.914 0.065 0.000 2.461 86 V HA 0.375 4.546 4.120 0.084 0.000 0.275 86 V C 1.282 177.416 176.094 0.065 0.000 1.047 86 V CA -0.609 61.742 62.300 0.085 0.000 0.955 86 V CB 1.101 33.023 31.823 0.166 0.000 0.988 86 V HN 0.406 nan 8.190 nan 0.000 0.471 87 R N 4.301 124.832 120.500 0.051 0.000 2.537 87 R HA 0.362 4.753 4.340 0.084 0.000 0.280 87 R C -0.514 175.801 176.300 0.024 0.000 1.058 87 R CA -0.053 56.068 56.100 0.035 0.000 1.057 87 R CB 0.514 30.834 30.300 0.034 0.000 0.973 87 R HN 0.574 nan 8.270 nan 0.000 0.438 88 I N 1.791 122.363 120.570 0.003 0.000 2.385 88 I HA 0.137 4.357 4.170 0.084 0.000 0.294 88 I C 0.917 177.024 176.117 -0.017 0.000 0.988 88 I CA 0.051 61.336 61.300 -0.024 0.000 1.265 88 I CB 1.906 39.880 38.000 -0.044 0.000 1.388 88 I HN 0.767 nan 8.210 nan 0.000 0.480 89 A N 3.735 126.541 122.820 -0.022 0.000 1.924 89 A HA 0.055 4.425 4.320 0.084 0.000 0.211 89 A C 0.565 178.135 177.584 -0.023 0.000 1.198 89 A CA 0.771 52.799 52.037 -0.015 0.000 0.657 89 A CB 0.095 19.089 19.000 -0.009 0.000 0.852 89 A HN 0.673 nan 8.150 nan 0.000 0.454 90 D N -0.489 119.889 120.400 -0.037 0.000 2.421 90 D HA 0.341 5.031 4.640 0.084 0.000 0.254 90 D C -1.326 174.943 176.300 -0.053 0.000 1.238 90 D CA -0.341 53.635 54.000 -0.039 0.000 0.919 90 D CB 1.205 41.982 40.800 -0.037 0.000 1.152 90 D HN 0.061 nan 8.370 nan 0.000 0.552 91 D N 2.044 122.415 120.400 -0.047 0.000 2.395 91 D HA 0.061 4.752 4.640 0.084 0.000 0.226 91 D C 0.553 176.821 176.300 -0.053 0.000 1.146 91 D CA 0.259 54.226 54.000 -0.055 0.000 0.830 91 D CB 0.492 41.264 40.800 -0.046 0.000 0.958 91 D HN 0.243 nan 8.370 nan 0.000 0.501 92 Q N -0.672 119.099 119.800 -0.048 0.000 2.246 92 Q HA 0.263 4.653 4.340 0.084 0.000 0.222 92 Q C -0.184 175.788 176.000 -0.047 0.000 0.851 92 Q CA 0.119 55.895 55.803 -0.045 0.000 0.945 92 Q CB 0.894 29.610 28.738 -0.036 0.000 1.122 92 Q HN 0.180 nan 8.270 nan 0.000 0.508 93 N N 0.243 118.913 118.700 -0.050 0.000 2.277 93 N HA 0.295 5.085 4.740 0.084 0.000 0.286 93 N C -0.983 174.495 175.510 -0.052 0.000 1.140 93 N CA -0.211 52.812 53.050 -0.046 0.000 0.799 93 N CB 2.174 40.639 38.487 -0.037 0.000 1.596 93 N HN -0.161 nan 8.380 nan 0.000 0.473 94 S N 0.734 116.407 115.700 -0.046 0.000 2.614 94 S HA 0.264 4.785 4.470 0.084 0.000 0.265 94 S C 0.205 174.783 174.600 -0.038 0.000 1.303 94 S CA -0.544 57.629 58.200 -0.046 0.000 1.000 94 S CB 0.684 63.864 63.200 -0.034 0.000 0.935 94 S HN 0.395 nan 8.310 nan 0.000 0.551 95 L N 3.200 124.401 121.223 -0.036 0.000 2.313 95 L HA 0.382 4.772 4.340 0.084 0.000 0.282 95 L C 0.147 177.012 176.870 -0.009 0.000 1.092 95 L CA 0.386 55.214 54.840 -0.021 0.000 0.831 95 L CB -0.156 41.893 42.059 -0.016 0.000 1.159 95 L HN 0.697 nan 8.230 nan 0.000 0.442 96 R N 4.267 124.763 120.500 -0.006 0.000 2.808 96 R HA 0.861 5.251 4.340 0.084 0.000 0.272 96 R C -1.125 175.176 176.300 0.001 0.000 0.995 96 R CA -0.890 55.209 56.100 -0.002 0.000 0.917 96 R CB 1.164 31.460 30.300 -0.006 0.000 1.217 96 R HN 0.575 nan 8.270 nan 0.000 0.471 97 A N 1.297 124.119 122.820 0.003 0.000 2.527 97 A HA 0.575 4.945 4.320 0.084 0.000 0.313 97 A C 0.604 178.189 177.584 0.002 0.000 1.410 97 A CA 0.302 52.342 52.037 0.004 0.000 1.060 97 A CB -0.835 18.169 19.000 0.006 0.000 1.137 97 A HN 1.231 nan 8.150 nan 0.000 0.542 98 G N 1.360 110.161 108.800 0.001 0.000 2.721 98 G HA2 0.047 4.057 3.960 0.084 0.000 0.686 98 G HA3 0.047 4.057 3.960 0.084 0.000 0.686 98 G C 0.752 175.651 174.900 -0.003 0.000 1.236 98 G CA 0.218 45.318 45.100 -0.001 0.000 0.786 98 G HN 1.916 nan 8.290 nan 0.000 0.616 99 S N 0.213 115.910 115.700 -0.004 0.000 2.442 99 S HA -0.085 4.436 4.470 0.084 0.000 0.236 99 S C 1.576 176.172 174.600 -0.007 0.000 1.007 99 S CA 1.635 59.831 58.200 -0.006 0.000 0.965 99 S CB -0.024 63.172 63.200 -0.007 0.000 0.773 99 S HN 0.804 nan 8.310 nan 0.000 0.504 100 R N 0.954 121.451 120.500 -0.005 0.000 2.633 100 R HA 0.374 4.765 4.340 0.084 0.000 0.348 100 R C 0.813 177.111 176.300 -0.004 0.000 1.100 100 R CA 0.072 56.169 56.100 -0.005 0.000 1.068 100 R CB 0.780 31.077 30.300 -0.005 0.000 1.351 100 R HN 0.431 nan 8.270 nan 0.000 0.575 101 G N 1.673 110.471 108.800 -0.003 0.000 2.613 101 G HA2 0.425 4.435 3.960 0.084 0.000 0.303 101 G HA3 0.425 4.435 3.960 0.084 0.000 0.303 101 G C -2.448 172.451 174.900 -0.001 0.000 1.312 101 G CA -1.258 43.842 45.100 -0.001 0.000 1.036 101 G HN -0.111 nan 8.290 nan 0.000 0.513 102 P HA 0.222 nan 4.420 nan 0.000 0.275 102 P C -0.151 177.151 177.300 0.002 0.000 1.228 102 P CA -0.049 63.052 63.100 0.002 0.000 0.786 102 P CB 0.857 32.560 31.700 0.004 0.000 0.927 103 T N 2.580 117.135 114.554 0.002 0.000 2.919 103 T HA 0.270 4.670 4.350 0.084 0.000 0.302 103 T C 0.466 175.171 174.700 0.009 0.000 1.031 103 T CA -0.150 61.951 62.100 0.002 0.000 1.127 103 T CB 0.041 68.909 68.868 -0.001 0.000 0.952 103 T HN 0.189 nan 8.240 nan 0.000 0.540 104 L N 3.435 124.665 121.223 0.012 0.000 2.325 104 L HA 0.331 4.721 4.340 0.084 0.000 0.279 104 L C 1.356 178.244 176.870 0.029 0.000 1.054 104 L CA -0.799 54.054 54.840 0.021 0.000 0.804 104 L CB 0.959 43.033 42.059 0.024 0.000 1.200 104 L HN 0.505 nan 8.230 nan 0.000 0.436 105 L N 2.408 123.651 121.223 0.034 0.000 2.191 105 L HA -0.183 4.207 4.340 0.084 0.000 0.212 105 L C 2.259 179.167 176.870 0.063 0.000 1.103 105 L CA 1.642 56.508 54.840 0.043 0.000 0.769 105 L CB -0.556 41.526 42.059 0.038 0.000 0.908 105 L HN 0.793 nan 8.230 nan 0.000 0.438 106 E N -1.643 118.599 120.200 0.070 0.000 2.511 106 E HA -0.148 4.253 4.350 0.084 0.000 0.196 106 E C 0.191 176.891 176.600 0.167 0.000 1.066 106 E CA 0.106 56.573 56.400 0.112 0.000 0.871 106 E CB -0.499 29.258 29.700 0.095 0.000 0.863 106 E HN 0.357 nan 8.360 nan 0.000 0.520 107 D N 1.314 121.769 120.400 0.093 0.000 2.441 107 D HA -0.053 4.637 4.640 0.084 0.000 0.243 107 D C 0.421 176.742 176.300 0.035 0.000 1.257 107 D CA -0.411 53.604 54.000 0.025 0.000 1.027 107 D CB -0.079 40.704 40.800 -0.029 0.000 1.084 107 D HN 0.306 nan 8.370 nan 0.000 0.514 108 F N 2.255 122.212 119.950 0.012 0.000 2.456 108 F HA 0.095 4.672 4.527 0.084 0.000 0.298 108 F C 1.602 177.411 175.800 0.016 0.000 1.104 108 F CA 0.064 58.073 58.000 0.015 0.000 1.435 108 F CB -0.584 38.423 39.000 0.012 0.000 1.078 108 F HN 0.190 nan 8.300 nan 0.000 0.546 109 I N 0.370 120.538 120.570 -0.671 0.000 2.193 109 I HA -0.197 4.023 4.170 0.084 0.000 0.240 109 I C 2.480 178.481 176.117 -0.193 0.000 1.084 109 I CA 1.063 62.073 61.300 -0.482 0.000 1.365 109 I CB -0.512 37.145 38.000 -0.572 0.000 1.064 109 I HN 0.272 nan 8.210 nan 0.000 0.410 110 L N 1.074 122.202 121.223 -0.160 0.000 2.012 110 L HA -0.197 4.194 4.340 0.084 0.000 0.210 110 L C 2.603 179.464 176.870 -0.016 0.000 1.073 110 L CA 1.861 56.656 54.840 -0.075 0.000 0.748 110 L CB -0.582 41.441 42.059 -0.059 0.000 0.891 110 L HN 0.057 nan 8.230 nan 0.000 0.431 111 R N -0.632 119.874 120.500 0.009 0.000 2.092 111 R HA -0.164 4.227 4.340 0.084 0.000 0.231 111 R C 2.299 178.648 176.300 0.083 0.000 1.119 111 R CA 1.476 57.612 56.100 0.059 0.000 0.970 111 R CB -0.344 30.004 30.300 0.080 0.000 0.864 111 R HN 0.589 nan 8.270 nan 0.000 0.440 112 E N 1.208 121.456 120.200 0.080 0.000 2.047 112 E HA -0.230 4.170 4.350 0.084 0.000 0.191 112 E C 1.926 178.595 176.600 0.114 0.000 0.987 112 E CA 1.199 57.661 56.400 0.105 0.000 0.799 112 E CB 0.116 29.878 29.700 0.102 0.000 0.752 112 E HN 0.133 nan 8.360 nan 0.000 0.449 113 K N 0.288 120.726 120.400 0.064 0.000 2.009 113 K HA -0.165 4.206 4.320 0.084 0.000 0.210 113 K C 2.155 178.831 176.600 0.126 0.000 1.049 113 K CA 1.539 57.864 56.287 0.064 0.000 0.929 113 K CB -0.070 32.425 32.500 -0.008 0.000 0.714 113 K HN 0.147 nan 8.250 nan 0.000 0.440 114 I N 1.298 121.928 120.570 0.101 0.000 2.252 114 I HA -0.204 4.017 4.170 0.084 0.000 0.245 114 I C 2.210 178.475 176.117 0.248 0.000 1.102 114 I CA 1.433 62.825 61.300 0.153 0.000 1.385 114 I CB -1.495 36.561 38.000 0.093 0.000 1.064 114 I HN 0.268 nan 8.210 nan 0.000 0.414 115 T N -0.248 114.430 114.554 0.207 0.000 2.684 115 T HA -0.240 4.160 4.350 0.084 0.000 0.267 115 T C 1.964 176.840 174.700 0.293 0.000 1.036 115 T CA 1.539 63.788 62.100 0.249 0.000 1.148 115 T CB -0.466 68.502 68.868 0.168 0.000 0.863 115 T HN 0.355 nan 8.240 nan 0.000 0.436 116 H N -0.070 119.102 119.070 0.171 0.000 2.389 116 H HA -0.055 4.552 4.556 0.085 0.000 0.299 116 H C 2.181 177.610 175.328 0.169 0.000 1.081 116 H CA 1.414 57.548 56.048 0.143 0.000 1.345 116 H CB -0.401 29.417 29.762 0.093 0.000 1.393 116 H HN 0.396 nan 8.280 nan 0.000 0.520 117 F N 2.126 122.176 119.950 0.166 0.000 2.134 117 F HA -0.190 4.389 4.527 0.085 0.000 0.299 117 F C 1.978 177.780 175.800 0.004 0.000 1.097 117 F CA 1.709 59.755 58.000 0.076 0.000 1.264 117 F CB -0.378 38.653 39.000 0.052 0.000 1.001 117 F HN 0.057 nan 8.300 nan 0.000 0.479 118 D N -0.995 119.408 120.400 0.006 0.000 2.221 118 D HA -0.177 4.513 4.640 0.084 0.000 0.204 118 D C 1.451 177.512 176.300 -0.398 0.000 0.982 118 D CA 1.363 55.232 54.000 -0.219 0.000 0.857 118 D CB -0.482 40.267 40.800 -0.085 0.000 0.934 118 D HN 0.518 nan 8.370 nan 0.000 0.475 119 H N -0.121 118.830 119.070 -0.198 0.000 2.487 119 H HA 0.193 4.799 4.556 0.083 0.000 0.290 119 H C 1.023 176.193 175.328 -0.264 0.000 1.081 119 H CA -0.041 55.885 56.048 -0.203 0.000 1.116 119 H CB 0.580 30.229 29.762 -0.188 0.000 1.560 119 H HN 0.285 nan 8.280 nan 0.000 0.548 120 E N 0.708 120.761 120.200 -0.245 0.000 2.150 120 E HA -0.047 4.353 4.350 0.084 0.000 0.193 120 E C 0.517 176.972 176.600 -0.242 0.000 0.985 120 E CA 0.543 56.775 56.400 -0.281 0.000 0.814 120 E CB 0.441 29.959 29.700 -0.302 0.000 0.752 120 E HN 0.206 nan 8.360 nan 0.000 0.466 121 R N 1.169 121.574 120.500 -0.157 0.000 2.459 121 R HA 0.378 4.768 4.340 0.084 0.000 0.281 121 R C 0.444 176.774 176.300 0.049 0.000 1.050 121 R CA -0.285 55.793 56.100 -0.037 0.000 1.055 121 R CB 0.817 31.084 30.300 -0.056 0.000 1.045 121 R HN 0.145 nan 8.270 nan 0.000 0.495 122 I N -1.207 119.454 120.570 0.152 0.000 2.957 122 I HA 0.595 4.815 4.170 0.084 0.000 0.310 122 I C -2.241 173.927 176.117 0.085 0.000 1.063 122 I CA -2.977 58.400 61.300 0.129 0.000 1.033 122 I CB 1.722 39.831 38.000 0.183 0.000 1.230 122 I HN 0.232 nan 8.210 nan 0.000 0.447 123 P HA 0.118 nan 4.420 nan 0.000 0.268 123 P C -0.910 176.408 177.300 0.030 0.000 1.204 123 P CA -0.110 63.005 63.100 0.026 0.000 0.768 123 P CB 0.448 32.153 31.700 0.008 0.000 0.842 124 E N 2.764 122.983 120.200 0.032 0.000 2.392 124 E HA 0.204 4.604 4.350 0.084 0.000 0.256 124 E C -0.386 176.225 176.600 0.018 0.000 1.145 124 E CA -0.830 55.593 56.400 0.039 0.000 0.929 124 E CB 0.621 30.348 29.700 0.045 0.000 0.998 124 E HN 0.264 nan 8.360 nan 0.000 0.442 125 R N 0.441 120.956 120.500 0.026 0.000 2.756 125 R HA -0.010 4.380 4.340 0.084 0.000 0.264 125 R C 1.311 177.615 176.300 0.006 0.000 1.026 125 R CA -0.386 55.722 56.100 0.013 0.000 1.121 125 R CB 0.258 30.588 30.300 0.050 0.000 0.999 125 R HN 0.570 nan 8.270 nan 0.000 0.449 126 I N 1.335 121.900 120.570 -0.009 0.000 2.252 126 I HA -0.112 4.109 4.170 0.084 0.000 0.245 126 I C 1.157 177.274 176.117 0.000 0.000 1.102 126 I CA 1.472 62.769 61.300 -0.004 0.000 1.385 126 I CB -0.812 37.185 38.000 -0.004 0.000 1.064 126 I HN 0.405 nan 8.210 nan 0.000 0.414 127 V N -3.229 116.697 119.914 0.018 0.000 3.102 127 V HA 0.526 4.697 4.120 0.084 0.000 0.312 127 V C 0.386 176.459 176.094 -0.034 0.000 1.135 127 V CA -0.788 61.480 62.300 -0.054 0.000 1.022 127 V CB 1.830 33.653 31.823 0.001 0.000 1.056 127 V HN 0.389 nan 8.190 nan 0.000 0.436 128 H N 0.156 119.283 119.070 0.094 0.000 2.899 128 H HA -0.200 4.406 4.556 0.083 0.000 0.282 128 H C 1.469 176.839 175.328 0.068 0.000 1.198 128 H CA 0.969 57.066 56.048 0.081 0.000 1.140 128 H CB -1.456 28.343 29.762 0.062 0.000 1.317 128 H HN 1.203 nan 8.280 nan 0.000 0.375 129 A N 0.458 123.326 122.820 0.080 0.000 2.015 129 A HA -0.059 4.312 4.320 0.084 0.000 0.219 129 A C 1.728 179.389 177.584 0.129 0.000 1.163 129 A CA 1.173 53.264 52.037 0.091 0.000 0.646 129 A CB -0.012 19.020 19.000 0.053 0.000 0.806 129 A HN 0.219 nan 8.150 nan 0.000 0.448 130 R N 0.278 120.860 120.500 0.137 0.000 2.198 130 R HA 0.515 4.906 4.340 0.084 0.000 0.339 130 R C -0.139 176.290 176.300 0.215 0.000 1.020 130 R CA 0.668 56.873 56.100 0.176 0.000 0.864 130 R CB 0.204 30.597 30.300 0.155 0.000 1.105 130 R HN 0.295 nan 8.270 nan 0.000 0.463 131 G N 0.744 109.692 108.800 0.247 0.000 2.677 131 G HA2 0.530 4.540 3.960 0.084 0.000 0.291 131 G HA3 0.530 4.540 3.960 0.084 0.000 0.291 131 G C -1.585 173.468 174.900 0.254 0.000 1.435 131 G CA -0.590 44.623 45.100 0.188 0.000 0.826 131 G HN 0.464 nan 8.290 nan 0.000 0.491 132 S N -0.998 114.795 115.700 0.156 0.000 2.571 132 S HA 0.869 5.389 4.470 0.084 0.000 0.284 132 S C -0.145 174.460 174.600 0.009 0.000 1.128 132 S CA -0.173 58.171 58.200 0.240 0.000 0.970 132 S CB 1.694 65.150 63.200 0.427 0.000 1.039 132 S HN 1.493 nan 8.310 nan 0.000 0.485 133 A N 1.694 124.475 122.820 -0.066 0.000 2.479 133 A HA 1.041 5.411 4.320 0.084 0.000 0.296 133 A C -0.909 176.456 177.584 -0.365 0.000 1.121 133 A CA -0.753 51.029 52.037 -0.424 0.000 0.743 133 A CB 1.621 20.231 19.000 -0.650 0.000 1.323 133 A HN 1.339 nan 8.150 nan 0.000 0.415 134 A N 0.330 122.769 122.820 -0.635 0.000 2.606 134 A HA 0.711 5.082 4.320 0.084 0.000 0.293 134 A C -1.105 176.232 177.584 -0.411 0.000 1.082 134 A CA -0.657 51.167 52.037 -0.356 0.000 0.685 134 A CB 0.750 19.649 19.000 -0.169 0.000 1.284 134 A HN 0.877 nan 8.150 nan 0.000 0.408 135 H N -0.213 118.832 119.070 -0.043 0.000 2.482 135 H HA 0.671 5.277 4.556 0.084 0.000 0.344 135 H C 0.616 175.929 175.328 -0.026 0.000 1.151 135 H CA 0.816 56.910 56.048 0.078 0.000 1.300 135 H CB 1.826 31.659 29.762 0.119 0.000 1.494 135 H HN 1.124 nan 8.280 nan 0.000 0.542 136 G N 0.764 109.658 108.800 0.157 0.000 2.578 136 G HA2 0.365 4.375 3.960 0.084 0.000 0.302 136 G HA3 0.365 4.375 3.960 0.084 0.000 0.302 136 G C -2.052 172.974 174.900 0.211 0.000 1.243 136 G CA -0.653 44.497 45.100 0.083 0.000 0.843 136 G HN 0.628 nan 8.290 nan 0.000 0.486 137 Y N -1.707 118.634 120.300 0.067 0.000 2.581 137 Y HA 0.829 5.429 4.550 0.084 0.000 0.337 137 Y C -1.824 174.210 175.900 0.225 0.000 1.108 137 Y CA -2.043 56.139 58.100 0.137 0.000 1.033 137 Y CB 1.755 40.265 38.460 0.084 0.000 1.318 137 Y HN 0.831 nan 8.280 nan 0.000 0.459 138 F N 2.471 122.559 119.950 0.230 0.000 2.563 138 F HA 0.725 5.304 4.527 0.086 0.000 0.316 138 F C -1.263 174.722 175.800 0.309 0.000 1.076 138 F CA -0.593 57.553 58.000 0.242 0.000 0.921 138 F CB 2.360 41.629 39.000 0.448 0.000 1.209 138 F HN 0.810 nan 8.300 nan 0.000 0.462 139 Q N 6.757 125.953 119.800 -1.006 0.000 2.295 139 Q HA 0.442 4.833 4.340 0.084 0.000 0.268 139 Q C -2.986 172.388 176.000 -1.043 0.000 1.010 139 Q CA -2.315 53.073 55.803 -0.691 0.000 0.856 139 Q CB 3.031 31.659 28.738 -0.184 0.000 1.349 139 Q HN 0.363 nan 8.270 nan 0.000 0.412 140 P HA 0.043 nan 4.420 nan 0.000 0.274 140 P C -0.390 176.766 177.300 -0.240 0.000 1.231 140 P CA -0.004 62.856 63.100 -0.401 0.000 0.790 140 P CB 0.600 32.232 31.700 -0.113 0.000 0.951 141 Y N 0.964 121.209 120.300 -0.092 0.000 2.337 141 Y HA -0.008 4.593 4.550 0.085 0.000 0.293 141 Y C 1.537 177.412 175.900 -0.041 0.000 1.123 141 Y CA 1.084 59.149 58.100 -0.057 0.000 1.201 141 Y CB -0.210 38.225 38.460 -0.042 0.000 1.011 141 Y HN 0.400 nan 8.280 nan 0.000 0.545 142 K N -1.771 118.693 120.400 0.106 0.000 2.533 142 K HA 0.482 4.853 4.320 0.084 0.000 0.272 142 K C -0.595 176.010 176.600 0.009 0.000 0.985 142 K CA -0.924 55.393 56.287 0.050 0.000 0.876 142 K CB 1.735 34.266 32.500 0.051 0.000 1.452 142 K HN -0.235 nan 8.250 nan 0.000 0.439 143 S N 0.912 116.614 115.700 0.003 0.000 2.537 143 S HA 0.138 4.659 4.470 0.084 0.000 0.286 143 S C 0.283 174.872 174.600 -0.018 0.000 1.299 143 S CA -0.565 57.627 58.200 -0.013 0.000 1.067 143 S CB -0.220 62.976 63.200 -0.007 0.000 0.864 143 S HN 0.537 nan 8.310 nan 0.000 0.494 144 L N 4.966 126.167 121.223 -0.036 0.000 3.094 144 L HA 0.180 4.570 4.340 0.084 0.000 0.254 144 L C 1.822 178.674 176.870 -0.030 0.000 1.298 144 L CA -0.180 54.646 54.840 -0.024 0.000 1.050 144 L CB -0.054 41.996 42.059 -0.015 0.000 1.420 144 L HN 0.856 nan 8.230 nan 0.000 0.548 145 S N -2.229 113.453 115.700 -0.030 0.000 2.447 145 S HA -0.142 4.378 4.470 0.084 0.000 0.233 145 S C 1.245 175.827 174.600 -0.030 0.000 1.006 145 S CA 0.812 58.992 58.200 -0.033 0.000 0.957 145 S CB -0.049 63.136 63.200 -0.025 0.000 0.773 145 S HN 0.397 nan 8.310 nan 0.000 0.507 146 D N 1.978 122.366 120.400 -0.021 0.000 2.269 146 D HA 0.047 4.737 4.640 0.084 0.000 0.208 146 D C 1.787 178.069 176.300 -0.030 0.000 0.963 146 D CA 1.288 55.275 54.000 -0.021 0.000 0.864 146 D CB -0.109 40.684 40.800 -0.012 0.000 0.936 146 D HN 0.798 nan 8.370 nan 0.000 0.505 147 I N -3.957 116.597 120.570 -0.028 0.000 4.139 147 I HA 0.214 4.435 4.170 0.084 0.000 0.320 147 I C 0.548 176.622 176.117 -0.071 0.000 1.290 147 I CA -0.008 61.266 61.300 -0.043 0.000 1.253 147 I CB 1.122 39.115 38.000 -0.011 0.000 1.122 147 I HN -0.267 nan 8.210 nan 0.000 0.421 148 T N 1.547 116.062 114.554 -0.065 0.000 2.923 148 T HA 0.336 4.736 4.350 0.084 0.000 0.311 148 T C -0.130 174.516 174.700 -0.090 0.000 1.183 148 T CA -0.718 61.325 62.100 -0.095 0.000 1.020 148 T CB 1.807 70.611 68.868 -0.106 0.000 1.165 148 T HN 0.424 nan 8.240 nan 0.000 0.482 149 K N 2.384 122.728 120.400 -0.093 0.000 2.410 149 K HA 0.589 4.959 4.320 0.084 0.000 0.200 149 K C 0.661 177.220 176.600 -0.068 0.000 1.023 149 K CA -0.389 55.855 56.287 -0.071 0.000 1.149 149 K CB 0.289 32.753 32.500 -0.061 0.000 0.859 149 K HN 0.500 nan 8.250 nan 0.000 0.514 150 A N 2.041 124.797 122.820 -0.106 0.000 2.545 150 A HA -0.062 4.308 4.320 0.084 0.000 0.253 150 A C 0.572 178.112 177.584 -0.073 0.000 1.074 150 A CA 0.149 52.131 52.037 -0.092 0.000 0.760 150 A CB 0.043 18.913 19.000 -0.216 0.000 1.005 150 A HN 0.483 nan 8.150 nan 0.000 0.506 151 D N 2.132 122.563 120.400 0.052 0.000 2.144 151 D HA -0.218 4.473 4.640 0.084 0.000 0.199 151 D C 1.318 177.684 176.300 0.109 0.000 0.984 151 D CA 2.251 56.297 54.000 0.077 0.000 0.834 151 D CB -0.209 40.664 40.800 0.121 0.000 0.955 151 D HN 0.719 nan 8.370 nan 0.000 0.465 152 F N -0.513 119.456 119.950 0.033 0.000 2.604 152 F HA 0.184 4.762 4.527 0.085 0.000 0.298 152 F C 1.014 176.904 175.800 0.150 0.000 1.131 152 F CA 0.459 58.520 58.000 0.101 0.000 1.457 152 F CB -0.446 38.609 39.000 0.092 0.000 1.095 152 F HN -0.037 nan 8.300 nan 0.000 0.574 153 L N 0.627 121.513 121.223 -0.562 0.000 2.857 153 L HA 0.218 4.609 4.340 0.084 0.000 0.249 153 L C 1.900 178.675 176.870 -0.159 0.000 1.172 153 L CA 0.438 55.046 54.840 -0.387 0.000 0.980 153 L CB -0.155 41.563 42.059 -0.569 0.000 1.299 153 L HN 0.308 nan 8.230 nan 0.000 0.535 154 S N -2.399 113.248 115.700 -0.089 0.000 2.528 154 S HA 0.037 4.557 4.470 0.084 0.000 0.219 154 S C 0.288 174.882 174.600 -0.011 0.000 0.985 154 S CA -0.066 58.109 58.200 -0.041 0.000 0.914 154 S CB 0.066 63.255 63.200 -0.019 0.000 0.776 154 S HN 0.413 nan 8.310 nan 0.000 0.526 155 D N 0.312 120.714 120.400 0.004 0.000 2.937 155 D HA 0.348 5.039 4.640 0.084 0.000 0.215 155 D C -2.417 173.893 176.300 0.017 0.000 1.274 155 D CA -1.554 52.455 54.000 0.014 0.000 0.869 155 D CB 1.873 42.688 40.800 0.024 0.000 1.675 155 D HN -0.212 nan 8.370 nan 0.000 0.538 156 P HA -0.089 nan 4.420 nan 0.000 0.222 156 P C 0.272 177.583 177.300 0.018 0.000 1.147 156 P CA 0.789 63.895 63.100 0.010 0.000 0.790 156 P CB 0.290 32.008 31.700 0.031 0.000 0.780 157 N N -0.428 118.289 118.700 0.027 0.000 2.270 157 N HA 0.020 4.810 4.740 0.084 0.000 0.198 157 N C 0.527 176.064 175.510 0.044 0.000 1.117 157 N CA 0.114 53.182 53.050 0.032 0.000 0.845 157 N CB 0.430 38.932 38.487 0.026 0.000 0.980 157 N HN 0.269 nan 8.380 nan 0.000 0.486 158 K N 1.626 122.061 120.400 0.058 0.000 2.267 158 K HA 0.319 4.690 4.320 0.084 0.000 0.282 158 K C -0.495 176.185 176.600 0.134 0.000 1.078 158 K CA -0.222 56.121 56.287 0.094 0.000 0.903 158 K CB 0.523 33.087 32.500 0.107 0.000 1.111 158 K HN -0.051 nan 8.250 nan 0.000 0.475 159 I N 3.172 123.824 120.570 0.136 0.000 2.385 159 I HA 0.164 4.384 4.170 0.084 0.000 0.294 159 I C -0.109 176.169 176.117 0.269 0.000 0.988 159 I CA -0.455 60.963 61.300 0.196 0.000 1.265 159 I CB 2.014 40.082 38.000 0.114 0.000 1.388 159 I HN 0.536 nan 8.210 nan 0.000 0.480 160 T N 6.756 121.555 114.554 0.409 0.000 2.809 160 T HA 0.364 4.764 4.350 0.084 0.000 0.284 160 T C -2.518 172.442 174.700 0.432 0.000 0.992 160 T CA -1.348 61.017 62.100 0.441 0.000 0.957 160 T CB 1.751 70.991 68.868 0.620 0.000 0.942 160 T HN 0.232 nan 8.240 nan 0.000 0.439 161 P HA 0.312 nan 4.420 nan 0.000 0.271 161 P C -0.668 176.873 177.300 0.402 0.000 1.218 161 P CA -0.439 62.856 63.100 0.325 0.000 0.780 161 P CB 0.608 32.428 31.700 0.200 0.000 0.901 162 V N -0.340 119.756 119.914 0.302 0.000 3.130 162 V HA 0.744 4.914 4.120 0.084 0.000 0.310 162 V C -1.409 174.855 176.094 0.284 0.000 1.158 162 V CA -0.964 61.424 62.300 0.147 0.000 1.029 162 V CB 2.274 33.975 31.823 -0.203 0.000 1.057 162 V HN 0.336 nan 8.190 nan 0.000 0.436 163 F N 1.481 121.412 119.950 -0.031 0.000 2.562 163 F HA 0.831 5.408 4.527 0.084 0.000 0.319 163 F C -0.959 174.734 175.800 -0.179 0.000 1.154 163 F CA -0.672 57.251 58.000 -0.127 0.000 0.931 163 F CB 1.963 40.904 39.000 -0.097 0.000 1.198 163 F HN 0.521 nan 8.300 nan 0.000 0.444 164 V N 6.663 126.123 119.914 -0.758 0.000 2.495 164 V HA 0.575 4.745 4.120 0.084 0.000 0.298 164 V C -0.622 174.836 176.094 -1.061 0.000 1.031 164 V CA -0.795 60.999 62.300 -0.843 0.000 0.871 164 V CB 1.880 33.144 31.823 -0.933 0.000 0.988 164 V HN 0.738 nan 8.190 nan 0.000 0.432 165 R N 3.507 123.414 120.500 -0.988 0.000 2.439 165 R HA 0.612 5.003 4.340 0.084 0.000 0.310 165 R C -1.709 173.990 176.300 -1.002 0.000 0.955 165 R CA -0.441 55.151 56.100 -0.847 0.000 0.853 165 R CB 1.122 31.161 30.300 -0.436 0.000 1.171 165 R HN 0.511 nan 8.270 nan 0.000 0.449 166 F N 1.772 121.310 119.950 -0.687 0.000 2.425 166 F HA 0.536 5.114 4.527 0.086 0.000 0.331 166 F C 0.445 175.880 175.800 -0.608 0.000 1.085 166 F CA -0.134 57.330 58.000 -0.894 0.000 1.028 166 F CB 2.141 40.100 39.000 -1.734 0.000 1.177 166 F HN 0.606 nan 8.300 nan 0.000 0.487 167 S N -1.151 114.446 115.700 -0.173 0.000 2.625 167 S HA 0.676 5.196 4.470 0.084 0.000 0.271 167 S C -0.518 174.259 174.600 0.296 0.000 1.161 167 S CA -0.829 57.436 58.200 0.107 0.000 0.820 167 S CB 1.277 64.573 63.200 0.160 0.000 1.137 167 S HN 0.695 nan 8.310 nan 0.000 0.470 168 T N -1.659 113.092 114.554 0.327 0.000 2.833 168 T HA 0.485 4.885 4.350 0.084 0.000 0.312 168 T C 0.791 175.660 174.700 0.282 0.000 1.085 168 T CA 0.055 62.339 62.100 0.307 0.000 0.955 168 T CB 0.138 69.146 68.868 0.233 0.000 1.353 168 T HN 0.789 nan 8.240 nan 0.000 0.544 169 C N -1.067 118.305 119.300 0.121 0.000 2.683 169 C HA 0.315 4.825 4.460 0.084 0.000 0.491 169 C C 2.660 177.525 174.990 -0.208 0.000 1.342 169 C CA -0.112 58.768 59.018 -0.230 0.000 2.476 169 C CB -0.226 27.548 27.740 0.056 0.000 3.150 169 C HN 0.955 nan 8.230 nan 0.000 0.551 170 Q N 1.531 121.292 119.800 -0.065 0.000 2.089 170 Q HA 0.099 4.489 4.340 0.084 0.000 0.195 170 Q C 1.147 177.110 176.000 -0.061 0.000 0.963 170 Q CA 1.262 57.018 55.803 -0.078 0.000 0.834 170 Q CB -0.431 28.264 28.738 -0.071 0.000 0.906 170 Q HN 0.617 nan 8.270 nan 0.000 0.452 171 G N 0.022 108.808 108.800 -0.023 0.000 2.636 171 G HA2 0.340 4.350 3.960 0.084 0.000 0.246 171 G HA3 0.340 4.350 3.960 0.084 0.000 0.246 171 G C 0.178 175.075 174.900 -0.006 0.000 1.216 171 G CA 0.097 45.189 45.100 -0.013 0.000 0.854 171 G HN 0.337 nan 8.290 nan 0.000 0.572 172 G N -1.220 107.574 108.800 -0.009 0.000 2.621 172 G HA2 0.489 4.500 3.960 0.084 0.000 0.271 172 G HA3 0.489 4.500 3.960 0.084 0.000 0.271 172 G C 1.252 176.173 174.900 0.036 0.000 1.236 172 G CA 0.380 45.483 45.100 0.004 0.000 0.958 172 G HN 1.088 nan 8.290 nan 0.000 0.512 173 A N -0.910 121.940 122.820 0.051 0.000 2.121 173 A HA 0.191 4.561 4.320 0.084 0.000 0.218 173 A C 2.128 179.747 177.584 0.059 0.000 1.154 173 A CA 1.762 53.851 52.037 0.086 0.000 0.679 173 A CB -0.237 18.832 19.000 0.114 0.000 0.795 173 A HN 1.051 nan 8.150 nan 0.000 0.458 174 G N -0.207 108.609 108.800 0.026 0.000 3.337 174 G HA2 0.325 4.336 3.960 0.084 0.000 0.246 174 G HA3 0.325 4.336 3.960 0.084 0.000 0.246 174 G C 0.720 175.621 174.900 0.002 0.000 1.131 174 G CA 0.652 45.754 45.100 0.004 0.000 0.773 174 G HN 0.617 nan 8.290 nan 0.000 0.544 175 S N -0.145 115.565 115.700 0.016 0.000 2.652 175 S HA 0.747 5.268 4.470 0.084 0.000 0.267 175 S C 0.404 175.020 174.600 0.026 0.000 1.201 175 S CA -0.092 58.115 58.200 0.011 0.000 0.996 175 S CB 1.536 64.744 63.200 0.013 0.000 1.054 175 S HN 0.547 nan 8.310 nan 0.000 0.561 176 A N -0.023 122.810 122.820 0.021 0.000 2.293 176 A HA 0.480 4.850 4.320 0.084 0.000 0.302 176 A C 0.519 178.129 177.584 0.044 0.000 1.119 176 A CA -0.654 51.394 52.037 0.017 0.000 0.823 176 A CB 0.072 19.064 19.000 -0.014 0.000 1.097 176 A HN 0.836 nan 8.150 nan 0.000 0.491 177 D N 0.575 120.989 120.400 0.025 0.000 2.137 177 D HA -0.064 4.626 4.640 0.084 0.000 0.202 177 D C 1.532 177.819 176.300 -0.021 0.000 0.970 177 D CA 2.231 56.260 54.000 0.047 0.000 0.837 177 D CB -0.195 40.579 40.800 -0.045 0.000 0.981 177 D HN 0.673 nan 8.370 nan 0.000 0.475 178 T N -0.037 114.426 114.554 -0.150 0.000 3.418 178 T HA 0.296 4.697 4.350 0.084 0.000 0.239 178 T C 0.838 175.542 174.700 0.007 0.000 0.905 178 T CA -0.580 61.438 62.100 -0.136 0.000 0.929 178 T CB -0.946 67.769 68.868 -0.255 0.000 1.121 178 T HN -0.085 nan 8.240 nan 0.000 0.608 179 V N -1.301 118.667 119.914 0.089 0.000 3.441 179 V HA 0.475 4.646 4.120 0.084 0.000 0.300 179 V C 0.666 176.914 176.094 0.256 0.000 1.091 179 V CA -1.471 60.931 62.300 0.170 0.000 1.099 179 V CB 0.456 32.365 31.823 0.144 0.000 1.138 179 V HN 0.557 nan 8.190 nan 0.000 0.471 180 R N 1.301 121.992 120.500 0.319 0.000 2.221 180 R HA 0.524 4.915 4.340 0.084 0.000 0.327 180 R C -1.021 175.368 176.300 0.148 0.000 1.033 180 R CA -0.078 56.162 56.100 0.233 0.000 0.887 180 R CB 0.280 30.634 30.300 0.089 0.000 1.057 180 R HN 1.075 nan 8.270 nan 0.000 0.455 181 D N 3.267 123.772 120.400 0.175 0.000 2.798 181 D HA 0.150 4.841 4.640 0.084 0.000 0.265 181 D C -0.720 175.722 176.300 0.237 0.000 1.223 181 D CA -0.588 53.514 54.000 0.170 0.000 0.743 181 D CB 1.040 41.937 40.800 0.161 0.000 1.276 181 D HN 0.423 nan 8.370 nan 0.000 0.421 182 I N 1.337 122.076 120.570 0.282 0.000 2.836 182 I HA 0.188 4.409 4.170 0.084 0.000 0.285 182 I C 0.712 177.030 176.117 0.335 0.000 1.174 182 I CA -0.098 61.384 61.300 0.304 0.000 1.405 182 I CB 0.380 38.588 38.000 0.347 0.000 1.385 182 I HN 0.082 nan 8.210 nan 0.000 0.594 183 R N 3.214 123.907 120.500 0.321 0.000 2.637 183 R HA 0.482 4.872 4.340 0.084 0.000 0.291 183 R C -0.235 176.216 176.300 0.251 0.000 0.963 183 R CA -0.832 55.462 56.100 0.324 0.000 0.901 183 R CB 1.551 32.045 30.300 0.323 0.000 1.160 183 R HN 0.780 nan 8.270 nan 0.000 0.457 184 G N 1.038 109.928 108.800 0.151 0.000 2.420 184 G HA2 0.444 4.455 3.960 0.084 0.000 0.284 184 G HA3 0.444 4.455 3.960 0.084 0.000 0.284 184 G C -1.209 173.664 174.900 -0.046 0.000 1.177 184 G CA -0.029 44.991 45.100 -0.134 0.000 0.841 184 G HN 0.365 nan 8.290 nan 0.000 0.527 185 F N 1.972 121.747 119.950 -0.292 0.000 3.090 185 F HA 0.630 5.207 4.527 0.083 0.000 0.381 185 F C -0.219 175.266 175.800 -0.525 0.000 1.231 185 F CA -1.863 55.907 58.000 -0.384 0.000 1.177 185 F CB 0.880 39.778 39.000 -0.170 0.000 1.598 185 F HN 0.667 nan 8.300 nan 0.000 0.589 186 A N 3.162 125.700 122.820 -0.469 0.000 2.304 186 A HA 0.803 5.173 4.320 0.084 0.000 0.323 186 A C -0.549 176.595 177.584 -0.735 0.000 1.195 186 A CA -0.429 51.160 52.037 -0.747 0.000 0.826 186 A CB 0.863 19.007 19.000 -1.427 0.000 1.184 186 A HN 0.534 nan 8.150 nan 0.000 0.496 187 T N 2.266 116.553 114.554 -0.444 0.000 2.840 187 T HA 0.384 4.784 4.350 0.084 0.000 0.287 187 T C -0.419 174.110 174.700 -0.285 0.000 0.991 187 T CA -0.476 61.388 62.100 -0.392 0.000 0.964 187 T CB 1.035 69.643 68.868 -0.433 0.000 0.954 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.659 123.960 120.400 -0.166 0.000 2.281 188 K HA 0.461 4.831 4.320 0.084 0.000 0.272 188 K C -1.237 175.024 176.600 -0.565 0.000 1.048 188 K CA -0.573 55.523 56.287 -0.317 0.000 0.898 188 K CB 0.338 32.589 32.500 -0.414 0.000 1.128 188 K HN 0.370 nan 8.250 nan 0.000 0.460 189 F N 3.957 123.619 119.950 -0.479 0.000 2.410 189 F HA 0.239 4.816 4.527 0.082 0.000 0.349 189 F C -0.340 175.245 175.800 -0.358 0.000 1.117 189 F CA -0.551 57.233 58.000 -0.359 0.000 1.104 189 F CB 0.729 39.440 39.000 -0.481 0.000 1.122 189 F HN 0.425 nan 8.300 nan 0.000 0.483 190 Y N 1.592 121.952 120.300 0.101 0.000 2.714 190 Y HA 0.240 4.840 4.550 0.084 0.000 0.333 190 Y C 0.940 176.899 175.900 0.098 0.000 1.220 190 Y CA -0.957 57.182 58.100 0.065 0.000 1.513 190 Y CB -0.241 38.246 38.460 0.044 0.000 1.435 190 Y HN 0.547 nan 8.280 nan 0.000 0.489 191 T N -2.462 112.187 114.554 0.157 0.000 2.874 191 T HA 0.165 4.566 4.350 0.084 0.000 0.281 191 T C 0.979 175.771 174.700 0.154 0.000 0.994 191 T CA -0.695 61.505 62.100 0.167 0.000 1.015 191 T CB 1.064 70.004 68.868 0.120 0.000 1.028 191 T HN 0.648 nan 8.240 nan 0.000 0.523 192 E N 0.122 120.418 120.200 0.161 0.000 2.472 192 E HA -0.043 4.358 4.350 0.084 0.000 0.200 192 E C 0.991 177.655 176.600 0.107 0.000 1.046 192 E CA 0.653 57.128 56.400 0.126 0.000 0.871 192 E CB 0.130 29.900 29.700 0.118 0.000 0.806 192 E HN 0.726 nan 8.360 nan 0.000 0.533 193 E N 0.024 120.289 120.200 0.107 0.000 2.734 193 E HA 0.243 4.643 4.350 0.084 0.000 0.211 193 E C 0.037 176.678 176.600 0.069 0.000 0.991 193 E CA -0.236 56.218 56.400 0.090 0.000 1.065 193 E CB 1.335 31.094 29.700 0.097 0.000 1.047 193 E HN 0.186 nan 8.360 nan 0.000 0.470 194 G N 1.140 109.975 108.800 0.058 0.000 2.406 194 G HA2 -0.103 3.908 3.960 0.084 0.000 0.680 194 G HA3 -0.103 3.908 3.960 0.084 0.000 0.680 194 G C -0.797 174.097 174.900 -0.011 0.000 1.338 194 G CA -1.093 44.014 45.100 0.012 0.000 0.941 194 G HN 0.069 nan 8.290 nan 0.000 0.633 195 I N 0.874 121.397 120.570 -0.078 0.000 2.533 195 I HA 0.319 4.539 4.170 0.084 0.000 0.284 195 I C 0.069 176.160 176.117 -0.043 0.000 1.109 195 I CA -0.056 61.169 61.300 -0.125 0.000 1.412 195 I CB 0.762 38.615 38.000 -0.245 0.000 1.396 195 I HN 0.441 nan 8.210 nan 0.000 0.543 196 F N 7.126 126.949 119.950 -0.212 0.000 2.444 196 F HA 0.438 5.014 4.527 0.082 0.000 0.342 196 F C -0.607 175.145 175.800 -0.079 0.000 1.121 196 F CA -1.224 56.648 58.000 -0.214 0.000 0.997 196 F CB 0.765 39.467 39.000 -0.497 0.000 1.130 196 F HN 0.332 nan 8.300 nan 0.000 0.454 197 D N 6.854 127.079 120.400 -0.292 0.000 2.256 197 D HA 0.259 4.949 4.640 0.084 0.000 0.240 197 D C -0.730 175.131 176.300 -0.733 0.000 1.062 197 D CA -0.055 53.709 54.000 -0.393 0.000 0.832 197 D CB 2.428 43.204 40.800 -0.041 0.000 1.135 197 D HN 0.640 nan 8.370 nan 0.000 0.484 198 L N 3.143 123.903 121.223 -0.771 0.000 2.297 198 L HA 0.296 4.687 4.340 0.084 0.000 0.277 198 L C -1.063 175.598 176.870 -0.349 0.000 1.040 198 L CA -0.630 53.807 54.840 -0.670 0.000 0.867 198 L CB 0.657 42.326 42.059 -0.649 0.000 1.244 198 L HN 0.055 nan 8.230 nan 0.000 0.433 199 V N 5.229 124.986 119.914 -0.262 0.000 2.259 199 V HA 0.526 4.697 4.120 0.084 0.000 0.267 199 V C 0.790 176.793 176.094 -0.151 0.000 1.051 199 V CA -0.316 61.839 62.300 -0.242 0.000 0.830 199 V CB 0.499 32.171 31.823 -0.251 0.000 1.080 199 V HN 0.807 nan 8.190 nan 0.000 0.467 200 G N 3.259 111.968 108.800 -0.152 0.000 3.016 200 G HA2 0.694 4.705 3.960 0.084 0.000 0.270 200 G HA3 0.694 4.705 3.960 0.084 0.000 0.270 200 G C -0.914 173.958 174.900 -0.046 0.000 1.352 200 G CA -0.598 44.454 45.100 -0.080 0.000 1.060 200 G HN 0.486 nan 8.290 nan 0.000 0.538 201 N N -1.115 117.609 118.700 0.041 0.000 3.038 201 N HA 0.248 5.038 4.740 0.084 0.000 0.307 201 N C 0.245 175.901 175.510 0.242 0.000 1.441 201 N CA -0.735 52.389 53.050 0.122 0.000 0.772 201 N CB 1.258 39.819 38.487 0.124 0.000 1.651 201 N HN 0.519 nan 8.380 nan 0.000 0.593 202 N N -1.211 117.659 118.700 0.284 0.000 2.268 202 N HA 0.005 4.796 4.740 0.084 0.000 0.204 202 N C -0.635 175.125 175.510 0.416 0.000 1.124 202 N CA -0.075 53.201 53.050 0.378 0.000 0.838 202 N CB -0.146 38.547 38.487 0.343 0.000 0.994 202 N HN 0.544 nan 8.380 nan 0.000 0.489 203 T N -3.412 111.219 114.554 0.128 0.000 2.900 203 T HA 0.434 4.834 4.350 0.084 0.000 0.295 203 T C -2.652 171.450 174.700 -0.996 0.000 1.044 203 T CA -1.551 60.212 62.100 -0.561 0.000 0.995 203 T CB 3.045 71.491 68.868 -0.704 0.000 1.072 203 T HN -0.222 nan 8.240 nan 0.000 0.473 204 P HA 0.197 nan 4.420 nan 0.000 0.249 204 P C 0.358 177.137 177.300 -0.869 0.000 1.229 204 P CA 0.017 62.188 63.100 -1.549 0.000 0.788 204 P CB -0.038 30.604 31.700 -1.764 0.000 1.072 205 I N -4.649 115.386 120.570 -0.891 0.000 3.174 205 I HA 0.561 4.782 4.170 0.084 0.000 0.313 205 I C -1.278 174.561 176.117 -0.464 0.000 1.155 205 I CA -1.738 59.194 61.300 -0.613 0.000 0.977 205 I CB 1.353 38.957 38.000 -0.659 0.000 1.248 205 I HN -0.289 nan 8.210 nan 0.000 0.453 206 F N 0.929 120.602 119.950 -0.463 0.000 2.572 206 F HA 0.565 5.144 4.527 0.087 0.000 0.342 206 F C 0.446 175.980 175.800 -0.442 0.000 1.064 206 F CA -0.988 56.767 58.000 -0.408 0.000 1.008 206 F CB 1.417 40.313 39.000 -0.173 0.000 1.303 206 F HN 0.390 nan 8.300 nan 0.000 0.492 207 F N 1.769 120.941 119.950 -1.296 0.000 2.259 207 F HA 0.061 4.638 4.527 0.083 0.000 0.298 207 F C 0.804 176.335 175.800 -0.449 0.000 1.088 207 F CA 1.029 58.480 58.000 -0.914 0.000 1.358 207 F CB -0.326 37.723 39.000 -1.586 0.000 1.040 207 F HN 0.168 nan 8.300 nan 0.000 0.505 208 I N -3.230 117.328 120.570 -0.020 0.000 3.067 208 I HA 0.388 4.609 4.170 0.084 0.000 0.312 208 I C 0.514 176.781 176.117 0.250 0.000 1.073 208 I CA -0.809 60.591 61.300 0.168 0.000 1.016 208 I CB 1.801 39.960 38.000 0.265 0.000 1.227 208 I HN -0.152 nan 8.210 nan 0.000 0.456 209 Q N 0.168 120.119 119.800 0.252 0.000 2.324 209 Q HA 0.133 4.524 4.340 0.084 0.000 0.207 209 Q C -0.313 175.865 176.000 0.297 0.000 0.928 209 Q CA 0.557 56.544 55.803 0.307 0.000 0.890 209 Q CB 0.511 29.490 28.738 0.401 0.000 1.001 209 Q HN 0.660 nan 8.270 nan 0.000 0.517 210 D N -1.122 119.426 120.400 0.246 0.000 2.498 210 D HA 0.298 4.988 4.640 0.084 0.000 0.247 210 D C 0.065 176.495 176.300 0.217 0.000 1.070 210 D CA -0.199 53.916 54.000 0.193 0.000 0.842 210 D CB 1.857 42.742 40.800 0.141 0.000 1.361 210 D HN 0.052 nan 8.370 nan 0.000 0.484 211 A N 3.373 126.291 122.820 0.163 0.000 2.024 211 A HA -0.242 4.128 4.320 0.084 0.000 0.220 211 A C 1.809 179.513 177.584 0.199 0.000 1.164 211 A CA 1.741 53.869 52.037 0.152 0.000 0.643 211 A CB -0.809 18.226 19.000 0.057 0.000 0.806 211 A HN 0.827 nan 8.150 nan 0.000 0.451 212 H N -0.027 119.106 119.070 0.104 0.000 2.422 212 H HA -0.044 4.561 4.556 0.082 0.000 0.298 212 H C 1.691 177.098 175.328 0.133 0.000 1.098 212 H CA 1.968 58.071 56.048 0.093 0.000 1.315 212 H CB 0.071 29.866 29.762 0.054 0.000 1.382 212 H HN 0.402 nan 8.280 nan 0.000 0.523 213 K N -0.669 119.875 120.400 0.240 0.000 2.426 213 K HA -0.057 4.314 4.320 0.084 0.000 0.193 213 K C 1.452 178.190 176.600 0.229 0.000 1.028 213 K CA 0.071 56.496 56.287 0.230 0.000 1.047 213 K CB 0.024 32.710 32.500 0.310 0.000 0.821 213 K HN 0.245 nan 8.250 nan 0.000 0.513 214 F N 3.040 123.049 119.950 0.099 0.000 2.091 214 F HA -0.171 4.407 4.527 0.084 0.000 0.299 214 F C -1.086 174.715 175.800 0.001 0.000 1.103 214 F CA 1.374 59.444 58.000 0.117 0.000 1.228 214 F CB -0.850 38.205 39.000 0.092 0.000 0.984 214 F HN 0.026 nan 8.300 nan 0.000 0.477 215 P HA -0.138 nan 4.420 nan 0.000 0.217 215 P C 1.261 178.249 177.300 -0.521 0.000 1.150 215 P CA 1.865 64.724 63.100 -0.400 0.000 0.832 215 P CB -0.078 31.394 31.700 -0.380 0.000 0.787 216 D N -1.146 119.092 120.400 -0.270 0.000 2.092 216 D HA -0.180 4.511 4.640 0.084 0.000 0.193 216 D C 1.790 177.807 176.300 -0.473 0.000 0.994 216 D CA 1.122 55.006 54.000 -0.193 0.000 0.828 216 D CB -0.881 39.990 40.800 0.119 0.000 0.963 216 D HN 0.129 nan 8.370 nan 0.000 0.450 217 F N 1.795 121.335 119.950 -0.682 0.000 2.102 217 F HA -0.203 4.374 4.527 0.083 0.000 0.298 217 F C 2.244 177.652 175.800 -0.652 0.000 1.105 217 F CA 1.096 58.498 58.000 -0.996 0.000 1.239 217 F CB -0.385 38.261 39.000 -0.590 0.000 0.991 217 F HN -0.237 nan 8.300 nan 0.000 0.474 218 V N 0.161 119.643 119.914 -0.720 0.000 2.427 218 V HA -0.300 3.871 4.120 0.084 0.000 0.248 218 V C 2.332 178.203 176.094 -0.371 0.000 1.051 218 V CA 2.284 64.212 62.300 -0.620 0.000 1.048 218 V CB -1.048 30.440 31.823 -0.558 0.000 0.666 218 V HN 0.465 nan 8.190 nan 0.000 0.456 219 H N -0.064 118.765 119.070 -0.403 0.000 2.352 219 H HA -0.156 4.450 4.556 0.084 0.000 0.299 219 H C 2.335 177.500 175.328 -0.270 0.000 1.097 219 H CA 1.159 57.050 56.048 -0.261 0.000 1.311 219 H CB 0.051 29.713 29.762 -0.166 0.000 1.377 219 H HN 0.487 nan 8.280 nan 0.000 0.504 220 A N 0.363 122.994 122.820 -0.314 0.000 1.930 220 A HA -0.097 4.274 4.320 0.084 0.000 0.217 220 A C 2.487 179.910 177.584 -0.269 0.000 1.175 220 A CA 1.264 53.117 52.037 -0.307 0.000 0.627 220 A CB -0.630 18.053 19.000 -0.528 0.000 0.815 220 A HN 0.300 nan 8.150 nan 0.000 0.443 221 V N -0.204 119.415 119.914 -0.492 0.000 2.788 221 V HA -0.002 4.168 4.120 0.084 0.000 0.251 221 V C 0.935 177.004 176.094 -0.043 0.000 1.068 221 V CA 0.872 62.994 62.300 -0.297 0.000 1.090 221 V CB -0.452 31.018 31.823 -0.589 0.000 0.710 221 V HN 0.341 nan 8.190 nan 0.000 0.467 222 K N 0.872 121.209 120.400 -0.105 0.000 2.132 222 K HA 0.259 4.630 4.320 0.084 0.000 0.240 222 K C -2.287 174.255 176.600 -0.096 0.000 1.036 222 K CA -1.729 54.503 56.287 -0.092 0.000 0.888 222 K CB -0.384 32.048 32.500 -0.113 0.000 1.071 222 K HN 0.131 nan 8.250 nan 0.000 0.502 223 P HA -0.050 nan 4.420 nan 0.000 0.265 223 P C -0.527 176.705 177.300 -0.114 0.000 1.187 223 P CA 0.526 63.488 63.100 -0.230 0.000 0.766 223 P CB 0.337 31.914 31.700 -0.204 0.000 0.820 224 E N 4.937 125.112 120.200 -0.042 0.000 2.390 224 E HA 0.023 4.423 4.350 0.084 0.000 0.261 224 E C -1.280 175.381 176.600 0.102 0.000 1.076 224 E CA -1.402 55.075 56.400 0.128 0.000 0.905 224 E CB 0.150 30.035 29.700 0.308 0.000 0.984 224 E HN 0.428 nan 8.360 nan 0.000 0.427 225 P HA -0.191 nan 4.420 nan 0.000 0.222 225 P C 0.983 178.347 177.300 0.107 0.000 1.153 225 P CA 1.340 64.474 63.100 0.057 0.000 0.798 225 P CB 0.075 31.780 31.700 0.008 0.000 0.796 226 H N -0.529 118.562 119.070 0.034 0.000 2.326 226 H HA -0.085 4.521 4.556 0.084 0.000 0.301 226 H C 1.526 176.937 175.328 0.139 0.000 1.081 226 H CA 1.483 57.540 56.048 0.015 0.000 1.334 226 H CB -1.417 28.282 29.762 -0.105 0.000 1.385 226 H HN 0.309 nan 8.280 nan 0.000 0.504 227 W N 0.059 121.023 121.300 -0.560 0.000 2.870 227 W HA 0.700 5.410 4.660 0.083 0.000 0.358 227 W C 0.439 176.794 176.519 -0.273 0.000 1.043 227 W CA -1.181 55.943 57.345 -0.368 0.000 1.692 227 W CB -0.752 28.463 29.460 -0.409 0.000 1.100 227 W HN 0.442 nan 8.180 nan 0.000 0.557 228 A N 1.397 124.216 122.820 -0.001 0.000 2.519 228 A HA -0.125 4.246 4.320 0.084 0.000 0.297 228 A C -0.437 176.928 177.584 -0.366 0.000 1.472 228 A CA 1.426 53.372 52.037 -0.152 0.000 0.739 228 A CB -2.392 16.541 19.000 -0.112 0.000 1.096 228 A HN 0.479 nan 8.150 nan 0.000 0.414 229 I N 0.705 120.922 120.570 -0.587 0.000 2.722 229 I HA 0.541 4.761 4.170 0.084 0.000 0.295 229 I C -2.486 173.334 176.117 -0.495 0.000 1.161 229 I CA -2.266 58.581 61.300 -0.756 0.000 1.032 229 I CB 3.038 40.077 38.000 -1.602 0.000 1.244 229 I HN 0.243 nan 8.210 nan 0.000 0.421 230 P HA 0.331 nan 4.420 nan 0.000 0.287 230 P C -1.612 175.528 177.300 -0.266 0.000 1.290 230 P CA -0.829 62.055 63.100 -0.361 0.000 0.889 230 P CB 1.628 33.193 31.700 -0.225 0.000 1.190 231 Q N 0.255 119.942 119.800 -0.187 0.000 2.261 231 Q HA 0.497 4.887 4.340 0.084 0.000 0.252 231 Q C 0.982 176.945 176.000 -0.062 0.000 0.915 231 Q CA 0.772 56.501 55.803 -0.123 0.000 0.915 231 Q CB -0.186 28.490 28.738 -0.104 0.000 1.204 231 Q HN 0.810 nan 8.270 nan 0.000 0.421 232 G N 3.127 111.901 108.800 -0.044 0.000 2.249 232 G HA2 -0.297 3.714 3.960 0.084 0.000 0.273 232 G HA3 -0.297 3.714 3.960 0.084 0.000 0.273 232 G C -0.444 174.472 174.900 0.027 0.000 1.036 232 G CA 0.650 45.751 45.100 0.001 0.000 0.824 232 G HN 0.541 nan 8.290 nan 0.000 0.504 233 Q N -1.141 118.661 119.800 0.004 0.000 2.309 233 Q HA 0.535 4.926 4.340 0.084 0.000 0.273 233 Q C 0.687 176.697 176.000 0.016 0.000 1.040 233 Q CA -0.110 55.720 55.803 0.046 0.000 0.834 233 Q CB 1.784 30.588 28.738 0.110 0.000 1.345 233 Q HN 0.453 nan 8.270 nan 0.000 0.414 234 S N -0.553 115.047 115.700 -0.167 0.000 2.605 234 S HA 0.233 4.753 4.470 0.084 0.000 0.217 234 S C 0.802 175.264 174.600 -0.230 0.000 0.958 234 S CA -0.034 57.798 58.200 -0.612 0.000 0.919 234 S CB 0.371 62.659 63.200 -1.521 0.000 0.780 234 S HN 0.573 nan 8.310 nan 0.000 0.507 235 A N 2.233 125.160 122.820 0.178 0.000 3.091 235 A HA 0.554 4.925 4.320 0.084 0.000 0.264 235 A C 0.032 177.839 177.584 0.371 0.000 1.673 235 A CA -0.668 51.570 52.037 0.335 0.000 1.362 235 A CB -1.097 18.054 19.000 0.252 0.000 1.137 235 A HN 0.882 nan 8.150 nan 0.000 0.617 236 H N -3.666 115.585 119.070 0.303 0.000 3.042 236 H HA 0.507 5.113 4.556 0.084 0.000 0.346 236 H C -0.311 175.204 175.328 0.311 0.000 1.294 236 H CA -0.783 55.413 56.048 0.246 0.000 1.141 236 H CB 0.384 30.252 29.762 0.175 0.000 1.872 236 H HN 0.059 nan 8.280 nan 0.000 0.541 237 D N 0.488 121.065 120.400 0.295 0.000 2.133 237 D HA -0.236 4.455 4.640 0.084 0.000 0.192 237 D C 2.136 178.507 176.300 0.119 0.000 1.001 237 D CA 3.183 57.295 54.000 0.185 0.000 0.844 237 D CB -0.447 40.430 40.800 0.128 0.000 0.944 237 D HN 0.807 nan 8.370 nan 0.000 0.447 238 T N -1.597 113.032 114.554 0.125 0.000 2.788 238 T HA -0.220 4.180 4.350 0.084 0.000 0.268 238 T C 1.907 176.553 174.700 -0.089 0.000 1.044 238 T CA 0.816 62.947 62.100 0.051 0.000 1.139 238 T CB -0.766 68.175 68.868 0.122 0.000 0.867 238 T HN 0.183 nan 8.240 nan 0.000 0.454 239 F N 0.838 120.491 119.950 -0.495 0.000 2.075 239 F HA 0.040 4.617 4.527 0.083 0.000 0.297 239 F C 1.851 177.386 175.800 -0.442 0.000 1.113 239 F CA 0.936 58.560 58.000 -0.627 0.000 1.218 239 F CB -0.565 37.852 39.000 -0.971 0.000 0.984 239 F HN 0.157 nan 8.300 nan 0.000 0.472 240 W N 0.514 121.755 121.300 -0.098 0.000 2.467 240 W HA -0.070 4.641 4.660 0.086 0.000 0.275 240 W C 2.280 178.733 176.519 -0.110 0.000 1.239 240 W CA 0.964 58.251 57.345 -0.098 0.000 1.266 240 W CB -0.629 28.854 29.460 0.039 0.000 1.112 240 W HN 0.069 nan 8.180 nan 0.000 0.576 241 D N -0.580 119.862 120.400 0.070 0.000 2.084 241 D HA -0.287 4.404 4.640 0.084 0.000 0.194 241 D C 1.886 178.189 176.300 0.006 0.000 0.990 241 D CA 1.470 55.497 54.000 0.044 0.000 0.826 241 D CB -0.572 40.262 40.800 0.056 0.000 0.971 241 D HN 0.172 nan 8.370 nan 0.000 0.453 242 Y N 0.504 120.704 120.300 -0.167 0.000 2.097 242 Y HA -0.239 4.361 4.550 0.084 0.000 0.282 242 Y C 2.341 178.117 175.900 -0.207 0.000 1.152 242 Y CA 1.721 59.708 58.100 -0.188 0.000 1.136 242 Y CB -0.506 37.802 38.460 -0.253 0.000 0.975 242 Y HN -0.110 nan 8.280 nan 0.000 0.498 243 V N 0.126 119.937 119.914 -0.173 0.000 2.332 243 V HA -0.355 3.815 4.120 0.084 0.000 0.248 243 V C 2.591 178.634 176.094 -0.085 0.000 1.055 243 V CA 2.273 64.464 62.300 -0.180 0.000 1.038 243 V CB -1.210 30.417 31.823 -0.326 0.000 0.651 243 V HN 0.679 nan 8.190 nan 0.000 0.450 244 S N -0.144 115.548 115.700 -0.013 0.000 2.419 244 S HA -0.082 4.439 4.470 0.084 0.000 0.233 244 S C 1.746 176.311 174.600 -0.057 0.000 1.016 244 S CA 1.419 59.630 58.200 0.020 0.000 0.974 244 S CB -0.492 62.749 63.200 0.069 0.000 0.786 244 S HN 0.561 nan 8.310 nan 0.000 0.492 245 L N -0.017 121.127 121.223 -0.131 0.000 2.567 245 L HA 0.287 4.677 4.340 0.084 0.000 0.225 245 L C 0.690 177.392 176.870 -0.281 0.000 1.119 245 L CA 0.233 54.967 54.840 -0.176 0.000 0.871 245 L CB -0.052 41.904 42.059 -0.172 0.000 1.036 245 L HN 0.259 nan 8.230 nan 0.000 0.459 246 Q N 0.139 119.731 119.800 -0.348 0.000 3.244 246 Q HA 0.226 4.617 4.340 0.084 0.000 0.249 246 Q C -1.911 173.874 176.000 -0.358 0.000 0.951 246 Q CA -1.476 54.082 55.803 -0.408 0.000 0.740 246 Q CB 1.322 29.710 28.738 -0.583 0.000 1.334 246 Q HN 0.005 nan 8.270 nan 0.000 0.448 247 P HA -0.244 nan 4.420 nan 0.000 0.222 247 P C 1.028 178.037 177.300 -0.485 0.000 1.142 247 P CA 1.265 64.101 63.100 -0.440 0.000 0.788 247 P CB 0.232 31.596 31.700 -0.560 0.000 0.767 248 E N 0.503 120.335 120.200 -0.614 0.000 2.265 248 E HA -0.168 4.232 4.350 0.084 0.000 0.196 248 E C 1.472 178.045 176.600 -0.043 0.000 0.996 248 E CA 1.776 58.073 56.400 -0.172 0.000 0.832 248 E CB -1.238 28.430 29.700 -0.055 0.000 0.756 248 E HN 0.289 nan 8.360 nan 0.000 0.491 249 T N -0.658 113.866 114.554 -0.050 0.000 3.072 249 T HA 0.024 4.424 4.350 0.084 0.000 0.266 249 T C 1.931 176.690 174.700 0.099 0.000 1.127 249 T CA 0.368 62.493 62.100 0.042 0.000 1.107 249 T CB -0.315 68.605 68.868 0.086 0.000 0.910 249 T HN 0.148 nan 8.240 nan 0.000 0.513 250 L N 0.005 121.291 121.223 0.105 0.000 2.131 250 L HA -0.084 4.306 4.340 0.084 0.000 0.210 250 L C 2.835 179.869 176.870 0.273 0.000 1.092 250 L CA 1.676 56.647 54.840 0.218 0.000 0.759 250 L CB -0.751 41.437 42.059 0.215 0.000 0.903 250 L HN 0.490 nan 8.230 nan 0.000 0.435 251 H N 0.082 119.196 119.070 0.074 0.000 2.270 251 H HA -0.205 4.402 4.556 0.084 0.000 0.299 251 H C 2.144 177.485 175.328 0.021 0.000 1.077 251 H CA 1.856 57.950 56.048 0.076 0.000 1.294 251 H CB 0.228 30.004 29.762 0.025 0.000 1.371 251 H HN 0.368 nan 8.280 nan 0.000 0.491 252 N N -0.199 118.322 118.700 -0.299 0.000 2.244 252 N HA -0.128 4.663 4.740 0.084 0.000 0.183 252 N C 1.963 177.344 175.510 -0.215 0.000 1.016 252 N CA 0.675 53.358 53.050 -0.612 0.000 0.866 252 N CB 0.275 37.898 38.487 -1.440 0.000 0.980 252 N HN 0.109 nan 8.380 nan 0.000 0.430 253 V N 1.569 121.544 119.914 0.102 0.000 2.332 253 V HA -0.258 3.913 4.120 0.084 0.000 0.248 253 V C 2.462 178.702 176.094 0.243 0.000 1.055 253 V CA 1.286 63.781 62.300 0.324 0.000 1.038 253 V CB -0.350 31.711 31.823 0.396 0.000 0.651 253 V HN 0.420 nan 8.190 nan 0.000 0.450 254 M N -1.681 118.090 119.600 0.285 0.000 2.108 254 M HA -0.203 4.327 4.480 0.084 0.000 0.261 254 M C 2.034 178.324 176.300 -0.016 0.000 1.066 254 M CA 1.794 57.257 55.300 0.271 0.000 1.107 254 M CB -1.229 31.539 32.600 0.279 0.000 1.356 254 M HN 0.491 nan 8.290 nan 0.000 0.406 255 W N 0.239 121.285 121.300 -0.423 0.000 2.388 255 W HA -0.028 4.683 4.660 0.086 0.000 0.294 255 W C 2.710 179.167 176.519 -0.103 0.000 1.212 255 W CA 1.588 58.659 57.345 -0.458 0.000 1.271 255 W CB -0.983 28.145 29.460 -0.554 0.000 1.126 255 W HN 0.271 nan 8.180 nan 0.000 0.535 256 A N -0.610 122.305 122.820 0.158 0.000 1.969 256 A HA -0.153 4.217 4.320 0.084 0.000 0.218 256 A C 1.935 179.576 177.584 0.094 0.000 1.169 256 A CA 1.489 53.620 52.037 0.157 0.000 0.635 256 A CB -0.528 18.598 19.000 0.210 0.000 0.810 256 A HN 0.082 nan 8.150 nan 0.000 0.445 257 M N 0.641 120.256 119.600 0.024 0.000 2.419 257 M HA 0.022 4.552 4.480 0.084 0.000 0.264 257 M C 1.472 177.818 176.300 0.077 0.000 1.082 257 M CA 0.811 56.062 55.300 -0.082 0.000 1.119 257 M CB -1.298 31.000 32.600 -0.503 0.000 1.398 257 M HN 0.541 nan 8.290 nan 0.000 0.453 258 S N 0.278 116.086 115.700 0.180 0.000 2.641 258 S HA 0.090 4.610 4.470 0.084 0.000 0.261 258 S C 0.719 175.459 174.600 0.233 0.000 1.257 258 S CA -0.437 57.912 58.200 0.249 0.000 0.983 258 S CB 0.887 64.279 63.200 0.319 0.000 0.990 258 S HN 0.177 nan 8.310 nan 0.000 0.572 259 D N 0.189 120.748 120.400 0.264 0.000 2.378 259 D HA 0.014 4.705 4.640 0.084 0.000 0.222 259 D C 1.834 178.290 176.300 0.259 0.000 0.980 259 D CA 0.365 54.540 54.000 0.292 0.000 0.907 259 D CB -0.154 40.884 40.800 0.398 0.000 0.899 259 D HN 0.364 nan 8.370 nan 0.000 0.527 260 R N 0.177 120.825 120.500 0.247 0.000 2.152 260 R HA -0.030 4.360 4.340 0.084 0.000 0.232 260 R C 2.050 178.515 176.300 0.275 0.000 1.117 260 R CA 0.909 57.178 56.100 0.280 0.000 0.981 260 R CB -0.811 29.722 30.300 0.389 0.000 0.870 260 R HN 0.179 nan 8.270 nan 0.000 0.451 261 G N 1.248 110.197 108.800 0.250 0.000 2.848 261 G HA2 -0.005 4.005 3.960 0.084 0.000 0.208 261 G HA3 -0.005 4.005 3.960 0.084 0.000 0.208 261 G C 0.969 176.020 174.900 0.251 0.000 1.152 261 G CA 0.051 45.291 45.100 0.233 0.000 0.789 261 G HN 0.409 nan 8.290 nan 0.000 0.531 262 I N -2.149 118.580 120.570 0.264 0.000 2.926 262 I HA 0.352 4.573 4.170 0.084 0.000 0.295 262 I C -2.849 173.431 176.117 0.272 0.000 1.463 262 I CA -2.615 58.850 61.300 0.275 0.000 0.892 262 I CB 1.714 39.882 38.000 0.280 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.054 nan 4.420 nan 0.000 0.269 263 P C 0.543 177.978 177.300 0.224 0.000 1.209 263 P CA -0.112 63.095 63.100 0.178 0.000 0.776 263 P CB 1.226 32.969 31.700 0.071 0.000 0.876 264 R N 1.981 122.595 120.500 0.190 0.000 2.092 264 R HA 0.019 4.409 4.340 0.084 0.000 0.231 264 R C 0.477 176.903 176.300 0.210 0.000 1.119 264 R CA 1.466 57.728 56.100 0.271 0.000 0.970 264 R CB -0.442 29.997 30.300 0.232 0.000 0.864 264 R HN 0.565 nan 8.270 nan 0.000 0.440 265 S N -2.976 112.640 115.700 -0.140 0.000 2.567 265 S HA 0.217 4.737 4.470 0.084 0.000 0.270 265 S C -0.389 173.869 174.600 -0.569 0.000 1.152 265 S CA -0.839 57.089 58.200 -0.454 0.000 0.835 265 S CB 0.045 63.142 63.200 -0.172 0.000 1.115 265 S HN 0.099 nan 8.310 nan 0.000 0.459 266 Y N 1.977 121.902 120.300 -0.625 0.000 2.421 266 Y HA 0.091 4.692 4.550 0.085 0.000 0.292 266 Y C 2.332 177.883 175.900 -0.582 0.000 1.136 266 Y CA 0.983 58.597 58.100 -0.811 0.000 1.255 266 Y CB -0.336 37.226 38.460 -1.496 0.000 0.991 266 Y HN 0.550 nan 8.280 nan 0.000 0.552 267 R N -0.567 119.796 120.500 -0.229 0.000 2.189 267 R HA -0.044 4.346 4.340 0.084 0.000 0.218 267 R C 1.194 177.442 176.300 -0.088 0.000 1.074 267 R CA 1.537 57.555 56.100 -0.137 0.000 0.991 267 R CB -0.409 29.810 30.300 -0.135 0.000 0.883 267 R HN 0.331 nan 8.270 nan 0.000 0.457 268 T N -1.885 112.633 114.554 -0.060 0.000 3.293 268 T HA 0.332 4.732 4.350 0.084 0.000 0.276 268 T C 0.278 175.010 174.700 0.052 0.000 1.003 268 T CA -0.648 61.447 62.100 -0.009 0.000 0.916 268 T CB -0.086 68.765 68.868 -0.028 0.000 1.134 268 T HN 0.065 nan 8.240 nan 0.000 0.530 269 M N -1.038 118.632 119.600 0.117 0.000 2.644 269 M HA 0.737 5.267 4.480 0.084 0.000 0.304 269 M C -0.955 175.515 176.300 0.282 0.000 1.215 269 M CA -0.939 54.473 55.300 0.187 0.000 0.871 269 M CB 2.054 34.765 32.600 0.185 0.000 1.740 269 M HN -0.167 nan 8.290 nan 0.000 0.464 270 E N 0.317 120.679 120.200 0.271 0.000 2.342 270 E HA 0.663 5.063 4.350 0.084 0.000 0.257 270 E C -0.281 176.383 176.600 0.107 0.000 1.150 270 E CA -0.523 55.973 56.400 0.159 0.000 0.926 270 E CB 1.522 31.229 29.700 0.012 0.000 1.074 270 E HN 0.863 nan 8.360 nan 0.000 0.449 271 G N 0.556 109.234 108.800 -0.202 0.000 2.571 271 G HA2 0.626 4.636 3.960 0.084 0.000 0.304 271 G HA3 0.626 4.636 3.960 0.084 0.000 0.304 271 G C -1.550 172.930 174.900 -0.701 0.000 1.314 271 G CA -0.455 44.493 45.100 -0.253 0.000 0.975 271 G HN 0.272 nan 8.290 nan 0.000 0.485 272 F N -0.219 119.665 119.950 -0.110 0.000 2.608 272 F HA 0.506 5.083 4.527 0.083 0.000 0.309 272 F C 1.005 176.709 175.800 -0.161 0.000 1.103 272 F CA -0.500 57.368 58.000 -0.220 0.000 0.954 272 F CB 2.602 41.426 39.000 -0.292 0.000 1.267 272 F HN 0.615 nan 8.300 nan 0.000 0.444 273 G N 0.960 109.815 108.800 0.092 0.000 2.777 273 G HA2 0.184 4.194 3.960 0.084 0.000 0.211 273 G HA3 0.184 4.194 3.960 0.084 0.000 0.211 273 G C 1.188 176.143 174.900 0.090 0.000 1.149 273 G CA 0.760 45.958 45.100 0.165 0.000 0.785 273 G HN 0.795 nan 8.290 nan 0.000 0.536 274 I N -0.958 119.596 120.570 -0.027 0.000 4.624 274 I HA -0.319 3.901 4.170 0.084 0.000 0.049 274 I C 0.513 176.516 176.117 -0.189 0.000 0.621 274 I CA 1.520 62.683 61.300 -0.228 0.000 0.836 274 I CB -1.179 36.575 38.000 -0.409 0.000 0.765 274 I HN 0.266 nan 8.210 nan 0.000 0.159 275 H N 2.213 121.317 119.070 0.056 0.000 2.690 275 H HA 0.225 4.833 4.556 0.086 0.000 0.365 275 H C 0.116 175.424 175.328 -0.034 0.000 1.142 275 H CA 0.452 56.457 56.048 -0.072 0.000 1.417 275 H CB 0.273 29.858 29.762 -0.296 0.000 1.446 275 H HN 0.188 nan 8.280 nan 0.000 0.599 276 T N 3.686 118.245 114.554 0.008 0.000 2.834 276 T HA 0.196 4.597 4.350 0.084 0.000 0.298 276 T C 0.170 174.839 174.700 -0.052 0.000 0.966 276 T CA 0.148 62.239 62.100 -0.014 0.000 1.141 276 T CB -0.200 68.609 68.868 -0.099 0.000 0.905 276 T HN 0.229 nan 8.240 nan 0.000 0.535 277 F N 1.391 121.324 119.950 -0.029 0.000 2.697 277 F HA 0.677 5.253 4.527 0.082 0.000 0.386 277 F C 0.944 176.713 175.800 -0.052 0.000 1.154 277 F CA -1.272 56.736 58.000 0.012 0.000 1.108 277 F CB 1.343 40.359 39.000 0.027 0.000 1.429 277 F HN 0.223 nan 8.300 nan 0.000 0.509 278 R N 0.341 120.914 120.500 0.122 0.000 2.807 278 R HA 0.683 5.073 4.340 0.084 0.000 0.276 278 R C -1.702 174.489 176.300 -0.180 0.000 0.979 278 R CA -0.880 55.149 56.100 -0.118 0.000 0.928 278 R CB 2.083 32.243 30.300 -0.232 0.000 1.191 278 R HN 0.425 nan 8.270 nan 0.000 0.471 279 L N 3.476 124.538 121.223 -0.269 0.000 2.329 279 L HA 0.551 4.941 4.340 0.084 0.000 0.279 279 L C -0.659 176.054 176.870 -0.261 0.000 1.014 279 L CA -0.937 53.752 54.840 -0.252 0.000 0.814 279 L CB 1.561 43.468 42.059 -0.253 0.000 1.257 279 L HN 0.385 nan 8.230 nan 0.000 0.424 280 I N 3.046 123.485 120.570 -0.220 0.000 2.418 280 I HA 0.268 4.489 4.170 0.084 0.000 0.287 280 I C -0.218 175.808 176.117 -0.151 0.000 1.008 280 I CA -0.671 60.502 61.300 -0.213 0.000 1.104 280 I CB 1.431 39.311 38.000 -0.199 0.000 1.264 280 I HN 0.623 nan 8.210 nan 0.000 0.438 281 N N 4.990 123.613 118.700 -0.129 0.000 2.476 281 N HA 0.387 5.177 4.740 0.084 0.000 0.287 281 N C 0.825 176.291 175.510 -0.073 0.000 1.262 281 N CA -0.378 52.618 53.050 -0.091 0.000 0.980 281 N CB 0.581 39.023 38.487 -0.075 0.000 1.163 281 N HN 0.509 nan 8.380 nan 0.000 0.592 282 A N -0.681 122.106 122.820 -0.055 0.000 2.015 282 A HA -0.091 4.279 4.320 0.084 0.000 0.219 282 A C 1.361 178.923 177.584 -0.037 0.000 1.163 282 A CA 1.184 53.194 52.037 -0.044 0.000 0.646 282 A CB -0.761 18.219 19.000 -0.033 0.000 0.806 282 A HN 0.787 nan 8.150 nan 0.000 0.448 283 E N -1.295 118.884 120.200 -0.035 0.000 2.481 283 E HA 0.312 4.713 4.350 0.084 0.000 0.195 283 E C 1.219 177.807 176.600 -0.019 0.000 1.047 283 E CA 0.652 57.037 56.400 -0.025 0.000 0.867 283 E CB -0.094 29.592 29.700 -0.023 0.000 0.858 283 E HN 0.703 nan 8.360 nan 0.000 0.513 284 G N 1.171 109.956 108.800 -0.026 0.000 2.175 284 G HA2 -0.352 3.658 3.960 0.084 0.000 0.244 284 G HA3 -0.352 3.658 3.960 0.084 0.000 0.244 284 G C 0.264 175.173 174.900 0.015 0.000 0.982 284 G CA 0.096 45.199 45.100 0.004 0.000 0.641 284 G HN 0.255 nan 8.290 nan 0.000 0.527 285 K N 1.020 121.392 120.400 -0.046 0.000 2.368 285 K HA 0.599 4.970 4.320 0.084 0.000 0.282 285 K C 0.564 177.020 176.600 -0.240 0.000 1.035 285 K CA 0.323 56.555 56.287 -0.093 0.000 0.973 285 K CB 0.422 32.873 32.500 -0.082 0.000 0.957 285 K HN 0.586 nan 8.250 nan 0.000 0.474 286 A N 3.463 126.031 122.820 -0.421 0.000 2.305 286 A HA 0.440 4.810 4.320 0.084 0.000 0.322 286 A C -0.785 176.477 177.584 -0.538 0.000 1.187 286 A CA -0.539 51.092 52.037 -0.675 0.000 0.825 286 A CB 1.284 19.420 19.000 -1.440 0.000 1.164 286 A HN 0.709 nan 8.150 nan 0.000 0.498 287 T N 2.323 116.597 114.554 -0.467 0.000 2.848 287 T HA 0.538 4.939 4.350 0.084 0.000 0.285 287 T C -0.589 173.883 174.700 -0.380 0.000 0.995 287 T CA -0.067 61.815 62.100 -0.364 0.000 0.970 287 T CB 0.409 69.158 68.868 -0.198 0.000 0.976 287 T HN 0.347 nan 8.240 nan 0.000 0.441 288 F N 1.967 121.825 119.950 -0.153 0.000 2.459 288 F HA 0.535 5.112 4.527 0.083 0.000 0.346 288 F C 0.619 176.301 175.800 -0.196 0.000 1.128 288 F CA -0.369 57.536 58.000 -0.158 0.000 1.268 288 F CB 0.608 39.535 39.000 -0.122 0.000 1.161 288 F HN 0.202 nan 8.300 nan 0.000 0.583 289 V N 3.889 123.767 119.914 -0.061 0.000 2.932 289 V HA 0.590 4.760 4.120 0.084 0.000 0.307 289 V C -1.084 174.799 176.094 -0.352 0.000 1.147 289 V CA -0.781 61.331 62.300 -0.314 0.000 0.951 289 V CB 2.143 33.545 31.823 -0.702 0.000 1.031 289 V HN 0.780 nan 8.190 nan 0.000 0.426 290 R N 4.699 125.033 120.500 -0.277 0.000 2.562 290 R HA 0.584 4.975 4.340 0.084 0.000 0.298 290 R C -1.672 174.540 176.300 -0.147 0.000 0.961 290 R CA -0.458 55.525 56.100 -0.195 0.000 0.881 290 R CB 2.109 32.411 30.300 0.003 0.000 1.159 290 R HN 0.586 nan 8.270 nan 0.000 0.450 291 F N 2.113 122.104 119.950 0.068 0.000 2.404 291 F HA 0.378 4.955 4.527 0.083 0.000 0.339 291 F C 0.912 176.655 175.800 -0.094 0.000 1.105 291 F CA -0.165 57.849 58.000 0.024 0.000 1.087 291 F CB 0.987 39.888 39.000 -0.165 0.000 1.143 291 F HN 0.213 nan 8.300 nan 0.000 0.491 292 H N 0.986 120.064 119.070 0.014 0.000 2.768 292 H HA 0.261 4.868 4.556 0.085 0.000 0.371 292 H C -1.531 173.599 175.328 -0.331 0.000 1.151 292 H CA -1.008 54.943 56.048 -0.162 0.000 1.165 292 H CB 2.011 31.768 29.762 -0.007 0.000 1.722 292 H HN 0.666 nan 8.280 nan 0.000 0.543 293 W N 2.170 123.362 121.300 -0.180 0.000 2.532 293 W HA 0.323 5.033 4.660 0.083 0.000 0.321 293 W C -0.084 176.465 176.519 0.050 0.000 1.037 293 W CA -0.758 56.543 57.345 -0.073 0.000 1.220 293 W CB 1.812 31.069 29.460 -0.339 0.000 1.361 293 W HN 0.254 nan 8.180 nan 0.000 0.468 294 K N 5.655 126.326 120.400 0.452 0.000 2.213 294 K HA 0.376 4.747 4.320 0.084 0.000 0.270 294 K C -2.413 174.409 176.600 0.370 0.000 1.002 294 K CA -1.881 54.607 56.287 0.335 0.000 0.868 294 K CB 1.500 34.147 32.500 0.246 0.000 1.093 294 K HN 0.056 nan 8.250 nan 0.000 0.454 295 P HA 0.068 nan 4.420 nan 0.000 0.282 295 P C 0.333 177.631 177.300 -0.003 0.000 1.274 295 P CA -0.122 63.022 63.100 0.073 0.000 0.770 295 P CB 0.774 32.541 31.700 0.112 0.000 0.867 296 L N 2.761 123.927 121.223 -0.095 0.000 2.551 296 L HA -0.036 4.354 4.340 0.084 0.000 0.228 296 L C 2.194 179.040 176.870 -0.040 0.000 1.153 296 L CA 0.857 55.681 54.840 -0.026 0.000 0.851 296 L CB -0.507 41.547 42.059 -0.008 0.000 0.959 296 L HN 0.355 nan 8.230 nan 0.000 0.451 297 A N -0.057 122.712 122.820 -0.084 0.000 2.208 297 A HA 0.419 4.790 4.320 0.084 0.000 0.209 297 A C 1.217 178.795 177.584 -0.010 0.000 1.161 297 A CA 0.698 52.704 52.037 -0.052 0.000 0.782 297 A CB -0.200 18.755 19.000 -0.076 0.000 0.816 297 A HN 0.438 nan 8.150 nan 0.000 0.477 298 G N -0.747 108.059 108.800 0.010 0.000 2.662 298 G HA2 -0.075 3.936 3.960 0.084 0.000 0.686 298 G HA3 -0.075 3.936 3.960 0.084 0.000 0.686 298 G C -0.752 174.173 174.900 0.041 0.000 1.271 298 G CA -0.573 44.553 45.100 0.043 0.000 0.816 298 G HN 0.402 nan 8.290 nan 0.000 0.608 299 K N 0.169 120.600 120.400 0.052 0.000 2.201 299 K HA 0.705 5.075 4.320 0.084 0.000 0.278 299 K C 0.263 176.849 176.600 -0.024 0.000 1.027 299 K CA 0.298 56.599 56.287 0.024 0.000 0.909 299 K CB 1.651 34.159 32.500 0.013 0.000 1.062 299 K HN 1.465 nan 8.250 nan 0.000 0.465 300 A N 1.812 124.605 122.820 -0.045 0.000 2.540 300 A HA 0.558 4.928 4.320 0.084 0.000 0.297 300 A C -1.139 176.472 177.584 0.045 0.000 1.056 300 A CA -0.684 51.274 52.037 -0.131 0.000 0.700 300 A CB 1.693 20.415 19.000 -0.463 0.000 1.280 300 A HN 0.509 nan 8.150 nan 0.000 0.398 301 S N 0.664 116.547 115.700 0.306 0.000 2.634 301 S HA 0.755 5.276 4.470 0.084 0.000 0.296 301 S C 0.060 174.988 174.600 0.547 0.000 1.104 301 S CA -0.611 57.822 58.200 0.388 0.000 0.920 301 S CB 1.194 64.615 63.200 0.368 0.000 1.111 301 S HN 0.648 nan 8.310 nan 0.000 0.493 302 L N 1.243 122.681 121.223 0.359 0.000 2.540 302 L HA 0.498 4.888 4.340 0.084 0.000 0.215 302 L C 0.034 177.043 176.870 0.232 0.000 1.204 302 L CA -0.719 54.263 54.840 0.236 0.000 0.841 302 L CB 0.062 42.176 42.059 0.092 0.000 1.420 302 L HN 0.479 nan 8.230 nan 0.000 0.519 303 V N -3.278 116.670 119.914 0.056 0.000 2.769 303 V HA 0.163 4.334 4.120 0.084 0.000 0.312 303 V C 0.695 176.760 176.094 -0.048 0.000 1.058 303 V CA -0.843 61.461 62.300 0.006 0.000 0.952 303 V CB 1.546 33.341 31.823 -0.045 0.000 1.019 303 V HN 0.917 nan 8.190 nan 0.000 0.445 304 W N 2.153 123.342 121.300 -0.185 0.000 2.302 304 W HA -0.267 4.443 4.660 0.084 0.000 0.320 304 W C 1.778 178.160 176.519 -0.228 0.000 1.241 304 W CA 2.709 59.935 57.345 -0.198 0.000 1.264 304 W CB -0.099 29.229 29.460 -0.220 0.000 1.154 304 W HN 1.006 nan 8.180 nan 0.000 0.483 305 D N 0.050 120.180 120.400 -0.450 0.000 2.149 305 D HA -0.274 4.417 4.640 0.084 0.000 0.198 305 D C 2.155 178.113 176.300 -0.570 0.000 0.990 305 D CA 2.074 55.781 54.000 -0.488 0.000 0.839 305 D CB -0.468 40.295 40.800 -0.063 0.000 0.948 305 D HN 0.352 nan 8.370 nan 0.000 0.460 306 E N -0.477 119.268 120.200 -0.759 0.000 2.047 306 E HA -0.189 4.212 4.350 0.084 0.000 0.191 306 E C 2.031 178.293 176.600 -0.564 0.000 0.987 306 E CA 0.973 56.852 56.400 -0.868 0.000 0.799 306 E CB -0.193 28.919 29.700 -0.979 0.000 0.752 306 E HN 0.310 nan 8.360 nan 0.000 0.449 307 A N 1.149 123.671 122.820 -0.496 0.000 1.883 307 A HA -0.275 4.095 4.320 0.084 0.000 0.217 307 A C 2.164 179.431 177.584 -0.528 0.000 1.186 307 A CA 1.890 53.684 52.037 -0.405 0.000 0.624 307 A CB -0.736 18.134 19.000 -0.216 0.000 0.822 307 A HN 0.423 nan 8.150 nan 0.000 0.444 308 Q N -0.636 118.632 119.800 -0.887 0.000 2.084 308 Q HA -0.183 4.207 4.340 0.084 0.000 0.202 308 Q C 2.189 177.915 176.000 -0.457 0.000 0.978 308 Q CA 1.792 57.102 55.803 -0.821 0.000 0.844 308 Q CB -0.138 27.880 28.738 -1.201 0.000 0.898 308 Q HN 0.653 nan 8.270 nan 0.000 0.426 309 K N -0.034 120.115 120.400 -0.417 0.000 2.097 309 K HA -0.151 4.219 4.320 0.084 0.000 0.206 309 K C 2.005 178.460 176.600 -0.242 0.000 1.049 309 K CA 0.732 56.865 56.287 -0.257 0.000 0.933 309 K CB -0.032 32.357 32.500 -0.186 0.000 0.717 309 K HN 0.176 nan 8.250 nan 0.000 0.442 310 L N 1.277 122.316 121.223 -0.307 0.000 2.201 310 L HA -0.126 4.265 4.340 0.084 0.000 0.212 310 L C 2.235 178.969 176.870 -0.226 0.000 1.105 310 L CA 2.013 56.669 54.840 -0.306 0.000 0.775 310 L CB -0.909 40.885 42.059 -0.442 0.000 0.913 310 L HN 0.307 nan 8.230 nan 0.000 0.440 311 T N -4.426 110.002 114.554 -0.211 0.000 2.881 311 T HA -0.076 4.324 4.350 0.084 0.000 0.270 311 T C 1.878 176.515 174.700 -0.105 0.000 1.068 311 T CA 0.991 63.009 62.100 -0.137 0.000 1.131 311 T CB -0.947 67.854 68.868 -0.112 0.000 0.871 311 T HN 0.359 nan 8.240 nan 0.000 0.479 312 G N 1.156 109.887 108.800 -0.116 0.000 2.411 312 G HA2 -0.022 3.988 3.960 0.084 0.000 0.213 312 G HA3 -0.022 3.988 3.960 0.084 0.000 0.213 312 G C 1.916 176.771 174.900 -0.076 0.000 1.166 312 G CA -0.202 44.846 45.100 -0.086 0.000 0.802 312 G HN 0.296 nan 8.290 nan 0.000 0.533 313 R N 0.327 120.771 120.500 -0.093 0.000 2.073 313 R HA 0.040 4.431 4.340 0.084 0.000 0.229 313 R C -0.080 176.188 176.300 -0.053 0.000 1.120 313 R CA 0.854 56.910 56.100 -0.072 0.000 0.967 313 R CB -0.354 29.891 30.300 -0.091 0.000 0.862 313 R HN 0.347 nan 8.270 nan 0.000 0.436 314 D N -0.192 120.169 120.400 -0.065 0.000 2.381 314 D HA 0.149 4.840 4.640 0.084 0.000 0.245 314 D C -2.065 174.232 176.300 -0.007 0.000 1.297 314 D CA -1.896 52.098 54.000 -0.009 0.000 0.931 314 D CB 1.436 42.272 40.800 0.059 0.000 1.334 314 D HN -0.112 nan 8.370 nan 0.000 0.535 315 P HA 0.004 nan 4.420 nan 0.000 0.230 315 P C -0.060 177.246 177.300 0.010 0.000 1.158 315 P CA 0.574 63.663 63.100 -0.018 0.000 0.769 315 P CB 0.541 32.227 31.700 -0.023 0.000 0.807 316 D N -1.326 119.091 120.400 0.029 0.000 2.463 316 D HA 0.060 4.751 4.640 0.084 0.000 0.224 316 D C 1.166 177.507 176.300 0.068 0.000 1.174 316 D CA -0.467 53.557 54.000 0.040 0.000 0.829 316 D CB -0.465 40.337 40.800 0.003 0.000 0.993 316 D HN 0.047 nan 8.370 nan 0.000 0.497 317 F N 1.674 121.568 119.950 -0.094 0.000 2.091 317 F HA -0.233 4.345 4.527 0.084 0.000 0.299 317 F C 2.038 177.813 175.800 -0.043 0.000 1.103 317 F CA 1.915 59.854 58.000 -0.102 0.000 1.228 317 F CB -0.174 38.714 39.000 -0.188 0.000 0.984 317 F HN 0.131 nan 8.300 nan 0.000 0.477 318 H N -1.357 117.621 119.070 -0.153 0.000 2.389 318 H HA -0.078 4.528 4.556 0.084 0.000 0.299 318 H C 2.407 177.637 175.328 -0.162 0.000 1.081 318 H CA 0.923 56.742 56.048 -0.381 0.000 1.345 318 H CB -0.116 29.245 29.762 -0.668 0.000 1.393 318 H HN 0.173 nan 8.280 nan 0.000 0.520 319 R N 1.132 121.724 120.500 0.154 0.000 2.081 319 R HA -0.118 4.272 4.340 0.084 0.000 0.235 319 R C 2.456 178.858 176.300 0.170 0.000 1.131 319 R CA 1.227 57.469 56.100 0.238 0.000 0.960 319 R CB 0.017 30.439 30.300 0.202 0.000 0.856 319 R HN 0.204 nan 8.270 nan 0.000 0.436 320 R N 0.252 120.775 120.500 0.039 0.000 2.062 320 R HA -0.118 4.273 4.340 0.084 0.000 0.229 320 R C 2.050 178.350 176.300 -0.000 0.000 1.128 320 R CA 1.399 57.508 56.100 0.015 0.000 0.960 320 R CB -0.202 30.075 30.300 -0.038 0.000 0.855 320 R HN 0.186 nan 8.270 nan 0.000 0.432 321 E N 0.897 120.982 120.200 -0.193 0.000 2.085 321 E HA -0.219 4.182 4.350 0.084 0.000 0.194 321 E C 1.973 178.539 176.600 -0.056 0.000 0.994 321 E CA 1.235 57.495 56.400 -0.234 0.000 0.801 321 E CB -0.129 29.253 29.700 -0.531 0.000 0.743 321 E HN 0.281 nan 8.360 nan 0.000 0.453 322 L N 0.385 121.623 121.223 0.025 0.000 2.027 322 L HA -0.116 4.275 4.340 0.084 0.000 0.206 322 L C 2.256 179.225 176.870 0.166 0.000 1.074 322 L CA 1.728 56.628 54.840 0.101 0.000 0.745 322 L CB -0.825 41.350 42.059 0.195 0.000 0.898 322 L HN 0.265 nan 8.230 nan 0.000 0.433 323 W N 1.015 122.348 121.300 0.054 0.000 2.358 323 W HA -0.199 4.511 4.660 0.083 0.000 0.303 323 W C 2.164 178.713 176.519 0.049 0.000 1.208 323 W CA 2.157 59.546 57.345 0.074 0.000 1.274 323 W CB -0.096 29.412 29.460 0.080 0.000 1.138 323 W HN 0.359 nan 8.180 nan 0.000 0.515 324 E N -0.065 120.308 120.200 0.289 0.000 2.152 324 E HA -0.108 4.292 4.350 0.084 0.000 0.192 324 E C 2.341 178.977 176.600 0.060 0.000 0.983 324 E CA 0.916 57.411 56.400 0.158 0.000 0.818 324 E CB -0.317 29.428 29.700 0.075 0.000 0.758 324 E HN 0.170 nan 8.360 nan 0.000 0.467 325 A N 1.505 124.356 122.820 0.053 0.000 1.877 325 A HA -0.184 4.187 4.320 0.084 0.000 0.216 325 A C 2.178 179.799 177.584 0.062 0.000 1.186 325 A CA 1.105 53.169 52.037 0.045 0.000 0.620 325 A CB -0.570 18.454 19.000 0.040 0.000 0.822 325 A HN 0.130 nan 8.150 nan 0.000 0.443 326 I N -0.453 120.173 120.570 0.094 0.000 2.226 326 I HA -0.239 3.981 4.170 0.084 0.000 0.245 326 I C 2.436 178.638 176.117 0.141 0.000 1.100 326 I CA 1.467 62.876 61.300 0.182 0.000 1.374 326 I CB -0.477 37.553 38.000 0.050 0.000 1.057 326 I HN 0.433 nan 8.210 nan 0.000 0.413 327 E N 0.883 121.112 120.200 0.048 0.000 2.204 327 E HA -0.186 4.215 4.350 0.084 0.000 0.195 327 E C 2.134 178.761 176.600 0.046 0.000 0.990 327 E CA 1.209 57.648 56.400 0.064 0.000 0.821 327 E CB -0.096 29.669 29.700 0.108 0.000 0.750 327 E HN 0.507 nan 8.360 nan 0.000 0.477 328 A N 0.104 122.929 122.820 0.009 0.000 2.169 328 A HA 0.211 4.582 4.320 0.084 0.000 0.212 328 A C 1.781 179.321 177.584 -0.072 0.000 1.153 328 A CA 0.948 52.973 52.037 -0.020 0.000 0.756 328 A CB -0.084 18.892 19.000 -0.040 0.000 0.813 328 A HN 0.337 nan 8.150 nan 0.000 0.471 329 G N -0.572 108.111 108.800 -0.195 0.000 2.157 329 G HA2 -0.188 3.822 3.960 0.084 0.000 0.239 329 G HA3 -0.188 3.822 3.960 0.084 0.000 0.239 329 G C -0.180 174.243 174.900 -0.795 0.000 0.982 329 G CA 0.233 44.938 45.100 -0.659 0.000 0.650 329 G HN 0.425 nan 8.290 nan 0.000 0.527 330 D N 1.252 121.440 120.400 -0.354 0.000 2.994 330 D HA 0.316 5.006 4.640 0.084 0.000 0.240 330 D C 0.573 176.820 176.300 -0.089 0.000 1.195 330 D CA -0.280 53.607 54.000 -0.188 0.000 0.957 330 D CB -0.493 40.299 40.800 -0.014 0.000 1.105 330 D HN 0.204 nan 8.370 nan 0.000 0.477 331 F N 1.205 121.157 119.950 0.005 0.000 2.602 331 F HA 0.121 4.699 4.527 0.085 0.000 0.385 331 F C -1.489 174.283 175.800 -0.047 0.000 1.063 331 F CA -2.411 55.583 58.000 -0.010 0.000 1.233 331 F CB -0.615 38.388 39.000 0.005 0.000 1.067 331 F HN -0.056 nan 8.300 nan 0.000 0.564 332 P HA 0.038 nan 4.420 nan 0.000 0.263 332 P C -0.892 176.353 177.300 -0.091 0.000 1.195 332 P CA 0.331 63.416 63.100 -0.025 0.000 0.762 332 P CB 0.365 32.125 31.700 0.100 0.000 0.799 333 E N 2.505 122.517 120.200 -0.314 0.000 2.222 333 E HA 0.460 4.861 4.350 0.084 0.000 0.267 333 E C -1.060 175.234 176.600 -0.510 0.000 0.884 333 E CA -0.589 55.674 56.400 -0.228 0.000 0.764 333 E CB 1.449 31.112 29.700 -0.062 0.000 1.169 333 E HN 0.376 nan 8.360 nan 0.000 0.413 334 Y N 0.334 120.699 120.300 0.110 0.000 2.477 334 Y HA 0.255 4.857 4.550 0.085 0.000 0.347 334 Y C -0.209 175.917 175.900 0.377 0.000 0.981 334 Y CA -1.022 57.214 58.100 0.226 0.000 1.033 334 Y CB 1.968 40.533 38.460 0.175 0.000 1.245 334 Y HN 0.481 nan 8.280 nan 0.000 0.455 335 E N 2.674 123.200 120.200 0.543 0.000 2.174 335 E HA 0.398 4.798 4.350 0.084 0.000 0.282 335 E C -1.409 175.495 176.600 0.507 0.000 0.992 335 E CA -0.879 55.800 56.400 0.465 0.000 0.803 335 E CB 0.940 30.849 29.700 0.350 0.000 1.090 335 E HN 0.591 nan 8.360 nan 0.000 0.396 336 L N 4.184 125.638 121.223 0.385 0.000 2.397 336 L HA 0.548 4.938 4.340 0.084 0.000 0.271 336 L C -0.058 176.773 176.870 -0.065 0.000 1.148 336 L CA 0.578 55.375 54.840 -0.072 0.000 0.825 336 L CB 1.150 43.100 42.059 -0.182 0.000 1.117 336 L HN 0.580 nan 8.230 nan 0.000 0.456 337 G N 3.524 112.289 108.800 -0.057 0.000 2.706 337 G HA2 0.582 4.592 3.960 0.084 0.000 0.297 337 G HA3 0.582 4.592 3.960 0.084 0.000 0.297 337 G C -1.803 173.236 174.900 0.233 0.000 1.403 337 G CA -0.407 44.691 45.100 -0.004 0.000 0.954 337 G HN 0.268 nan 8.290 nan 0.000 0.500 338 F N 0.347 120.313 119.950 0.027 0.000 2.482 338 F HA 0.500 5.078 4.527 0.085 0.000 0.331 338 F C 0.446 176.235 175.800 -0.019 0.000 1.115 338 F CA -1.419 56.590 58.000 0.016 0.000 0.955 338 F CB 2.347 41.340 39.000 -0.010 0.000 1.136 338 F HN 0.283 nan 8.300 nan 0.000 0.452 339 Q N 3.759 123.671 119.800 0.186 0.000 2.296 339 Q HA 0.547 4.938 4.340 0.084 0.000 0.257 339 Q C -1.076 174.961 176.000 0.061 0.000 0.942 339 Q CA -0.356 55.504 55.803 0.095 0.000 0.939 339 Q CB 1.768 30.576 28.738 0.117 0.000 1.198 339 Q HN 0.528 nan 8.270 nan 0.000 0.429 340 L N 4.621 125.887 121.223 0.072 0.000 2.333 340 L HA 0.591 4.982 4.340 0.084 0.000 0.280 340 L C -0.549 176.371 176.870 0.084 0.000 1.004 340 L CA -0.550 54.322 54.840 0.054 0.000 0.820 340 L CB 1.278 43.376 42.059 0.065 0.000 1.247 340 L HN 0.500 nan 8.230 nan 0.000 0.416 341 I N 4.265 124.902 120.570 0.111 0.000 2.447 341 I HA 0.356 4.577 4.170 0.084 0.000 0.287 341 I C -2.299 173.933 176.117 0.192 0.000 1.023 341 I CA -2.117 59.292 61.300 0.182 0.000 1.083 341 I CB 2.371 40.500 38.000 0.215 0.000 1.245 341 I HN 0.270 nan 8.210 nan 0.000 0.434 342 P HA -0.008 nan 4.420 nan 0.000 0.267 342 P C 0.657 178.036 177.300 0.133 0.000 1.200 342 P CA 0.058 63.201 63.100 0.072 0.000 0.772 342 P CB 0.839 32.574 31.700 0.059 0.000 0.855 343 E N 1.978 122.174 120.200 -0.006 0.000 2.118 343 E HA -0.285 4.116 4.350 0.084 0.000 0.195 343 E C 1.528 178.234 176.600 0.176 0.000 0.992 343 E CA 1.190 57.601 56.400 0.019 0.000 0.804 343 E CB -0.110 29.497 29.700 -0.155 0.000 0.741 343 E HN 0.540 nan 8.360 nan 0.000 0.458 344 E N -0.174 120.094 120.200 0.113 0.000 2.331 344 E HA -0.189 4.212 4.350 0.084 0.000 0.199 344 E C 0.413 177.086 176.600 0.121 0.000 1.008 344 E CA 1.185 57.653 56.400 0.113 0.000 0.843 344 E CB 0.120 29.861 29.700 0.069 0.000 0.761 344 E HN 0.250 nan 8.360 nan 0.000 0.507 345 D N -0.126 120.353 120.400 0.132 0.000 2.388 345 D HA -0.015 4.676 4.640 0.084 0.000 0.221 345 D C 0.999 177.359 176.300 0.101 0.000 1.133 345 D CA -0.001 54.055 54.000 0.093 0.000 0.831 345 D CB 0.160 41.025 40.800 0.108 0.000 0.962 345 D HN 0.308 nan 8.370 nan 0.000 0.502 346 E N -0.169 120.062 120.200 0.052 0.000 2.097 346 E HA -0.206 4.195 4.350 0.084 0.000 0.196 346 E C 0.405 176.759 176.600 -0.410 0.000 1.000 346 E CA 1.206 57.425 56.400 -0.301 0.000 0.804 346 E CB 0.038 29.413 29.700 -0.542 0.000 0.740 346 E HN 0.207 nan 8.360 nan 0.000 0.454 347 F N -0.235 119.719 119.950 0.006 0.000 2.647 347 F HA 0.291 4.869 4.527 0.084 0.000 0.300 347 F C 1.128 176.865 175.800 -0.106 0.000 1.106 347 F CA -0.157 57.823 58.000 -0.034 0.000 1.313 347 F CB 0.598 39.586 39.000 -0.020 0.000 1.007 347 F HN -0.160 nan 8.300 nan 0.000 0.536 348 K N -0.097 120.247 120.400 -0.093 0.000 2.444 348 K HA 0.125 4.496 4.320 0.084 0.000 0.193 348 K C -0.209 176.003 176.600 -0.645 0.000 1.024 348 K CA 0.319 56.385 56.287 -0.369 0.000 1.077 348 K CB 0.141 32.357 32.500 -0.474 0.000 0.833 348 K HN 0.129 nan 8.250 nan 0.000 0.517 349 F N 0.713 120.511 119.950 -0.253 0.000 2.457 349 F HA 0.081 4.659 4.527 0.084 0.000 0.330 349 F C 1.270 176.880 175.800 -0.316 0.000 1.069 349 F CA -1.251 56.499 58.000 -0.416 0.000 1.009 349 F CB 0.636 39.005 39.000 -1.051 0.000 1.276 349 F HN -0.029 nan 8.300 nan 0.000 0.492 350 D N -0.404 120.004 120.400 0.013 0.000 2.319 350 D HA 0.038 4.729 4.640 0.084 0.000 0.230 350 D C -0.442 175.959 176.300 0.170 0.000 1.094 350 D CA 0.158 54.221 54.000 0.104 0.000 0.856 350 D CB -0.859 40.026 40.800 0.141 0.000 0.915 350 D HN 0.232 nan 8.370 nan 0.000 0.517 351 F N -1.717 118.313 119.950 0.133 0.000 2.593 351 F HA 0.517 5.094 4.527 0.083 0.000 0.320 351 F C -0.282 175.507 175.800 -0.018 0.000 1.060 351 F CA -1.744 56.254 58.000 -0.003 0.000 0.940 351 F CB 0.910 39.865 39.000 -0.074 0.000 1.268 351 F HN -0.332 nan 8.300 nan 0.000 0.475 352 D N 1.921 122.333 120.400 0.020 0.000 2.308 352 D HA 0.178 4.869 4.640 0.084 0.000 0.251 352 D C 0.975 177.219 176.300 -0.094 0.000 1.127 352 D CA 0.018 53.981 54.000 -0.063 0.000 0.876 352 D CB 1.448 42.219 40.800 -0.048 0.000 1.176 352 D HN 0.767 nan 8.370 nan 0.000 0.446 353 L N 3.527 124.625 121.223 -0.208 0.000 2.275 353 L HA -0.114 4.277 4.340 0.084 0.000 0.215 353 L C 1.963 178.714 176.870 -0.199 0.000 1.119 353 L CA 0.615 55.318 54.840 -0.228 0.000 0.790 353 L CB -0.040 41.741 42.059 -0.463 0.000 0.919 353 L HN 0.444 nan 8.230 nan 0.000 0.443 354 L N -1.111 120.021 121.223 -0.152 0.000 2.591 354 L HA 0.072 4.462 4.340 0.084 0.000 0.228 354 L C 0.421 177.264 176.870 -0.046 0.000 1.133 354 L CA -0.128 54.693 54.840 -0.032 0.000 0.880 354 L CB -0.264 41.858 42.059 0.106 0.000 1.033 354 L HN 0.087 nan 8.230 nan 0.000 0.450 355 D N 1.991 122.137 120.400 -0.423 0.000 2.339 355 D HA 0.111 4.802 4.640 0.084 0.000 0.241 355 D C -1.518 174.587 176.300 -0.325 0.000 1.183 355 D CA -2.255 51.264 54.000 -0.802 0.000 0.859 355 D CB 1.627 41.647 40.800 -1.299 0.000 1.067 355 D HN -0.068 nan 8.370 nan 0.000 0.484 356 P HA -0.053 nan 4.420 nan 0.000 0.242 356 P C 0.787 178.004 177.300 -0.138 0.000 1.197 356 P CA 0.625 63.673 63.100 -0.086 0.000 0.765 356 P CB 0.002 31.740 31.700 0.064 0.000 0.936 357 T N -4.430 110.030 114.554 -0.158 0.000 3.107 357 T HA 0.166 4.566 4.350 0.084 0.000 0.249 357 T C 0.720 175.346 174.700 -0.123 0.000 1.096 357 T CA -0.116 61.903 62.100 -0.136 0.000 1.012 357 T CB -0.152 68.679 68.868 -0.062 0.000 0.977 357 T HN -0.129 nan 8.240 nan 0.000 0.527 358 K N 2.044 122.285 120.400 -0.265 0.000 2.270 358 K HA 0.582 4.953 4.320 0.084 0.000 0.255 358 K C -0.398 176.048 176.600 -0.256 0.000 0.936 358 K CA -0.867 55.159 56.287 -0.435 0.000 0.809 358 K CB 2.275 34.394 32.500 -0.635 0.000 1.131 358 K HN 0.290 nan 8.250 nan 0.000 0.427 359 L N -0.335 120.864 121.223 -0.041 0.000 2.358 359 L HA 0.663 5.053 4.340 0.084 0.000 0.268 359 L C -0.057 176.638 176.870 -0.291 0.000 1.032 359 L CA -0.504 54.254 54.840 -0.137 0.000 0.805 359 L CB 0.341 42.383 42.059 -0.029 0.000 1.253 359 L HN 0.445 nan 8.230 nan 0.000 0.452 360 I N 1.318 121.804 120.570 -0.140 0.000 2.307 360 I HA 0.377 4.598 4.170 0.084 0.000 0.289 360 I C -2.135 173.998 176.117 0.028 0.000 1.021 360 I CA -1.732 59.532 61.300 -0.060 0.000 1.224 360 I CB 1.064 39.063 38.000 -0.001 0.000 1.376 360 I HN 0.439 nan 8.210 nan 0.000 0.470 361 P HA 0.028 nan 4.420 nan 0.000 0.264 361 P C 0.380 177.745 177.300 0.108 0.000 1.193 361 P CA 0.091 63.234 63.100 0.072 0.000 0.763 361 P CB 0.605 32.339 31.700 0.057 0.000 0.810 362 E N 1.902 122.172 120.200 0.118 0.000 2.204 362 E HA -0.199 4.202 4.350 0.084 0.000 0.195 362 E C 1.340 177.992 176.600 0.087 0.000 0.990 362 E CA 0.826 57.284 56.400 0.097 0.000 0.821 362 E CB 0.013 29.772 29.700 0.098 0.000 0.750 362 E HN 0.518 nan 8.360 nan 0.000 0.477 363 E N 0.374 120.627 120.200 0.088 0.000 2.204 363 E HA -0.137 4.263 4.350 0.084 0.000 0.195 363 E C 2.062 178.725 176.600 0.106 0.000 0.990 363 E CA 0.701 57.150 56.400 0.082 0.000 0.821 363 E CB 0.072 29.813 29.700 0.068 0.000 0.750 363 E HN 0.371 nan 8.360 nan 0.000 0.477 364 L N -0.380 120.929 121.223 0.143 0.000 2.145 364 L HA 0.043 4.434 4.340 0.084 0.000 0.201 364 L C 0.694 177.684 176.870 0.200 0.000 1.075 364 L CA 0.470 55.433 54.840 0.206 0.000 0.773 364 L CB 0.377 42.633 42.059 0.327 0.000 0.936 364 L HN -0.201 nan 8.230 nan 0.000 0.451 365 V N 1.491 121.499 119.914 0.158 0.000 2.398 365 V HA 0.316 4.486 4.120 0.084 0.000 0.282 365 V C -2.337 173.804 176.094 0.078 0.000 1.014 365 V CA -1.493 60.882 62.300 0.126 0.000 0.838 365 V CB 1.418 33.304 31.823 0.106 0.000 1.018 365 V HN -0.029 nan 8.190 nan 0.000 0.432 366 P HA 0.172 nan 4.420 nan 0.000 0.272 366 P C -0.321 176.977 177.300 -0.003 0.000 1.230 366 P CA -0.050 63.070 63.100 0.032 0.000 0.788 366 P CB 1.156 32.879 31.700 0.038 0.000 0.949 367 V N 3.024 122.904 119.914 -0.057 0.000 2.408 367 V HA 0.093 4.263 4.120 0.084 0.000 0.267 367 V C 0.896 176.975 176.094 -0.024 0.000 1.047 367 V CA -0.022 62.205 62.300 -0.121 0.000 0.937 367 V CB 0.139 31.797 31.823 -0.277 0.000 0.999 367 V HN 0.539 nan 8.190 nan 0.000 0.472 368 Q N 4.604 124.415 119.800 0.018 0.000 2.286 368 Q HA 0.313 4.703 4.340 0.084 0.000 0.257 368 Q C -0.176 175.826 176.000 0.003 0.000 0.941 368 Q CA -0.759 55.059 55.803 0.025 0.000 0.912 368 Q CB 0.677 29.443 28.738 0.047 0.000 1.192 368 Q HN 0.611 nan 8.270 nan 0.000 0.410 369 R N 2.189 122.714 120.500 0.043 0.000 2.537 369 R HA 0.096 4.487 4.340 0.084 0.000 0.280 369 R C 0.335 176.691 176.300 0.093 0.000 1.058 369 R CA 0.072 56.244 56.100 0.120 0.000 1.057 369 R CB 0.877 31.297 30.300 0.201 0.000 0.973 369 R HN 0.541 nan 8.270 nan 0.000 0.438 370 V N 0.324 120.221 119.914 -0.028 0.000 3.250 370 V HA 0.451 4.622 4.120 0.084 0.000 0.240 370 V C 0.643 176.518 176.094 -0.365 0.000 1.275 370 V CA 1.120 63.279 62.300 -0.235 0.000 1.206 370 V CB 0.973 32.375 31.823 -0.701 0.000 0.976 370 V HN 0.918 nan 8.190 nan 0.000 0.467 371 G N -0.295 108.185 108.800 -0.532 0.000 2.495 371 G HA2 0.500 4.511 3.960 0.084 0.000 0.294 371 G HA3 0.500 4.511 3.960 0.084 0.000 0.294 371 G C -1.877 172.700 174.900 -0.538 0.000 1.397 371 G CA -0.528 43.975 45.100 -0.995 0.000 0.790 371 G HN 0.034 nan 8.290 nan 0.000 0.486 372 K N -0.443 119.650 120.400 -0.511 0.000 2.316 372 K HA 0.747 5.117 4.320 0.084 0.000 0.251 372 K C -0.905 175.741 176.600 0.076 0.000 0.934 372 K CA -0.816 55.458 56.287 -0.023 0.000 0.802 372 K CB 2.049 34.573 32.500 0.040 0.000 1.171 372 K HN 0.574 nan 8.250 nan 0.000 0.426 373 M N 4.589 124.354 119.600 0.275 0.000 2.253 373 M HA 0.390 4.920 4.480 0.084 0.000 0.314 373 M C -1.819 174.476 176.300 -0.009 0.000 1.019 373 M CA -0.759 54.656 55.300 0.192 0.000 0.932 373 M CB 1.708 34.462 32.600 0.257 0.000 1.606 373 M HN 0.338 nan 8.290 nan 0.000 0.430 374 V N 5.694 125.439 119.914 -0.282 0.000 2.487 374 V HA 0.464 4.635 4.120 0.084 0.000 0.298 374 V C -0.931 175.027 176.094 -0.226 0.000 1.028 374 V CA -0.819 61.321 62.300 -0.267 0.000 0.860 374 V CB 1.740 33.262 31.823 -0.502 0.000 0.991 374 V HN 0.675 nan 8.190 nan 0.000 0.427 375 L N 5.808 126.987 121.223 -0.073 0.000 2.255 375 L HA 0.488 4.878 4.340 0.084 0.000 0.289 375 L C 0.680 177.443 176.870 -0.179 0.000 1.046 375 L CA 0.141 54.933 54.840 -0.081 0.000 0.816 375 L CB 0.995 43.058 42.059 0.007 0.000 1.197 375 L HN 0.865 nan 8.230 nan 0.000 0.427 376 N N 2.367 120.869 118.700 -0.331 0.000 2.241 376 N HA 0.165 4.956 4.740 0.084 0.000 0.238 376 N C 0.002 175.281 175.510 -0.386 0.000 1.244 376 N CA -0.280 52.295 53.050 -0.790 0.000 0.880 376 N CB 0.699 38.414 38.487 -1.287 0.000 1.179 376 N HN 0.398 nan 8.380 nan 0.000 0.513 377 R N 0.132 120.533 120.500 -0.165 0.000 2.535 377 R HA 0.321 4.712 4.340 0.084 0.000 0.274 377 R C -1.282 174.958 176.300 -0.100 0.000 1.090 377 R CA -0.571 55.461 56.100 -0.114 0.000 0.930 377 R CB 1.348 31.591 30.300 -0.095 0.000 1.223 377 R HN 0.067 nan 8.270 nan 0.000 0.441 378 N N 3.017 121.552 118.700 -0.275 0.000 2.445 378 N HA 0.340 5.131 4.740 0.084 0.000 0.264 378 N C -2.282 173.161 175.510 -0.113 0.000 1.227 378 N CA -1.290 51.471 53.050 -0.481 0.000 0.963 378 N CB 0.755 38.350 38.487 -1.485 0.000 1.188 378 N HN 0.319 nan 8.380 nan 0.000 0.491 379 P HA 0.135 nan 4.420 nan 0.000 0.274 379 P C 0.036 177.503 177.300 0.280 0.000 1.260 379 P CA -0.107 63.174 63.100 0.302 0.000 0.793 379 P CB 1.135 33.053 31.700 0.364 0.000 1.048 380 D N -1.129 119.421 120.400 0.250 0.000 2.201 380 D HA -0.016 4.674 4.640 0.084 0.000 0.209 380 D C 0.438 176.915 176.300 0.294 0.000 0.961 380 D CA 1.348 55.493 54.000 0.242 0.000 0.861 380 D CB 0.205 41.092 40.800 0.145 0.000 0.997 380 D HN 0.382 nan 8.370 nan 0.000 0.486 381 N N -0.121 118.746 118.700 0.278 0.000 2.504 381 N HA 0.001 4.791 4.740 0.084 0.000 0.280 381 N C 0.065 175.783 175.510 0.347 0.000 1.052 381 N CA -0.319 52.907 53.050 0.294 0.000 0.887 381 N CB 1.341 39.966 38.487 0.230 0.000 1.323 381 N HN -0.185 nan 8.380 nan 0.000 0.509 382 F N 4.404 124.508 119.950 0.257 0.000 2.091 382 F HA -0.197 4.381 4.527 0.085 0.000 0.299 382 F C 1.651 177.587 175.800 0.228 0.000 1.103 382 F CA 1.619 59.772 58.000 0.255 0.000 1.228 382 F CB -0.188 38.937 39.000 0.209 0.000 0.984 382 F HN 0.602 nan 8.300 nan 0.000 0.477 383 F N 0.767 120.960 119.950 0.406 0.000 2.046 383 F HA -0.186 4.392 4.527 0.084 0.000 0.297 383 F C 2.389 178.249 175.800 0.101 0.000 1.123 383 F CA 2.014 60.167 58.000 0.255 0.000 1.199 383 F CB -1.064 38.062 39.000 0.210 0.000 0.972 383 F HN 0.006 nan 8.300 nan 0.000 0.474 384 A N -0.418 122.564 122.820 0.270 0.000 1.902 384 A HA -0.198 4.173 4.320 0.084 0.000 0.217 384 A C 2.088 179.617 177.584 -0.092 0.000 1.181 384 A CA 2.129 54.223 52.037 0.094 0.000 0.623 384 A CB -0.734 18.366 19.000 0.168 0.000 0.818 384 A HN 0.611 nan 8.150 nan 0.000 0.443 385 E N -1.514 118.645 120.200 -0.069 0.000 2.162 385 E HA -0.021 4.380 4.350 0.084 0.000 0.193 385 E C 1.946 178.453 176.600 -0.155 0.000 0.953 385 E CA 0.697 56.998 56.400 -0.165 0.000 0.849 385 E CB -0.077 29.588 29.700 -0.058 0.000 0.810 385 E HN 0.777 nan 8.360 nan 0.000 0.470 386 N N 0.695 119.291 118.700 -0.173 0.000 2.176 386 N HA -0.168 4.623 4.740 0.084 0.000 0.187 386 N C 1.949 177.288 175.510 -0.284 0.000 1.043 386 N CA 0.782 53.681 53.050 -0.251 0.000 0.851 386 N CB 0.179 38.142 38.487 -0.874 0.000 1.018 386 N HN -0.128 nan 8.380 nan 0.000 0.436 387 E N 0.682 120.644 120.200 -0.397 0.000 2.118 387 E HA -0.172 4.228 4.350 0.084 0.000 0.195 387 E C 1.313 177.716 176.600 -0.328 0.000 0.992 387 E CA 1.507 57.744 56.400 -0.271 0.000 0.804 387 E CB 0.002 29.578 29.700 -0.206 0.000 0.741 387 E HN 0.499 nan 8.360 nan 0.000 0.458 388 Q N -0.314 119.235 119.800 -0.419 0.000 2.365 388 Q HA 0.279 4.670 4.340 0.084 0.000 0.203 388 Q C -0.146 175.728 176.000 -0.209 0.000 0.929 388 Q CA 0.123 55.733 55.803 -0.321 0.000 0.948 388 Q CB 0.688 29.222 28.738 -0.340 0.000 1.043 388 Q HN 0.204 nan 8.270 nan 0.000 0.505 389 A N 1.167 123.880 122.820 -0.179 0.000 2.425 389 A HA 0.528 4.898 4.320 0.084 0.000 0.249 389 A C -0.167 177.296 177.584 -0.202 0.000 1.084 389 A CA 0.020 51.923 52.037 -0.223 0.000 0.781 389 A CB 0.363 19.281 19.000 -0.136 0.000 1.019 389 A HN 0.275 nan 8.150 nan 0.000 0.490 390 A N 2.079 124.727 122.820 -0.287 0.000 2.332 390 A HA 0.708 5.078 4.320 0.084 0.000 0.300 390 A C -0.866 176.599 177.584 -0.199 0.000 1.153 390 A CA -0.408 51.534 52.037 -0.159 0.000 0.764 390 A CB 0.313 19.232 19.000 -0.136 0.000 1.174 390 A HN 0.618 nan 8.150 nan 0.000 0.467 391 F N 1.517 121.451 119.950 -0.026 0.000 2.470 391 F HA 0.672 5.249 4.527 0.083 0.000 0.329 391 F C 0.448 176.154 175.800 -0.156 0.000 1.072 391 F CA -0.232 57.728 58.000 -0.067 0.000 0.989 391 F CB 1.734 40.657 39.000 -0.129 0.000 1.193 391 F HN 0.648 nan 8.300 nan 0.000 0.481 392 H N 3.167 122.053 119.070 -0.307 0.000 2.966 392 H HA 0.280 4.882 4.556 0.076 0.000 0.347 392 H C -2.418 172.545 175.328 -0.609 0.000 1.048 392 H CA -2.569 53.045 56.048 -0.724 0.000 1.295 392 H CB 2.830 31.979 29.762 -1.021 0.000 1.744 392 H HN 0.218 nan 8.280 nan 0.000 0.513 393 P HA -0.038 nan 4.420 nan 0.000 0.226 393 P C 1.206 178.580 177.300 0.125 0.000 1.153 393 P CA 1.214 64.281 63.100 -0.056 0.000 0.777 393 P CB 0.069 31.727 31.700 -0.069 0.000 0.794 394 G N -0.693 108.043 108.800 -0.106 0.000 2.443 394 G HA2 -0.183 3.827 3.960 0.084 0.000 0.219 394 G HA3 -0.183 3.827 3.960 0.084 0.000 0.219 394 G C 0.573 175.444 174.900 -0.049 0.000 1.131 394 G CA 0.143 45.099 45.100 -0.239 0.000 0.775 394 G HN 0.433 nan 8.290 nan 0.000 0.547 395 H N 0.851 119.814 119.070 -0.179 0.000 3.224 395 H HA 0.340 4.944 4.556 0.079 0.000 0.265 395 H C 0.540 175.905 175.328 0.062 0.000 1.461 395 H CA -0.779 55.212 56.048 -0.095 0.000 1.509 395 H CB -0.088 29.622 29.762 -0.086 0.000 1.686 395 H HN 0.371 nan 8.280 nan 0.000 0.514 396 I N -0.095 120.540 120.570 0.108 0.000 3.217 396 I HA 0.691 4.912 4.170 0.084 0.000 0.308 396 I C -0.142 175.930 176.117 -0.074 0.000 1.091 396 I CA -1.356 59.957 61.300 0.020 0.000 1.013 396 I CB 1.880 39.796 38.000 -0.140 0.000 1.250 396 I HN 0.137 nan 8.210 nan 0.000 0.496 397 V N -2.240 117.632 119.914 -0.070 0.000 3.130 397 V HA 0.664 4.835 4.120 0.084 0.000 0.310 397 V C -2.870 173.328 176.094 0.174 0.000 1.158 397 V CA -2.521 59.803 62.300 0.040 0.000 1.029 397 V CB 1.032 32.858 31.823 0.005 0.000 1.057 397 V HN 0.630 nan 8.190 nan 0.000 0.436 398 P HA 0.372 nan 4.420 nan 0.000 0.262 398 P C 0.893 178.186 177.300 -0.011 0.000 1.182 398 P CA 1.987 65.145 63.100 0.097 0.000 0.761 398 P CB 0.656 32.391 31.700 0.059 0.000 0.795 399 G N 1.748 110.495 108.800 -0.088 0.000 2.231 399 G HA2 -0.153 3.858 3.960 0.084 0.000 0.206 399 G HA3 -0.153 3.858 3.960 0.084 0.000 0.206 399 G C -0.276 174.536 174.900 -0.147 0.000 0.996 399 G CA -0.447 44.583 45.100 -0.118 0.000 0.645 399 G HN 0.447 nan 8.290 nan 0.000 0.498 400 L N 0.128 121.279 121.223 -0.120 0.000 2.323 400 L HA 0.912 5.302 4.340 0.084 0.000 0.265 400 L C -0.513 176.301 176.870 -0.094 0.000 1.012 400 L CA -1.028 53.722 54.840 -0.150 0.000 0.820 400 L CB 2.122 44.019 42.059 -0.270 0.000 1.334 400 L HN 0.118 nan 8.230 nan 0.000 0.427 401 D N -0.651 119.682 120.400 -0.111 0.000 2.665 401 D HA 0.489 5.180 4.640 0.084 0.000 0.287 401 D C -1.252 174.973 176.300 -0.126 0.000 1.266 401 D CA -0.315 53.576 54.000 -0.182 0.000 0.830 401 D CB 1.791 42.553 40.800 -0.064 0.000 1.356 401 D HN 0.048 nan 8.370 nan 0.000 0.437 402 F N -0.075 120.005 119.950 0.217 0.000 2.377 402 F HA 0.616 5.194 4.527 0.085 0.000 0.335 402 F C 1.400 177.230 175.800 0.051 0.000 1.099 402 F CA -0.299 57.762 58.000 0.102 0.000 1.072 402 F CB 0.779 39.808 39.000 0.048 0.000 1.417 402 F HN 0.239 nan 8.300 nan 0.000 0.495 403 T N -3.142 111.523 114.554 0.185 0.000 2.831 403 T HA 0.346 4.747 4.350 0.084 0.000 0.287 403 T C 0.001 174.741 174.700 0.067 0.000 1.070 403 T CA -0.896 61.286 62.100 0.136 0.000 1.010 403 T CB 1.222 70.148 68.868 0.096 0.000 1.264 403 T HN 0.322 nan 8.240 nan 0.000 0.532 404 N N 1.111 119.851 118.700 0.068 0.000 2.449 404 N HA 0.058 4.848 4.740 0.084 0.000 0.191 404 N C 0.103 175.621 175.510 0.013 0.000 1.161 404 N CA 0.096 53.166 53.050 0.034 0.000 0.863 404 N CB -0.467 38.054 38.487 0.056 0.000 0.980 404 N HN 0.720 nan 8.380 nan 0.000 0.458 405 D N 2.293 122.693 120.400 -0.001 0.000 2.772 405 D HA -0.100 4.590 4.640 0.084 0.000 0.227 405 D C -1.404 174.896 176.300 -0.001 0.000 1.114 405 D CA -0.756 53.267 54.000 0.039 0.000 0.832 405 D CB 1.195 41.972 40.800 -0.037 0.000 1.154 405 D HN 0.156 nan 8.370 nan 0.000 0.514 406 P HA -0.080 nan 4.420 nan 0.000 0.233 406 P C 1.410 178.729 177.300 0.032 0.000 1.167 406 P CA 0.121 63.238 63.100 0.028 0.000 0.770 406 P CB 0.392 32.102 31.700 0.017 0.000 0.837 407 L N -0.342 120.916 121.223 0.058 0.000 2.145 407 L HA 0.077 4.468 4.340 0.084 0.000 0.201 407 L C 2.325 179.121 176.870 -0.124 0.000 1.075 407 L CA 1.085 55.959 54.840 0.057 0.000 0.773 407 L CB -1.491 40.693 42.059 0.209 0.000 0.936 407 L HN -0.188 nan 8.230 nan 0.000 0.451 408 L N -0.436 120.531 121.223 -0.426 0.000 2.042 408 L HA -0.220 4.170 4.340 0.084 0.000 0.210 408 L C 2.428 179.069 176.870 -0.382 0.000 1.076 408 L CA 1.818 56.201 54.840 -0.762 0.000 0.749 408 L CB -0.892 40.510 42.059 -1.096 0.000 0.893 408 L HN 0.363 nan 8.230 nan 0.000 0.432 409 Q N -0.143 119.500 119.800 -0.263 0.000 2.096 409 Q HA -0.148 4.242 4.340 0.084 0.000 0.204 409 Q C 2.098 178.026 176.000 -0.119 0.000 0.982 409 Q CA 1.798 57.484 55.803 -0.194 0.000 0.850 409 Q CB -0.752 27.918 28.738 -0.114 0.000 0.901 409 Q HN 0.710 nan 8.270 nan 0.000 0.422 410 G N 0.257 109.016 108.800 -0.068 0.000 2.464 410 G HA2 -0.184 3.827 3.960 0.084 0.000 0.217 410 G HA3 -0.184 3.827 3.960 0.084 0.000 0.217 410 G C 1.497 176.412 174.900 0.025 0.000 1.138 410 G CA 0.016 45.118 45.100 0.004 0.000 0.793 410 G HN 0.241 nan 8.290 nan 0.000 0.539 411 R N -0.141 120.332 120.500 -0.045 0.000 2.120 411 R HA 0.074 4.464 4.340 0.084 0.000 0.234 411 R C 2.416 178.796 176.300 0.133 0.000 1.123 411 R CA 0.611 56.733 56.100 0.037 0.000 0.975 411 R CB -0.393 29.942 30.300 0.060 0.000 0.866 411 R HN 0.332 nan 8.270 nan 0.000 0.446 412 L N -0.353 120.887 121.223 0.027 0.000 2.127 412 L HA -0.206 4.184 4.340 0.084 0.000 0.211 412 L C 2.237 179.238 176.870 0.217 0.000 1.089 412 L CA 1.102 55.990 54.840 0.079 0.000 0.757 412 L CB -0.405 41.533 42.059 -0.201 0.000 0.899 412 L HN 0.168 nan 8.230 nan 0.000 0.434 413 F N -0.044 119.920 119.950 0.024 0.000 2.187 413 F HA -0.156 4.402 4.527 0.052 0.000 0.295 413 F C 2.769 178.565 175.800 -0.007 0.000 1.091 413 F CA 1.522 59.535 58.000 0.022 0.000 1.308 413 F CB -0.285 38.710 39.000 -0.009 0.000 1.030 413 F HN -0.078 nan 8.300 nan 0.000 0.487 414 S N -0.890 114.692 115.700 -0.197 0.000 2.387 414 S HA -0.180 4.341 4.470 0.084 0.000 0.226 414 S C 2.054 176.344 174.600 -0.517 0.000 1.026 414 S CA 1.221 59.167 58.200 -0.423 0.000 0.972 414 S CB -0.658 62.356 63.200 -0.309 0.000 0.814 414 S HN 0.478 nan 8.310 nan 0.000 0.477 415 Y N 2.091 122.016 120.300 -0.625 0.000 2.145 415 Y HA -0.072 4.525 4.550 0.079 0.000 0.286 415 Y C 2.993 178.534 175.900 -0.597 0.000 1.145 415 Y CA 1.677 59.345 58.100 -0.719 0.000 1.148 415 Y CB -1.300 36.462 38.460 -1.164 0.000 0.981 415 Y HN 0.241 nan 8.280 nan 0.000 0.507 416 T N -0.368 113.967 114.554 -0.365 0.000 2.652 416 T HA -0.259 4.141 4.350 0.084 0.000 0.267 416 T C 1.521 176.089 174.700 -0.220 0.000 1.039 416 T CA 1.790 63.812 62.100 -0.130 0.000 1.153 416 T CB -0.594 68.319 68.868 0.075 0.000 0.863 416 T HN 0.357 nan 8.240 nan 0.000 0.428 417 D N 0.442 120.638 120.400 -0.341 0.000 2.092 417 D HA -0.131 4.560 4.640 0.084 0.000 0.193 417 D C 2.333 178.484 176.300 -0.248 0.000 0.994 417 D CA 1.766 55.570 54.000 -0.327 0.000 0.828 417 D CB -0.600 39.838 40.800 -0.604 0.000 0.963 417 D HN 0.260 nan 8.370 nan 0.000 0.450 418 T N -1.013 113.366 114.554 -0.291 0.000 2.833 418 T HA -0.156 4.244 4.350 0.084 0.000 0.269 418 T C 1.852 176.420 174.700 -0.220 0.000 1.054 418 T CA 1.507 63.471 62.100 -0.227 0.000 1.135 418 T CB -0.194 68.521 68.868 -0.254 0.000 0.869 418 T HN 0.247 nan 8.240 nan 0.000 0.466 419 Q N -0.073 119.541 119.800 -0.310 0.000 2.224 419 Q HA -0.001 4.389 4.340 0.084 0.000 0.203 419 Q C 2.224 178.046 176.000 -0.296 0.000 0.970 419 Q CA 0.902 56.464 55.803 -0.402 0.000 0.865 419 Q CB -0.061 28.200 28.738 -0.795 0.000 0.922 419 Q HN 0.470 nan 8.270 nan 0.000 0.445 420 I N 0.684 121.151 120.570 -0.172 0.000 2.179 420 I HA -0.245 3.975 4.170 0.084 0.000 0.242 420 I C 2.499 178.613 176.117 -0.005 0.000 1.088 420 I CA 1.791 63.094 61.300 0.004 0.000 1.357 420 I CB -1.578 36.456 38.000 0.055 0.000 1.051 420 I HN 0.231 nan 8.210 nan 0.000 0.409 421 S N 0.831 116.508 115.700 -0.037 0.000 2.395 421 S HA -0.162 4.358 4.470 0.084 0.000 0.225 421 S C 2.192 176.778 174.600 -0.023 0.000 1.027 421 S CA 0.660 58.850 58.200 -0.017 0.000 0.965 421 S CB -0.484 62.706 63.200 -0.017 0.000 0.812 421 S HN 0.362 nan 8.310 nan 0.000 0.482 422 R N 1.071 121.537 120.500 -0.056 0.000 2.073 422 R HA 0.114 4.505 4.340 0.084 0.000 0.234 422 R C 1.440 177.721 176.300 -0.031 0.000 1.134 422 R CA 1.565 57.635 56.100 -0.049 0.000 0.952 422 R CB -0.331 29.920 30.300 -0.083 0.000 0.850 422 R HN 0.477 nan 8.270 nan 0.000 0.433 423 L N -0.392 120.805 121.223 -0.044 0.000 2.741 423 L HA 0.337 4.728 4.340 0.084 0.000 0.237 423 L C 0.860 177.754 176.870 0.040 0.000 1.178 423 L CA 0.274 55.108 54.840 -0.008 0.000 0.973 423 L CB 0.957 43.008 42.059 -0.013 0.000 1.255 423 L HN 0.618 nan 8.230 nan 0.000 0.498 424 G N -0.150 108.675 108.800 0.043 0.000 2.179 424 G HA2 -0.136 3.875 3.960 0.084 0.000 0.260 424 G HA3 -0.136 3.875 3.960 0.084 0.000 0.260 424 G C 0.428 175.380 174.900 0.086 0.000 0.977 424 G CA -0.037 45.099 45.100 0.059 0.000 0.641 424 G HN 0.791 nan 8.290 nan 0.000 0.533 425 G N -1.696 107.178 108.800 0.123 0.000 2.320 425 G HA2 0.632 4.643 3.960 0.084 0.000 0.297 425 G HA3 0.632 4.643 3.960 0.084 0.000 0.297 425 G C -2.365 172.676 174.900 0.234 0.000 1.344 425 G CA 0.358 45.543 45.100 0.143 0.000 0.851 425 G HN 0.417 nan 8.290 nan 0.000 0.567 426 P HA 0.133 nan 4.420 nan 0.000 0.255 426 P C 0.086 177.397 177.300 0.019 0.000 1.248 426 P CA 0.257 63.470 63.100 0.187 0.000 0.807 426 P CB 0.276 32.051 31.700 0.125 0.000 1.150 427 N N 0.473 119.184 118.700 0.019 0.000 2.376 427 N HA 0.087 4.877 4.740 0.084 0.000 0.249 427 N C 0.928 176.279 175.510 -0.265 0.000 1.140 427 N CA -0.259 52.698 53.050 -0.154 0.000 0.870 427 N CB -0.511 37.926 38.487 -0.083 0.000 1.124 427 N HN 0.246 nan 8.380 nan 0.000 0.505 428 F N 0.471 120.420 119.950 -0.003 0.000 2.451 428 F HA -0.034 4.533 4.527 0.067 0.000 0.299 428 F C 2.178 177.936 175.800 -0.070 0.000 1.101 428 F CA 0.669 58.642 58.000 -0.046 0.000 1.436 428 F CB -0.645 38.347 39.000 -0.012 0.000 1.074 428 F HN 0.161 nan 8.300 nan 0.000 0.553 429 H N 0.400 119.123 119.070 -0.578 0.000 2.546 429 H HA 0.091 4.696 4.556 0.083 0.000 0.277 429 H C 0.812 176.003 175.328 -0.228 0.000 1.004 429 H CA 1.236 57.058 56.048 -0.377 0.000 1.231 429 H CB -0.728 28.695 29.762 -0.566 0.000 1.382 429 H HN 0.523 nan 8.280 nan 0.000 0.580 430 E N 1.025 120.828 120.200 -0.661 0.000 2.447 430 E HA 0.176 4.576 4.350 0.084 0.000 0.195 430 E C 0.354 176.844 176.600 -0.183 0.000 1.028 430 E CA -0.270 55.895 56.400 -0.391 0.000 0.876 430 E CB 0.542 30.011 29.700 -0.385 0.000 0.885 430 E HN 0.417 nan 8.360 nan 0.000 0.500 431 I N 3.011 123.494 120.570 -0.145 0.000 2.668 431 I HA -0.059 4.161 4.170 0.084 0.000 0.285 431 I C -1.559 174.501 176.117 -0.095 0.000 1.168 431 I CA -1.338 59.902 61.300 -0.100 0.000 1.424 431 I CB 0.480 38.434 38.000 -0.077 0.000 1.377 431 I HN -0.188 nan 8.210 nan 0.000 0.560 432 P HA -0.250 nan 4.420 nan 0.000 0.216 432 P C 1.739 178.968 177.300 -0.119 0.000 1.157 432 P CA 1.321 64.367 63.100 -0.089 0.000 0.880 432 P CB 0.162 31.818 31.700 -0.073 0.000 0.791 433 I N -0.958 119.510 120.570 -0.169 0.000 2.567 433 I HA -0.178 4.042 4.170 0.084 0.000 0.257 433 I C 1.254 177.280 176.117 -0.151 0.000 1.184 433 I CA 1.650 62.794 61.300 -0.261 0.000 1.451 433 I CB -0.562 37.160 38.000 -0.464 0.000 1.089 433 I HN -0.109 nan 8.210 nan 0.000 0.441 434 N N 0.530 119.170 118.700 -0.100 0.000 2.353 434 N HA 0.073 4.864 4.740 0.084 0.000 0.185 434 N C 0.229 175.749 175.510 0.018 0.000 1.098 434 N CA 0.170 53.193 53.050 -0.045 0.000 0.872 434 N CB 0.012 38.498 38.487 -0.002 0.000 0.970 434 N HN 0.359 nan 8.380 nan 0.000 0.467 435 R N 1.397 121.907 120.500 0.017 0.000 2.491 435 R HA 0.219 4.609 4.340 0.084 0.000 0.283 435 R C -2.238 174.128 176.300 0.111 0.000 1.072 435 R CA -1.269 54.845 56.100 0.023 0.000 1.048 435 R CB 0.039 30.336 30.300 -0.006 0.000 0.983 435 R HN -0.001 nan 8.270 nan 0.000 0.450 436 P HA -0.001 nan 4.420 nan 0.000 0.272 436 P C 0.480 177.850 177.300 0.117 0.000 1.230 436 P CA -0.028 63.152 63.100 0.133 0.000 0.788 436 P CB 0.735 32.474 31.700 0.066 0.000 0.949 437 T N -3.065 111.569 114.554 0.133 0.000 3.037 437 T HA 0.063 4.463 4.350 0.084 0.000 0.251 437 T C 0.944 175.688 174.700 0.072 0.000 1.079 437 T CA 0.063 62.199 62.100 0.061 0.000 1.067 437 T CB -0.980 67.906 68.868 0.031 0.000 0.948 437 T HN 0.573 nan 8.240 nan 0.000 0.496 438 C N 1.479 120.837 119.300 0.096 0.000 2.396 438 C HA 0.775 5.285 4.460 0.084 0.000 0.359 438 C C -2.413 172.637 174.990 0.100 0.000 1.307 438 C CA -2.381 56.691 59.018 0.091 0.000 2.392 438 C CB -0.085 27.713 27.740 0.097 0.000 2.245 438 C HN 0.183 nan 8.230 nan 0.000 0.615 439 P HA 0.331 nan 4.420 nan 0.000 0.271 439 P C -1.252 176.135 177.300 0.145 0.000 1.218 439 P CA 0.388 63.566 63.100 0.130 0.000 0.780 439 P CB 0.036 31.845 31.700 0.182 0.000 0.901 440 Y N 0.564 120.786 120.300 -0.131 0.000 2.361 440 Y HA 0.643 5.244 4.550 0.084 0.000 0.328 440 Y C -1.583 174.010 175.900 -0.511 0.000 1.044 440 Y CA -0.967 57.024 58.100 -0.180 0.000 1.085 440 Y CB 1.112 39.481 38.460 -0.153 0.000 1.194 440 Y HN 0.422 nan 8.280 nan 0.000 0.438 441 H N 4.052 123.045 119.070 -0.127 0.000 2.877 441 H HA 0.565 5.172 4.556 0.085 0.000 0.347 441 H C -1.130 174.098 175.328 -0.167 0.000 1.042 441 H CA -0.741 55.152 56.048 -0.259 0.000 1.276 441 H CB 1.570 31.207 29.762 -0.209 0.000 1.681 441 H HN 0.886 nan 8.280 nan 0.000 0.521 442 N N 0.490 119.092 118.700 -0.164 0.000 3.364 442 N HA 0.200 4.990 4.740 0.084 0.000 0.294 442 N C -1.236 174.069 175.510 -0.341 0.000 1.562 442 N CA -0.916 52.012 53.050 -0.203 0.000 0.862 442 N CB 0.673 39.181 38.487 0.035 0.000 1.691 442 N HN 0.256 nan 8.380 nan 0.000 0.572 443 F N -0.328 119.664 119.950 0.070 0.000 2.647 443 F HA 0.363 4.937 4.527 0.078 0.000 0.300 443 F C 0.392 176.234 175.800 0.071 0.000 1.106 443 F CA -0.300 57.735 58.000 0.059 0.000 1.313 443 F CB 0.042 39.071 39.000 0.048 0.000 1.007 443 F HN 0.175 nan 8.300 nan 0.000 0.536 444 Q N 1.549 121.462 119.800 0.187 0.000 2.352 444 Q HA 0.414 4.805 4.340 0.084 0.000 0.260 444 Q C 0.128 176.208 176.000 0.133 0.000 0.976 444 Q CA -0.021 55.869 55.803 0.146 0.000 0.881 444 Q CB 1.139 29.939 28.738 0.104 0.000 1.235 444 Q HN 0.114 nan 8.270 nan 0.000 0.419 445 R N 1.540 122.112 120.500 0.119 0.000 2.817 445 R HA 0.360 4.750 4.340 0.084 0.000 0.268 445 R C -0.630 175.723 176.300 0.087 0.000 1.027 445 R CA -0.704 55.458 56.100 0.103 0.000 0.928 445 R CB 1.033 31.395 30.300 0.103 0.000 1.228 445 R HN 0.700 nan 8.270 nan 0.000 0.469 446 D N -0.233 120.210 120.400 0.073 0.000 3.395 446 D HA -0.157 4.533 4.640 0.084 0.000 0.238 446 D C 0.346 176.685 176.300 0.066 0.000 1.741 446 D CA 2.101 56.138 54.000 0.061 0.000 1.135 446 D CB -0.958 39.877 40.800 0.058 0.000 0.767 446 D HN 0.911 nan 8.370 nan 0.000 0.934 447 G N -1.608 107.229 108.800 0.062 0.000 2.692 447 G HA2 0.227 4.238 3.960 0.084 0.000 0.686 447 G HA3 0.227 4.238 3.960 0.084 0.000 0.686 447 G C -0.277 174.664 174.900 0.069 0.000 1.243 447 G CA -0.021 45.121 45.100 0.069 0.000 0.782 447 G HN 0.836 nan 8.290 nan 0.000 0.625 448 M N 1.394 121.041 119.600 0.079 0.000 2.251 448 M HA 0.461 4.991 4.480 0.084 0.000 0.343 448 M C 1.048 177.433 176.300 0.142 0.000 1.245 448 M CA 1.402 56.758 55.300 0.092 0.000 1.061 448 M CB -0.513 32.145 32.600 0.096 0.000 1.723 448 M HN 1.709 nan 8.290 nan 0.000 0.449 449 H N 1.037 120.117 119.070 0.017 0.000 2.748 449 H HA -0.172 4.433 4.556 0.082 0.000 0.322 449 H C -0.843 174.480 175.328 -0.009 0.000 1.208 449 H CA 0.613 56.666 56.048 0.007 0.000 1.151 449 H CB -0.635 29.134 29.762 0.011 0.000 1.505 449 H HN 0.650 nan 8.280 nan 0.000 0.429 450 R N 1.734 122.250 120.500 0.027 0.000 2.351 450 R HA 0.080 4.471 4.340 0.084 0.000 0.318 450 R C 0.893 177.191 176.300 -0.004 0.000 1.055 450 R CA -0.091 56.023 56.100 0.024 0.000 0.968 450 R CB 0.221 30.531 30.300 0.018 0.000 0.974 450 R HN 0.414 nan 8.270 nan 0.000 0.439 451 M N 2.400 122.013 119.600 0.022 0.000 2.299 451 M HA 0.210 4.740 4.480 0.084 0.000 0.264 451 M C 0.925 177.223 176.300 -0.003 0.000 1.095 451 M CA 1.066 56.373 55.300 0.012 0.000 1.165 451 M CB -0.915 31.705 32.600 0.033 0.000 1.349 451 M HN 0.689 nan 8.290 nan 0.000 0.446 452 G N 1.888 110.692 108.800 0.006 0.000 2.340 452 G HA2 0.354 4.365 3.960 0.084 0.000 0.245 452 G HA3 0.354 4.365 3.960 0.084 0.000 0.245 452 G C -0.311 174.584 174.900 -0.007 0.000 1.294 452 G CA -0.350 44.749 45.100 -0.003 0.000 0.896 452 G HN 0.336 nan 8.290 nan 0.000 0.522 453 I N 2.994 123.552 120.570 -0.020 0.000 2.307 453 I HA 0.111 4.331 4.170 0.084 0.000 0.287 453 I C -0.277 175.828 176.117 -0.019 0.000 1.054 453 I CA -0.523 60.768 61.300 -0.014 0.000 1.218 453 I CB 0.901 38.892 38.000 -0.015 0.000 1.398 453 I HN 0.376 nan 8.210 nan 0.000 0.475 454 D N 4.840 125.235 120.400 -0.009 0.000 2.308 454 D HA 0.093 4.783 4.640 0.084 0.000 0.251 454 D C 1.115 177.416 176.300 0.001 0.000 1.127 454 D CA 0.166 54.158 54.000 -0.013 0.000 0.876 454 D CB 1.944 42.744 40.800 -0.000 0.000 1.176 454 D HN 0.557 nan 8.370 nan 0.000 0.446 455 T N -1.135 113.416 114.554 -0.004 0.000 3.069 455 T HA -0.047 4.354 4.350 0.084 0.000 0.252 455 T C 0.835 175.544 174.700 0.015 0.000 1.053 455 T CA -0.546 61.556 62.100 0.003 0.000 0.964 455 T CB 0.174 69.038 68.868 -0.007 0.000 1.005 455 T HN 0.127 nan 8.240 nan 0.000 0.532 456 N N 3.330 122.040 118.700 0.017 0.000 2.411 456 N HA 0.081 4.871 4.740 0.084 0.000 0.261 456 N C -1.603 173.944 175.510 0.062 0.000 1.248 456 N CA -1.414 51.659 53.050 0.039 0.000 0.885 456 N CB 1.448 39.960 38.487 0.042 0.000 1.062 456 N HN 0.050 nan 8.380 nan 0.000 0.471 457 P HA -0.043 nan 4.420 nan 0.000 0.218 457 P C -0.505 176.849 177.300 0.089 0.000 1.148 457 P CA 1.039 64.181 63.100 0.070 0.000 0.822 457 P CB 0.198 31.935 31.700 0.063 0.000 0.784 458 A N 0.475 123.337 122.820 0.069 0.000 2.312 458 A HA 0.443 4.813 4.320 0.084 0.000 0.328 458 A C 0.396 178.068 177.584 0.147 0.000 1.158 458 A CA -0.634 51.388 52.037 -0.024 0.000 0.821 458 A CB 0.093 18.930 19.000 -0.272 0.000 1.170 458 A HN 0.277 nan 8.150 nan 0.000 0.490 459 N N -0.184 118.621 118.700 0.175 0.000 2.416 459 N HA 0.395 5.186 4.740 0.084 0.000 0.267 459 N C -0.911 174.734 175.510 0.226 0.000 1.294 459 N CA -0.396 52.849 53.050 0.325 0.000 0.891 459 N CB 0.364 39.005 38.487 0.257 0.000 1.238 459 N HN 0.678 nan 8.380 nan 0.000 0.508 460 Y N -1.258 118.896 120.300 -0.244 0.000 2.638 460 Y HA 0.688 5.286 4.550 0.080 0.000 0.335 460 Y C -1.616 173.710 175.900 -0.957 0.000 1.155 460 Y CA -1.333 56.471 58.100 -0.493 0.000 1.046 460 Y CB 0.942 39.275 38.460 -0.211 0.000 1.303 460 Y HN 0.114 nan 8.280 nan 0.000 0.460 461 E N 0.713 120.502 120.200 -0.684 0.000 2.372 461 E HA 0.641 5.042 4.350 0.084 0.000 0.279 461 E C -3.236 173.274 176.600 -0.150 0.000 0.946 461 E CA -1.881 54.205 56.400 -0.522 0.000 0.769 461 E CB 1.683 30.980 29.700 -0.671 0.000 1.230 461 E HN 0.589 nan 8.360 nan 0.000 0.442 462 P HA 0.308 nan 4.420 nan 0.000 0.275 462 P C -1.259 176.019 177.300 -0.037 0.000 1.228 462 P CA -0.444 62.602 63.100 -0.091 0.000 0.786 462 P CB 0.475 32.150 31.700 -0.041 0.000 0.927 463 N N -1.513 117.093 118.700 -0.156 0.000 2.242 463 N HA 0.313 5.104 4.740 0.084 0.000 0.292 463 N C 0.304 175.782 175.510 -0.053 0.000 1.125 463 N CA -0.764 52.209 53.050 -0.127 0.000 0.783 463 N CB 1.455 39.582 38.487 -0.600 0.000 1.558 463 N HN 0.193 nan 8.380 nan 0.000 0.472 464 S N 0.968 116.681 115.700 0.023 0.000 2.492 464 S HA -0.028 4.493 4.470 0.084 0.000 0.218 464 S C 1.562 176.181 174.600 0.032 0.000 1.016 464 S CA 0.135 58.347 58.200 0.019 0.000 0.916 464 S CB -0.807 62.414 63.200 0.035 0.000 0.791 464 S HN 0.716 nan 8.310 nan 0.000 0.513 465 I N -0.728 119.868 120.570 0.044 0.000 2.830 465 I HA 0.196 4.416 4.170 0.084 0.000 0.263 465 I C 1.340 177.491 176.117 0.056 0.000 1.230 465 I CA 1.286 62.620 61.300 0.057 0.000 1.480 465 I CB -0.401 37.649 38.000 0.084 0.000 1.095 465 I HN 0.175 nan 8.210 nan 0.000 0.455 466 N N 1.084 119.817 118.700 0.054 0.000 2.291 466 N HA 0.038 4.829 4.740 0.084 0.000 0.244 466 N C -0.124 175.497 175.510 0.185 0.000 1.216 466 N CA -0.048 53.073 53.050 0.118 0.000 0.879 466 N CB 0.019 38.588 38.487 0.136 0.000 1.167 466 N HN 0.197 nan 8.380 nan 0.000 0.515 467 D N 0.780 121.242 120.400 0.102 0.000 2.751 467 D HA -0.254 4.436 4.640 0.084 0.000 0.233 467 D C -0.113 176.104 176.300 -0.137 0.000 1.149 467 D CA 0.949 54.981 54.000 0.053 0.000 0.682 467 D CB -1.358 39.556 40.800 0.190 0.000 1.068 467 D HN 0.452 nan 8.370 nan 0.000 0.429 468 N N -1.634 117.002 118.700 -0.107 0.000 2.753 468 N HA -0.250 4.540 4.740 0.084 0.000 0.251 468 N C -0.872 174.542 175.510 -0.161 0.000 1.097 468 N CA 1.394 54.344 53.050 -0.168 0.000 0.786 468 N CB -1.259 37.078 38.487 -0.250 0.000 1.137 468 N HN 0.536 nan 8.380 nan 0.000 0.566 469 W N 0.970 122.324 121.300 0.091 0.000 2.376 469 W HA 0.446 5.155 4.660 0.083 0.000 0.322 469 W C -1.683 174.864 176.519 0.046 0.000 1.160 469 W CA -1.636 55.740 57.345 0.052 0.000 1.218 469 W CB 0.674 30.114 29.460 -0.033 0.000 1.205 469 W HN -0.031 nan 8.180 nan 0.000 0.559 470 P HA 0.212 nan 4.420 nan 0.000 0.275 470 P C -0.688 176.725 177.300 0.187 0.000 1.228 470 P CA -0.199 63.035 63.100 0.224 0.000 0.786 470 P CB 1.019 32.713 31.700 -0.011 0.000 0.927 471 R N 1.233 121.802 120.500 0.115 0.000 2.604 471 R HA 0.314 4.704 4.340 0.084 0.000 0.287 471 R C 0.340 176.653 176.300 0.021 0.000 0.970 471 R CA -0.831 55.226 56.100 -0.072 0.000 0.946 471 R CB 1.207 31.224 30.300 -0.472 0.000 1.127 471 R HN 0.500 nan 8.270 nan 0.000 0.473 472 E N 0.846 121.054 120.200 0.014 0.000 2.459 472 E HA -0.009 4.392 4.350 0.084 0.000 0.264 472 E C -0.514 176.099 176.600 0.022 0.000 1.055 472 E CA 0.760 57.182 56.400 0.036 0.000 0.957 472 E CB 0.581 30.292 29.700 0.020 0.000 0.952 472 E HN 0.364 nan 8.360 nan 0.000 0.448 473 T N 3.680 118.260 114.554 0.044 0.000 2.840 473 T HA 0.325 4.725 4.350 0.084 0.000 0.287 473 T C -2.442 172.278 174.700 0.033 0.000 0.991 473 T CA -1.567 60.558 62.100 0.042 0.000 0.964 473 T CB 1.457 70.362 68.868 0.062 0.000 0.954 473 T HN 0.241 nan 8.240 nan 0.000 0.438 474 P HA 0.222 nan 4.420 nan 0.000 0.268 474 P C -2.466 174.838 177.300 0.006 0.000 1.208 474 P CA -1.186 61.919 63.100 0.009 0.000 0.777 474 P CB -0.382 31.318 31.700 0.001 0.000 0.875 475 P HA 0.306 nan 4.420 nan 0.000 0.272 475 P C -0.045 177.241 177.300 -0.023 0.000 1.223 475 P CA 0.325 63.408 63.100 -0.028 0.000 0.784 475 P CB 0.711 32.374 31.700 -0.062 0.000 0.923 476 G N 1.000 109.785 108.800 -0.026 0.000 2.495 476 G HA2 0.405 4.415 3.960 0.084 0.000 0.294 476 G HA3 0.405 4.415 3.960 0.084 0.000 0.294 476 G C -2.533 172.354 174.900 -0.022 0.000 1.397 476 G CA -0.769 44.320 45.100 -0.018 0.000 0.790 476 G HN 0.132 nan 8.290 nan 0.000 0.486 477 P HA 0.059 nan 4.420 nan 0.000 0.217 477 P C 0.092 177.385 177.300 -0.012 0.000 1.150 477 P CA 1.347 64.436 63.100 -0.018 0.000 0.832 477 P CB 0.079 31.770 31.700 -0.014 0.000 0.787 478 K N -2.175 118.225 120.400 -0.000 0.000 2.527 478 K HA 0.377 4.747 4.320 0.084 0.000 0.260 478 K C -0.337 176.276 176.600 0.022 0.000 0.937 478 K CA -0.946 55.347 56.287 0.011 0.000 0.826 478 K CB 1.653 34.162 32.500 0.014 0.000 1.359 478 K HN -0.351 nan 8.250 nan 0.000 0.434 479 R N -0.830 119.691 120.500 0.034 0.000 3.641 479 R HA -0.132 4.258 4.340 0.084 0.000 0.286 479 R C 0.119 176.446 176.300 0.044 0.000 1.153 479 R CA 1.256 57.383 56.100 0.044 0.000 0.775 479 R CB -2.464 27.862 30.300 0.043 0.000 1.215 479 R HN 1.042 nan 8.270 nan 0.000 0.474 480 G N -1.216 107.605 108.800 0.035 0.000 2.491 480 G HA2 0.636 4.647 3.960 0.084 0.000 0.327 480 G HA3 0.636 4.647 3.960 0.084 0.000 0.327 480 G C 0.382 175.312 174.900 0.050 0.000 1.189 480 G CA 0.008 45.126 45.100 0.031 0.000 0.956 480 G HN 0.286 nan 8.290 nan 0.000 0.491 481 G N -1.188 107.643 108.800 0.051 0.000 2.636 481 G HA2 0.389 4.400 3.960 0.084 0.000 0.246 481 G HA3 0.389 4.400 3.960 0.084 0.000 0.246 481 G C -0.667 174.285 174.900 0.087 0.000 1.216 481 G CA -0.518 44.634 45.100 0.086 0.000 0.854 481 G HN 0.452 nan 8.290 nan 0.000 0.572 482 F N 0.329 120.286 119.950 0.013 0.000 2.467 482 F HA 0.388 4.968 4.527 0.089 0.000 0.362 482 F C 0.542 176.348 175.800 0.010 0.000 1.090 482 F CA -0.304 57.698 58.000 0.004 0.000 1.202 482 F CB 0.913 39.915 39.000 0.004 0.000 1.113 482 F HN 0.455 nan 8.300 nan 0.000 0.541 483 E N 4.285 124.133 120.200 -0.585 0.000 2.234 483 E HA 0.333 4.734 4.350 0.084 0.000 0.266 483 E C -1.100 175.184 176.600 -0.526 0.000 0.877 483 E CA -0.786 55.416 56.400 -0.330 0.000 0.758 483 E CB 1.490 31.083 29.700 -0.178 0.000 1.170 483 E HN 0.613 nan 8.360 nan 0.000 0.415 484 S N 2.567 118.166 115.700 -0.168 0.000 2.572 484 S HA 0.004 4.524 4.470 0.084 0.000 0.279 484 S C -0.531 174.047 174.600 -0.035 0.000 1.341 484 S CA -0.363 57.806 58.200 -0.051 0.000 1.043 484 S CB 0.151 63.442 63.200 0.152 0.000 0.887 484 S HN 0.483 nan 8.310 nan 0.000 0.516 485 Y N 2.180 122.411 120.300 -0.115 0.000 2.610 485 Y HA 0.023 4.623 4.550 0.083 0.000 0.332 485 Y C 0.770 176.646 175.900 -0.041 0.000 1.201 485 Y CA 0.043 58.086 58.100 -0.095 0.000 1.465 485 Y CB 0.255 38.657 38.460 -0.097 0.000 1.283 485 Y HN 0.576 nan 8.280 nan 0.000 0.563 486 Q N 5.180 124.597 119.800 -0.639 0.000 3.181 486 Q HA 0.045 4.436 4.340 0.084 0.000 0.293 486 Q C -0.353 175.340 176.000 -0.512 0.000 1.406 486 Q CA -0.115 55.432 55.803 -0.427 0.000 1.026 486 Q CB -0.105 28.452 28.738 -0.302 0.000 1.630 486 Q HN 0.643 nan 8.270 nan 0.000 0.553 487 E N 1.447 121.441 120.200 -0.344 0.000 2.414 487 E HA -0.003 4.398 4.350 0.084 0.000 0.263 487 E C -0.227 176.334 176.600 -0.064 0.000 1.000 487 E CA -0.467 55.855 56.400 -0.131 0.000 0.914 487 E CB 0.651 30.413 29.700 0.105 0.000 0.948 487 E HN 0.130 nan 8.360 nan 0.000 0.444 488 R N 3.105 123.590 120.500 -0.024 0.000 2.389 488 R HA 0.210 4.600 4.340 0.084 0.000 0.295 488 R C -1.508 174.812 176.300 0.033 0.000 1.075 488 R CA -0.216 55.883 56.100 -0.001 0.000 1.005 488 R CB 0.825 31.131 30.300 0.010 0.000 0.987 488 R HN 0.293 nan 8.270 nan 0.000 0.452 489 V N 5.109 125.037 119.914 0.022 0.000 2.448 489 V HA 0.429 4.599 4.120 0.084 0.000 0.295 489 V C -0.495 175.612 176.094 0.021 0.000 1.025 489 V CA -0.561 61.757 62.300 0.031 0.000 0.859 489 V CB 1.596 33.433 31.823 0.024 0.000 0.988 489 V HN 0.822 nan 8.190 nan 0.000 0.431 490 E N 2.911 123.126 120.200 0.025 0.000 2.294 490 E HA 0.689 5.089 4.350 0.084 0.000 0.272 490 E C -0.167 176.440 176.600 0.010 0.000 0.896 490 E CA -0.436 55.973 56.400 0.014 0.000 0.802 490 E CB 2.328 32.036 29.700 0.014 0.000 1.267 490 E HN 0.970 nan 8.360 nan 0.000 0.406 491 G N 2.383 111.185 108.800 0.002 0.000 2.328 491 G HA2 0.162 4.172 3.960 0.084 0.000 0.295 491 G HA3 0.162 4.172 3.960 0.084 0.000 0.295 491 G C -1.435 173.460 174.900 -0.009 0.000 1.413 491 G CA -1.014 44.083 45.100 -0.004 0.000 0.817 491 G HN 0.359 nan 8.290 nan 0.000 0.546 492 N N -0.128 118.564 118.700 -0.014 0.000 2.476 492 N HA 0.432 5.223 4.740 0.084 0.000 0.275 492 N C -0.182 175.316 175.510 -0.021 0.000 1.190 492 N CA -0.518 52.522 53.050 -0.016 0.000 0.977 492 N CB 0.905 39.381 38.487 -0.017 0.000 1.200 492 N HN 0.399 nan 8.380 nan 0.000 0.515 493 K N 1.093 121.480 120.400 -0.021 0.000 2.336 493 K HA 0.197 4.567 4.320 0.084 0.000 0.290 493 K C -0.766 175.814 176.600 -0.033 0.000 1.067 493 K CA -0.211 56.060 56.287 -0.027 0.000 0.962 493 K CB -0.200 32.286 32.500 -0.024 0.000 1.008 493 K HN 0.331 nan 8.250 nan 0.000 0.467 494 V N 0.222 120.111 119.914 -0.041 0.000 3.007 494 V HA 0.495 4.666 4.120 0.084 0.000 0.311 494 V C -0.523 175.533 176.094 -0.062 0.000 1.120 494 V CA -1.331 60.940 62.300 -0.048 0.000 0.980 494 V CB 2.075 33.871 31.823 -0.046 0.000 1.033 494 V HN 0.622 nan 8.190 nan 0.000 0.429 495 R N 2.143 122.602 120.500 -0.069 0.000 2.471 495 R HA 0.588 4.978 4.340 0.084 0.000 0.292 495 R C -0.582 175.670 176.300 -0.081 0.000 1.192 495 R CA -0.150 55.896 56.100 -0.090 0.000 1.257 495 R CB 0.902 31.135 30.300 -0.111 0.000 1.130 495 R HN 0.951 nan 8.270 nan 0.000 0.558 496 E N 1.912 122.062 120.200 -0.084 0.000 2.321 496 E HA 0.249 4.649 4.350 0.084 0.000 0.278 496 E C -1.247 175.286 176.600 -0.111 0.000 0.902 496 E CA -1.036 55.317 56.400 -0.078 0.000 0.758 496 E CB 1.605 31.265 29.700 -0.066 0.000 1.213 496 E HN 0.099 nan 8.360 nan 0.000 0.426 497 R N 1.772 122.212 120.500 -0.100 0.000 2.438 497 R HA 0.205 4.596 4.340 0.084 0.000 0.287 497 R C -0.586 175.603 176.300 -0.184 0.000 1.077 497 R CA 0.074 56.078 56.100 -0.159 0.000 1.034 497 R CB 1.142 31.407 30.300 -0.057 0.000 0.993 497 R HN 0.398 nan 8.270 nan 0.000 0.459 498 S N 5.255 120.736 115.700 -0.365 0.000 2.533 498 S HA 0.125 4.645 4.470 0.084 0.000 0.282 498 S C -1.491 173.084 174.600 -0.041 0.000 1.304 498 S CA -1.235 56.837 58.200 -0.213 0.000 1.063 498 S CB 0.659 63.675 63.200 -0.308 0.000 0.881 498 S HN 0.552 nan 8.310 nan 0.000 0.493 499 P HA -0.150 nan 4.420 nan 0.000 0.217 499 P C 1.561 178.916 177.300 0.091 0.000 1.148 499 P CA 1.535 64.661 63.100 0.043 0.000 0.834 499 P CB -0.190 31.525 31.700 0.024 0.000 0.783 500 S N -2.208 113.584 115.700 0.153 0.000 2.469 500 S HA -0.126 4.395 4.470 0.084 0.000 0.238 500 S C 1.498 176.255 174.600 0.261 0.000 0.998 500 S CA 0.883 59.202 58.200 0.199 0.000 0.957 500 S CB -1.394 61.956 63.200 0.249 0.000 0.764 500 S HN -0.013 nan 8.310 nan 0.000 0.514 501 F N 2.223 122.158 119.950 -0.025 0.000 2.789 501 F HA 0.382 4.959 4.527 0.084 0.000 0.300 501 F C 1.937 177.651 175.800 -0.143 0.000 1.132 501 F CA -0.744 57.231 58.000 -0.042 0.000 1.404 501 F CB -0.555 38.454 39.000 0.016 0.000 1.114 501 F HN 0.339 nan 8.300 nan 0.000 0.584 502 G N 0.741 109.533 108.800 -0.013 0.000 3.401 502 G HA2 0.131 4.142 3.960 0.084 0.000 0.251 502 G HA3 0.131 4.142 3.960 0.084 0.000 0.251 502 G C -0.128 174.377 174.900 -0.658 0.000 0.960 502 G CA 0.131 45.045 45.100 -0.310 0.000 1.900 502 G HN 0.051 nan 8.290 nan 0.000 0.645 503 E N 0.362 120.049 120.200 -0.855 0.000 2.287 503 E HA 0.283 4.683 4.350 0.084 0.000 0.274 503 E C -0.973 175.206 176.600 -0.701 0.000 0.896 503 E CA -0.704 55.296 56.400 -0.667 0.000 0.788 503 E CB 1.492 31.046 29.700 -0.244 0.000 1.244 503 E HN 0.258 nan 8.360 nan 0.000 0.408 504 Y N 2.526 122.631 120.300 -0.326 0.000 2.471 504 Y HA 0.212 4.812 4.550 0.084 0.000 0.249 504 Y C 0.697 176.306 175.900 -0.485 0.000 1.116 504 Y CA -0.124 57.688 58.100 -0.481 0.000 1.240 504 Y CB 0.465 38.490 38.460 -0.725 0.000 1.251 504 Y HN 0.412 nan 8.280 nan 0.000 0.527 505 Y N -1.224 119.169 120.300 0.155 0.000 2.444 505 Y HA 0.085 4.686 4.550 0.085 0.000 0.252 505 Y C 2.366 178.331 175.900 0.109 0.000 1.091 505 Y CA 0.153 58.336 58.100 0.139 0.000 1.276 505 Y CB -0.174 38.374 38.460 0.147 0.000 1.170 505 Y HN 0.073 nan 8.280 nan 0.000 0.517 506 S N -0.971 114.869 115.700 0.233 0.000 2.387 506 S HA -0.162 4.358 4.470 0.084 0.000 0.226 506 S C 1.585 176.259 174.600 0.124 0.000 1.026 506 S CA 1.305 59.619 58.200 0.190 0.000 0.972 506 S CB -0.704 62.613 63.200 0.195 0.000 0.814 506 S HN 0.525 nan 8.310 nan 0.000 0.477 507 H N 2.445 121.430 119.070 -0.141 0.000 2.363 507 H HA 0.064 4.670 4.556 0.085 0.000 0.301 507 H C -0.557 174.554 175.328 -0.361 0.000 1.074 507 H CA 1.290 57.105 56.048 -0.388 0.000 1.354 507 H CB -1.233 28.065 29.762 -0.774 0.000 1.397 507 H HN 0.411 nan 8.280 nan 0.000 0.516 508 P HA -0.178 nan 4.420 nan 0.000 0.216 508 P C 1.642 179.111 177.300 0.282 0.000 1.153 508 P CA 1.472 64.705 63.100 0.223 0.000 0.858 508 P CB -0.115 31.747 31.700 0.271 0.000 0.789 509 R N -0.449 120.173 120.500 0.203 0.000 2.075 509 R HA -0.130 4.261 4.340 0.084 0.000 0.232 509 R C 2.174 178.594 176.300 0.199 0.000 1.126 509 R CA 1.176 57.402 56.100 0.210 0.000 0.963 509 R CB -1.106 29.284 30.300 0.150 0.000 0.858 509 R HN 0.055 nan 8.270 nan 0.000 0.435 510 L N 0.470 121.750 121.223 0.095 0.000 2.012 510 L HA -0.162 4.228 4.340 0.084 0.000 0.210 510 L C 2.026 178.942 176.870 0.077 0.000 1.073 510 L CA 1.783 56.641 54.840 0.031 0.000 0.748 510 L CB -0.764 41.236 42.059 -0.097 0.000 0.891 510 L HN 0.236 nan 8.230 nan 0.000 0.431 511 F N -0.572 119.391 119.950 0.022 0.000 2.069 511 F HA -0.294 4.284 4.527 0.085 0.000 0.298 511 F C 2.336 178.132 175.800 -0.008 0.000 1.113 511 F CA 2.284 60.276 58.000 -0.013 0.000 1.214 511 F CB -0.797 38.221 39.000 0.030 0.000 0.978 511 F HN 0.414 nan 8.300 nan 0.000 0.474 512 W N 1.358 122.639 121.300 -0.032 0.000 2.317 512 W HA -0.260 4.450 4.660 0.084 0.000 0.318 512 W C 1.765 178.163 176.519 -0.202 0.000 1.227 512 W CA 1.993 59.278 57.345 -0.100 0.000 1.269 512 W CB -0.789 28.698 29.460 0.045 0.000 1.155 512 W HN 0.083 nan 8.180 nan 0.000 0.484 513 L N 1.151 122.306 121.223 -0.112 0.000 2.465 513 L HA -0.128 4.262 4.340 0.084 0.000 0.224 513 L C 2.285 178.966 176.870 -0.316 0.000 1.145 513 L CA 0.890 55.581 54.840 -0.248 0.000 0.834 513 L CB -0.641 41.389 42.059 -0.048 0.000 0.944 513 L HN -0.135 nan 8.230 nan 0.000 0.451 514 S N -1.533 113.957 115.700 -0.351 0.000 2.548 514 S HA 0.073 4.593 4.470 0.084 0.000 0.215 514 S C 0.737 175.055 174.600 -0.470 0.000 0.976 514 S CA -0.022 57.972 58.200 -0.344 0.000 0.908 514 S CB 0.082 63.105 63.200 -0.295 0.000 0.781 514 S HN 0.293 nan 8.310 nan 0.000 0.519 515 Q N 2.208 121.628 119.800 -0.634 0.000 2.306 515 Q HA 0.266 4.656 4.340 0.084 0.000 0.241 515 Q C 0.641 176.261 176.000 -0.633 0.000 0.948 515 Q CA -0.084 55.313 55.803 -0.677 0.000 0.886 515 Q CB 0.275 28.548 28.738 -0.775 0.000 1.227 515 Q HN 0.420 nan 8.270 nan 0.000 0.457 516 T N -1.795 112.340 114.554 -0.698 0.000 2.748 516 T HA 0.123 4.524 4.350 0.084 0.000 0.304 516 T C -1.713 172.543 174.700 -0.739 0.000 1.041 516 T CA -1.244 60.402 62.100 -0.757 0.000 1.033 516 T CB 0.203 68.310 68.868 -1.268 0.000 0.995 516 T HN 0.233 nan 8.240 nan 0.000 0.536 517 P HA -0.036 nan 4.420 nan 0.000 0.215 517 P C 1.391 178.483 177.300 -0.347 0.000 1.153 517 P CA 1.091 63.975 63.100 -0.360 0.000 0.853 517 P CB -0.270 31.334 31.700 -0.159 0.000 0.788 518 F N -0.338 119.409 119.950 -0.339 0.000 2.325 518 F HA 0.095 4.672 4.527 0.084 0.000 0.299 518 F C 1.770 177.189 175.800 -0.634 0.000 1.090 518 F CA 0.709 58.440 58.000 -0.448 0.000 1.392 518 F CB -1.537 37.188 39.000 -0.458 0.000 1.053 518 F HN -0.093 nan 8.300 nan 0.000 0.521 519 E N 0.528 120.190 120.200 -0.896 0.000 2.107 519 E HA -0.169 4.231 4.350 0.084 0.000 0.191 519 E C 2.178 178.591 176.600 -0.312 0.000 0.982 519 E CA 1.102 57.183 56.400 -0.532 0.000 0.809 519 E CB -0.218 29.134 29.700 -0.580 0.000 0.756 519 E HN 0.611 nan 8.360 nan 0.000 0.459 520 Q N 0.410 119.950 119.800 -0.433 0.000 2.079 520 Q HA -0.155 4.236 4.340 0.084 0.000 0.200 520 Q C 2.284 178.307 176.000 0.040 0.000 0.974 520 Q CA 0.983 56.562 55.803 -0.373 0.000 0.840 520 Q CB -0.128 28.123 28.738 -0.812 0.000 0.898 520 Q HN 0.123 nan 8.270 nan 0.000 0.430 521 R N 0.236 120.730 120.500 -0.011 0.000 2.091 521 R HA -0.195 4.195 4.340 0.084 0.000 0.238 521 R C 1.774 178.242 176.300 0.280 0.000 1.136 521 R CA 1.763 57.947 56.100 0.140 0.000 0.959 521 R CB -0.212 30.142 30.300 0.090 0.000 0.856 521 R HN 0.505 nan 8.270 nan 0.000 0.437 522 H N -0.498 118.670 119.070 0.164 0.000 2.423 522 H HA -0.071 4.535 4.556 0.084 0.000 0.297 522 H C 2.213 177.664 175.328 0.204 0.000 1.075 522 H CA 1.219 57.379 56.048 0.186 0.000 1.342 522 H CB 0.049 29.927 29.762 0.193 0.000 1.395 522 H HN 0.235 nan 8.280 nan 0.000 0.530 523 I N 0.095 120.887 120.570 0.370 0.000 2.179 523 I HA -0.257 3.964 4.170 0.084 0.000 0.242 523 I C 2.325 178.737 176.117 0.492 0.000 1.088 523 I CA 0.794 62.353 61.300 0.431 0.000 1.357 523 I CB -0.176 38.173 38.000 0.583 0.000 1.051 523 I HN 0.077 nan 8.210 nan 0.000 0.409 524 V N 0.930 121.122 119.914 0.464 0.000 2.324 524 V HA -0.335 3.836 4.120 0.084 0.000 0.250 524 V C 2.083 178.358 176.094 0.301 0.000 1.060 524 V CA 2.135 64.655 62.300 0.367 0.000 1.042 524 V CB -0.678 31.318 31.823 0.288 0.000 0.650 524 V HN 0.422 nan 8.190 nan 0.000 0.450 525 D N 0.351 120.911 120.400 0.266 0.000 2.117 525 D HA -0.103 4.587 4.640 0.084 0.000 0.197 525 D C 2.188 178.574 176.300 0.142 0.000 0.987 525 D CA 1.599 55.723 54.000 0.207 0.000 0.829 525 D CB -0.656 40.273 40.800 0.215 0.000 0.961 525 D HN 0.472 nan 8.370 nan 0.000 0.460 526 G N -0.065 108.795 108.800 0.100 0.000 2.421 526 G HA2 -0.252 3.759 3.960 0.084 0.000 0.216 526 G HA3 -0.252 3.759 3.960 0.084 0.000 0.216 526 G C 1.496 176.391 174.900 -0.010 0.000 1.171 526 G CA 0.267 45.330 45.100 -0.063 0.000 0.775 526 G HN 0.177 nan 8.290 nan 0.000 0.543 527 F N 1.836 121.824 119.950 0.063 0.000 2.102 527 F HA -0.082 4.496 4.527 0.084 0.000 0.298 527 F C 3.184 178.908 175.800 -0.126 0.000 1.105 527 F CA 1.640 59.611 58.000 -0.050 0.000 1.239 527 F CB -0.392 38.581 39.000 -0.046 0.000 0.991 527 F HN 0.085 nan 8.300 nan 0.000 0.474 528 S N 0.003 115.803 115.700 0.167 0.000 2.359 528 S HA -0.237 4.283 4.470 0.084 0.000 0.224 528 S C 1.875 176.495 174.600 0.033 0.000 1.035 528 S CA 1.430 59.672 58.200 0.070 0.000 1.018 528 S CB -0.882 62.381 63.200 0.105 0.000 0.876 528 S HN 0.411 nan 8.310 nan 0.000 0.448 529 F N 2.553 122.470 119.950 -0.057 0.000 2.134 529 F HA -0.108 4.469 4.527 0.084 0.000 0.299 529 F C 2.313 178.056 175.800 -0.095 0.000 1.097 529 F CA 1.465 59.423 58.000 -0.069 0.000 1.264 529 F CB -0.249 38.664 39.000 -0.145 0.000 1.001 529 F HN 0.139 nan 8.300 nan 0.000 0.479 530 E N 0.586 120.766 120.200 -0.034 0.000 2.047 530 E HA -0.184 4.216 4.350 0.084 0.000 0.191 530 E C 2.348 178.750 176.600 -0.331 0.000 0.987 530 E CA 1.556 57.900 56.400 -0.095 0.000 0.799 530 E CB -0.545 29.249 29.700 0.156 0.000 0.752 530 E HN 0.464 nan 8.360 nan 0.000 0.449 531 L N 1.604 122.546 121.223 -0.469 0.000 2.275 531 L HA -0.126 4.264 4.340 0.084 0.000 0.215 531 L C 2.680 179.391 176.870 -0.265 0.000 1.119 531 L CA 1.036 55.596 54.840 -0.466 0.000 0.790 531 L CB -0.500 41.296 42.059 -0.438 0.000 0.919 531 L HN 0.143 nan 8.230 nan 0.000 0.443 532 S N -0.774 114.782 115.700 -0.240 0.000 2.447 532 S HA -0.093 4.427 4.470 0.084 0.000 0.233 532 S C 1.744 176.232 174.600 -0.188 0.000 1.006 532 S CA 0.534 58.619 58.200 -0.191 0.000 0.957 532 S CB -0.092 62.996 63.200 -0.185 0.000 0.773 532 S HN 0.304 nan 8.310 nan 0.000 0.507 533 K N 1.200 121.467 120.400 -0.222 0.000 2.404 533 K HA 0.316 4.687 4.320 0.084 0.000 0.194 533 K C -0.077 176.517 176.600 -0.010 0.000 1.023 533 K CA 0.011 56.226 56.287 -0.121 0.000 1.094 533 K CB 0.129 32.547 32.500 -0.137 0.000 0.841 533 K HN 0.314 nan 8.250 nan 0.000 0.523 534 V N 2.362 122.252 119.914 -0.040 0.000 2.427 534 V HA -0.008 4.163 4.120 0.084 0.000 0.268 534 V C 1.772 177.855 176.094 -0.017 0.000 1.046 534 V CA -0.063 62.243 62.300 0.009 0.000 0.970 534 V CB 1.240 33.041 31.823 -0.037 0.000 1.001 534 V HN -0.115 nan 8.190 nan 0.000 0.476 535 V N 5.140 125.064 119.914 0.017 0.000 2.427 535 V HA -0.074 4.097 4.120 0.084 0.000 0.248 535 V C 1.331 177.410 176.094 -0.026 0.000 1.051 535 V CA 1.363 63.667 62.300 0.007 0.000 1.048 535 V CB -0.510 31.334 31.823 0.035 0.000 0.666 535 V HN 0.758 nan 8.190 nan 0.000 0.456 536 R N 0.800 121.257 120.500 -0.072 0.000 2.210 536 R HA 0.196 4.587 4.340 0.084 0.000 0.338 536 R C -1.727 174.447 176.300 -0.210 0.000 1.062 536 R CA -1.484 54.538 56.100 -0.130 0.000 0.902 536 R CB 0.696 30.849 30.300 -0.246 0.000 1.050 536 R HN 0.233 nan 8.270 nan 0.000 0.461 537 P HA -0.206 nan 4.420 nan 0.000 0.216 537 P C 0.767 178.031 177.300 -0.062 0.000 1.150 537 P CA 1.171 64.240 63.100 -0.052 0.000 0.837 537 P CB -0.006 31.703 31.700 0.015 0.000 0.786 538 Y N -1.321 118.981 120.300 0.004 0.000 2.333 538 Y HA -0.082 4.519 4.550 0.084 0.000 0.290 538 Y C 1.937 177.845 175.900 0.014 0.000 1.144 538 Y CA 0.731 58.834 58.100 0.005 0.000 1.228 538 Y CB -1.743 36.719 38.460 0.005 0.000 0.985 538 Y HN -0.107 nan 8.280 nan 0.000 0.542 539 I N 0.786 120.933 120.570 -0.704 0.000 2.252 539 I HA -0.241 3.979 4.170 0.084 0.000 0.245 539 I C 2.546 178.585 176.117 -0.129 0.000 1.102 539 I CA 1.312 62.397 61.300 -0.359 0.000 1.385 539 I CB -0.415 37.357 38.000 -0.381 0.000 1.064 539 I HN 0.205 nan 8.210 nan 0.000 0.414 540 R N 0.739 121.152 120.500 -0.146 0.000 2.096 540 R HA -0.188 4.202 4.340 0.084 0.000 0.240 540 R C 2.179 178.438 176.300 -0.068 0.000 1.139 540 R CA 1.447 57.476 56.100 -0.118 0.000 0.952 540 R CB -0.429 29.802 30.300 -0.116 0.000 0.854 540 R HN 0.433 nan 8.270 nan 0.000 0.436 541 E N 0.590 120.771 120.200 -0.031 0.000 2.077 541 E HA -0.181 4.220 4.350 0.084 0.000 0.193 541 E C 2.117 178.728 176.600 0.019 0.000 0.989 541 E CA 1.082 57.483 56.400 0.002 0.000 0.800 541 E CB -0.090 29.633 29.700 0.037 0.000 0.746 541 E HN 0.354 nan 8.360 nan 0.000 0.452 542 R N 0.364 120.891 120.500 0.045 0.000 2.092 542 R HA -0.076 4.314 4.340 0.084 0.000 0.231 542 R C 2.489 178.818 176.300 0.048 0.000 1.119 542 R CA 0.850 56.986 56.100 0.061 0.000 0.970 542 R CB -0.223 30.133 30.300 0.093 0.000 0.864 542 R HN 0.006 nan 8.270 nan 0.000 0.440 543 V N 0.280 120.219 119.914 0.042 0.000 2.358 543 V HA -0.201 3.969 4.120 0.084 0.000 0.246 543 V C 2.283 178.371 176.094 -0.010 0.000 1.047 543 V CA 1.461 63.800 62.300 0.065 0.000 1.035 543 V CB -0.277 31.595 31.823 0.081 0.000 0.658 543 V HN 0.119 nan 8.190 nan 0.000 0.452 544 V N 0.562 120.444 119.914 -0.053 0.000 2.287 544 V HA -0.349 3.822 4.120 0.084 0.000 0.248 544 V C 2.354 178.416 176.094 -0.053 0.000 1.053 544 V CA 2.595 64.841 62.300 -0.090 0.000 1.027 544 V CB -0.704 31.070 31.823 -0.082 0.000 0.646 544 V HN 0.666 nan 8.190 nan 0.000 0.447 545 D N -0.908 119.492 120.400 -0.001 0.000 2.133 545 D HA -0.212 4.479 4.640 0.084 0.000 0.195 545 D C 2.268 178.643 176.300 0.126 0.000 0.997 545 D CA 1.331 55.364 54.000 0.054 0.000 0.840 545 D CB -0.062 40.781 40.800 0.073 0.000 0.947 545 D HN 0.337 nan 8.370 nan 0.000 0.452 546 Q N -0.206 119.639 119.800 0.075 0.000 2.084 546 Q HA -0.103 4.287 4.340 0.084 0.000 0.202 546 Q C 2.609 178.651 176.000 0.071 0.000 0.978 546 Q CA 0.788 56.645 55.803 0.090 0.000 0.844 546 Q CB -0.429 28.379 28.738 0.117 0.000 0.898 546 Q HN 0.463 nan 8.270 nan 0.000 0.426 547 L N 0.101 121.298 121.223 -0.043 0.000 2.131 547 L HA -0.138 4.253 4.340 0.084 0.000 0.210 547 L C 2.343 179.115 176.870 -0.162 0.000 1.092 547 L CA 0.953 55.692 54.840 -0.168 0.000 0.759 547 L CB -0.698 41.143 42.059 -0.362 0.000 0.903 547 L HN 0.086 nan 8.230 nan 0.000 0.435 548 A N -0.678 122.074 122.820 -0.114 0.000 2.121 548 A HA -0.193 4.177 4.320 0.084 0.000 0.218 548 A C 1.756 179.183 177.584 -0.261 0.000 1.154 548 A CA 1.248 53.183 52.037 -0.171 0.000 0.679 548 A CB -0.709 18.195 19.000 -0.159 0.000 0.795 548 A HN 0.445 nan 8.150 nan 0.000 0.458 549 H N -1.126 117.751 119.070 -0.321 0.000 2.548 549 H HA 0.246 4.852 4.556 0.085 0.000 0.268 549 H C 1.590 176.661 175.328 -0.428 0.000 0.975 549 H CA 1.006 56.726 56.048 -0.547 0.000 1.195 549 H CB 0.047 29.046 29.762 -1.272 0.000 1.397 549 H HN 0.508 nan 8.280 nan 0.000 0.572 550 I N -1.160 119.331 120.570 -0.132 0.000 2.681 550 I HA 0.081 4.301 4.170 0.084 0.000 0.247 550 I C -0.125 175.928 176.117 -0.106 0.000 1.091 550 I CA 0.459 61.740 61.300 -0.031 0.000 1.442 550 I CB 0.627 38.630 38.000 0.005 0.000 1.219 550 I HN 0.094 nan 8.210 nan 0.000 0.451 551 D N -0.991 119.276 120.400 -0.222 0.000 2.931 551 D HA 0.232 4.923 4.640 0.084 0.000 0.215 551 D C 0.097 176.246 176.300 -0.251 0.000 1.297 551 D CA -0.428 53.428 54.000 -0.240 0.000 0.892 551 D CB 1.463 41.991 40.800 -0.454 0.000 1.642 551 D HN -0.185 nan 8.370 nan 0.000 0.560 552 L N 2.395 123.529 121.223 -0.149 0.000 2.141 552 L HA 0.008 4.398 4.340 0.084 0.000 0.209 552 L C 2.232 179.033 176.870 -0.116 0.000 1.094 552 L CA 1.740 56.502 54.840 -0.131 0.000 0.763 552 L CB -0.882 41.127 42.059 -0.084 0.000 0.908 552 L HN 0.642 nan 8.230 nan 0.000 0.437 553 T N -0.469 114.046 114.554 -0.065 0.000 2.708 553 T HA -0.195 4.205 4.350 0.084 0.000 0.266 553 T C 1.853 176.503 174.700 -0.084 0.000 1.037 553 T CA 1.462 63.566 62.100 0.007 0.000 1.146 553 T CB -0.383 68.583 68.868 0.163 0.000 0.865 553 T HN 0.191 nan 8.240 nan 0.000 0.435 554 L N 1.744 122.755 121.223 -0.353 0.000 1.989 554 L HA -0.029 4.361 4.340 0.084 0.000 0.211 554 L C 2.626 179.267 176.870 -0.381 0.000 1.071 554 L CA 2.203 56.655 54.840 -0.646 0.000 0.749 554 L CB -1.199 40.066 42.059 -1.322 0.000 0.890 554 L HN 0.225 nan 8.230 nan 0.000 0.431 555 A N -1.158 121.460 122.820 -0.336 0.000 1.883 555 A HA -0.277 4.094 4.320 0.084 0.000 0.217 555 A C 2.225 179.711 177.584 -0.163 0.000 1.186 555 A CA 1.987 53.874 52.037 -0.250 0.000 0.624 555 A CB -0.706 18.168 19.000 -0.210 0.000 0.822 555 A HN 0.703 nan 8.150 nan 0.000 0.444 556 Q N -0.923 118.806 119.800 -0.119 0.000 2.124 556 Q HA -0.094 4.297 4.340 0.084 0.000 0.202 556 Q C 2.414 178.389 176.000 -0.043 0.000 0.977 556 Q CA 1.248 57.011 55.803 -0.067 0.000 0.850 556 Q CB -0.336 28.377 28.738 -0.043 0.000 0.901 556 Q HN 0.706 nan 8.270 nan 0.000 0.429 557 A N 0.173 122.972 122.820 -0.036 0.000 1.898 557 A HA -0.110 4.261 4.320 0.084 0.000 0.216 557 A C 2.285 179.870 177.584 0.001 0.000 1.181 557 A CA 1.144 53.188 52.037 0.011 0.000 0.620 557 A CB -0.514 18.523 19.000 0.062 0.000 0.819 557 A HN 0.198 nan 8.150 nan 0.000 0.442 558 V N -0.037 119.847 119.914 -0.049 0.000 2.307 558 V HA -0.214 3.956 4.120 0.084 0.000 0.245 558 V C 3.055 179.118 176.094 -0.052 0.000 1.045 558 V CA 1.810 64.079 62.300 -0.051 0.000 1.024 558 V CB -1.325 30.410 31.823 -0.147 0.000 0.651 558 V HN 0.594 nan 8.190 nan 0.000 0.449 559 A N -0.108 122.669 122.820 -0.071 0.000 1.908 559 A HA -0.301 4.069 4.320 0.084 0.000 0.218 559 A C 2.369 179.936 177.584 -0.028 0.000 1.181 559 A CA 2.344 54.348 52.037 -0.054 0.000 0.627 559 A CB -0.550 18.417 19.000 -0.055 0.000 0.818 559 A HN 0.512 nan 8.150 nan 0.000 0.445 560 K N -0.473 119.917 120.400 -0.016 0.000 2.097 560 K HA -0.180 4.190 4.320 0.084 0.000 0.206 560 K C 1.343 177.948 176.600 0.009 0.000 1.049 560 K CA 1.534 57.821 56.287 0.001 0.000 0.933 560 K CB -0.230 32.276 32.500 0.011 0.000 0.717 560 K HN 0.429 nan 8.250 nan 0.000 0.442 561 N N 0.769 119.477 118.700 0.015 0.000 2.453 561 N HA -0.091 4.699 4.740 0.084 0.000 0.183 561 N C 1.304 176.818 175.510 0.006 0.000 1.041 561 N CA 0.767 53.831 53.050 0.025 0.000 0.900 561 N CB 0.112 38.626 38.487 0.045 0.000 0.961 561 N HN 0.281 nan 8.380 nan 0.000 0.443 562 L N -1.005 120.210 121.223 -0.013 0.000 2.640 562 L HA 0.253 4.643 4.340 0.084 0.000 0.230 562 L C 0.957 177.815 176.870 -0.019 0.000 1.123 562 L CA -0.038 54.785 54.840 -0.027 0.000 0.900 562 L CB 0.038 42.066 42.059 -0.051 0.000 1.146 562 L HN 0.078 nan 8.230 nan 0.000 0.484 563 G N 1.557 110.351 108.800 -0.010 0.000 2.176 563 G HA2 -0.285 3.726 3.960 0.084 0.000 0.252 563 G HA3 -0.285 3.726 3.960 0.084 0.000 0.252 563 G C 0.041 174.935 174.900 -0.010 0.000 1.024 563 G CA 0.077 45.173 45.100 -0.006 0.000 0.755 563 G HN 0.311 nan 8.290 nan 0.000 0.507 564 I N 0.032 120.592 120.570 -0.016 0.000 2.460 564 I HA 0.541 4.762 4.170 0.084 0.000 0.298 564 I C 0.181 176.287 176.117 -0.019 0.000 0.989 564 I CA -0.916 60.373 61.300 -0.019 0.000 1.173 564 I CB 1.814 39.797 38.000 -0.029 0.000 1.338 564 I HN 0.266 nan 8.210 nan 0.000 0.456 565 E N 6.947 127.138 120.200 -0.016 0.000 2.176 565 E HA 0.448 4.848 4.350 0.084 0.000 0.267 565 E C -1.344 175.243 176.600 -0.021 0.000 0.893 565 E CA -0.573 55.817 56.400 -0.017 0.000 0.761 565 E CB 1.187 30.880 29.700 -0.011 0.000 1.133 565 E HN 0.455 nan 8.360 nan 0.000 0.409 566 L N 3.689 124.894 121.223 -0.029 0.000 2.461 566 L HA 0.207 4.598 4.340 0.084 0.000 0.272 566 L C 1.021 177.874 176.870 -0.028 0.000 1.197 566 L CA -0.133 54.686 54.840 -0.035 0.000 0.836 566 L CB 0.504 42.534 42.059 -0.049 0.000 1.105 566 L HN 0.799 nan 8.230 nan 0.000 0.477 567 T N -2.371 112.167 114.554 -0.028 0.000 2.754 567 T HA 0.073 4.474 4.350 0.084 0.000 0.286 567 T C 0.656 175.338 174.700 -0.030 0.000 0.997 567 T CA -0.621 61.465 62.100 -0.024 0.000 0.982 567 T CB 0.948 69.806 68.868 -0.018 0.000 1.027 567 T HN 0.525 nan 8.240 nan 0.000 0.529 568 D N -0.049 120.336 120.400 -0.025 0.000 2.144 568 D HA -0.048 4.643 4.640 0.084 0.000 0.200 568 D C 1.849 178.127 176.300 -0.037 0.000 0.978 568 D CA 1.048 55.031 54.000 -0.028 0.000 0.833 568 D CB -0.155 40.632 40.800 -0.021 0.000 0.961 568 D HN 0.591 nan 8.370 nan 0.000 0.470 569 D N 0.335 120.713 120.400 -0.036 0.000 2.117 569 D HA -0.146 4.544 4.640 0.084 0.000 0.197 569 D C 1.949 178.205 176.300 -0.072 0.000 0.987 569 D CA 0.784 54.758 54.000 -0.045 0.000 0.829 569 D CB -0.109 40.673 40.800 -0.030 0.000 0.961 569 D HN 0.361 nan 8.370 nan 0.000 0.460 570 Q N 0.269 120.028 119.800 -0.070 0.000 2.124 570 Q HA -0.074 4.316 4.340 0.084 0.000 0.202 570 Q C 2.527 178.460 176.000 -0.113 0.000 0.977 570 Q CA 0.672 56.415 55.803 -0.101 0.000 0.850 570 Q CB -0.064 28.630 28.738 -0.073 0.000 0.901 570 Q HN 0.303 nan 8.270 nan 0.000 0.429 571 L N 0.639 121.813 121.223 -0.081 0.000 2.275 571 L HA -0.135 4.255 4.340 0.084 0.000 0.215 571 L C 1.308 178.132 176.870 -0.077 0.000 1.119 571 L CA 0.600 55.396 54.840 -0.073 0.000 0.790 571 L CB -0.146 41.882 42.059 -0.050 0.000 0.919 571 L HN 0.226 nan 8.230 nan 0.000 0.443 572 N N -0.021 118.631 118.700 -0.080 0.000 2.238 572 N HA 0.240 5.031 4.740 0.084 0.000 0.222 572 N C 0.230 175.679 175.510 -0.102 0.000 1.133 572 N CA 0.004 53.009 53.050 -0.076 0.000 0.854 572 N CB 0.764 39.218 38.487 -0.054 0.000 1.041 572 N HN 0.249 nan 8.380 nan 0.000 0.510 573 I N 1.813 122.289 120.570 -0.157 0.000 2.598 573 I HA -0.047 4.174 4.170 0.084 0.000 0.284 573 I C 0.584 176.600 176.117 -0.168 0.000 1.140 573 I CA 0.362 61.529 61.300 -0.222 0.000 1.420 573 I CB 0.396 38.143 38.000 -0.422 0.000 1.387 573 I HN -0.149 nan 8.210 nan 0.000 0.553 574 T N 8.428 122.909 114.554 -0.122 0.000 2.888 574 T HA 0.127 4.528 4.350 0.084 0.000 0.301 574 T C -1.946 172.706 174.700 -0.080 0.000 1.001 574 T CA -0.760 61.295 62.100 -0.075 0.000 1.147 574 T CB 0.052 68.897 68.868 -0.038 0.000 0.931 574 T HN 0.447 nan 8.240 nan 0.000 0.541 575 P HA 0.196 nan 4.420 nan 0.000 0.269 575 P C -2.440 174.867 177.300 0.012 0.000 1.209 575 P CA -1.354 61.728 63.100 -0.031 0.000 0.776 575 P CB -0.267 31.427 31.700 -0.010 0.000 0.876 576 P HA 0.236 nan 4.420 nan 0.000 0.272 576 P C -2.470 174.882 177.300 0.087 0.000 1.240 576 P CA -1.301 61.861 63.100 0.103 0.000 0.791 576 P CB -0.961 30.853 31.700 0.190 0.000 0.978 577 P HA 0.160 nan 4.420 nan 0.000 0.272 577 P C -0.227 177.122 177.300 0.083 0.000 1.240 577 P CA 0.027 63.174 63.100 0.078 0.000 0.791 577 P CB 0.190 31.937 31.700 0.079 0.000 0.978 578 D N -0.487 119.954 120.400 0.068 0.000 2.363 578 D HA 0.087 4.777 4.640 0.084 0.000 0.240 578 D C -0.167 176.182 176.300 0.082 0.000 1.236 578 D CA 0.043 54.080 54.000 0.061 0.000 0.927 578 D CB 0.261 41.091 40.800 0.050 0.000 1.150 578 D HN -0.042 nan 8.370 nan 0.000 0.458 579 V N 2.039 121.992 119.914 0.064 0.000 2.320 579 V HA 0.091 4.261 4.120 0.084 0.000 0.265 579 V C 0.198 176.387 176.094 0.159 0.000 1.048 579 V CA -0.434 61.935 62.300 0.115 0.000 0.865 579 V CB -0.494 31.308 31.823 -0.035 0.000 1.043 579 V HN 0.597 nan 8.190 nan 0.000 0.474 580 N N 4.294 123.103 118.700 0.182 0.000 2.727 580 N HA -0.226 4.565 4.740 0.084 0.000 0.249 580 N C 1.147 176.718 175.510 0.102 0.000 1.048 580 N CA 0.896 54.037 53.050 0.150 0.000 0.714 580 N CB -0.854 37.767 38.487 0.224 0.000 0.959 580 N HN 1.261 nan 8.380 nan 0.000 0.544 581 G N -1.804 107.043 108.800 0.078 0.000 2.179 581 G HA2 -0.326 3.684 3.960 0.084 0.000 0.260 581 G HA3 -0.326 3.684 3.960 0.084 0.000 0.260 581 G C 0.104 175.033 174.900 0.049 0.000 0.977 581 G CA 0.357 45.490 45.100 0.055 0.000 0.641 581 G HN 0.389 nan 8.290 nan 0.000 0.533 582 L N 0.153 121.409 121.223 0.055 0.000 2.331 582 L HA 0.428 4.818 4.340 0.084 0.000 0.278 582 L C 1.435 178.318 176.870 0.021 0.000 1.106 582 L CA -0.349 54.512 54.840 0.036 0.000 0.824 582 L CB 1.151 43.230 42.059 0.034 0.000 1.142 582 L HN 0.044 nan 8.230 nan 0.000 0.443 583 K N 2.927 123.334 120.400 0.012 0.000 2.358 583 K HA 0.154 4.524 4.320 0.084 0.000 0.200 583 K C -0.421 176.170 176.600 -0.015 0.000 1.030 583 K CA 0.030 56.321 56.287 0.005 0.000 1.097 583 K CB 0.511 33.014 32.500 0.005 0.000 0.862 583 K HN 0.582 nan 8.250 nan 0.000 0.534 584 K N -0.122 120.265 120.400 -0.023 0.000 2.774 584 K HA 0.193 4.564 4.320 0.084 0.000 0.283 584 K C -2.306 174.273 176.600 -0.034 0.000 1.050 584 K CA -0.897 55.360 56.287 -0.050 0.000 0.872 584 K CB 1.239 33.692 32.500 -0.078 0.000 1.434 584 K HN -0.224 nan 8.250 nan 0.000 0.372 585 D N 2.339 122.713 120.400 -0.043 0.000 2.479 585 D HA 0.301 4.992 4.640 0.084 0.000 0.246 585 D C -2.091 174.190 176.300 -0.032 0.000 1.336 585 D CA -2.073 51.920 54.000 -0.011 0.000 0.967 585 D CB 2.148 42.962 40.800 0.025 0.000 1.275 585 D HN 0.305 nan 8.370 nan 0.000 0.577 586 P HA -0.087 nan 4.420 nan 0.000 0.225 586 P C 1.262 178.554 177.300 -0.013 0.000 1.148 586 P CA 0.673 63.744 63.100 -0.050 0.000 0.779 586 P CB 0.114 31.793 31.700 -0.035 0.000 0.780 587 S N -0.893 114.832 115.700 0.041 0.000 2.507 587 S HA -0.047 4.474 4.470 0.084 0.000 0.235 587 S C 1.688 176.373 174.600 0.141 0.000 0.988 587 S CA 0.635 58.897 58.200 0.102 0.000 0.944 587 S CB -1.396 61.886 63.200 0.138 0.000 0.762 587 S HN 0.135 nan 8.310 nan 0.000 0.526 588 L N 1.286 122.553 121.223 0.074 0.000 2.492 588 L HA 0.218 4.609 4.340 0.084 0.000 0.223 588 L C 1.395 178.165 176.870 -0.167 0.000 1.132 588 L CA 0.127 55.004 54.840 0.063 0.000 0.850 588 L CB -0.205 41.860 42.059 0.011 0.000 0.966 588 L HN 0.348 nan 8.230 nan 0.000 0.454 589 S N -0.525 115.062 115.700 -0.189 0.000 2.585 589 S HA 0.319 4.840 4.470 0.084 0.000 0.277 589 S C 1.027 175.517 174.600 -0.185 0.000 1.241 589 S CA -0.667 57.367 58.200 -0.276 0.000 1.041 589 S CB 1.502 64.529 63.200 -0.287 0.000 0.987 589 S HN 0.159 nan 8.310 nan 0.000 0.512 590 L N 2.953 123.991 121.223 -0.309 0.000 2.156 590 L HA 0.029 4.419 4.340 0.084 0.000 0.208 590 L C 0.772 177.383 176.870 -0.432 0.000 1.095 590 L CA 1.109 55.673 54.840 -0.460 0.000 0.770 590 L CB -0.236 41.257 42.059 -0.943 0.000 0.914 590 L HN 0.775 nan 8.230 nan 0.000 0.439 591 Y N -2.445 117.860 120.300 0.009 0.000 2.471 591 Y HA 0.328 4.929 4.550 0.085 0.000 0.249 591 Y C 2.084 178.008 175.900 0.039 0.000 1.116 591 Y CA -0.182 57.970 58.100 0.087 0.000 1.240 591 Y CB -0.423 38.129 38.460 0.153 0.000 1.251 591 Y HN -0.052 nan 8.280 nan 0.000 0.527 592 A N 0.684 123.535 122.820 0.051 0.000 1.940 592 A HA -0.059 4.312 4.320 0.084 0.000 0.219 592 A C 0.971 178.592 177.584 0.063 0.000 1.176 592 A CA 1.119 53.162 52.037 0.010 0.000 0.631 592 A CB -0.586 18.365 19.000 -0.081 0.000 0.814 592 A HN 0.250 nan 8.150 nan 0.000 0.446 593 I N 1.525 122.138 120.570 0.072 0.000 2.330 593 I HA 0.231 4.452 4.170 0.084 0.000 0.286 593 I C -2.482 173.706 176.117 0.118 0.000 1.025 593 I CA -2.132 59.217 61.300 0.081 0.000 1.197 593 I CB 1.203 39.238 38.000 0.059 0.000 1.358 593 I HN 0.055 nan 8.210 nan 0.000 0.467 594 P HA 0.028 nan 4.420 nan 0.000 0.264 594 P C -0.306 177.067 177.300 0.122 0.000 1.183 594 P CA 0.323 63.515 63.100 0.153 0.000 0.763 594 P CB 0.574 32.353 31.700 0.131 0.000 0.807 595 D N 0.356 120.836 120.400 0.133 0.000 2.704 595 D HA 0.081 4.772 4.640 0.084 0.000 0.291 595 D C 0.486 176.844 176.300 0.096 0.000 1.610 595 D CA -0.377 53.684 54.000 0.101 0.000 0.807 595 D CB -0.580 40.278 40.800 0.095 0.000 1.233 595 D HN 0.333 nan 8.370 nan 0.000 0.445 596 G N 0.397 109.266 108.800 0.114 0.000 2.334 596 G HA2 0.342 4.352 3.960 0.084 0.000 0.261 596 G HA3 0.342 4.352 3.960 0.084 0.000 0.261 596 G C -0.621 174.319 174.900 0.067 0.000 1.257 596 G CA -0.018 45.145 45.100 0.104 0.000 0.935 596 G HN 0.125 nan 8.290 nan 0.000 0.480 597 D N 1.135 121.565 120.400 0.050 0.000 2.362 597 D HA 0.296 4.987 4.640 0.084 0.000 0.247 597 D C 1.116 177.430 176.300 0.024 0.000 1.050 597 D CA -0.665 53.352 54.000 0.027 0.000 0.839 597 D CB 2.212 43.021 40.800 0.014 0.000 1.283 597 D HN 0.254 nan 8.370 nan 0.000 0.477 598 V N 1.227 121.146 119.914 0.009 0.000 3.644 598 V HA 0.273 4.444 4.120 0.084 0.000 0.267 598 V C 0.932 177.011 176.094 -0.025 0.000 1.277 598 V CA -0.099 62.203 62.300 0.004 0.000 1.096 598 V CB -0.582 31.239 31.823 -0.003 0.000 0.828 598 V HN 0.417 nan 8.190 nan 0.000 0.446 599 K N 1.465 121.841 120.400 -0.040 0.000 2.472 599 K HA 0.377 4.747 4.320 0.084 0.000 0.280 599 K C 1.233 177.794 176.600 -0.065 0.000 1.028 599 K CA 1.210 57.450 56.287 -0.078 0.000 1.045 599 K CB 0.089 32.547 32.500 -0.071 0.000 0.902 599 K HN 0.758 nan 8.250 nan 0.000 0.478 600 G N 3.298 112.032 108.800 -0.110 0.000 2.213 600 G HA2 -0.210 3.801 3.960 0.084 0.000 0.236 600 G HA3 -0.210 3.801 3.960 0.084 0.000 0.236 600 G C 0.063 175.016 174.900 0.089 0.000 0.991 600 G CA -0.250 44.860 45.100 0.017 0.000 0.629 600 G HN 0.581 nan 8.290 nan 0.000 0.517 601 R N -0.069 120.453 120.500 0.035 0.000 2.726 601 R HA 0.670 5.061 4.340 0.084 0.000 0.272 601 R C -0.024 176.341 176.300 0.108 0.000 1.097 601 R CA -0.024 56.125 56.100 0.082 0.000 1.198 601 R CB 1.022 31.360 30.300 0.064 0.000 1.114 601 R HN 0.629 nan 8.270 nan 0.000 0.550 602 V N 0.493 120.484 119.914 0.128 0.000 2.789 602 V HA 0.440 4.610 4.120 0.084 0.000 0.311 602 V C -1.072 175.088 176.094 0.109 0.000 1.073 602 V CA -0.756 61.632 62.300 0.146 0.000 0.921 602 V CB 2.445 34.374 31.823 0.177 0.000 1.009 602 V HN 0.363 nan 8.190 nan 0.000 0.426 603 V N 5.747 125.720 119.914 0.099 0.000 2.495 603 V HA 0.786 4.956 4.120 0.084 0.000 0.298 603 V C 0.476 176.624 176.094 0.089 0.000 1.031 603 V CA -0.208 62.139 62.300 0.079 0.000 0.871 603 V CB 1.660 33.517 31.823 0.057 0.000 0.988 603 V HN 1.169 nan 8.190 nan 0.000 0.432 604 A N 6.034 128.913 122.820 0.099 0.000 2.363 604 A HA 0.766 5.136 4.320 0.084 0.000 0.270 604 A C -0.427 177.175 177.584 0.031 0.000 1.121 604 A CA -0.211 51.876 52.037 0.082 0.000 0.800 604 A CB 0.117 19.191 19.000 0.123 0.000 1.052 604 A HN 0.773 nan 8.150 nan 0.000 0.493 605 I N 3.421 124.004 120.570 0.022 0.000 2.382 605 I HA 0.193 4.414 4.170 0.084 0.000 0.285 605 I C -0.685 175.447 176.117 0.026 0.000 1.007 605 I CA -0.187 61.128 61.300 0.024 0.000 1.142 605 I CB 1.318 39.342 38.000 0.040 0.000 1.289 605 I HN 0.494 nan 8.210 nan 0.000 0.453 606 L N 7.235 128.462 121.223 0.006 0.000 2.295 606 L HA 0.400 4.790 4.340 0.084 0.000 0.288 606 L C 0.075 177.044 176.870 0.165 0.000 1.079 606 L CA -0.312 54.586 54.840 0.097 0.000 0.830 606 L CB 0.089 42.070 42.059 -0.130 0.000 1.200 606 L HN 0.437 nan 8.230 nan 0.000 0.438 607 L N 3.552 124.918 121.223 0.239 0.000 2.466 607 L HA 0.315 4.706 4.340 0.084 0.000 0.257 607 L C 0.155 177.204 176.870 0.298 0.000 1.189 607 L CA -0.371 54.569 54.840 0.166 0.000 0.813 607 L CB 0.915 42.985 42.059 0.019 0.000 1.118 607 L HN 0.716 nan 8.230 nan 0.000 0.471 608 N N -2.070 116.714 118.700 0.140 0.000 2.761 608 N HA 0.219 5.009 4.740 0.084 0.000 0.283 608 N C -0.394 175.109 175.510 -0.012 0.000 1.377 608 N CA -0.755 52.422 53.050 0.211 0.000 0.791 608 N CB 0.645 39.240 38.487 0.179 0.000 1.540 608 N HN 0.521 nan 8.380 nan 0.000 0.539 609 D N -2.053 118.379 120.400 0.053 0.000 2.363 609 D HA -0.001 4.689 4.640 0.084 0.000 0.226 609 D C -0.213 176.061 176.300 -0.043 0.000 1.020 609 D CA 0.683 54.651 54.000 -0.054 0.000 0.892 609 D CB -0.005 40.822 40.800 0.045 0.000 0.900 609 D HN 0.669 nan 8.370 nan 0.000 0.531 610 E N 0.385 120.575 120.200 -0.017 0.000 3.909 610 E HA 0.208 4.608 4.350 0.084 0.000 0.236 610 E C -1.173 175.417 176.600 -0.017 0.000 1.222 610 E CA -0.481 55.908 56.400 -0.019 0.000 1.205 610 E CB 0.552 30.248 29.700 -0.006 0.000 1.249 610 E HN -0.083 nan 8.360 nan 0.000 0.411 611 V N 1.937 121.832 119.914 -0.030 0.000 2.617 611 V HA 0.011 4.181 4.120 0.084 0.000 0.304 611 V C 0.901 176.980 176.094 -0.025 0.000 1.040 611 V CA 0.328 62.614 62.300 -0.023 0.000 1.149 611 V CB 0.545 32.346 31.823 -0.036 0.000 0.914 611 V HN 0.438 nan 8.190 nan 0.000 0.487 612 R N 3.747 124.234 120.500 -0.022 0.000 2.309 612 R HA 0.114 4.505 4.340 0.084 0.000 0.331 612 R C 1.615 177.895 176.300 -0.034 0.000 1.116 612 R CA 0.477 56.559 56.100 -0.029 0.000 0.970 612 R CB 0.346 30.625 30.300 -0.035 0.000 1.024 612 R HN 0.993 nan 8.270 nan 0.000 0.472 613 S N 3.103 118.785 115.700 -0.031 0.000 2.440 613 S HA -0.215 4.305 4.470 0.084 0.000 0.238 613 S C 1.878 176.459 174.600 -0.032 0.000 1.010 613 S CA 0.946 59.128 58.200 -0.029 0.000 0.972 613 S CB -0.062 63.122 63.200 -0.026 0.000 0.774 613 S HN 0.694 nan 8.310 nan 0.000 0.501 614 A N 2.302 125.099 122.820 -0.037 0.000 1.902 614 A HA -0.102 4.269 4.320 0.084 0.000 0.217 614 A C 1.986 179.536 177.584 -0.056 0.000 1.181 614 A CA 1.643 53.654 52.037 -0.042 0.000 0.623 614 A CB -0.821 18.152 19.000 -0.044 0.000 0.818 614 A HN 0.519 nan 8.150 nan 0.000 0.443 615 D N -0.143 120.214 120.400 -0.072 0.000 2.097 615 D HA -0.127 4.564 4.640 0.084 0.000 0.195 615 D C 1.927 178.190 176.300 -0.061 0.000 0.989 615 D CA 0.763 54.703 54.000 -0.101 0.000 0.827 615 D CB -0.429 40.300 40.800 -0.119 0.000 0.966 615 D HN 0.253 nan 8.370 nan 0.000 0.456 616 L N 0.686 121.886 121.223 -0.038 0.000 2.042 616 L HA -0.155 4.236 4.340 0.084 0.000 0.210 616 L C 2.316 179.180 176.870 -0.010 0.000 1.076 616 L CA 1.061 55.891 54.840 -0.017 0.000 0.749 616 L CB -0.646 41.404 42.059 -0.016 0.000 0.893 616 L HN 0.082 nan 8.230 nan 0.000 0.432 617 L N 0.441 121.655 121.223 -0.016 0.000 1.990 617 L HA -0.193 4.197 4.340 0.084 0.000 0.213 617 L C 2.703 179.569 176.870 -0.006 0.000 1.072 617 L CA 2.353 57.187 54.840 -0.011 0.000 0.755 617 L CB -0.930 41.120 42.059 -0.015 0.000 0.889 617 L HN 0.271 nan 8.230 nan 0.000 0.432 618 A N -0.770 122.041 122.820 -0.014 0.000 1.933 618 A HA -0.189 4.182 4.320 0.084 0.000 0.218 618 A C 2.270 179.865 177.584 0.019 0.000 1.175 618 A CA 2.072 54.106 52.037 -0.005 0.000 0.628 618 A CB -0.846 18.136 19.000 -0.029 0.000 0.814 618 A HN 0.518 nan 8.150 nan 0.000 0.444 619 I N -0.305 120.278 120.570 0.021 0.000 2.113 619 I HA -0.259 3.962 4.170 0.084 0.000 0.238 619 I C 2.380 178.524 176.117 0.045 0.000 1.070 619 I CA 1.296 62.631 61.300 0.058 0.000 1.332 619 I CB -0.351 37.687 38.000 0.063 0.000 1.044 619 I HN 0.281 nan 8.210 nan 0.000 0.402 620 L N 0.604 121.845 121.223 0.030 0.000 2.083 620 L HA -0.235 4.156 4.340 0.084 0.000 0.209 620 L C 2.627 179.508 176.870 0.020 0.000 1.083 620 L CA 1.370 56.226 54.840 0.026 0.000 0.752 620 L CB -0.735 41.337 42.059 0.021 0.000 0.899 620 L HN 0.311 nan 8.230 nan 0.000 0.433 621 K N 0.910 121.320 120.400 0.016 0.000 2.025 621 K HA -0.179 4.192 4.320 0.084 0.000 0.207 621 K C 2.157 178.764 176.600 0.013 0.000 1.049 621 K CA 1.432 57.726 56.287 0.012 0.000 0.933 621 K CB -0.074 32.432 32.500 0.009 0.000 0.714 621 K HN 0.227 nan 8.250 nan 0.000 0.438 622 A N 1.655 124.488 122.820 0.022 0.000 1.898 622 A HA -0.081 4.289 4.320 0.084 0.000 0.216 622 A C 2.196 179.787 177.584 0.012 0.000 1.181 622 A CA 1.194 53.245 52.037 0.023 0.000 0.620 622 A CB -0.550 18.477 19.000 0.045 0.000 0.819 622 A HN 0.330 nan 8.150 nan 0.000 0.442 623 L N -0.661 120.571 121.223 0.014 0.000 2.017 623 L HA -0.188 4.202 4.340 0.084 0.000 0.208 623 L C 2.645 179.499 176.870 -0.028 0.000 1.073 623 L CA 1.904 56.742 54.840 -0.003 0.000 0.745 623 L CB -0.482 41.582 42.059 0.009 0.000 0.894 623 L HN 0.451 nan 8.230 nan 0.000 0.432 624 K N 0.569 120.960 120.400 -0.014 0.000 2.103 624 K HA -0.197 4.173 4.320 0.084 0.000 0.207 624 K C 2.073 178.655 176.600 -0.031 0.000 1.048 624 K CA 1.369 57.642 56.287 -0.022 0.000 0.930 624 K CB -0.060 32.438 32.500 -0.003 0.000 0.716 624 K HN 0.283 nan 8.250 nan 0.000 0.444 625 A N 0.988 123.796 122.820 -0.019 0.000 2.015 625 A HA -0.090 4.281 4.320 0.084 0.000 0.219 625 A C 1.439 179.006 177.584 -0.028 0.000 1.163 625 A CA 1.256 53.282 52.037 -0.018 0.000 0.646 625 A CB -0.032 18.963 19.000 -0.007 0.000 0.806 625 A HN 0.158 nan 8.150 nan 0.000 0.448 626 K N -1.261 119.116 120.400 -0.039 0.000 2.399 626 K HA 0.236 4.607 4.320 0.084 0.000 0.204 626 K C 0.842 177.393 176.600 -0.082 0.000 1.023 626 K CA 0.540 56.799 56.287 -0.046 0.000 1.127 626 K CB 0.022 32.501 32.500 -0.035 0.000 0.856 626 K HN 0.689 nan 8.250 nan 0.000 0.514 627 G N 1.585 110.317 108.800 -0.112 0.000 2.221 627 G HA2 -0.232 3.778 3.960 0.084 0.000 0.265 627 G HA3 -0.232 3.778 3.960 0.084 0.000 0.265 627 G C 0.001 174.705 174.900 -0.328 0.000 1.041 627 G CA 0.239 45.219 45.100 -0.199 0.000 0.807 627 G HN 0.113 nan 8.290 nan 0.000 0.502 628 V N 2.062 121.826 119.914 -0.250 0.000 2.472 628 V HA 0.505 4.675 4.120 0.084 0.000 0.290 628 V C 0.633 176.592 176.094 -0.226 0.000 1.037 628 V CA -1.171 60.993 62.300 -0.226 0.000 0.908 628 V CB 1.404 33.178 31.823 -0.081 0.000 0.985 628 V HN 0.380 nan 8.190 nan 0.000 0.454 629 H N 2.294 121.377 119.070 0.022 0.000 2.495 629 H HA 0.791 5.397 4.556 0.084 0.000 0.350 629 H C 0.054 175.403 175.328 0.035 0.000 1.202 629 H CA -0.248 55.816 56.048 0.026 0.000 1.322 629 H CB 1.946 31.725 29.762 0.027 0.000 1.544 629 H HN 0.768 nan 8.280 nan 0.000 0.565 630 A N 1.202 124.124 122.820 0.170 0.000 2.401 630 A HA 0.504 4.874 4.320 0.084 0.000 0.310 630 A C -0.561 177.078 177.584 0.092 0.000 1.075 630 A CA -0.802 51.299 52.037 0.107 0.000 0.746 630 A CB 1.628 20.674 19.000 0.077 0.000 1.277 630 A HN 0.671 nan 8.150 nan 0.000 0.425 631 K N 2.829 123.277 120.400 0.080 0.000 2.502 631 K HA 0.572 4.942 4.320 0.084 0.000 0.254 631 K C -1.587 175.041 176.600 0.047 0.000 0.947 631 K CA -0.463 55.863 56.287 0.065 0.000 0.834 631 K CB 0.881 33.432 32.500 0.084 0.000 1.112 631 K HN 0.678 nan 8.250 nan 0.000 0.427 632 L N 6.508 127.749 121.223 0.031 0.000 2.315 632 L HA 0.335 4.725 4.340 0.084 0.000 0.283 632 L C -0.392 176.482 176.870 0.006 0.000 1.089 632 L CA -0.539 54.312 54.840 0.018 0.000 0.833 632 L CB 0.242 42.304 42.059 0.004 0.000 1.170 632 L HN 0.524 nan 8.230 nan 0.000 0.442 633 L N 3.859 125.087 121.223 0.010 0.000 2.330 633 L HA 0.597 4.987 4.340 0.084 0.000 0.271 633 L C -0.800 176.010 176.870 -0.100 0.000 1.013 633 L CA -0.760 54.041 54.840 -0.064 0.000 0.816 633 L CB 1.957 43.989 42.059 -0.045 0.000 1.287 633 L HN 0.390 nan 8.230 nan 0.000 0.435 634 Y N -0.541 119.359 120.300 -0.667 0.000 2.840 634 Y HA 0.173 4.773 4.550 0.084 0.000 0.324 634 Y C 0.830 176.047 175.900 -1.138 0.000 1.378 634 Y CA -0.796 56.842 58.100 -0.770 0.000 1.077 634 Y CB 1.596 39.889 38.460 -0.279 0.000 1.361 634 Y HN 0.564 nan 8.280 nan 0.000 0.459 635 S N 0.826 115.639 115.700 -1.478 0.000 2.561 635 S HA 0.197 4.718 4.470 0.084 0.000 0.225 635 S C 0.136 174.444 174.600 -0.486 0.000 0.977 635 S CA 0.561 58.270 58.200 -0.817 0.000 0.926 635 S CB -0.262 62.580 63.200 -0.596 0.000 0.769 635 S HN 0.634 nan 8.310 nan 0.000 0.533 636 R N -1.420 118.850 120.500 -0.384 0.000 2.766 636 R HA 0.616 5.007 4.340 0.084 0.000 0.270 636 R C -0.929 175.363 176.300 -0.014 0.000 1.035 636 R CA -1.131 54.894 56.100 -0.126 0.000 0.911 636 R CB 0.485 30.761 30.300 -0.040 0.000 1.243 636 R HN -0.047 nan 8.270 nan 0.000 0.460 637 M N 0.024 119.622 119.600 -0.003 0.000 2.363 637 M HA 0.565 5.095 4.480 0.084 0.000 0.280 637 M C 0.893 177.213 176.300 0.034 0.000 1.182 637 M CA 0.723 56.029 55.300 0.010 0.000 0.974 637 M CB 0.678 33.275 32.600 -0.005 0.000 1.452 637 M HN 1.059 nan 8.290 nan 0.000 0.507 638 G N 1.021 109.831 108.800 0.017 0.000 2.594 638 G HA2 -0.104 3.906 3.960 0.084 0.000 0.217 638 G HA3 -0.104 3.906 3.960 0.084 0.000 0.217 638 G C -1.053 173.844 174.900 -0.004 0.000 1.163 638 G CA -0.573 44.534 45.100 0.012 0.000 1.074 638 G HN 0.629 nan 8.290 nan 0.000 0.589 639 E N -1.148 119.041 120.200 -0.018 0.000 2.408 639 E HA 0.616 5.016 4.350 0.084 0.000 0.275 639 E C -0.567 175.973 176.600 -0.101 0.000 0.935 639 E CA -0.576 55.792 56.400 -0.054 0.000 0.775 639 E CB 2.984 32.661 29.700 -0.039 0.000 1.277 639 E HN 1.267 nan 8.360 nan 0.000 0.455 640 V N -1.814 118.003 119.914 -0.162 0.000 2.914 640 V HA 0.749 4.920 4.120 0.084 0.000 0.314 640 V C -0.570 175.439 176.094 -0.141 0.000 1.084 640 V CA -0.682 61.482 62.300 -0.227 0.000 0.963 640 V CB 1.936 33.482 31.823 -0.461 0.000 1.025 640 V HN 0.647 nan 8.190 nan 0.000 0.432 641 T N 2.627 117.114 114.554 -0.111 0.000 2.807 641 T HA 0.789 5.189 4.350 0.084 0.000 0.279 641 T C 0.285 174.944 174.700 -0.068 0.000 0.993 641 T CA 0.162 62.218 62.100 -0.073 0.000 0.970 641 T CB 1.453 70.291 68.868 -0.049 0.000 0.950 641 T HN 1.365 nan 8.240 nan 0.000 0.441 642 A N 2.352 125.138 122.820 -0.058 0.000 2.346 642 A HA 0.367 4.737 4.320 0.084 0.000 0.252 642 A C 1.614 179.178 177.584 -0.034 0.000 1.089 642 A CA -0.354 51.655 52.037 -0.047 0.000 0.797 642 A CB 0.040 19.015 19.000 -0.042 0.000 1.047 642 A HN 0.944 nan 8.150 nan 0.000 0.494 643 D N 0.654 121.037 120.400 -0.029 0.000 2.170 643 D HA -0.273 4.418 4.640 0.084 0.000 0.193 643 D C 0.864 177.152 176.300 -0.021 0.000 1.004 643 D CA 1.958 55.944 54.000 -0.022 0.000 0.860 643 D CB -0.456 40.331 40.800 -0.021 0.000 0.931 643 D HN 0.665 nan 8.370 nan 0.000 0.448 644 D N -1.042 119.345 120.400 -0.021 0.000 2.349 644 D HA 0.107 4.798 4.640 0.084 0.000 0.224 644 D C 1.706 177.995 176.300 -0.019 0.000 1.029 644 D CA 0.949 54.937 54.000 -0.019 0.000 0.879 644 D CB -0.106 40.682 40.800 -0.019 0.000 0.906 644 D HN 0.495 nan 8.370 nan 0.000 0.528 645 G N -0.380 108.407 108.800 -0.021 0.000 2.194 645 G HA2 -0.248 3.763 3.960 0.084 0.000 0.236 645 G HA3 -0.248 3.763 3.960 0.084 0.000 0.236 645 G C 0.408 175.294 174.900 -0.023 0.000 0.987 645 G CA 0.235 45.322 45.100 -0.021 0.000 0.635 645 G HN 0.441 nan 8.290 nan 0.000 0.520 646 T N 1.558 116.097 114.554 -0.025 0.000 2.853 646 T HA 0.414 4.815 4.350 0.084 0.000 0.298 646 T C 0.721 175.401 174.700 -0.033 0.000 0.978 646 T CA 0.081 62.166 62.100 -0.025 0.000 1.152 646 T CB 1.801 70.655 68.868 -0.024 0.000 0.914 646 T HN 0.396 nan 8.240 nan 0.000 0.539 647 V N 6.424 126.321 119.914 -0.030 0.000 2.455 647 V HA 0.244 4.414 4.120 0.084 0.000 0.273 647 V C 0.224 176.295 176.094 -0.039 0.000 1.045 647 V CA -0.253 62.026 62.300 -0.035 0.000 0.976 647 V CB 0.264 32.072 31.823 -0.026 0.000 0.993 647 V HN 0.653 nan 8.190 nan 0.000 0.475 648 L N 8.679 129.869 121.223 -0.056 0.000 2.305 648 L HA 0.498 4.888 4.340 0.084 0.000 0.284 648 L C -2.334 174.502 176.870 -0.057 0.000 1.013 648 L CA -1.807 53.000 54.840 -0.055 0.000 0.819 648 L CB 2.184 44.200 42.059 -0.073 0.000 1.227 648 L HN 0.425 nan 8.230 nan 0.000 0.417 649 P HA 0.255 nan 4.420 nan 0.000 0.285 649 P C -0.545 176.739 177.300 -0.027 0.000 1.259 649 P CA -0.184 62.900 63.100 -0.028 0.000 0.794 649 P CB 1.070 32.762 31.700 -0.014 0.000 0.940 650 I N 2.491 123.046 120.570 -0.024 0.000 2.352 650 I HA 0.163 4.384 4.170 0.084 0.000 0.290 650 I C 1.617 177.729 176.117 -0.009 0.000 1.036 650 I CA -0.354 60.937 61.300 -0.016 0.000 1.336 650 I CB 1.261 39.262 38.000 0.002 0.000 1.407 650 I HN 0.387 nan 8.210 nan 0.000 0.497 651 A N 5.519 128.336 122.820 -0.006 0.000 1.898 651 A HA 0.482 4.852 4.320 0.084 0.000 0.214 651 A C 1.016 178.600 177.584 -0.001 0.000 1.183 651 A CA 1.338 53.377 52.037 0.003 0.000 0.622 651 A CB 0.024 19.034 19.000 0.016 0.000 0.824 651 A HN 0.823 nan 8.150 nan 0.000 0.444 652 A N -2.285 120.525 122.820 -0.016 0.000 2.540 652 A HA 0.575 4.945 4.320 0.084 0.000 0.291 652 A C -0.055 177.472 177.584 -0.094 0.000 1.083 652 A CA 0.105 52.127 52.037 -0.026 0.000 0.650 652 A CB -0.269 18.739 19.000 0.015 0.000 1.292 652 A HN 0.795 nan 8.150 nan 0.000 0.435 653 T N -1.795 112.695 114.554 -0.107 0.000 2.847 653 T HA 0.563 4.963 4.350 0.084 0.000 0.279 653 T C 0.733 175.342 174.700 -0.152 0.000 0.984 653 T CA -0.067 61.888 62.100 -0.242 0.000 0.988 653 T CB 0.079 68.851 68.868 -0.161 0.000 1.040 653 T HN 0.497 nan 8.240 nan 0.000 0.528 654 F N 0.667 120.630 119.950 0.021 0.000 2.126 654 F HA 0.067 4.644 4.527 0.084 0.000 0.299 654 F C 2.876 178.813 175.800 0.228 0.000 1.096 654 F CA 1.248 59.307 58.000 0.100 0.000 1.255 654 F CB -1.448 37.589 39.000 0.061 0.000 0.997 654 F HN 0.749 nan 8.300 nan 0.000 0.479 655 A N 0.189 123.174 122.820 0.275 0.000 1.930 655 A HA 0.106 4.476 4.320 0.084 0.000 0.215 655 A C 2.573 180.228 177.584 0.118 0.000 1.176 655 A CA 1.357 53.502 52.037 0.181 0.000 0.632 655 A CB -1.514 17.548 19.000 0.104 0.000 0.819 655 A HN 0.382 nan 8.150 nan 0.000 0.445 656 G N -0.658 108.190 108.800 0.081 0.000 2.432 656 G HA2 0.220 4.230 3.960 0.084 0.000 0.219 656 G HA3 0.220 4.230 3.960 0.084 0.000 0.219 656 G C 0.661 175.606 174.900 0.074 0.000 1.135 656 G CA 1.097 46.228 45.100 0.051 0.000 0.767 656 G HN 1.163 nan 8.290 nan 0.000 0.550 657 A N 0.976 123.875 122.820 0.131 0.000 2.893 657 A HA 0.668 5.039 4.320 0.084 0.000 0.333 657 A C -2.556 175.181 177.584 0.255 0.000 1.152 657 A CA -1.197 50.930 52.037 0.150 0.000 0.782 657 A CB 1.366 20.450 19.000 0.141 0.000 1.108 657 A HN 0.130 nan 8.150 nan 0.000 0.469 658 P HA 0.033 nan 4.420 nan 0.000 0.271 658 P C 1.272 178.411 177.300 -0.268 0.000 1.233 658 P CA 0.382 63.435 63.100 -0.077 0.000 0.789 658 P CB 0.781 32.416 31.700 -0.108 0.000 0.951 659 S N 0.936 116.087 115.700 -0.916 0.000 2.440 659 S HA -0.180 4.341 4.470 0.084 0.000 0.240 659 S C 1.890 176.340 174.600 -0.250 0.000 1.014 659 S CA 1.129 58.958 58.200 -0.618 0.000 0.980 659 S CB -1.409 61.359 63.200 -0.721 0.000 0.775 659 S HN 0.385 nan 8.310 nan 0.000 0.499 660 L N 1.839 122.918 121.223 -0.242 0.000 2.129 660 L HA -0.102 4.288 4.340 0.084 0.000 0.212 660 L C 2.969 179.654 176.870 -0.309 0.000 1.087 660 L CA 1.653 56.342 54.840 -0.252 0.000 0.757 660 L CB -1.431 40.451 42.059 -0.295 0.000 0.896 660 L HN 0.643 nan 8.230 nan 0.000 0.434 661 T N -3.178 111.257 114.554 -0.199 0.000 3.129 661 T HA 0.219 4.619 4.350 0.084 0.000 0.251 661 T C 0.388 175.153 174.700 0.108 0.000 1.117 661 T CA 0.166 62.209 62.100 -0.096 0.000 1.034 661 T CB -0.387 68.521 68.868 0.067 0.000 0.968 661 T HN 0.158 nan 8.240 nan 0.000 0.526 662 V N -2.606 117.347 119.914 0.065 0.000 3.113 662 V HA 0.588 4.758 4.120 0.084 0.000 0.316 662 V C -0.138 175.997 176.094 0.068 0.000 1.125 662 V CA -0.949 61.420 62.300 0.114 0.000 1.026 662 V CB 2.114 34.022 31.823 0.142 0.000 1.080 662 V HN -0.004 nan 8.190 nan 0.000 0.444 663 D N 0.830 121.272 120.400 0.071 0.000 2.366 663 D HA 0.523 5.213 4.640 0.084 0.000 0.205 663 D C 0.530 176.814 176.300 -0.027 0.000 1.022 663 D CA 1.427 55.443 54.000 0.026 0.000 0.868 663 D CB 1.533 42.372 40.800 0.065 0.000 0.953 663 D HN 1.005 nan 8.370 nan 0.000 0.514 664 A N 0.019 122.841 122.820 0.004 0.000 2.586 664 A HA 0.530 4.901 4.320 0.084 0.000 0.291 664 A C -1.699 175.902 177.584 0.029 0.000 1.062 664 A CA -0.556 51.471 52.037 -0.017 0.000 0.666 664 A CB 1.365 20.342 19.000 -0.038 0.000 1.281 664 A HN -0.113 nan 8.150 nan 0.000 0.421 665 V N 1.023 120.946 119.914 0.015 0.000 2.638 665 V HA 0.563 4.734 4.120 0.084 0.000 0.306 665 V C -0.727 175.374 176.094 0.011 0.000 1.052 665 V CA -0.196 62.126 62.300 0.037 0.000 0.885 665 V CB 1.576 33.440 31.823 0.068 0.000 0.999 665 V HN 0.713 nan 8.190 nan 0.000 0.424 666 I N 4.130 124.716 120.570 0.028 0.000 2.474 666 I HA 0.580 4.800 4.170 0.084 0.000 0.294 666 I C -0.830 175.321 176.117 0.057 0.000 1.005 666 I CA -0.979 60.366 61.300 0.074 0.000 1.113 666 I CB 2.302 40.376 38.000 0.124 0.000 1.289 666 I HN 0.296 nan 8.210 nan 0.000 0.436 667 V N 7.331 127.299 119.914 0.090 0.000 2.349 667 V HA 0.333 4.503 4.120 0.084 0.000 0.284 667 V C -2.154 174.009 176.094 0.114 0.000 1.014 667 V CA -1.602 60.740 62.300 0.071 0.000 0.826 667 V CB 1.159 33.008 31.823 0.043 0.000 1.009 667 V HN 0.561 nan 8.190 nan 0.000 0.431 668 P HA 0.217 nan 4.420 nan 0.000 0.274 668 P C 0.148 177.470 177.300 0.035 0.000 1.246 668 P CA -0.234 62.884 63.100 0.031 0.000 0.795 668 P CB 1.176 32.884 31.700 0.013 0.000 1.006 669 C N 0.110 119.406 119.300 -0.007 0.000 2.574 669 C HA 0.780 5.291 4.460 0.084 0.000 0.335 669 C C 1.219 176.214 174.990 0.009 0.000 1.493 669 C CA 1.454 60.474 59.018 0.004 0.000 2.217 669 C CB -0.421 27.305 27.740 -0.024 0.000 2.056 669 C HN 0.927 nan 8.230 nan 0.000 0.607 670 G N 1.490 110.294 108.800 0.007 0.000 2.292 670 G HA2 0.006 4.016 3.960 0.084 0.000 0.194 670 G HA3 0.006 4.016 3.960 0.084 0.000 0.194 670 G C -0.963 173.945 174.900 0.013 0.000 1.329 670 G CA -0.007 45.097 45.100 0.007 0.000 1.100 670 G HN 0.895 nan 8.290 nan 0.000 0.470 671 N N 1.832 120.546 118.700 0.024 0.000 2.895 671 N HA 0.238 5.028 4.740 0.084 0.000 0.277 671 N C 1.683 177.220 175.510 0.045 0.000 1.185 671 N CA -0.393 52.673 53.050 0.027 0.000 1.106 671 N CB -0.258 38.250 38.487 0.034 0.000 1.422 671 N HN 0.400 nan 8.380 nan 0.000 0.521 672 I N 0.916 121.498 120.570 0.021 0.000 2.614 672 I HA -0.172 4.048 4.170 0.084 0.000 0.258 672 I C 1.980 178.085 176.117 -0.021 0.000 1.189 672 I CA 0.576 61.881 61.300 0.009 0.000 1.462 672 I CB -1.431 36.536 38.000 -0.054 0.000 1.092 672 I HN 0.471 nan 8.210 nan 0.000 0.442 673 A N 0.819 123.627 122.820 -0.021 0.000 1.978 673 A HA -0.275 4.095 4.320 0.084 0.000 0.220 673 A C 2.091 179.689 177.584 0.023 0.000 1.170 673 A CA 2.032 54.056 52.037 -0.020 0.000 0.636 673 A CB -0.682 18.309 19.000 -0.014 0.000 0.810 673 A HN 0.403 nan 8.150 nan 0.000 0.448 674 D N 0.361 120.798 120.400 0.063 0.000 2.133 674 D HA -0.170 4.521 4.640 0.084 0.000 0.195 674 D C 1.547 177.925 176.300 0.130 0.000 0.997 674 D CA 1.881 55.946 54.000 0.108 0.000 0.840 674 D CB -0.205 40.694 40.800 0.166 0.000 0.947 674 D HN 0.654 nan 8.370 nan 0.000 0.452 675 I N -4.013 116.650 120.570 0.156 0.000 4.139 675 I HA 0.483 4.703 4.170 0.084 0.000 0.335 675 I C 1.830 178.066 176.117 0.198 0.000 1.327 675 I CA -0.056 61.359 61.300 0.192 0.000 1.112 675 I CB 0.257 38.413 38.000 0.261 0.000 1.058 675 I HN -0.083 nan 8.210 nan 0.000 0.396 676 A N 1.503 124.362 122.820 0.065 0.000 1.969 676 A HA -0.108 4.262 4.320 0.084 0.000 0.218 676 A C 1.670 179.257 177.584 0.006 0.000 1.169 676 A CA 1.737 53.724 52.037 -0.083 0.000 0.635 676 A CB -0.446 18.405 19.000 -0.249 0.000 0.810 676 A HN 0.511 nan 8.150 nan 0.000 0.445 677 D N -0.374 120.040 120.400 0.023 0.000 2.349 677 D HA -0.002 4.688 4.640 0.084 0.000 0.214 677 D C 0.029 176.356 176.300 0.044 0.000 1.063 677 D CA -0.120 53.895 54.000 0.025 0.000 0.847 677 D CB -0.154 40.651 40.800 0.008 0.000 0.933 677 D HN 0.304 nan 8.370 nan 0.000 0.513 678 N N 1.330 120.069 118.700 0.066 0.000 2.405 678 N HA 0.023 4.814 4.740 0.084 0.000 0.260 678 N C 1.325 176.868 175.510 0.056 0.000 1.152 678 N CA 0.004 53.092 53.050 0.062 0.000 0.948 678 N CB 1.447 39.979 38.487 0.076 0.000 1.111 678 N HN -0.016 nan 8.380 nan 0.000 0.485 679 G N 3.189 112.021 108.800 0.053 0.000 2.442 679 G HA2 -0.246 3.764 3.960 0.084 0.000 0.219 679 G HA3 -0.246 3.764 3.960 0.084 0.000 0.219 679 G C 0.985 175.934 174.900 0.081 0.000 1.141 679 G CA 0.561 45.695 45.100 0.057 0.000 0.763 679 G HN 0.659 nan 8.290 nan 0.000 0.554 680 D N 1.151 121.606 120.400 0.091 0.000 2.144 680 D HA -0.064 4.626 4.640 0.084 0.000 0.200 680 D C 2.839 179.153 176.300 0.024 0.000 0.978 680 D CA 1.155 55.244 54.000 0.149 0.000 0.833 680 D CB -0.226 40.723 40.800 0.249 0.000 0.961 680 D HN 0.345 nan 8.370 nan 0.000 0.470 681 A N 1.714 124.390 122.820 -0.241 0.000 1.902 681 A HA -0.186 4.184 4.320 0.084 0.000 0.217 681 A C 2.033 179.414 177.584 -0.339 0.000 1.181 681 A CA 1.203 52.859 52.037 -0.635 0.000 0.623 681 A CB -0.445 18.156 19.000 -0.666 0.000 0.818 681 A HN 0.156 nan 8.150 nan 0.000 0.443 682 N N -1.555 117.088 118.700 -0.096 0.000 2.142 682 N HA -0.168 4.623 4.740 0.084 0.000 0.186 682 N C 1.718 177.215 175.510 -0.022 0.000 1.023 682 N CA 1.682 54.720 53.050 -0.020 0.000 0.852 682 N CB -0.453 38.091 38.487 0.095 0.000 0.998 682 N HN 0.602 nan 8.380 nan 0.000 0.424 683 Y N 1.116 121.383 120.300 -0.054 0.000 2.207 683 Y HA -0.257 4.344 4.550 0.084 0.000 0.287 683 Y C 2.299 178.161 175.900 -0.063 0.000 1.156 683 Y CA 1.236 59.305 58.100 -0.051 0.000 1.182 683 Y CB -0.707 37.733 38.460 -0.034 0.000 0.979 683 Y HN 0.056 nan 8.280 nan 0.000 0.521 684 Y N -0.013 120.157 120.300 -0.217 0.000 2.165 684 Y HA -0.290 4.310 4.550 0.084 0.000 0.286 684 Y C 2.150 177.852 175.900 -0.331 0.000 1.155 684 Y CA 2.159 60.099 58.100 -0.267 0.000 1.164 684 Y CB -0.429 37.889 38.460 -0.237 0.000 0.978 684 Y HN 0.135 nan 8.280 nan 0.000 0.513 685 L N -1.366 119.778 121.223 -0.130 0.000 2.179 685 L HA -0.199 4.192 4.340 0.084 0.000 0.208 685 L C 2.367 179.122 176.870 -0.192 0.000 1.096 685 L CA 1.006 55.754 54.840 -0.154 0.000 0.779 685 L CB -0.439 41.490 42.059 -0.217 0.000 0.922 685 L HN 0.244 nan 8.230 nan 0.000 0.443 686 M N -0.494 118.942 119.600 -0.274 0.000 2.117 686 M HA -0.219 4.312 4.480 0.084 0.000 0.262 686 M C 2.267 178.339 176.300 -0.380 0.000 1.065 686 M CA 1.694 56.830 55.300 -0.273 0.000 1.114 686 M CB -0.254 32.194 32.600 -0.253 0.000 1.361 686 M HN 0.209 nan 8.290 nan 0.000 0.408 687 E N 0.392 120.189 120.200 -0.672 0.000 2.028 687 E HA -0.190 4.210 4.350 0.084 0.000 0.191 687 E C 1.980 178.232 176.600 -0.579 0.000 0.988 687 E CA 1.317 57.274 56.400 -0.738 0.000 0.799 687 E CB -0.016 29.175 29.700 -0.849 0.000 0.755 687 E HN 0.471 nan 8.360 nan 0.000 0.447 688 A N 0.274 122.867 122.820 -0.378 0.000 1.940 688 A HA -0.217 4.154 4.320 0.084 0.000 0.219 688 A C 2.044 179.528 177.584 -0.167 0.000 1.176 688 A CA 1.555 53.461 52.037 -0.219 0.000 0.631 688 A CB -0.918 18.008 19.000 -0.122 0.000 0.814 688 A HN 0.581 nan 8.150 nan 0.000 0.446 689 Y N 0.468 120.612 120.300 -0.261 0.000 2.163 689 Y HA -0.199 4.401 4.550 0.084 0.000 0.288 689 Y C 2.399 178.172 175.900 -0.212 0.000 1.136 689 Y CA 2.346 60.323 58.100 -0.205 0.000 1.147 689 Y CB -0.259 38.096 38.460 -0.174 0.000 0.987 689 Y HN 0.307 nan 8.280 nan 0.000 0.509 690 K N -0.532 119.767 120.400 -0.169 0.000 2.074 690 K HA -0.253 4.118 4.320 0.084 0.000 0.209 690 K C 1.203 177.668 176.600 -0.225 0.000 1.048 690 K CA 2.181 58.328 56.287 -0.235 0.000 0.926 690 K CB -0.471 31.816 32.500 -0.354 0.000 0.713 690 K HN 0.601 nan 8.250 nan 0.000 0.444 691 H N 0.228 119.186 119.070 -0.186 0.000 2.547 691 H HA 0.168 4.775 4.556 0.084 0.000 0.274 691 H C 0.056 175.227 175.328 -0.262 0.000 1.024 691 H CA 0.274 56.205 56.048 -0.196 0.000 1.155 691 H CB 0.087 29.730 29.762 -0.199 0.000 1.344 691 H HN 0.136 nan 8.280 nan 0.000 0.598 692 L N -0.177 120.899 121.223 -0.246 0.000 4.351 692 L HA -0.271 4.119 4.340 0.084 0.000 0.410 692 L C -0.397 176.218 176.870 -0.426 0.000 1.150 692 L CA 0.566 55.172 54.840 -0.390 0.000 0.961 692 L CB -1.677 40.132 42.059 -0.417 0.000 2.130 692 L HN 0.300 nan 8.230 nan 0.000 0.787 693 K N 0.837 121.052 120.400 -0.309 0.000 2.143 693 K HA 0.490 4.861 4.320 0.084 0.000 0.272 693 K C -2.172 174.295 176.600 -0.222 0.000 1.001 693 K CA -1.768 54.358 56.287 -0.269 0.000 0.915 693 K CB 0.782 33.176 32.500 -0.177 0.000 1.047 693 K HN -0.208 nan 8.250 nan 0.000 0.458 694 P HA 0.069 nan 4.420 nan 0.000 0.268 694 P C -0.752 176.480 177.300 -0.113 0.000 1.205 694 P CA 0.263 63.260 63.100 -0.171 0.000 0.771 694 P CB 0.469 32.066 31.700 -0.172 0.000 0.858 695 I N 1.578 122.094 120.570 -0.089 0.000 2.608 695 I HA 0.643 4.863 4.170 0.084 0.000 0.295 695 I C -0.375 175.690 176.117 -0.087 0.000 1.049 695 I CA -0.869 60.397 61.300 -0.055 0.000 1.063 695 I CB 2.242 40.237 38.000 -0.008 0.000 1.248 695 I HN 0.262 nan 8.210 nan 0.000 0.424 696 A N 7.413 130.189 122.820 -0.073 0.000 2.353 696 A HA 0.851 5.222 4.320 0.084 0.000 0.299 696 A C -1.183 176.480 177.584 0.132 0.000 1.089 696 A CA -0.403 51.555 52.037 -0.132 0.000 0.736 696 A CB 0.907 19.665 19.000 -0.404 0.000 1.195 696 A HN 0.636 nan 8.150 nan 0.000 0.447 697 L N 2.104 123.453 121.223 0.211 0.000 2.341 697 L HA 0.792 5.183 4.340 0.084 0.000 0.278 697 L C 0.311 177.397 176.870 0.361 0.000 1.005 697 L CA -0.587 54.413 54.840 0.266 0.000 0.818 697 L CB 2.054 44.222 42.059 0.182 0.000 1.259 697 L HN 0.771 nan 8.230 nan 0.000 0.418 698 A N 1.980 124.930 122.820 0.217 0.000 2.337 698 A HA 0.859 5.229 4.320 0.084 0.000 0.329 698 A C 0.599 178.190 177.584 0.010 0.000 1.146 698 A CA 0.205 52.257 52.037 0.025 0.000 0.800 698 A CB 1.257 20.088 19.000 -0.282 0.000 1.220 698 A HN 0.974 nan 8.150 nan 0.000 0.472 699 G N 1.606 110.398 108.800 -0.013 0.000 2.651 699 G HA2 -0.357 3.654 3.960 0.084 0.000 0.315 699 G HA3 -0.357 3.654 3.960 0.084 0.000 0.315 699 G C 0.528 175.431 174.900 0.004 0.000 1.258 699 G CA 0.955 46.048 45.100 -0.013 0.000 1.002 699 G HN 0.729 nan 8.290 nan 0.000 0.551 700 D N 1.396 121.791 120.400 -0.008 0.000 2.350 700 D HA 0.198 4.889 4.640 0.084 0.000 0.216 700 D C 2.583 178.867 176.300 -0.026 0.000 0.968 700 D CA 1.444 55.428 54.000 -0.026 0.000 0.894 700 D CB -0.635 40.143 40.800 -0.037 0.000 0.909 700 D HN 0.742 nan 8.370 nan 0.000 0.520 701 A N 0.654 123.502 122.820 0.047 0.000 2.070 701 A HA -0.169 4.201 4.320 0.084 0.000 0.220 701 A C 2.059 179.741 177.584 0.162 0.000 1.159 701 A CA 0.783 52.918 52.037 0.164 0.000 0.656 701 A CB -0.388 18.744 19.000 0.221 0.000 0.800 701 A HN 0.131 nan 8.150 nan 0.000 0.453 702 R N -0.297 120.251 120.500 0.080 0.000 2.293 702 R HA -0.058 4.333 4.340 0.084 0.000 0.219 702 R C 1.551 177.853 176.300 0.004 0.000 1.091 702 R CA 0.828 56.964 56.100 0.061 0.000 1.004 702 R CB -0.073 30.254 30.300 0.045 0.000 0.865 702 R HN 0.359 nan 8.270 nan 0.000 0.469 703 K N -0.068 120.282 120.400 -0.084 0.000 2.209 703 K HA -0.119 4.252 4.320 0.084 0.000 0.204 703 K C 1.464 177.954 176.600 -0.184 0.000 1.048 703 K CA 1.140 57.324 56.287 -0.172 0.000 0.940 703 K CB -0.121 32.215 32.500 -0.274 0.000 0.729 703 K HN 0.175 nan 8.250 nan 0.000 0.451 704 F N 1.757 121.684 119.950 -0.039 0.000 2.546 704 F HA -0.073 4.505 4.527 0.084 0.000 0.298 704 F C 2.016 177.770 175.800 -0.076 0.000 1.120 704 F CA 0.858 58.824 58.000 -0.058 0.000 1.456 704 F CB -0.257 38.708 39.000 -0.059 0.000 1.088 704 F HN -0.032 nan 8.300 nan 0.000 0.572 705 K N 0.104 120.550 120.400 0.076 0.000 2.152 705 K HA -0.190 4.180 4.320 0.084 0.000 0.206 705 K C 2.348 178.922 176.600 -0.043 0.000 1.048 705 K CA 1.128 57.413 56.287 -0.002 0.000 0.933 705 K CB -0.406 32.090 32.500 -0.006 0.000 0.721 705 K HN 0.267 nan 8.250 nan 0.000 0.447 706 A N 0.937 123.738 122.820 -0.031 0.000 1.902 706 A HA -0.166 4.204 4.320 0.084 0.000 0.217 706 A C 2.178 179.734 177.584 -0.047 0.000 1.181 706 A CA 2.075 54.087 52.037 -0.042 0.000 0.623 706 A CB -0.951 18.026 19.000 -0.039 0.000 0.818 706 A HN 0.284 nan 8.150 nan 0.000 0.443 707 T N 0.922 115.464 114.554 -0.021 0.000 2.759 707 T HA -0.122 4.279 4.350 0.084 0.000 0.269 707 T C 1.468 176.105 174.700 -0.106 0.000 1.042 707 T CA 1.579 63.665 62.100 -0.024 0.000 1.140 707 T CB -0.566 68.326 68.868 0.041 0.000 0.864 707 T HN 0.726 nan 8.240 nan 0.000 0.455 708 I N -1.848 118.609 120.570 -0.188 0.000 3.855 708 I HA 0.486 4.706 4.170 0.084 0.000 0.327 708 I C 0.254 176.129 176.117 -0.403 0.000 1.359 708 I CA -0.569 60.482 61.300 -0.414 0.000 1.142 708 I CB -0.276 37.331 38.000 -0.656 0.000 1.041 708 I HN -0.133 nan 8.210 nan 0.000 0.403 709 K N 1.455 121.732 120.400 -0.205 0.000 3.264 709 K HA -0.151 4.219 4.320 0.084 0.000 0.267 709 K C -0.585 175.945 176.600 -0.117 0.000 0.886 709 K CA 0.584 56.796 56.287 -0.125 0.000 0.665 709 K CB -1.349 31.101 32.500 -0.083 0.000 1.447 709 K HN 0.698 nan 8.250 nan 0.000 0.464 710 I N -0.705 119.786 120.570 -0.131 0.000 2.957 710 I HA 0.546 4.766 4.170 0.084 0.000 0.310 710 I C -0.117 175.980 176.117 -0.034 0.000 1.063 710 I CA -0.571 60.690 61.300 -0.064 0.000 1.033 710 I CB 1.535 39.512 38.000 -0.039 0.000 1.230 710 I HN 0.229 nan 8.210 nan 0.000 0.447 711 A N 3.136 125.950 122.820 -0.010 0.000 2.641 711 A HA -0.150 4.220 4.320 0.084 0.000 0.228 711 A C 0.612 178.193 177.584 -0.006 0.000 1.049 711 A CA 1.110 53.145 52.037 -0.004 0.000 0.779 711 A CB -0.393 18.610 19.000 0.005 0.000 0.947 711 A HN 0.868 nan 8.150 nan 0.000 0.498 712 D N 0.057 120.454 120.400 -0.005 0.000 2.144 712 D HA -0.125 4.565 4.640 0.084 0.000 0.200 712 D C 1.752 178.052 176.300 -0.000 0.000 0.978 712 D CA 1.380 55.377 54.000 -0.005 0.000 0.833 712 D CB 0.092 40.888 40.800 -0.006 0.000 0.961 712 D HN 0.660 nan 8.370 nan 0.000 0.470 713 Q N 0.466 120.268 119.800 0.002 0.000 2.408 713 Q HA 0.150 4.541 4.340 0.084 0.000 0.205 713 Q C 0.580 176.585 176.000 0.007 0.000 0.919 713 Q CA 0.682 56.488 55.803 0.005 0.000 0.932 713 Q CB 0.458 29.199 28.738 0.005 0.000 1.058 713 Q HN 0.264 nan 8.270 nan 0.000 0.517 714 G N 1.128 109.933 108.800 0.007 0.000 2.434 714 G HA2 -0.149 3.862 3.960 0.084 0.000 0.671 714 G HA3 -0.149 3.862 3.960 0.084 0.000 0.671 714 G C -1.444 173.464 174.900 0.012 0.000 1.280 714 G CA -0.218 44.887 45.100 0.010 0.000 0.975 714 G HN 0.229 nan 8.290 nan 0.000 0.510 715 E N -0.643 119.565 120.200 0.013 0.000 2.378 715 E HA 0.453 4.853 4.350 0.084 0.000 0.283 715 E C -0.676 175.923 176.600 -0.001 0.000 0.979 715 E CA -0.584 55.826 56.400 0.016 0.000 0.795 715 E CB 1.295 31.023 29.700 0.047 0.000 1.221 715 E HN 0.592 nan 8.360 nan 0.000 0.428 716 E N 1.385 121.576 120.200 -0.014 0.000 2.417 716 E HA 0.325 4.725 4.350 0.084 0.000 0.261 716 E C 0.681 177.243 176.600 -0.063 0.000 1.000 716 E CA 1.562 57.938 56.400 -0.039 0.000 0.919 716 E CB 0.751 30.428 29.700 -0.039 0.000 0.955 716 E HN 0.798 nan 8.360 nan 0.000 0.455 717 G N 3.274 112.024 108.800 -0.085 0.000 2.253 717 G HA2 -0.178 3.832 3.960 0.084 0.000 0.209 717 G HA3 -0.178 3.832 3.960 0.084 0.000 0.209 717 G C -0.058 174.790 174.900 -0.086 0.000 0.997 717 G CA -0.607 44.422 45.100 -0.118 0.000 0.640 717 G HN 0.406 nan 8.290 nan 0.000 0.496 718 I N 2.392 122.933 120.570 -0.048 0.000 2.382 718 I HA 0.483 4.704 4.170 0.084 0.000 0.285 718 I C 0.400 176.475 176.117 -0.070 0.000 1.007 718 I CA -1.288 59.991 61.300 -0.034 0.000 1.142 718 I CB 1.189 39.202 38.000 0.021 0.000 1.289 718 I HN -0.094 nan 8.210 nan 0.000 0.453 719 V N 7.440 127.269 119.914 -0.142 0.000 2.461 719 V HA 0.384 4.555 4.120 0.084 0.000 0.275 719 V C 0.284 176.299 176.094 -0.131 0.000 1.047 719 V CA -0.388 61.776 62.300 -0.227 0.000 0.955 719 V CB 1.065 32.594 31.823 -0.490 0.000 0.988 719 V HN 0.869 nan 8.190 nan 0.000 0.471 720 E N 4.260 124.465 120.200 0.009 0.000 2.366 720 E HA 0.886 5.287 4.350 0.084 0.000 0.278 720 E C -0.961 175.775 176.600 0.227 0.000 0.923 720 E CA -0.959 55.544 56.400 0.171 0.000 0.761 720 E CB 2.568 32.328 29.700 0.099 0.000 1.231 720 E HN 0.807 nan 8.360 nan 0.000 0.443 721 A N 1.677 124.658 122.820 0.269 0.000 2.540 721 A HA 0.342 4.712 4.320 0.084 0.000 0.291 721 A C -0.617 177.005 177.584 0.063 0.000 1.083 721 A CA -0.581 51.557 52.037 0.167 0.000 0.650 721 A CB 1.033 20.167 19.000 0.223 0.000 1.292 721 A HN 0.616 nan 8.150 nan 0.000 0.435 722 D N 0.375 120.782 120.400 0.013 0.000 2.183 722 D HA 0.068 4.758 4.640 0.084 0.000 0.203 722 D C 0.975 177.229 176.300 -0.077 0.000 0.969 722 D CA 2.180 56.167 54.000 -0.022 0.000 0.842 722 D CB 0.169 40.958 40.800 -0.020 0.000 0.957 722 D HN 0.779 nan 8.370 nan 0.000 0.484 723 S N -1.339 114.280 115.700 -0.135 0.000 2.607 723 S HA 0.643 5.164 4.470 0.084 0.000 0.273 723 S C -1.022 173.297 174.600 -0.468 0.000 1.148 723 S CA -0.868 57.193 58.200 -0.232 0.000 0.833 723 S CB 2.178 65.290 63.200 -0.147 0.000 1.130 723 S HN -0.009 nan 8.310 nan 0.000 0.470 724 A N 2.080 124.536 122.820 -0.606 0.000 2.807 724 A HA 0.572 4.942 4.320 0.084 0.000 0.307 724 A C 0.060 177.445 177.584 -0.332 0.000 1.532 724 A CA -0.177 51.312 52.037 -0.913 0.000 1.215 724 A CB -1.490 17.065 19.000 -0.742 0.000 1.127 724 A HN 0.911 nan 8.150 nan 0.000 0.543 725 D N 0.588 120.886 120.400 -0.170 0.000 2.720 725 D HA 0.581 5.272 4.640 0.084 0.000 0.232 725 D C 1.439 177.771 176.300 0.054 0.000 1.173 725 D CA 0.143 54.122 54.000 -0.034 0.000 1.082 725 D CB -0.397 40.386 40.800 -0.029 0.000 1.235 725 D HN 0.209 nan 8.370 nan 0.000 0.636 726 G N -0.131 108.693 108.800 0.040 0.000 2.896 726 G HA2 -0.391 3.620 3.960 0.084 0.000 0.225 726 G HA3 -0.391 3.620 3.960 0.084 0.000 0.225 726 G C 1.512 176.459 174.900 0.080 0.000 1.265 726 G CA 2.940 48.070 45.100 0.051 0.000 0.778 726 G HN 0.816 nan 8.290 nan 0.000 0.714 727 S N -0.264 115.486 115.700 0.083 0.000 2.481 727 S HA 0.027 4.548 4.470 0.084 0.000 0.231 727 S C 2.091 176.767 174.600 0.125 0.000 0.996 727 S CA 1.291 59.540 58.200 0.082 0.000 0.942 727 S CB -0.327 62.907 63.200 0.057 0.000 0.768 727 S HN 0.450 nan 8.310 nan 0.000 0.520 728 F N 2.408 122.356 119.950 -0.002 0.000 2.095 728 F HA -0.014 4.564 4.527 0.084 0.000 0.298 728 F C 2.186 177.984 175.800 -0.004 0.000 1.104 728 F CA 1.657 59.656 58.000 -0.003 0.000 1.232 728 F CB -0.305 38.695 39.000 -0.001 0.000 0.987 728 F HN 0.155 nan 8.300 nan 0.000 0.475 729 M N 0.206 119.982 119.600 0.294 0.000 2.254 729 M HA -0.144 4.386 4.480 0.084 0.000 0.265 729 M C 1.738 178.057 176.300 0.031 0.000 1.066 729 M CA 1.250 56.642 55.300 0.153 0.000 1.123 729 M CB -1.345 31.354 32.600 0.164 0.000 1.388 729 M HN 0.126 nan 8.290 nan 0.000 0.425 730 D N 0.449 120.870 120.400 0.034 0.000 2.117 730 D HA -0.134 4.557 4.640 0.084 0.000 0.197 730 D C 1.985 178.268 176.300 -0.029 0.000 0.987 730 D CA 1.103 55.106 54.000 0.005 0.000 0.829 730 D CB -0.099 40.711 40.800 0.015 0.000 0.961 730 D HN 0.466 nan 8.370 nan 0.000 0.460 731 E N 0.298 120.467 120.200 -0.053 0.000 2.077 731 E HA -0.123 4.278 4.350 0.084 0.000 0.193 731 E C 2.114 178.635 176.600 -0.130 0.000 0.989 731 E CA 0.220 56.566 56.400 -0.091 0.000 0.800 731 E CB -0.049 29.578 29.700 -0.121 0.000 0.746 731 E HN 0.163 nan 8.360 nan 0.000 0.452 732 L N 1.129 122.242 121.223 -0.182 0.000 2.017 732 L HA -0.168 4.223 4.340 0.084 0.000 0.208 732 L C 2.159 178.966 176.870 -0.106 0.000 1.073 732 L CA 1.554 56.282 54.840 -0.186 0.000 0.745 732 L CB -0.499 41.417 42.059 -0.238 0.000 0.894 732 L HN 0.231 nan 8.230 nan 0.000 0.432 733 L N -0.437 120.745 121.223 -0.068 0.000 2.131 733 L HA -0.206 4.184 4.340 0.084 0.000 0.210 733 L C 2.450 179.297 176.870 -0.038 0.000 1.092 733 L CA 1.561 56.377 54.840 -0.040 0.000 0.759 733 L CB -0.722 41.325 42.059 -0.020 0.000 0.903 733 L HN 0.259 nan 8.230 nan 0.000 0.435 734 T N 0.027 114.555 114.554 -0.043 0.000 2.821 734 T HA -0.100 4.301 4.350 0.084 0.000 0.267 734 T C 1.942 176.612 174.700 -0.050 0.000 1.046 734 T CA 1.045 63.124 62.100 -0.035 0.000 1.139 734 T CB -0.143 68.706 68.868 -0.032 0.000 0.871 734 T HN 0.194 nan 8.240 nan 0.000 0.454 735 L N 0.188 121.363 121.223 -0.081 0.000 2.093 735 L HA -0.022 4.368 4.340 0.084 0.000 0.208 735 L C 2.653 179.458 176.870 -0.108 0.000 1.085 735 L CA 1.188 55.960 54.840 -0.113 0.000 0.755 735 L CB -0.539 41.432 42.059 -0.146 0.000 0.904 735 L HN 0.286 nan 8.230 nan 0.000 0.435 736 M N -0.601 118.952 119.600 -0.078 0.000 2.175 736 M HA -0.150 4.380 4.480 0.084 0.000 0.264 736 M C 2.477 178.777 176.300 0.000 0.000 1.063 736 M CA 1.641 56.912 55.300 -0.048 0.000 1.119 736 M CB -0.429 32.153 32.600 -0.030 0.000 1.377 736 M HN 0.310 nan 8.290 nan 0.000 0.415 737 A N 0.268 123.090 122.820 0.004 0.000 2.019 737 A HA -0.013 4.357 4.320 0.084 0.000 0.219 737 A C 2.141 179.765 177.584 0.067 0.000 1.164 737 A CA 1.759 53.818 52.037 0.036 0.000 0.644 737 A CB -0.684 18.332 19.000 0.026 0.000 0.805 737 A HN 0.512 nan 8.150 nan 0.000 0.449 738 A N -2.742 120.097 122.820 0.032 0.000 2.251 738 A HA 0.342 4.713 4.320 0.084 0.000 0.209 738 A C 0.952 178.562 177.584 0.044 0.000 1.187 738 A CA 1.291 53.357 52.037 0.048 0.000 0.823 738 A CB -0.460 18.521 19.000 -0.032 0.000 0.846 738 A HN 0.952 nan 8.150 nan 0.000 0.486 739 H N -1.332 117.683 119.070 -0.092 0.000 4.803 739 H HA -0.190 4.416 4.556 0.084 0.000 0.060 739 H C 0.067 175.182 175.328 -0.356 0.000 0.602 739 H CA 2.375 58.349 56.048 -0.122 0.000 0.950 739 H CB -0.586 29.211 29.762 0.059 0.000 0.516 739 H HN 0.453 nan 8.280 nan 0.000 0.809 740 R N -0.231 119.718 120.500 -0.919 0.000 2.867 740 R HA 0.623 5.013 4.340 0.084 0.000 0.268 740 R C -0.644 174.820 176.300 -1.393 0.000 1.014 740 R CA -0.324 55.001 56.100 -1.292 0.000 0.946 740 R CB 1.689 30.918 30.300 -1.785 0.000 1.208 740 R HN 0.102 nan 8.270 nan 0.000 0.477 741 V N 2.400 121.714 119.914 -0.999 0.000 2.221 741 V HA 0.107 4.277 4.120 0.084 0.000 0.258 741 V C 0.619 176.354 176.094 -0.599 0.000 1.179 741 V CA -0.388 61.505 62.300 -0.678 0.000 1.022 741 V CB -0.260 31.296 31.823 -0.446 0.000 1.228 741 V HN 0.709 nan 8.190 nan 0.000 0.487 742 W N 1.585 122.614 121.300 -0.452 0.000 2.392 742 W HA -0.163 4.547 4.660 0.084 0.000 0.279 742 W C 2.505 178.808 176.519 -0.359 0.000 1.225 742 W CA 0.785 57.768 57.345 -0.603 0.000 1.233 742 W CB -0.401 28.320 29.460 -1.232 0.000 1.122 742 W HN 0.647 nan 8.180 nan 0.000 0.561 743 S N 0.765 116.424 115.700 -0.069 0.000 2.469 743 S HA -0.182 4.339 4.470 0.084 0.000 0.238 743 S C 1.678 176.242 174.600 -0.059 0.000 0.998 743 S CA 0.971 59.147 58.200 -0.040 0.000 0.957 743 S CB -0.457 62.719 63.200 -0.039 0.000 0.764 743 S HN 0.403 nan 8.310 nan 0.000 0.514 744 R N 0.644 121.068 120.500 -0.127 0.000 2.313 744 R HA 0.267 4.658 4.340 0.084 0.000 0.199 744 R C 1.664 177.901 176.300 -0.106 0.000 0.958 744 R CA 0.192 56.197 56.100 -0.159 0.000 1.047 744 R CB -0.372 29.714 30.300 -0.356 0.000 0.955 744 R HN 0.479 nan 8.270 nan 0.000 0.481 745 I N 2.162 122.712 120.570 -0.034 0.000 2.118 745 I HA -0.239 3.981 4.170 0.084 0.000 0.241 745 I C -0.708 175.439 176.117 0.049 0.000 1.070 745 I CA 1.390 62.713 61.300 0.038 0.000 1.327 745 I CB -0.985 37.082 38.000 0.112 0.000 1.034 745 I HN 0.170 nan 8.210 nan 0.000 0.405 746 P HA -0.165 nan 4.420 nan 0.000 0.219 746 P C 1.183 178.518 177.300 0.057 0.000 1.146 746 P CA 1.575 64.708 63.100 0.055 0.000 0.808 746 P CB -0.086 31.643 31.700 0.049 0.000 0.779 747 K N -0.168 120.265 120.400 0.055 0.000 2.305 747 K HA 0.055 4.425 4.320 0.084 0.000 0.199 747 K C 2.146 178.824 176.600 0.131 0.000 1.047 747 K CA 0.613 56.957 56.287 0.096 0.000 0.976 747 K CB -0.469 32.113 32.500 0.137 0.000 0.765 747 K HN 0.268 nan 8.250 nan 0.000 0.474 748 I N -1.246 119.373 120.570 0.083 0.000 2.676 748 I HA -0.124 4.096 4.170 0.084 0.000 0.259 748 I C 0.856 177.026 176.117 0.087 0.000 1.194 748 I CA 1.324 62.679 61.300 0.091 0.000 1.473 748 I CB -0.080 37.918 38.000 -0.003 0.000 1.096 748 I HN -0.014 nan 8.210 nan 0.000 0.443 749 D N 1.793 122.241 120.400 0.080 0.000 2.312 749 D HA -0.121 4.570 4.640 0.084 0.000 0.211 749 D C 1.719 178.060 176.300 0.067 0.000 0.964 749 D CA 0.778 54.824 54.000 0.075 0.000 0.877 749 D CB 0.031 40.878 40.800 0.079 0.000 0.924 749 D HN 0.492 nan 8.370 nan 0.000 0.515 750 K N 0.958 121.398 120.400 0.067 0.000 2.426 750 K HA 0.061 4.432 4.320 0.084 0.000 0.193 750 K C 0.852 177.478 176.600 0.044 0.000 1.028 750 K CA -0.074 56.244 56.287 0.052 0.000 1.047 750 K CB 0.349 32.876 32.500 0.045 0.000 0.821 750 K HN 0.240 nan 8.250 nan 0.000 0.513 751 I N 0.457 121.059 120.570 0.054 0.000 2.365 751 I HA 0.297 4.517 4.170 0.084 0.000 0.291 751 I C -2.302 173.839 176.117 0.041 0.000 1.004 751 I CA -2.315 59.007 61.300 0.037 0.000 1.311 751 I CB 1.043 39.061 38.000 0.030 0.000 1.401 751 I HN -0.170 nan 8.210 nan 0.000 0.491 752 P HA 0.404 nan 4.420 nan 0.000 0.247 752 P C -0.607 176.745 177.300 0.088 0.000 1.756 752 P CA 0.147 63.279 63.100 0.054 0.000 1.117 752 P CB 0.461 32.187 31.700 0.043 0.000 1.869 753 A N 0.000 122.872 122.820 0.087 0.000 2.254 753 A HA 0.000 4.370 4.320 0.084 0.000 0.244 753 A CA 0.000 52.124 52.037 0.146 0.000 0.836 753 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486